data_r8pz0sf
# 
_audit.revision_id     1_0 
_audit.creation_date   2023-11-15 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      8pz0 
_cell.length_a      181.9500 
_cell.length_b      181.9500 
_cell.length_c      87.4300 
_cell.angle_alpha   90.0000 
_cell.angle_beta    90.0000 
_cell.angle_gamma   120.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.97951 
# 
_entry.id   8pz0 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               8pz0 
_symmetry.space_group_name_H-M   "P 63 2 2" 
_symmetry.Int_Tables_number      182 
# 
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 
1 1 1 0  0  2  o 123.713  2.9621    16063.6      731.952  16063.6      731.952  16063.6      731.952  125.185  2.06848   ?        ?         
1 1 1 0  0  3  o 0.348868 0.221653  0.0520528    0.327901 0.0520528    0.327901 0.0520528    0.327901 0.300023 0.188724  ?        ?         
1 1 1 0  0  4  o 77.7181  2.62875   6323.27      407.543  6323.27      407.543  6323.27      407.543  78.5983  1.83549   ?        ?         
1 1 1 0  0  5  o 0.358186 0.239539  -0.126889    0.456126 -0.126889    0.456126 -0.126889    0.456126 0.291282 0.196737  ?        ?         
1 1 1 0  0  6  o 44.8378  1.03634   2031.99      92.822   2031.99      92.822   2031.99      92.822   44.9556  0.730433  ?        ?         
1 1 1 0  0  7  o 0.780728 0.362609  0.89362      0.623217 0.89362      0.623217 0.89362      0.623217 0.822166 0.294165  ?        ?         
1 1 1 0  0  8  o 7.84098  0.199205  61.625       3.11937  61.625       3.11937  61.625       3.11937  7.84557  0.140674  ?        ?         
1 1 1 0  0  9  o 0.412413 0.287779  -0.689425    0.821496 -0.689425    0.821496 -0.689425    0.821496 0.319372 0.227562  ?        ?         
1 1 1 0  0  10 o 65.9577  1.55113   4480.82      204.362  4480.82      204.362  4480.82      204.362  66.4463  1.08805   ?        ?         
1 1 1 0  0  11 o 0.398245 0.286586  -1.36827     0.986702 -1.36827     0.986702 -1.36827     0.986702 0.299509 0.219236  ?        ?         
1 1 1 0  0  12 o 1.0575   0.562494  1.62916      1.59106  1.62916      1.59106  1.62916      1.59106  1.05406  0.487325  ?        ?         
1 1 1 0  0  13 o 0.647261 0.418503  0.0418697    1.22975  0.0418697    1.22975  0.0418697    1.22975  0.546994 0.353061  ?        ?         
1 1 1 0  0  14 o 13.4924  0.467939  183.25       12.5928  183.25       12.5928  183.25       12.5928  13.5148  0.329878  ?        ?         
1 1 1 0  0  15 o 0.863681 0.516359  0.823444     1.54917  0.823444     1.54917  0.823444     1.54917  0.789127 0.449935  ?        ?         
1 1 1 0  0  16 o 5.82944  0.22986   34.162       2.67045  34.162       2.67045  34.162       2.67045  5.83716  0.16203   ?        ?         
1 1 1 0  0  17 o 0.899703 0.545126  0.814284     1.77329  0.814284     1.77329  0.814284     1.77329  0.812322 0.473916  ?        ?         
1 1 1 0  0  18 o 53.2666  1.238     2878.11      131.727  2878.11      131.727  2878.11      131.727  53.4548  0.871775  ?        ?         
1 1 1 0  0  19 o 0.744414 0.503358  -0.852546    2.12075  -0.852546    2.12075  -0.852546    2.12075  0.597614 0.410243  ?        ?         
1 1 1 0  0  20 o 112.933  2.72672   13481.5      615.066  13481.5      615.066  13481.5      615.066  114.496  1.90044   ?        ?         
1 1 1 0  0  21 o 0.636138 0.458599  -3.71746     2.5779   -3.71746     2.5779   -3.71746     2.5779   0.477142 0.350048  ?        ?         
1 1 1 0  0  22 o 3.39339  0.465367  12.1751      3.02662  12.1751      3.02662  12.1751      3.02662  3.44456  0.316818  ?        ?         
1 1 1 0  0  23 o 0.935229 0.624372  -0.761121    3.0677   -0.761121    3.0677   -0.761121    3.0677   0.763618 0.514045  ?        ?         
1 1 1 0  0  25 o 1.41613  0.834273  2.42481      3.94634  2.42481      3.94634  2.42481      3.94634  1.3148   0.730136  ?        ?         
1 1 1 0  0  26 f 25.5087  0.875008  662.862      44.5215  662.862      44.5215  662.862      44.5215  25.627   0.615025  ?        ?         
1 1 1 0  0  27 o 0.736914 0.536229  -7.18243     3.99951  -7.18243     3.99951  -7.18243     3.99951  0.546723 0.404753  ?        ?         
1 1 1 0  0  28 o 11.2054  0.362636  126.483      8.10766  126.483      8.10766  126.483      8.10766  11.2258  0.255647  ?        ?         
1 1 1 0  0  29 o 0.870438 0.609678  -3.20035     3.75754  -3.20035     3.75754  -3.20035     3.75754  0.676554 0.483083  ?        ?         
1 1 1 0  0  30 o 7.48712  0.357201  56.8283      5.32106  56.8283      5.32106  56.8283      5.32106  7.51297  0.251039  ?        ?         
1 1 1 0  0  31 o 0.650604 0.476969  -6.48283     3.33871  -6.48283     3.33871  -6.48283     3.33871  0.483283 0.358621  ?        ?         
1 1 1 0  0  32 o 8.08884  0.342894  66.4157      5.52456  66.4157      5.52456  66.4157      5.52456  8.11922  0.241049  ?        ?         
1 1 1 0  0  33 o 1.26082  0.755519  1.99574      3.32899  1.99574      3.32899  1.99574      3.32899  1.17481  0.663291  ?        ?         
1 1 1 0  0  34 o 7.90118  0.347478  63.693       5.4668   63.693       5.4668   63.693       5.4668   7.94126  0.243909  ?        ?         
1 1 1 0  0  35 f 1.06761  0.690038  0.523228     3.33863  0.523228     3.33863  0.523228     3.33863  0.928493 0.59221   ?        ?         
1 1 1 0  0  36 o 1.06922  0.712548  -0.217959    3.95258  -0.217959    3.95258  -0.217959    3.95258  0.906712 0.602982  ?        ?         
1 1 1 0  0  37 o 0.826275 0.583788  -3.0577      3.60564  -3.0577      3.60564  -3.0577      3.60564  0.64946  0.465841  ?        ?         
1 1 1 0  0  38 o 5.24213  0.441091  29.3505      4.54919  29.3505      4.54919  29.3505      4.54919  5.33223  0.303892  ?        ?         
1 1 1 0  0  39 o 0.702748 0.508955  -5.04838     3.4791   -5.04838     3.4791   -5.04838     3.4791   0.537123 0.395364  ?        ?         
1 1 1 0  0  40 o 3.57254  0.598328  15.075       3.91418  15.075       3.91418  15.075       3.91418  3.74234  0.378677  ?        ?         
1 1 1 0  0  41 o 1.55554  0.839269  4.6969       3.5825   4.6969       3.5825   4.6969       3.5825   1.68977  0.731776  ?        ?         
1 1 1 0  0  42 o 3.99131  0.538505  18.7405      4.12461  18.7405      4.12461  18.7405      4.12461  4.16951  0.355702  ?        ?         
1 1 1 0  0  43 o 0.802774 0.566879  -1.69239     3.38746  -1.69239     3.38746  -1.69239     3.38746  0.665875 0.471683  ?        ?         
1 1 1 0  0  44 o 0.834117 0.580257  -0.596905    3.2881   -0.596905    3.2881   -0.596905    3.2881   0.719713 0.499318  ?        ?         
1 1 1 0  0  45 o 0.826941 0.574286  0.0705683    3.10416  0.0705683    3.10416  0.0705683    3.10416  0.740575 0.50491   ?        ?         
1 1 1 0  0  46 o 0.850713 0.612831  0.237995     4.55879  0.237995     4.55879  0.237995     4.55879  0.793303 0.55824   ?        ?         
1 1 1 0  0  47 o 0.83364  0.612438  1.99445      5.7353   1.99445      5.7353   1.99445      5.7353   0.835205 0.596467  ?        ?         
1 1 1 1  0  2  o 45.9687  0.471214  2116.35      43.312   2116.35      43.312   2116.35      43.312   45.9858  0.333036  ?        ?         
1 1 1 1  0  3  o 11.6297  0.114635  135.299      2.66576  135.299      2.66576  135.299      2.66576  11.6307  0.081043  ?        ?         
1 1 1 1  0  4  o 13.5749  0.136823  184.355      3.71385  184.355      3.71385  184.355      3.71385  13.5763  0.0967272 ?        ?         
1 1 1 1  0  5  o 8.94686  0.0953318 80.0791      1.7054   80.0791      1.7054   80.0791      1.7054   8.94777  0.0673943 ?        ?         
1 1 1 1  0  6  o 18.5301  0.177888  343.551      6.59119  343.551      6.59119  343.551      6.59119  18.5326  0.125756  ?        ?         
1 1 1 1  0  7  o 10.325   0.10075   106.647      2.08004  106.647      2.08004  106.647      2.08004  10.326   0.0712265 ?        ?         
1 1 1 1  0  8  o 3.06719  0.0634623 9.42013      0.388926 9.42013      0.388926 9.42013      0.388926 3.06821  0.044838  ?        ?         
1 1 1 1  0  9  o 14.8375  0.141733  220.26       4.20504  220.26       4.20504  220.26       4.20504  14.8393  0.100197  ?        ?         
1 1 1 1  0  10 o 11.0086  0.108887  121.242      2.39686  121.242      2.39686  121.242      2.39686  11.0098  0.0769781 ?        ?         
1 1 1 1  0  11 o 8.68332  0.0980808 75.438       1.70285  75.438       1.70285  75.438       1.70285  8.68441  0.0693349 ?        ?         
1 1 1 1  0  12 o 4.6012   0.107103  21.2086      0.984398 21.2086      0.984398 21.2086      0.984398 4.60325  0.075653  ?        ?         
1 1 1 1  0  13 o 4.69164  0.0809681 22.0331      0.759236 22.0331      0.759236 22.0331      0.759236 4.69279  0.0572198 ?        ?         
1 1 1 1  0  14 o 7.41596  0.128168  55.0583      1.8997   55.0583      1.8997   55.0583      1.8997   7.41805  0.0905724 ?        ?         
1 1 1 1  0  15 o 18.1391  0.174745  329.246      6.33812  329.246      6.33812  329.246      6.33812  18.1421  0.12353   ?        ?         
1 1 1 1  0  16 o 0.692239 0.366301  0.69794      0.672047 0.69794      0.672047 0.69794      0.672047 0.691355 0.316877  ?        ?         
1 1 1 1  0  17 o 19.0295  0.183774  362.353      6.9928   362.353      6.9928   362.353      6.9928   19.0325  0.129914  ?        ?         
1 1 1 1  0  18 o 15.0668  0.151085  227.121      4.55173  227.121      4.55173  227.121      4.55173  15.0687  0.106808  ?        ?         
1 1 1 1  0  19 o 10.6646  0.124069  113.793      2.64548  113.793      2.64548  113.793      2.64548  10.666   0.0877053 ?        ?         
1 1 1 1  0  20 o 28.1838  0.267999  794.965      15.1034  794.965      15.1034  794.965      15.1034  28.1894  0.189447  ?        ?         
1 1 1 1  0  21 o 25.4767  0.24365   649.562      12.4122  649.562      12.4122  649.562      12.4122  25.4815  0.172236  ?        ?         
1 1 1 1  0  22 o 0.92944  0.481659  1.27147      1.1439   1.27147      1.1439   1.27147      1.1439   0.939519 0.413709  ?        ?         
1 1 1 1  0  23 o 3.30302  0.202882  11.0378      1.32866  11.0378      1.32866  11.0378      1.32866  3.3128   0.142398  ?        ?         
1 1 1 1  0  24 o 1.25205  0.655753  2.30549      2.1367   2.30549      2.1367   2.30549      2.1367   1.25947  0.565421  ?        ?         
1 1 1 1  0  25 o 28.7118  0.275552  825.544      15.8199  825.544      15.8199  825.544      15.8199  28.722   0.194755  ?        ?         
1 1 1 1  0  26 o 12.0376  0.206079  145.155      4.95812  145.155      4.95812  145.155      4.95812  12.0428  0.145609  ?        ?         
1 1 1 1  0  27 o 13.6562  0.157761  186.686      4.30752  186.686      4.30752  186.686      4.30752  13.6597  0.111508  ?        ?         
1 1 1 1  0  28 o 7.85553  0.143472  61.8119      2.25241  61.8119      2.25241  61.8119      2.25241  7.85878  0.10137   ?        ?         
1 1 1 1  0  29 o 12.0595  0.150182  145.637      3.62097  145.637      3.62097  145.637      3.62097  12.0637  0.106138  ?        ?         
1 1 1 1  0  30 o 4.70074  0.183633  22.2387      1.72044  22.2387      1.72044  22.2387      1.72044  4.70831  0.129411  ?        ?         
1 1 1 1  0  31 o 4.76164  0.176556  22.8149      1.67614  22.8149      1.67614  22.8149      1.67614  4.7691   0.124451  ?        ?         
1 1 1 1  0  32 o 1.94233  0.41071   4.28119      1.40291  4.28119      1.40291  4.28119      1.40291  2.0171   0.25507   ?        ?         
1 1 1 1  0  33 o 4.01811  0.194253  16.319       1.55274  16.319       1.55274  16.319       1.55274  4.029    0.136613  ?        ?         
1 1 1 1  0  34 o 1.8124   0.434328  3.85438      1.36451  3.85438      1.36451  3.85438      1.36451  1.90106  0.269202  ?        ?         
1 1 1 1  0  35 o 3.13354  0.24447   10.0818      1.51066  10.0818      1.51066  10.0818      1.51066  3.15482  0.170433  ?        ?         
1 1 1 1  0  36 o 1.18821  0.581527  2.20469      1.62214  2.20469      1.62214  2.20469      1.62214  1.25332  0.48429   ?        ?         
1 1 1 1  0  37 o 4.29275  0.211568  18.7227      1.80636  18.7227      1.80636  18.7227      1.80636  4.30999  0.148578  ?        ?         
1 1 1 1  0  38 o 0.422538 0.309746  -2.68705     1.40723  -2.68705     1.40723  -2.68705     1.40723  0.314736 0.233558  ?        ?         
1 1 1 1  0  39 o 4.68715  0.179467  22.2699      1.67678  22.2699      1.67678  22.2699      1.67678  4.70317  0.126255  ?        ?         
1 1 1 1  0  40 o 0.676517 0.441664  0.0981261    1.41309  0.0981261    1.41309  0.0981261    1.41309  0.580445 0.375977  ?        ?         
1 1 1 1  0  41 o 0.732617 0.467425  0.40281      1.47173  0.40281      1.47173  0.40281      1.47173  0.649152 0.404979  ?        ?         
1 1 1 1  0  42 o 1.14943  0.553819  2.19646      1.46463  2.19646      1.46463  2.19646      1.46463  1.24934  0.452754  ?        ?         
1 1 1 1  0  43 o 0.891337 0.510384  1.34148      1.41639  1.34148      1.41639  1.34148      1.41639  0.897195 0.453835  ?        ?         
1 1 1 1  0  44 o 0.468243 0.336283  -1.47145     1.34016  -1.47145     1.34016  -1.47145     1.34016  0.364921 0.26457   ?        ?         
1 1 1 1  0  45 o 1.22755  0.527209  2.56031      1.31709  2.56031      1.31709  2.56031      1.31709  1.40013  0.385163  ?        ?         
1 1 1 1  0  46 o 0.893861 0.550899  1.81126      1.8773   1.81126      1.8773   1.81126      1.8773   0.935629 0.509119  ?        ?         
1 1 1 1  0  47 o 0.682422 0.477136  0.274889     2.28096  0.274889     2.28096  0.274889     2.28096  0.629193 0.430166  ?        ?         
1 1 1 1  1  3  o 0.747836 0.0829115 0.579634     0.120532 0.579634     0.120532 0.579634     0.120532 0.754894 0.0572065 ?        ?         
1 1 1 1  1  4  o 4.16326  0.0636556 17.3454      0.529751 17.3454      0.529751 17.3454      0.529751 4.16402  0.0449912 ?        ?         
1 1 1 1  1  5  o 15.0818  0.152068  227.571      4.58588  227.571      4.58588  227.571      4.58588  15.0836  0.107503  ?        ?         
1 1 1 1  1  6  o 0.416701 0.217506  0.254286     0.234452 0.254286     0.234452 0.254286     0.234452 0.419269 0.187295  ?        ?         
1 1 1 1  1  7  o 5.86266  0.068316  34.3863      0.800782 34.3863      0.800782 34.3863      0.800782 5.86332  0.0482939 ?        ?         
1 1 1 1  1  8  o 22.5559  0.211965  509.14       9.5602   509.14       9.5602   509.14       9.5602   22.56    0.14984   ?        ?         
1 1 1 1  1  9  o 17.431   0.165233  304.014      5.75917  304.014      5.75917  304.014      5.75917  17.4335  0.116809  ?        ?         
1 1 1 1  1  10 o 19.5019  0.184596  380.579      7.19848  380.579      7.19848  380.579      7.19848  19.5051  0.130494  ?        ?         
1 1 1 1  1  11 o 10.7078  0.107264  114.708      2.29662  114.708      2.29662  114.708      2.29662  10.709   0.0758304 ?        ?         
1 1 1 1  1  12 o 16.3115  0.221508  266.381      7.22322  266.381      7.22322  266.381      7.22322  16.3163  0.15655   ?        ?         
1 1 1 1  1  13 o 4.32749  0.0846192 18.7505      0.731745 18.7505      0.731745 18.7505      0.731745 4.32884  0.0597903 ?        ?         
1 1 1 1  1  14 o 8.90729  0.134832  79.4142      2.40074  79.4142      2.40074  79.4142      2.40074  8.90938  0.0952938 ?        ?         
1 1 1 1  1  15 o 10.1676  0.109208  103.431      2.22018  103.431      2.22018  103.431      2.22018  10.1689  0.0772018 ?        ?         
1 1 1 1  1  16 f 2.99953  0.124289  9.04507      0.742707 9.04507      0.742707 9.04507      0.742707 3.00354  0.0875943 ?        ?         
1 1 1 1  1  17 o 10.0589  0.11178   101.231      2.24814  101.231      2.24814  101.231      2.24814  10.0601  0.0790198 ?        ?         
1 1 1 1  1  18 o 17.8983  0.174813  320.52       6.25634  320.52       6.25634  320.52       6.25634  17.9006  0.123581  ?        ?         
1 1 1 1  1  19 o 22.7133  0.217957  516.214      9.89898  516.214      9.89898  516.214      9.89898  22.7168  0.154079  ?        ?         
1 1 1 1  1  20 o 2.49881  0.212417  6.38041      1.04393  6.38041      1.04393  6.38041      1.04393  2.51273  0.148062  ?        ?         
1 1 1 1  1  21 o 3.85979  0.14985   14.968       1.15282  14.968       1.15282  14.968       1.15282  3.86434  0.105652  ?        ?         
1 1 1 1  1  22 o 3.55892  0.174872  12.7614      1.23786  12.7614      1.23786  12.7614      1.23786  3.56567  0.123072  ?        ?         
1 1 1 1  1  23 o 5.13002  0.146601  26.3877      1.50135  26.3877      1.50135  26.3877      1.50135  5.13346  0.103496  ?        ?         
1 1 1 1  1  24 o 6.1328   0.19957   37.7496      2.44197  37.7496      2.44197  37.7496      2.44197  6.13845  0.140816  ?        ?         
1 1 1 1  1  25 o 10.2564  0.139948  105.284      2.86952  105.284      2.86952  105.284      2.86952  10.2586  0.0989159 ?        ?         
1 1 1 1  1  26 o 19.8609  0.272514  395.264      10.8202  395.264      10.8202  395.264      10.8202  19.871   0.192557  ?        ?         
1 1 1 1  1  27 o 6.86331  0.150643  47.2008      2.06557  47.2008      2.06557  47.2008      2.06557  6.8668   0.106408  ?        ?         
1 1 1 1  1  28 o 12.4706  0.15161   155.7        3.78007  155.7        3.78007  155.7        3.78007  12.4743  0.107155  ?        ?         
1 1 1 1  1  29 o 0.867851 0.512504  0.901952     1.49531  0.901952     1.49531  0.901952     1.49531  0.804053 0.448248  ?        ?         
1 1 1 1  1  30 o 11.4766  0.147953  131.938      3.39474  131.938      3.39474  131.938      3.39474  11.4815  0.104554  ?        ?         
1 1 1 1  1  31 o 0.456949 0.330068  -2.04929     1.36979  -2.04929     1.36979  -2.04929     1.36979  0.342543 0.251654  ?        ?         
1 1 1 1  1  32 o 0.947307 0.516083  1.31342      1.36531  1.31342      1.36531  1.31342      1.36531  0.936637 0.449818  ?        ?         
1 1 1 1  1  33 o 6.29527  0.147816  39.7833      1.85877  39.7833      1.85877  39.7833      1.85877  6.30136  0.104355  ?        ?         
1 1 1 1  1  34 o 0.593404 0.399947  -0.436312    1.32033  -0.436312    1.32033  -0.436312    1.32033  0.481779 0.328775  ?        ?         
1 1 1 1  1  35 o 1.55225  0.53781   3.22679      1.50325  3.22679      1.50325  3.22679      1.50325  1.68124  0.360218  ?        ?         
1 1 1 1  1  36 o 3.25002  0.274588  10.9258      1.75552  10.9258      1.75552  10.9258      1.75552  3.27831  0.190806  ?        ?         
1 1 1 1  1  37 o 1.90014  0.498436  4.40654      1.63301  4.40654      1.63301  4.40654      1.63301  2.01669  0.307817  ?        ?         
1 1 1 1  1  38 o 2.34878  0.340103  5.99419      1.49938  5.99419      1.49938  5.99419      1.49938  2.40286  0.22516   ?        ?         
1 1 1 1  1  39 o 1.4779   0.539781  3.06654      1.46571  3.06654      1.46571  3.06654      1.46571  1.61751  0.36819   ?        ?         
1 1 1 1  1  40 o 2.77456  0.278451  8.12033      1.50947  8.12033      1.50947  8.12033      1.50947  2.81327  0.191745  ?        ?         
1 1 1 1  1  41 o 1.11231  0.551488  2.03508      1.46636  2.03508      1.46636  2.03508      1.46636  1.18855  0.460735  ?        ?         
1 1 1 1  1  42 o 0.646393 0.431027  -0.105844    1.45157  -0.105844    1.45157  -0.105844    1.45157  0.546607 0.363978  ?        ?         
1 1 1 1  1  43 o 0.921261 0.516186  1.46289      1.41177  1.46289      1.41177  1.46289      1.41177  0.942325 0.456875  ?        ?         
1 1 1 1  1  44 o 1.18336  0.536044  2.383        1.35803  2.383        1.35803  2.383        1.35803  1.32927  0.41342   ?        ?         
1 1 1 1  1  45 o 0.466044 0.334357  -1.3374      1.3155   -1.3374      1.3155   -1.3374      1.3155   0.366443 0.265327  ?        ?         
1 1 1 1  1  46 o 1.10979  0.60248   2.86988      1.85544  2.86988      1.85544  2.86988      1.85544  1.2889   0.522373  ?        ?         
1 1 1 1  1  47 o 0.954948 0.615036  3.15167      2.61727  3.15167      2.61727  3.15167      2.61727  1.09228  0.599194  ?        ?         
1 1 1 2  0  2  o 32.3599  0.330402  1048.12      21.3785  1048.12      21.3785  1048.12      21.3785  32.3671  0.23355   ?        ?         
1 1 1 2  0  3  o 15.9397  0.156032  254.179      4.97311  254.179      4.97311  254.179      4.97311  15.9413  0.110308  ?        ?         
1 1 1 2  0  4  o 13.5746  0.133892  184.346      3.63427  184.346      3.63427  184.346      3.63427  13.576   0.0946558 ?        ?         
1 1 1 2  0  5  o 0.774657 0.142578  0.65745      0.19853  0.65745      0.19853  0.65745      0.19853  0.795582 0.0909279 ?        ?         
1 1 1 2  0  6  o 21.887   0.209619  479.352      9.17393  479.352      9.17393  479.352      9.17393  21.8905  0.148183  ?        ?         
1 1 1 2  0  7  o 13.1857  0.137763  173.952      3.63211  173.952      3.63211  173.952      3.63211  13.1874  0.0973885 ?        ?         
1 1 1 2  0  8  o 37.2957  0.348556  1393.09      25.9941  1393.09      25.9941  1393.09      25.9941  37.3097  0.246349  ?        ?         
1 1 1 2  0  9  o 8.1123   0.0845732 65.8361      1.37183  65.8361      1.37183  65.8361      1.37183  8.11312  0.0597889 ?        ?         
1 1 1 2  0  10 o 8.9278   0.103503  79.7479      1.84754  79.7479      1.84754  79.7479      1.84754  8.92898  0.0731666 ?        ?         
1 1 1 2  0  11 o 2.82004  0.0855747 7.97531      0.481643 7.97531      0.481643 7.97531      0.481643 2.82206  0.0604037 ?        ?         
1 1 1 2  0  12 o 10.6233  0.152089  112.959      3.22989  112.959      3.22989  112.959      3.22989  10.6258  0.107493  ?        ?         
1 1 1 2  0  13 o 6.83592  0.0847076 46.7559      1.15771  46.7559      1.15771  46.7559      1.15771  6.83687  0.0598786 ?        ?         
1 1 1 2  0  14 o 1.74446  0.23182   3.20343      0.776942 3.20343      0.776942 3.20343      0.776942 1.76859  0.158229  ?        ?         
1 1 1 2  0  15 o 0.783997 0.363185  0.900759     0.625014 0.900759     0.625014 0.900759     0.625014 0.826199 0.294125  ?        ?         
1 1 1 2  0  16 o 10.4604  0.112619  109.475      2.35546  109.475      2.35546  109.475      2.35546  10.4617  0.0796132 ?        ?         
1 1 1 2  0  17 o 1.02365  0.385222  1.41607      0.734598 1.41607      0.734598 1.41607      0.734598 1.10174  0.272631  ?        ?         
1 1 1 2  0  18 o 20.4962  0.197523  420.348      8.09528  420.348      8.09528  420.348      8.09528  20.4993  0.139635  ?        ?         
1 1 1 2  0  19 o 8.09077  0.122651  65.5128      1.98366  65.5128      1.98366  65.5128      1.98366  8.09238  0.0866878 ?        ?         
1 1 1 2  0  20 o 4.43564  0.129739  19.7278      1.14872  19.7278      1.14872  19.7278      1.14872  4.43863  0.0915881 ?        ?         
1 1 1 2  0  21 o 25.7132  0.245853  661.685      12.6407  661.685      12.6407  661.685      12.6407  25.7182  0.173793  ?        ?         
1 1 1 2  0  22 o 10.8666  0.128655  118.153      2.79521  118.153      2.79521  118.153      2.79521  10.8682  0.0909451 ?        ?         
1 1 1 2  0  23 o 3.87364  0.178698  15.1059      1.37771  15.1059      1.37771  15.1059      1.37771  3.88018  0.125834  ?        ?         
1 1 1 2  0  24 o 4.42886  0.235686  19.7947      2.07414  19.7947      2.07414  19.7947      2.07414  4.43909  0.16572   ?        ?         
1 1 1 2  0  25 o 8.7121   0.139672  75.9818      2.43226  75.9818      2.43226  75.9818      2.43226  8.71443  0.0987077 ?        ?         
1 1 1 2  0  26 o 4.324    0.262244  18.9279      2.24878  18.9279      2.24878  18.9279      2.24878  4.33747  0.184055  ?        ?         
1 1 1 2  0  27 o 4.48306  0.193099  20.2288      1.72404  20.2288      1.72404  20.2288      1.72404  4.4904   0.136025  ?        ?         
1 1 1 2  0  28 o 2.61334  0.319598  7.15219      1.61401  7.15219      1.61401  7.15219      1.61401  2.64546  0.219166  ?        ?         
1 1 1 2  0  29 o 1.57154  0.530627  3.21164      1.48791  3.21164      1.48791  3.21164      1.48791  1.68882  0.353739  ?        ?         
1 1 1 2  0  30 o 6.77515  0.148685  46.0248      2.01254  46.0248      2.01254  46.0248      2.01254  6.77966  0.105009  ?        ?         
1 1 1 2  0  31 o 1.15869  0.537707  1.99815      1.37029  1.99815      1.37029  1.99815      1.37029  1.22704  0.4349    ?        ?         
1 1 1 2  0  32 o 0.798296 0.48114   0.700966     1.36513  0.700966     1.36513  0.700966     1.36513  0.728713 0.41987   ?        ?         
1 1 1 2  0  33 o 2.81062  0.25753   8.1478       1.4197   8.1478       1.4197   8.1478       1.4197   2.83318  0.178797  ?        ?         
1 1 1 2  0  34 o 0.69788  0.444315  0.246017     1.32361  0.246017     1.32361  0.246017     1.32361  0.604882 0.379969  ?        ?         
1 1 1 2  0  35 o 0.502555 0.358945  -1.74044     1.46985  -1.74044     1.46985  -1.74044     1.46985  0.383423 0.277792  ?        ?         
1 1 1 2  0  36 o 1.43018  0.584409  2.98142      1.6381   2.98142      1.6381   2.98142      1.6381   1.55822  0.430336  ?        ?         
1 1 1 2  0  37 o 0.852576 0.507545  0.922747     1.48625  0.922747     1.48625  0.922747     1.48625  0.796638 0.445764  ?        ?         
1 1 1 2  0  38 o 3.07316  0.255029  9.78664      1.54266  9.78664      1.54266  9.78664      1.54266  3.10143  0.177181  ?        ?         
1 1 1 2  0  39 o 0.662448 0.438763  -0.0908443   1.4592   -0.0908443   1.4592   -0.0908443   1.4592   0.557928 0.369315  ?        ?         
1 1 1 2  0  40 o 1.90724  0.443415  4.3574       1.46924  4.3574       1.46924  4.3574       1.46924  2.01341  0.268659  ?        ?         
1 1 1 2  0  41 o 0.974003 0.537682  1.54247      1.50097  1.54247      1.50097  1.54247      1.50097  0.986522 0.47187   ?        ?         
1 1 1 2  0  42 o 0.772886 0.480827  0.691411     1.45626  0.691411     1.45626  0.691411     1.45626  0.710946 0.422812  ?        ?         
1 1 1 2  0  43 o 0.634349 0.423118  -0.0423695   1.40119  -0.0423695   1.40119  -0.0423695   1.40119  0.541579 0.359781  ?        ?         
1 1 1 2  0  44 o 1.85352  0.422744  4.27666      1.36338  4.27666      1.36338  4.27666      1.36338  1.97819  0.252955  ?        ?         
1 1 1 2  0  45 o 0.697725 0.44629   0.591964     1.34907  0.591964     1.34907  0.591964     1.34907  0.64536  0.395193  ?        ?         
1 1 1 2  0  46 o 0.757645 0.500803  0.870499     1.88844  0.870499     1.88844  0.870499     1.88844  0.719351 0.452656  ?        ?         
1 1 1 2  0  47 o 0.69567  0.486625  0.389696     2.37812  0.389696     2.37812  0.389696     2.37812  0.64738  0.441581  ?        ?         
1 1 1 2  1  2  o 11.3371  0.0870751 128.541      1.97436  130.261      2.75023  126.713      2.83609  11.4123  0.120495  11.2557  0.125985  
1 1 1 2  1  3  o 14.807   0.0983447 219.271      2.91238  217.956      4.0939   220.618      4.14403  14.7617  0.138666  14.8516  0.139515  
1 1 1 2  1  4  o 23.4817  0.155368  551.569      7.29662  555.246      10.3765  547.972      10.2624  23.5558  0.220254  23.4011  0.219271  
1 1 1 2  1  5  o 15.3175  0.105465  234.665      3.23091  234.139      4.51092  235.219      4.6298   15.299   0.147426  15.3341  0.150964  
1 1 1 2  1  6  o 24.7723  0.169316  613.974      8.38868  614.277      12.2817  613.71       11.4851  24.7711  0.247904  24.7613  0.231916  
1 1 1 2  1  7  o 15.8128  0.109254  250.101      3.45522  252.291      4.87271  247.886      4.90024  15.88    0.153423  15.7407  0.155655  
1 1 1 2  1  8  o 15.4904  0.107423  240.011      3.32806  238.299      4.6238   241.85       4.79397  15.4333  0.1498    15.5476  0.154171  
1 1 1 2  1  9  o 1.90717  0.068709  3.63769      0.26208  3.17446      0.365911 4.12566      0.375551 1.78149  0.102698  2.03097  0.0924558 
1 1 1 2  1  10 o 11.9008  0.0824502 141.652      1.96245  141.901      2.77894  141.404      2.77171  11.9103  0.116661  11.8894  0.116562  
1 1 1 2  1  11 f 8.65778  0.0653023 74.9652      1.13075  74.994       1.61588  74.9375      1.58286  8.65896  0.093307  8.65574  0.0914342 
1 1 1 2  1  12 o 8.18875  0.0834608 67.0679      1.36688  66.5384      1.92158  67.6103      1.94475  8.15562  0.117807  8.22103  0.118279  
1 1 1 2  1  13 o 10.3625  0.0802052 107.4        1.66225  107.094      2.36961  107.696      2.33238  10.3468  0.114509  10.3759  0.112395  
1 1 1 2  1  14 o 10.6589  0.0980399 113.643      2.09     113.035      2.98944  114.224      2.92309  10.6289  0.140628  10.6848  0.136787  
1 1 1 2  1  15 o 6.373    0.0632789 40.6192      0.806553 40.6458      1.14234  40.5928      1.13894  6.37475  0.089599  6.37059  0.0893904 
1 1 1 2  1  16 o 7.06147  0.0663596 49.8697      0.937193 50.0097      1.32674  49.7302      1.32405  7.071    0.0938153 7.05121  0.0938882 
1 1 1 2  1  17 o 6.10654  0.0681397 37.2934      0.832195 37.417       1.18204  37.1719      1.17183  6.11634  0.0966296 6.09628  0.0961101 
1 1 1 2  1  18 o 16.7502  0.116636  280.632      3.90734  278.198      5.48201  283.146      5.57069  16.6755  0.164373  16.8231  0.165567  
1 1 1 2  1  19 o 12.4031  0.0934005 153.858      2.31692  151.504      3.23978  156.321      3.31474  12.3071  0.131622  12.5012  0.132577  
1 1 1 2  1  20 o 20.7357  0.142108  430.098      5.89341  428.085      8.29894  432.146      8.37059  20.6838  0.200614  20.7817  0.201394  
1 1 1 2  1  21 o 8.65794  0.0818233 74.9684      1.41684  76.4145      2.02836  73.5905      1.97996  8.74052  0.116032  8.57751  0.115416  
1 1 1 2  1  22 o 6.55511  0.0855979 42.9759      1.12221  42.1052      1.57555  43.8724      1.59879  6.48787  0.121423  6.62264  0.120706  
1 1 1 2  1  23 o 13.064   0.102817  170.709      2.68641  169.763      3.78182  171.672      3.81675  13.0263  0.145161  13.0993  0.145685  
1 1 1 2  1  24 o 9.49394  0.119433  90.1679      2.26778  91.062       3.22936  89.2979      3.18533  9.53911  0.16927   9.44629  0.168602  
1 1 1 2  1  25 o 11.3598  0.104801  129.089      2.38103  128.94       3.43245  129.227      3.30569  11.3512  0.151194  11.3641  0.145444  
1 1 1 2  1  26 o 9.09493  0.128993  82.7733      2.34636  83.6609      3.38412  81.9516      3.25609  9.14024  0.185122  9.04673  0.179959  
1 1 1 2  1  27 o 6.0061   0.113539  36.0976      1.36385  36.0572      1.92691  36.1381      1.93065  6.00073  0.160556  6.00746  0.160687  
1 1 1 2  1  28 o 10.9458  0.102414  119.891      2.24201  118.187      3.1493   121.643      3.1925   10.8639  0.144944  11.0216  0.144829  
1 1 1 2  1  29 o 5.86246  0.10874   34.4032      1.27497  35.1965      1.80931  33.6207      1.79691  5.92674  0.15264   5.79236  0.15511   
1 1 1 2  1  30 o 5.39646  0.114376  29.164       1.23446  31.1389      1.76015  27.2522      1.73177  5.57253  0.15793   5.21241  0.16612   
1 1 1 2  1  31 o 2.12553  0.236157  4.5527       1.00392  4.2592       1.42123  4.84498      1.41827  2.01509  0.36616   2.18526  0.32451   
1 1 1 2  1  32 o 2.70853  0.183315  7.37745      0.993029 7.97682      1.41536  6.79637      1.3936   2.80931  0.251906  2.59121  0.268909  
1 1 1 2  1  33 o 4.79599  0.118063  23.0665      1.13246  23.3576      1.60398  22.7772      1.5991   4.81952  0.166404  4.75901  0.168008  
1 1 1 2  1  34 o 3.36085  0.150766  11.3578      1.0134   12.16        1.44389  10.5791      1.42267  3.46889  0.20812   3.23357  0.219984  
1 1 1 2  1  35 o 1.64137  0.340644  2.88288      1.08084  2.90948      1.52259  2.85586      1.53455  1.63054  0.451685  1.61619  0.455341  
1 1 1 2  1  36 o 1.30892  0.403526  1.82992      1.16062  0.125959     1.63222  3.57265      1.65068  1.03204  0.442249  1.78944  0.459021  
1 1 1 2  1  37 o 1.94308  0.287655  3.89907      1.11787  4.51334      1.57596  3.27701      1.58592  2.03054  0.402371  1.71033  0.455401  
1 1 1 2  1  38 o 0.660666 0.309541  -0.928869    1.02746  -0.0610894   1.46617  -1.76626     1.44027  0.942879 0.411742  0.728955 0.348973  
1 1 1 2  1  39 f 0.824465 0.351259  0.123859     1.01922  0.89487      1.44238  -0.645043    1.44041  1.09703  0.437527  0.846516 0.385387  
1 1 1 2  1  40 o 1.29177  0.374528  1.87833      1.02377  1.85503      1.44555  1.90177      1.45011  1.30037  0.452532  1.31233  0.453576  
1 1 1 2  1  41 o 0.804021 0.348588  0.0358226    1.03623  0.55661      1.46342  -0.487867    1.46749  1.01968  0.427009  0.86239  0.391644  
1 1 1 2  1  42 o 1.02984  0.380114  1.07118      1.03334  1.18118      1.46175  0.961303     1.46097  1.12133  0.442575  1.07755  0.436039  
1 1 1 2  1  43 o 0.943604 0.368088  0.838414     1.00274  -0.0554286   1.41216  1.74742      1.42409  0.873598 0.391214  1.20777  0.446144  
1 1 1 2  1  44 o 0.559669 0.270788  -1.22121     0.932073 -1.19393     1.32656  -1.24782     1.3099   0.700203 0.335138  0.689963 0.330907  
1 1 1 2  1  45 o 0.497562 0.247746  -2.0813      0.979932 -1.69223     1.3805   -2.47643     1.39123  0.656701 0.320488  0.605312 0.300533  
1 1 1 2  1  46 o 0.736653 0.34611   -0.330884    1.31576  -1.37497     1.85843  0.718454     1.8631   0.754842 0.36912   0.930062 0.428941  
1 1 1 2  1  47 o 0.814757 0.391191  0.274313     1.84337  0.906165     2.6987   -0.278343    2.52391  0.901816 0.441884  0.833081 0.411698  
1 1 1 2  2  0  o 7.4228   0.246361  55.298       3.64824  55.298       3.64824  55.298       3.64824  7.42953  0.173826  ?        ?         
1 1 1 2  2  1  o 5.0994   0.0762284 26.0221      0.777046 26.0221      0.777046 26.0221      0.777046 5.10029  0.0538785 ?        ?         
1 1 1 2  2  2  o 32.228   0.31448   1039.5       20.2658  1039.5       20.2658  1039.5       20.2658  32.2345  0.222303  ?        ?         
1 1 1 2  2  3  o 19.1986  0.18763   368.765      7.20292  368.765      7.20292  368.765      7.20292  19.2009  0.132644  ?        ?         
1 1 1 2  2  4  o 28.3781  0.270776  805.942      15.3651  805.942      15.3651  805.942      15.3651  28.3835  0.191411  ?        ?         
1 1 1 2  2  5  o 8.57407  0.0840121 73.5399      1.44034  73.5399      1.44034  73.5399      1.44034  8.5748   0.059394  ?        ?         
1 1 1 2  2  6  o 42.9104  0.418401  1844.66      35.8998  1844.66      35.8998  1844.66      35.8998  42.9296  0.29569   ?        ?         
1 1 1 2  2  7  o 48.2685  0.470853  2335.51      45.445   2335.51      45.445   2335.51      45.445   48.2973  0.332708  ?        ?         
1 1 1 2  2  8  o 5.56761  0.0722286 31.0157      0.803977 31.0157      0.803977 31.0157      0.803977 5.56839  0.0510565 ?        ?         
1 1 1 2  2  9  o 38.9824  0.36452   1522.3       28.4141  1522.3       28.4141  1522.3       28.4141  38.9994  0.257617  ?        ?         
1 1 1 2  2  10 o 18.493   0.183111  342.229      6.77108  342.229      6.77108  342.229      6.77108  18.4962  0.129443  ?        ?         
1 1 1 2  2  11 o 4.65309  0.0775034 21.6709      0.720809 21.6709      0.720809 21.6709      0.720809 4.65414  0.0547736 ?        ?         
1 1 1 2  2  12 o 29.138   0.316277  850.44       18.4265  850.44       18.4265  850.44       18.4265  29.1501  0.223519  ?        ?         
1 1 1 2  2  13 o 6.50824  0.0940835 42.3889      1.22406  42.3889      1.22406  42.3889      1.22406  6.50946  0.066499  ?        ?         
1 1 1 2  2  14 o 9.28007  0.117521  86.1775      2.18043  86.1775      2.18043  86.1775      2.18043  9.28163  0.0830713 ?        ?         
1 1 1 2  2  15 o 19.2267  0.184466  369.929      7.09188  369.929      7.09188  369.929      7.09188  19.2301  0.130401  ?        ?         
1 1 1 2  2  16 o 1.49061  0.247363  2.39895      0.676219 2.39895      0.676219 2.39895      0.676219 1.52361  0.161032  ?        ?         
1 1 1 2  2  17 o 0.555402 0.341392  0.268947     0.717192 0.268947     0.717192 0.268947     0.717192 0.494606 0.295556  ?        ?         
1 1 1 2  2  18 o 5.72958  0.106736  32.8653      1.22215  32.8653      1.22215  32.8653      1.22215  5.7312   0.0754229 ?        ?         
1 1 1 2  2  19 o 16.3265  0.1626    266.686      5.30819  266.686      5.30819  266.686      5.30819  16.3285  0.114948  ?        ?         
1 1 1 2  2  20 o 12.2215  0.132105  149.438      3.22821  149.438      3.22821  149.438      3.22821  12.223   0.0933891 ?        ?         
1 1 1 2  2  21 o 20.7281  0.201811  429.927      8.36453  429.927      8.36453  429.927      8.36453  20.7314  0.142664  ?        ?         
1 1 1 2  2  22 o 9.79988  0.123206  96.0982      2.41395  96.0982      2.41395  96.0982      2.41395  9.80143  0.0870906 ?        ?         
1 1 1 2  2  23 o 11.2792  0.135184  127.301      3.04854  127.301      3.04854  127.301      3.04854  11.281   0.0955587 ?        ?         
1 1 1 2  2  24 o 3.62327  0.264979  13.3492      1.89658  13.3492      1.89658  13.3492      1.89658  3.63875  0.185376  ?        ?         
1 1 1 2  2  25 o 6.30498  0.153483  39.8377      1.93282  39.8377      1.93282  39.8377      1.93282  6.30835  0.108398  ?        ?         
1 1 1 2  2  26 o 6.82837  0.176651  46.7498      2.40882  46.7498      2.40882  46.7498      2.40882  6.83287  0.124733  ?        ?         
1 1 1 2  2  27 o 0.560516 0.391887  -1.31886     1.53841  -1.31886     1.53841  -1.31886     1.53841  0.434136 0.309792  ?        ?         
1 1 1 2  2  28 o 1.01877  0.545388  1.51666      1.5032   1.51666      1.5032   1.51666      1.5032   1.01369  0.473406  ?        ?         
1 1 1 2  2  29 o 7.76952  0.139811  60.4749      2.17095  60.4749      2.17095  60.4749      2.17095  7.77304  0.0987806 ?        ?         
1 1 1 2  2  30 o 7.62008  0.14178   58.1907      2.15906  58.1907      2.15906  58.1907      2.15906  7.62419  0.10016   ?        ?         
1 1 1 2  2  31 o 7.35684  0.140626  54.2565      2.06743  54.2565      2.06743  54.2565      2.06743  7.36137  0.0993355 ?        ?         
1 1 1 2  2  32 o 2.89983  0.246947  8.63237      1.40831  8.63237      1.40831  8.63237      1.40831  2.91941  0.171917  ?        ?         
1 1 1 2  2  33 o 2.75549  0.258279  7.84043      1.39463  7.84043      1.39463  7.84043      1.39463  2.77848  0.179172  ?        ?         
1 1 1 2  2  34 o 3.37083  0.211655  11.5575      1.41401  11.5575      1.41401  11.5575      1.41401  3.38543  0.148318  ?        ?         
1 1 1 2  2  35 o 0.763789 0.485294  0.340644     1.57199  0.340644     1.57199  0.340644     1.57199  0.665989 0.416676  ?        ?         
1 1 1 2  2  36 o 0.661706 0.444802  -0.431991    1.61365  -0.431991    1.61365  -0.431991    1.61365  0.542365 0.367644  ?        ?         
1 1 1 2  2  37 o 0.549819 0.385322  -1.24036     1.50506  -1.24036     1.50506  -1.24036     1.50506  0.429527 0.306484  ?        ?         
1 1 1 2  2  38 o 0.703951 0.456027  0.154649     1.47058  0.154649     1.47058  0.154649     1.47058  0.605674 0.38925   ?        ?         
1 1 1 2  2  39 o 1.97829  0.429849  4.58539      1.48921  4.58539      1.48921  4.58539      1.48921  2.07358  0.263474  ?        ?         
1 1 1 2  2  40 o 0.748328 0.469968  0.512046     1.43077  0.512046     1.43077  0.512046     1.43077  0.670913 0.40898   ?        ?         
1 1 1 2  2  41 o 0.695699 0.452464  0.177697     1.46645  0.177697     1.46645  0.177697     1.46645  0.602467 0.387711  ?        ?         
1 1 1 2  2  42 o 1.07005  0.547025  1.93784      1.46403  1.93784      1.46403  1.93784      1.46403  1.13894  0.464441  ?        ?         
1 1 1 2  2  43 o 1.73677  0.479379  3.94479      1.43812  3.94479      1.43812  3.94479      1.43812  1.88186  0.290998  ?        ?         
1 1 1 2  2  44 o 1.04443  0.525793  1.95415      1.34081  1.95415      1.34081  1.95415      1.34081  1.14409  0.439866  ?        ?         
1 1 1 2  2  45 o 1.02617  0.542055  2.04801      1.46969  2.04801      1.46969  2.04801      1.46969  1.1294   0.466177  ?        ?         
1 1 1 2  2  46 o 0.761463 0.499587  0.937749     1.83442  0.937749     1.83442  0.937749     1.83442  0.728249 0.453435  ?        ?         
1 1 1 2  2  47 o 0.704632 0.499994  0.303806     2.72246  0.303806     2.72246  0.303806     2.72246  0.656234 0.454965  ?        ?         
1 1 1 3  0  1  o 0.41182  0.242539  0.200485     0.333373 0.200485     0.333373 0.200485     0.333373 0.380914 0.211935  ?        ?         
1 1 1 3  0  2  o 9.23436  0.100716  85.3085      1.85959  85.3085      1.85959  85.3085      1.85959  9.2353   0.0711998 ?        ?         
1 1 1 3  0  3  o 23.6354  0.230548  558.957      10.8959  558.957      10.8959  558.957      10.8959  23.6388  0.162981  ?        ?         
1 1 1 3  0  4  o 21.7159  0.212267  471.86       9.21717  471.86       9.21717  471.86       9.21717  21.7191  0.150057  ?        ?         
1 1 1 3  0  5  o 17.3988  0.163465  302.86       5.68704  302.86       5.68704  302.86       5.68704  17.4008  0.115562  ?        ?         
1 1 1 3  0  6  o 46.3017  0.432162  2147.91      40.0118  2147.91      40.0118  2147.91      40.0118  46.3232  0.305413  ?        ?         
1 1 1 3  0  7  o 6.98568  0.0730631 48.8182      1.02054  48.8182      1.02054  48.8182      1.02054  6.98634  0.0516522 ?        ?         
1 1 1 3  0  8  o 11.021   0.112203  121.516      2.47259  121.516      2.47259  121.516      2.47259  11.0222  0.0793212 ?        ?         
1 1 1 3  0  9  o 8.13038  0.090299  66.1336      1.46792  66.1336      1.46792  66.1336      1.46792  8.13132  0.0638348 ?        ?         
1 1 1 3  0  10 f 25.0045  0.235009  625.802      11.7502  625.802      11.7502  625.802      11.7502  25.0102  0.166122  ?        ?         
1 1 1 3  0  11 o 2.98045  0.0885552 8.90745      0.526814 8.90745      0.526814 8.90745      0.526814 2.9825   0.0625119 ?        ?         
1 1 1 3  0  12 o 4.81779  0.0941872 23.2404      0.906765 23.2404      0.906765 23.2404      0.906765 4.81931  0.0665506 ?        ?         
1 1 1 3  0  13 o 4.18241  0.0912893 17.5195      0.762797 17.5195      0.762797 17.5195      0.762797 4.18402  0.0644915 ?        ?         
1 1 1 3  0  14 o 12.761   0.156989  162.973      4.00531  162.973      4.00531  162.973      4.00531  12.7635  0.110967  ?        ?         
1 1 1 3  0  15 o 6.25788  0.0894598 39.1891      1.11914  39.1891      1.11914  39.1891      1.11914  6.259    0.0632318 ?        ?         
1 1 1 3  0  16 o 1.04113  0.357181  1.40964      0.667265 1.40964      0.667265 1.40964      0.667265 1.11751  0.24077   ?        ?         
1 1 1 3  0  17 o 14.0605  0.141228  197.799      3.97058  197.799      3.97058  197.799      3.97058  14.0623  0.0998392 ?        ?         
1 1 1 3  0  18 o 20.8301  0.200527  434.159      8.35229  434.159      8.35229  434.159      8.35229  20.8333  0.141758  ?        ?         
1 1 1 3  0  19 o 3.78575  0.133143  14.3869      1.00527  14.3869      1.00527  14.3869      1.00527  3.78939  0.0939225 ?        ?         
1 1 1 3  0  20 o 12.5379  0.134264  157.274      3.36591  157.274      3.36591  157.274      3.36591  12.5394  0.0949155 ?        ?         
1 1 1 3  0  21 o 7.61368  0.113132  58.0129      1.72184  58.0129      1.72184  58.0129      1.72184  7.61515  0.079961  ?        ?         
1 1 1 3  0  22 o 6.41278  0.121419  41.1742      1.55601  41.1742      1.55601  41.1742      1.55601  6.41475  0.0857949 ?        ?         
1 1 1 3  0  23 o 9.35416  0.130138  87.5673      2.43361  87.5673      2.43361  87.5673      2.43361  9.35595  0.091984  ?        ?         
1 1 1 3  0  24 o 3.59656  0.254327  13.1388      1.80839  13.1388      1.80839  13.1388      1.80839  3.61091  0.178052  ?        ?         
1 1 1 3  0  25 o 4.76678  0.188181  22.8405      1.78769  22.8405      1.78769  22.8405      1.78769  4.77301  0.132652  ?        ?         
1 1 1 3  0  26 o 8.58506  0.178278  73.8459      3.05807  73.8459      3.05807  73.8459      3.05807  8.5892   0.125939  ?        ?         
1 1 1 3  0  27 o 0.708919 0.465353  -0.129463    1.59402  -0.129463    1.59402  -0.129463    1.59402  0.590526 0.389044  ?        ?         
1 1 1 3  0  28 o 7.6134   0.144564  58.0658      2.19946  58.0658      2.19946  58.0658      2.19946  7.61673  0.102136  ?        ?         
1 1 1 3  0  29 o 1.98775  0.41658   4.45607      1.4582   4.45607      1.4582   4.45607      1.4582   2.0606   0.259449  ?        ?         
1 1 1 3  0  30 o 1.9838   0.417664  4.44903      1.45807  4.44903      1.45807  4.44903      1.45807  2.05796  0.259806  ?        ?         
1 1 1 3  0  31 o 3.97051  0.191796  15.9148      1.51495  15.9148      1.51495  15.9148      1.51495  3.97999  0.134929  ?        ?         
1 1 1 3  0  32 o 3.50371  0.209289  12.4513      1.45459  12.4513      1.45459  12.4513      1.45459  3.5163   0.146837  ?        ?         
1 1 1 3  0  33 o 1.06149  0.528858  1.71222      1.35105  1.71222      1.35105  1.71222      1.35105  1.10118  0.445656  ?        ?         
1 1 1 3  0  34 o 4.08774  0.181143  16.8742      1.47431  16.8742      1.47431  16.8742      1.47431  4.09785  0.12748   ?        ?         
1 1 1 3  0  35 f 1.08445  0.550181  1.817        1.47445  1.817        1.47445  1.817        1.47445  1.12291  0.467526  ?        ?         
1 1 1 3  0  36 o 0.572597 0.398989  -1.17835     1.56779  -1.17835     1.56779  -1.17835     1.56779  0.448331 0.31833   ?        ?         
1 1 1 3  0  37 f 0.501532 0.358733  -1.77247     1.48303  -1.77247     1.48303  -1.77247     1.48303  0.383044 0.277838  ?        ?         
1 1 1 3  0  38 o 0.644652 0.429843  -0.215895    1.44314  -0.215895    1.44314  -0.215895    1.44314  0.536396 0.358609  ?        ?         
1 1 1 3  0  39 f 3.34169  0.239945  11.5215      1.58464  11.5215      1.58464  11.5215      1.58464  3.36841  0.167268  ?        ?         
1 1 1 3  0  40 o 1.75536  0.486109  3.89391      1.47422  3.89391      1.47422  3.89391      1.47422  1.8818   0.299876  ?        ?         
1 1 1 3  0  41 o 1.60166  0.530119  3.50174      1.50459  3.50174      1.50459  3.50174      1.50459  1.75075  0.341377  ?        ?         
1 1 1 3  0  42 o 0.526921 0.370835  -1.13541     1.42338  -1.13541     1.42338  -1.13541     1.42338  0.415266 0.296694  ?        ?         
1 1 1 3  0  43 o 0.827157 0.495968  1.05172      1.43607  1.05172      1.43607  1.05172      1.43607  0.800154 0.442031  ?        ?         
1 1 1 3  0  44 o 0.852331 0.494413  1.25794      1.35218  1.25794      1.35218  1.25794      1.35218  0.858737 0.441385  ?        ?         
1 1 1 3  0  45 o 0.793507 0.484253  1.07061      1.4219   1.07061      1.4219   1.07061      1.4219   0.779186 0.436004  ?        ?         
1 1 1 3  0  46 f 0.498707 0.363502  -2.3382      1.86045  -2.3382      1.86045  -2.3382      1.86045  0.394368 0.290069  ?        ?         
1 1 1 3  0  47 o 0.45237  0.338129  -5.17513     2.34639  -5.17513     2.34639  -5.17513     2.34639  0.353421 0.265588  ?        ?         
1 1 1 3  1  0  o 0.34438  0.235449  -0.250262    0.483236 -0.250262    0.483236 -0.250262    0.483236 0.273209 0.189802  ?        ?         
1 1 1 3  1  1  o 13.4671  0.126147  181.395      3.39767  179.839      4.76172  183.009      4.84953  13.408   0.17757   13.5256  0.179272  
1 1 1 3  1  2  o 17.9213  0.131446  321.233      4.71137  320.91       6.74269  321.542      6.58585  17.9104  0.188234  17.9282  0.183673  
1 1 1 3  1  3  o 40.9042  0.285166  1674.74      23.329   1660.84      32.3686  1689.77      33.6533  40.7146  0.397507  41.0653  0.409754  
1 1 1 3  1  4  o 36.6517  0.2471    1344.47      18.1132  1356.11      25.2816  1332.2       25.964   36.7946  0.34355   36.4666  0.355997  
1 1 1 3  1  5  o 7.57443  0.0545223 57.3747      0.825951 55.9675      1.11957  59.0553      1.22348  7.4808   0.0748294 7.68435  0.0796083 
1 1 1 3  1  6  o 27.9508  0.188739  781.741      10.5508  781.146      15.2437  782.289      14.6182  27.9302  0.272889  27.9522  0.261486  
1 1 1 3  1  7  o 21.0933  0.140046  445.099      5.90809  442.003      8.30155  448.276      8.41012  21.0158  0.197508  21.1643  0.198687  
1 1 1 3  1  8  o 15.542   0.106698  241.611      3.31661  240.088      4.76568  243.041      4.61857  15.4909  0.153822  15.5861  0.148163  
1 1 1 3  1  9  o 10.0649  0.0725758 101.315      1.46094  98.7777      1.97887  104.354      2.16594  9.93757  0.0995653 10.2141  0.106027  
1 1 1 3  1  10 f 31.9469  0.218414  1021.77      13.9553  1019.75      19.4839  1023.89      19.9977  31.8977  0.305412  31.9607  0.312847  
1 1 1 3  1  11 f 15.2887  0.11366   233.819      3.47543  231.467      4.86955  236.261      4.96174  15.2091  0.160087  15.3657  0.161455  
1 1 1 3  1  12 f 11.849   0.100658  140.436      2.3854   140.204      3.42036  140.656      3.32844  11.8375  0.144471  11.8568  0.14036   
1 1 1 3  1  13 o 7.66914  0.0697966 58.8236      1.07056  58.7976      1.49526  58.8509      1.53346  7.66696  0.0975134 7.67038  0.0999599 
1 1 1 3  1  14 f 3.24717  0.0871917 10.5463      0.566253 11.6322      0.816886 9.54196      0.785633 3.40993  0.11978   3.08832  0.127194  
1 1 1 3  1  15 o 13.3649  0.0945693 178.66       2.52781  180.665      3.60976  176.731      3.54096  13.4381  0.134311  13.291   0.133209  
1 1 1 3  1  16 o 5.73849  0.0650661 32.9336      0.746763 32.2483      1.04337  33.6533      1.06927  5.67818  0.0918752 5.80055  0.0921699 
1 1 1 3  1  17 o 14.4788  0.102294  209.681      2.96218  210.719      4.2073   208.66       4.17125  14.513   0.144949  14.4419  0.144414  
1 1 1 3  1  18 o 4.26975  0.0798277 18.2327      0.681689 18.1857      0.962094 18.28        0.966026 4.26402  0.112815  4.27506  0.112984  
1 1 1 3  1  19 o 14.2596  0.102971  203.368      2.93664  201.991      4.12973  204.776      4.17676  14.2101  0.14531   14.3077  0.145962  
1 1 1 3  1  20 o 16.4571  0.116363  270.893      3.83     269.848      5.40119  271.949      5.43183  16.4237  0.164433  16.4874  0.164726  
1 1 1 3  1  21 o 19.0214  0.132149  361.921      5.02732  358.918      7.06345  365.004      7.15687  18.9394  0.186475  19.0993  0.18736   
1 1 1 3  1  22 o 10.787   0.0901595 116.378      1.9451   116.021      2.74531  116.738      2.75628  10.7695  0.127457  10.8027  0.127573  
1 1 1 3  1  23 o 12.0782  0.0980511 145.913      2.36856  145.278      3.34069  146.555      3.35866  12.0506  0.138611  12.1034  0.138749  
1 1 1 3  1  24 o 7.58085  0.116312  57.4894      1.76349  59.2435      2.48447  55.7083      2.50356  7.69437  0.161447  7.46107  0.167775  
1 1 1 3  1  25 o 7.91433  0.104438  62.6576      1.65311  62.2557      2.30798  63.0811      2.36891  7.88762  0.146304  7.93963  0.149183  
1 1 1 3  1  26 o 1.13868  0.422885  1.00192      1.28291  -0.685205    1.80285  2.7326       1.82598  1.00331  0.445864  1.6443   0.505986  
1 1 1 3  1  27 o 8.23078  0.102101  67.783       1.68073  65.8731      2.31918  69.8958      2.43919  8.11188  0.14295   8.3557   0.14596   
1 1 1 3  1  28 o 6.40116  0.105749  41.0048      1.35383  41.6054      1.92963  40.4225      1.89992  6.44544  0.149689  6.35316  0.149526  
1 1 1 3  1  29 o 3.57467  0.150274  12.8032      1.07436  13.0909      1.51972  12.5158      1.51902  3.61121  0.210418  3.53069  0.215117  
1 1 1 3  1  30 o 5.87139  0.107137  34.5173      1.25809  35.5981      1.79621  33.4764      1.76268  5.95888  0.150717  5.7784   0.152523  
1 1 1 3  1  31 o 6.81818  0.101552  46.5542      1.3848   45.0874      1.94289  48.0689      1.97431  6.70492  0.144885  6.92339  0.142582  
1 1 1 3  1  32 o 1.23231  0.363632  1.57791      0.956856 0.305963     1.33384  2.92645      1.37342  0.992068 0.411045  1.65464  0.415309  
1 1 1 3  1  33 o 1.13597  0.364631  1.30046      0.937424 -0.13095     1.32329  2.74241      1.32816  0.908167 0.393835  1.5987   0.41269   
1 1 1 3  1  34 o 1.32655  0.344028  1.87801      0.920247 0.869578     1.30275  2.88235      1.30011  1.09224  0.42089   1.63435  0.400363  
1 1 1 3  1  35 o 3.61879  0.165452  13.2027      1.19747  14.3295      1.68009  12.0393      1.70719  3.75761  0.223559  3.4384   0.248253  
1 1 1 3  1  36 o 2.77528  0.214355  7.83007      1.18979  6.90928      1.72691  8.66209      1.64157  2.57653  0.335123  2.90128  0.282904  
1 1 1 3  1  37 o 1.88435  0.294281  3.6725       1.10906  3.85323      1.55726  3.48648      1.57987  1.86363  0.42678   1.76546  0.446821  
1 1 1 3  1  38 o 0.841989 0.357107  0.144667     1.04518  0.175123     1.50814  0.11652      1.44981  0.991837 0.425068  0.965613 0.415396  
1 1 1 3  1  39 o 4.09145  0.142855  16.9392      1.16897  18.201       1.66342  15.7081      1.6431   4.21863  0.197152  3.91327  0.209939  
1 1 1 3  1  40 o 1.47674  0.35016   2.44628      1.01982  2.1866       1.43977  2.70776      1.44473  1.38327  0.452364  1.52175  0.446114  
1 1 1 3  1  41 o 1.3534   0.373929  2.09665      1.0451   3.25908      1.47143  0.913254     1.48464  1.65656  0.43755   1.08953  0.440104  
1 1 1 3  1  42 o 2.26174  0.233969  5.37778      1.05836  5.71822      1.4838   5.0252       1.51002  2.28102  0.32525   2.08701  0.37544   
1 1 1 3  1  43 o 1.02413  0.376756  1.13744      1.01423  -0.213554    1.4302   2.50417      1.4385   0.85646  0.38812   1.39288  0.452152  
1 1 1 3  1  44 o 0.662461 0.305517  -0.433629    0.945094 0.735322     1.33857  -1.5956      1.33457  0.961036 0.405688  0.665186 0.322234  
1 1 1 3  1  45 o 0.660979 0.308708  -0.497967    1.00478  -0.467106    1.41283  -0.52955     1.42926  0.779266 0.364726  0.776368 0.363989  
1 1 1 3  1  46 o 0.909651 0.394919  0.928796     1.33338  0.873565     1.88734  0.983834     1.88403  0.94717  0.434745  0.959    0.43774   
1 1 1 3  1  47 o 0.809384 0.387693  0.303476     1.78387  2.49411      2.72402  -1.34138     2.36042  0.990559 0.475585  0.767334 0.382411  
1 1 1 3  2  0  o 22.1107  0.292581  489.369      12.9333  489.369      12.9333  489.369      12.9333  22.1161  0.206795  ?        ?         
1 1 1 3  2  1  o 31.0776  0.269163  966.585      16.7299  947.372      21.0516  999.519      27.562   30.759   0.342202  31.5811  0.436368  
1 1 1 3  2  2  o 31.6359  0.231809  1001.42      14.667   1004.92      21.0756  998.128      20.4241  31.6806  0.332626  31.5745  0.323428  
1 1 1 3  2  3  o 18.1815  0.120535  330.625      4.38302  329.573      6.17835  331.691      6.2189   18.1508  0.170195  18.209   0.170764  
1 1 1 3  2  4  o 10.9617  0.0740314 120.168      1.62302  118.3        2.26308  122.146      2.32892  10.8757  0.104043  11.0511  0.105371  
1 1 1 3  2  5  o 11.0802  0.0783615 122.783      1.73653  121.171      2.42527  124.48       2.48756  11.0066  0.110173  11.1559  0.11149   
1 1 1 3  2  6  o 19.6479  0.133264  386.165      5.23671  385.672      7.2405   386.705      7.58302  19.6324  0.184402  19.6581  0.192872  
1 1 1 3  2  7  o 19.4197  0.131976  377.253      5.12584  375.995      7.22612  378.527      7.27218  19.3839  0.186395  19.449   0.186955  
1 1 1 3  2  8  o 25.3463  0.173511  642.843      8.79571  635.752      12.7402  649.301      12.1582  25.1968  0.252815  25.4658  0.238716  
1 1 1 3  2  9  o 45.9963  0.310466  2120.27      28.5605  2122.68      39.5813  2117.66      41.2518  45.9752  0.430464  45.912   0.449248  
1 1 1 3  2  10 o 5.18449  0.0502795 26.8806      0.521347 26.4415      0.72257  27.3573      0.752962 5.14182  0.070264  5.23009  0.0719836 
1 1 1 3  2  11 o 19.2407  0.151073  370.419      5.8135   369.571      8.08873  371.325      8.36109  19.2134  0.210497  19.2583  0.217078  
1 1 1 3  2  12 o 10.955   0.0904139 120.038      1.98097  119.984      2.80067  120.091      2.80236  10.9514  0.127868  10.9563  0.127889  
1 1 1 3  2  13 o 13.7427  0.113732  188.93       3.12597  188.195      4.4165   189.668      4.42509  13.7135  0.161027  13.7671  0.160712  
1 1 1 3  2  14 o 7.83827  0.0738397 61.4477      1.15755  61.811       1.64418  61.0906      1.62996  7.86082  0.104581  7.81488  0.104286  
1 1 1 3  2  15 f 7.90627  0.0688364 62.5166      1.08848  62.0078      1.5326   63.0345      1.54618  7.87355  0.0973255 7.93847  0.0973853 
1 1 1 3  2  16 f 2.98061  0.0878386 8.88567      0.523625 8.94942      0.739653 8.82162      0.741387 2.99101  0.123646  2.96956  0.124831  
1 1 1 3  2  17 o 2.38031  0.113487  5.66734      0.54027  5.37138      0.76434  5.96287      0.763775 2.31698  0.164943  2.44129  0.156429  
1 1 1 3  2  18 o 1.50556  0.186498  2.26797      0.561567 1.78262      0.785997 2.77407      0.802616 1.30801  0.305655  1.66476  0.241061  
1 1 1 3  2  19 o 9.86743  0.0881258 97.3773      1.73915  94.9925      2.44825  99.8065      2.47097  9.74526  0.125612  9.98917  0.123682  
1 1 1 3  2  20 o 13.8535  0.101465  191.95       2.81128  190.925      3.96025  192.991      3.99145  13.8154  0.143327  13.8899  0.143682  
1 1 1 3  2  21 o 2.46785  0.148676  6.09263      0.733823 5.88119      1.03421  6.30701      1.04139  2.42415  0.213313  2.51043  0.207414  
1 1 1 3  2  22 o 8.23295  0.0835589 67.7913      1.37587  66.369       1.92603  69.2733      1.96615  8.14555  0.118226  8.32186  0.118131  
1 1 1 3  2  23 o 7.63381  0.0884937 58.2851      1.35109  57.4793      1.9037   59.1029      1.91783  7.58018  0.125571  7.68652  0.124753  
1 1 1 3  2  24 o 2.74062  0.225373  7.52092      1.23532  7.21892      1.74238  7.82616      1.75168  2.6831   0.324695  2.79393  0.31348   
1 1 1 3  2  25 o 8.71147  0.103691  75.915       1.80661  77.7756      2.59935  74.1763      2.51271  8.81607  0.147421  8.60972  0.145923  
1 1 1 3  2  26 o 6.35931  0.121512  40.4655      1.54546  38.5485      2.17083  42.4356      2.2007   6.20477  0.174932  6.51037  0.169015  
1 1 1 3  2  27 o 10.3295  0.104692  106.76       2.16282  105.361      2.99503  108.285      3.12659  10.2588  0.145974  10.3998  0.15032   
1 1 1 3  2  28 o 8.71438  0.0974333 75.988       1.69814  76.6097      2.41129  75.3762      2.3919   8.74714  0.137833  8.67644  0.137839  
1 1 1 3  2  29 o 7.83296  0.097919  61.4067      1.53399  60.615       2.15581  62.2186      2.18323  7.77902  0.138566  7.88126  0.138508  
1 1 1 3  2  30 o 2.84662  0.180388  8.13268      1.02699  7.7886       1.46001  8.46967      1.44488  2.7801   0.262582  2.90021  0.249098  
1 1 1 3  2  31 o 0.732075 0.327254  -0.412553    0.984258 -1.5711      1.39332  0.741444     1.39058  0.748179 0.352874  1.09821  0.432231  
1 1 1 3  2  32 o 4.98694  0.115077  24.9255      1.14777  24.1758      1.60754  25.7052      1.63931  4.90563  0.163846  5.05867  0.16203   
1 1 1 3  2  33 o 1.63384  0.299374  2.80025      0.941798 1.85212      1.3217   3.77823      1.34235  1.34694  0.433025  1.88783  0.368678  
1 1 1 3  2  34 o 2.62725  0.180843  6.95815      0.950237 7.55457      1.35733  6.38485      1.33075  2.72784  0.248791  2.50515  0.265602  
1 1 1 3  2  35 o 2.66159  0.216895  7.18406      1.15457  7.24078      1.62583  7.12635      1.63988  2.6539   0.306309  2.6316   0.311575  
1 1 1 3  2  36 o 2.43213  0.247017  6.04563      1.20155  3.81192      1.69971  8.27695      1.6988   1.84762  0.460972  2.83108  0.300026  
1 1 1 3  2  37 o 0.830898 0.356478  0.0269882    1.06269  -0.40538     1.50855  0.452899     1.49724  0.913624 0.406863  1.046    0.434572  
1 1 1 3  2  38 o 1.34048  0.385147  1.98489      1.08747  2.35508      1.55503  1.63057      1.52135  1.45564  0.469869  1.27896  0.462312  
1 1 1 3  2  39 o 3.17119  0.175709  10.2379      1.11441  10.4777      1.58527  10.0037      1.56692  3.17959  0.249289  3.10553  0.252279  
1 1 1 3  2  40 o 3.34868  0.166032  11.4253      1.11197  10.2724      1.56434  12.6027      1.58093  3.13902  0.249177  3.48926  0.226542  
1 1 1 3  2  41 f 0.961312 0.375113  0.758038     1.04155  0.797523     1.47215  0.718465     1.47379  1.06517  0.43529   1.0512   0.433546  
1 1 1 3  2  42 o 2.03458  0.255307  4.39435      1.03889  4.90926      1.46171  3.86874      1.47681  2.09893  0.348205  1.79562  0.418563  
1 1 1 3  2  43 o 0.80983  0.347382  0.233452     1.00886  2.11869      1.43576  -1.60512     1.41788  1.2949   0.450962  0.702147 0.33857   
1 1 1 3  2  44 f 0.817019 0.342792  0.423239     0.946087 1.88558      1.34413  -1.01261     1.3319   1.20464  0.43464   0.718671 0.341527  
1 1 1 3  2  45 f 1.56937  0.351041  3.11445      1.07401  2.67923      1.50645  3.56434      1.53163  1.33511  0.46222   1.55397  0.460486  
1 1 1 3  2  46 o 0.677129 0.326767  -0.944469    1.32721  -1.11119     1.89209  -0.782978    1.86219  0.776691 0.378353  0.794595 0.384159  
1 1 1 3  2  47 o 0.839632 0.400636  0.620066     1.85893  0.352667     2.68182  0.867363     2.57905  0.867233 0.427564  0.890001 0.435125  
1 1 1 3  3  0  o 26.5267  0.46115   705.123      24.449   705.123      24.449   705.123      24.449   26.5402  0.325806  ?        ?         
1 1 1 3  3  1  o 6.36321  0.0778757 40.51        0.990746 40.51        0.990746 40.51        0.990746 6.36398  0.0550505 ?        ?         
1 1 1 3  3  2  o 15.8901  0.172272  252.627      5.4734   252.627      5.4734   252.627      5.4734   15.8921  0.121783  ?        ?         
1 1 1 3  3  3  o 18.6927  0.178857  349.587      6.68526  349.587      6.68526  349.587      6.68526  18.695   0.126443  ?        ?         
1 1 1 3  3  4  o 2.51744  0.050126  6.34518      0.252153 6.34518      0.252153 6.34518      0.252153 2.51821  0.0354178 ?        ?         
1 1 1 3  3  5  o 1.49033  0.0786243 2.23969      0.232863 2.23969      0.232863 2.23969      0.232863 1.49348  0.0552981 ?        ?         
1 1 1 3  3  6  o 4.44681  0.0620563 19.7863      0.551663 19.7863      0.551663 19.7863      0.551663 4.4475   0.043864  ?        ?         
1 1 1 3  3  7  o 12.7735  0.127726  163.238      3.26227  163.238      3.26227  163.238      3.26227  12.775   0.0902951 ?        ?         
1 1 1 3  3  8  o 10.9741  0.111972  120.484      2.45701  120.484      2.45701  120.484      2.45701  10.9753  0.0791584 ?        ?         
1 1 1 3  3  9  o 41.6446  0.397841  1737.88      33.129   1737.88      33.129   1737.88      33.129   41.6661  0.281142  ?        ?         
1 1 1 3  3  10 o 21.7029  0.209099  471.395      9.07423  471.395      9.07423  471.395      9.07423  21.7072  0.147811  ?        ?         
1 1 1 3  3  11 o 16.5606  0.183135  274.471      6.06398  274.471      6.06398  274.471      6.06398  16.5639  0.129452  ?        ?         
1 1 1 3  3  12 o 3.13528  0.0991559 9.86074      0.620355 9.86074      0.620355 9.86074      0.620355 3.13774  0.0699788 ?        ?         
1 1 1 3  3  13 o 9.40343  0.122709  88.4881      2.30689  88.4881      2.30689  88.4881      2.30689  9.40512  0.0867361 ?        ?         
1 1 1 3  3  14 o 18.1924  0.196455  331.253      7.14612  331.253      7.14612  331.253      7.14612  18.1964  0.138866  ?        ?         
1 1 1 3  3  15 o 10.236   0.114482  104.833      2.34303  104.833      2.34303  104.833      2.34303  10.2374  0.0809289 ?        ?         
1 1 1 3  3  16 o 21.8105  0.208019  476.07       9.07212  476.07       9.07212  476.07       9.07212  21.8147  0.147048  ?        ?         
1 1 1 3  3  17 o 4.03102  0.108465  16.2862      0.873016 16.2862      0.873016 16.2862      0.873016 4.03332  0.0765892 ?        ?         
1 1 1 3  3  18 o 3.22873  0.135339  10.4811      0.870453 10.4811      0.870453 10.4811      0.870453 3.23312  0.0953751 ?        ?         
1 1 1 3  3  19 o 7.14677  0.105412  51.1138      1.50597  51.1138      1.50597  51.1138      1.50597  7.14808  0.0745056 ?        ?         
1 1 1 3  3  20 o 5.11873  0.115056  26.2436      1.17654  26.2436      1.17654  26.2436      1.17654  5.12079  0.0812775 ?        ?         
1 1 1 3  3  21 o 3.66543  0.148175  13.5037      1.08222  13.5037      1.08222  13.5037      1.08222  3.67011  0.104445  ?        ?         
1 1 1 3  3  22 f 10.5654  0.126832  111.694      2.67919  111.694      2.67919  111.694      2.67919  10.5669  0.089656  ?        ?         
1 1 1 3  3  23 o 3.87988  0.1789    15.1546      1.3815   15.1546      1.3815   15.1546      1.3815   3.88643  0.125976  ?        ?         
1 1 1 3  3  24 o 0.69577  0.458722  -0.194114    1.57094  -0.194114    1.57094  -0.194114    1.57094  0.576165 0.38207   ?        ?         
1 1 1 3  3  25 o 11.441   0.159308  131.024      3.64369  131.024      3.64369  131.024      3.64369  11.4438  0.112596  ?        ?         
1 1 1 3  3  26 o 3.97983  0.225589  16.008       1.78242  16.008       1.78242  16.008       1.78242  3.99052  0.158487  ?        ?         
1 1 1 3  3  27 o 4.59313  0.18946   21.2245      1.73369  21.2245      1.73369  21.2245      1.73369  4.60011  0.133502  ?        ?         
1 1 1 3  3  28 o 3.19916  0.23883   10.4237      1.50853  10.4237      1.50853  10.4237      1.50853  3.21414  0.166966  ?        ?         
1 1 1 3  3  29 o 9.37866  0.137479  88.0896      2.57749  88.0896      2.57749  88.0896      2.57749  9.38213  0.0971529 ?        ?         
1 1 1 3  3  30 o 4.84185  0.169178  23.5668      1.63373  23.5668      1.63373  23.5668      1.63373  4.84822  0.119302  ?        ?         
1 1 1 3  3  31 o 1.99595  0.405422  4.47924      1.43215  4.47924      1.43215  4.47924      1.43215  2.06671  0.253622  ?        ?         
1 1 1 3  3  32 o 7.18322  0.141508  51.7471      2.03119  51.7471      2.03119  51.7471      2.03119  7.18836  0.0999457 ?        ?         
1 1 1 3  3  33 o 1.36426  0.520736  2.57374      1.33253  2.57374      1.33253  2.57374      1.33253  1.47731  0.369033  ?        ?         
1 1 1 3  3  34 o 4.64819  0.168926  21.7675      1.56569  21.7675      1.56569  21.7675      1.56569  4.65693  0.119043  ?        ?         
1 1 1 3  3  35 o 1.71139  0.520067  3.7249       1.55068  3.7249       1.55068  3.7249       1.55068  1.83549  0.330869  ?        ?         
1 1 1 3  3  36 o 1.14193  0.576169  2.04428      1.61185  2.04428      1.61185  2.04428      1.61185  1.19101  0.487615  ?        ?         
1 1 1 3  3  37 o 1.0765   0.555477  1.81767      1.51769  1.81767      1.51769  1.81767      1.51769  1.11211  0.475697  ?        ?         
1 1 1 3  3  38 o 2.00376  0.450692  4.72887      1.57351  4.72887      1.57351  4.72887      1.57351  2.10449  0.274836  ?        ?         
1 1 1 3  3  39 o 2.87981  0.274755  8.69357      1.5494   8.69357      1.5494   8.69357      1.5494   2.91512  0.189759  ?        ?         
1 1 1 3  3  40 o 0.557913 0.387699  -0.893996    1.43441  -0.893996    1.43441  -0.893996    1.43441  0.444251 0.312766  ?        ?         
1 1 1 3  3  41 o 0.78901  0.484844  0.74287      1.44571  0.74287      1.44571  0.74287      1.44571  0.728608 0.426651  ?        ?         
1 1 1 3  3  42 f 0.524413 0.369755  -1.17247     1.42798  -1.17247     1.42798  -1.17247     1.42798  0.412666 0.295356  ?        ?         
1 1 1 3  3  43 o 0.692409 0.448421  0.333148     1.42042  0.333148     1.42042  0.333148     1.42042  0.614558 0.389256  ?        ?         
1 1 1 3  3  44 o 0.514022 0.36068   -0.878444    1.32681  -0.878444    1.32681  -0.878444    1.32681  0.412117 0.292666  ?        ?         
1 1 1 3  3  45 o 0.914314 0.529421  1.6298       1.54598  1.6298       1.54598  1.6298       1.54598  0.95319  0.475583  ?        ?         
1 1 1 3  3  46 f 0.602924 0.421897  -0.511576    1.79069  -0.511576    1.79069  -0.511576    1.79069  0.514828 0.358687  ?        ?         
1 1 1 3  3  47 o 0.513192 0.380199  -3.42507     2.44814  -3.42507     2.44814  -3.42507     2.44814  0.415968 0.308687  ?        ?         
1 1 1 4  0  0  o 13.806   0.283103  190.928      7.80961  190.928      7.80961  190.928      7.80961  13.8118  0.200005  ?        ?         
1 1 1 4  0  1  o 6.06243  0.0815627 36.7743      0.988532 36.7743      0.988532 36.7743      0.988532 6.0633   0.0576534 ?        ?         
1 1 1 4  0  2  o 20.7011  0.207193  428.766      8.57634  428.766      8.57634  428.766      8.57634  20.7038  0.146472  ?        ?         
1 1 1 4  0  3  o 4.18517  0.0519357 17.524       0.434569 17.524       0.434569 17.524       0.434569 4.18567  0.0367133 ?        ?         
1 1 1 4  0  4  o 22.0312  0.22033   485.684      9.70608  485.684      9.70608  485.684      9.70608  22.0347  0.155755  ?        ?         
1 1 1 4  0  5  o 12.26    0.119178  150.367      2.92161  150.367      2.92161  150.367      2.92161  12.2612  0.0842541 ?        ?         
1 1 1 4  0  6  f 13.935   0.132239  194.267      3.68476  194.267      3.68476  194.267      3.68476  13.9365  0.0934881 ?        ?         
1 1 1 4  0  7  o 20.112   0.189188  404.74       7.60837  404.74       7.60837  404.74       7.60837  20.115   0.133742  ?        ?         
1 1 1 4  0  8  o 8.38522  0.0916934 70.3434      1.53733  70.3434      1.53733  70.3434      1.53733  8.38616  0.0648211 ?        ?         
1 1 1 4  0  9  o 18.3479  0.173696  336.849      6.37262  336.849      6.37262  336.849      6.37262  18.3506  0.122791  ?        ?         
1 1 1 4  0  10 o 3.51536  0.0775324 12.3766      0.544509 12.3766      0.544509 12.3766      0.544509 3.5167   0.0547725 ?        ?         
1 1 1 4  0  11 o 3.72981  0.0824068 13.933       0.614046 13.933       0.614046 13.933       0.614046 3.73126  0.0582156 ?        ?         
1 1 1 4  0  12 o 1.54943  0.193309  2.51208      0.578033 2.51208      0.578033 2.51208      0.578033 1.5682   0.132494  ?        ?         
1 1 1 4  0  13 o 4.8593   0.0895595 23.6394      0.869726 23.6394      0.869726 23.6394      0.869726 4.86067  0.0632859 ?        ?         
1 1 1 4  0  14 o 23.8912  0.269037  571.569      12.8515  571.569      12.8515  571.569      12.8515  23.8993  0.190146  ?        ?         
1 1 1 4  0  15 o 0.639198 0.348547  0.580988     0.623207 0.580988     0.623207 0.580988     0.623207 0.626964 0.303597  ?        ?         
1 1 1 4  0  16 o 6.1943   0.0926737 38.399       1.14752  38.399       1.14752  38.399       1.14752  6.19549  0.065501  ?        ?         
1 1 1 4  0  17 o 1.30023  0.328592  1.98356      0.737918 1.98356      0.737918 1.98356      0.737918 1.36454  0.205141  ?        ?         
1 1 1 4  0  18 o 26.4599  0.251187  700.672      13.2901  700.672      13.2901  700.672      13.2901  26.465   0.177564  ?        ?         
1 1 1 4  0  19 o 4.91164  0.112847  24.1647      1.10721  24.1647      1.10721  24.1647      1.10721  4.9137   0.0797137 ?        ?         
1 1 1 4  0  20 o 25.6288  0.244462  657.308      12.528   657.308      12.528   657.308      12.528   25.6333  0.172812  ?        ?         
1 1 1 4  0  21 o 12.6087  0.136655  159.061      3.44517  159.061      3.44517  159.061      3.44517  12.6103  0.0966042 ?        ?         
1 1 1 4  0  22 o 7.93437  0.117863  63.0049      1.86941  63.0049      1.86941  63.0049      1.86941  7.93597  0.0833043 ?        ?         
1 1 1 4  0  23 o 1.27728  0.511462  2.26709      1.26233  2.26709      1.26233  2.26709      1.26233  1.37402  0.376268  ?        ?         
1 1 1 4  0  24 o 3.07342  0.289976  9.70568      1.74598  9.70568      1.74598  9.70568      1.74598  3.09508  0.2014    ?        ?         
1 1 1 4  0  25 o 3.62901  0.236123  13.3474      1.69714  13.3474      1.69714  13.3474      1.69714  3.64139  0.16556   ?        ?         
1 1 1 4  0  26 o 2.88633  0.314541  8.64003      1.7665   8.64003      1.7665   8.64003      1.7665   2.91399  0.217099  ?        ?         
1 1 1 4  0  27 o 8.44434  0.146602  71.4118      2.47423  71.4118      2.47423  71.4118      2.47423  8.44745  0.10359   ?        ?         
1 1 1 4  0  28 f 7.97489  0.139463  63.6978      2.22287  63.6978      2.22287  63.6978      2.22287  7.97798  0.0985431 ?        ?         
1 1 1 4  0  29 o 0.861339 0.500215  0.947641     1.38668  0.947641     1.38668  0.947641     1.38668  0.809847 0.438457  ?        ?         
1 1 1 4  0  30 o 1.50124  0.524724  2.9784       1.423    2.9784       1.423    2.9784       1.423    1.61701  0.356043  ?        ?         
1 1 1 4  0  31 o 4.92884  0.16745   24.4246      1.64635  24.4246      1.64635  24.4246      1.64635  4.9355   0.118088  ?        ?         
1 1 1 4  0  32 o 1.97019  0.388017  4.34397      1.35881  4.34397      1.35881  4.34397      1.35881  2.03684  0.243767  ?        ?         
1 1 1 4  0  33 o 4.09001  0.183252  16.8855      1.49216  16.8855      1.49216  16.8855      1.49216  4.09968  0.128972  ?        ?         
1 1 1 4  0  34 o 2.75214  0.251385  7.81884      1.35715  7.81884      1.35715  7.81884      1.35715  2.77481  0.174503  ?        ?         
1 1 1 4  0  35 o 0.724793 0.468298  0.143821     1.53569  0.143821     1.53569  0.143821     1.53569  0.620522 0.398441  ?        ?         
1 1 1 4  0  36 o 3.12995  0.275496  10.152       1.69384  10.152       1.69384  10.152       1.69384  3.15874  0.191194  ?        ?         
1 1 1 4  0  37 o 0.768902 0.483088  0.466351     1.51369  0.466351     1.51369  0.466351     1.51369  0.680752 0.417744  ?        ?         
1 1 1 4  0  38 o 1.16247  0.555339  2.12669      1.46958  2.12669      1.46958  2.12669      1.46958  1.24261  0.454742  ?        ?         
1 1 1 4  0  39 o 3.17975  0.251059  10.4794      1.57372  10.4794      1.57372  10.4794      1.57372  3.20901  0.174565  ?        ?         
1 1 1 4  0  40 o 0.675003 0.44199   0.0703237    1.4276   0.0703237    1.4276   0.0703237    1.4276   0.577746 0.375611  ?        ?         
1 1 1 4  0  41 o 2.21712  0.377666  5.547        1.52871  5.547        1.52871  5.547        1.52871  2.29377  0.241776  ?        ?         
1 1 1 4  0  42 o 0.549503 0.382301  -0.904594    1.42801  -0.904594    1.42801  -0.904594    1.42801  0.438535 0.309633  ?        ?         
1 1 1 4  0  43 o 0.662787 0.435914  0.152756     1.40714  0.152756     1.40714  0.152756     1.40714  0.576787 0.37416   ?        ?         
1 1 1 4  0  44 o 2.11886  0.366259  5.25338      1.41298  5.25338      1.41298  5.25338      1.41298  2.21463  0.231354  ?        ?         
1 1 1 4  0  45 o 0.623541 0.418621  0.0193832    1.42112  0.0193832    1.42112  0.0193832    1.42112  0.54108  0.360258  ?        ?         
1 1 1 4  0  46 o 0.603968 0.424989  -0.651457    1.86794  -0.651457    1.86794  -0.651457    1.86794  0.512168 0.359519  ?        ?         
1 1 1 4  0  47 o 0.8401   0.559776  2.08855      2.43729  2.08855      2.43729  2.08855      2.43729  0.887084 0.537446  ?        ?         
1 1 1 4  1  0  o 4.45817  0.0682396 19.8897      0.608126 19.8897      0.608126 19.8897      0.608126 4.45898  0.0482312 ?        ?         
1 1 1 4  1  1  o 20.0494  0.167649  402.103      6.72255  394.532      9.66137  409.21       9.36002  19.8562  0.243284  20.2228  0.231423  
1 1 1 4  1  2  o 8.37775  0.0706826 70.1905      1.18432  73.1029      1.7677   67.8185      1.5953   8.54951  0.10338   8.23476  0.0968638 
1 1 1 4  1  3  o 11.7468  0.0820011 137.998      1.9265   140.283      2.64925  135.434      2.8065   11.8432  0.111847  11.6365  0.12059   
1 1 1 4  1  4  o 19.3015  0.135067  372.645      5.21397  368.037      7.37254  377.256      7.3748   19.179   0.192203  19.4179  0.189897  
1 1 1 4  1  5  o 21.5753  0.149229  465.663      6.43934  466.319      8.92122  464.951      9.30402  21.5867  0.206637  21.5544  0.215827  
1 1 1 4  1  6  o 7.14611  0.0529944 51.0694      0.757407 51.2797      1.09664  50.8776      1.04733  7.1606   0.0765747 7.1325   0.0734196 
1 1 1 4  1  7  o 25.8723  0.171411  669.762      8.86957  658.028      12.3388  682.308      12.7586  25.6372  0.240643  26.1054  0.244368  
1 1 1 4  1  8  o 3.88551  0.0440298 15.0978      0.342156 15.4359      0.488677 14.7726      0.479227 3.9287   0.0621932 3.84335  0.0623449 
1 1 1 4  1  9  o 33.449   0.22378   1120.11      14.9704  1114.66      21.3125  1125.41      21.033   33.3474  0.319553  33.5094  0.313838  
1 1 1 4  1  10 o 17.677   0.121424  312.589      4.29282  313.47       6.0863   311.716      6.05575  17.6988  0.171941  17.6492  0.171559  
1 1 1 4  1  11 o 15.29    0.119869  233.869      3.66558  236.211      5.09623  231.358      5.27628  15.3638  0.165852  15.2046  0.173509  
1 1 1 4  1  12 o 10.9752  0.0930872 120.482      2.0433   120.155      2.87826  120.816      2.90121  10.959   0.131319  10.9891  0.132004  
1 1 1 4  1  13 o 8.05896  0.078096  64.9577      1.25875  66.4492      1.89369  63.7771      1.68483  8.15012  0.116175  7.98483  0.105502  
1 1 1 4  1  14 o 13.4097  0.107412  179.876      2.88073  180.451      4.03425  179.278      4.11488  13.4291  0.150206  13.3852  0.153711  
1 1 1 4  1  15 o 7.82092  0.067767  61.1739      1.06     61.737       1.52371  60.6458      1.47558  7.85635  0.0969733 7.78665  0.0947508 
1 1 1 4  1  16 o 7.40333  0.0672019 54.8151      0.995035 53.9488      1.39523  55.7118      1.41947  7.34419  0.0949884 7.46322  0.0950978 
1 1 1 4  1  17 o 17.7695  0.12213   315.85       4.34037  317.958      6.17327  313.79       6.10373  17.8259  0.173154  17.7088  0.172336  
1 1 1 4  1  18 o 11.0842  0.0861038 122.874      1.90879  122.005      2.65644  123.802      2.74458  11.0443  0.120263  11.1253  0.123349  
1 1 1 4  1  19 o 5.84711  0.0758516 34.1916      0.887025 33.0998      1.24602  35.3133      1.26304  5.75274  0.108298  5.942    0.106281  
1 1 1 4  1  20 o 4.63545  0.0877394 21.4899      0.813423 21.1897      1.15434  21.786       1.14641  4.60268  0.125399  4.667    0.12282   
1 1 1 4  1  21 o 10.7305  0.0877982 115.16       1.88424  115.33       2.67009  114.991      2.65939  10.7377  0.124332  10.7219  0.124017  
1 1 1 4  1  22 o 6.69068  0.0842742 44.7717      1.1277   44.7581      1.59587  44.7853      1.59375  6.68917  0.119288  6.6912   0.119093  
1 1 1 4  1  23 o 4.74542  0.106702  22.5247      1.01269  22.3781      1.43028  22.672       1.43406  4.72935  0.151213  4.76031  0.150627  
1 1 1 4  1  24 o 6.1999   0.117374  38.4526      1.45541  38.474       2.05654  38.431       2.05999  6.2005   0.165837  6.19703  0.166208  
1 1 1 4  1  25 o 2.7263   0.216994  7.44358      1.18318  7.47278      1.69471  7.4158       1.65262  2.72954  0.310439  2.71929  0.30387   
1 1 1 4  1  26 o 9.32818  0.108052  87.0573      2.01586  83.8298      2.78451  90.6118      2.92217  9.1514   0.152136  9.5143   0.153567  
1 1 1 4  1  27 o 7.6998   0.105951  59.3225      1.63161  61.16        2.32914  57.5519      2.28633  7.81589  0.149     7.58173  0.150779  
1 1 1 4  1  28 f 2.63561  0.199298  6.96471      1.05055  7.78847      1.48925  6.14875      1.48217  2.78412  0.267454  2.47224  0.299764  
1 1 1 4  1  29 f 5.05433  0.114754  25.5757      1.16001  25.8849      1.63758  25.2643      1.64342  5.08192  0.161119  5.02046  0.163673  
1 1 1 4  1  30 o 2.87061  0.180121  8.27032      1.03411  7.75148      1.45898  8.79414      1.46596  2.77341  0.26303   2.95532  0.24802   
1 1 1 4  1  31 o 6.97843  0.1017    48.7689      1.41941  49.893       2.01951  47.6716      1.9954   7.05337  0.14316   6.89435  0.144713  
1 1 1 4  1  32 o 2.44244  0.201402  6.00673      0.983823 5.05735      1.38437  6.97546      1.39841  2.23051  0.310326  2.62519  0.266345  
1 1 1 4  1  33 o 3.38086  0.148403  11.4817      1.00346  10.4773      1.42423  12.4717      1.41403  3.22091  0.221091  3.51711  0.201022  
1 1 1 4  1  34 o 1.92703  0.240551  3.76661      0.9271   4.91471      1.31601  2.63541      1.30628  2.19268  0.300091  1.56258  0.412054  
1 1 1 4  1  35 o 4.00295  0.152396  16.1355      1.22007  16.1803      1.70447  16.0884      1.74719  3.99534  0.213308  3.98244  0.219362  
1 1 1 4  1  36 o 0.869443 0.369019  0.115386     1.1174   1.5488       1.64002  -1.12655     1.52655  1.29702  0.478842  0.831876 0.385414  
1 1 1 4  1  37 o 2.40933  0.232072  5.92885      1.11828  4.98769      1.57182  6.89354      1.59133  2.17766  0.360895  2.5772   0.308733  
1 1 1 4  1  38 o 1.66974  0.337925  3.03824      1.08907  2.07639      1.54158  3.99658      1.53877  1.386    0.468085  1.88626  0.418907  
1 1 1 4  1  39 o 4.06444  0.142775  16.7166      1.1606   16.0772      1.63126  17.3721      1.65161  3.96074  0.205929  4.11978  0.20045   
1 1 1 4  1  40 o 0.939984 0.370023  0.67103      1.01929  -0.997845    1.43917  2.35071      1.44382  0.797023 0.371165  1.42503  0.452032  
1 1 1 4  1  41 o 2.30948  0.235726  5.56147      1.08881  5.18346      1.52998  5.94936      1.54983  2.17558  0.351625  2.34249  0.330808  
1 1 1 4  1  42 o 0.828056 0.351051  0.25185      1.00935  0.398378     1.4203   0.102336     1.43469  0.96646  0.413291  0.923248 0.405197  
1 1 1 4  1  43 f 1.69496  0.311981  3.28416      1.01797  2.62088      1.43796  3.95053      1.44131  1.42251  0.451102  1.78472  0.411861  
1 1 1 4  1  44 o 1.06204  0.369101  1.35759      0.961396 1.07939      1.35484  1.63974      1.36445  1.02686  0.418269  1.14647  0.433816  
1 1 1 4  1  45 o 0.802998 0.347565  0.350953     1.02692  2.94042      1.49033  -1.98996     1.417    1.40246  0.460238  0.644776 0.317298  
1 1 1 4  1  46 o 0.776417 0.359133  0.0162798    1.3185   -0.228335    1.86658  0.259881     1.86271  0.839067 0.400627  0.881171 0.413556  
1 1 1 4  1  47 o 1.29889  0.501682  4.14416      1.85313  7.74091      2.79831  1.33473      2.47314  1.48288  0.602089  0.914922 0.442398  
1 1 1 4  2  0  o 6.88978  0.0809561 47.4905      1.11519  47.4905      1.11519  47.4905      1.11519  6.89056  0.0572293 ?        ?         
1 1 1 4  2  1  o 20.3387  0.16258   413.782      6.61334  425.951      9.19968  400.768      9.51355  20.6328  0.222939  20.0128  0.237687  
1 1 1 4  2  2  o 9.91057  0.0729911 98.2254      1.44677  98.6676      2.00447  97.7446      2.0903   9.93256  0.100904  9.88593  0.105721  
1 1 1 4  2  3  o 2.99745  0.0385182 8.98486      0.230912 7.71071      0.318292 10.4006      0.335507 2.77676  0.0573137 3.22493  0.0520176 
1 1 1 4  2  4  o 22.8289  0.154272  521.344      7.04371  517.815      10.1177  524.662      9.81194  22.747   0.222397  22.8975  0.214258  
1 1 1 4  2  5  o 19.9584  0.132453  398.455      5.2871   401.799      7.53638  395.214      7.41918  20.0389  0.188044  19.8741  0.186654  
1 1 1 4  2  6  o 22.9018  0.160396  524.738      7.34671  519.376      10.1698  530.59       10.6247  22.7792  0.223226  23.0231  0.230741  
1 1 1 4  2  7  f 5.19702  0.0456526 27.0101      0.474515 26.2223      0.651393 27.9008      0.692634 5.12056  0.0636057 5.28189  0.0655669 
1 1 1 4  2  8  o 28.0704  0.189856  788.555      10.6586  782.626      15.3029  794.141      14.8543  27.9527  0.273728  28.1592  0.263756  
1 1 1 4  2  9  o 8.516    0.0659683 72.5294      1.12357  70.1366      1.52632  75.3597      1.66002  8.37396  0.091135  8.68008  0.0956225 
1 1 1 4  2  10 o 36.9857  0.2473    1369.97      18.2932  1371.33      26.1753  1368.66      25.576   36.9751  0.353958  36.9415  0.346169  
1 1 1 4  2  11 o 6.86091  0.0668584 47.0774      0.917419 45.5999      1.26926  48.6938      1.32756  6.75201  0.0939912 6.97728  0.0951342 
1 1 1 4  2  12 o 7.12061  0.0651765 50.7088      0.928193 51.5166      1.32491  49.9302      1.30075  7.1767   0.0923061 7.06533  0.0920518 
1 1 1 4  2  13 o 6.56291  0.0727151 43.0781      0.954445 42.6969      1.34237  43.4678      1.35734  6.53334  0.102732  6.59205  0.102953  
1 1 1 4  2  14 f 5.49004  0.0687024 30.1444      0.754358 30.3882      1.07685  29.9095      1.05707  5.51184  0.0976855 5.46826  0.0966548 
1 1 1 4  2  15 o 11.881   0.0892257 141.187      2.12018  141.5        2.97211  140.862      3.02539  11.893   0.124952  11.8661  0.12748   
1 1 1 4  2  16 o 17.5491  0.120264  308.077      4.22107  308.407      5.97873  307.749      5.96029  17.5554  0.170282  17.5367  0.169938  
1 1 1 4  2  17 o 11.2126  0.0844565 125.739      1.89395  128.762      2.72763  122.926      2.63183  11.3457  0.120206  11.0856  0.118705  
1 1 1 4  2  18 o 3.87626  0.0841099 15.0271      0.652064 15.0925      0.924056 14.9622      0.920272 3.88446  0.118943  3.86766  0.11897   
1 1 1 4  2  19 o 20.1524  0.138046  406.235      5.56393  407.924      7.8931   404.566      7.84431  20.1913  0.195457  20.1081  0.195054  
1 1 1 4  2  20 o 9.20963  0.080574  84.8255      1.48411  85.8245      2.11588  83.858       2.08223  9.26322  0.114208  9.15649  0.113703  
1 1 1 4  2  21 o 3.80326  0.102387  14.4674      0.778812 15.5013      1.10973  13.4641      1.09327  3.93647  0.140955  3.66862  0.149003  
1 1 1 4  2  22 o 22.4602  0.153802  504.708      6.90885  511.855      9.89611  497.912      9.64972  22.613   0.218815  22.3031  0.216331  
1 1 1 4  2  23 o 5.52348  0.0992619 30.5155      1.09654  31.1889      1.56289  29.8627      1.53888  5.58348  0.139957  5.46347  0.140834  
1 1 1 4  2  24 o 9.51101  0.105703  90.4859      2.01068  90.8644      2.88815  90.1298      2.80092  9.52939  0.151539  9.49094  0.147558  
1 1 1 4  2  25 o 6.99154  0.11335   48.9013      1.58499  47.5476      2.2207   50.3069      2.26292  6.89267  0.161092  7.0899   0.159587  
1 1 1 4  2  26 o 4.54584  0.138379  20.6814      1.2581   21.3949      1.7968   19.9951      1.76215  4.62174  0.194386  4.46788  0.197202  
1 1 1 4  2  27 o 2.17544  0.259156  4.74968      1.12756  4.24037      1.583    5.27421      1.60648  2.01485  0.40708   2.28904  0.350907  
1 1 1 4  2  28 o 4.25791  0.131954  18.1509      1.1237   17.7725      1.58536  18.5328      1.59296  4.21071  0.188253  4.29999  0.185228  
1 1 1 4  2  29 o 4.90845  0.116648  24.122       1.14513  26.1572      1.6343   22.1591      1.605    5.1086   0.159956  4.70126  0.1707    
1 1 1 4  2  30 o 3.51998  0.150546  12.4218      1.05984  12.8693      1.50371  11.9801      1.49401  3.57848  0.210105  3.45212  0.216389  
1 1 1 4  2  31 o 8.76642  0.0982474 76.9544      1.72256  76.827       2.43161  77.0827      2.44054  8.7532   0.138898  8.76771  0.139178  
1 1 1 4  2  32 o 6.61461  0.102054  43.8313      1.3501   42.5064      1.88828  45.2171      1.9311   6.50786  0.145077  6.71237  0.143846  
1 1 1 4  2  33 o 3.02173  0.163092  9.1807       0.985638 9.38691      1.39762  8.97668      1.39021  3.0475   0.229307  2.97961  0.233288  
1 1 1 4  2  34 o 4.27764  0.124575  18.369       1.06577  17.5937      1.49803  19.1637      1.51661  4.17782  0.179283  4.36128  0.173872  
1 1 1 4  2  35 o 1.74907  0.322865  3.24733      1.08699  3.04376      1.55214  3.44327      1.52276  1.66514  0.453784  1.77245  0.432733  
1 1 1 4  2  36 f 1.96617  0.292969  3.98554      1.15206  3.19739      1.64922  4.73665      1.60999  1.69313  0.470444  2.08696  0.399994  
1 1 1 4  2  37 o 1.62259  0.345149  2.85267      1.08653  2.8156       1.54851  2.88861      1.52494  1.58971  0.460523  1.60904  0.454102  
1 1 1 4  2  38 o 1.99819  0.271517  4.14075      1.08509  3.75484      1.54783  4.51368      1.52159  1.82209  0.430962  2.02115  0.390348  
1 1 1 4  2  39 o 2.78712  0.192678  7.93718      1.07404  7.46503      1.50728  8.42419      1.53082  2.67048  0.282212  2.84255  0.269269  
1 1 1 4  2  40 o 0.910154 0.36551   0.55103      1.01563  1.37339      1.43896  -0.265306    1.43368  1.18593  0.446384  0.887812 0.395967  
1 1 1 4  2  41 o 1.9646   0.267447  4.0721       1.05086  4.21527      1.484    3.92809      1.48828  1.91072  0.401113  1.83463  0.415231  
1 1 1 4  2  42 o 0.664941 0.309595  -0.698935    1.00067  -1.53652     1.41328  0.143121     1.41705  0.719623 0.34479   0.924156 0.404164  
1 1 1 4  2  43 o 1.07836  0.377631  1.33497      1.00796  -0.0779362   1.42276  2.75871      1.42821  0.872233 0.391588  1.45973  0.447148  
1 1 1 4  2  44 o 0.68571  0.312323  -0.284958    0.948423 -0.0950752   1.33457  -0.478702    1.34807  0.827488 0.374959  0.78202  0.362265  
1 1 1 4  2  45 o 1.14853  0.39056   1.7652       1.07323  -0.397339    1.4809   4.15741      1.55755  0.801927 0.374631  1.70013  0.450683  
1 1 1 4  2  46 o 0.998581 0.406356  1.44478      1.27751  1.71768      1.78369  1.15735      1.83057  1.04287  0.454785  0.971754 0.439798  
1 1 1 4  2  47 o 0.903113 0.422073  1.33765      1.88212  0.681707     2.73666  1.92636      2.59262  0.882743 0.434754  0.950973 0.458373  
1 1 1 4  3  0  o 26.5976  0.325975  708.167      17.3345  708.167      17.3345  708.167      17.3345  26.6044  0.230402  ?        ?         
1 1 1 4  3  1  o 27.4707  0.201588  754.988      11.0755  764.707      16.0556  746.165      15.2982  27.6395  0.290446  27.3033  0.280152  
1 1 1 4  3  2  o 17.5097  0.132455  306.658      4.63849  302.054      6.22242  312.417      6.95882  17.3761  0.179051  17.6709  0.1969    
1 1 1 4  3  3  o 14.0054  0.0954261 196.176      2.67296  195.58       3.68869  196.835      3.87875  13.9833  0.131896  14.0279  0.138252  
1 1 1 4  3  4  o 14.0883  0.0959767 198.509      2.7043   197.133      3.88437  199.804      3.76724  14.0383  0.138349  14.1332  0.133276  
1 1 1 4  3  5  o 28.1502  0.186091  792.903      10.477   787.476      14.7199  798.476      14.9154  28.0451  0.262433  28.2401  0.264082  
1 1 1 4  3  6  o 19.7597  0.13131   390.571      5.1893   386.713      7.27167  394.574      7.40778  19.6586  0.184949  19.8573  0.186525  
1 1 1 4  3  7  o 22.0703  0.149658  487.321      6.60599  489.141      9.17651  485.362      9.51736  22.1067  0.20755   22.0204  0.216103  
1 1 1 4  3  8  o 32.9616  0.23032   1087.72      15.1835  1083.89      21.1576  1091.78      21.8022  32.8851  0.32169   33.0026  0.33031   
1 1 1 4  3  9  o 4.82864  0.0498156 23.3171      0.481084 22.5229      0.685697 24.0871      0.675135 4.74554  0.0722465 4.90759  0.0687849 
1 1 1 4  3  10 o 11.0781  0.0793952 122.742      1.75909  122.474      2.53917  122.99       2.43929  11.065   0.114739  11.0884  0.109993  
1 1 1 4  3  11 o 6.39111  0.0637345 40.8505      0.814668 41.1421      1.14368  40.5501      1.16073  6.41356  0.0891615 6.36722  0.0911492 
1 1 1 4  3  12 o 17.9187  0.134081  321.235      4.80512  322.064      6.72616  320.371      6.86696  17.9377  0.187486  17.8901  0.191921  
1 1 1 4  3  13 o 13.9183  0.11808   193.794      3.28696  194.132      4.65334  193.457      4.6436   13.9277  0.167053  13.9035  0.166994  
1 1 1 4  3  14 o 10.7836  0.0871827 116.309      1.88028  113.652      2.60728  119.188      2.71418  10.6586  0.122309  10.9151  0.124332  
1 1 1 4  3  15 o 5.55512  0.0678789 30.8629      0.754151 31.4033      1.06943  30.3284      1.06366  5.60322  0.0954298 5.50648  0.0965822 
1 1 1 4  3  16 o 4.66034  0.0694416 21.7212      0.647243 21.8379      0.91971  21.6068      0.911032 4.67256  0.098416  4.64777  0.0980073 
1 1 1 4  3  17 o 8.1198   0.0715919 65.9376      1.16262  66.0645      1.64616  65.8114      1.64224  8.12719  0.101275  8.1116   0.101228  
1 1 1 4  3  18 f 8.01042  0.0735167 64.1723      1.1778   63.6379      1.6563   64.719       1.67518  7.97665  0.103822  8.04411  0.104125  
1 1 1 4  3  19 o 20.1704  0.137944  406.957      5.56474  408.423      7.89361  405.51       7.84606  20.2037  0.195351  20.1315  0.19487   
1 1 1 4  3  20 o 12.7991  0.0961841 163.839      2.46214  166.943      3.53328  160.909      3.43287  12.9188  0.136749  12.6832  0.135331  
1 1 1 4  3  21 o 14.8809  0.108024  221.487      3.215    221.769      4.55345  221.206      4.53997  14.8888  0.152915  14.8699  0.152657  
1 1 1 4  3  22 o 4.11419  0.106982  16.9306      0.880286 18.0975      1.25773  15.8101      1.23248  4.25315  0.147859  3.9752   0.155021  
1 1 1 4  3  23 f 12.9508  0.107478  167.767      2.78386  171.583      3.95255  164.011      3.92159  13.0956  0.150911  12.8033  0.153148  
1 1 1 4  3  24 o 5.18797  0.117727  26.925       1.22153  27.6626      1.7334   26.1973      1.72166  5.25762  0.164847  5.11639  0.168249  
1 1 1 4  3  25 o 10.4888  0.116426  110.062      2.44233  110.033      3.30677  110.096      3.62278  10.4855  0.157683  10.4877  0.172716  
1 1 1 4  3  26 o 3.74849  0.154679  14.0656      1.15962  14.1104      1.59137  14.0149      1.69328  3.75271  0.21203   3.73948  0.226406  
1 1 1 4  3  27 o 3.48296  0.165067  12.149       1.14984  11.3442      1.61312  12.9802      1.63944  3.36289  0.239841  3.59776  0.227842  
1 1 1 4  3  28 o 3.49926  0.152013  12.2639      1.06387  11.1346      1.4955   13.421       1.51374  3.33111  0.224474  3.65812  0.206901  
1 1 1 4  3  29 o 3.72504  0.140329  13.9006      1.04546  12.9559      1.46826  14.8722      1.48898  3.59265  0.204342  3.84995  0.193376  
1 1 1 4  3  30 o 3.87559  0.138182  15.0527      1.07107  15.5066      1.51044  14.5936      1.51904  3.92959  0.192188  3.81156  0.199268  
1 1 1 4  3  31 o 5.15429  0.112675  26.6144      1.16151  25.9537      1.6341   27.2892      1.65129  5.08515  0.160674  5.21462  0.158333  
1 1 1 4  3  32 o 5.37962  0.110383  29.0014      1.18764  29.9101      1.68795  28.1106      1.67132  5.45763  0.154641  5.29043  0.157957  
1 1 1 4  3  33 o 1.99197  0.237281  4.01405      0.945316 4.03276      1.33644  3.99532      1.33731  1.95453  0.354975  1.94476  0.357172  
1 1 1 4  3  34 o 2.48173  0.193731  6.21722      0.961576 5.77051      1.35979  6.66404      1.35996  2.37791  0.285921  2.5589   0.265731  
1 1 1 4  3  35 o 0.915427 0.372588  0.391542     1.07421  0.802728     1.51867  -0.020185    1.51967  1.12659  0.449064  0.981955 0.423886  
1 1 1 4  3  36 o 0.85089  0.365444  0.0144069    1.1189   -0.1482      1.56537  0.184269     1.59991  0.971407 0.42481   1.03217  0.43993   
1 1 1 4  3  37 o 5.11036  0.129746  26.2907      1.3261   27.3323      1.8962   25.2937      1.85526  5.19357  0.182553  4.99499  0.185712  
1 1 1 4  3  38 o 2.65242  0.210949  7.19308      1.11905  7.3924       1.56123  6.98247      1.60484  2.66198  0.293245  2.58048  0.310956  
1 1 1 4  3  39 o 1.81248  0.286611  3.4439       1.03895  1.92419      1.45983  5.00371      1.47896  1.33018  0.455504  2.16369  0.341769  
1 1 1 4  3  40 o 0.764377 0.337516  -0.152392    1.0111   -0.153465    1.43718  -0.15134     1.42276  0.904816 0.400591  0.900893 0.398751  
1 1 1 4  3  41 o 0.560833 0.273616  -1.68335     1.00335  -0.784207    1.42675  -2.5631      1.41129  0.812848 0.375066  0.642742 0.316413  
1 1 1 4  3  42 o 0.727948 0.327777  -0.279891    1.004    -0.60574     1.41945  0.0463421    1.42028  0.820414 0.376758  0.909528 0.40102   
1 1 1 4  3  43 o 1.23592  0.372954  1.84505      0.998557 1.52502      1.40132  2.17519      1.42328  1.15408  0.438775  1.30819  0.449628  
1 1 1 4  3  44 o 0.907898 0.357989  0.807622     0.955544 2.05727      1.35355  -0.433896    1.34914  1.24268  0.437369  0.786923 0.363721  
1 1 1 4  3  45 o 0.693213 0.322397  -0.434936    1.08129  0.0163972    1.53195  -0.883009    1.52641  0.860028 0.393463  0.762832 0.363765  
1 1 1 4  3  46 o 1.31971  0.419466  2.73983      1.24282  3.00333      1.73787  2.46401      1.77803  1.25699  0.485762  1.15488  0.476234  
1 1 1 4  3  47 o 0.761564 0.369973  -0.259568    1.7814   -1.05772     2.54292  0.50959      2.4963   0.790397 0.394327  0.863299 0.423644  
1 1 1 4  3  48 o 0.889304 0.451986  2.89264      4.15951  11.5808      6.10679  -4.62654     5.68111  ?        ?         ?        ?         
1 1 1 4  4  0  f 17.4153  0.283525  303.685      9.86949  303.685      9.86949  303.685      9.86949  17.4209  0.200359  ?        ?         
1 1 1 4  4  1  o 26.0498  0.266867  679.109      13.9004  679.109      13.9004  679.109      13.9004  26.0547  0.188646  ?        ?         
1 1 1 4  4  2  o 17.8003  0.193268  317.041      6.87862  317.041      6.87862  317.041      6.87862  17.8029  0.136623  ?        ?         
1 1 1 4  4  3  o 39.5534  0.385991  1566.63      30.5279  1566.63      30.5279  1566.63      30.5279  39.5667  0.272815  ?        ?         
1 1 1 4  4  4  o 1.66654  0.0712124 2.79266      0.236371 2.79266      0.236371 2.79266      0.236371 1.66885  0.050179  ?        ?         
1 1 1 4  4  5  o 23.7825  0.227585  566.019      10.8228  566.019      10.8228  566.019      10.8228  23.7867  0.160881  ?        ?         
1 1 1 4  4  6  o 1.67284  0.082095  2.81873      0.273154 2.81873      0.273154 2.81873      0.273154 1.6759   0.0577814 ?        ?         
1 1 1 4  4  7  o 4.95377  0.0620059 24.5524      0.61411  24.5524      0.61411  24.5524      0.61411  4.9544   0.0438315 ?        ?         
1 1 1 4  4  8  o 23.1577  0.217669  536.7        10.0794  536.7        10.0794  536.7        10.0794  23.1622  0.15387   ?        ?         
1 1 1 4  4  9  o 7.70461  0.0882348 59.3897      1.35923  59.3897      1.35923  59.3897      1.35923  7.70554  0.0623747 ?        ?         
1 1 1 4  4  10 o 25.936   0.260575  673.438      13.5134  673.438      13.5134  673.438      13.5134  25.9433  0.184181  ?        ?         
1 1 1 4  4  11 o 16.0803  0.182959  258.788      5.88238  258.788      5.88238  258.788      5.88238  16.0836  0.129327  ?        ?         
1 1 1 4  4  12 o 0.743802 0.34242   0.809173     0.555189 0.809173     0.555189 0.809173     0.555189 0.784917 0.276194  ?        ?         
1 1 1 4  4  13 o 7.72097  0.110215  59.6599      1.70116  59.6599      1.70116  59.6599      1.70116  7.72247  0.0779009 ?        ?         
1 1 1 4  4  14 f 2.63919  0.135386  7.02184      0.710327 7.02184      0.710327 7.02184      0.710327 2.64458  0.0952436 ?        ?         
1 1 1 4  4  15 o 13.2722  0.13895   176.252      3.68744  176.252      3.68744  176.252      3.68744  13.2741  0.0982265 ?        ?         
1 1 1 4  4  16 o 4.50114  0.0991528 20.2921      0.891624 20.2921      0.891624 20.2921      0.891624 4.50291  0.0700455 ?        ?         
1 1 1 4  4  17 o 34.3739  0.330469  1183.11      22.7143  1183.11      22.7143  1183.11      22.7143  34.385   0.233578  ?        ?         
1 1 1 4  4  18 o 26.2391  0.254377  689.027      13.3464  689.027      13.3464  689.027      13.3464  26.2441  0.179818  ?        ?         
1 1 1 4  4  19 o 8.79256  0.114326  77.3558      2.00968  77.3558      2.00968  77.3558      2.00968  8.79389  0.0808133 ?        ?         
1 1 1 4  4  20 o 29.6593  0.280883  880.43       16.6582  880.43       16.6582  880.43       16.6582  29.6655  0.198552  ?        ?         
1 1 1 4  4  21 o 4.73948  0.126653  22.514       1.1986   22.514       1.1986   22.514       1.1986   4.74219  0.0894329 ?        ?         
1 1 1 4  4  22 o 4.57495  0.140658  20.9937      1.28425  20.9937      1.28425  20.9937      1.28425  4.57843  0.0992774 ?        ?         
1 1 1 4  4  23 o 0.758389 0.469517  0.463589     1.37561  0.463589     1.37561  0.463589     1.37561  0.671103 0.405258  ?        ?         
1 1 1 4  4  24 o 7.89365  0.147151  62.3928      2.3213   62.3928      2.3213   62.3928      2.3213   7.89628  0.103976  ?        ?         
1 1 1 4  4  25 o 16.9684  0.22266   288.304      7.55343  288.304      7.55343  288.304      7.55343  16.974   0.157362  ?        ?         
1 1 1 4  4  26 o 8.64903  0.143734  74.9016      2.48477  74.9016      2.48477  74.9016      2.48477  8.65179  0.101571  ?        ?         
1 1 1 4  4  27 o 8.32961  0.145613  69.4865      2.42412  69.4865      2.42412  69.4865      2.42412  8.33274  0.102889  ?        ?         
1 1 1 4  4  28 o 5.28132  0.157514  27.9904      1.66041  27.9904      1.66041  27.9904      1.66041  5.28596  0.111168  ?        ?         
1 1 1 4  4  29 o 1.75618  0.444644  3.63884      1.34856  3.63884      1.34856  3.63884      1.34856  1.846    0.277035  ?        ?         
1 1 1 4  4  30 o 3.55728  0.205835  12.8111      1.45321  12.8111      1.45321  12.8111      1.45321  3.56839  0.144521  ?        ?         
1 1 1 4  4  31 o 0.75656  0.465446  0.523579     1.33539  0.523579     1.33539  0.523579     1.33539  0.677065 0.403879  ?        ?         
1 1 1 4  4  32 o 0.731421 0.455827  0.426175     1.31408  0.426175     1.31408  0.426175     1.31408  0.647326 0.39334   ?        ?         
1 1 1 4  4  33 o 0.915265 0.504494  1.21935      1.31863  1.21935      1.31863  1.21935      1.31863  0.89992  0.440813  ?        ?         
1 1 1 4  4  34 f 3.01061  0.234354  9.28921      1.39143  9.28921      1.39143  9.28921      1.39143  3.02961  0.163466  ?        ?         
1 1 1 4  4  35 o 0.888976 0.514821  1.07918      1.46221  1.07918      1.46221  1.07918      1.46221  0.847431 0.452699  ?        ?         
1 1 1 4  4  36 o 2.64839  0.317008  7.42961      1.62464  7.42961      1.62464  7.42961      1.62464  2.68881  0.216871  ?        ?         
1 1 1 4  4  37 o 1.33396  0.566218  2.64119      1.52286  2.64119      1.52286  2.64119      1.52286  1.45018  0.42766   ?        ?         
1 1 1 4  4  38 o 1.56027  0.549348  3.34831      1.5525   3.34831      1.5525   3.34831      1.5525   1.7025   0.367872  ?        ?         
1 1 1 4  4  39 o 3.43754  0.23022   12.1563      1.56649  12.1563      1.56649  12.1563      1.56649  3.4624   0.160747  ?        ?         
1 1 1 4  4  40 o 1.41291  0.547858  2.91982      1.46594  2.91982      1.46594  2.91982      1.46594  1.55672  0.385031  ?        ?         
1 1 1 4  4  41 o 0.544754 0.380414  -1.0254      1.441    -1.0254      1.441    -1.0254      1.441    0.430528 0.30558   ?        ?         
1 1 1 4  4  42 o 0.463606 0.334793  -1.87947     1.4048   -1.87947     1.4048   -1.87947     1.4048   0.353998 0.259586  ?        ?         
1 1 1 4  4  43 o 0.627772 0.419682  -0.0804089   1.3973   -0.0804089   1.3973   -0.0804089   1.3973   0.534208 0.356067  ?        ?         
1 1 1 4  4  44 o 0.82972  0.489707  1.16975      1.36394  1.16975      1.36394  1.16975      1.36394  0.824791 0.438153  ?        ?         
1 1 1 4  4  45 o 0.883344 0.521021  1.49166      1.54228  1.49166      1.54228  1.49166      1.54228  0.905621 0.470078  ?        ?         
1 1 1 4  4  46 o 0.525259 0.378516  -1.47211     1.7472   -1.47211     1.7472   -1.47211     1.7472   0.426363 0.308674  ?        ?         
1 1 1 4  4  47 o 0.658188 0.470911  -0.267069    2.5603   -0.267069    2.5603   -0.267069    2.5603   0.594037 0.418114  ?        ?         
1 1 1 4  4  48 o 0.763033 0.563384  2.18646      5.19371  2.18646      5.19371  2.18646      5.19371  0.76959  0.553605  ?        ?         
1 1 1 5  0  0  o 15.8604  0.297309  251.94       9.42343  251.94       9.42343  251.94       9.42343  15.8665  0.210066  ?        ?         
1 1 1 5  0  1  o 8.47798  0.0929473 71.9055      1.57558  71.9055      1.57558  71.9055      1.57558  8.47884  0.0657081 ?        ?         
1 1 1 5  0  2  o 34.8348  0.347839  1214.64      24.2283  1214.64      24.2283  1214.64      24.2283  34.8431  0.245873  ?        ?         
1 1 1 5  0  3  o 2.16029  0.0492134 4.6742       0.212382 4.6742       0.212382 4.6742       0.212382 2.16114  0.034765  ?        ?         
1 1 1 5  0  4  o 17.2123  0.172814  296.418      5.94772  296.418      5.94772  296.418      5.94772  17.2145  0.122169  ?        ?         
1 1 1 5  0  5  o 11.8448  0.123908  140.362      2.9346   140.362      2.9346   140.362      2.9346   11.8461  0.0875956 ?        ?         
1 1 1 5  0  6  o 17.9347  0.172631  321.831      6.19089  321.831      6.19089  321.831      6.19089  17.9372  0.122039  ?        ?         
1 1 1 5  0  7  o 20.3305  0.191198  413.588      7.77276  413.588      7.77276  413.588      7.77276  20.3336  0.135163  ?        ?         
1 1 1 5  0  8  o 8.72785  0.088255  76.205       1.5402   76.205       1.5402   76.205       1.5402   8.72869  0.0623925 ?        ?         
1 1 1 5  0  9  o 23.9726  0.225384  575.17       10.8039  575.17       10.8039  575.17       10.8039  23.9776  0.159321  ?        ?         
1 1 1 5  0  10 o 6.00225  0.073069  36.0454      0.876865 36.0454      0.876865 36.0454      0.876865 6.00302  0.0516524 ?        ?         
1 1 1 5  0  11 o 0.739078 0.320833  0.782318     0.486703 0.782318     0.486703 0.782318     0.486703 0.788448 0.249038  ?        ?         
1 1 1 5  0  12 o 2.10719  0.140647  4.50048      0.586681 4.50048      0.586681 4.50048      0.586681 2.11443  0.0985871 ?        ?         
1 1 1 5  0  13 f 16.5399  0.195382  273.826      6.46115  273.826      6.46115  273.826      6.46115  16.5438  0.138101  ?        ?         
1 1 1 5  0  14 o 7.79058  0.104664  60.7349      1.63013  60.7349      1.63013  60.7349      1.63013  7.79192  0.0739811 ?        ?         
1 1 1 5  0  15 o 0.473976 0.304585  0.0552192    0.636486 0.0552192    0.636486 0.0552192    0.636486 0.403504 0.257941  ?        ?         
1 1 1 5  0  16 o 17.7774  0.171964  316.235      6.11285  316.235      6.11285  316.235      6.11285  17.7802  0.121565  ?        ?         
1 1 1 5  0  17 o 10.3076  0.113335  106.298      2.33577  106.298      2.33577  106.298      2.33577  10.3088  0.0801191 ?        ?         
1 1 1 5  0  18 o 8.14775  0.108814  66.4277      1.77247  66.4277      1.77247  66.4277      1.77247  8.14903  0.0769157 ?        ?         
1 1 1 5  0  19 o 5.36822  0.109903  28.8566      1.17885  28.8566      1.17885  28.8566      1.17885  5.37003  0.0776502 ?        ?         
1 1 1 5  0  20 f 10.4765  0.120619  109.812      2.52657  109.812      2.52657  109.812      2.52657  10.4778  0.085267  ?        ?         
1 1 1 5  0  21 o 12.5007  0.135375  156.347      3.38365  156.347      3.38365  156.347      3.38365  12.5023  0.0956994 ?        ?         
1 1 1 5  0  22 o 8.34227  0.118809  69.6459      1.98137  69.6459      1.98137  69.6459      1.98137  8.34384  0.0839757 ?        ?         
1 1 1 5  0  23 o 2.57218  0.257311  6.81729      1.29332  6.81729      1.29332  6.81729      1.29332  2.5923   0.178328  ?        ?         
1 1 1 5  0  24 o 7.33337  0.150785  53.8624      2.20941  53.8624      2.20941  53.8624      2.20941  7.33623  0.106528  ?        ?         
1 1 1 5  0  25 o 5.4778   0.181674  30.1205      1.98539  30.1205      1.98539  30.1205      1.98539  5.48302  0.128179  ?        ?         
1 1 1 5  0  26 o 10.2274  0.152163  104.72       3.11092  104.72       3.11092  104.72       3.11092  10.2303  0.107538  ?        ?         
1 1 1 5  0  27 o 0.60973  0.420835  -1.01058     1.61776  -1.01058     1.61776  -1.01058     1.61776  0.480306 0.336412  ?        ?         
1 1 1 5  0  28 o 7.02252  0.141727  49.4088      1.98873  49.4088      1.98873  49.4088      1.98873  7.02582  0.100123  ?        ?         
1 1 1 5  0  29 o 0.509524 0.359672  -1.354       1.36033  -1.354       1.36033  -1.354       1.36033  0.390871 0.281564  ?        ?         
1 1 1 5  0  30 o 11.8496  0.150781  140.66       3.57207  140.66       3.57207  140.66       3.57207  11.8548  0.106552  ?        ?         
1 1 1 5  0  31 o 5.13052  0.165296  26.4543      1.69212  26.4543      1.69212  26.4543      1.69212  5.13696  0.116596  ?        ?         
1 1 1 5  0  32 o 0.624949 0.41605   -0.25442     1.33926  -0.25442     1.33926  -0.25442     1.33926  0.514549 0.34437   ?        ?         
1 1 1 5  0  33 o 4.0568   0.18196   16.612       1.46959  16.612       1.46959  16.612       1.46959  4.06637  0.128062  ?        ?         
1 1 1 5  0  34 o 0.775606 0.469833  0.653941     1.31661  0.653941     1.31661  0.653941     1.31661  0.707123 0.410217  ?        ?         
1 1 1 5  0  35 o 0.641337 0.431832  -0.462533    1.53248  -0.462533    1.53248  -0.462533    1.53248  0.523136 0.355959  ?        ?         
1 1 1 5  0  36 o 0.677461 0.449138  -0.164502    1.53387  -0.164502    1.53387  -0.164502    1.53387  0.565359 0.375889  ?        ?         
1 1 1 5  0  37 o 2.25457  0.381338  5.62047      1.57178  5.62047      1.57178  5.62047      1.57178  2.31943  0.245911  ?        ?         
1 1 1 5  0  38 o 0.79708  0.493598  0.649786     1.52109  0.649786     1.52109  0.649786     1.52109  0.722421 0.430996  ?        ?         
1 1 1 5  0  39 o 1.40289  0.542689  2.84101      1.43972  2.84101      1.43972  2.84101      1.43972  1.53894  0.382643  ?        ?         
1 1 1 5  0  40 o 1.70043  0.495936  3.72317      1.46273  3.72317      1.46273  3.72317      1.46273  1.83285  0.308412  ?        ?         
1 1 1 5  0  41 o 2.21214  0.386104  5.55087      1.5524   5.55087      1.5524   5.55087      1.5524   2.29253  0.245875  ?        ?         
1 1 1 5  0  42 o 0.525241 0.369736  -1.13071     1.41652  -1.13071     1.41652  -1.13071     1.41652  0.414029 0.295848  ?        ?         
1 1 1 5  0  43 f 0.636243 0.424845  -0.0568845   1.42192  -0.0568845   1.42192  -0.0568845   1.42192  0.542699 0.361093  ?        ?         
1 1 1 5  0  44 o 1.34477  0.533305  2.86233      1.37715  2.86233      1.37715  2.86233      1.37715  1.51908  0.370301  ?        ?         
1 1 1 5  0  45 o 0.85732  0.50189   1.37014      1.41403  1.37014      1.41403  1.37014      1.41403  0.876747 0.451206  ?        ?         
1 1 1 5  0  46 o 0.627989 0.43752   -0.372592    1.88376  -0.372592    1.88376  -0.372592    1.88376  0.541408 0.376009  ?        ?         
1 1 1 5  0  47 o 0.604983 0.439526  -1.5659      2.65579  -1.5659      2.65579  -1.5659      2.65579  0.519981 0.376505  ?        ?         
1 1 1 5  1  0  o 20.0311  0.229721  401.519      9.20039  401.519      9.20039  401.519      9.20039  20.0345  0.162386  ?        ?         
1 1 1 5  1  1  o 27.0662  0.203576  732.911      11.0201  712.57       15.3701  754.43       15.8086  26.6815  0.288029  27.454   0.287911  
1 1 1 5  1  2  o 13.5749  0.0954169 184.299      2.59056  188.61       3.7871   180.507      3.55145  13.7319  0.137894  13.4339  0.132183  
1 1 1 5  1  3  o 15.9404  0.108295  254.137      3.45255  253.042      4.75828  255.354      5.0173   15.9048  0.149586  15.9771  0.157015  
1 1 1 5  1  4  o 13.2381  0.0924023 175.271      2.44647  173.548      3.2829   177.422      3.66883  13.1722  0.124615  13.318   0.137739  
1 1 1 5  1  5  o 16.4888  0.110951  271.938      3.65891  270.293      5.20048  273.551      5.14886  16.437   0.158194  16.5359  0.155687  
1 1 1 5  1  6  o 10.3171  0.0748717 106.454      1.54492  103.256      2.26044  109.258      2.11637  10.1603  0.111239  10.4516  0.101246  
1 1 1 5  1  7  o 16.7545  0.117042  280.791      3.92197  280.05       5.53491  281.54       5.55817  16.73    0.165419  16.7745  0.165674  
1 1 1 5  1  8  o 20.0038  0.133259  400.306      5.33137  399.163      7.51758  401.462      7.562    19.9714  0.188209  20.0287  0.188779  
1 1 1 5  1  9  o 22.0612  0.146836  486.936      6.47874  482.922      9.08988  491.08       9.23652  21.9646  0.206921  22.1492  0.208507  
1 1 1 5  1  10 o 5.1685   0.0497404 26.7149      0.514166 26.6465      0.726155 26.7837      0.728131 5.16172  0.0703404 5.17499  0.0703509 
1 1 1 5  1  11 o 11.8025  0.0977835 139.332      2.30817  138.757      3.25279  139.915      3.27584  11.7767  0.138103  11.8257  0.138505  
1 1 1 5  1  12 o 11.9643  0.0921001 143.176      2.20382  142.673      3.10608  143.685      3.12737  11.9419  0.13005   11.9842  0.13048   
1 1 1 5  1  13 o 25.9587  0.222835  674.776      11.569   680.909      16.7896  669.232      15.9637  26.0569  0.322171  25.8355  0.30895   
1 1 1 5  1  14 o 8.85671  0.0786984 78.4545      1.39402  78.0689      2.01607  78.8076      1.92964  8.83411  0.114107  8.87595  0.108701  
1 1 1 5  1  15 o 8.7907   0.0743069 77.2871      1.30642  76.6378      1.83581  77.9533      1.85953  8.75309  0.104867  8.82788  0.105321  
1 1 1 5  1  16 o 6.6109   0.0697726 43.709       0.922519 42.3695      1.2978   45.0771      1.31158  6.50841  0.0997019 6.71318  0.0976873 
1 1 1 5  1  17 o 12.2061  0.0896728 149.012      2.18911  148.852      3.09651  149.172      3.09522  12.1985  0.126922  12.2116  0.126732  
1 1 1 5  1  18 o 17.3201  0.119973  300.055      4.15588  295.762      5.80125  304.58       5.95643  17.1938  0.168702  17.4481  0.17069   
1 1 1 5  1  19 o 12.6757  0.0943727 160.694      2.39247  161.346      3.39314  160.049      3.37387  12.7005  0.133583  12.6494  0.133361  
1 1 1 5  1  20 o 4.99831  0.083108  24.9857      0.830799 25.9514      1.18291  24.0456      1.1671   5.09372  0.116115  4.9031   0.119017  
1 1 1 5  1  21 o 5.81025  0.0823129 33.763       0.956516 34.1192      1.35893  33.4132      1.34659  5.84046  0.116337  5.77971  0.116493  
1 1 1 5  1  22 o 9.90039  0.0873194 98.0331      1.72899  99.3175      2.46915  96.7975      2.42186  9.96423  0.123901  9.83703  0.123099  
1 1 1 5  1  23 o 3.31579  0.148328  10.9998      0.983649 11.4809      1.3661   10.482       1.4175   3.38679  0.201681  3.23584  0.219031  
1 1 1 5  1  24 o 5.47723  0.116684  30.0108      1.27821  29.2136      1.77733  30.8649      1.8396   5.40302  0.164476  5.5536   0.165622  
1 1 1 5  1  25 o 9.02918  0.113089  81.5588      2.04221  77.3865      2.78681  86.3982      3.00135  8.79348  0.158459  9.29125  0.161515  
1 1 1 5  1  26 o 9.47713  0.106752  89.8594      2.02341  92.5842      2.94602  87.4261      2.78393  9.61722  0.153164  9.34574  0.148941  
1 1 1 5  1  27 o 9.22905  0.105743  85.2268      1.95181  87.812       2.79592  82.7694      2.72596  9.3652   0.149272  9.09229  0.149905  
1 1 1 5  1  28 o 9.03835  0.096369  81.7426      1.74203  80.7936      2.45043  82.7124      2.477    8.98285  0.136395  9.08891  0.136265  
1 1 1 5  1  29 o 1.1752   0.370864  1.38154      0.972789 1.89227      1.3775   0.87342      1.37397  1.37824  0.44197   1.12685  0.432703  
1 1 1 5  1  30 o 2.68649  0.189426  7.24647      1.01778  6.52536      1.44042  7.96545      1.43831  2.54296  0.283218  2.81192  0.255751  
1 1 1 5  1  31 o 10.7005  0.101201  114.666      2.16581  113.939      3.05058  115.405      3.07541  10.6588  0.143102  10.7271  0.143348  
1 1 1 5  1  32 o 1.76847  0.270873  3.16702      0.958061 3.92927      1.35668  2.40874      1.35314  1.93028  0.364721  1.50765  0.428489  
1 1 1 5  1  33 o 6.56986  0.100725  43.2531      1.3235   42.3915      1.86005  44.1367      1.8836   6.49728  0.14314   6.62988  0.142054  
1 1 1 5  1  34 o 5.88333  0.104847  34.7087      1.2337   34.8818      1.75318  34.539       1.73636  5.88983  0.148831  5.86097  0.148129  
1 1 1 5  1  35 o 3.26136  0.179149  10.7397      1.16854  12.1064      1.63373  9.3082       1.67205  3.45034  0.23675   3.01613  0.277185  
1 1 1 5  1  36 o 0.869099 0.364067  0.205603     1.06436  1.39453      1.53329  -0.900135    1.47867  1.24571  0.462377  0.842171 0.385821  
1 1 1 5  1  37 o 3.33946  0.174772  11.2874      1.16729  11.6718      1.6173   10.8694      1.68647  3.37803  0.239386  3.25359  0.25917   
1 1 1 5  1  38 o 5.41495  0.127448  29.5613      1.38025  30.3219      1.97676  28.8377      1.92808  5.46187  0.18096   5.3265   0.18099   
1 1 1 5  1  39 o 2.18565  0.238321  4.93639      1.04177  3.57682      1.46266  6.33621      1.48415  1.77062  0.419034  2.45203  0.302638  
1 1 1 5  1  40 o 1.15115  0.381211  1.43581      1.02246  1.3601       1.44563  1.51158      1.44633  1.18367  0.446933  1.21777  0.44966   
1 1 1 5  1  41 o 1.24085  0.386988  1.74393      1.06331  2.47822      1.51307  1.02748      1.49459  1.44575  0.463168  1.11356  0.444974  
1 1 1 5  1  42 o 0.694684 0.318287  -0.505638    1.00661  -1.38149     1.41438  0.393331     1.43293  0.734148 0.350104  0.967551 0.414486  
1 1 1 5  1  43 o 1.78459  0.285707  3.50573      1.01974  2.39274      1.43995  4.62546      1.44431  1.36264  0.452393  1.9623   0.381634  
1 1 1 5  1  44 o 0.740445 0.327168  0.0318558    0.952207 -0.258394    1.34288  0.325366     1.3504   0.807995 0.369126  0.892914 0.392491  
1 1 1 5  1  45 o 0.592519 0.286075  -1.12581     1.02027  -1.53537     1.46558  -0.740676    1.42119  0.691671 0.33588   0.751667 0.355114  
1 1 1 5  1  46 o 0.781268 0.361874  0.0278229    1.34466  0.232013     2.0367   -0.12995     1.7903   0.895156 0.423944  0.835449 0.39652   
1 1 1 5  1  47 o 0.678212 0.337543  -1.69225     1.80884  0.522499     2.66685  -3.57924     2.46162  0.871755 0.429345  0.689983 0.350048  
1 1 1 5  2  0  f 43.21    0.466865  1870.06      40.3359  1870.06      40.3359  1870.06      40.3359  43.2266  0.329953  ?        ?         
1 1 1 5  2  1  o 22.7706  0.173926  518.681      7.92078  512.473      10.5058  526.858      12.0571  22.6305  0.232115  22.9438  0.262753  
1 1 1 5  2  2  o 14.8293  0.105454  219.94       3.12763  220.037      4.42458  219.844      4.4217   14.8315  0.149161  14.825   0.14913   
1 1 1 5  2  3  o 33.4877  0.221137  1122.19      14.8107  1109.43      20.7223  1135.52      21.1762  33.2849  0.311286  33.6734  0.314435  
1 1 1 5  2  4  o 8.94572  0.0625418 80.0308      1.11896  81.3554      1.57245  78.672       1.59265  9.01918  0.0871724 8.86915  0.089786  
1 1 1 5  2  5  f 8.44499  0.0600985 71.3224      1.01506  72.6322      1.45747  70.0886      1.41452  8.5219   0.0855134 8.37137  0.0844856 
1 1 1 5  2  6  o 17.8459  0.124156  318.569      4.43134  316.557      6.22828  320.631      6.30618  17.7868  0.175081  17.9009  0.176142  
1 1 1 5  2  7  o 18.2429  0.123008  332.906      4.48805  334.307      6.30487  331.466      6.39009  18.2785  0.172467  18.2004  0.175548  
1 1 1 5  2  8  o 11.2072  0.0816543 125.619      1.83023  126.487      2.69818  124.88       2.49091  11.2449  0.119974  11.1734  0.111466  
1 1 1 5  2  9  o 16.7924  0.115343  282.073      3.87377  278.641      5.41788  285.663      5.54086  16.6874  0.162334  16.8963  0.163967  
1 1 1 5  2  10 o 20.3075  0.135721  412.58       5.5123   411.881      7.78442  413.283      7.80678  20.2857  0.19187   20.3202  0.192094  
1 1 1 5  2  11 f 19.5882  0.155894  383.937      6.10736  382.725      8.6129   385.162      8.66153  19.5512  0.220266  19.6133  0.220808  
1 1 1 5  2  12 o 11.6553  0.091609  135.876      2.13546  136.486      3.06738  135.303      2.97475  11.68    0.131309  11.6294  0.127897  
1 1 1 5  2  13 o 18.9357  0.159116  358.811      6.02593  357.051      8.35454  360.719      8.69984  18.883   0.221219  18.9788  0.229199  
1 1 1 5  2  14 o 5.51157  0.0667872 30.3811      0.736205 29.6266      1.00481  31.2555      1.08175  5.44241  0.0923126 5.58996  0.0967583 
1 1 1 5  2  15 o 11.0606  0.0885043 122.36       1.95781  122.696      2.74164  122.01       2.79672  11.0747  0.12378   11.0436  0.126622  
1 1 1 5  2  16 o 5.63626  0.0675265 31.7709      0.761194 30.9646      1.05466  32.6475      1.09973  5.56399  0.0947756 5.71317  0.0962456 
1 1 1 5  2  17 o 8.45791  0.0726771 71.5436      1.22939  69.7794      1.71108  73.4261      1.76754  8.35255  0.102429  8.56801  0.103148  
1 1 1 5  2  18 o 8.99323  0.0763672 80.8856      1.37358  79.8778      1.92611  81.9286      1.95938  8.93661  0.107765  9.05059  0.108246  
1 1 1 5  2  19 o 12.3916  0.0931377 153.572      2.30825  152.986      3.25706  154.163      3.27172  12.3671  0.131682  12.4146  0.131769  
1 1 1 5  2  20 o 19.0396  0.131556  362.599      5.00955  364.106      7.10666  361.11       7.06269  19.0765  0.186268  18.9978  0.185881  
1 1 1 5  2  21 o 21.1018  0.144695  445.451      6.10663  449.904      8.71231  441.15       8.5618   21.2029  0.205451  20.9957  0.203894  
1 1 1 5  2  22 o 5.40239  0.0911789 29.1909      0.985168 29.7773      1.40139  28.6179      1.38523  5.45592  0.128429  5.34864  0.129493  
1 1 1 5  2  23 o 7.27708  0.0967789 52.967       1.40853  52.6605      2.01093  53.2622      1.97353  7.25518  0.138586  7.29658  0.135237  
1 1 1 5  2  24 o 16.0604  0.130004  258.052      4.17584  255.885      5.86162  260.286      5.95043  15.9892  0.1833    16.126   0.184498  
1 1 1 5  2  25 o 3.34585  0.192534  11.2079      1.28838  9.51638      1.81214  12.9369      1.83212  3.08063  0.294118  3.59307  0.254951  
1 1 1 5  2  26 o 5.06953  0.12501   25.7175      1.26748  26.0889      1.79222  25.3458      1.79275  5.10429  0.17556   5.03097  0.178172  
1 1 1 5  2  27 o 5.68926  0.118441  32.3924      1.34769  32.8409      1.93523  31.9701      1.87789  5.72627  0.168978  5.64998  0.166186  
1 1 1 5  2  28 o 3.75435  0.141675  14.1143      1.06379  14.3103      1.50607  13.9192      1.5028   3.77775  0.199335  3.72565  0.201682  
1 1 1 5  2  29 o 6.94711  0.0981771 48.3044      1.36409  47.587       1.92187  49.0329      1.93645  6.89226  0.139422  6.99628  0.138392  
1 1 1 5  2  30 o 5.94783  0.104671  35.4207      1.24513  35.0637      1.75978  35.7785      1.76199  5.91401  0.14878   5.97411  0.147469  
1 1 1 5  2  31 o 1.43372  0.343261  2.17259      0.972698 4.03474      1.37525  0.308511     1.37596  1.96014  0.364427  1.00826  0.417603  
1 1 1 5  2  32 o 6.71535  0.100442  45.175       1.34901  45.5292      1.9043   44.8182      1.9113   6.73577  0.141357  6.68269  0.143003  
1 1 1 5  2  33 o 1.04636  0.362522  1.02333      0.926819 0.948229     1.30273  1.1003       1.31885  1.11452  0.423256  1.15413  0.428739  
1 1 1 5  2  34 o 3.29753  0.149598  10.9352      0.986612 10.9829      1.38722  10.8863      1.40348  3.29574  0.210457  3.28061  0.213906  
1 1 1 5  2  35 o 0.911111 0.373476  0.351105     1.08705  1.19911      1.53179  -0.509269    1.54292  1.21032  0.459158  0.917873 0.410037  
1 1 1 5  2  36 o 1.44311  0.379582  2.26959      1.11029  1.57455      1.5912   2.92911      1.55     1.29508  0.472345  1.62502  0.457563  
1 1 1 5  2  37 o 2.37505  0.232364  5.76209      1.10375  5.04903      1.53633  6.52275      1.58678  2.19389  0.350139  2.50422  0.316821  
1 1 1 5  2  38 o 3.28233  0.176848  10.9435      1.16095  11.9936      1.6365   9.87964      1.64721  3.41422  0.239658  3.08845  0.266673  
1 1 1 5  2  39 o 2.74248  0.195669  7.69079      1.07323  6.25441      1.51801  9.1263       1.51755  2.43203  0.312087  2.96427  0.255974  
1 1 1 5  2  40 f 2.41218  0.219947  6.01513      1.0611   4.19159      1.49359  7.87346      1.50777  1.91348  0.402938  2.73442  0.275703  
1 1 1 5  2  41 o 1.16563  0.381692  1.503        1.02505  2.7529       1.45998  0.28792      1.4395   1.52029  0.449349  0.967555 0.414993  
1 1 1 5  2  42 o 1.47112  0.352319  2.50697      1.02448  2.12856      1.44311  2.89143      1.45461  1.33074  0.452889  1.52987  0.447361  
1 1 1 5  2  43 o 2.27365  0.230218  5.50875      1.04687  5.522        1.48311  5.49558      1.47791  2.20038  0.337011  2.19546  0.336584  
1 1 1 5  2  44 o 1.5376   0.323604  2.81673      0.963807 2.03242      1.35236  3.62629      1.37396  1.23638  0.436971  1.66705  0.413558  
1 1 1 5  2  45 o 0.530586 0.263272  -2.00835     1.05942  -0.722207    1.4847   -3.34253     1.51218  0.768453 0.363006  0.589273 0.295375  
1 1 1 5  2  46 o 1.59399  0.404945  3.76169      1.29396  3.95671      1.79707  3.55172      1.86469  1.43685  0.504128  1.33455  0.506509  
1 1 1 5  2  47 o 0.747028 0.366682  -0.62645     1.87221  -2.57197     2.62444  1.38963      2.6716   0.739396 0.373195  0.914697 0.446297  
1 1 1 5  2  48 o ?        ?         6.246        5.43227  6.246        5.43227  0            0        ?        ?         ?        ?         
1 1 1 5  3  0  o 2.70363  0.0485715 7.31681      0.262448 7.31681      0.262448 7.31681      0.262448 2.7043   0.0343243 ?        ?         
1 1 1 5  3  1  o 4.53242  0.0389041 20.5433      0.35266  21.6961      0.534219 19.6528      0.469498 4.65781  0.0573466 4.43307  0.0529541 
1 1 1 5  3  2  o 6.12967  0.0541774 37.5743      0.66418  36.9248      0.910673 38.3125      0.97079  6.07634  0.074936  6.18944  0.0784231 
1 1 1 5  3  3  o 18.2658  0.128226  333.719      4.6843   331.616      6.50633  335.982      6.74958  18.2059  0.178687  18.3251  0.184162  
1 1 1 5  3  4  o 28.2518  0.190642  798.634      10.772   800.461      14.9459  796.659      15.5391  28.276   0.264286  28.2074  0.275443  
1 1 1 5  3  5  o 16.7419  0.111669  280.352      3.7391   281.603      5.30887  279.12       5.26715  16.7773  0.158216  16.7031  0.157669  
1 1 1 5  3  6  o 32.3252  0.22067   1045.89      14.2664  1045.98      20.406   1045.81      19.9531  32.3102  0.315782  32.3088  0.308787  
1 1 1 5  3  7  o 28.8916  0.193181  835.368      11.1626  837.561      15.6604  833.103      15.9154  28.9185  0.270769  28.8405  0.27592   
1 1 1 5  3  8  o 26.3715  0.176658  695.931      9.31744  697.04       13.058   694.781      13.2991  26.3835  0.247464  26.34    0.25245   
1 1 1 5  3  9  o 26.4101  0.178991  698.014      9.45436  703.231      13.7681  693.36       13.0054  26.4974  0.2598    26.3128  0.247131  
1 1 1 5  3  10 o 27.972   0.198424  783.191      11.1007  785.592      16.1325  781.032      15.2981  27.9997  0.288084  27.921   0.273953  
1 1 1 5  3  11 o 8.18503  0.0768236 67.0049      1.25761  66.7042      1.77142  67.3104      1.78572  8.16603  0.108463  8.20304  0.108845  
1 1 1 5  3  12 o 6.33455  0.0633542 40.1309      0.802641 40.5664      1.13207  39.6906      1.13817  6.3685   0.0888805 6.29935  0.0903399 
1 1 1 5  3  13 f 12.0139  0.106156  144.379      2.55071  143.379      3.52812  145.475      3.69194  11.9705  0.147368  12.0574  0.153099  
1 1 1 5  3  14 o 15.465   0.115534  239.252      3.57348  240.772      5.01872  237.689      5.08934  15.5114  0.161775  15.4116  0.165114  
1 1 1 5  3  15 o 5.2833   0.0668755 27.9164      0.706647 28.9489      1.0139   26.941       0.985404 5.37982  0.0942321 5.18989  0.0949349 
1 1 1 5  3  16 o 8.35802  0.0711657 69.8648      1.18961  69.1003      1.65662  70.6787      1.70934  8.31168  0.0996561 8.40603  0.101674  
1 1 1 5  3  17 o 26.8445  0.183526  721.083      9.85331  725.307      14.0125  716.951      13.8582  26.9141  0.260319  26.7588  0.258946  
1 1 1 5  3  18 o 9.94864  0.0810591 98.9856      1.61286  99.4695      2.31038  98.5256      2.25256  9.97239  0.115839  9.925    0.113479  
1 1 1 5  3  19 o 2.23972  0.139452  5.01777      0.624667 4.1703       0.87363  5.9043       0.893532 2.04143  0.213976  2.42926  0.18391   
1 1 1 5  3  20 o 13.572   0.101207  184.227      2.74715  183.198      3.91519  185.224      3.85561  13.5329  0.144655  13.6076  0.141671  
1 1 1 5  3  21 o 6.87702  0.0795689 47.2988      1.09439  45.4791      1.52358  49.2385      1.57301  6.74303  0.112975  7.01621  0.112098  
1 1 1 5  3  22 o 10.5321  0.0890636 110.943      1.87605  111.489      2.6638   110.406      2.6426   10.5571  0.126162  10.5057  0.12577   
1 1 1 5  3  23 o 17.1243  0.136561  293.366      4.67702  295.251      6.74787  291.624      6.48838  17.1753  0.196441  17.0699  0.190053  
1 1 1 5  3  24 o 14.3232  0.115714  205.227      3.31479  204.946      4.73219  205.498      4.64468  14.3106  0.165338  14.3301  0.16206   
1 1 1 5  3  25 o 9.01357  0.118306  81.281       2.13272  80.9735      3.00627  81.5925      3.02606  8.99449  0.167117  9.02879  0.167579  
1 1 1 5  3  26 o 2.70675  0.203325  7.33978      1.1007   7.49817      1.53245  7.17099      1.58199  2.7335   0.280308  2.67266  0.295957  
1 1 1 5  3  27 o 8.49673  0.103639  72.2372      1.76119  71.0315      2.49564  73.4334      2.48578  8.42294  0.148145  8.56438  0.145123  
1 1 1 5  3  28 o 6.68276  0.0992105 44.6894      1.326    45.2134      1.8821   44.173       1.86847  6.71951  0.140047  6.64171  0.140662  
1 1 1 5  3  29 o 3.55973  0.143005  12.6956      1.01812  10.5905      1.42316  14.9024      1.45712  3.24712  0.219143  3.85402  0.189039  
1 1 1 5  3  30 o 3.37871  0.150013  11.4451      1.0137   11.4003      1.43112  11.4901      1.43607  3.3677   0.212477  3.38094  0.212377  
1 1 1 5  3  31 o 4.40786  0.122821  19.4711      1.08275  17.6696      1.51069  21.3741      1.55267  4.19376  0.180111  4.61384  0.168262  
1 1 1 5  3  32 o 4.34672  0.123995  18.945       1.07794  18.1362      1.50823  19.7896      1.54119  4.24684  0.177571  4.43674  0.173685  
1 1 1 5  3  33 o 1.32027  0.346125  1.8517       0.925125 2.54415      1.30894  1.16054      1.30771  1.54122  0.415253  1.16595  0.427917  
1 1 1 5  3  34 o 1.40333  0.334742  2.10428      0.927682 1.85489      1.30036  2.36274      1.32383  1.33941  0.429407  1.48333  0.424542  
1 1 1 5  3  35 o 3.43922  0.163747  11.9254      1.12633  11.4354      1.58785  12.4216      1.59793  3.35291  0.236787  3.49653  0.228502  
1 1 1 5  3  36 o 2.98433  0.197482  9.03123      1.1787   10.4963      1.67858  7.60609      1.65554  3.20016  0.262265  2.71252  0.305166  
1 1 1 5  3  37 o 0.91677  0.372842  0.424367     1.07483  1.0259       1.53847  -0.149168    1.50224  1.16362  0.45552   0.948678 0.415503  
1 1 1 5  3  38 o 2.98169  0.187733  9.04882      1.11952  7.83817      1.56408  10.3206      1.60312  2.744    0.285001  3.16171  0.253521  
1 1 1 5  3  39 o 0.986433 0.372407  0.842779     1.00359  -0.30995     1.40911  2.02944      1.42969  0.880978 0.392749  1.35407  0.450778  
1 1 1 5  3  40 o 2.40865  0.218107  5.99618      1.05069  7.59005      1.50217  4.46953      1.47015  2.68195  0.280051  1.98879  0.383287  
1 1 1 5  3  41 o 0.90755  0.36579   0.555058     1.02242  -0.416263    1.45461  1.50352      1.43739  0.86702  0.392238  1.2047   0.447578  
1 1 1 5  3  42 o 1.22329  0.380026  1.74606      1.02673  -0.837482    1.45007  4.34351      1.45397  0.801246 0.372914  1.92073  0.392061  
1 1 1 5  3  43 o 1.94683  0.262025  4.11354      1.02024  3.218        1.43427  5.03079      1.45156  1.58246  0.438396  2.09193  0.346943  
1 1 1 5  3  44 o 1.72656  0.282141  3.35358      0.974269 2.06668      1.37338  4.65729      1.38232  1.24207  0.440214  1.94393  0.368903  
1 1 1 5  3  45 o 0.970918 0.382133  1.09947      1.08691  1.57636      1.54051  0.626747     1.53376  1.09438  0.44593   0.93954  0.41517   
1 1 1 5  3  46 o 0.633187 0.308221  -1.19404     1.24722  -3.25365     1.77377  0.820051     1.75406  0.63067  0.317333  0.923908 0.421992  
1 1 1 5  3  47 o 0.890978 0.41732   1.26434      1.86228  2.40442      2.71537  0.251875     2.5589   0.971243 0.468378  0.84914  0.418406  
1 1 1 5  3  48 o ?        ?         -4.5541      3.69883  4.32945      5.27402  -13.1532     5.1889   ?        ?         ?        ?         
1 1 1 5  4  0  o 1.09999  0.0844252 1.23128      0.183217 1.23128      0.183217 1.23128      0.183217 1.10491  0.0590109 ?        ?         
1 1 1 5  4  1  o 7.52915  0.0565216 56.6906      0.851119 56.7285      1.20447  56.6527      1.20286  7.5315   0.079962  7.52646  0.0799089 
1 1 1 5  4  2  o 13.1992  0.100574  174.243      2.65497  173.78       3.79734  174.686      3.71346  13.1805  0.144051  13.2149  0.140502  
1 1 1 5  4  3  o 29.4341  0.205674  866.936      12.1077  862.72       16.8454  871.442      17.4144  29.3528  0.286947  29.4997  0.295163  
1 1 1 5  4  4  o 18.7025  0.128225  349.879      4.79624  344.954      6.48269  355.835      7.12909  18.5681  0.174566  18.8578  0.189023  
1 1 1 5  4  5  o 14.7675  0.0998284 218.118      2.94843  219.531      4.15164  216.68       4.18802  14.8139  0.140127  14.7173  0.142282  
1 1 1 5  4  6  o 21.8517  0.148058  477.701      6.47063  476.38       9.33195  478.925      8.97991  21.8162  0.213877  21.8752  0.205254  
1 1 1 5  4  7  o 24.4954  0.162426  600.356      7.95739  596.683      11.1902  604.114      11.3178  24.4134  0.229181  24.5648  0.230366  
1 1 1 5  4  8  o 19.1163  0.127593  365.564      4.87819  364.033      6.87233  367.119      6.92557  19.0727  0.180162  19.1533  0.180793  
1 1 1 5  4  9  o 28.5733  0.193533  817.155      11.0598  819.47       15.348   814.655      15.9511  28.6019  0.268304  28.5156  0.279691  
1 1 1 5  4  10 o 25.4134  0.170743  646.309      8.67832  650.816      12.4906  642.103      12.0664  25.492   0.24499   25.3218  0.238261  
1 1 1 5  4  11 o 4.55244  0.0616663 20.7268      0.561464 20.7333      0.807708 20.7207      0.781024 4.55292  0.0887023 4.55156  0.0857974 
1 1 1 5  4  12 o 12.4185  0.100588  154.261      2.4983   155.259      3.55323  153.284      3.51336  12.4569  0.142621  12.3774  0.141926  
1 1 1 5  4  13 o 4.64591  0.073847  21.5878      0.686174 20.338       0.93477  23.0481      1.01043  4.50909  0.103654  4.8001   0.105251  
1 1 1 5  4  14 o 12.2847  0.0975455 150.953      2.39664  148.038      3.28505  154.269      3.5043   12.1642  0.13503   12.4173  0.141106  
1 1 1 5  4  15 o 19.2869  0.136583  372.155      5.26852  372.83       7.46468  371.486      7.43702  19.2998  0.193387  19.265   0.193018  
1 1 1 5  4  16 o 7.91232  0.0705928 62.6121      1.11711  62.1967      1.60869  62.9989      1.55246  7.88552  0.102003  7.93629  0.0978076 
1 1 1 5  4  17 o 5.7097   0.0705785 32.6037      0.805965 32.2277      1.1094   33.024       1.17285  5.67643  0.0977201 5.74609  0.102057  
1 1 1 5  4  18 o 4.68145  0.0780738 21.918       0.730997 21.1213      1.02629  22.7383      1.04144  4.59535  0.111667  4.76803  0.109211  
1 1 1 5  4  19 o 10.9832  0.0887611 120.644      1.94976  119.426      2.76601  121.847      2.74882  10.9269  0.126569  11.0372  0.124526  
1 1 1 5  4  20 o 2.16244  0.153448  4.67782      0.663644 5.00898      0.937835 4.34567      0.939234 2.23731  0.209589  2.08381  0.225365  
1 1 1 5  4  21 o 17.5866  0.123487  309.377      4.34346  309.412      6.14104  309.342      6.14411  17.5851  0.174609  17.5831  0.174716  
1 1 1 5  4  22 o 2.8564   0.142643  8.1625       0.814888 8.14569      1.15327  8.17926      1.15158  2.85284  0.202127  2.85872  0.201416  
1 1 1 5  4  23 o 8.61669  0.0998151 74.2644      1.72015  73.8828      2.40614  74.6632      2.46008  8.59356  0.139997  8.63875  0.142386  
1 1 1 5  4  24 o 8.60763  0.0943888 74.1092      1.62493  72.6585      2.30221  75.5493      2.2938   8.52186  0.135077  8.68983  0.131982  
1 1 1 5  4  25 o 9.40909  0.118458  88.5716      2.22916  86.334       3.10536  90.9504      3.20187  9.28735  0.167182  9.53238  0.167947  
1 1 1 5  4  26 o 7.15984  0.101256  51.2868      1.44995  52.2043      2.01992  50.3115      2.08261  7.22207  0.139843  7.08961  0.146878  
1 1 1 5  4  27 o 6.90928  0.105131  47.7676      1.45276  48.2919      2.07162  47.2603      2.03784  6.94493  0.149146  6.8704   0.148305  
1 1 1 5  4  28 f 3.06036  0.164088  9.38338      1.00434  9.55168      1.42831  9.21878      1.41252  3.08474  0.231511  3.03043  0.233056  
1 1 1 5  4  29 o 0.756206 0.328922  -0.156067    0.928248 -0.370781    1.31858  0.0548822    1.30697  0.875912 0.386272  0.942423 0.399499  
1 1 1 5  4  30 o 0.947422 0.359066  0.653897     0.935979 -0.419762    1.32218  1.73244      1.32518  0.868039 0.384279  1.32531  0.433989  
1 1 1 5  4  31 o 3.92441  0.132949  15.4403      1.04349  15.7775      1.4775   15.1046      1.47394  3.9621   0.186454  3.8763   0.190122  
1 1 1 5  4  32 o 4.48256  0.119545  20.1443      1.07173  22.9637      1.53448  17.4592      1.49751  4.78106  0.160474  4.16643  0.179712  
1 1 1 5  4  33 o 2.2704   0.204378  5.19976      0.928038 5.51415      1.31335  4.88623      1.31154  2.32906  0.281947  2.19018  0.299415  
1 1 1 5  4  34 o 4.91661  0.116529  24.258       1.14585  23.3077      1.60069  25.2568      1.64102  4.81069  0.166368  5.00833  0.163829  
1 1 1 5  4  35 o 2.88821  0.189163  8.43399      1.09269  9.91698      1.54309  6.94249      1.54751  3.11968  0.247315  2.5994   0.297667  
1 1 1 5  4  36 o 0.879386 0.371974  0.144618     1.12909  -0.056217    1.61209  0.337996     1.58188  0.998782 0.433934  1.05246  0.44249   
1 1 1 5  4  37 o 1.20098  0.389895  1.50569      1.06962  1.95373      1.55086  1.09921      1.47718  1.37124  0.469492  1.16539  0.448368  
1 1 1 5  4  38 o 2.04417  0.268973  4.33187      1.09965  4.59436      1.54467  4.06214      1.56583  2.03749  0.393092  1.89911  0.42321   
1 1 1 5  4  39 o 2.26653  0.234791  5.30569      1.06432  4.13013      1.48919  6.53312      1.52169  1.91278  0.402014  2.48754  0.305862  
1 1 1 5  4  40 o 1.48694  0.346944  2.48374      1.01389  3.95316      1.44336  1.05238      1.42455  1.85642  0.400169  1.11171  0.437499  
1 1 1 5  4  41 o 2.59624  0.206792  6.96807      1.07377  7.46229      1.5311   6.48976      1.50627  2.64563  0.289364  2.45799  0.306402  
1 1 1 5  4  42 o 1.26     0.38154   1.86814      1.04386  3.75464      1.46518  -0.0763713   1.48754  1.75906  0.421376  0.906555 0.403859  
1 1 1 5  4  43 o 0.935871 0.365549  0.823211     0.989615 1.9081       1.40316  -0.250527    1.39593  1.24144  0.444461  0.840833 0.381886  
1 1 1 5  4  44 o 1.28395  0.361673  2.06433      0.968226 1.73455      1.37072  2.39273      1.36784  1.16144  0.435965  1.3229   0.44092   
1 1 1 5  4  45 o 1.10206  0.395161  1.61527      1.10952  0.303226     1.57026  2.92342      1.56793  0.900043 0.407337  1.37706  0.472057  
1 1 1 5  4  46 o 0.779669 0.355864  0.177985     1.24497  0.514311     1.76182  -0.157448    1.75948  0.890312 0.413086  0.825139 0.39232   
1 1 1 5  4  47 o 0.707464 0.349304  -1.09087     1.80657  -0.878846    2.57389  -1.29674     2.53626  0.794955 0.396618  0.774472 0.387236  
1 1 1 5  4  48 o 0.849187 0.430149  1.7301       3.67421  -1.47328     5.09764  5.19353      5.30052  ?        ?         ?        ?         
1 1 1 5  5  0  o 25.0363  0.383736  627.928      19.2045  627.928      19.2045  627.928      19.2045  25.0472  0.271152  ?        ?         
1 1 1 5  5  1  f 3.71017  0.0631363 13.7777      0.468187 13.7777      0.468187 13.7777      0.468187 3.71101  0.0446195 ?        ?         
1 1 1 5  5  2  f 18.9558  0.205955  359.565      7.80599  359.565      7.80599  359.565      7.80599  18.9589  0.145588  ?        ?         
1 1 1 5  5  3  o 2.90244  0.0604042 8.43534      0.350296 8.43534      0.350296 8.43534      0.350296 2.9034   0.0426771 ?        ?         
1 1 1 5  5  4  f 17.0871  0.164569  292.12       5.62283  292.12       5.62283  292.12       5.62283  17.0893  0.116341  ?        ?         
1 1 1 5  5  5  o 16.0084  0.151054  256.393      4.83529  256.393      4.83529  256.393      4.83529  16.0103  0.106788  ?        ?         
1 1 1 5  5  6  o 37.5097  0.366091  1409.27      27.4581  1409.27      27.4581  1409.27      27.4581  37.5248  0.258734  ?        ?         
1 1 1 5  5  7  o 4.88993  0.0641595 23.9248      0.627227 23.9248      0.627227 23.9248      0.627227 4.89061  0.0453525 ?        ?         
1 1 1 5  5  8  o 7.48629  0.0816456 56.0687      1.22212  56.0687      1.22212  56.0687      1.22212  7.48709  0.0577182 ?        ?         
1 1 1 5  5  9  o 30.9728  0.29015   960.531      17.9699  960.531      17.9699  960.531      17.9699  30.9826  0.205082  ?        ?         
1 1 1 5  5  10 o 3.59591  0.0882784 12.9552      0.634018 12.9552      0.634018 12.9552      0.634018 3.59763  0.0623498 ?        ?         
1 1 1 5  5  11 o 6.19877  0.0882299 38.4521      1.09334  38.4521      1.09334  38.4521      1.09334  6.19987  0.0623627 ?        ?         
1 1 1 5  5  12 o 3.94935  0.105611  15.6332      0.832844 15.6332      0.832844 15.6332      0.832844 3.95162  0.0745749 ?        ?         
1 1 1 5  5  13 o 19.5577  0.209903  382.874      8.20831  382.874      8.20831  382.874      8.20831  19.5625  0.148369  ?        ?         
1 1 1 5  5  14 o 22.1637  0.243161  491.784      10.7758  491.784      10.7758  491.784      10.7758  22.1699  0.171869  ?        ?         
1 1 1 5  5  15 f 5.64128  0.0942179 31.8541      1.06235  31.8541      1.06235  31.8541      1.06235  5.64261  0.0665854 ?        ?         
1 1 1 5  5  16 o 7.86829  0.0995722 61.9468      1.56636  61.9468      1.56636  61.9468      1.56636  7.86946  0.070385  ?        ?         
1 1 1 5  5  17 o 4.90137  0.100172  24.0557      0.981033 24.0557      0.981033 24.0557      0.981033 4.90301  0.070775  ?        ?         
1 1 1 5  5  18 o 6.48361  0.100243  42.0704      1.29917  42.0704      1.29917  42.0704      1.29917  6.48489  0.0708495 ?        ?         
1 1 1 5  5  19 o 33.9285  0.319636  1152.32      21.6852  1152.32      21.6852  1152.32      21.6852  33.937   0.225938  ?        ?         
1 1 1 5  5  20 o 1.87468  0.266254  3.72361      0.940473 3.72361      0.940473 3.72361      0.940473 1.90484  0.17814   ?        ?         
1 1 1 5  5  21 o 9.8637   0.12125   97.35        2.39114  97.35        2.39114  97.35        2.39114  9.86515  0.0857096 ?        ?         
1 1 1 5  5  22 o 1.8031   0.343934  3.58768      1.10775  3.58768      1.10775  3.58768      1.10775  1.8563   0.217786  ?        ?         
1 1 1 5  5  23 o 2.26823  0.330848  5.46892      1.40659  5.46892      1.40659  5.46892      1.40659  2.30694  0.220176  ?        ?         
1 1 1 5  5  24 o 10.9125  0.141223  119.176      3.08105  119.176      3.08105  119.176      3.08105  10.9146  0.0998218 ?        ?         
1 1 1 5  5  25 o 1.6712   0.564836  3.61868      1.68486  3.61868      1.68486  3.61868      1.68486  1.7937   0.377399  ?        ?         
1 1 1 5  5  26 o 2.29739  0.368588  5.68518      1.56229  5.68518      1.56229  5.68518      1.56229  2.34638  0.241248  ?        ?         
1 1 1 5  5  27 o 5.04038  0.16814   25.5105      1.6907   25.5105      1.6907   25.5105      1.6907   5.04561  0.118618  ?        ?         
1 1 1 5  5  28 o 0.732506 0.459107  0.357711     1.35695  0.357711     1.35695  0.357711     1.35695  0.640385 0.394258  ?        ?         
1 1 1 5  5  29 o 6.78807  0.135961  46.1746      1.84415  46.1746      1.84415  46.1746      1.84415  6.79164  0.0960444 ?        ?         
1 1 1 5  5  30 o 3.27193  0.214326  10.8712      1.38871  10.8712      1.38871  10.8712      1.38871  3.28472  0.150191  ?        ?         
1 1 1 5  5  31 o 0.698909 0.443547  0.247701     1.30975  0.247701     1.30975  0.247701     1.30975  0.604929 0.379202  ?        ?         
1 1 1 5  5  32 o 6.32878  0.140704  40.184       1.77898  40.184       1.77898  40.184       1.77898  6.33393  0.0993561 ?        ?         
1 1 1 5  5  33 o 0.870518 0.489821  1.06958      1.27848  1.06958      1.27848  1.06958      1.27848  0.843185 0.430123  ?        ?         
1 1 1 5  5  34 o 2.18663  0.344201  5.189        1.39361  5.189        1.39361  5.189        1.39361  2.2375   0.225457  ?        ?         
1 1 1 5  5  35 o 0.904682 0.509983  1.1798       1.38904  1.1798       1.38904  1.1798       1.38904  0.879986 0.44846   ?        ?         
1 1 1 5  5  36 o 0.709481 0.465817  -0.0344283   1.59815  -0.0344283   1.59815  -0.0344283   1.59815  0.598828 0.392571  ?        ?         
1 1 1 5  5  37 o 0.701913 0.45445   0.132801     1.45736  0.132801     1.45736  0.132801     1.45736  0.601557 0.386912  ?        ?         
1 1 1 5  5  38 o 1.67151  0.508763  3.60831      1.4819   3.60831      1.4819   3.60831      1.4819   1.80119  0.321518  ?        ?         
1 1 1 5  5  39 o 5.10306  0.178519  26.3841      1.81693  26.3841      1.81693  26.3841      1.81693  5.11983  0.12564   ?        ?         
1 1 1 5  5  40 o 1.90088  0.433434  4.31467      1.4336   4.31467      1.4336   4.31467      1.4336   2.00457  0.262966  ?        ?         
1 1 1 5  5  41 o 2.55556  0.306138  7.0378       1.51387  7.0378       1.51387  7.0378       1.51387  2.60641  0.208418  ?        ?         
1 1 1 5  5  42 o 0.635824 0.424418  -0.104328    1.41612  -0.104328    1.41612  -0.104328    1.41612  0.538386 0.358753  ?        ?         
1 1 1 5  5  43 o 0.584726 0.399266  -0.393937    1.38005  -0.393937    1.38005  -0.393937    1.38005  0.484054 0.331921  ?        ?         
1 1 1 5  5  44 o 0.908305 0.507169  1.50229      1.35651  1.50229      1.35651  1.50229      1.35651  0.945466 0.44899   ?        ?         
1 1 1 5  5  45 o 3.08535  0.283424  10.4812      1.715    10.4812      1.715    10.4812      1.715    3.16337  0.19333   ?        ?         
1 1 1 5  5  46 o 0.721767 0.480788  0.690682     1.79484  0.690682     1.79484  0.690682     1.79484  0.676092 0.432652  ?        ?         
1 1 1 5  5  47 o 0.80519  0.545443  1.8651       2.50588  1.8651       2.50588  1.8651       2.50588  0.831897 0.522668  ?        ?         
1 1 1 5  5  48 o ?        ?         -5.71343     5.34692  -5.71343     5.34692  -5.71343     5.34692  0.544022 0.407403  ?        ?         
1 1 1 6  0  0  o 31.7295  0.458903  1008.55      29.1078  1008.55      29.1078  1008.55      29.1078  31.7433  0.324276  ?        ?         
1 1 1 6  0  1  o 12.4637  0.125348  155.404      3.12388  155.404      3.12388  155.404      3.12388  12.4649  0.0886155 ?        ?         
1 1 1 6  0  2  o 1.05185  0.0670575 1.11986      0.139755 1.11986      0.139755 1.11986      0.139755 1.05509  0.0470436 ?        ?         
1 1 1 6  0  3  o 3.5445   0.0473259 12.5704      0.335359 12.5704      0.335359 12.5704      0.335359 3.54499  0.0334532 ?        ?         
1 1 1 6  0  4  o 21.5718  0.206286  465.623      8.8981   465.623      8.8981   465.623      8.8981   21.575   0.14583   ?        ?         
1 1 1 6  0  5  o 12.7984  0.126964  163.87       3.24915  163.87       3.24915  163.87       3.24915  12.7998  0.0897576 ?        ?         
1 1 1 6  0  6  o 5.02311  0.0618903 25.244       0.621551 25.244       0.621551 25.244       0.621551 5.02372  0.0437502 ?        ?         
1 1 1 6  0  7  o 6.82261  0.0836883 46.5723      1.14156  46.5723      1.14156  46.5723      1.14156  6.8235   0.0591588 ?        ?         
1 1 1 6  0  8  o 45.0503  0.421012  2033.96      37.926   2033.96      37.926   2033.96      37.926   45.0746  0.297511  ?        ?         
1 1 1 6  0  9  o 3.06754  0.0730543 9.42641      0.44762  9.42641      0.44762  9.42641      0.44762  3.0689   0.0516012 ?        ?         
1 1 1 6  0  10 o 13.3696  0.129507  178.834      3.46219  178.834      3.46219  178.834      3.46219  13.3712  0.0915546 ?        ?         
1 1 1 6  0  11 o 11.0243  0.131057  121.614      2.88871  121.614      2.88871  121.614      2.88871  11.0261  0.0926414 ?        ?         
1 1 1 6  0  12 o 4.83937  0.0816644 23.4416      0.789902 23.4416      0.789902 23.4416      0.789902 4.84052  0.0577133 ?        ?         
1 1 1 6  0  13 o 23.5913  0.303444  557.533      14.3119  557.533      14.3119  557.533      14.3119  23.6017  0.214432  ?        ?         
1 1 1 6  0  14 o 17.1321  0.181627  293.738      6.22173  293.738      6.22173  293.738      6.22173  17.1355  0.128388  ?        ?         
1 1 1 6  0  15 o 5.25795  0.100448  27.6797      1.05543  27.6797      1.05543  27.6797      1.05543  5.25955  0.0709762 ?        ?         
1 1 1 6  0  16 o 7.84231  0.0967972 61.5366      1.51771  61.5366      1.51771  61.5366      1.51771  7.84341  0.0684245 ?        ?         
1 1 1 6  0  17 o 7.74851  0.115811  60.0875      1.79382  60.0875      1.79382  60.0875      1.79382  7.75006  0.0818537 ?        ?         
1 1 1 6  0  18 o 4.18709  0.112963  17.5717      0.944419 17.5717      0.944419 17.5717      0.944419 4.18948  0.0797655 ?        ?         
1 1 1 6  0  19 o 14.9439  0.151038  223.427      4.51315  223.427      4.51315  223.427      4.51315  14.9457  0.106775  ?        ?         
1 1 1 6  0  20 o 2.96024  0.16922   8.85047      0.994371 8.85047      0.994371 8.85047      0.994371 2.96769  0.118897  ?        ?         
1 1 1 6  0  21 o 12.46    0.135406  155.333      3.37343  155.333      3.37343  155.333      3.37343  12.4616  0.0957213 ?        ?         
1 1 1 6  0  22 o 9.77951  0.122358  95.6986      2.39237  95.6986      2.39237  95.6986      2.39237  9.78104  0.0864917 ?        ?         
1 1 1 6  0  23 o 8.50675  0.136531  72.4358      2.32151  72.4358      2.32151  72.4358      2.32151  8.50883  0.0964899 ?        ?         
1 1 1 6  0  24 o 5.3052   0.164085  28.2358      1.73724  28.2358      1.73724  28.2358      1.73724  5.30948  0.115805  ?        ?         
1 1 1 6  0  25 o 3.45692  0.267138  12.1762      1.82158  12.1762      1.82158  12.1762      1.82158  3.47353  0.186641  ?        ?         
1 1 1 6  0  26 o 13.7354  0.168953  188.863      4.6397   188.863      4.6397   188.863      4.6397   13.7391  0.119416  ?        ?         
1 1 1 6  0  27 o 9.74108  0.15536   95.0232      3.02502  95.0232      3.02502  95.0232      3.02502  9.74455  0.109786  ?        ?         
1 1 1 6  0  28 o 1.15222  0.54831   1.97251      1.43124  1.97251      1.43124  1.97251      1.43124  1.20798  0.451268  ?        ?         
1 1 1 6  0  29 o 0.537692 0.374007  -1.06233     1.36293  -1.06233     1.36293  -1.06233     1.36293  0.418022 0.296808  ?        ?         
1 1 1 6  0  30 o 8.01684  0.137656  64.3955      2.20567  64.3955      2.20567  64.3955      2.20567  8.02076  0.0972576 ?        ?         
1 1 1 6  0  31 o 2.87194  0.257307  8.48217      1.45065  8.48217      1.45065  8.48217      1.45065  2.89273  0.178868  ?        ?         
1 1 1 6  0  32 o 1.34596  0.522415  2.51749      1.33243  2.51749      1.33243  2.51749      1.33243  1.45605  0.375     ?        ?         
1 1 1 6  0  33 o 0.732831 0.456267  0.441173     1.31327  0.441173     1.31327  0.441173     1.31327  0.650293 0.394232  ?        ?         
1 1 1 6  0  34 o 7.72815  0.139414  59.9284      2.15324  59.9284      2.15324  59.9284      2.15324  7.73477  0.0984599 ?        ?         
1 1 1 6  0  35 o 0.550975 0.386798  -1.32633     1.52965  -1.32633     1.52965  -1.32633     1.52965  0.42843  0.306427  ?        ?         
1 1 1 6  0  36 o 3.39632  0.239818  11.8235      1.61034  11.8235      1.61034  11.8235      1.61034  3.41771  0.167503  ?        ?         
1 1 1 6  0  37 o 5.00707  0.185972  25.3457      1.85652  25.3457      1.85652  25.3457      1.85652  5.02079  0.130933  ?        ?         
1 1 1 6  0  38 o 3.96995  0.21553   16.0813      1.69976  16.0813      1.69976  16.0813      1.69976  3.99027  0.151097  ?        ?         
1 1 1 6  0  39 o 2.88629  0.262008  8.69677      1.48381  8.69677      1.48381  8.69677      1.48381  2.91847  0.181359  ?        ?         
1 1 1 6  0  40 o 2.14849  0.377901  5.21255      1.4737   5.21255      1.4737   5.21255      1.4737   2.22406  0.240712  ?        ?         
1 1 1 6  0  41 o 1.61719  0.525602  3.54144      1.49876  3.54144      1.49876  3.54144      1.49876  1.76491  0.336066  ?        ?         
1 1 1 6  0  42 o 1.35609  0.548231  2.81348      1.44618  2.81348      1.44618  2.81348      1.44618  1.5077   0.393283  ?        ?         
1 1 1 6  0  43 o 1.00908  0.530326  1.78909      1.40125  1.78909      1.40125  1.78909      1.40125  1.07362  0.45684   ?        ?         
1 1 1 6  0  44 o 0.444938 0.322038  -1.78157     1.33774  -1.78157     1.33774  -1.78157     1.33774  0.342317 0.251229  ?        ?         
1 1 1 6  0  45 o 0.548367 0.382098  -0.683678    1.43773  -0.683678    1.43773  -0.683678    1.43773  0.449959 0.315725  ?        ?         
1 1 1 6  0  46 o 0.609303 0.425243  -0.438451    1.79534  -0.438451    1.79534  -0.438451    1.79534  0.52244  0.36319   ?        ?         
1 1 1 6  0  47 o 0.660374 0.475025  -0.426375    2.70334  -0.426375    2.70334  -0.426375    2.70334  0.593822 0.42081   ?        ?         
1 1 1 6  1  0  o 38.8783  0.387938  1513.31      30.158   1513.31      30.158   1513.31      30.158   38.8895  0.274204  ?        ?         
1 1 1 6  1  1  o 4.73366  0.0389865 22.4079      0.369097 21.9789      0.535087 22.7973      0.509795 4.68807  0.057069  4.77457  0.0533865 
1 1 1 6  1  2  o 11.957   0.0834654 142.984      1.996    141.592      2.8659   144.295      2.78153  11.8981  0.120435  12.0112  0.115789  
1 1 1 6  1  3  o 13.8906  0.0945915 192.974      2.62787  191.723      3.61702  194.373      3.82439  13.8447  0.130629  13.9398  0.137175  
1 1 1 6  1  4  o 22.0634  0.149114  486.966      6.57992  486.522      9.10052  487.453      9.5248   22.0496  0.206365  22.07    0.215786  
1 1 1 6  1  5  o 11.1959  0.076049  125.36       1.70287  121.48       2.33853  129.739      2.48454  11.0207  0.106097  11.3891  0.109075  
1 1 1 6  1  6  o 9.67816  0.0698991 93.6755      1.35299  92.6344      1.85238  94.866       1.98092  9.62382  0.0962392 9.73895  0.101701  
1 1 1 6  1  7  o 18.5278  0.128946  343.396      4.77818  344.205      7.10118  342.728      6.45911  18.5457  0.191451  18.5071  0.174504  
1 1 1 6  1  8  o 4.7171   0.0540218 22.2525      0.509653 22.8612      0.755232 21.7435      0.690612 4.78101  0.0789825 4.66271  0.074057  
1 1 1 6  1  9  o 6.89428  0.056015  47.5345      0.772365 48.5335      1.07614  46.4732      1.10919  6.96611  0.0772412 6.8166   0.0813593 
1 1 1 6  1  10 o 25.5627  0.169841  653.915      8.68318  653.553      12.2761  654.277      12.2836  25.5465  0.24027   25.5607  0.240284  
1 1 1 6  1  11 o 9.62289  0.08285   92.6163      1.59451  92.9661      2.26185  92.2706      2.24817  9.64019  0.117314  9.60407  0.117043  
1 1 1 6  1  12 o 6.27326  0.060073  39.3576      0.753707 39.6111      1.08356  39.1199      1.04908  6.29311  0.0860911 6.254    0.0838728 
1 1 1 6  1  13 o 1.90038  0.141342  3.61344      0.537207 3.42346      0.763551 3.79966      0.755956 1.84917  0.206458  1.94825  0.194009  
1 1 1 6  1  14 o 8.85881  0.075161  78.4904      1.33167  80.7614      1.92305  76.398       1.84587  8.98536  0.10701   8.73929  0.105607  
1 1 1 6  1  15 o 13.0869  0.100742  171.309      2.63679  170.377      3.58517  172.407      3.89163  13.0498  0.137365  13.1267  0.148233  
1 1 1 6  1  16 o 2.65614  0.0971145 7.05662      0.515899 7.012        0.732342 7.10058      0.726872 2.64741  0.138313  2.6641   0.13642   
1 1 1 6  1  17 o 14.0628  0.100029  197.801      2.81339  195.869      3.94483  199.801      4.01352  13.9926  0.140961  14.1323  0.141998  
1 1 1 6  1  18 o 1.70143  0.171384  2.89618      0.583195 3.16093      0.816063 2.61983      0.833746 1.77716  0.229598  1.61774  0.257689  
1 1 1 6  1  19 o 16.9505  0.11844   287.378      4.01521  285.891      5.65303  288.892      5.70406  16.9047  0.167203  16.9932  0.167833  
1 1 1 6  1  20 o 18.5315  0.128411  343.501      4.75932  345.564      6.76299  341.478      6.69884  18.5846  0.181952  18.4745  0.1813    
1 1 1 6  1  21 o 11.3095  0.0912482 127.923      2.06394  128.278      2.89202  127.554      2.94643  11.3243  0.127691  11.2923  0.130463  
1 1 1 6  1  22 o 4.30426  0.104759  18.5309      0.901817 18.4159      1.27125  18.6474      1.27951  4.29039  0.148151  4.31728  0.148185  
1 1 1 6  1  23 o 15.8205  0.130597  250.383      4.1322   249.05       5.66745  251.896      6.03772  15.7755  0.179628  15.8647  0.190288  
1 1 1 6  1  24 o 8.76914  0.100206  76.9185      1.75744  77.0981      2.49121  76.7405      2.47962  8.77817  0.141898  8.7578   0.141566  
1 1 1 6  1  25 o 4.98531  0.139882  24.8688      1.39471  24.9306      1.97983  24.808       1.9651   4.98992  0.198382  4.97767  0.197392  
1 1 1 6  1  26 o 7.47025  0.104422  55.8311      1.56011  55.1075      2.21031  56.5494      2.20238  7.41981  0.148947  7.51637  0.146505  
1 1 1 6  1  27 o 11.5494  0.111457  133.479      2.57451  134.245      3.65705  132.726      3.62499  11.5786  0.157923  11.5129  0.157431  
1 1 1 6  1  28 o 0.97763  0.372606  0.668261     1.0126   -0.947445    1.43238  2.28238      1.43167  0.839063 0.382614  1.49199  0.445837  
1 1 1 6  1  29 f 3.10721  0.161481  9.67774      1.00351  9.82134      1.42578  9.53678      1.41266  3.12649  0.228016  3.08078  0.22927   
1 1 1 6  1  30 o 4.89199  0.115728  23.9681      1.13228  22.4778      1.59058  25.4993      1.61221  4.73343  0.168016  5.04231  0.159868  
1 1 1 6  1  31 o 3.45219  0.149663  11.9556      1.03333  13.8561      1.47642  10.1308      1.44674  3.7119   0.198876  3.17112  0.228112  
1 1 1 6  1  32 o 6.06436  0.101683  36.8429      1.23328  36.887       1.73699  36.798       1.75134  6.06254  0.143256  6.05502  0.144619  
1 1 1 6  1  33 o 6.28981  0.101297  39.6457      1.27428  39.4943      1.80143  39.7974      1.80278  6.27115  0.143628  6.29525  0.143186  
1 1 1 6  1  34 o 2.39376  0.201358  5.78899      0.964006 5.62684      1.35997  5.95274      1.36667  2.34734  0.289684  2.41553  0.282893  
1 1 1 6  1  35 f 3.64269  0.168264  13.3838      1.22586  13.6644      1.68387  13.0674      1.78808  3.66716  0.229589  3.58098  0.249664  
1 1 1 6  1  36 o 3.1579   0.18273   10.0923      1.15409  10.2198      1.60512  9.95575      1.66054  3.16011  0.253966  3.11542  0.266503  
1 1 1 6  1  37 o 3.59469  0.161499  13.0561      1.16108  13.3658      1.62281  12.7312      1.66191  3.61971  0.224164  3.52913  0.235456  
1 1 1 6  1  38 o 1.06788  0.386038  1.0771       1.06078  0.866747     1.48686  1.29515      1.51385  1.1096   0.443642  1.20274  0.456409  
1 1 1 6  1  39 o 1.97702  0.257602  4.06162      1.01857  3.70487      1.43409  4.4248       1.44694  1.80824  0.406458  1.99601  0.376234  
1 1 1 6  1  40 f 3.06771  0.178385  9.62075      1.09447  7.98686      1.52505  11.3559      1.57162  2.75314  0.276966  3.30509  0.237758  
1 1 1 6  1  41 f 1.93914  0.270679  3.97319      1.04977  4.48981      1.48313  3.45451      1.48607  1.98203  0.387978  1.70696  0.434157  
1 1 1 6  1  42 o 1.38372  0.368932  2.24595      1.03997  2.75752      1.45662  1.71407      1.48526  1.49272  0.450446  1.23342  0.455624  
1 1 1 6  1  43 o 0.96975  0.370498  0.944406     1.00316  0.152709     1.41302  1.74894      1.42442  0.902993 0.398825  1.20584  0.446043  
1 1 1 6  1  44 f 0.631437 0.296161  -0.656543    0.949745 -0.245884    1.34997  -1.059       1.33642  0.810303 0.370146  0.713603 0.34031   
1 1 1 6  1  45 o 0.798826 0.348134  0.31178      1.04378  -0.585659    1.4624   1.24375      1.49026  0.776478 0.364841  1.03287  0.431614  
1 1 1 6  1  46 f 1.22867  0.423332  2.43315      1.26233  2.87075      1.69507  1.88828      1.89144  1.2374   0.479421  1.06084  0.465417  
1 1 1 6  1  47 o 0.889524 0.418282  1.22433      1.92949  2.77369      2.73024  -0.321539    2.72718  0.99751  0.478245  0.832455 0.41433   
1 1 1 6  1  48 o ?        ?         1.155        5.65732  1.155        5.65732  0            0        ?        ?         ?        ?         
1 1 1 6  2  0  o 30.0461  0.324562  903.688      19.4986  903.688      19.4986  903.688      19.4986  30.0536  0.229413  ?        ?         
1 1 1 6  2  1  o 11.7652  0.0881631 138.434      2.07452  139.651      2.81609  136.99       3.06764  11.8163  0.119161  11.7029  0.131063  
1 1 1 6  2  2  o 10.5316  0.0766376 110.924      1.61423  110.854      2.2541   110.997      2.31277  10.5279  0.107054  10.5346  0.10977   
1 1 1 6  2  3  o 6.10957  0.0493599 37.3282      0.603135 38.0388      0.845377 36.5915      0.860755 6.16734  0.0685366 6.04886  0.0711502 
1 1 1 6  2  4  o 1.40115  0.0529746 1.96331      0.148451 2.10376      0.214127 1.83333      0.205991 1.45037  0.0738181 1.35394  0.0760711 
1 1 1 6  2  5  o 4.29335  0.0394685 18.4334      0.338905 18.7824      0.479906 18.0862      0.478664 4.33375  0.0553685 4.25267  0.0562781 
1 1 1 6  2  6  o 19.8573  0.134781  394.449      5.35278  393.584      7.39346  395.402      7.75976  19.8322  0.186401  19.8773  0.195192  
1 1 1 6  2  7  o 10.8229  0.0753898 117.149      1.63187  118.406      2.3564   115.991      2.26213  10.8801  0.108289  10.7687  0.105033  
1 1 1 6  2  8  o 18.4594  0.12873   340.874      4.75257  340.923      6.88062  340.829      6.57228  18.4569  0.186397  18.455   0.178062  
1 1 1 6  2  9  o 25.7323  0.174497  662.624      8.98041  658.622      12.9145  666.37       12.4962  25.6444  0.2518    25.7963  0.24221   
1 1 1 6  2  10 o 20.5515  0.140334  422.569      5.76817  421.581      8.13846  423.566      8.17652  20.5224  0.198282  20.5707  0.198742  
1 1 1 6  2  11 o 17.5358  0.142342  307.663      4.99215  309.644      6.99693  305.609      7.12472  17.5877  0.198915  17.4723  0.203886  
1 1 1 6  2  12 o 5.69122  0.059845  32.3931      0.681182 31.5631      0.946855 33.2835      0.98071  5.61757  0.0842762 5.76863  0.0850038 
1 1 1 6  2  13 o 14.4806  0.130932  209.787      3.79194  205.788      5.46852  213.49       5.26262  14.3381  0.1907    14.6047  0.180169  
1 1 1 6  2  14 o 6.25773  0.0659901 39.1637      0.825897 39.5093      1.1736   38.8246      1.16247  6.28491  0.0933663 6.23022  0.0932929 
1 1 1 6  2  15 o 9.73149  0.0801938 94.7169      1.56081  92.7823      2.12074  97.0032      2.30545  9.6309   0.110101  9.84733  0.11706   
1 1 1 6  2  16 o 2.6276   0.0978725 6.90582      0.514339 6.95395      0.722478 6.85635      0.732395 2.63645  0.137017  2.61786  0.139885  
1 1 1 6  2  17 o 22.6434  0.155947  512.958      7.06236  512.014      9.97083  513.909      10.0046  22.6173  0.220425  22.659   0.220764  
1 1 1 6  2  18 o 9.94855  0.0810092 98.9837      1.61185  98.3549      2.29354  99.5974      2.26571  9.91636  0.115644  9.97884  0.113526  
1 1 1 6  2  19 o 8.2678   0.0754678 68.3623      1.24791  69.628       1.78454  67.1511      1.74571  8.34362  0.106941  8.19387  0.106525  
1 1 1 6  2  20 f 7.33836  0.0764851 53.8563      1.12255  53.1106      1.57487  54.6264      1.60049  7.28705  0.10806   7.3903   0.108283  
1 1 1 6  2  21 o 5.93324  0.0819549 35.2076      0.972516 37.2761      1.40177  33.2881      1.35036  6.10468  0.114811  5.76886  0.117039  
1 1 1 6  2  22 o 6.82033  0.0847093 46.5238      1.15549  45.0527      1.61735  48.0576      1.6514   6.71111  0.120498  6.93133  0.119126  
1 1 1 6  2  23 o 20.1725  0.154499  407.153      6.23328  410.082      8.86843  404.293      8.7629   20.2393  0.219089  20.0961  0.218025  
1 1 1 6  2  24 o 4.45995  0.129369  19.9002      1.15396  17.8464      1.60216  22.1141      1.66345  4.22243  0.18972   4.70056  0.176942  
1 1 1 6  2  25 o 3.00596  0.215688  9.04934      1.2967   9.19397      1.78188  8.88653      1.89057  3.02793  0.294241  2.97618  0.317616  
1 1 1 6  2  26 o 3.96692  0.144175  15.7509      1.14386  15.8504      1.6105   15.6495      1.62493  3.97762  0.202445  3.95222  0.205572  
1 1 1 6  2  27 o 11.2152  0.108411  125.863      2.4317   125.986      3.48252  125.745      3.39695  11.2169  0.155236  11.2065  0.151561  
1 1 1 6  2  28 o 1.85235  0.266458  3.448        0.987148 3.94541      1.39079  2.943        1.40135  1.94559  0.370746  1.67265  0.419317  
1 1 1 6  2  29 o 1.07427  0.368047  1.07074      0.953069 2.29114      1.35751  -0.11551     1.33838  1.48554  0.431458  0.924009 0.398322  
1 1 1 6  2  30 o 1.15376  0.36638   1.33141      0.948312 1.26698      1.34179  1.3957       1.34044  1.20879  0.434448  1.23969  0.435352  
1 1 1 6  2  31 o 3.28138  0.152566  10.8034      1.00126  11.6447      1.42977  9.99372      1.4026   3.40163  0.21016   3.15006  0.222631  
1 1 1 6  2  32 o 5.59101  0.105364  31.3205      1.17818  30.9216      1.66007  31.7254      1.67241  5.54973  0.149563  5.62152  0.148751  
1 1 1 6  2  33 o 1.60778  0.303179  2.71638      0.93922  3.74127      1.33639  1.71609      1.32027  1.87789  0.368973  1.30964  0.433184  
1 1 1 6  2  34 o 1.26997  0.349377  1.71632      0.914756 1.97903      1.29168  1.45199      1.29565  1.37283  0.4262    1.23094  0.428421  
1 1 1 6  2  35 o 2.4222   0.221057  5.95508      1.07089  7.91839      1.54807  4.15345      1.48296  2.78102  0.278328  1.96153  0.391873  
1 1 1 6  2  36 o 3.50048  0.169027  12.3793      1.18335  12.3313      1.71292  12.4231      1.6367   3.47355  0.246567  3.49005  0.234481  
1 1 1 6  2  37 o 1.35553  0.377695  2.0028       1.06157  2.35844      1.51738  1.66185      1.4857   1.46911  0.463115  1.29379  0.457931  
1 1 1 6  2  38 o 1.63936  0.337939  2.93295      1.07014  3.276        1.53691  2.6101       1.49096  1.69514  0.446922  1.51967  0.455151  
1 1 1 6  2  39 o 1.83366  0.280829  3.51941      1.02989  3.6508       1.4595   3.3891       1.45349  1.79046  0.415284  1.71961  0.424603  
1 1 1 6  2  40 o 1.86506  0.276859  3.667        1.03272  3.03158      1.46359  4.29706      1.4574   1.60453  0.442155  1.94627  0.388157  
1 1 1 6  2  41 o 0.851195 0.357562  0.286949     1.03143  -0.115951    1.4535   0.695629     1.46389  0.908436 0.402442  1.04367  0.43141   
1 1 1 6  2  42 o 1.28234  0.376045  1.93089      1.02639  0.25614      1.43942  3.66319      1.46395  0.944818 0.410256  1.73609  0.424566  
1 1 1 6  2  43 o 1.01421  0.372983  1.11411      0.993942 1.59158      1.40063  0.629743     1.41072  1.16828  0.440269  0.978191 0.414876  
1 1 1 6  2  44 o 0.780468 0.336954  0.23844      0.960517 0.638247     1.35883  -0.16084     1.35793  0.942514 0.403689  0.822402 0.37435   
1 1 1 6  2  45 o 0.939244 0.377179  0.965116     1.08145  1.01508      1.51961  0.913845     1.53938  0.995972 0.426755  0.982272 0.425356  
1 1 1 6  2  46 o 1.1052   0.415428  1.93647      1.24546  2.04747      1.7294   1.81687      1.79515  1.0872   0.460142  1.05075  0.457233  
1 1 1 6  2  47 o 0.672532 0.336266  -2.08334     1.92032  -1.75534     2.68955  -2.42444     2.7427   0.770112 0.387516  0.752724 0.380252  
1 1 1 6  2  48 o 0.915305 0.460557  3.80417      3.74941  -0.333313    5.13794  8.51761      5.4839   ?        ?         ?        ?         
1 1 1 6  3  0  o 12.9804  0.160442  168.598      4.16378  168.598      4.16378  168.598      4.16378  12.9825  0.113412  ?        ?         
1 1 1 6  3  1  o 11.2556  0.0824677 126.701      1.85645  127.97       2.65061  125.479      2.60093  11.3113  0.117166  11.2007  0.116106  
1 1 1 6  3  2  o 26.0463  0.184312  678.744      9.6013   680.352      13.608   677.149      13.5487  26.0702  0.260988  26.0089  0.260463  
1 1 1 6  3  3  o 6.81875  0.0501996 46.4972      0.684597 46.3013      0.943442 46.715       0.994941 6.80424  0.0693274 6.83455  0.0727876 
1 1 1 6  3  4  o 18.1391  0.120733  329.107      4.37998  330.865      6.22348  327.381      6.16537  18.1851  0.171115  18.0891  0.170416  
1 1 1 6  3  5  o 14.6087  0.0989609 213.451      2.89137  212.225      4.01903  214.767      4.1628   14.5654  0.137965  14.6522  0.142054  
1 1 1 6  3  6  o 25.4547  0.172166  648.321      8.76486  645.725      12.3467  650.958      12.4446  25.3961  0.243083  25.4987  0.244024  
1 1 1 6  3  7  o 4.87632  0.0515953 23.7799      0.503191 23.7928      0.721647 23.7676      0.701998 4.8775   0.0739771 4.87493  0.0720007 
1 1 1 6  3  8  o 7.18236  0.0558842 51.59        0.802762 52.6358      1.15378  50.6086      1.11764  7.25454  0.079521  7.11347  0.0785579 
1 1 1 6  3  9  o 17.1904  0.115432  295.603      3.96863  298.39       5.66261  292.913      5.56368  17.2684  0.163959  17.1093  0.162592  
1 1 1 6  3  10 o 39.8576  0.269465  1591.49      21.4804  1588.57      31.0101  1594.18      29.7829  39.7815  0.389756  39.8578  0.373615  
1 1 1 6  3  11 o 10.542   0.0892166 111.156      1.88104  111.838      2.68071  110.494      2.64014  10.5731  0.12677   10.5095  0.125607  
1 1 1 6  3  12 o 10.0653  0.0829291 101.329      1.66941  101.376      2.364    101.283      2.35782  10.0667  0.117417  10.0621  0.117164  
1 1 1 6  3  13 o 5.88827  0.0771899 34.6775      0.90903  34.3068      1.32322  35.0088      1.25094  5.85615  0.112977  5.9159   0.105727  
1 1 1 6  3  14 f 18.1961  0.13381   331.255      4.86964  335.18       6.87458  327.302      6.89891  18.2994  0.187836  18.0828  0.190759  
1 1 1 6  3  15 o 7.21718  0.0702299 52.094       1.01372  52.7578      1.4083   51.3803      1.46037  7.26261  0.0969552 7.16709  0.10188   
1 1 1 6  3  16 o 4.09305  0.0721552 16.7551      0.590669 16.1119      0.829572 17.4164      0.841215 4.01346  0.103349  4.17279  0.100798  
1 1 1 6  3  17 o 8.40992  0.0733239 70.7337      1.2333   71.5042      1.7365   69.9495      1.7519   8.45519  0.102688  8.36273  0.104744  
1 1 1 6  3  18 o 7.38699  0.0731024 54.572       1.08001  55.3853      1.53836  53.7815      1.51662  7.44152  0.103363  7.33299  0.103411  
1 1 1 6  3  19 o 11.3923  0.0907688 129.8        2.06813  131.536      2.98264  128.193      2.87016  11.4674  0.130048  11.3209  0.126764  
1 1 1 6  3  20 o 16.3627  0.116654  267.793      3.81754  270.642      5.50605  265.155      5.29761  16.4476  0.167381  16.2802  0.162701  
1 1 1 6  3  21 o 13.2897  0.0994224 176.648      2.64259  177.648      3.75759  175.669      3.7171   13.326   0.140987  13.2516  0.140251  
1 1 1 6  3  22 o 8.24462  0.0849357 67.984       1.40053  70.0195      1.98638  65.9718      1.97495  8.36653  0.11871   8.12104  0.121595  
1 1 1 6  3  23 o 4.55342  0.122258  20.7408      1.11339  19.3171      1.57132  22.1764      1.57784  4.39348  0.178824  4.70765  0.167582  
1 1 1 6  3  24 o 9.63333  0.0977028 92.8252      1.88241  91.3822      2.66862  94.2543      2.65568  9.55684  0.139618  9.70597  0.136807  
1 1 1 6  3  25 o 7.69213  0.123408  59.1985      1.89853  57.6297      2.7706   60.5872      2.60675  7.58726  0.182582  7.78018  0.167525  
1 1 1 6  3  26 o 8.02306  0.100008  64.3983      1.60474  64.9205      2.24554  63.8532      2.29414  8.05378  0.139409  7.98709  0.143615  
1 1 1 6  3  27 o 5.8206   0.114772  33.9044      1.33609  34.8502      1.92625  33.0275      1.8548   5.89902  0.163269  5.74277  0.16149   
1 1 1 6  3  28 o 2.16344  0.226919  4.69735      0.981851 4.96728      1.39693  4.4338       1.38032  2.22097  0.314486  2.09763  0.329018  
1 1 1 6  3  29 o 5.58687  0.104784  31.2456      1.17083  31.2647      1.66244  31.2268      1.64925  5.58564  0.148814  5.58234  0.14772   
1 1 1 6  3  30 o 1.79085  0.26336   3.23303      0.943273 4.30298      1.34158  2.18695      1.32653  2.06163  0.325367  1.45137  0.428112  
1 1 1 6  3  31 o 3.9422   0.130852  15.5794      1.03169  15.4564      1.45774  15.7028      1.46031  3.92162  0.185859  3.95288  0.184715  
1 1 1 6  3  32 f 3.01044  0.159333  9.1037       0.959324 7.24446      1.33882  11.0656      1.37529  2.67663  0.250095  3.31377  0.207512  
1 1 1 6  3  33 o 1.1836   0.356348  1.45401      0.912312 1.3316       1.28681  1.57773      1.29362  1.20358  0.426162  1.26897  0.42879   
1 1 1 6  3  34 f 4.69485  0.118462  22.1219      1.11232  20.5108      1.55403  23.8144      1.59281  4.51165  0.172224  4.8632   0.163762  
1 1 1 6  3  35 o 2.68437  0.199902  7.2949       1.07322  7.90063      1.535    6.71564      1.50108  2.77807  0.276272  2.55748  0.293469  
1 1 1 6  3  36 o 5.13988  0.134688  26.5906      1.38456  28.0161      2.03816  25.369       1.88674  5.25737  0.193838  5.00467  0.188498  
1 1 1 6  3  37 o 1.21082  0.384558  1.54689      1.04472  2.44335      1.54299  0.788058     1.41962  1.49183  0.466359  1.0889   0.434131  
1 1 1 6  3  38 o 5.31848  0.125956  28.5138      1.33979  26.9893      1.87823  30.0931      1.9117   5.1519   0.182285  5.44333  0.1756    
1 1 1 6  3  39 o 1.17247  0.383918  1.47604      1.03704  3.32584      1.46805  -0.366432    1.46514  1.70027  0.430958  0.890028 0.39853   
1 1 1 6  3  40 o 1.05295  0.376501  1.114        1.00658  0.347347     1.41515  1.89905      1.43204  0.9762   0.41484   1.30583  0.450798  
1 1 1 6  3  41 o 0.746163 0.332804  -0.23542     1.01285  -0.378965    1.43324  -0.0922199   1.43152  0.864732 0.390373  0.905008 0.400351  
1 1 1 6  3  42 f 1.74078  0.311255  3.39835      1.04454  2.66573      1.47433  4.1367       1.48009  1.46287  0.455577  1.85785  0.409359  
1 1 1 6  3  43 o 1.28429  0.373247  2.00219      1.01559  0.98507      1.43017  3.03685      1.44245  1.0454   0.428428  1.53056  0.444822  
1 1 1 6  3  44 o 1.04459  0.369343  1.31197      0.966249 2.41406      1.37161  0.226217     1.36141  1.32766  0.441527  0.8762   0.388655  
1 1 1 6  3  45 o 1.73147  0.338527  3.72468      1.13049  2.34862      1.59327  5.11985      1.60429  1.24431  0.469386  1.92697  0.427551  
1 1 1 6  3  46 o 1.00796  0.406712  1.5143       1.26595  -0.101146    1.79289  3.12056      1.78778  0.834512 0.396421  1.26377  0.491796  
1 1 1 6  3  47 o 0.69651  0.345344  -1.28482     1.81292  1.00973      2.62993  -3.36246     2.50254  0.886981 0.435127  0.696542 0.353285  
1 1 1 6  3  48 o 0.850344 0.430346  1.83784      3.65265  2.95453      5.22083  0.767164     5.11215  ?        ?         ?        ?         
1 1 1 6  4  0  f 14.7841  0.161039  218.69       4.76037  218.69       4.76037  218.69       4.76037  14.7861  0.113841  ?        ?         
1 1 1 6  4  1  f 3.33877  0.0378874 11.1476      0.252995 10.7457      0.367048 11.5114      0.349196 3.27798  0.0559869 3.39278  0.0514616 
1 1 1 6  4  2  o 20.9548  0.156321  439.268      6.55134  441.597      9.57103  437.215      8.98656  21.0056  0.227821  20.902   0.214969  
1 1 1 6  4  3  o 22.7326  0.157502  516.982      7.16085  513.493      10.0618  520.562      10.1934  22.651   0.222106  22.8063  0.223478  
1 1 1 6  4  4  o 5.68535  0.0442836 32.3243      0.503536 32.3123      0.703306 32.337       0.721247 5.6842   0.061865  5.68635  0.0634191 
1 1 1 6  4  5  o 14.9933  0.104684  224.846      3.13911  225.318      4.25919  224.284      4.64456  15.0077  0.1419    14.9727  0.155101  
1 1 1 6  4  6  o 13.9065  0.0945211 193.425      2.62891  192.984      3.67125  193.889      3.76625  13.8894  0.13216   13.9218  0.135265  
1 1 1 6  4  7  o 17.0531  0.114084  290.889      3.89097  287.589      5.44379  294.336      5.56348  16.9537  0.160549  17.1513  0.162188  
1 1 1 6  4  8  o 31.3878  0.214619  986.22       13.4728  990.135      19.3392  982.529      18.78    31.4323  0.307633  31.313   0.299874  
1 1 1 6  4  9  o 3.48595  0.0516454 12.1526      0.360067 11.8744      0.497711 12.4582      0.521548 3.44571  0.0722219 3.52938  0.0738866 
1 1 1 6  4  10 o 21.1341  0.154574  446.916      6.53355  449.068      9.28155  444.802      9.19866  21.1784  0.219128  21.0777  0.218209  
1 1 1 6  4  11 o 3.71902  0.0596724 13.8324      0.443846 13.7737      0.651204 13.8833      0.606556 3.71092  0.0877416 3.72571  0.0814015 
1 1 1 6  4  12 o 9.21364  0.0861028 84.9082      1.58664  84.9243      2.28601  84.8933      2.20394  9.21351  0.124058  9.21196  0.119624  
1 1 1 6  4  13 o 22.3349  0.173054  499.266      7.73026  500.92       11.283   497.802      10.6123  22.3613  0.252288  22.2938  0.238011  
1 1 1 6  4  14 o 10.5992  0.0873902 112.365      1.85253  113.23       2.60476  111.481      2.63525  10.6389  0.122417  10.5563  0.124819  
1 1 1 6  4  15 o 8.66925  0.0755307 75.1663      1.30959  73.9096      1.78686  76.6248      1.92491  8.59592  0.103937  8.75226  0.109967  
1 1 1 6  4  16 o 3.37318  0.081664  11.3801      0.550934 12.1037      0.780979 10.6632      0.777311 3.47852  0.112257  3.26492  0.11904   
1 1 1 6  4  17 o 10.5866  0.0822115 112.09       1.74068  113.811      2.46377  110.375      2.45964  10.6669  0.115486  10.5047  0.117074  
1 1 1 6  4  18 o 3.71236  0.0856923 13.7831      0.63624  14.2317      0.906255 13.3471      0.893441 3.77208  0.120127  3.65296  0.12229   
1 1 1 6  4  19 o 8.38615  0.0766333 70.3336      1.28532  70.7481      1.80979  69.9118      1.82574  8.41045  0.107592  8.36057  0.109188  
1 1 1 6  4  20 o 7.01882  0.0781634 49.2685      1.09723  48.4762      1.52323  50.123       1.58187  6.96183  0.109399  7.07906  0.111729  
1 1 1 6  4  21 o 9.97104  0.086461  99.4356      1.72421  99.242       2.43202  99.6311      2.44483  9.96062  0.122082  9.98012  0.122485  
1 1 1 6  4  22 o 2.9603   0.139632  8.767        0.826706 7.97067      1.17773  9.54051      1.16074  2.82194  0.208674  3.08762  0.187966  
1 1 1 6  4  23 o 4.16072  0.13066   17.3185      1.08728  17.4565      1.54451  17.183       1.53088  4.17641  0.184909  4.14357  0.18473   
1 1 1 6  4  24 o 8.43166  0.0942604 71.1104      1.58954  73.7291      2.31218  68.7637      2.1888   8.58439  0.134674  8.29038  0.132008  
1 1 1 6  4  25 o 1.36262  0.405946  1.88801      1.18815  1.33714      1.62428  2.52203      1.74256  1.29571  0.476773  1.58729  0.495482  
1 1 1 6  4  26 o 4.7491   0.126376  22.5704      1.20035  20.9785      1.6603   24.3136      1.73742  4.57677  0.181383  4.92736  0.176304  
1 1 1 6  4  27 o 3.42068  0.159989  11.7181      1.09454  12.2092      1.56593  11.249       1.53051  3.48918  0.224398  3.34898  0.228504  
1 1 1 6  4  28 o 6.89158  0.0977169 47.5262      1.34685  46.6303      1.90764  48.4166      1.90184  6.82383  0.139778  6.95351  0.136754  
1 1 1 6  4  29 o 7.93939  0.0940491 63.0881      1.49338  62.3746      2.11762  63.7941      2.10636  7.89088  0.134181  7.98039  0.131971  
1 1 1 6  4  30 o 1.23029  0.359087  1.56581      0.938046 2.17824      1.33827  0.974296     1.31522  1.44952  0.430624  1.13245  0.426661  
1 1 1 6  4  31 o 4.75721  0.115319  22.675       1.0972   22.3723      1.55502  22.9751      1.54834  4.72052  0.164708  4.78403  0.161824  
1 1 1 6  4  32 o 3.42189  0.142836  11.7524      0.977537 12.7169      1.39015  10.8089      1.37487  3.55381  0.195586  3.27467  0.209925  
1 1 1 6  4  33 o 2.65868  0.176594  7.11511      0.939012 6.37573      1.32248  7.86687      1.33351  2.50682  0.263778  2.78814  0.23914   
1 1 1 6  4  34 o 3.17135  0.16166   10.1267      1.02536  9.52826      1.44634  10.7314      1.45384  3.06453  0.23598   3.2547   0.223346  
1 1 1 6  4  35 o 3.17259  0.16627   10.1522      1.05502  10.5271      1.50264  9.78777      1.48161  3.2171   0.23354   3.10086  0.238903  
1 1 1 6  4  36 o 3.39369  0.184307  11.6575      1.25096  11.8996      1.74728  11.4029      1.7918   3.40931  0.256252  3.33354  0.268754  
1 1 1 6  4  37 o 1.25686  0.381239  1.69488      1.04161  1.59095      1.47776  1.7975       1.46842  1.27592  0.456191  1.32408  0.456546  
1 1 1 6  4  38 o 1.26423  0.382029  1.7465       1.04726  1.04668      1.49292  2.42448      1.46944  1.14578  0.448687  1.4693   0.454267  
1 1 1 6  4  39 o 2.8966   0.18887   8.56981      1.09416  9.36871      1.55095  7.77823      1.54383  3.00112  0.258395  2.72388  0.283387  
1 1 1 6  4  40 o 0.756759 0.334319  -0.151598    0.993715 -0.117867    1.40715  -0.185155    1.40351  0.899387 0.397516  0.888092 0.394187  
1 1 1 6  4  41 o 1.11641  0.382959  1.34569      1.03206  2.62274      1.4647   0.0864605    1.45445  1.47993  0.452722  0.937183 0.409666  
1 1 1 6  4  42 o 1.64221  0.325281  3.06261      1.03037  2.65094      1.44524  3.48816      1.46938  1.45896  0.450397  1.68291  0.433901  
1 1 1 6  4  43 o 0.872386 0.357276  0.554118     0.993895 -1.41196     1.39953  2.55458      1.41171  0.712888 0.341936  1.40359  0.447156  
1 1 1 6  4  44 o 0.64604  0.301669  -0.563537    0.958856 -3.92107     1.36271  2.72891      1.34944  0.526729 0.266283  1.41268  0.435032  
1 1 1 6  4  45 o 0.98343  0.385087  1.15749      1.09964  1.00811      1.55219  1.30801      1.55809  0.99517  0.428979  1.04443  0.439136  
1 1 1 6  4  46 o 0.842521 0.37731   0.558539     1.31367  2.03162      1.91229  -0.75786     1.80773  1.0749   0.469804  0.782173 0.378213  
1 1 1 6  4  47 o 0.654371 0.327185  -2.04353     1.8054   2.01563      2.6802   -5.41523     2.44272  0.938678 0.455323  ?        ?         
1 1 1 6  4  48 f 0.883069 0.446458  3.66587      3.879    2.40384      5.43133  4.97977      5.54182  ?        ?         ?        ?         
1 1 1 6  5  0  o 10.8082  0.11873   116.873      2.56583  116.873      2.56583  116.873      2.56583  10.8095  0.0839337 ?        ?         
1 1 1 6  5  1  o 6.71736  0.0515531 45.1248      0.692601 45.7807      0.991274 44.4991      0.968108 6.76585  0.0732557 6.67048  0.0725666 
1 1 1 6  5  2  o 22.6334  0.164591  512.5        7.45053  514.827      10.581   510.211      10.4928  22.6795  0.233272  22.5777  0.232372  
1 1 1 6  5  3  o 5.00889  0.0417545 25.0897      0.418288 24.4519      0.59243  25.7238      0.59067  4.94473  0.0599051 5.07171  0.0582319 
1 1 1 6  5  4  o 14.112   0.0954496 199.181      2.69396  202.377      3.9092   196.291      3.71769  14.2234  0.137421  14.0081  0.132698  
1 1 1 6  5  5  o 14.4208  0.0986931 207.998      2.84646  204.571      3.8787   211.998      4.19034  14.3002  0.135617  14.5572  0.143927  
1 1 1 6  5  6  o 15.4444  0.104541  238.583      3.22915  237.297      4.49579  239.953      4.64109  15.401   0.145957  15.4868  0.14984   
1 1 1 6  5  7  o 16.5788  0.112205  274.933      3.72045  274.185      5.19279  275.723      5.33303  16.554   0.156844  16.6002  0.160632  
1 1 1 6  5  8  o 40.4372  0.273182  1637.98      22.0935  1632.58      31.8384  1642.99      30.6834  40.3322  0.394702  40.4662  0.379123  
1 1 1 6  5  9  o 17.5826  0.119235  309.256      4.19292  306.467      5.81918  312.267      6.04675  17.5003  0.166259  17.6648  0.171153  
1 1 1 6  5  10 o 16.0532  0.127416  257.811      4.09087  261.568      5.77876  254.037      5.79199  16.1665  0.178726  15.9319  0.181774  
1 1 1 6  5  11 o 12.1664  0.0888535 148.051      2.16205  146.672      3.03413  149.475      3.08162  12.1083  0.125291  12.2234  0.126054  
1 1 1 6  5  12 o 19.1094  0.165568  365.442      6.3278   360.959      9.00243  369.82       8.89624  18.9843  0.237102  19.2166  0.231473  
1 1 1 6  5  13 o 9.45284  0.0789821 89.3716      1.49321  88.4433      2.15504  90.2289      2.07091  9.40272  0.114596  9.49732  0.109026  
1 1 1 6  5  14 o 11.802   0.0949861 139.318      2.24204  142.962      3.27445  136.102      3.07627  11.9538  0.136963  11.6637  0.131874  
1 1 1 6  5  15 o 13.8795  0.108371  192.694      3.00825  194.918      4.23865  190.437      4.27014  13.9574  0.151842  13.7958  0.154762  
1 1 1 6  5  16 o 4.51477  0.0767739 20.3858      0.693233 20.0676      0.951335 20.7461      1.01226  4.47912  0.106197  4.55416  0.111136  
1 1 1 6  5  17 o 8.00037  0.0711012 64.0116      1.13767  63.4869      1.60086  64.5469      1.61709  7.96716  0.100466  8.03339  0.100648  
1 1 1 6  5  18 o 13.094   0.0959145 171.476      2.51181  171.324      3.54984  171.628      3.55463  13.0873  0.135622  13.0989  0.135684  
1 1 1 6  5  19 o 24.9188  0.167904  621.208      8.36797  622.855      11.8621  619.577      11.8063  24.9464  0.237752  24.8807  0.237258  
1 1 1 6  5  20 o 17.9954  0.125125  323.915      4.50337  321.824      6.33042  326.057      6.40774  17.935   0.176483  18.0525  0.177476  
1 1 1 6  5  21 o 8.16056  0.08137   66.6032      1.32805  66.3327      1.8743   66.8758      1.88202  8.14345  0.11508   8.17671  0.115084  
1 1 1 6  5  22 o 4.44333  0.102498  19.7476      0.91087  19.3722      1.28063  20.1321      1.29584  4.40039  0.145513  4.48588  0.144435  
1 1 1 6  5  23 o 1.55606  0.328355  2.52073      0.990084 1.87599      1.39752  3.17043      1.40287  1.38495  0.445275  1.74231  0.409129  
1 1 1 6  5  24 o 2.63317  0.188274  6.9405       0.991515 6.44414      1.41624  7.41767      1.3886   2.53573  0.279257  2.72103  0.25516   
1 1 1 6  5  25 o 6.04663  0.117521  36.5792      1.42121  37.7019      1.9997   35.4334      2.02025  6.13736  0.162912  5.94962  0.16978   
1 1 1 6  5  26 o 3.72649  0.156561  13.9025      1.16685  14.5178      1.64389  13.2778      1.65652  3.80607  0.215957  3.63946  0.227578  
1 1 1 6  5  27 o 6.23469  0.105132  38.8962      1.31093  39.8899      1.87748  37.9508      1.83125  6.3118   0.148728  6.15648  0.148725  
1 1 1 6  5  28 o 4.10877  0.128587  16.9023      1.05666  20.3213      1.53099  13.7921      1.46022  4.50312  0.169992  3.70849  0.196875  
1 1 1 6  5  29 o 3.66721  0.135855  13.4733      0.996419 14.9813      1.43016  12.0508      1.38904  3.86398  0.185063  3.46451  0.200467  
1 1 1 6  5  30 o 2.67966  0.178435  7.20814      0.956288 9.31966      1.37296  5.21854      1.33273  3.04346  0.225558  2.27262  0.293215  
1 1 1 6  5  31 o 3.29686  0.14724   10.9041      0.970858 10.297       1.38143  11.4967      1.36472  3.19778  0.215999  3.38041  0.201857  
1 1 1 6  5  32 o 0.728248 0.319312  -0.194719    0.889228 -0.0751896   1.25915  -0.313646    1.25597  0.896232 0.386351  0.855873 0.37727   
1 1 1 6  5  33 o 3.37193  0.143838  11.4201      0.970024 10.329       1.37412  12.504       1.36953  3.19827  0.214823  3.52203  0.194424  
1 1 1 6  5  34 f 2.55333  0.196103  6.58674      1.00143  6.80676      1.4066   6.36059      1.42608  2.58363  0.272214  2.49506  0.285781  
1 1 1 6  5  35 o 2.21257  0.218255  4.96906      0.96581  3.76851      1.35347  6.21459      1.3786   1.87016  0.375081  2.46238  0.279931  
1 1 1 6  5  36 o 3.69029  0.174243  13.7663      1.28601  13.043       1.78609  14.545       1.85316  3.57137  0.250057  3.77287  0.245589  
1 1 1 6  5  37 o 0.793949 0.34545   -0.0917839   1.0245   -0.469168    1.44872  0.285748     1.44901  0.884559 0.396181  1.0021   0.422511  
1 1 1 6  5  38 o 1.32126  0.377032  1.92783      1.04561  1.77354      1.49212  2.0767       1.46567  1.30586  0.459252  1.37865  0.456414  
1 1 1 6  5  39 o 3.99078  0.149357  16.1411      1.19211  15.9689      1.68268  16.3147      1.68912  3.94192  0.213434  3.98513  0.211928  
1 1 1 6  5  40 o 0.81015  0.346869  0.120168     1.00259  0.565559     1.41389  -0.330283    1.4219   1.01311  0.421692  0.871946 0.391464  
1 1 1 6  5  41 f 1.25529  0.376379  1.80142      1.01917  1.86055      1.43849  1.74183      1.44418  1.28308  0.450954  1.25584  0.450782  
1 1 1 6  5  42 o 0.768401 0.338804  -0.0479622   1.01385  0.928456     1.42973  -1.03558     1.43791  1.05538  0.429746  0.772358 0.362644  
1 1 1 6  5  43 o 0.769497 0.335296  0.0982016    0.967885 -0.00908971  1.3691   0.205399     1.3685   0.86587  0.386542  0.898241 0.39497   
1 1 1 6  5  44 o 1.23131  0.378002  1.93924      1.01989  2.04229      1.44433  1.83675      1.44037  1.22506  0.449705  1.1787   0.445807  
1 1 1 6  5  45 o 1.63719  0.362462  3.45909      1.15532  5.29202      1.61865  1.55556      1.64953  1.95426  0.425956  1.08591  0.453956  
1 1 1 6  5  46 o 0.780492 0.360176  0.0984746    1.31619  -0.781982    1.83849  1.02418      1.88514  0.784343 0.379634  0.951808 0.435876  
1 1 1 6  5  47 o 0.849245 0.398615  0.956536     1.73219  3.28591      2.45192  -1.3644      2.44747  1.03585  0.483188  0.758377 0.379188  
1 1 1 6  5  48 o ?        ?         -2.30884     2.77165  -1.16732     3.7978   -3.60967     4.05417  ?        ?         ?        ?         
1 1 1 6  6  0  o 38.7447  0.564034  1506.06      43.6858  1506.06      43.6858  1506.06      43.6858  38.7758  0.398417  ?        ?         
1 1 1 6  6  1  o 3.23447  0.0543309 10.4709      0.35124  10.4709      0.35124  10.4709      0.35124  3.23518  0.0383971 ?        ?         
1 1 1 6  6  2  o 1.96703  0.0611416 3.88054      0.240009 3.88054      0.240009 3.88054      0.240009 1.96848  0.0431542 ?        ?         
1 1 1 6  6  3  o 8.55608  0.0999832 73.243       1.7104   73.243       1.7104   73.243       1.7104   8.55714  0.0706791 ?        ?         
1 1 1 6  6  4  o 11.1054  0.106392  123.378      2.36258  123.378      2.36258  123.378      2.36258  11.1065  0.0752159 ?        ?         
1 1 1 6  6  5  o 23.8799  0.233868  570.726      11.1671  570.726      11.1671  570.726      11.1671  23.8848  0.165318  ?        ?         
1 1 1 6  6  6  f 11.4274  0.110488  130.639      2.52465  130.639      2.52465  130.639      2.52465  11.4286  0.0781108 ?        ?         
1 1 1 6  6  7  o 17.5909  0.166387  309.619      5.85264  309.619      5.85264  309.619      5.85264  17.5935  0.117625  ?        ?         
1 1 1 6  6  8  o 23.5947  0.231636  557.221      10.9284  557.221      10.9284  557.221      10.9284  23.6001  0.163737  ?        ?         
1 1 1 6  6  9  o 9.77438  0.100826  95.5809      1.97055  95.5809      1.97055  95.5809      1.97055  9.77546  0.0712783 ?        ?         
1 1 1 6  6  10 o 12.9671  0.145436  168.254      3.77069  168.254      3.77069  168.254      3.77069  12.9692  0.102808  ?        ?         
1 1 1 6  6  11 o 17.8063  0.181568  317.302      6.4646   317.302      6.4646   317.302      6.4646   17.8096  0.128349  ?        ?         
1 1 1 6  6  12 o 4.94799  0.100357  24.5162      0.992209 24.5162      0.992209 24.5162      0.992209 4.94969  0.0709057 ?        ?         
1 1 1 6  6  13 o 9.61962  0.131218  92.6105      2.52349  92.6105      2.52349  92.6105      2.52349  9.62153  0.0927476 ?        ?         
1 1 1 6  6  14 o 0.789211 0.375436  0.918672     0.670956 0.918672     0.670956 0.918672     0.670956 0.825397 0.309207  ?        ?         
1 1 1 6  6  15 o 19.5665  0.20055   383.152      7.84627  383.152      7.84627  383.152      7.84627  19.5703  0.141766  ?        ?         
1 1 1 6  6  16 o 10.5389  0.119216  111.129      2.5121   111.129      2.5121   111.129      2.5121   10.5403  0.0842751 ?        ?         
1 1 1 6  6  17 o 12.2856  0.131063  151.008      3.21953  151.008      3.21953  151.008      3.21953  12.287   0.0926522 ?        ?         
1 1 1 6  6  18 o 23.5633  0.225552  555.587      10.6273  555.587      10.6273  555.587      10.6273  23.567   0.159447  ?        ?         
1 1 1 6  6  19 o 2.27952  0.199706  5.31638      0.894391 5.31638      0.894391 5.31638      0.894391 2.29299  0.139077  ?        ?         
1 1 1 6  6  20 o 10.9826  0.123427  120.679      2.71034  120.679      2.71034  120.679      2.71034  10.984   0.0872531 ?        ?         
1 1 1 6  6  21 o 5.8388   0.116697  34.137       1.36151  34.137       1.36151  34.137       1.36151  5.84075  0.0824523 ?        ?         
1 1 1 6  6  22 o 1.51296  0.446497  2.81594      1.17302  2.81594      1.17302  2.81594      1.17302  1.60716  0.284748  ?        ?         
1 1 1 6  6  23 o 3.23707  0.234741  10.6498      1.50138  10.6498      1.50138  10.6498      1.50138  3.25049  0.164261  ?        ?         
1 1 1 6  6  24 o 4.24699  0.184731  18.1478      1.56235  18.1478      1.56235  18.1478      1.56235  4.25355  0.130138  ?        ?         
1 1 1 6  6  25 o 0.683014 0.453228  -0.277418    1.56654  -0.277418    1.56654  -0.277418    1.56654  0.562165 0.375279  ?        ?         
1 1 1 6  6  26 o 0.510345 0.366227  -2.09446     1.58077  -2.09446     1.58077  -2.09446     1.58077  0.385229 0.280998  ?        ?         
1 1 1 6  6  27 o 5.08257  0.162857  25.9321      1.65161  25.9321      1.65161  25.9321      1.65161  5.08748  0.114911  ?        ?         
1 1 1 6  6  28 o 4.71177  0.164919  22.3047      1.5498   22.3047      1.5498   22.3047      1.5498   4.71729  0.116315  ?        ?         
1 1 1 6  6  29 o 2.9622   0.22919   8.95436      1.33912  8.95436      1.33912  8.95436      1.33912  2.97763  0.16006   ?        ?         
1 1 1 6  6  30 o 4.12119  0.175847  17.1089      1.4434   17.1089      1.4434   17.1089      1.4434   4.12878  0.123852  ?        ?         
1 1 1 6  6  31 o 1.60287  0.463453  3.16698      1.28753  3.16698      1.28753  3.16698      1.28753  1.70473  0.293015  ?        ?         
1 1 1 6  6  32 o 4.98357  0.153992  24.9615      1.53154  24.9615      1.53154  24.9615      1.53154  4.98988  0.108633  ?        ?         
1 1 1 6  6  33 o 5.46352  0.147622  29.9857      1.61041  29.9857      1.61041  29.9857      1.61041  5.46976  0.104179  ?        ?         
1 1 1 6  6  34 o 2.88245  0.260554  8.58471      1.47384  8.58471      1.47384  8.58471      1.47384  2.90692  0.180861  ?        ?         
1 1 1 6  6  35 o 0.988016 0.50947   1.50015      1.2762   1.50015      1.2762   1.50015      1.2762   1.01419  0.436486  ?        ?         
1 1 1 6  6  36 o 1.77965  0.544414  4.06626      1.68939  4.06626      1.68939  4.06626      1.68939  1.91378  0.345925  ?        ?         
1 1 1 6  6  37 o 2.63048  0.290352  7.28041      1.48507  7.28041      1.48507  7.28041      1.48507  2.66557  0.199546  ?        ?         
1 1 1 6  6  38 o 1.61216  0.51943   3.43548      1.4738   3.43548      1.4738   3.43548      1.4738   1.74632  0.334273  ?        ?         
1 1 1 6  6  39 o 4.77795  0.191295  23.1913      1.82134  23.1913      1.82134  23.1913      1.82134  4.79685  0.134481  ?        ?         
1 1 1 6  6  40 o 0.760283 0.474505  0.596837     1.4305   0.596837     1.4305   0.596837     1.4305   0.690017 0.415075  ?        ?         
1 1 1 6  6  41 o 0.545    0.379776  -0.958324    1.42075  -0.958324    1.42075  -0.958324    1.42075  0.432537 0.306182  ?        ?         
1 1 1 6  6  42 o 1.04429  0.546088  1.88423      1.47999  1.88423      1.47999  1.88423      1.47999  1.10757  0.469295  ?        ?         
1 1 1 6  6  43 o 0.974067 0.529186  1.67971      1.4323   1.67971      1.4323   1.67971      1.4323   1.02078  0.462889  ?        ?         
1 1 1 6  6  44 o 1.98674  0.425534  4.90581      1.48395  4.90581      1.48395  4.90581      1.48395  2.11678  0.256357  ?        ?         
1 1 1 6  6  45 o 0.628066 0.424348  -0.015661    1.50277  -0.015661    1.50277  -0.015661    1.50277  0.545039 0.364779  ?        ?         
1 1 1 6  6  46 o 0.659163 0.455573  0.0102952    1.90628  0.0102952    1.90628  0.0102952    1.90628  0.585806 0.39801   ?        ?         
1 1 1 6  6  47 o 0.532781 0.392082  -2.5791      2.41472  -2.5791      2.41472  -2.5791      2.41472  0.441132 0.325449  ?        ?         
1 1 1 6  6  48 o 0.771195 0.553519  3.19637      3.61573  3.19637      3.61573  3.19637      3.61573  0.833439 0.560134  ?        ?         
1 1 1 7  0  0  o 19.9389  0.275719  397.974      10.9903  397.974      10.9903  397.974      10.9903  19.944   0.19487   ?        ?         
1 1 1 7  0  1  o 27.9469  0.272509  781.62       15.2283  781.62       15.2283  781.62       15.2283  27.9521  0.192636  ?        ?         
1 1 1 7  0  2  o 15.1695  0.156329  230.224      4.74171  230.224      4.74171  230.224      4.74171  15.1713  0.110515  ?        ?         
1 1 1 7  0  3  o 11.146   0.105919  124.278      2.36067  124.278      2.36067  124.278      2.36067  11.147   0.0748817 ?        ?         
1 1 1 7  0  4  o 11.1259  0.106173  123.831      2.36205  123.831      2.36205  123.831      2.36205  11.1269  0.075061  ?        ?         
1 1 1 7  0  5  o 1.67048  0.077231  2.8085       0.256769 2.8085       0.256769 2.8085       0.256769 1.67319  0.0543868 ?        ?         
1 1 1 7  0  6  o 6.89527  0.0982291 47.5781      1.35401  47.5781      1.35401  47.5781      1.35401  6.89648  0.0694304 ?        ?         
1 1 1 7  0  7  o 21.5241  0.206797  463.62       8.9004   463.62       8.9004   463.62       8.9004   21.5279  0.146187  ?        ?         
1 1 1 7  0  8  o 43.9095  0.419415  1932.3       36.8251  1932.3       36.8251  1932.3       36.8251  43.9335  0.296379  ?        ?         
1 1 1 7  0  9  o 15.8139  0.157479  250.225      4.97958  250.225      4.97958  250.225      4.97958  15.8162  0.111325  ?        ?         
1 1 1 7  0  10 o 22.7983  0.21488   520.198      9.79586  520.198      9.79586  520.198      9.79586  22.8031  0.151896  ?        ?         
1 1 1 7  0  11 o 11.2007  0.13663   125.542      3.05968  125.542      3.05968  125.542      3.05968  11.2026  0.0965793 ?        ?         
1 1 1 7  0  12 o 16.0952  0.15494   259.212      4.98655  259.212      4.98655  259.212      4.98655  16.0977  0.109531  ?        ?         
1 1 1 7  0  13 o 0.860826 0.395674  1.08383      0.741172 1.08383      0.741172 1.08383      0.741172 0.908885 0.318797  ?        ?         
1 1 1 7  0  14 o 16.0268  0.162856  257.027      5.2189   257.027      5.2189   257.027      5.2189   16.0294  0.115124  ?        ?         
1 1 1 7  0  15 o 0.484372 0.315289  -0.0171012   0.713853 -0.0171012   0.713853 -0.0171012   0.713853 0.406118 0.264663  ?        ?         
1 1 1 7  0  16 o 10.48    0.115659  109.887      2.42353  109.887      2.42353  109.887      2.42353  10.4813  0.0817612 ?        ?         
1 1 1 7  0  17 o 12.6429  0.133066  159.922      3.36382  159.922      3.36382  159.922      3.36382  12.6444  0.0940682 ?        ?         
1 1 1 7  0  18 o 7.91154  0.103411  62.6298      1.63566  62.6298      1.63566  62.6298      1.63566  7.91272  0.0730979 ?        ?         
1 1 1 7  0  19 o 26.0426  0.247738  678.706      12.9008  678.706      12.9008  678.706      12.9008  26.0472  0.175128  ?        ?         
1 1 1 7  0  20 o 8.04638  0.127304  64.8008      2.04752  64.8008      2.04752  64.8008      2.04752  8.04813  0.0899724 ?        ?         
1 1 1 7  0  21 o 3.35495  0.15984   11.3347      1.06696  11.3347      1.06696  11.3347      1.06696  3.36087  0.112527  ?        ?         
1 1 1 7  0  22 o 8.15574  0.118927  66.5684      1.93895  66.5684      1.93895  66.5684      1.93895  8.15734  0.0840577 ?        ?         
1 1 1 7  0  23 o 11.5903  0.148235  134.434      3.43491  134.434      3.43491  134.434      3.43491  11.5924  0.104779  ?        ?         
1 1 1 7  0  24 o 4.33125  0.205179  18.8962      1.76827  18.8962      1.76827  18.8962      1.76827  4.33917  0.144441  ?        ?         
1 1 1 7  0  25 o 14.1167  0.18951   199.503      5.34832  199.503      5.34832  199.503      5.34832  14.1206  0.133939  ?        ?         
1 1 1 7  0  26 o 6.16371  0.160413  38.0899      1.97446  38.0899      1.97446  38.0899      1.97446  6.1677   0.113269  ?        ?         
1 1 1 7  0  27 o 9.17523  0.149527  84.3037      2.74225  84.3037      2.74225  84.3037      2.74225  9.17848  0.105662  ?        ?         
1 1 1 7  0  28 o 14.928   0.163573  223.131      4.88234  223.131      4.88234  223.131      4.88234  14.9327  0.115612  ?        ?         
1 1 1 7  0  29 o 5.71658  0.148124  32.7781      1.69096  32.7781      1.69096  32.7781      1.69096  5.72091  0.104581  ?        ?         
1 1 1 7  0  30 o 0.754004 0.46626   0.485799     1.35354  0.485799     1.35354  0.485799     1.35354  0.670587 0.403559  ?        ?         
1 1 1 7  0  31 o 3.46094  0.205162  12.1394      1.40868  12.1394      1.40868  12.1394      1.40868  3.47268  0.143981  ?        ?         
1 1 1 7  0  32 f 3.97685  0.184439  15.9639      1.45978  15.9639      1.45978  15.9639      1.45978  3.98622  0.129785  ?        ?         
1 1 1 7  0  33 o 2.93683  0.238496  8.84385      1.37959  8.84385      1.37959  8.84385      1.37959  2.95579  0.16622   ?        ?         
1 1 1 7  0  34 o 4.48053  0.172647  20.2403      1.54188  20.2403      1.54188  20.2403      1.54188  4.48979  0.121619  ?        ?         
1 1 1 7  0  35 o 3.73925  0.234285  14.2615      1.73634  14.2615      1.73634  14.2615      1.73634  3.75807  0.164063  ?        ?         
1 1 1 7  0  36 o 1.44617  0.555575  2.95202      1.51297  2.95202      1.51297  2.95202      1.51297  1.57553  0.392841  ?        ?         
1 1 1 7  0  37 o 5.33469  0.17558   28.7255      1.86874  28.7255      1.86874  28.7255      1.86874  5.34715  0.12371   ?        ?         
1 1 1 7  0  38 o 0.754055 0.473013  0.485725     1.44417  0.485725     1.44417  0.485725     1.44417  0.671811 0.410174  ?        ?         
1 1 1 7  0  39 o 0.663591 0.436385  -0.00290916  1.40956  -0.00290916  1.40956  -0.00290916  1.40956  0.563269 0.369024  ?        ?         
1 1 1 7  0  40 o 0.500921 0.356953  -1.52219     1.43017  -1.52219     1.43017  -1.52219     1.43017  0.386628 0.279856  ?        ?         
1 1 1 7  0  41 f 3.42181  0.237002  12.1268      1.60409  12.1268      1.60409  12.1268      1.60409  3.45252  0.165126  ?        ?         
1 1 1 7  0  42 o 0.836268 0.497658  1.03549      1.42806  1.03549      1.42806  1.03549      1.42806  0.804449 0.442233  ?        ?         
1 1 1 7  0  43 o 0.572216 0.393483  -0.524797    1.39227  -0.524797    1.39227  -0.524797    1.39227  0.469137 0.325286  ?        ?         
1 1 1 7  0  44 o 0.618664 0.413433  -0.00531125  1.35289  -0.00531125  1.35289  -0.00531125  1.35289  0.532098 0.353499  ?        ?         
1 1 1 7  0  45 o 0.873413 0.51233   1.4461       1.47813  1.4461       1.47813  1.4461       1.47813  0.896116 0.461287  ?        ?         
1 1 1 7  0  46 o 0.564706 0.400134  -0.849473    1.7271   -0.849473    1.7271   -0.849473    1.7271   0.471354 0.334555  ?        ?         
1 1 1 7  0  47 o 0.627964 0.454538  -0.998306    2.66728  -0.998306    2.66728  -0.998306    2.66728  0.55159  0.396774  ?        ?         
1 1 1 7  0  48 o ?        ?         -8.75491     5.32684  -8.75491     5.32684  -8.75491     5.32684  ?        ?         ?        ?         
1 1 1 7  1  0  f 29.5179  0.29445   872.06       17.3792  872.06       17.3792  872.06       17.3792  29.5241  0.20814   ?        ?         
1 1 1 7  1  1  o 44.925   0.313273  2020.91      28.1476  2017.75      40.2211  2023.94      39.4049  44.8573  0.448323  44.9286  0.438528  
1 1 1 7  1  2  o 25.7503  0.174043  663.363      8.96333  661.305      12.6472  665.439      12.7052  25.7045  0.24601   25.7847  0.24637   
1 1 1 7  1  3  o 4.08994  0.0412757 16.7281      0.33763  16.0394      0.457212 17.554       0.50071  4.00482  0.0570827 4.18963  0.0597558 
1 1 1 7  1  4  o 13.3246  0.0921439 177.57       2.45556  175.19       3.39154  180.192      3.55995  13.2341  0.128137  13.4215  0.132621  
1 1 1 7  1  5  o 14.1735  0.0948993 200.92       2.6901   199.799      3.78352  202.065      3.82558  14.1327  0.133857  14.2126  0.134584  
1 1 1 7  1  6  o 19.6517  0.132054  386.321      5.19018  389.722      7.48103  383.165      7.2067   19.7343  0.189543  19.568   0.184145  
1 1 1 7  1  7  o 25.9355  0.177471  673.091      9.20561  671.24       12.8426  675.046      13.2022  25.8914  0.248009  25.9639  0.254242  
1 1 1 7  1  8  o 13.122   0.090162  172.218      2.36621  171.127      3.29265  173.382      3.40271  13.0792  0.125874  13.165   0.129233  
1 1 1 7  1  9  f 14.7175  0.103019  216.66       3.03239  217.398      4.45137  216.02       4.14219  14.7404  0.150992  14.6942  0.140947  
1 1 1 7  1  10 o 16.7396  0.115313  280.306      3.8606   282.505      5.50106  278.172      5.41928  16.8023  0.1637    16.673   0.162516  
1 1 1 7  1  11 o 11.5102  0.100238  132.519      2.30752  133.253      3.22772  131.752      3.30015  11.5406  0.139842  11.4753  0.143794  
1 1 1 7  1  12 o 22.8297  0.155838  521.538      7.1155   518.952      10.0173  524.171      10.109   22.7657  0.220009  22.8797  0.220916  
1 1 1 7  1  13 o 9.31787  0.0965205 86.8453      1.79873  86.0411      2.52525  87.6735      2.56274  9.27343  0.136155  9.36096  0.136884  
1 1 1 7  1  14 o 18.294   0.12965   334.818      4.74362  332.637      6.66941  337.052      6.74825  18.2302  0.182922  18.3508  0.183868  
1 1 1 7  1  15 o 5.33407  0.0690719 28.4556      0.736869 29.4275      1.06311  27.557       1.02227  5.42406  0.0979995 5.24885  0.09738   
1 1 1 7  1  16 o 11.914   0.0892428 141.97       2.12648  141.483      2.9321   142.511      3.08859  11.8925  0.123275  11.9354  0.129388  
1 1 1 7  1  17 o 9.58995  0.07954   91.978       1.52557  95.2085      2.18504  88.9054      2.13094  9.75633  0.111981  9.42783  0.113013  
1 1 1 7  1  18 o 9.1302   0.0794803 83.3686      1.45134  82.8747      2.01891  83.8969      2.08784  9.10268  0.110896  9.1586   0.113983  
1 1 1 7  1  19 o 4.14043  0.087096  17.1451      0.72123  16.6796      1.02067  17.6093      1.01928  4.08359  0.124972  4.19588  0.121462  
1 1 1 7  1  20 o 18.8951  0.130968  357.116      4.94929  356.786      6.99903  357.446      6.99966  18.8838  0.185318  18.9012  0.185164  
1 1 1 7  1  21 o 7.31559  0.07895   53.524       1.15513  52.436       1.61845  54.6538      1.64919  7.24043  0.111765  7.39197  0.111553  
1 1 1 7  1  22 o 17.3649  0.123184  301.637      4.27817  301.58       6.05037  301.693      6.05014  17.3605  0.174256  17.3638  0.174217  
1 1 1 7  1  23 f 15.9214  0.127384  253.586      4.05626  253.584      5.73261  253.588      5.74024  15.9184  0.180063  15.9185  0.180301  
1 1 1 7  1  24 f 6.87659  0.102188  47.3009      1.40541  46.9883      1.98832  47.6131      1.98677  6.85283  0.145073  6.89827  0.144005  
1 1 1 7  1  25 o 7.81738  0.115781  61.1381      1.81021  60.4901      2.5212   61.8275      2.60071  7.77421  0.162151  7.85955  0.165449  
1 1 1 7  1  26 o 4.74094  0.127224  22.4927      1.20633  21.4055      1.70303  23.5875      1.70899  4.62308  0.184188  4.85332  0.176064  
1 1 1 7  1  27 o 1.66397  0.349758  2.89301      1.12711  2.52124      1.59826  3.26082      1.58971  1.57049  0.47142   1.76217  0.449543  
1 1 1 7  1  28 o 10.9425  0.0995091 119.82       2.17775  120.607      3.08922  119.043      3.07048  10.9745  0.140746  10.9031  0.140808  
1 1 1 7  1  29 o 6.98213  0.0967361 48.7929      1.35085  49.7288      1.91938  47.8744      1.90152  7.04575  0.136208  6.91302  0.137532  
1 1 1 7  1  30 o 3.34563  0.150173  11.2224      1.00484  10.2765      1.41458  12.1858      1.42763  3.19663  0.221262  3.48233  0.204983  
1 1 1 7  1  31 o 2.84659  0.169291  8.13646      0.963805 8.19279      1.37149  8.08151      1.35471  2.85039  0.24058   2.8311   0.239256  
1 1 1 7  1  32 o 3.0162   0.160916  9.13917      0.970713 8.34462      1.36363  9.95544      1.38215  2.87436  0.237206  3.14173  0.219966  
1 1 1 7  1  33 f 4.67429  0.116319  21.9107      1.08741  20.6705      1.52837  23.182       1.54748  4.53315  0.168577  4.80187  0.161133  
1 1 1 7  1  34 o 0.776464 0.330693  0.0307935    0.902815 0.0622611    1.27805  -0.00054914  1.2755   0.921765 0.393045  0.909784 0.390441  
1 1 1 7  1  35 o 3.12732  0.179659  9.87737      1.1237   8.25703      1.60499  11.4353      1.57377  2.83867  0.282702  3.3532   0.234667  
1 1 1 7  1  36 o 3.98599  0.153202  16.0222      1.22132  13.3931      1.64126  19.2846      1.82827  3.62618  0.226307  4.35682  0.209817  
1 1 1 7  1  37 o 3.28797  0.1715    10.9378      1.12778  10.3133      1.54686  11.6464      1.64775  3.17376  0.243696  3.37246  0.244294  
1 1 1 7  1  38 o 3.30814  0.16712   11.0986      1.10572  10.8282      1.56735  11.3664      1.56011  3.24306  0.241647  3.32543  0.234572  
1 1 1 7  1  39 o 0.870047 0.357674  0.371598     0.999881 0.278086     1.41069  0.466005     1.41742  0.973296 0.413913  1.00834  0.421121  
1 1 1 7  1  40 o 2.27202  0.232736  5.36079      1.05756  4.83836      1.48106  5.90427      1.51061  2.10935  0.351071  2.34512  0.322076  
1 1 1 7  1  41 o 2.58053  0.210761  6.89158      1.08775  7.37958      1.5384   6.40369      1.53822  2.62952  0.292525  2.43692  0.315607  
1 1 1 7  1  42 o 1.93568  0.268279  4.01564      1.0386   5.04037      1.47294  3.00233      1.46471  2.12201  0.347064  1.55495  0.447057  
1 1 1 7  1  43 o 0.651624 0.304991  -0.687456    0.988109 -2.58862     1.39377  1.23362      1.40105  0.619391 0.306058  1.09071  0.432401  
1 1 1 7  1  44 o 1.58401  0.322424  2.98549      0.985984 3.10047      1.39405  2.8704       1.39474  1.5107   0.43673   1.44708  0.441596  
1 1 1 7  1  45 o 1.32168  0.387928  2.35368      1.0918   2.3496       1.52058  2.35802      1.56863  1.25194  0.461242  1.2494   0.466892  
1 1 1 7  1  46 o 0.777604 0.353118  0.232595     1.19258  -0.877916    1.72641  1.2462       1.64936  0.760797 0.368176  0.970022 0.429343  
1 1 1 7  1  47 o 1.1307   0.491699  3.56427      2.07343  3.86134      2.71803  3.15077      3.20677  1.07002  0.501713  0.992195 0.485114  
1 1 1 7  1  48 o 0.789564 0.399395  -0.299117    3.13478  -2.44007     5.08303  1.01496      3.98226  ?        ?         ?        ?         
1 1 1 7  2  0  o 6.94336  0.0703944 48.2267      0.97732  48.2267      0.97732  48.2267      0.97732  6.94395  0.0497663 ?        ?         
1 1 1 7  2  1  f 28.9861  0.212358  840.731      12.3109  839.474      16.7575  842.205      18.1456  28.956   0.289362  29.0001  0.312855  
1 1 1 7  2  2  o 27.8325  0.201653  775.118      11.225   775.87       15.5103  774.29       16.2658  27.8379  0.278582  27.8079  0.292468  
1 1 1 7  2  3  o 18.8553  0.127813  355.616      4.81993  352.619      6.76161  358.713      6.87257  18.7732  0.180087  18.9346  0.181481  
1 1 1 7  2  4  o 15.2091  0.101467  231.359      3.08644  233.319      4.39972  229.459      4.33085  15.272   0.144045  15.1452  0.142978  
1 1 1 7  2  5  o 16.2187  0.111698  263.107      3.6232   262.819      5.06445  263.41       5.18564  16.208   0.156234  16.226   0.159794  
1 1 1 7  2  6  o 11.6211  0.0798367 135.068      1.85559  135.714      2.60795  134.405      2.64075  11.6482  0.111947  11.5918  0.113906  
1 1 1 7  2  7  o 30.9049  0.211098  956.012      13.0479  955.101      17.851   957.056      19.1192  30.877   0.289067  30.9046  0.309326  
1 1 1 7  2  8  o 14.3753  0.099269  206.696      2.85405  208.44       4.06713  205.004      4.00603  14.4342  0.140885  14.3148  0.139927  
1 1 1 7  2  9  o 10.5265  0.0754969 110.823      1.58944  111.933      2.3201   109.841      2.18187  10.5783  0.109663  10.4791  0.104106  
1 1 1 7  2  10 o 19.7303  0.133488  389.458      5.26752  385.652      7.46069  393.242      7.43816  19.6291  0.190041  19.8216  0.187628  
1 1 1 7  2  11 o 9.01915  0.0828355 81.3596      1.49421  81.6665      2.15273  81.0743      2.07565  9.03528  0.119129  9.00256  0.115281  
1 1 1 7  2  12 o 5.2491   0.0599734 27.5557      0.629612 26.2395      0.855788 29.1088      0.929597 5.12196  0.083541  5.39472  0.0861581 
1 1 1 7  2  13 o 3.93107  0.078667  15.456       0.618491 14.6         0.846746 16.435       0.905571 3.82034  0.110821  4.0533   0.111708  
1 1 1 7  2  14 o 5.19557  0.0684301 26.9972      0.711067 25.4547      1.04444  28.3299      0.970794 5.04455  0.103522  5.322    0.0912057 
1 1 1 7  2  15 o 2.95735  0.0905173 8.7477       0.535384 8.24859      0.749401 9.26799      0.765137 2.87143  0.130493  3.04374  0.12569   
1 1 1 7  2  16 f 11.2283  0.0854549 126.097      1.91903  127.932      2.6863   124.184      2.7424   11.3088  0.11877   11.1418  0.123068  
1 1 1 7  2  17 o 9.26036  0.0765385 85.7634      1.41755  87.2474      1.99842  84.2605      2.01107  9.33964  0.106986  9.17833  0.109556  
1 1 1 7  2  18 o 6.20969  0.0725001 38.5634      0.900407 39.098       1.27997  38.0396      1.26687  6.25234  0.102359  6.16712  0.102712  
1 1 1 7  2  19 o 15.0406  0.109574  226.26       3.29612  221.612      4.58326  231.24       4.74373  14.884   0.153966  15.2038  0.156005  
1 1 1 7  2  20 o 15.658   0.112587  245.219      3.52576  243.535      5.01418  246.866      4.95864  15.6025  0.160686  15.7089  0.157829  
1 1 1 7  2  21 o 12.5598  0.0957813 157.775      2.40598  157.164      3.39669  158.389      3.40848  12.5343  0.135495  12.5831  0.135439  
1 1 1 7  2  22 o 17.575   0.124352  308.979      4.37097  309.159      6.18696  308.8        6.17603  17.5772  0.175994  17.567   0.175785  
1 1 1 7  2  23 o 12.3163  0.109433  151.732      2.69562  150.55       3.8447   152.876      3.78048  12.2664  0.156717  12.3609  0.152921  
1 1 1 7  2  24 o 1.21109  0.373884  1.46821      0.995905 1.46677      1.3997   1.46969      1.4173   1.27948  0.445295  1.28355  0.447954  
1 1 1 7  2  25 o 8.82911  0.115994  77.9879      2.04825  76.4097      2.92514  79.5062      2.869    8.7372   0.167396  8.9128   0.160948  
1 1 1 7  2  26 o 3.27897  0.167837  10.7653      1.10066  10.337       1.5365   11.2166      1.57746  3.21094  0.23926   3.3449   0.2358    
1 1 1 7  2  27 o 0.695553 0.324121  -1.0256      1.09972  -1.65915     1.55367  -0.389479    1.55682  0.803143 0.377073  0.960787 0.421878  
1 1 1 7  2  28 o 2.29214  0.214561  5.27091      0.983605 4.85168      1.38702  5.69503      1.39507  2.19486  0.31597   2.37915  0.293187  
1 1 1 7  2  29 o 4.33703  0.121796  18.8365      1.05646  18.1373      1.49439  19.5351      1.49374  4.25255  0.175705  4.41384  0.169211  
1 1 1 7  2  30 o 0.99721  0.361034  0.837656     0.928122 0.549339     1.30466  1.13306      1.32061  1.03582  0.414978  1.17143  0.430012  
1 1 1 7  2  31 o 1.02733  0.361115  0.952129     0.922455 0.963735     1.30751  0.940629     1.30161  1.12531  0.425003  1.11839  0.423557  
1 1 1 7  2  32 o 1.88946  0.241702  3.60732      0.913373 3.9437       1.29104  3.27026      1.29237  1.93732  0.345639  1.7532   0.379304  
1 1 1 7  2  33 o 5.20253  0.109347  27.1342      1.13776  27.1575      1.61657  27.1114      1.60159  5.1982   0.155493  5.19401  0.154177  
1 1 1 7  2  34 o 1.20799  0.360958  1.53042      0.938449 1.84891      1.33384  1.21822      1.32059  1.34076  0.435405  1.17713  0.430214  
1 1 1 7  2  35 o 2.64133  0.197805  7.06131      1.04493  8.36384      1.4517   5.66084      1.50528  2.8635   0.253483  2.34185  0.321386  
1 1 1 7  2  36 o 5.3      0.129515  28.2593      1.37286  29.8556      1.89971  26.5143      1.98622  5.43405  0.174797  5.11441  0.194178  
1 1 1 7  2  37 o 2.47261  0.225628  6.23843      1.11578  7.87544      1.60435  4.70489      1.55282  2.75968  0.290676  2.07851  0.387962  
1 1 1 7  2  38 o 2.83846  0.194682  8.2119       1.10519  9.15288      1.57539  7.3          1.55086  2.97284  0.264964  2.64474  0.293197  
1 1 1 7  2  39 o 3.0876   0.175882  9.70935      1.08611  9.89779      1.54461  9.52506      1.52751  3.08881  0.250034  3.02917  0.252133  
1 1 1 7  2  40 o 3.2262   0.169868  10.6239      1.09606  11.3257      1.54601  9.91478      1.55414  3.30118  0.23416   3.07935  0.252348  
1 1 1 7  2  41 o 3.40731  0.162582  11.8539      1.10794  13.0067      1.57102  10.7131      1.56274  3.53779  0.222034  3.19805  0.244327  
1 1 1 7  2  42 o 2.74708  0.197486  7.84412      1.08502  9.36002      1.55343  6.40011      1.51615  2.95875  0.262515  2.41309  0.314151  
1 1 1 7  2  43 o 1.14922  0.375815  1.57447      0.993724 0.340185     1.39584  2.84294      1.41503  0.926536 0.403183  1.48186  0.443326  
1 1 1 7  2  44 o 0.779862 0.33601   0.253396     0.95145  -0.389434    1.33901  0.908943     1.35219  0.786896 0.36319   0.987782 0.411847  
1 1 1 7  2  45 o 0.805063 0.353276  0.290011     1.09024  1.86781      1.55807  -1.22369     1.5261   1.14786  0.455695  0.730822 0.352116  
1 1 1 7  2  46 o 1.38583  0.427971  3.07019      1.30474  1.39761      1.8226   4.82832      1.86863  0.994018 0.44481   1.59681  0.515037  
1 1 1 7  2  47 o 0.833412 0.399432  0.627029     1.90039  2.21962      2.66882  -1.01109     2.7067   0.954156 0.461058  0.796997 0.398499  
1 1 1 7  2  48 o 0.797988 0.403152  0.22541      3.08497  -0.266832    5.60836  0.438964     3.69404  ?        ?         ?        ?         
1 1 1 7  3  0  o 33.8626  0.356718  1148.14      24.1528  1148.14      24.1528  1148.14      24.1528  33.8732  0.252127  ?        ?         
1 1 1 7  3  1  o 17.3688  0.123098  301.744      4.27614  299.488      6.00604  304.063      6.08959  17.3017  0.173568  17.4333  0.174654  
1 1 1 7  3  2  o 11.5611  0.0829745 133.674      1.91855  133.374      2.70693  133.976      2.7196   11.5475  0.117209  11.5735  0.117493  
1 1 1 7  3  3  o 8.50095  0.061034  72.2707      1.03769  73.4654      1.45695  71.0406      1.47833  8.57067  0.084996  8.42801  0.0877034 
1 1 1 7  3  4  f 20.6343  0.136854  425.917      5.64778  424.615      7.96511  427.233      8.00942  20.5992  0.193335  20.6626  0.193814  
1 1 1 7  3  5  o 22.208   0.147195  493.399      6.53781  493.464      9.24881  493.335      9.24292  22.2047  0.208262  22.2019  0.208156  
1 1 1 7  3  6  f 26.2077  0.17352   687.262      9.09511  686.667      12.8544  687.859      12.8705  26.1881  0.245423  26.2108  0.245519  
1 1 1 7  3  7  o 31.7229  0.219191  1007.38      13.9068  1011.82      18.9083  1002.15      20.5254  31.7785  0.297501  31.6204  0.324559  
1 1 1 7  3  8  o 16.7087  0.112141  279.262      3.74747  280.551      5.31947  277.993      5.2802   16.7448  0.15884   16.6683  0.15839   
1 1 1 7  3  9  o 20.8247  0.14182   433.876      5.90671  432.417      8.32941  435.353      8.3775   20.7846  0.200375  20.8549  0.200852  
1 1 1 7  3  10 f 3.71227  0.0594148 13.7822      0.441128 13.7518      0.637162 13.8101      0.611336 3.70799  0.0859174 3.71588  0.0822599 
1 1 1 7  3  11 o 23.6799  0.170787  561.167      8.08846  562.761      11.6132  559.665      11.2721  23.7039  0.244963  23.6396  0.238416  
1 1 1 7  3  12 f 20.718   0.167596  429.564      6.94453  424.958      9.57884  434.667      10.0826  20.5994  0.232503  20.8321  0.241997  
1 1 1 7  3  13 o 19.3259  0.150746  373.727      5.82661  371.063      8.19123  376.456      8.28978  19.2508  0.21275   19.3901  0.213764  
1 1 1 7  3  14 o 18.0695  0.133185  326.657      4.81318  323.128      7.01309  329.799      6.61783  17.9668  0.195168  18.1525  0.182284  
1 1 1 7  3  15 o 12.5333  0.097403  157.121      2.44157  160.419      3.55325  154.171      3.3606   12.6626  0.140305  12.4138  0.135358  
1 1 1 7  3  16 o 11.1296  0.0840153 123.888      1.87012  125.91       2.65043  121.884      2.63909  11.2192  0.118121  11.0383  0.119543  
1 1 1 7  3  17 o 1.09559  0.245748  1.24985      0.525148 0.139574     0.728785 2.44897      0.757385 0.73623  0.304365  1.56409  0.242117  
1 1 1 7  3  18 o 7.4443   0.0727707 55.4219      1.08345  55.191       1.51069  55.6664      1.55473  7.42849  0.101682  7.46038  0.104199  
1 1 1 7  3  19 o 12.5302  0.0954988 157.027      2.39323  154.585      3.27469  159.826      3.50626  12.4316  0.131708  12.6404  0.138693  
1 1 1 7  3  20 o 7.07433  0.0769957 50.0507      1.08939  51.0783      1.55497  49.0602      1.52666  7.14624  0.108797  7.00364  0.108991  
1 1 1 7  3  21 o 8.76181  0.082528  76.7793      1.44619  74.3767      2.00622  79.3782      2.08658  8.62308  0.116329  8.90828  0.117115  
1 1 1 7  3  22 o 0.932297 0.332926  0.736776     0.786842 0.106729     1.11352  1.36511      1.112    0.887332 0.372073  1.1987   0.397553  
1 1 1 7  3  23 o 9.11905  0.100245  83.1767      1.82827  82.4947      2.54251  83.9068      2.63089  9.08056  0.139998  9.15783  0.143642  
1 1 1 7  3  24 o 17.4285  0.131137  303.898      4.57105  307.787      6.53647  300.175      6.39475  17.5354  0.18638   17.3173  0.184635  
1 1 1 7  3  25 o 3.6127   0.176365  13.0653      1.2743   12.9414      1.77226  13.1979      1.83358  3.59372  0.246577  3.62897  0.252631  
1 1 1 7  3  26 o 7.37909  0.101288  54.4765      1.49483  54.6562      2.09666  54.2907      2.13179  7.38956  0.141867  7.36467  0.144731  
1 1 1 7  3  27 o 3.64713  0.154317  13.3196      1.12562  12.0923      1.60989  14.4935      1.57445  3.47208  0.231833  3.80239  0.207035  
1 1 1 7  3  28 o 2.83414  0.174911  8.04992      0.991447 8.33931      1.41609  7.77168      1.38855  2.88149  0.245722  2.7815   0.249604  
1 1 1 7  3  29 o 0.722024 0.321302  -0.365089    0.93924  -0.184548    1.34594  -0.536458    1.31131  0.915038 0.397009  0.847422 0.378302  
1 1 1 7  3  30 o 5.23786  0.108537  27.4736      1.137    26.7318      1.60273  28.2251      1.61324  5.16287  0.155217  5.30542  0.152037  
1 1 1 7  3  31 o 3.51204  0.143174  12.3714      1.00567  11.5373      1.42306  13.2036      1.42141  3.38565  0.21016   3.6234   0.196143  
1 1 1 7  3  32 o 1.69116  0.264731  2.89621      0.895403 3.85832      1.27014  1.94567      1.26248  1.91596  0.343952  1.36951  0.420588  
1 1 1 7  3  33 o 3.30831  0.147357  10.9952      0.975004 10.8282      1.37451  11.1642      1.38326  3.27553  0.209814  3.32624  0.207932  
1 1 1 7  3  34 o 3.74755  0.14202   14.119       1.06446  12.0213      1.48342  16.3457      1.52832  3.44627  0.215222  4.02397  0.189902  
1 1 1 7  3  35 f 2.30109  0.217993  5.37373      1.00324  6.47662      1.41359  4.25444      1.42406  2.51381  0.281165  1.99123  0.371403  
1 1 1 7  3  36 o 3.18303  0.185152  10.2563      1.17869  10.2709      1.63367  10.2404      1.7023   3.16694  0.257925  3.15884  0.269449  
1 1 1 7  3  37 o 2.52261  0.216345  6.4831       1.09151  9.01897      1.59512  4.25018      1.49681  2.95995  0.26945   1.97113  0.393612  
1 1 1 7  3  38 o 4.44466  0.134901  19.9381      1.19918  21.6875      1.73583  18.3409      1.65861  4.61556  0.188041  4.24148  0.195522  
1 1 1 7  3  39 o 3.47796  0.162228  12.2875      1.12845  11.8222      1.58454  12.7662      1.60744  3.38285  0.234202  3.51804  0.228456  
1 1 1 7  3  40 o 1.14905  0.380163  1.43915      1.01685  0.878184     1.43097  2.01135      1.44522  1.07672  0.433255  1.33322  0.453219  
1 1 1 7  3  41 o 0.660347 0.308802  -0.794684    1.00938  -1.52869     1.42717  -0.0600386   1.42779  0.731746 0.349606  0.907663 0.400894  
1 1 1 7  3  42 o 0.843375 0.354183  0.341855     1.01158  0.467312     1.44741  0.222063     1.41435  0.977929 0.417675  0.930514 0.405388  
1 1 1 7  3  43 o 2.63302  0.201632  7.28685      1.0618   7.84247      1.51104  6.74488      1.49236  2.66896  0.283076  2.45834  0.30353   
1 1 1 7  3  44 o 0.919412 0.361253  0.858378     0.969855 0.521614     1.36653  1.20017      1.37669  0.921104 0.399843  1.04412  0.42296   
1 1 1 7  3  45 o 0.868044 0.365851  0.639988     1.08575  0.999277     1.53487  0.280129     1.53609  0.991246 0.426925  0.889034 0.40259   
1 1 1 7  3  46 o 1.07726  0.420047  1.8562       1.30553  1.38628      1.79158  2.38824      1.90634  0.990819 0.442255  1.12432  0.479742  
1 1 1 7  3  47 o 0.762012 0.37082   -0.195007    1.80286  -1.53613     2.56129  1.12196      2.53813  0.762732 0.383222  0.885596 0.432666  
1 1 1 7  3  48 o 0.843216 0.428911  2.15942      3.76824  5.95617      5.07959  -2.48717     5.6194   ?        ?         ?        ?         
1 1 1 7  4  0  o 3.0327   0.048773  9.20461      0.295656 9.20461      0.295656 9.20461      0.295656 3.03331  0.0344708 ?        ?         
1 1 1 7  4  1  o 10.7636  0.079273  115.867      1.70653  118.341      2.46042  113.573      2.36896  10.8773  0.113099  10.656   0.111156  
1 1 1 7  4  2  o 5.77674  0.0539254 33.3724      0.623026 32.5914      0.864789 34.2151      0.898355 5.70862  0.0757442 5.84908  0.0767946 
1 1 1 7  4  3  o 9.66961  0.0706261 93.5095      1.36585  93.3746      1.97728  93.6326      1.88896  9.66216  0.102321  9.67558  0.097615  
1 1 1 7  4  4  o 19.2883  0.128128  372.152      4.94276  375.011      7.03818  369.37       6.94303  19.3592  0.181779  19.2131  0.180684  
1 1 1 7  4  5  o 9.18513  0.0649344 84.3735      1.19286  85.2833      1.66873  83.4229      1.70581  9.23415  0.0903562 9.13282  0.093389  
1 1 1 7  4  6  o 9.63684  0.0670875 92.8774      1.29302  93.6314      1.84     92.1417      1.81743  9.67541  0.0950861 9.59814  0.0946763 
1 1 1 7  4  7  o 14.2035  0.0979777 201.782      2.78325  201.947      3.85542  201.601      4.0221   14.2079  0.135678  14.1955  0.141668  
1 1 1 7  4  8  o 27.2581  0.182634  743.573      9.95647  745.06       13.9578  742.033      14.2067  27.275   0.255871  27.2187  0.260973  
1 1 1 7  4  9  o 25.602   0.173682  655.943      8.89323  654.132      12.5409  657.774      12.6133  25.5572  0.245349  25.6282  0.246082  
1 1 1 7  4  10 o 2.48906  0.0751067 6.19632      0.37389  6.19212      0.538885 6.20023      0.519187 2.48803  0.108296  2.48968  0.104268  
1 1 1 7  4  11 o 14.6159  0.105503  213.689      3.08405  213.484      4.4124   213.884      4.31233  14.6067  0.151041  14.6206  0.147475  
1 1 1 7  4  12 o 13.6361  0.119353  186.015      3.25502  184.813      4.57505  187.246      4.63207  13.5893  0.168332  13.6784  0.16932   
1 1 1 7  4  13 o 8.88855  0.0744621 79.0185      1.32372  78.8444      1.91751  79.1769      1.82963  8.87801  0.107992  8.89684  0.102825  
1 1 1 7  4  14 o 3.94464  0.0747884 15.5624      0.590027 15.7934      0.876717 15.3712      0.797715 3.97346  0.110322  3.92009  0.101747  
1 1 1 7  4  15 o 23.9702  0.171927  574.98       8.24226  574.631      11.651   575.33       11.6617  23.9542  0.243192  23.9687  0.243269  
1 1 1 7  4  16 o 6.62039  0.0688859 43.8341      0.912104 42.3679      1.25789  45.4597      1.3245   6.50839  0.0966364 6.74166  0.0982325 
1 1 1 7  4  17 o 12.5745  0.0929628 158.143      2.33793  158.704      3.27713  157.561      3.33632  12.5959  0.130087  12.5504  0.132917  
1 1 1 7  4  18 o 7.81209  0.0728615 61.0335      1.1384   60.9071      1.60474  61.1615      1.6152   7.80369  0.102819  7.81996  0.103274  
1 1 1 7  4  19 o 14.7911  0.105805  218.813      3.12993  217.875      4.41169  219.764      4.44125  14.7581  0.149467  14.8219  0.14982   
1 1 1 7  4  20 o 7.06469  0.0757315 49.9143      1.07004  51.4202      1.52891  48.4686      1.49809  7.17013  0.106616  6.96129  0.107602  
1 1 1 7  4  21 o 16.6864  0.121193  278.513      4.04456  275.762      5.56208  281.601      5.89189  16.6015  0.167517  16.776   0.175605  
1 1 1 7  4  22 o 13.8981  0.106402  193.204      2.95756  191.475      4.15793  194.975      4.20777  13.8341  0.150278  13.96    0.150708  
1 1 1 7  4  23 o 7.39301  0.0998951 54.6696      1.47705  53.5648      2.08012  55.7933      2.09773  7.31702  0.142142  7.46772  0.140453  
1 1 1 7  4  24 o 7.59809  0.094763  57.7456      1.44004  57.4572      2.044    58.0298      2.02912  7.57809  0.134862  7.61581  0.133218  
1 1 1 7  4  25 o 7.68927  0.111493  59.1503      1.7146   59.4059      2.40275  58.8851      2.44747  7.70426  0.155937  7.67026  0.159543  
1 1 1 7  4  26 o 6.94338  0.107597  48.2365      1.49418  49.713       2.13563  46.8208      2.09124  7.04695  0.151529  6.83882  0.152895  
1 1 1 7  4  27 o 8.75793  0.10037   76.7462      1.75806  76.3963      2.52947  77.0732      2.44521  8.73518  0.144786  8.77419  0.139341  
1 1 1 7  4  28 o 2.21552  0.220978  4.92604      0.979165 4.34859      1.39363  5.48899      1.37603  2.07671  0.335539  2.33539  0.294604  
1 1 1 7  4  29 o 7.8622   0.0939721 61.8692      1.47766  61.8133      2.09975  61.924       2.07983  7.85514  0.133655  7.86232  0.132266  
1 1 1 7  4  30 o 7.04485  0.096222  49.6854      1.35574  49.5954      1.92157  49.7746      1.91306  7.03445  0.136583  7.04724  0.135731  
1 1 1 7  4  31 f 5.8717   0.101972  34.5299      1.1975   33.1414      1.68934  35.9322      1.69772  5.74758  0.146961  5.98535  0.141823  
1 1 1 7  4  32 o 2.04516  0.222083  4.22043      0.908392 2.42655      1.27476  6.07112      1.29479  1.50939  0.4112    2.4483   0.264426  
1 1 1 7  4  33 o 1.99818  0.227689  4.037        0.909928 3.06551      1.28032  5.02853      1.29345  1.69211  0.386615  2.22255  0.290983  
1 1 1 7  4  34 o 3.62157  0.14849   13.1935      1.07553  14.5622      1.53766  11.8825      1.50493  3.79534  0.202572  3.42512  0.21969   
1 1 1 7  4  35 o 1.12557  0.367798  1.28653      0.951777 0.867851     1.32326  1.7353       1.36999  1.09004  0.423329  1.30768  0.441265  
1 1 1 7  4  36 o 0.934761 0.379678  0.439681     1.11318  1.11858      1.57727  -0.234076    1.57128  1.19518  0.462587  0.960967 0.422884  
1 1 1 7  4  37 o 2.1257   0.248975  4.63134      1.05849  4.69406      1.4942   4.56816      1.49968  2.08153  0.372371  2.05008  0.380026  
1 1 1 7  4  38 o 2.45019  0.218803  6.15137      1.07222  6.66439      1.54377  5.67324      1.49033  2.52133  0.306141  2.32096  0.321059  
1 1 1 7  4  39 o 1.57339  0.340642  2.73772      1.04166  2.41316      1.47124  3.06394      1.47502  1.45222  0.455669  1.62676  0.441939  
1 1 1 7  4  40 o 1.36552  0.362738  2.11789      1.00767  4.61827      1.44041  -0.278656    1.41018  2.02655  0.369039  0.87568  0.391574  
1 1 1 7  4  41 o 1.15806  0.38022   1.49281      1.01716  1.51463      1.45155  1.47176      1.42575  1.20408  0.449293  1.19143  0.445142  
1 1 1 7  4  42 o 1.50544  0.350321  2.63686      1.03591  2.61173      1.46064  2.66229      1.4694   1.44447  0.454181  1.45713  0.45502   
1 1 1 7  4  43 o 0.915862 0.364895  0.735032     1.0023   0.284191     1.40563  1.20138      1.4296   0.918809 0.402174  1.08523  0.434551  
1 1 1 7  4  44 o 0.940944 0.368081  0.930625     1.00415  1.43023      1.40006  0.401385     1.44099  1.09033  0.43225   0.914805 0.403564  
1 1 1 7  4  45 o 1.20957  0.398105  2.02082      1.1151   0.633911     1.53889  3.55411      1.61806  0.934228 0.413953  1.50775  0.478558  
1 1 1 7  4  46 o 0.655222 0.317784  -1.08634     1.30477  -1.69411     1.75595  -0.33708     1.94965  0.709263 0.349331  0.833691 0.400774  
1 1 1 7  4  47 o 0.722308 0.355779  -0.766343    1.80595  -0.920853    2.62165  -0.626813    2.49133  0.788623 0.394312  0.793071 0.394906  
1 1 1 7  4  48 o 0.810644 0.407839  1.32052      2.91114  4.46245      4.14607  -1.73476     4.08849  0.872952 0.444621  ?        ?         
1 1 1 7  5  0  o 14.9364  0.154298  223.211      4.60819  223.211      4.60819  223.211      4.60819  14.9383  0.109078  ?        ?         
1 1 1 7  5  1  o 11.0126  0.0823422 121.291      1.8136   121.861      2.60899  120.758      2.52282  11.0378  0.118185  10.9877  0.114802  
1 1 1 7  5  2  o 17.9127  0.132194  320.963      4.7359   320.93       6.7802   320.994      6.61789  17.9089  0.189297  17.9109  0.184745  
1 1 1 7  5  3  o 12.7367  0.0937571 162.249      2.38831  163.934      3.49797  160.776      3.26882  12.8015  0.136623  12.6778  0.128919  
1 1 1 7  5  4  o 14.7709  0.0988456 218.22       2.92007  219.22       4.14763  217.236      4.11182  14.8033  0.140092  14.7361  0.139515  
1 1 1 7  5  5  o 11.6148  0.0788133 134.92       1.8308   136.831      2.62156  133.1        2.55789  11.696   0.112071  11.5355  0.110871  
1 1 1 7  5  6  f 26.5893  0.179932  707.475      9.56854  708.023      13.2575  706.879      13.8242  26.591   0.249286  26.5679  0.260167  
1 1 1 7  5  7  o 7.69262  0.0720989 59.1833      1.10926  59.8764      1.58089  58.5111      1.55685  7.73707  0.102163  7.64836  0.101777  
1 1 1 7  5  8  o 4.99066  0.0492611 24.9081      0.491691 25.7042      0.692935 24.1008      0.697803 5.06965  0.0683415 4.90896  0.0710744 
1 1 1 7  5  9  o 23.8016  0.159972  566.873      7.61519  565.078      10.8508  568.616      10.69    23.7561  0.228381  23.8309  0.224288  
1 1 1 7  5  10 o 26.8071  0.214644  719.47       11.508   712.914      15.8959  726.691      16.6819  26.67    0.298012  26.924   0.309797  
1 1 1 7  5  11 o 12.2868  0.0906918 150.999      2.22863  151.82       3.2055   150.231      3.10062  12.3187  0.130107  12.2543  0.126512  
1 1 1 7  5  12 o 6.10466  0.0703204 37.2719      0.858565 36.9301      1.1794   37.6574      1.25226  6.07622  0.0970503 6.13568  0.102048  
1 1 1 7  5  13 o 8.86217  0.074199  78.5498      1.31513  79.2376      1.91952  77.9413      1.80546  8.90014  0.107836  8.82718  0.102267  
1 1 1 7  5  14 o 18.7632  0.141139  352.234      5.29645  355.132      7.64647  349.562      7.34334  18.835   0.202985  18.6874  0.196479  
1 1 1 7  5  15 o 15.5437  0.111318  241.679      3.46061  241.342      4.83623  242.034      4.95397  15.5306  0.1557    15.5527  0.159265  
1 1 1 7  5  16 o 13.593   0.10109   184.81       2.74824  183.886      3.87595  185.745      3.89732  13.5575  0.142945  13.6258  0.143012  
1 1 1 7  5  17 o 4.22038  0.080029  17.8135      0.675506 16.6775      0.93999  19.0268      0.971404 4.08334  0.115101  4.36151  0.111361  
1 1 1 7  5  18 o 11.945   0.0927605 142.7        2.21604  141.301      3.07804  144.205      3.19303  11.8855  0.129487  12.0069  0.132966  
1 1 1 7  5  19 f 21.6894  0.147465  470.581      6.39683  472.616      9.07823  468.573      9.01508  21.7325  0.208863  21.6394  0.208302  
1 1 1 7  5  20 o 15.69    0.111716  246.224      3.50563  246.748      4.97195  245.706      4.94358  15.705   0.158292  15.6718  0.157722  
1 1 1 7  5  21 o 8.87053  0.0823495 78.6968      1.46097  80.1033      2.10383  77.3868      2.03036  8.94881  0.117548  8.79581  0.115416  
1 1 1 7  5  22 o 14.4775  0.107682  209.65       3.11794  214.677      4.49162  204.975      4.33161  14.6481  0.153317  14.3134  0.151313  
1 1 1 7  5  23 o 1.41629  0.363021  2.08964      1.03302  2.76149      1.44227  1.38189      1.4803   1.62961  0.434461  1.27611  0.456551  
1 1 1 7  5  24 o 11.4319  0.102882  130.729      2.35227  128.722      3.3489   132.683      3.30476  11.342   0.147633  11.5154  0.143493  
1 1 1 7  5  25 o 16.6089  0.139472  276.047      4.63296  278.084      6.65714  274.135      6.45167  16.6639  0.199747  16.5457  0.194965  
1 1 1 7  5  26 o 9.00883  0.104115  81.2009      1.87591  83.7328      2.63972  78.6176      2.66637  9.14601  0.14431   8.86187  0.15044   
1 1 1 7  5  27 o 0.761556 0.334266  -0.248263    0.976562 -0.674663    1.39648  0.159818     1.36615  0.861937 0.387426  0.984514 0.412442  
1 1 1 7  5  28 o 4.13519  0.129078  17.121       1.06752  17.5863      1.52021  16.6684      1.49941  4.1884   0.181479  4.07749  0.183864  
1 1 1 7  5  29 o 6.49177  0.0970336 42.1839      1.25984  43.6199      1.8081   40.829       1.75639  6.59821  0.137014  6.38358  0.137571  
1 1 1 7  5  30 o 3.84001  0.132374  14.7775      1.01663  13.7908      1.44182  15.7531      1.43368  3.70494  0.194581  3.961    0.180974  
1 1 1 7  5  31 o 4.19396  0.123607  17.6296      1.03681  16.9263      1.46862  18.3284      1.46392  4.10421  0.178917  4.27166  0.171352  
1 1 1 7  5  32 o 1.83476  0.246664  3.40439      0.905138 3.78964      1.29219  3.03329      1.26826  1.89584  0.35395   1.68639  0.384436  
1 1 1 7  5  33 o 0.754753 0.324487  -0.0421282   0.88373  -0.278918    1.25132  0.193498     1.24825  0.857685 0.377407  0.938954 0.393839  
1 1 1 7  5  34 o 3.9385   0.143017  15.5987      1.12654  16.5085      1.66205  14.8255      1.53221  4.03993  0.205703  3.82964  0.200045  
1 1 1 7  5  35 o 2.3395   0.198688  5.54229      0.929659 6.81652      1.32473  4.30578      1.30497  2.58352  0.25638   2.04158  0.319597  
1 1 1 7  5  36 o 1.28849  0.405718  1.75871      1.165    1.03677      1.70986  2.38424      1.59161  1.20754  0.47801   1.48593  0.474934  
1 1 1 7  5  37 o 2.96971  0.181777  8.93701      1.07965  7.13383      1.53286  10.7122      1.52092  2.62552  0.291915  3.23659  0.234957  
1 1 1 7  5  38 o 1.24225  0.379894  1.68353      1.03148  2.46279      1.47448  0.936705     1.44347  1.47738  0.454698  1.11176  0.439481  
1 1 1 7  5  39 f 3.42981  0.168943  11.9685      1.15888  12.1991      1.63342  11.7347      1.64445  3.43353  0.237863  3.36442  0.244389  
1 1 1 7  5  40 o 0.882085 0.362403  0.428492     1.02588  0.137662     1.42343  0.742828     1.47984  0.941624 0.408407  1.05966  0.435294  
1 1 1 7  5  41 o 1.19472  0.381959  1.61497      1.02939  1.14841      1.44223  2.09949      1.46972  1.12142  0.44056   1.34136  0.457045  
1 1 1 7  5  42 o 1.2639   0.381077  1.89504      1.04282  1.67559      1.45273  2.12833      1.49786  1.21246  0.450061  1.31901  0.46049   
1 1 1 7  5  43 o 1.44114  0.354495  2.49132      1.01606  2.95372      1.44299  2.03659      1.43095  1.50319  0.447273  1.26759  0.449338  
1 1 1 7  5  44 o 0.852854 0.357293  0.537053     1.02527  1.05179      1.4601   0.0363846    1.44001  1.02053  0.426891  0.860736 0.389785  
1 1 1 7  5  45 o 1.22237  0.393602  2.0658       1.09168  3.07532      1.56073  1.09875      1.52755  1.39791  0.470983  0.998445 0.427843  
1 1 1 7  5  46 o 0.758188 0.35298   -0.0537728   1.30043  1.01427      1.72348  -1.46567     1.9816   0.939436 0.425874  0.760823 0.374669  
1 1 1 7  5  47 o 0.838147 0.399401  0.834325     1.83266  -0.540124    2.65281  2.08916      2.53475  0.802598 0.400744  0.934449 0.451101  
1 1 1 7  5  48 o 0.752608 0.378846  0.174798     2.58405  1.6319       3.60071  -1.37256     3.71055  ?        ?         ?        ?         
1 1 1 7  6  0  o 5.38025  0.0618417 28.9595      0.665249 28.9595      0.665249 28.9595      0.665249 5.38083  0.0437175 ?        ?         
1 1 1 7  6  1  f 7.16346  0.0550578 51.3179      0.788808 52.5402      1.13871  50.1903      1.09374  7.24806  0.0785526 7.08413  0.0771963 
1 1 1 7  6  2  o 9.37589  0.0703843 87.9152      1.31983  87.2031      1.85252  88.6493      1.88085  9.33741  0.0991991 9.41451  0.0998908 
1 1 1 7  6  3  o 25.1448  0.1782    632.638      8.96161  638.136      12.7768  627.314      12.573   25.2459  0.253046  25.0311  0.251147  
1 1 1 7  6  4  o 34.9993  0.236429  1226.3       16.5497  1223.52      23.3578  1229.09      23.452   34.9399  0.334256  35.0192  0.334846  
1 1 1 7  6  5  o 8.69018  0.0629777 75.5253      1.09457  72.6542      1.51007  78.7039      1.58886  8.52304  0.0885872 8.87078  0.0895561 
1 1 1 7  6  6  o 19.8202  0.133271  392.99       5.28291  393.962      7.40834  391.985      7.53561  19.8409  0.186694  19.7907  0.190382  
1 1 1 7  6  7  o 18.448   0.124501  340.448      4.59357  339.197      6.4065   341.772      6.58996  18.4109  0.173987  18.4803  0.178297  
1 1 1 7  6  8  o 22.1354  0.148814  490.236      6.58811  489.242      9.20197  491.281      9.43644  22.1073  0.20812   22.1528  0.212985  
1 1 1 7  6  9  o 31.879   0.213407  1017.42      13.6064  1011.4       18.9349  1023.85      19.5653  31.7672  0.298027  31.9602  0.306088  
1 1 1 7  6  10 f 21.544   0.168418  464.484      7.25679  465.079      10.4256  463.925      10.1071  21.5493  0.241902  21.5235  0.234792  
1 1 1 7  6  11 o 18.6421  0.134141  347.696      5.00136  344.305      7.01197  351.208      7.13564  18.5466  0.189037  18.7314  0.190473  
1 1 1 7  6  12 o 3.09994  0.0838058 9.61152      0.519586 9.65987      0.726841 9.561        0.743039 3.10744  0.116952  3.09147  0.120176  
1 1 1 7  6  13 o 5.90825  0.0665164 34.9115      0.78599  36.2825      1.14958  33.708       1.07707  6.02276  0.0954363 5.80519  0.0927683 
1 1 1 7  6  14 o 16.0548  0.121075  257.85       3.88765  256.411      5.61359  259.177      5.38921  16.0066  0.175352  16.0933  0.167437  
1 1 1 7  6  15 o 11.7458  0.0877914 137.99       2.06236  138.441      2.99014  137.58       2.84828  11.7638  0.127091  11.7274  0.121437  
1 1 1 7  6  16 o 20.1642  0.144494  406.765      5.82721  403.053      8.08106  410.785      8.41067  20.0679  0.201343  20.2589  0.207579  
1 1 1 7  6  17 o 19.4028  0.133899  376.579      5.19603  374.568      7.23992  378.715      7.46168  19.3481  0.187096  19.4547  0.191771  
1 1 1 7  6  18 f 16.3575  0.119608  267.623      3.91297  265.97       5.50578  269.31       5.5622   16.3051  0.168836  16.4071  0.169506  
1 1 1 7  6  19 o 11.332   0.0902349 128.43       2.04508  130.502      2.89557  126.367      2.88881  11.4223  0.12675   11.2399  0.128507  
1 1 1 7  6  20 f 10.0272  0.0838017 100.556      1.68059  102.954      2.43492  98.3739      2.32248  10.1454  0.120002  9.91721  0.117093  
1 1 1 7  6  21 o 8.22553  0.0802377 67.6681      1.32     68.3886      1.87689  66.963       1.85678  8.26866  0.113494  8.18203  0.113467  
1 1 1 7  6  22 o 13.7675  0.10417   189.589      2.86832  192.465      4.09978  186.83       4.01441  13.8699  0.147794  13.6654  0.146882  
1 1 1 7  6  23 o 7.79846  0.10718   60.8332      1.67167  62.033       2.31069  59.5158      2.42139  7.87399  0.14673   7.71228  0.156983  
1 1 1 7  6  24 o 7.69173  0.0993491 59.1798      1.52833  58.5101      2.16032  59.8509      2.16246  7.64694  0.141254  7.73411  0.1398    
1 1 1 7  6  25 o 4.74985  0.128862  22.5749      1.22415  22.8266      1.7158   22.3139      1.74704  4.77485  0.17967   4.72076  0.185038  
1 1 1 7  6  26 o 10.117   0.111846  102.416      2.2631   102.382      3.18635  102.452      3.21486  10.1122  0.157549  10.1156  0.158906  
1 1 1 7  6  27 o 7.64977  0.0990516 58.5536      1.51544  57.7568      2.16927  59.3132      2.11797  7.59508  0.142807  7.69708  0.137583  
1 1 1 7  6  28 o 3.37872  0.154901  11.4367      1.04673  12.6837      1.47889  10.185       1.48172  3.55546  0.207975  3.18472  0.232629  
1 1 1 7  6  29 o 3.02125  0.159548  9.15228      0.964072 9.50887      1.34601  8.77664      1.38149  3.07601  0.218791  2.95417  0.23382   
1 1 1 7  6  30 o 2.86853  0.169331  8.25825      0.971461 8.1698       1.35943  8.35056      1.38875  2.84805  0.238659  2.87916  0.241173  
1 1 1 7  6  31 o 5.51956  0.107508  30.5192      1.18679  30.5669      1.64992  30.4681      1.70834  5.51923  0.149471  5.50958  0.155034  
1 1 1 7  6  32 o 5.21414  0.108264  27.2475      1.129    27.1972      1.57962  27.3         1.61425  5.20377  0.151776  5.21314  0.154825  
1 1 1 7  6  33 o 2.34705  0.196176  5.55549      0.92087  5.05148      1.28008  6.09609      1.32573  2.22744  0.287344  2.4494   0.270624  
1 1 1 7  6  34 o 3.55277  0.157896  12.7095      1.12194  14.0036      1.55513  11.3049      1.6202   3.71985  0.209031  3.33533  0.242885  
1 1 1 7  6  35 o 2.4306   0.196608  5.98179      0.955751 7.13963      1.33896  4.77906      1.36467  2.64429  0.25318   2.15081  0.317246  
1 1 1 7  6  36 o 2.83794  0.222447  8.19682      1.26258  6.92102      1.78434  9.4761       1.78678  2.57537  0.346424  3.03098  0.294753  
1 1 1 7  6  37 o 1.95902  0.27579   3.95954      1.08056  3.40705      1.54207  4.49251      1.51458  1.7429   0.441644  2.02818  0.387252  
1 1 1 7  6  38 o 3.03512  0.188621  9.38632      1.14497  11.6077      1.65392  7.34202      1.58665  3.35301  0.246632  2.64691  0.299716  
1 1 1 7  6  39 o 2.01     0.275649  4.22917      1.10811  4.21814      1.58557  4.23971      1.54926  1.91834  0.424554  1.92888  0.413546  
1 1 1 7  6  40 o 2.74275  0.200246  7.74796      1.09845  9.95109      1.56202  5.59253      1.54501  3.0817   0.253434  2.26895  0.340469  
1 1 1 7  6  41 o 2.46445  0.213699  6.31116      1.0533   6.18677      1.48851  6.4359       1.49068  2.39034  0.31136   2.44161  0.305266  
1 1 1 7  6  42 f 0.642226 0.302181  -0.869475    1.01004  -1.05103     1.42572  -0.686544    1.43112  0.764681 0.359571  0.807294 0.373698  
1 1 1 7  6  43 o 0.959718 0.366553  0.933238     0.981668 -0.398819    1.38126  2.29277      1.39543  0.814658 0.373083  1.3307   0.445344  
1 1 1 7  6  44 o 1.3923   0.366329  2.46416      1.03392  2.81921      1.44133  2.08779      1.48397  1.40818  0.452146  1.22576  0.454898  
1 1 1 7  6  45 o 1.03643  0.385302  1.41513      1.06555  0.624201     1.49583  2.22995      1.51825  0.918715 0.407467  1.20376  0.456991  
1 1 1 7  6  46 o 0.975699 0.409245  1.37599      1.34778  0.187381     1.84899  2.72354      1.96873  0.862861 0.406827  1.16202  0.491336  
1 1 1 7  6  47 o 0.677826 0.336606  -1.31542     1.74977  -0.223732    2.49186  -2.3773      2.45759  0.803422 0.399348  0.714467 0.360721  
1 1 1 7  6  48 o 0.793411 0.399223  1.6683       2.81824  7.52986      4.09758  -3.59354     3.88231  0.902904 0.456706  ?        ?         
1 1 1 7  7  0  o 24.1297  0.351113  583.273      16.9364  583.273      16.9364  583.273      16.9364  24.1402  0.248107  ?        ?         
1 1 1 7  7  1  o 14.7601  0.152686  217.977      4.50625  217.977      4.50625  217.977      4.50625  14.7621  0.107938  ?        ?         
1 1 1 7  7  2  o 20.3836  0.209831  415.796      8.5522   415.796      8.5522   415.796      8.5522   20.3873  0.148328  ?        ?         
1 1 1 7  7  3  o 20.4343  0.210473  417.874      8.59967  417.874      8.59967  417.874      8.59967  20.4381  0.148781  ?        ?         
1 1 1 7  7  4  o 23.6711  0.22686   560.77       10.7378  560.77       10.7378  560.77       10.7378  23.6758  0.160366  ?        ?         
1 1 1 7  7  5  o 4.07376  0.0651431 16.609       0.530449 16.609       0.530449 16.609       0.530449 4.07459  0.0460405 ?        ?         
1 1 1 7  7  6  o 13.6898  0.136674  187.506      3.74124  187.506      3.74124  187.506      3.74124  13.6915  0.0966199 ?        ?         
1 1 1 7  7  7  o 0.389099 0.235168  0.154171     0.328185 0.154171     0.328185 0.154171     0.328185 0.351754 0.204473  ?        ?         
1 1 1 7  7  8  o 2.00699  0.0967252 4.05647      0.386198 4.05647      0.386198 4.05647      0.386198 2.01056  0.0680892 ?        ?         
1 1 1 7  7  9  o 9.16042  0.105411  83.9584      1.93064  83.9584      1.93064  83.9584      1.93064  9.16165  0.0745156 ?        ?         
1 1 1 7  7  10 o 4.678    0.0836936 21.9067      0.782471 21.9067      0.782471 21.9067      0.782471 4.67923  0.0591433 ?        ?         
1 1 1 7  7  11 o 22.7963  0.25607   520.332      11.6716  520.332      11.6716  520.332      11.6716  22.8036  0.180986  ?        ?         
1 1 1 7  7  12 o 1.56138  0.20925   2.56813      0.627297 2.56813      0.627297 2.56813      0.627297 1.5833   0.142745  ?        ?         
1 1 1 7  7  13 o 15.0978  0.157512  228.093      4.75501  228.093      4.75501  228.093      4.75501  15.1003  0.111346  ?        ?         
1 1 1 7  7  14 o 8.07353  0.10743   65.2258      1.73399  65.2258      1.73399  65.2258      1.73399  8.07489  0.0759368 ?        ?         
1 1 1 7  7  15 o 1.09733  0.35177   1.52439      0.678631 1.52439      0.678631 1.52439      0.678631 1.1725   0.230139  ?        ?         
1 1 1 7  7  16 o 6.43058  0.102618  41.3881      1.31903  41.3881      1.31903  41.3881      1.31903  6.43196  0.0725253 ?        ?         
1 1 1 7  7  17 o 1.69303  0.252341  3.05125      0.797575 3.05125      0.797575 3.05125      0.797575 1.72263  0.167319  ?        ?         
1 1 1 7  7  18 o 5.8875   0.103323  34.6974      1.21578  34.6974      1.21578  34.6974      1.21578  5.88898  0.0730167 ?        ?         
1 1 1 7  7  19 o 4.73139  0.115638  22.4283      1.09278  22.4283      1.09278  22.4283      1.09278  4.73362  0.0816744 ?        ?         
1 1 1 7  7  20 o 2.3333   0.205209  5.57151      0.940591 5.57151      0.940591 5.57151      0.940591 2.34724  0.14289   ?        ?         
1 1 1 7  7  21 o 5.72127  0.1199    32.7808      1.3706   32.7808      1.3706   32.7808      1.3706   5.72336  0.084709  ?        ?         
1 1 1 7  7  22 o 9.69996  0.131881  94.1593      2.55741  94.1593      2.55741  94.1593      2.55741  9.70177  0.093217  ?        ?         
1 1 1 7  7  23 o 0.779865 0.473721  0.598326     1.34679  0.598326     1.34679  0.598326     1.34679  0.702447 0.41159   ?        ?         
1 1 1 7  7  24 o 4.20458  0.197832  17.8059      1.65521  17.8059      1.65521  17.8059      1.65521  4.21219  0.139276  ?        ?         
1 1 1 7  7  25 o 1.52975  0.529483  3.0615       1.458    3.0615       1.458    3.0615       1.458    1.64376  0.358319  ?        ?         
1 1 1 7  7  26 o 1.21759  0.58498   2.20322      1.63293  2.20322      1.63293  2.20322      1.63293  1.27162  0.484563  ?        ?         
1 1 1 7  7  27 o 2.74169  0.27322   7.75505      1.46404  7.75505      1.46404  7.75505      1.46404  2.764    0.18931   ?        ?         
1 1 1 7  7  28 o 5.44135  0.160802  29.7158      1.7465   29.7158      1.7465   29.7158      1.7465   5.44628  0.113488  ?        ?         
1 1 1 7  7  29 o 6.86329  0.135784  47.2061      1.86221  47.2061      1.86221  47.2061      1.86221  6.86699  0.0959197 ?        ?         
1 1 1 7  7  30 o 4.29248  0.174534  18.5527      1.49274  18.5527      1.49274  18.5527      1.49274  4.29992  0.122965  ?        ?         
1 1 1 7  7  31 o 10.0993  0.13927   102.209      2.81186  102.209      2.81186  102.209      2.81186  10.1046  0.0984066 ?        ?         
1 1 1 7  7  32 o 5.22774  0.150443  27.4564      1.57001  27.4564      1.57001  27.4564      1.57001  5.23383  0.106155  ?        ?         
1 1 1 7  7  33 o 1.09913  0.512697  1.81525      1.24651  1.81525      1.24651  1.81525      1.24651  1.16599  0.415498  ?        ?         
1 1 1 7  7  34 o 2.02272  0.414214  4.64739      1.48089  4.64739      1.48089  4.64739      1.48089  2.10062  0.258035  ?        ?         
1 1 1 7  7  35 o 7.05817  0.142082  50.044       2.00385  50.044       2.00385  50.044       2.00385  7.06611  0.100308  ?        ?         
1 1 1 7  7  36 o 0.617633 0.426024  -0.914777    1.65374  -0.914777    1.65374  -0.914777    1.65374  0.492749 0.343698  ?        ?         
1 1 1 7  7  37 o 2.12042  0.399784  5.07078      1.51715  5.07078      1.51715  5.07078      1.51715  2.19558  0.25184   ?        ?         
1 1 1 7  7  38 o 2.16352  0.396655  5.28647      1.54381  5.28647      1.54381  5.28647      1.54381  2.24034  0.250793  ?        ?         
1 1 1 7  7  39 o 1.02501  0.542987  1.69632      1.47799  1.69632      1.47799  1.69632      1.47799  1.0558   0.470258  ?        ?         
1 1 1 7  7  40 o 1.61594  0.526998  3.53577      1.5027   3.53577      1.5027   3.53577      1.5027   1.76329  0.337551  ?        ?         
1 1 1 7  7  41 o 0.895551 0.516048  1.26107      1.45833  1.26107      1.45833  1.26107      1.45833  0.883213 0.457401  ?        ?         
1 1 1 7  7  42 o 0.993718 0.536759  1.71042      1.46672  1.71042      1.46672  1.71042      1.46672  1.03717  0.468461  ?        ?         
1 1 1 7  7  43 o 0.592509 0.402627  -0.313688    1.38012  -0.313688    1.38012  -0.313688    1.38012  0.494332 0.336893  ?        ?         
1 1 1 7  7  44 o 0.850217 0.508576  1.28132      1.50411  1.28132      1.50411  1.28132      1.50411  0.848721 0.45747   ?        ?         
1 1 1 7  7  45 o 0.576117 0.400074  -0.452708    1.50462  -0.452708    1.50462  -0.452708    1.50462  0.483959 0.336105  ?        ?         
1 1 1 7  7  46 o 0.762115 0.514665  0.833828     2.20571  0.833828     2.20571  0.833828     2.20571  0.720359 0.467747  ?        ?         
1 1 1 7  7  47 o 0.587143 0.425159  -1.19697     2.4142   -1.19697     2.4142   -1.19697     2.4142   0.507882 0.367076  ?        ?         
1 1 1 7  7  48 o 0.70151  0.519604  2.44913      4.76808  2.44913      4.76808  2.44913      4.76808  0.714464 0.516315  ?        ?         
1 1 1 8  0  0  o 17.3954  0.230371  302.867      8.0116   302.867      8.0116   302.867      8.0116   17.3992  0.162829  ?        ?         
1 1 1 8  0  1  f 5.5139   0.0579019 30.4138      0.638372 30.4138      0.638372 30.4138      0.638372 5.51438  0.0409341 ?        ?         
1 1 1 8  0  2  o 9.06143  0.092923  82.1405      1.68363  82.1405      1.68363  82.1405      1.68363  9.06228  0.0656925 ?        ?         
1 1 1 8  0  3  o 7.32366  0.0723161 53.6539      1.059    53.6539      1.059    53.6539      1.059    7.32427  0.0511253 ?        ?         
1 1 1 8  0  4  o 12.2409  0.116375  149.897      2.84849  149.897      2.84849  149.897      2.84849  12.242   0.0822736 ?        ?         
1 1 1 8  0  5  o 27.9636  0.273158  782.724      15.2737  782.724      15.2737  782.724      15.2737  27.9703  0.193085  ?        ?         
1 1 1 8  0  6  o 28.2983  0.264761  801.559      14.9816  801.559      14.9816  801.559      14.9816  28.305   0.187152  ?        ?         
1 1 1 8  0  7  o 25.0113  0.234547  626.091      11.7303  626.091      11.7303  626.091      11.7303  25.0165  0.165798  ?        ?         
1 1 1 8  0  8  f 17.8781  0.16933   319.814      6.05336  319.814      6.05336  319.814      6.05336  17.8807  0.119705  ?        ?         
1 1 1 8  0  9  o 60.4038  0.59057   3664.71      71.33    3664.71      71.33    3664.71      71.33    60.4698  0.417095  ?        ?         
1 1 1 8  0  10 o 7.31055  0.0854315 53.4709      1.24872  53.4709      1.24872  53.4709      1.24872  7.31147  0.0603923 ?        ?         
1 1 1 8  0  11 o 12.6281  0.156641  159.594      3.95479  159.594      3.95479  159.594      3.95479  12.6306  0.110721  ?        ?         
1 1 1 8  0  12 o 0.623233 0.321003  0.572091     0.50631  0.572091     0.50631  0.572091     0.50631  0.63165  0.275238  ?        ?         
1 1 1 8  0  13 o 3.58983  0.133565  12.9435      0.955935 12.9435      0.955935 12.9435      0.955935 3.59379  0.0941902 ?        ?         
1 1 1 8  0  14 o 8.59945  0.104796  73.9941      1.80177  73.9941      1.80177  73.9941      1.80177  8.60071  0.0740784 ?        ?         
1 1 1 8  0  15 o 1.52511  0.257209  2.51637      0.717496 2.51637      0.717496 2.51637      0.717496 1.55978  0.167011  ?        ?         
1 1 1 8  0  16 o 9.56605  0.108979  91.5576      2.08439  91.5576      2.08439  91.5576      2.08439  9.56731  0.0770385 ?        ?         
1 1 1 8  0  17 o 1.84978  0.218985  3.56481      0.784407 3.56481      0.784407 3.56481      0.784407 1.86991  0.150557  ?        ?         
1 1 1 8  0  18 o 1.43992  0.329038  2.37161      0.824246 2.37161      0.824246 2.37161      0.824246 1.50012  0.202465  ?        ?         
1 1 1 8  0  19 o 27.6923  0.262674  767.463      14.5452  767.463      14.5452  767.463      14.5452  27.6976  0.185684  ?        ?         
1 1 1 8  0  20 o 34.9717  0.329435  1224.35      23.0372  1224.35      23.0372  1224.35      23.0372  34.9811  0.23286   ?        ?         
1 1 1 8  0  21 o 3.40297  0.157998  11.6576      1.07005  11.6576      1.07005  11.6576      1.07005  3.40869  0.111255  ?        ?         
1 1 1 8  0  22 o 17.0544  0.171723  291.031      5.85593  291.031      5.85593  291.031      5.85593  17.057   0.121394  ?        ?         
1 1 1 8  0  23 o 14.4907  0.168281  210.133      4.87554  210.133      4.87554  210.133      4.87554  14.4933  0.118953  ?        ?         
1 1 1 8  0  24 o 12.4715  0.181135  155.706      4.51589  155.706      4.51589  155.706      4.51589  12.4748  0.128017  ?        ?         
1 1 1 8  0  25 f 2.16721  0.443063  5.25676      1.69765  5.25676      1.69765  5.25676      1.69765  2.24138  0.277364  ?        ?         
1 1 1 8  0  26 f 7.43252  0.14498   55.3314      2.15328  55.3314      2.15328  55.3314      2.15328  7.43551  0.102431  ?        ?         
1 1 1 8  0  27 o 13.8234  0.169915  191.328      4.69602  191.328      4.69602  191.328      4.69602  13.8278  0.12009   ?        ?         
1 1 1 8  0  28 o 0.936746 0.51734   1.24329      1.39038  1.24329      1.39038  1.24329      1.39038  0.913878 0.45182   ?        ?         
1 1 1 8  0  29 o 2.55848  0.276958  6.79567      1.37925  6.79567      1.37925  6.79567      1.37925  2.58368  0.191142  ?        ?         
1 1 1 8  0  30 o 5.36911  0.151397  28.9345      1.62281  28.9345      1.62281  28.9345      1.62281  5.3741   0.106858  ?        ?         
1 1 1 8  0  31 o 3.71362  0.190975  13.936       1.40985  13.936       1.40985  13.936       1.40985  3.72343  0.134267  ?        ?         
1 1 1 8  0  32 o 0.845529 0.482956  0.97261      1.26469  0.97261      1.26469  0.97261      1.26469  0.808521 0.424014  ?        ?         
1 1 1 8  0  33 f 1.15849  0.52393   1.99359      1.29727  1.99359      1.29727  1.99359      1.29727  1.23672  0.416186  ?        ?         
1 1 1 8  0  34 o 0.768571 0.464523  0.653501     1.28052  0.653501     1.28052  0.653501     1.28052  0.702223 0.405815  ?        ?         
1 1 1 8  0  35 o 2.96022  0.261933  9.05675      1.52283  9.05675      1.52283  9.05675      1.52283  2.98543  0.181889  ?        ?         
1 1 1 8  0  36 o 0.559706 0.389173  -1.0399      1.46376  -1.0399      1.46376  -1.0399      1.46376  0.439837 0.311219  ?        ?         
1 1 1 8  0  37 o 0.682671 0.450104  -0.0808205   1.51269  -0.0808205   1.51269  -0.0808205   1.51269  0.573991 0.378465  ?        ?         
1 1 1 8  0  38 o 0.577114 0.396936  -0.717669    1.41842  -0.717669    1.41842  -0.717669    1.41842  0.462982 0.321938  ?        ?         
1 1 1 8  0  39 o 0.594648 0.404972  -0.522164    1.40676  -0.522164    1.40676  -0.522164    1.40676  0.482831 0.332176  ?        ?         
1 1 1 8  0  40 o 0.585198 0.401356  -0.616853    1.42835  -0.616853    1.42835  -0.616853    1.42835  0.473249 0.328567  ?        ?         
1 1 1 8  0  41 o 0.474914 0.342484  -1.90151     1.44401  -1.90151     1.44401  -1.90151     1.44401  0.362317 0.265213  ?        ?         
1 1 1 8  0  42 o 1.21694  0.55693   2.43047      1.46767  2.43047      1.46767  2.43047      1.46767  1.34293  0.437952  ?        ?         
1 1 1 8  0  43 o 0.484002 0.346119  -1.4457      1.37849  -1.4457      1.37849  -1.4457      1.37849  0.376657 0.272708  ?        ?         
1 1 1 8  0  44 f 3.2949   0.237652  11.501       1.54735  11.501       1.54735  11.501       1.54735  3.34372  0.16452   ?        ?         
1 1 1 8  0  45 o 0.641268 0.432577  -0.00281375  1.55049  -0.00281375  1.55049  -0.00281375  1.55049  0.556736 0.372081  ?        ?         
1 1 1 8  0  46 o 0.51461  0.370162  -1.35236     1.64121  -1.35236     1.64121  -1.35236     1.64121  0.417424 0.301826  ?        ?         
1 1 1 8  0  47 o 0.630521 0.456094  -0.903889    2.66368  -0.903889    2.66368  -0.903889    2.66368  0.556064 0.399199  ?        ?         
1 1 1 8  0  48 o 0.64952  0.480243  -1.15225     3.83982  -1.15225     3.83982  -1.15225     3.83982  0.59384  0.434202  ?        ?         
1 1 1 8  1  0  f 14.3181  0.143712  205.101      4.11446  205.101      4.11446  205.101      4.11446  14.3197  0.101597  ?        ?         
1 1 1 8  1  1  o 11.9325  0.0822285 142.398      1.96238  141.465      2.79039  143.311      2.7603   11.8927  0.117316  11.97    0.1153    
1 1 1 8  1  2  o 4.59638  0.0361589 21.1271      0.3324   21.7135      0.480567 20.5892      0.460258 4.65968  0.0515666 4.53744  0.0507178 
1 1 1 8  1  3  o 20.9924  0.142127  440.826      5.96718  438.738      8.22316  443.148      8.67249  20.9394  0.196356  21.0437  0.20606   
1 1 1 8  1  4  o 27.2368  0.185944  742.289      10.129   737.997      13.7912  747.315      14.9252  27.1505  0.253977  27.3189  0.273165  
1 1 1 8  1  5  o 5.65631  0.0496521 31.9953      0.561696 29.8255      0.771881 34.4377      0.81892  5.46101  0.070672  5.86809  0.0697774 
1 1 1 8  1  6  o 17.9806  0.119777  323.394      4.3073   322.526      6.07745  324.27       6.10554  17.9538  0.169253  18.0022  0.169577  
1 1 1 8  1  7  o 28.9315  0.195569  837.713      11.3162  838.711      16.3783  836.802      15.6534  28.9354  0.283015  28.9046  0.270777  
1 1 1 8  1  8  o 31.4477  0.208171  989.925      13.093   988.044      18.4829  991.819      18.5498  31.4021  0.294294  31.4619  0.294798  
1 1 1 8  1  9  o 16.1717  0.111222  261.602      3.59732  262.993      5.00477  260.114      5.17421  16.2124  0.15435   16.1231  0.16046   
1 1 1 8  1  10 o 40.857   0.285608  1672.7       23.3382  1681.36      33.5676  1664.59      32.47    40.9179  0.410182  40.7181  0.398717  
1 1 1 8  1  11 o 15.9273  0.126465  253.786      4.0285   250.751      6.07623  256.166      5.38119  15.8275  0.191952  15.9993  0.16817   
1 1 1 8  1  12 o 11.3834  0.0909964 129.611      2.0717   132.057      2.97686  127.314      2.88495  11.489   0.129553  11.2808  0.12787   
1 1 1 8  1  13 o 5.98726  0.0727868 35.8527      0.871588 34.9243      1.19459  36.9094      1.27451  5.90883  0.101085  6.07437  0.104909  
1 1 1 8  1  14 o 5.99958  0.0623376 35.9985      0.747999 34.8576      1.03052  37.269       1.08744  5.90344  0.087281  6.1042   0.0890728 
1 1 1 8  1  15 o 6.97665  0.0723074 48.6798      1.00893  47.3911      1.45876  49.8615      1.39692  6.88317  0.105966  7.06042  0.098926  
1 1 1 8  1  16 o 9.73222  0.0785596 94.7296      1.52912  94.0699      2.22183  95.3232      2.10769  9.69747  0.114557  9.76203  0.107953  
1 1 1 8  1  17 o 4.94368  0.0735226 24.4423      0.726944 23.5516      0.994256 25.4653      1.06555  4.85254  0.102447  5.0458   0.105588  
1 1 1 8  1  18 o 8.81696  0.0782748 77.746       1.38029  78.8945      1.9067   76.4813      2.00075  8.88148  0.107341  8.74449  0.114401  
1 1 1 8  1  19 o 15.4111  0.11291   237.548      3.48015  235.174      4.82516  240.122      5.02424  15.3325  0.157351  15.4928  0.162148  
1 1 1 8  1  20 o 16.3853  0.116999  268.534      3.83412  272.551      5.55239  264.873      5.30089  16.5054  0.168199  16.2715  0.162888  
1 1 1 8  1  21 o 17.5981  0.123653  309.782      4.35211  313.959      6.22708  305.793      6.08501  17.7137  0.17577   17.4819  0.174037  
1 1 1 8  1  22 o 12.0545  0.0952805 145.338      2.29711  145.167      3.24936  145.509      3.24785  12.0462  0.134871  12.0604  0.134649  
1 1 1 8  1  23 o 5.18958  0.109882  26.9393      1.14049  25.629       1.61912  28.2297      1.60673  5.06099  0.159961  5.31174  0.151243  
1 1 1 8  1  24 o 3.60141  0.146034  12.9778      1.05186  12.4484      1.47598  13.5241      1.4994   3.52608  0.209295  3.67539  0.203978  
1 1 1 8  1  25 o 6.08757  0.128942  37.0791      1.56989  36.1367      2.24466  37.9815      2.19643  6.00786  0.18681   6.15963  0.178293  
1 1 1 8  1  26 o 9.92346  0.102284  98.5218      2.03002  98.9142      2.82203  98.101       2.92234  9.94098  0.141939  9.89966  0.147598  
1 1 1 8  1  27 o 5.81108  0.115383  33.7941      1.341    34.9584      1.91817  32.6811      1.87548  5.90816  0.162332  5.71238  0.164159  
1 1 1 8  1  28 o 2.772    0.179493  7.70157      0.995111 8.19361      1.40612  7.20788      1.40848  2.85624  0.24615   2.6781   0.262962  
1 1 1 8  1  29 o 3.57588  0.139946  12.8112      1.00086  12.9565      1.40884  12.663       1.42213  3.59288  0.19606   3.55166  0.200206  
1 1 1 8  1  30 o 0.913255 0.353954  0.542728     0.924109 1.78224      1.3051   -0.70358     1.30868  1.33589  0.430381  0.821124 0.371729  
1 1 1 8  1  31 f 4.28706  0.12202   18.4187      1.04621  18.5929      1.47102  18.2404      1.48827  4.30273  0.170941  4.26135  0.174624  
1 1 1 8  1  32 o 2.59981  0.177481  6.79726      0.922836 7.90172      1.3      5.67535      1.31024  2.79741  0.232358  2.366    0.276889  
1 1 1 8  1  33 o 3.88714  0.131002  15.1645      1.01844  15.8255      1.44383  14.5101      1.43679  3.9644   0.1821    3.79501  0.1893    
1 1 1 8  1  34 o 1.34657  0.347237  1.94051      0.940928 1.75049      1.31193  2.1418       1.35024  1.31159  0.431814  1.4216   0.434631  
1 1 1 8  1  35 o 0.772217 0.340041  -0.221057    1.01729  0.00170031   1.42718  -0.451137    1.45044  0.955699 0.411646  0.894598 0.398655  
1 1 1 8  1  36 o 0.558529 0.273731  -1.98105     1.03648  -1.76465     1.49001  -2.18394     1.44275  0.753017 0.359159  0.698555 0.337798  
1 1 1 8  1  37 o 2.91773  0.199582  8.64908      1.16465  8.12709      1.68125  9.13068      1.61489  2.80026  0.300196  2.97777  0.271158  
1 1 1 8  1  38 o 0.846857 0.355252  0.219365     1.01583  -0.100663    1.46333  0.517035     1.41129  0.935214 0.409842  1.02415  0.423481  
1 1 1 8  1  39 o 1.35019  0.369042  2.03836      1.0247   3.2401       1.46415  0.884666     1.43458  1.67672  0.433525  1.09148  0.43602   
1 1 1 8  1  40 o 1.01747  0.377564  0.977442     1.02225  1.19778      1.43313  0.749214     1.45857  1.14259  0.44121   1.05823  0.433003  
1 1 1 8  1  41 o 0.834275 0.354128  0.213865     1.02921  0.230447     1.45325  0.197178     1.4578   0.959395 0.414337  0.955339 0.413816  
1 1 1 8  1  42 o 1.1879   0.383865  1.64037      1.03766  -0.0923493   1.45414  3.43814      1.48119  0.894381 0.398843  1.66781  0.4383    
1 1 1 8  1  43 o 0.816699 0.347146  0.299224     0.991414 1.97223      1.41493  -1.3143      1.38955  1.25594  0.446654  0.719002 0.343864  
1 1 1 8  1  44 o 0.998588 0.368463  1.15267      0.970804 1.09962      1.37417  1.20554      1.37168  1.0256   0.420076  1.04578  0.422784  
1 1 1 8  1  45 o 0.686622 0.320909  -0.490471    1.08817  0.470221     1.4843   -1.6068      1.60003  0.90737  0.403843  0.71823  0.349458  
1 1 1 8  1  46 o 0.953537 0.394257  1.2476       1.22311  0.5756       1.7631   1.87104      1.6982   0.896056 0.414785  1.05912  0.452386  
1 1 1 8  1  47 o 0.8023   0.390576  0.126156     2.0044   1.01977      2.64936  -1.07        3.0652   0.884622 0.434855  0.814177 0.410408  
1 1 1 8  1  48 o 0.997725 0.486459  5.42151      3.15348  4.55589      5.4772   5.85072      3.85686  ?        ?         0.949627 0.474814  
1 1 1 8  2  0  o 13.2776  0.130569  176.369      3.46653  176.369      3.46653  176.369      3.46653  13.279   0.0923064 ?        ?         
1 1 1 8  2  1  o 24.7861  0.173035  614.631      8.5777   613.094      11.9631  616.258      12.3056  24.7493  0.241685  24.8125  0.247971  
1 1 1 8  2  2  o 19.9384  0.143111  397.671      5.70681  393.722      7.71723  402.436      8.47754  19.8363  0.194523  20.0535  0.211373  
1 1 1 8  2  3  o 26.0755  0.176283  680.29       9.19335  681.031      13.0187  679.553      12.9841  26.0826  0.249567  26.0543  0.249174  
1 1 1 8  2  4  o 21.3334  0.141346  455.278      6.03078  452.117      8.47018  458.529      8.58869  21.2553  0.199248  21.4054  0.20062   
1 1 1 8  2  5  o 7.93944  0.0575764 63.0386      0.914248 62.5457      1.25776  63.5908      1.33124  7.9081   0.0795239 7.97384  0.0834757 
1 1 1 8  2  6  o 31.5558  0.210795  996.673      13.3036  994.5        18.5753  998.961      19.0624  31.5073  0.294778  31.5765  0.301844  
1 1 1 8  2  7  o 20.9239  0.139144  437.992      5.82287  438.675      8.24939  437.315      8.22027  20.9356  0.197018  20.9032  0.196627  
1 1 1 8  2  8  o 11.7928  0.0828281 139.093      1.95356  138.82       2.757    139.368      2.76853  11.7803  0.117017  11.8036  0.117275  
1 1 1 8  2  9  o 16.2425  0.112944  263.899      3.66898  265.422      5.16087  262.343      5.21701  16.2868  0.158437  16.1919  0.161099  
1 1 1 8  2  10 o 17.9467  0.137216  322.237      4.92514  322.275      6.8758   322.196      7.05819  17.9437  0.191594  17.941   0.196705  
1 1 1 8  2  11 o 7.67971  0.0662208 58.9847      1.01711  57.8589      1.45736  60.0538      1.42019  7.60558  0.0958083 7.74858  0.0916422 
1 1 1 8  2  12 o 14.56    0.117007  212.074      3.40726  211.312      4.87224  212.803      4.76666  14.531   0.16765   14.5824  0.163439  
1 1 1 8  2  13 o 10.4756  0.0919749 109.764      1.92698  109.683      2.72867  109.845      2.72167  10.4705  0.130303  10.4782  0.129873  
1 1 1 8  2  14 o 9.59007  0.0770448 91.9835      1.47773  91.5923      2.04279  92.4128      2.14027  9.56897  0.10674   9.61161  0.111338  
1 1 1 8  2  15 o 8.93431  0.0785    79.8338      1.40269  79.4284      1.97444  80.247       1.9931   8.91092  0.110787  8.95671  0.111263  
1 1 1 8  2  16 o 13.2568  0.095922  175.78       2.54324  175.808      3.6399   175.753      3.55499  13.2564  0.137288  13.2545  0.134105  
1 1 1 8  2  17 o 10.8416  0.0846682 117.556      1.83588  116.43       2.5817   118.708      2.61122  10.7889  0.119646  10.8939  0.119848  
1 1 1 8  2  18 o 1.76732  0.164621  3.12468      0.581877 3.03514      0.807028 3.22163      0.839742 1.74147  0.231709  1.79415  0.234022  
1 1 1 8  2  19 o 6.87894  0.0759332 47.3238      1.04468  47.4225      1.42669  47.2098      1.53393  6.88584  0.103596  6.87029  0.111635  
1 1 1 8  2  20 f 7.5353   0.0773096 56.7861      1.1651   57.4275      1.65411  56.1544      1.64137  7.57737  0.109148  7.49291  0.109528  
1 1 1 8  2  21 o 13.9644  0.105443  195.045      2.94489  194.87       4.17163  195.219      4.15781  13.9566  0.14945   13.9691  0.148822  
1 1 1 8  2  22 o 6.52638  0.0854594 42.6002      1.11548  42.4998      1.59334  42.6968      1.56218  6.51815  0.122224  6.53329  0.119555  
1 1 1 8  2  23 o 9.66421  0.0999335 93.419       1.93156  93.561       2.73092  93.277       2.73235  9.6704   0.1412    9.6557   0.141489  
1 1 1 8  2  24 o 10.2092  0.0985001 104.256      2.01122  108.082      2.9365   100.875      2.76025  10.3934  0.141268  10.041   0.137449  
1 1 1 8  2  25 o 6.29351  0.120463  39.6278      1.51627  39.5833      2.14477  39.6723      2.14389  6.2884   0.170534  6.29547  0.170272  
1 1 1 8  2  26 o 13.7212  0.114681  188.385      3.14711  186.976      4.3786   189.89       4.52645  13.6658  0.160203  13.7714  0.164342  
1 1 1 8  2  27 o 3.03106  0.184752  9.20536      1.11999  7.91823      1.55884  10.5787      1.61023  2.80773  0.277598  3.24677  0.247974  
1 1 1 8  2  28 o 2.71789  0.181208  7.40441      0.985006 9.28399      1.42387  5.67937      1.36407  3.04089  0.23412   2.37601  0.287051  
1 1 1 8  2  29 o 2.50931  0.189317  6.31894      0.950109 5.83848      1.33775  6.80799      1.34965  2.40718  0.277866  2.60063  0.259485  
1 1 1 8  2  30 o 4.65421  0.116088  21.6966      1.08059  19.4251      1.51355  24.0581      1.54326  4.39959  0.17201   4.89762  0.157552  
1 1 1 8  2  31 o 5.12333  0.108559  26.294       1.11237  25.6415      1.56834  26.9546      1.57795  5.05473  0.155136  5.18288  0.152227  
1 1 1 8  2  32 o 3.81774  0.128863  14.6191      0.98393  13.2069      1.38262  16.0681      1.40053  3.62214  0.190856  3.99735  0.175183  
1 1 1 8  2  33 o 3.74354  0.133529  14.0671      0.999745 14.1691      1.42484  13.9682      1.40312  3.74998  0.189979  3.72352  0.188413  
1 1 1 8  2  34 o 3.381    0.15499   11.5042      1.04804  10.5645      1.50136  12.3973      1.46366  3.22734  0.232601  3.50084  0.209044  
1 1 1 8  2  35 o 4.56628  0.131122  20.9634      1.19748  19.694       1.69667  22.2234      1.69034  4.41207  0.192276  4.69014  0.180201  
1 1 1 8  2  36 o 3.98166  0.152569  15.9859      1.21495  14.8157      1.68533  17.2521      1.75308  3.81561  0.220847  4.11998  0.212754  
1 1 1 8  2  37 o 2.06306  0.276316  4.38679      1.14011  4.31966      1.64512  4.44883      1.58149  1.97247  0.428994  2.01193  0.407254  
1 1 1 8  2  38 o 1.96679  0.260634  4.00233      1.02522  5.04011      1.49544  3.08203      1.40826  2.18044  0.342922  1.65049  0.424331  
1 1 1 8  2  39 o 3.49328  0.162181  12.3963      1.13309  11.0055      1.58401  13.8537      1.6215   3.25976  0.242964  3.66825  0.221019  
1 1 1 8  2  40 o 2.40022  0.219392  5.96354      1.05318  5.81369      1.4827   6.11614      1.49622  2.32673  0.318624  2.38931  0.313107  
1 1 1 8  2  41 o 2.37626  0.222795  5.87415      1.05884  5.83917      1.49863  5.90901      1.49621  2.32028  0.322943  2.33559  0.320306  
1 1 1 8  2  42 o 1.22756  0.381905  1.77235      1.03641  0.775195     1.4596   2.78634      1.47187  1.03367  0.429239  1.49139  0.45335   
1 1 1 8  2  43 o 1.47092  0.348837  2.57377      1.012    2.68265      1.43291  2.46542      1.42947  1.43443  0.449616  1.37822  0.450743  
1 1 1 8  2  44 o 0.838192 0.351009  0.494354     0.988855 -0.436188    1.40375  1.41099      1.39322  0.796372 0.369203  1.08754  0.431176  
1 1 1 8  2  45 o 1.05836  0.391943  1.46252      1.10048  1.82733      1.51637  1.05657      1.59959  1.13599  0.450005  1.00517  0.43441   
1 1 1 8  2  46 o 0.600952 0.29602   -1.56204     1.2409   -0.637896    1.74953  -2.49761     1.76032  0.782155 0.376889  0.664825 0.331172  
1 1 1 8  2  47 o 0.781706 0.381816  -0.106843    1.9734   -1.75504     2.5693   2.26426      3.08166  0.7538   0.379304  0.942515 0.464236  
1 1 1 8  2  48 o 0.910194 0.449882  3.6306       3.01698  0.493992     5.02196  5.40192      3.7739   ?        ?         0.925218 0.464996  
1 1 1 8  3  0  o 26.1713  0.268604  685.546      14.0561  685.546      14.0561  685.546      14.0561  26.177   0.189868  ?        ?         
1 1 1 8  3  1  o 25.3556  0.179204  643.238      9.08763  641.064      12.8132  645.438      12.8909  25.3058  0.253167  25.3919  0.253837  
1 1 1 8  3  2  o 21.9088  0.155151  480.19       6.79835  479.235      9.59873  481.151      9.62998  21.8824  0.219325  21.9261  0.219601  
1 1 1 8  3  3  o 11.9885  0.086405  143.742      2.07172  140.712      2.80606  147.372      3.07165  11.8607  0.118292  12.138   0.126531  
1 1 1 8  3  4  o 17.3564  0.116698  301.321      4.05091  300.853      5.65887  301.813      5.80149  17.3407  0.163167  17.3682  0.167015  
1 1 1 8  3  5  o 8.08025  0.0571575 65.2947      0.923695 66.3703      1.32394  64.2746      1.28935  8.14626  0.0812605 8.01662  0.0804174 
1 1 1 8  3  6  o 29.9333  0.197915  896.735      11.8485  891.834      16.6687  901.741      16.8454  29.839   0.27931   30.004   0.280719  
1 1 1 8  3  7  o 8.35266  0.0637659 69.7732      1.06523  68.6376      1.46713  71.0392      1.54913  8.28406  0.0885515 8.42768  0.0919074 
1 1 1 8  3  8  o 28.1225  0.188293  791.522      10.5905  791          14.8103  792.069      15.15    28.1019  0.26351   28.1199  0.269382  
1 1 1 8  3  9  o 6.91935  0.0555836 47.881       0.769205 48.0116      1.07683  47.7449      1.09915  6.92853  0.0777102 6.90924  0.079542  
1 1 1 8  3  10 o 15.411   0.122255  237.59       3.76816  237.236      5.39794  237.927      5.2626   15.3964  0.175299  15.4192  0.170651  
1 1 1 8  3  11 o 6.38199  0.0596108 40.7336      0.76087  40.8784      1.10795  40.6044      1.04672  6.39298  0.0866536 6.37159  0.08214   
1 1 1 8  3  12 o 11.7318  0.100353  137.672      2.35462  137.743      3.28291  137.597      3.37905  11.7332  0.139898  11.7268  0.144073  
1 1 1 8  3  13 o 6.82691  0.0683822 46.6127      0.933679 46.6904      1.34074  46.5395      1.301    6.83213  0.0981202 6.82114  0.0953652 
1 1 1 8  3  14 o 11.4817  0.0871639 131.856      2.00159  131.78       2.89625  131.926      2.76936  11.4772  0.126174  11.4837  0.120577  
1 1 1 8  3  15 o 1.59627  0.161339  2.54968      0.515082 1.80646      0.72631  3.30166      0.730582 1.31712  0.283825  1.81615  0.201135  
1 1 1 8  3  16 f 13.0299  0.0956719 169.813      2.4932   170.566      3.54298  169.074      3.5091   13.0575  0.135669  13.0003  0.134963  
1 1 1 8  3  17 o 17.3937  0.120028  302.615      4.17547  299.265      5.84892  306.095      5.96274  17.295   0.169093  17.4911  0.17045   
1 1 1 8  3  18 o 19.2785  0.135088  371.761      5.2086   372.893      7.38346  370.639      7.3488   19.3052  0.19123   19.2468  0.19091   
1 1 1 8  3  19 o 10.9396  0.0861377 119.688      1.88462  120.226      2.64466  119.133      2.68634  10.9635  0.120612  10.9135  0.123074  
1 1 1 8  3  20 o 9.41073  0.0809728 88.571       1.52403  88.9609      2.15215  88.1789      2.15847  9.43091  0.114101  9.38935  0.114942  
1 1 1 8  3  21 o 19.0009  0.133476  361.158      5.07233  357.218      7.03455  365.426      7.32071  18.8938  0.18616   19.1093  0.191549  
1 1 1 8  3  22 f 4.93073  0.0984834 24.3172      0.97119  25.0894      1.36174  23.5178      1.38551  5.00794  0.135958  4.84845  0.142882  
1 1 1 8  3  23 o 8.71854  0.100738  76.0315      1.75658  76.9398      2.49791  75.1428      2.47068  8.76939  0.142422  8.66637  0.142544  
1 1 1 8  3  24 o 2.67898  0.18639   7.18398      0.998669 7.12203      1.42201  7.24426      1.40285  2.66601  0.266692  2.68891  0.260859  
1 1 1 8  3  25 o 5.53908  0.126474  30.6986      1.4011   29.9727      1.97248  31.4378      1.99055  5.47162  0.180247  5.60384  0.177605  
1 1 1 8  3  26 o 8.31433  0.103539  69.1627      1.72171  70.0478      2.45616  68.3076      2.41411  8.36521  0.146808  8.26069  0.14612   
1 1 1 8  3  27 o 12.8537  0.111795  165.337      2.87396  164.066      4.09576  166.569      4.03374  12.7993  0.16      12.897   0.156383  
1 1 1 8  3  28 o 4.12359  0.130295  17.0252      1.07456  18.2385      1.51882  15.8091      1.52051  4.26564  0.178029  3.97066  0.191467  
1 1 1 8  3  29 o 5.1778   0.107977  26.8414      1.11816  25.9063      1.57222  27.7984      1.59058  5.08372  0.154633  5.26638  0.151013  
1 1 1 8  3  30 o 1.08805  0.365211  1.1315       0.938435 0.13561      1.32932  2.1209       1.32499  0.962628 0.40522   1.43184  0.429115  
1 1 1 8  3  31 o 0.831911 0.341592  0.240501     0.910914 0.321573     1.294    0.160861     1.28253  0.983967 0.406101  0.949292 0.39874   
1 1 1 8  3  32 o 2.80552  0.167713  7.9116       0.941041 6.06168      1.31198  9.87178      1.35052  2.4459   0.268201  3.12855  0.215838  
1 1 1 8  3  33 o 3.39282  0.143939  11.5624      0.97672  11.9491      1.38547  11.1803      1.37715  3.44192  0.201263  3.32855  0.20687   
1 1 1 8  3  34 o 0.706087 0.319256  -0.480189    0.962346 -0.0666535   1.38027  -0.871374    1.34245  0.933138 0.403409  0.803113 0.367799  
1 1 1 8  3  35 o 3.29051  0.162011  10.9175      1.0662   9.55344      1.47382  12.4151      1.54432  3.06262  0.240614  3.49633  0.220849  
1 1 1 8  3  36 o 2.96562  0.196264  8.91616      1.16409  6.44926      1.58823  11.7798      1.71118  2.49426  0.318377  3.39341  0.252133  
1 1 1 8  3  37 o 2.55148  0.219331  6.63622      1.11924  8.23985      1.56231  4.94546      1.6042   2.82688  0.276332  2.13015  0.391159  
1 1 1 8  3  38 o 0.797921 0.344517  -0.000690156 1.00427  -0.44483     1.44688  0.412201     1.39505  0.879163 0.394792  0.999552 0.417639  
1 1 1 8  3  39 o 0.930854 0.369475  0.606369     1.02408  0.814548     1.43245  0.388741     1.4646   1.07603  0.433271  1.00549  0.424401  
1 1 1 8  3  40 o 1.52089  0.347802  2.60457      1.03541  1.96116      1.45894  3.25752      1.46971  1.31975  0.455068  1.66095  0.436644  
1 1 1 8  3  41 o 1.79826  0.285734  3.45156      1.02765  3.09613      1.45652  3.80388      1.45013  1.60573  0.440469  1.8001   0.41157   
1 1 1 8  3  42 o 0.848345 0.357849  0.330991     1.04022  -0.789765    1.43342  1.57784      1.5119   0.798177 0.371208  1.19714  0.455579  
1 1 1 8  3  43 o 0.956448 0.369564  0.899418     1.00581  2.12477      1.41432  -0.354465    1.43069  1.29087  0.447771  0.835401 0.381378  
1 1 1 8  3  44 o 0.930889 0.368433  0.883911     1.01563  1.54179      1.41312  0.180986     1.4607   1.11304  0.436395  0.886048 0.397307  
1 1 1 8  3  45 o 0.994639 0.383107  1.22732      1.0791   1.58348      1.5109   0.856489     1.54171  1.08483  0.441763  0.965879 0.421996  
1 1 1 8  3  46 o 0.657906 0.318174  -0.985072    1.28124  0.179153     1.77897  -2.2398      1.84683  0.855834 0.402206  0.69449  0.345009  
1 1 1 8  3  47 o 0.740056 0.361977  -0.449438    1.79003  0.43153      2.53026  -1.33211     2.5327   0.844131 0.415967  0.765362 0.383049  
1 1 1 8  3  48 o 0.783453 0.39161   0.736706     2.5667   2.26771      4.25884  -0.136569    3.21647  ?        ?         0.765073 0.389963  
1 1 1 8  4  0  f 18.8452  0.184823  355.346      6.96456  355.346      6.96456  355.346      6.96456  18.8479  0.130657  ?        ?         
1 1 1 8  4  1  o 21.0014  0.152427  441.231      6.40234  440.057      9.26861  442.303      8.85415  20.9687  0.221011  21.0229  0.210583  
1 1 1 8  4  2  o 21.6229  0.155174  467.748      6.71063  466.021      9.57514  469.415      9.4076   21.5781  0.221872  21.6569  0.217197  
1 1 1 8  4  3  o 16.6264  0.115689  276.504      3.847    277.532      5.58793  275.578      5.30411  16.6549  0.167756  16.5966  0.159795  
1 1 1 8  4  4  o 14.9801  0.100187  224.447      3.00163  225.231      4.25917  223.673      4.23088  15.0048  0.141927  14.9528  0.141474  
1 1 1 8  4  5  o 15.4907  0.10587   240.016      3.28     243.018      4.59411  236.895      4.68444  15.5856  0.147383  15.3877  0.152214  
1 1 1 8  4  6  o 19.2309  0.128259  369.958      4.93306  376.283      7.08142  363.994      6.87592  19.3911  0.182595  19.0719  0.180263  
1 1 1 8  4  7  o 17.6816  0.118212  312.738      4.18035  314.612      5.94609  310.905      5.87832  17.7317  0.167669  17.627   0.166742  
1 1 1 8  4  8  o 19.5491  0.13327   382.326      5.21063  382.104      7.20931  382.57       7.53968  19.5396  0.18448   19.5508  0.192823  
1 1 1 8  4  9  o 4.64898  0.0555227 21.6146      0.516247 21.3166      0.723455 21.9238      0.736897 4.61664  0.078353  4.68192  0.078696  
1 1 1 8  4  10 o 7.95766  0.0709801 63.3326      1.12967  61.4303      1.53856  65.5576      1.664    7.83678  0.0981627 8.09566  0.102771  
1 1 1 8  4  11 o 4.46886  0.0573393 19.9724      0.512482 19.9382      0.738606 20.0042      0.711663 4.46481  0.0827141 4.47223  0.0795647 
1 1 1 8  4  12 o 9.66318  0.0905476 93.3981      1.74996  92.8586      2.46313  93.948       2.48667  9.63414  0.127833  9.69047  0.128305  
1 1 1 8  4  13 o 10.425   0.084355  108.702      1.7588   108.756      2.55525  108.652      2.42453  10.4265  0.122536  10.4217  0.116321  
1 1 1 8  4  14 o 5.97969  0.0666658 35.7607      0.797282 35.1387      1.09593  36.46        1.16202  5.92714  0.0924502 6.0375   0.0962338 
1 1 1 8  4  15 o 12.1087  0.0916754 146.649      2.22013  145.901      3.12868  147.408      3.15093  12.0765  0.129536  12.1387  0.129788  
1 1 1 8  4  16 o 2.52743  0.109817  6.3895       0.555107 6.71207      0.808886 6.10234      0.763185 2.5901   0.15615   2.46967  0.154512  
1 1 1 8  4  17 o 6.7418   0.0719454 45.4558      0.970083 45.0609      1.37092  45.8519      1.37289  6.71215  0.102123  6.77081  0.101383  
1 1 1 8  4  18 o 7.79776  0.0772882 60.8103      1.20535  61.1624      1.70253  60.4566      1.70672  7.81995  0.108858  7.77469  0.109761  
1 1 1 8  4  19 o 7.41115  0.076223  54.9299      1.1298   55.3908      1.58659  54.4557      1.6092   7.44186  0.106599  7.37874  0.109043  
1 1 1 8  4  20 o 5.70646  0.0792345 32.567       0.904297 32.7823      1.29022  32.3591      1.26782  5.72498  0.112683  5.68792  0.111448  
1 1 1 8  4  21 o 6.99673  0.079279  48.9603      1.10939  49.7915      1.57646  48.1449      1.56147  7.05543  0.11172   6.93778  0.112534  
1 1 1 8  4  22 o 11.1355  0.0928894 124.021      2.06873  124.97       2.90712  123.048      2.9445   11.177   0.130049  11.0906  0.132748  
1 1 1 8  4  23 o 7.39876  0.104446  54.7562      1.54554  55.6571      2.19296  53.867       2.17857  7.45839  0.147013  7.33743  0.148456  
1 1 1 8  4  24 o 2.17527  0.230532  4.73904      1.00294  4.18875      1.40657  5.3082       1.43047  2.01184  0.362831  2.30074  0.310873  
1 1 1 8  4  25 o 4.01538  0.15273   16.1368      1.22654  15.9951      1.72737  16.2809      1.74189  3.99601  0.216137  4.03156  0.216032  
1 1 1 8  4  26 o 10.9096  0.11085   119.088      2.41864  115.631      3.27202  123.253      3.59117  10.7472  0.152226  11.095   0.161838  
1 1 1 8  4  27 o 7.50992  0.101205  56.4332      1.52009  57.496       2.20308  55.4675      2.10008  7.57784  0.145363  7.44324  0.141073  
1 1 1 8  4  28 o 7.50027  0.0967333 56.2935      1.45105  56.9482      2.06279  55.6522      2.04157  7.54106  0.13677   7.45474  0.136931  
1 1 1 8  4  29 o 4.39312  0.118006  19.3273      1.03683  18.8723      1.46397  19.7852      1.46863  4.3379   0.168742  4.44184  0.165317  
1 1 1 8  4  30 o 6.0294   0.100842  36.3995      1.21603  35.4421      1.72113  37.3537      1.71833  5.94561  0.144739  6.10426  0.140748  
1 1 1 8  4  31 o 6.52323  0.0981122 42.6141      1.28002  42.64        1.81981  42.5888      1.80077  6.52028  0.13955   6.51656  0.138169  
1 1 1 8  4  32 o 1.34486  0.331982  1.91813      0.888716 2.53821      1.2526   1.28958      1.26111  1.54159  0.402109  1.1902   0.421838  
1 1 1 8  4  33 o 1.3707   0.328799  1.99836      0.891145 1.25284      1.25361  2.75993      1.26703  1.17657  0.420222  1.60313  0.396798  
1 1 1 8  4  34 o 2.2313   0.227472  5.04946      1.01512  4.52525      1.44523  5.55991      1.42615  2.09359  0.345155  2.32841  0.306249  
1 1 1 8  4  35 o 0.816777 0.342639  0.153425     0.945003 -0.0229741   1.31475  0.341962     1.35923  0.914345 0.394481  0.99343  0.413478  
1 1 1 8  4  36 o 1.11848  0.397941  1.17713      1.12324  0.656277     1.58213  1.70646      1.59494  1.10793  0.45176   1.32512  0.473919  
1 1 1 8  4  37 o 0.842681 0.357005  0.126566     1.0427   3.37348      1.461    -3.24414     1.48859  1.74105  0.423123  0.63616  0.314815  
1 1 1 8  4  38 o 1.1621   0.380516  1.42873      1.01874  1.57314      1.45859  1.2912       1.42348  1.254    0.452736  1.18403  0.44431   
1 1 1 8  4  39 o 1.18222  0.390591  1.5025       1.0734   1.14187      1.49001  1.89157      1.54766  1.15261  0.448885  1.32556  0.467564  
1 1 1 8  4  40 o 0.81489  0.350318  0.0995194    1.02991  -0.000795287 1.4407   0.20436      1.47285  0.925178 0.406044  0.965366 0.417022  
1 1 1 8  4  41 o 0.903948 0.365062  0.557501     1.0212   0.0495072    1.44187  1.06879      1.44654  0.925518 0.406201  1.10595  0.439074  
1 1 1 8  4  42 o 1.45404  0.358011  2.48381      1.03556  2.32472      1.45425  2.64747      1.47498  1.36777  0.454633  1.44939  0.456541  
1 1 1 8  4  43 o 2.11334  0.242516  4.80358      1.02503  5.30721      1.44365  4.29153      1.45566  2.15302  0.335262  1.86319  0.402078  
1 1 1 8  4  44 o 0.843511 0.354919  0.500245     1.01902  0.0270717    1.41416  1.01129      1.46967  0.853505 0.386403  1.01403  0.42643   
1 1 1 8  4  45 o 1.07027  0.389243  1.52994      1.07989  1.6053       1.5428   1.45755      1.51204  1.0851   0.444885  1.05784  0.43793   
1 1 1 8  4  46 o 0.768897 0.355057  0.062378     1.28175  0.610778     1.7601   -0.556796    1.87023  0.89673  0.414842  0.804724 0.388232  
1 1 1 8  4  47 o 0.753426 0.367628  -0.245303    1.81361  -1.02386     2.58615  0.508104     2.54403  0.778335 0.389168  0.844598 0.416412  
1 1 1 8  4  48 o 0.811358 0.400762  1.61551      2.38408  0.456811     3.66536  2.46518      3.13876  ?        ?         0.825924 0.416118  
1 1 1 8  5  0  o 24.9495  0.244356  622.985      12.1905  622.985      12.1905  622.985      12.1905  24.9545  0.172733  ?        ?         
1 1 1 8  5  1  o 7.26446  0.0571663 52.7755      0.830564 52.7128      1.17274  52.8385      1.17645  7.25993  0.0807683 7.26858  0.0809274 
1 1 1 8  5  2  o 26.1473  0.187647  684.118      9.81292  685.661      13.7407  682.512      14.0187  26.1684  0.262543  26.1075  0.26848   
1 1 1 8  5  3  o 38.9764  0.282449  1521.45      22.0177  1524         31.9907  1519.15      30.3496  38.9753  0.410397  38.9194  0.389903  
1 1 1 8  5  4  o 12.9293  0.087939  167.193      2.27398  166.828      3.17489  167.578      3.25854  12.9142  0.122922  12.9431  0.125879  
1 1 1 8  5  5  o 15.5428  0.104229  241.634      3.24003  240.703      4.56541  242.58       4.59895  15.5111  0.147166  15.5714  0.147673  
1 1 1 8  5  6  o 12.6939  0.086103  161.162      2.18597  165.007      3.15704  157.621      3.02975  12.8434  0.122906  12.5527  0.120681  
1 1 1 8  5  7  o 24.262   0.164474  589.009      7.98095  590.907      11.0828  586.965      11.5024  24.294   0.228097  24.2116  0.23754   
1 1 1 8  5  8  o 25.2252  0.171039  636.753      8.62896  631.956      11.8582  642.151      12.5801  25.1219  0.236014  25.3219  0.248404  
1 1 1 8  5  9  o 14.5696  0.100008  212.325      2.91415  214.787      4.11983  209.861      4.12264  14.652   0.14059   14.4829  0.142328  
1 1 1 8  5  10 o 10.4791  0.0869544 109.832      1.8224   108.556      2.51489  111.244      2.64452  10.417   0.12071   10.545   0.125391  
1 1 1 8  5  11 o 5.00955  0.0588231 25.0979      0.589355 25.208       0.841216 24.9918      0.825941 5.02028  0.0837818 4.99872  0.0826153 
1 1 1 8  5  12 o 17.9719  0.146601  323.182      5.26941  325.745      7.39459  320.537      7.51092  18.0379  0.204974  17.8926  0.209889  
1 1 1 8  5  13 f 2.83841  0.0848944 8.05811      0.48193  7.97841      0.684714 8.13636      0.678433 2.82405  0.121229  2.85189  0.118945  
1 1 1 8  5  14 o 9.45799  0.0807608 89.4681      1.52767  88.5542      2.2078   90.3077      2.11602  9.40869  0.117328  9.50155  0.111351  
1 1 1 8  5  15 o 4.08428  0.0722336 16.6834      0.590045 17.056       0.859841 16.3519      0.811182 4.12935  0.104113  4.04325  0.100313  
1 1 1 8  5  16 o 2.67909  0.10383   7.17909      0.556339 7.49765      0.793386 6.87091      0.78034  2.7376   0.144905  2.62065  0.148883  
1 1 1 8  5  17 o 10.7993  0.0846334 116.638      1.82796  116.551      2.58533  116.725      2.58493  10.7946  0.119751  10.8026  0.119643  
1 1 1 8  5  18 o 13.9991  0.105329  196.007      2.94903  196.145      4.1681   195.868      4.17301  14.0029  0.14883   13.993   0.149111  
1 1 1 8  5  19 o 11.1664  0.0907565 124.703      2.02684  125.338      2.87899  124.08       2.85395  11.194   0.128595  11.1377  0.128121  
1 1 1 8  5  20 o 11.9561  0.0927723 142.968      2.21838  143.639      3.1165   142.279      3.15846  11.9832  0.130036  11.9263  0.132416  
1 1 1 8  5  21 o 11.3379  0.0912997 128.57       2.0703   128.388      2.95417  128.746      2.90221  11.3289  0.130382  11.3447  0.12791   
1 1 1 8  5  22 o 21.4504  0.147998  460.338      6.34922  461.068      8.99422  459.614      8.96417  21.4622  0.209536  21.4284  0.209166  
1 1 1 8  5  23 o 10.824   0.106407  117.191      2.30348  120.395      3.36027  114.351      3.16382  10.9692  0.153168  10.6906  0.147972  
1 1 1 8  5  24 o 4.90416  0.120687  24.061       1.18373  21.8246      1.69402  26.195       1.65477  4.66942  0.181395  5.11613  0.161721  
1 1 1 8  5  25 o 8.52101  0.104472  72.637       1.78042  72.6673      2.55593  72.6084      2.48151  8.52093  0.149979  8.51768  0.145668  
1 1 1 8  5  26 f 11.1999  0.113248  125.515      2.53672  124.959      3.51811  126.118      3.6611   11.1717  0.157456  11.2229  0.163108  
1 1 1 8  5  27 o 4.00094  0.13535   16.0253      1.08305  16.0209      1.55153  16.0295      1.51255  3.99803  0.194037  3.99933  0.1891    
1 1 1 8  5  28 o 7.57268  0.0989298 57.3886      1.49833  57.8713      2.12738  56.9136      2.11064  7.60154  0.139931  7.53837  0.139993  
1 1 1 8  5  29 o 1.60855  0.297344  2.69343      0.920598 2.48758      1.30111  2.89979      1.30273  1.53734  0.413921  1.65656  0.397651  
1 1 1 8  5  30 o 5.2075   0.107499  27.1577      1.1196   28.6116      1.59435  25.7433      1.57258  5.34145  0.149243  5.06605  0.155207  
1 1 1 8  5  31 o 2.79466  0.172959  7.84584      0.966721 8.35911      1.35933  7.32058      1.3751   2.87883  0.236091  2.69211  0.255395  
1 1 1 8  5  32 o 5.17423  0.10769   26.8315      1.11443  26.0464      1.56271  27.6439      1.58971  5.09222  0.153441  5.24635  0.151507  
1 1 1 8  5  33 o 3.47751  0.139298  12.145       0.968822 13.2404      1.37275  11.0581      1.36751  3.62445  0.189373  3.30985  0.206582  
1 1 1 8  5  34 o 5.72408  0.11643   32.8885      1.33291  33.2989      1.89437  32.486       1.87581  5.74907  0.164754  5.67836  0.165172  
1 1 1 8  5  35 o 0.73139  0.320885  -0.172558    0.899139 -1.02786     1.27484  0.674044     1.26834  0.754714 0.350639  1.03328  0.410851  
1 1 1 8  5  36 o 0.995452 0.39008   0.68764      1.12877  0.198391     1.57043  1.21054      1.62353  1.02604  0.436543  1.22266  0.470129  
1 1 1 8  5  37 o 0.978878 0.373408  0.757956     1.01769  1.50112      1.44194  0.0203442    1.43654  1.24746  0.450168  0.952688 0.411701  
1 1 1 8  5  38 o 2.7406   0.196844  7.66606      1.07894  7.87909      1.54575  7.46365      1.50671  2.74948  0.281098  2.67585  0.281539  
1 1 1 8  5  39 o 0.779167 0.345667  -0.230239    1.07745  -0.735637    1.53539  0.260124     1.51238  0.862792 0.394383  0.995317 0.426082  
1 1 1 8  5  40 o 2.0919   0.255317  4.58915      1.06819  4.58055      1.53215  4.59729      1.49004  2.00068  0.397018  2.01209  0.384033  
1 1 1 8  5  41 o 1.01069  0.377563  0.985544     1.02565  2.41193      1.46722  -0.377552    1.4343   1.41751  0.456294  0.860811 0.389457  
1 1 1 8  5  42 o 1.00291  0.377342  1.01329      1.02805  0.691822     1.45394  1.3347       1.45382  1.01217  0.424823  1.13497  0.443116  
1 1 1 8  5  43 o 1.25424  0.373314  1.91848      1.00512  2.35011      1.42006  1.48513      1.42287  1.34352  0.449256  1.13897  0.439666  
1 1 1 8  5  44 o 0.681706 0.317032  -0.4991      1.04546  0.510993     1.5039   -1.44374     1.45435  0.936843 0.412913  0.704633 0.340463  
1 1 1 8  5  45 f 0.787728 0.345834  0.298541     1.04582  0.428364     1.47507  0.16732      1.48299  0.887638 0.398608  0.855471 0.389886  
1 1 1 8  5  46 o 0.6945   0.334309  -0.795283    1.3679   0.110989     1.87434  -1.82803     2.00086  0.858836 0.406721  0.742269 0.366758  
1 1 1 8  5  47 o 0.934818 0.426327  1.85573      1.77945  0.069872     2.55468  3.53874      2.48003  0.819327 0.406853  1.03825  0.484947  
1 1 1 8  5  48 o 0.747387 0.375848  0.511458     2.46948  -0.105836    3.90059  0.924399     3.19027  ?        ?         0.764128 0.389242  
1 1 1 8  6  0  o 41.2637  0.404008  1705.74      33.3345  1705.74      33.3345  1705.74      33.3345  41.2818  0.28552   ?        ?         
1 1 1 8  6  1  o 2.89371  0.0371904 8.37379      0.215237 8.44363      0.303809 8.30341      0.304975 2.90572  0.0522778 2.88149  0.0529198 
1 1 1 8  6  2  o 23.7432  0.172486  564.056      8.19074  565.393      11.6129  562.733      11.5543  23.7643  0.244334  23.7084  0.243675  
1 1 1 8  6  3  o 9.22252  0.0726673 85.0637      1.34035  86.4044      1.9489   83.8604      1.84634  9.29438  0.104843  9.1566   0.10082   
1 1 1 8  6  4  o 6.83613  0.0521976 46.7352      0.713659 45.7728      0.991496 47.7699      1.02803  6.76519  0.0732793 6.91118  0.0743742 
1 1 1 8  6  5  o 12.6714  0.0877601 160.59       2.22409  159.274      3.19462  161.829      3.09825  12.6182  0.126588  12.7192  0.121795  
1 1 1 8  6  6  o 13.5649  0.0917211 184.041      2.48838  185.561      3.54417  182.563      3.49455  13.6195  0.130114  13.5091  0.129341  
1 1 1 8  6  7  o 8.25517  0.0621839 68.154       1.02668  66.9439      1.41444  69.5015      1.49259  8.18121  0.0864445 8.33598  0.0895272 
1 1 1 8  6  8  o 11.93    0.0848661 142.35       2.02491  141.025      2.75136  143.916      2.99092  11.8734  0.115862  11.9942  0.124682  
1 1 1 8  6  9  o 12.1758  0.0932072 148.282      2.26974  147.9        3.16025  148.689      3.26196  12.1588  0.129957  12.191   0.133785  
1 1 1 8  6  10 o 13.6219  0.0987764 185.604      2.69105  182.063      3.69751  189.592      3.92402  13.4897  0.137049  13.7656  0.14253   
1 1 1 8  6  11 o 13.639   0.112104  186.086      3.05799  183.331      4.27117  188.984      4.38019  13.5354  0.157778  13.7424  0.159368  
1 1 1 8  6  12 f 18.5483  0.144606  344.24       5.36438  341.717      7.53644  346.832      7.63731  18.4748  0.203965  18.6124  0.205167  
1 1 1 8  6  13 o 4.62935  0.0657708 21.4334      0.608953 21.1474      0.858952 21.7223      0.863443 4.5981   0.093403  4.66019  0.0926403 
1 1 1 8  6  14 f 12.9044  0.0995293 166.563      2.56872  165.355      3.65783  167.739      3.60812  12.8558  0.142264  12.9483  0.139329  
1 1 1 8  6  15 o 3.76649  0.0754755 14.1884      0.568556 14.4837      0.832889 13.9306      0.77803  3.80521  0.109441  3.73189  0.104241  
1 1 1 8  6  16 o 32.3633  0.227602  1048.42      14.7319  1039.07      20.8997  1057.65      20.7689  32.2016  0.324514  32.4893  0.319628  
1 1 1 8  6  17 o 12.4122  0.0914725 154.083      2.27075  156.823      3.26058  151.503      3.16424  12.5212  0.130202  12.307   0.128555  
1 1 1 8  6  18 o 15.9264  0.113177  253.697      3.60501  253.528      5.04823  253.873      5.14979  15.9196  0.158554  15.9303  0.161635  
1 1 1 8  6  19 o 8.66901  0.079756  75.1589      1.38281  75.7418      1.94234  74.5598      1.96912  8.70214  0.111601  8.63394  0.114034  
1 1 1 8  6  20 f 1.04458  0.300699  1.11654      0.662248 0.638987     0.935475 1.59632      0.937649 0.949138 0.359188  1.24767  0.357358  
1 1 1 8  6  21 o 12.2205  0.0969751 149.369      2.37016  147.697      3.32952  151.087      3.37477  12.1507  0.137009  12.2894  0.137305  
1 1 1 8  6  22 o 8.69259  0.0917462 75.575       1.59502  73.6856      2.25181  77.4776      2.25962  8.58241  0.131187  8.80054  0.12838   
1 1 1 8  6  23 o 12.9962  0.107924  168.951      2.80521  169.61       3.93967  168.273      3.99523  13.0197  0.151297  12.9681  0.154041  
1 1 1 8  6  24 o 10.1564  0.108868  103.189      2.21142  102.466      3.07204  103.968      3.1859   10.119   0.151795  10.1927  0.156283  
1 1 1 8  6  25 o 0.924189 0.367453  0.443465     1.01448  -0.665334    1.42404  1.58609      1.44559  0.874978 0.392317  1.31649  0.453075  
1 1 1 8  6  26 o 8.29941  0.108628  68.9209      1.8031   67.8338      2.50137  70.0967      2.60152  8.23137  0.151941  8.36731  0.155457  
1 1 1 8  6  27 o 9.53614  0.0977456 90.9919      1.86423  91.56        2.65612  90.4403      2.61715  9.56294  0.138876  9.50438  0.137682  
1 1 1 8  6  28 o 8.9905   0.100247  80.8933      1.80254  81.8957      2.56621  79.917       2.53248  9.04235  0.1419    8.93246  0.141757  
1 1 1 8  6  29 o 4.47801  0.117421  20.082       1.05163  20.8474      1.49892  19.3399      1.4758   4.55938  0.164377  4.39117  0.168042  
1 1 1 8  6  30 o 2.9186   0.166987  8.549        0.974735 8.63675      1.37965  8.46155      1.37732  2.92831  0.235571  2.89827  0.237611  
1 1 1 8  6  31 o 7.52654  0.0977829 56.7334      1.47193  60.8629      2.1125   52.8369      2.05207  7.79017  0.135588  7.25746  0.141377  
1 1 1 8  6  32 o 3.45241  0.142134  11.9656      0.981408 11.5474      1.38276  12.3901      1.39314  3.38457  0.204274  3.50665  0.198642  
1 1 1 8  6  33 o 1.39539  0.323739  2.06991      0.886767 1.44978      1.25954  2.67939      1.24869  1.22791  0.422884  1.57893  0.395817  
1 1 1 8  6  34 o 0.980019 0.373529  0.726718     1.01764  0.170598     1.44691  1.27109      1.43155  0.99305  0.42062   1.20936  0.447195  
1 1 1 8  6  35 o 2.69107  0.181388  7.32064      0.976255 6.91097      1.38293  7.7276       1.37835  2.59824  0.266127  2.7511   0.250509  
1 1 1 8  6  36 o 3.3791   0.186789  11.5638      1.26236  12.9118      1.81385  10.2976      1.75794  3.55089  0.255408  3.16433  0.277775  
1 1 1 8  6  37 o 1.00905  0.3744    0.885491     1.00514  1.39633      1.45131  0.414598     1.39341  1.22293  0.450608  1.00698  0.418851  
1 1 1 8  6  38 o 1.44559  0.3635    2.3223       1.05069  2.43223      1.51043  2.21922      1.46254  1.46669  0.461995  1.41081  0.455709  
1 1 1 8  6  39 o 1.07044  0.382917  1.13206      1.04128  2.63142      1.49263  -0.289389    1.45333  1.50665  0.456246  0.894808 0.398891  
1 1 1 8  6  40 o 1.2121   0.381395  1.64833      1.02975  1.0134       1.46268  2.27227      1.44997  1.10734  0.440922  1.39646  0.453963  
1 1 1 8  6  41 o 2.24394  0.234353  5.27688      1.05175  5.24799      1.50329  5.30459      1.47199  2.18085  0.344657  2.1984   0.334787  
1 1 1 8  6  42 o 2.38868  0.224761  6.02374      1.07376  6.50052      1.54863  5.58231      1.49012  2.41603  0.32049   2.22894  0.334266  
1 1 1 8  6  43 o 0.944584 0.367802  0.867826     1.00024  0.562027     1.43318  1.15823      1.39664  0.964354 0.413865  1.06724  0.428611  
1 1 1 8  6  44 f 0.914379 0.372037  0.805385     1.07068  0.0570466    1.55282  1.4836       1.47828  0.881453 0.400984  1.09458  0.440392  
1 1 1 8  6  45 o 0.680704 0.317118  -0.388215    1.05183  0.430561     1.47811  -1.22815     1.49709  0.883964 0.397886  0.712072 0.344293  
1 1 1 8  6  46 o 0.828017 0.382885  0.290886     1.49722  0.183432     2.05089  0.413499     2.19079  0.880985 0.420475  0.910888 0.434707  
1 1 1 8  6  47 o 0.729533 0.357498  -0.452996    1.76705  -0.841986    2.57097  -0.104711    2.43274  0.776756 0.388378  0.800579 0.397473  
1 1 1 8  6  48 o ?        ?         -3.13003     3.3941   -6.54852     4.85337  0.142075     4.74832  ?        ?         ?        ?         
1 1 1 8  7  0  o 21.5969  0.211613  466.762      9.13841  466.762      9.13841  466.762      9.13841  21.6008  0.14959   ?        ?         
1 1 1 8  7  1  o 23.4944  0.16847   552.291      7.91622  551.426      11.0461  553.205      11.3505  23.4696  0.235328  23.5068  0.241431  
1 1 1 8  7  2  f 14.2979  0.104898  204.474      2.99965  204.999      4.25459  203.956      4.22982  14.3146  0.14861   14.2782  0.148122  
1 1 1 8  7  3  o 40.2586  0.292011  1623.56      23.5119  1620.49      33.1872  1626.66      33.3148  40.1846  0.412934  40.2608  0.413738  
1 1 1 8  7  4  o 17.2698  0.118963  298.333      4.10892  299.942      5.91002  296.828      5.7166   17.3135  0.170677  17.2236  0.165952  
1 1 1 8  7  5  o 5.44604  0.0454058 29.6607      0.494563 30.9146      0.739178 28.6444      0.665453 5.55982  0.066475  5.35182  0.0621707 
1 1 1 8  7  6  o 24.5383  0.166336  602.505      8.1632   604.374      11.8361  600.81       11.2734  24.5676  0.240889  24.4965  0.230103  
1 1 1 8  7  7  o 4.20593  0.0452125 17.6907      0.380321 18.4678      0.548307 16.9701      0.52798  4.29721  0.0637981 4.11928  0.0640865 
1 1 1 8  7  8  o 38.0195  0.256956  1447.83      19.5386  1443.71      26.9848  1452.37      28.3277  37.9367  0.355655  38.0447  0.372295  
1 1 1 8  7  9  o 6.76669  0.0595055 45.7922      0.80531  45.6697      1.13515  45.9163      1.14264  6.75732  0.0839944 6.77554  0.0843212 
1 1 1 8  7  10 o 3.31769  0.0614834 11.0082      0.407966 10.6643      0.572577 11.3628      0.581427 3.26529  0.0876764 3.37055  0.0862511 
1 1 1 8  7  11 o 25.5951  0.202745  655.847      10.3786  651.258      14.5811  660.558      14.7758  25.4912  0.286004  25.6722  0.287778  
1 1 1 8  7  12 o 3.69005  0.0682354 13.6182      0.503584 13.94        0.730464 13.3267      0.695194 3.73314  0.0978352 3.65012  0.095229  
1 1 1 8  7  13 o 6.30523  0.0668812 39.7605      0.843402 39.51        1.16642  40.035       1.22095  6.28499  0.0927943 6.32656  0.0964937 
1 1 1 8  7  14 o 9.42547  0.082605  88.8542      1.55718  89.0828      2.26802  88.6504      2.14177  9.43669  0.120171  9.41393  0.113755  
1 1 1 8  7  15 o 12.9494  0.0944344 167.721      2.44573  169.409      3.56696  166.223      3.35989  13.0128  0.137056  12.8902  0.130328  
1 1 1 8  7  16 o 11.7945  0.0932245 139.132      2.19907  138.718      3.10651  139.549      3.11342  11.776   0.1319    11.8112  0.1318    
1 1 1 8  7  17 o 4.58512  0.0757099 21.0251      0.694278 21.3162      0.999563 20.7539      0.96506  4.61652  0.108259  4.55524  0.105929  
1 1 1 8  7  18 o 13.2071  0.0980592 174.453      2.59016  172.799      3.63305  176.162      3.69378  13.1434  0.138208  13.2707  0.139171  
1 1 1 8  7  19 o 9.391    0.0802588 88.1995      1.50742  91.9307      2.16998  84.7197      2.0956   9.58711  0.113172  9.20341  0.113849  
1 1 1 8  7  20 o 11.1131  0.0886801 123.519      1.97103  125.37       2.79114  121.677      2.78378  11.1953  0.124657  11.0292  0.126201  
1 1 1 8  7  21 o 18.724   0.134767  350.718      5.04676  343.652      6.93489  358.674      7.35831  18.5311  0.187115  18.9313  0.194343  
1 1 1 8  7  22 o 7.39763  0.097278  54.7364      1.43925  56.5617      2.04184  52.9339      2.02905  7.51921  0.135775  7.274    0.139473  
1 1 1 8  7  23 o 2.90116  0.163285  8.42252      0.947429 9.18638      1.34362  7.66714      1.33615  3.02896  0.221796  2.76685  0.241456  
1 1 1 8  7  24 o 2.6561   0.221266  7.06547      1.17541  7.38815      1.74469  6.79729      1.59055  2.7138   0.321448  2.60343  0.305472  
1 1 1 8  7  25 o 3.68083  0.143476  13.5597      1.05622  11.8352      1.48562  15.3223      1.50196  3.43699  0.216122  3.91145  0.191995  
1 1 1 8  7  26 o 5.48663  0.121001  30.1259      1.32778  29.7007      1.84918  30.5784      1.90771  5.4458   0.16978   5.52554  0.172627  
1 1 1 8  7  27 o 9.75653  0.0977235 95.2477      1.90689  92.1507      2.65042  98.5712      2.74558  9.59363  0.138135  9.92219  0.138355  
1 1 1 8  7  28 o 3.77014  0.141254  14.2372      1.0651   13.2585      1.48524  15.2733      1.52823  3.63496  0.2043    3.90193  0.19583   
1 1 1 8  7  29 o 2.28976  0.208264  5.26757      0.953747 4.6627       1.33741  5.89349      1.36049  2.14814  0.311295  2.41736  0.2814    
1 1 1 8  7  30 o 9.54196  0.0988276 91.1676      1.88602  89.1618      2.63773  93.2656      2.69776  9.43027  0.139854  9.64485  0.139855  
1 1 1 8  7  31 o 8.42006  0.0958497 71.0015      1.61412  72.9103      2.31351  69.1911      2.25311  8.5261   0.135672  8.3058   0.135635  
1 1 1 8  7  32 o 3.86125  0.128686  14.9578      0.99378  16.2526      1.41451  13.6958      1.3965   4.01925  0.175967  3.68783  0.189339  
1 1 1 8  7  33 o 0.893834 0.343414  0.56454      0.865816 1.40673      1.23016  -0.262183    1.21881  1.21104  0.417841  0.847535 0.372709  
1 1 1 8  7  34 o 4.1102   0.140606  16.989       1.15584  15.2439      1.6143   18.8248      1.65568  3.88065  0.207993  4.31633  0.191793  
1 1 1 8  7  35 o 4.73605  0.119834  22.5389      1.13508  24.729       1.62263  20.4402      1.58841  4.9502   0.163896  4.49722  0.1766    
1 1 1 8  7  36 o 4.04322  0.163225  16.5097      1.31991  17.6785      1.85899  15.3215      1.87437  4.16593  0.223119  3.87203  0.24204   
1 1 1 8  7  37 o 1.67415  0.312096  3.00841      1.00608  3.22013      1.42388  2.79734      1.42175  1.69598  0.421168  1.57913  0.436066  
1 1 1 8  7  38 o 2.69057  0.204252  7.40676      1.09911  8.81952      1.59621  6.133        1.51565  2.90939  0.274321  2.411    0.31432   
1 1 1 8  7  39 o 1.17189  0.384729  1.48261      1.04142  2.41051      1.4615   0.525442     1.48436  1.44734  0.454162  1.0317   0.430918  
1 1 1 8  7  40 o 0.773444 0.341865  -0.148336    1.04089  0.10592      1.50342  -0.382418    1.44254  0.957373 0.417515  0.869794 0.392203  
1 1 1 8  7  41 o 0.9405   0.371106  0.714329     1.02752  0.955786     1.49051  0.495661     1.41843  1.0874   0.44026   0.988812 0.417524  
1 1 1 8  7  42 o 0.659888 0.30972   -0.822032    1.04527  0.034346     1.50553  -1.61899     1.45237  0.915729 0.407167  0.715956 0.344598  
1 1 1 8  7  43 o 1.648    0.317543  3.14884      1.00927  4.36668      1.4186   1.90055      1.43622  1.88582  0.3894    1.2287   0.448693  
1 1 1 8  7  44 o 0.690382 0.32227   -0.524418    1.09317  -1.08506     1.54435  0.0385901    1.5476   0.756075 0.361814  0.875125 0.398695  
1 1 1 8  7  45 o 0.759659 0.342501  0.0936586    1.09978  -2.29745     1.53535  2.61335      1.57609  0.643125 0.318615  1.26262  0.46876   
1 1 1 8  7  46 o 0.765083 0.359742  -0.158694    1.42674  -0.718127    1.94554  0.492205     2.09857  0.798756 0.387602  0.906949 0.42991   
1 1 1 8  7  47 o 0.590965 0.297962  -2.52932     1.61857  -3.79375     2.30603  -1.30157     2.27234  0.645588 0.329304  0.73099  0.365495  
1 1 1 8  7  48 o ?        ?         -1.47254     2.6763   1.48559      3.82435  -4.31154     3.74656  ?        ?         ?        ?         
1 1 1 8  8  0  o 59.242   0.787216  3533.32      93.2355  3533.32      93.2355  3533.32      93.2355  59.3405  0.555611  ?        ?         
1 1 1 8  8  1  o 21.3346  0.219782  455.533      9.3757   455.533      9.3757   455.533      9.3757   21.3389  0.15536   ?        ?         
1 1 1 8  8  2  o 19.8642  0.204529  394.883      8.12367  394.883      8.12367  394.883      8.12367  19.8679  0.144579  ?        ?         
1 1 1 8  8  3  o 21.2431  0.218965  451.64       9.30076  451.64       9.30076  451.64       9.30076  21.2474  0.154782  ?        ?         
1 1 1 8  8  4  o 14.6459  0.165594  214.649      4.84916  214.649      4.84916  214.649      4.84916  14.6484  0.117056  ?        ?         
1 1 1 8  8  5  o 19.7225  0.189703  389.24       7.48128  389.24       7.48128  389.24       7.48128  19.7258  0.134104  ?        ?         
1 1 1 8  8  6  o 1.40592  0.111499  2.01395      0.308982 2.01395      0.308982 2.01395      0.308982 1.41268  0.0778701 ?        ?         
1 1 1 8  8  7  o 2.18753  0.0864149 4.80807      0.37673  4.80807      0.37673  4.80807      0.37673  2.19014  0.0609218 ?        ?         
1 1 1 8  8  8  o 11.1111  0.126926  123.529      2.81973  123.529      2.81973  123.529      2.81973  11.1127  0.0897237 ?        ?         
1 1 1 8  8  9  o 6.91031  0.0854209 47.7787      1.18016  47.7787      1.18016  47.7787      1.18016  6.91126  0.0603829 ?        ?         
1 1 1 8  8  10 o 1.34875  0.194826  1.93064      0.493451 1.93064      0.493451 1.93064      0.493451 1.37116  0.129916  ?        ?         
1 1 1 8  8  11 f 3.57952  0.0986222 12.8438      0.704827 12.8438      0.704827 12.8438      0.704827 3.58168  0.0696341 ?        ?         
1 1 1 8  8  12 o 15.953   0.164807  254.672      5.25707  254.672      5.25707  254.672      5.25707  15.9557  0.116502  ?        ?         
1 1 1 8  8  13 o 4.08777  0.101255  16.7428      0.826664 16.7428      0.826664 16.7428      0.826664 4.08979  0.0715127 ?        ?         
1 1 1 8  8  14 o 12.5663  0.139319  158.006      3.50048  158.006      3.50048  158.006      3.50048  12.5682  0.0984853 ?        ?         
1 1 1 8  8  15 o 1.61788  0.229866  2.77352      0.700667 2.77352      0.700667 2.77352      0.700667 1.64394  0.153781  ?        ?         
1 1 1 8  8  16 o 21.4947  0.21476   462.347      9.23032  462.347      9.23032  462.347      9.23032  21.4984  0.151815  ?        ?         
1 1 1 8  8  17 o 5.85523  0.09883   34.3155      1.1566   34.3155      1.1566   34.3155      1.1566   5.85658  0.0698446 ?        ?         
1 1 1 8  8  18 o 11.4761  0.123782  131.761      2.84031  131.761      2.84031  131.761      2.84031  11.4774  0.0875052 ?        ?         
1 1 1 8  8  19 o 5.2591   0.112182  27.6985      1.17874  27.6985      1.17874  27.6985      1.17874  5.26102  0.079255  ?        ?         
1 1 1 8  8  20 o 3.37983  0.161277  11.5038      1.08452  11.5038      1.08452  11.5038      1.08452  3.38582  0.113537  ?        ?         
1 1 1 8  8  21 o 0.734549 0.430069  0.655942     1.03848  0.655942     1.03848  0.655942     1.03848  0.683239 0.376527  ?        ?         
1 1 1 8  8  22 o 2.8311   0.245543  8.19986      1.36625  8.19986      1.36625  8.19986      1.36625  2.84776  0.171035  ?        ?         
1 1 1 8  8  23 f 11.8221  0.140105  139.857      3.31163  139.857      3.31163  139.857      3.31163  11.8241  0.0990368 ?        ?         
1 1 1 8  8  24 o 6.28899  0.165052  39.65        2.07279  39.65        2.07279  39.65        2.07279  6.29292  0.116545  ?        ?         
1 1 1 8  8  25 o 5.11136  0.158278  26.2148      1.61452  26.2148      1.61452  26.2148      1.61452  5.1157   0.111702  ?        ?         
1 1 1 8  8  26 o 7.29123  0.158656  53.2731      2.31112  53.2731      2.31112  53.2731      2.31112  7.29505  0.112068  ?        ?         
1 1 1 8  8  27 o 4.48415  0.176025  20.2207      1.57312  20.2207      1.57312  20.2207      1.57312  4.49046  0.124073  ?        ?         
1 1 1 8  8  28 f 4.89391  0.166768  24.062       1.628    24.062       1.628    24.062       1.628    4.89962  0.117629  ?        ?         
1 1 1 8  8  29 o 9.68487  0.137721  93.9514      2.66641  93.9514      2.66641  93.9514      2.66641  9.68886  0.0973212 ?        ?         
1 1 1 8  8  30 o 10.814   0.142919  117.168      3.08984  117.168      3.08984  117.168      3.08984  10.8192  0.10099   ?        ?         
1 1 1 8  8  31 o 4.48698  0.167061  20.2624      1.49449  20.2624      1.49449  20.2624      1.49449  4.49419  0.117753  ?        ?         
1 1 1 8  8  32 o 0.599332 0.400077  -0.281401    1.25869  -0.281401    1.25869  -0.281401    1.25869  0.491759 0.330496  ?        ?         
1 1 1 8  8  33 o 2.55044  0.260856  6.75624      1.2987   6.75624      1.2987   6.75624      1.2987   2.57574  0.180292  ?        ?         
1 1 1 8  8  34 o 0.877053 0.501819  1.0719       1.36805  1.0719       1.36805  1.0719       1.36805  0.842809 0.44128   ?        ?         
1 1 1 8  8  35 o 6.10599  0.156307  37.5131      1.90599  37.5131      1.90599  37.5131      1.90599  6.11536  0.110274  ?        ?         
1 1 1 8  8  36 o 5.00356  0.200937  25.347       2.00343  25.347       2.00343  25.347       2.00343  5.01911  0.141378  ?        ?         
1 1 1 8  8  37 o 0.448889 0.324799  -2.03479     1.35562  -2.03479     1.35562  -2.03479     1.35562  0.338034 0.248527  ?        ?         
1 1 1 8  8  38 o 0.401505 0.297783  -4.06423     1.58358  -4.06423     1.58358  -4.06423     1.58358  0.294936 0.220963  ?        ?         
1 1 1 8  8  39 o 2.09528  0.41193   5.05622      1.53453  5.05622      1.53453  5.05622      1.53453  2.18323  0.256539  ?        ?         
1 1 1 8  8  40 o 1.83327  0.484157  4.20745      1.53005  4.20745      1.53005  4.20745      1.53005  1.96067  0.296236  ?        ?         
1 1 1 8  8  41 o 0.573232 0.396026  -0.702102    1.43821  -0.702102    1.43821  -0.702102    1.43821  0.463629 0.322575  ?        ?         
1 1 1 8  8  42 o 2.63788  0.299144  7.56015      1.53201  7.56015      1.53201  7.56015      1.53201  2.69585  0.203589  ?        ?         
1 1 1 8  8  43 o 0.637343 0.422899  0.0675519    1.36367  0.0675519    1.36367  0.0675519    1.36367  0.55072  0.361682  ?        ?         
1 1 1 8  8  44 o 0.967535 0.552963  1.85176      1.65898  1.85176      1.65898  1.85176      1.65898  1.02058  0.495215  ?        ?         
1 1 1 8  8  45 o 2.53085  0.337618  7.51992      1.64113  7.51992      1.64113  7.51992      1.64113  2.64241  0.22325   ?        ?         
1 1 1 8  8  46 o 0.63676  0.449886  -0.552682    2.14119  -0.552682    2.14119  -0.552682    2.14119  0.550666 0.386075  ?        ?         
1 1 1 8  8  47 o 0.544916 0.393684  -1.0403      1.9535   -1.0403      1.9535   -1.0403      1.9535   0.464989 0.335279  ?        ?         
1 1 1 9  0  0  o 14.7224  0.195765  216.926      5.76196  216.926      5.76196  216.926      5.76196  14.7254  0.138371  ?        ?         
1 1 1 9  0  1  o 12.7451  0.120041  162.499      3.05926  162.499      3.05926  162.499      3.05926  12.7463  0.0848652 ?        ?         
1 1 1 9  0  2  o 6.68674  0.0710377 44.7294      0.94978  44.7294      0.94978  44.7294      0.94978  6.68737  0.0502201 ?        ?         
1 1 1 9  0  3  o 43.721   0.409105  1914.69      35.7659  1914.69      35.7659  1914.69      35.7659  43.7387  0.289135  ?        ?         
1 1 1 9  0  4  o 3.08662  0.0534347 9.53602      0.329642 9.53602      0.329642 9.53602      0.329642 3.08733  0.0377625 ?        ?         
1 1 1 9  0  5  o 3.46948  0.0744491 12.0546      0.516063 12.0546      0.516063 12.0546      0.516063 3.47073  0.0525971 ?        ?         
1 1 1 9  0  6  o 24.0582  0.225535  579.25       10.8498  579.25       10.8498  579.25       10.8498  24.0629  0.15943   ?        ?         
1 1 1 9  0  7  o 19.1495  0.180546  366.931      6.91336  366.931      6.91336  366.931      6.91336  19.1525  0.127633  ?        ?         
1 1 1 9  0  8  o 19.459   0.183704  378.899      7.14795  378.899      7.14795  378.899      7.14795  19.4621  0.129864  ?        ?         
1 1 1 9  0  9  o 41.1537  0.384899  1697.08      31.6738  1697.08      31.6738  1697.08      31.6738  41.1746  0.272     ?        ?         
1 1 1 9  0  10 o 11.256   0.122552  126.766      2.75814  126.766      2.75814  126.766      2.75814  11.2575  0.0866339 ?        ?         
1 1 1 9  0  11 f 2.64125  0.106577  7.01126      0.560912 7.01126      0.560912 7.01126      0.560912 2.64458  0.0751252 ?        ?         
1 1 1 9  0  12 o 9.4207   0.114741  88.805       2.16115  88.805       2.16115  88.805       2.16115  9.42217  0.0811078 ?        ?         
1 1 1 9  0  13 o 1.2498   0.340039  1.87189      0.733464 1.87189      0.733464 1.87189      0.733464 1.31879  0.213515  ?        ?         
1 1 1 9  0  14 o 0.411539 0.275448  -0.174569    0.60612  -0.174569    0.60612  -0.174569    0.60612  0.334393 0.226174  ?        ?         
1 1 1 9  0  15 o 5.83643  0.0990893 34.0974      1.1559   34.0974      1.1559   34.0974      1.1559   5.83787  0.0700267 ?        ?         
1 1 1 9  0  16 o 9.40864  0.10608   88.5675      1.99557  88.5675      1.99557  88.5675      1.99557  9.40983  0.0749898 ?        ?         
1 1 1 9  0  17 o 5.13515  0.10058   26.4025      1.0321   26.4025      1.0321   26.4025      1.0321   5.13674  0.0710681 ?        ?         
1 1 1 9  0  18 o 6.53511  0.123225  42.7579      1.60928  42.7579      1.60928  42.7579      1.60928  6.53703  0.0870722 ?        ?         
1 1 1 9  0  19 o 3.51335  0.140239  12.4043      0.981846 12.4043      0.981846 12.4043      0.981846 3.51768  0.0988595 ?        ?         
1 1 1 9  0  20 o 2.72991  0.184456  7.55594      0.996545 7.55594      0.996545 7.55594      0.996545 2.73951  0.129267  ?        ?         
1 1 1 9  0  21 o 2.07763  0.262444  4.52232      1.05139  4.52232      1.05139  4.52232      1.05139  2.10353  0.179734  ?        ?         
1 1 1 9  0  22 o 9.7184   0.122417  94.5072      2.37854  94.5072      2.37854  94.5072      2.37854  9.71994  0.0865326 ?        ?         
1 1 1 9  0  23 o 16.0088  0.180542  256.477      5.77884  256.477      5.77884  256.477      5.77884  16.0118  0.12762   ?        ?         
1 1 1 9  0  24 o 5.89118  0.14801   34.7822      1.74142  34.7822      1.74142  34.7822      1.74142  5.89441  0.104526  ?        ?         
1 1 1 9  0  25 o 6.45543  0.171557  41.7816      2.21141  41.7816      2.21141  41.7816      2.21141  6.45966  0.121132  ?        ?         
1 1 1 9  0  26 o 8.89035  0.139064  79.1314      2.47129  79.1314      2.47129  79.1314      2.47129  8.89296  0.0982769 ?        ?         
1 1 1 9  0  27 o 3.16023  0.26085   10.2086      1.62285  10.2086      1.62285  10.2086      1.62285  3.17809  0.181901  ?        ?         
1 1 1 9  0  28 o 0.605274 0.405953  -0.403024    1.33036  -0.403024    1.33036  -0.403024    1.33036  0.491569 0.333434  ?        ?         
1 1 1 9  0  29 o 1.17618  0.52479   2.02063      1.30153  2.02063      1.30153  2.02063      1.30153  1.25314  0.414526  ?        ?         
1 1 1 9  0  30 o 0.518748 0.361016  -1.00324     1.27544  -1.00324     1.27544  -1.00324     1.27544  0.403297 0.286521  ?        ?         
1 1 1 9  0  31 o 1.88038  0.39885   4.00832      1.31834  4.00832      1.31834  4.00832      1.31834  1.95226  0.247713  ?        ?         
1 1 1 9  0  32 o 3.57108  0.193859  12.9078      1.37525  12.9078      1.37525  12.9078      1.37525  3.58201  0.136187  ?        ?         
1 1 1 9  0  33 o 3.03882  0.222826  9.42991      1.33752  9.42991      1.33752  9.42991      1.33752  3.05514  0.155706  ?        ?         
1 1 1 9  0  34 o 1.4606   0.525636  2.89045      1.40197  2.89045      1.40197  2.89045      1.40197  1.58185  0.360123  ?        ?         
1 1 1 9  0  35 o 2.75522  0.286669  7.92787      1.54052  7.92787      1.54052  7.92787      1.54052  2.78646  0.197753  ?        ?         
1 1 1 9  0  36 o 4.02791  0.205261  16.4713      1.64375  16.4713      1.64375  16.4713      1.64375  4.04326  0.14415   ?        ?         
1 1 1 9  0  37 o 5.68902  0.187988  32.6994      2.13365  32.6994      2.13365  32.6994      2.13365  5.70364  0.13242   ?        ?         
1 1 1 9  0  38 o 1.16925  0.546295  2.13326      1.41549  2.13326      1.41549  2.13326      1.41549  1.25659  0.440476  ?        ?         
1 1 1 9  0  39 o 2.82714  0.278184  8.40032      1.53798  8.40032      1.53798  8.40032      1.53798  2.86376  0.191851  ?        ?         
1 1 1 9  0  40 f 0.824667 0.494691  0.915683     1.4297   0.915683     1.4297   0.915683     1.4297   0.777579 0.436353  ?        ?         
1 1 1 9  0  41 o 0.760077 0.474296  0.614102     1.42848  0.614102     1.42848  0.614102     1.42848  0.691999 0.415494  ?        ?         
1 1 1 9  0  42 o 1.06379  0.543084  1.93503      1.44188  1.93503      1.44188  1.93503      1.44188  1.13743  0.460404  ?        ?         
1 1 1 9  0  43 o 0.785515 0.480599  0.874445     1.40838  0.874445     1.40838  0.874445     1.40838  0.744578 0.427381  ?        ?         
1 1 1 9  0  44 o 0.671893 0.437573  0.341315     1.37702  0.341315     1.37702  0.341315     1.37702  0.599904 0.381533  ?        ?         
1 1 1 9  0  45 o 0.512054 0.366071  -1.34879     1.53882  -1.34879     1.53882  -1.34879     1.53882  0.408064 0.294679  ?        ?         
1 1 1 9  0  46 o 0.59153  0.412884  -0.452818    1.69344  -0.452818    1.69344  -0.452818    1.69344  0.505299 0.351398  ?        ?         
1 1 1 9  0  47 o 0.634507 0.458173  -0.727679    2.6283   -0.727679    2.6283   -0.727679    2.6283   0.563012 0.402457  ?        ?         
1 1 1 9  0  48 o 0.554024 0.414546  -5.10132     3.78413  -5.10132     3.78413  -5.10132     3.78413  0.469818 0.35138   ?        ?         
1 1 1 9  1  0  o 3.88618  0.047012  15.1093      0.365274 15.1093      0.365274 15.1093      0.365274 3.88663  0.0332332 ?        ?         
1 1 1 9  1  1  f 13.8677  0.0941987 192.341      2.61264  194.938      3.74268  189.872      3.64878  13.96    0.13405   13.7775  0.132418  
1 1 1 9  1  2  o 3.33967  0.0322896 11.1536      0.215673 11.517       0.308918 10.808       0.301243 3.39361  0.0455147 3.2875   0.0458164 
1 1 1 9  1  3  o 16.0061  0.110067  256.25       3.52348  255.196      4.80842  257.472      5.178    15.9717  0.15053   16.0422  0.161386  
1 1 1 9  1  4  o 18.7474  0.127193  351.57       4.76909  350.378      6.57897  352.89       6.92321  18.713   0.175786  18.7794  0.18433   
1 1 1 9  1  5  o 21.9129  0.145312  480.37       6.36841  475.946      8.92727  484.954      9.08744  21.8072  0.204687  22.0124  0.206416  
1 1 1 9  1  6  o 40.9119  0.270199  1676.31      22.1087  1677.13      31.2803  1675.49      31.2526  40.8902  0.382492  40.8702  0.38234   
1 1 1 9  1  7  o 15.217   0.10446   231.612      3.17912  228.407      4.53722  234.703      4.45579  15.1094  0.150146  15.3164  0.145458  
1 1 1 9  1  8  o 25.5209  0.169358  651.748      8.64434  651.723      12.2214  651.773      12.2285  25.5118  0.239525  25.5128  0.239653  
1 1 1 9  1  9  o 3.48214  0.0525103 12.1261      0.365697 12.4132      0.510201 11.8228      0.524441 3.52302  0.0724096 3.43819  0.076267  
1 1 1 9  1  10 o 9.42827  0.0779316 88.906       1.46952  88.6675      2.04539  89.1604      2.11267  9.41493  0.108625  9.44098  0.111889  
1 1 1 9  1  11 f 4.62829  0.0575598 21.4229      0.532807 21.6253      0.75092  21.2177      0.756112 4.6499   0.0807457 4.60585  0.0820816 
1 1 1 9  1  12 o 5.02068  0.0653388 25.2101      0.65609  25.035       0.961363 25.3628      0.897616 5.00287  0.0960812 5.03561  0.089127  
1 1 1 9  1  13 o 7.69829  0.0794131 59.274       1.22269  59.2715      1.7879   59.2761      1.67582  7.69736  0.116137  7.69783  0.10885   
1 1 1 9  1  14 o 17.9757  0.126262  323.258      4.5393   322.51       6.20583  324.118      6.65695  17.9516  0.172849  17.9953  0.184963  
1 1 1 9  1  15 o 0.697401 0.264884  0.338523     0.51028  -0.0956554   0.724129 0.766794     0.719186 0.676563 0.292337  0.923135 0.31939   
1 1 1 9  1  16 o 2.93766  0.0916182 8.63144      0.538286 7.95198      0.759166 9.31841      0.763355 2.81935  0.134635  3.05207  0.125055  
1 1 1 9  1  17 o 6.23262  0.0688921 38.8488      0.858756 38.5005      1.21762  39.1935      1.21133  6.20435  0.0981265 6.25995  0.0967525 
1 1 1 9  1  18 o 5.26831  0.0742864 27.7574      0.782728 27.3356      1.10999  28.1745      1.10393  5.22791  0.10616   5.30754  0.103996  
1 1 1 9  1  19 o 8.32106  0.0779512 69.2463      1.29727  70.2012      1.82423  68.2693      1.8452   8.37786  0.108872  8.26174  0.111671  
1 1 1 9  1  20 o 13.1525  0.101183  173.017      2.66162  175.108      3.75562  170.907      3.77263  13.2307  0.141928  13.071   0.144313  
1 1 1 9  1  21 o 12.5959  0.0966627 158.685      2.4351   159.972      3.46689  157.431      3.42108  12.6457  0.137078  12.5449  0.136353  
1 1 1 9  1  22 o 9.56555  0.0868453 91.5144      1.66145  91.8281      2.38203  91.2171      2.31853  9.58112  0.124309  9.54926  0.121399  
1 1 1 9  1  23 o 4.40789  0.12259   19.4364      1.08073  17.7168      1.50755  21.2545      1.55011  4.20751  0.179149  4.6087   0.168172  
1 1 1 9  1  24 o 11.2844  0.102979  127.376      2.32413  125.379      3.25451  129.455      3.32009  11.1939  0.145369  11.3744  0.145946  
1 1 1 9  1  25 o 8.19634  0.119313  67.213       1.95586  65.9964      2.88599  68.2464      2.65983  8.11937  0.177722  8.25742  0.161057  
1 1 1 9  1  26 f 6.41147  0.105353  41.1282      1.35094  41.8038      1.8572   40.3689      1.9687   6.46247  0.143691  6.35009  0.155014  
1 1 1 9  1  27 o 1.24375  0.389023  1.54785      1.07348  1.0959       1.49796  2.02498      1.53914  1.21127  0.455537  1.43781  0.467714  
1 1 1 9  1  28 o 3.37907  0.149196  11.4366      1.00829  12.7931      1.43731  10.1222      1.41482  3.57143  0.201224  3.17574  0.222755  
1 1 1 9  1  29 o 2.59813  0.182762  6.77287      0.949677 5.28167      1.33302  8.3098       1.35331  2.28855  0.291236  2.87476  0.235377  
1 1 1 9  1  30 o 7.87875  0.094964  62.1422      1.4964   63.3584      2.13377  60.9652      2.09911  7.95114  0.13418   7.79948  0.134567  
1 1 1 9  1  31 o 2.238    0.209493  5.04115      0.937689 4.06358      1.32202  6.03084      1.3302   1.9996   0.330573  2.4423   0.272325  
1 1 1 9  1  32 o 0.662809 0.301739  -0.544475    0.88279  0.347393     1.24396  -1.44934     1.25299  0.970229 0.398919  0.70443  0.3331    
1 1 1 9  1  33 o 2.16379  0.211746  4.72683      0.916351 6.64292      1.30546  2.86578      1.28657  2.55981  0.254992  1.634    0.397035  
1 1 1 9  1  34 o 1.13196  0.370195  1.2902       0.964224 1.28053      1.36527  1.29981      1.36197  1.20022  0.437551  1.20421  0.437215  
1 1 1 9  1  35 o 1.84095  0.285456  3.47623      1.05102  2.55224      1.54219  4.27757      1.43619  1.53322  0.463653  1.99563  0.373659  
1 1 1 9  1  36 o 4.10867  0.142206  17.0034      1.16856  16.9889      1.67825  17.0171      1.62807  4.09076  0.205127  4.09604  0.198737  
1 1 1 9  1  37 o 6.13089  0.126459  37.8297      1.55061  36.5918      2.22142  39.006       2.16544  6.00751  0.184887  6.2072   0.17443   
1 1 1 9  1  38 o 1.35508  0.363394  2.02922      1.00534  0.769908     1.44018  3.22613      1.40405  1.07865  0.434392  1.69045  0.417268  
1 1 1 9  1  39 o 2.45396  0.220779  6.19934      1.08356  6.46932      1.50587  5.90946      1.56036  2.47484  0.304236  2.35364  0.331479  
1 1 1 9  1  40 o 0.807764 0.348272  0.0710561    1.02351  -0.971385    1.43306  1.15647      1.4623   0.795298 0.370368  1.1376   0.444353  
1 1 1 9  1  41 o 0.78859  0.343626  0.00323809   1.01664  0.854892     1.44515  -0.831196    1.43047  1.06526  0.432629  0.805758 0.373227  
1 1 1 9  1  42 o 2.01708  0.262727  4.36008      1.05988  4.73255      1.48111  3.96916      1.51734  2.00786  0.382581  1.80081  0.427188  
1 1 1 9  1  43 o 0.939199 0.366492  0.837283     0.994231 2.302        1.40771  -0.620567    1.40441  1.33663  0.447299  0.796062 0.369148  
1 1 1 9  1  44 f 1.13754  0.38425   1.63886      1.03883  1.24762      1.41019  2.10311      1.53613  1.05443  0.42769   1.23548  0.461962  
1 1 1 9  1  45 o 1.31724  0.397815  2.39373      1.13581  0.942033     1.5687   3.99339      1.64671  0.982974 0.427576  1.61084  0.477498  
1 1 1 9  1  46 o 0.884555 0.38309   0.874094     1.24895  2.12199      1.76563  -0.375654    1.76694  1.09262  0.463812  0.806147 0.386072  
1 1 1 9  1  47 o 1.01503  0.460966  2.65235      2.03301  4.54693      2.70447  0.190732     3.08273  1.11187  0.514314  0.853576 0.426788  
1 1 1 9  1  48 o 0.790571 0.395285  0.749217     2.67419  1.5267       3.77223  -0.0362687   3.7916   ?        ?         ?        ?         
1 1 1 9  2  0  o 5.25992  0.0556129 27.6767      0.584891 27.6767      0.584891 27.6767      0.584891 5.26039  0.0393158 ?        ?         
1 1 1 9  2  1  o 23.7861  0.162418  566.026      7.72657  568.3        10.8487  563.686      11.0071  23.8286  0.22764   23.7313  0.23191   
1 1 1 9  2  2  o 15.7967  0.11228   249.588      3.5473   249.353      4.79124  249.874      5.27718  15.7878  0.151739  15.8036  0.166962  
1 1 1 9  2  3  o 15.9618  0.108718  254.831      3.47066  257.82       4.96443  251.973      4.85394  16.0533  0.154623  15.8703  0.152925  
1 1 1 9  2  4  f 6.77572  0.0501745 45.9125      0.679937 46.3565      0.948561 45.4434      0.975141 6.80824  0.0696627 6.74083  0.0723309 
1 1 1 9  2  5  o 12.0336  0.0831717 144.828      2.00172  144.073      2.75939  145.667      2.90817  12.0014  0.114961  12.0675  0.120496  
1 1 1 9  2  6  o 32.0032  0.211684  1025.17      13.5492  1024.19      19.1418  1026.16      19.1811  31.9724  0.299349  32.0031  0.299676  
1 1 1 9  2  7  o 10.1068  0.0705282 102.159      1.42563  103.968      2.04802  100.459      1.98573  10.1953  0.100439  10.0218  0.0990701 
1 1 1 9  2  8  o 12.9763  0.0896206 168.416      2.32589  168.737      3.328    168.109      3.25193  12.9874  0.128124  12.9633  0.125428  
1 1 1 9  2  9  o 7.87456  0.0609047 62.0143      0.959196 61.2043      1.37459  62.7831      1.33912  7.82258  0.0878602 7.92288  0.0845099 
1 1 1 9  2  10 o 15.1437  0.121917  229.418      3.69254  228.002      5.18986  230.87       5.25484  15.094   0.171918  15.1886  0.172986  
1 1 1 9  2  11 o 1.13359  0.153896  1.28584      0.348911 0.836064     0.488939 1.75255      0.498056 0.902869 0.257879  1.32322  0.188199  
1 1 1 9  2  12 o 20.0035  0.162035  400.43       6.48254  394.522      9.1825   406.3        9.15297  19.848   0.231321  20.1426  0.227205  
1 1 1 9  2  13 o 8.33802  0.0780265 69.5342      1.30117  68.4134      1.88641  70.5513      1.79711  8.26977  0.114055  8.39816  0.106994  
1 1 1 9  2  14 o 6.07714  0.0642065 36.9355      0.780384 37.0548      1.12068  36.8232      1.08733  6.0866   0.0920613 6.06759  0.0896017 
1 1 1 9  2  15 o 6.77864  0.0708948 45.9555      0.961142 44.5883      1.33751  47.4155      1.38211  6.67663  0.100163  6.88505  0.10037   
1 1 1 9  2  16 o 3.28792  0.0868935 10.8121      0.571398 10.5525      0.809225 11.0703      0.806937 3.24792  0.124576  3.32667  0.121283  
1 1 1 9  2  17 o 7.73012  0.0713452 59.7599      1.10301  59.8778      1.5751   59.6465      1.54513  7.73738  0.101785  7.72245  0.100042  
1 1 1 9  2  18 o 14.5349  0.104854  211.298      3.04811  211.439      4.36036  211.165      4.26265  14.5385  0.149959  14.5292  0.146693  
1 1 1 9  2  19 o 10.4617  0.085983  109.46       1.79906  109.855      2.5789   109.085      2.51098  10.48    0.12304   10.4432  0.12022   
1 1 1 9  2  20 o 16.2073  0.116078  262.734      3.76261  267.089      5.33455  258.423      5.30783  16.3393  0.163243  16.0719  0.165127  
1 1 1 9  2  21 o 4.4856   0.0948968 20.1241      0.851338 21.105       1.18804  19.0888      1.22057  4.59326  0.129324  4.36824  0.139709  
1 1 1 9  2  22 o 5.16937  0.0942947 26.7275      0.974889 25.96        1.36263  27.5323      1.39535  5.09412  0.133746  5.24612  0.132989  
1 1 1 9  2  23 o 2.59133  0.197723  6.7213       1.02473  8.54468      1.45399  4.92182      1.44443  2.92093  0.248892  2.21566  0.32596   
1 1 1 9  2  24 o 6.98068  0.0970727 48.743       1.35527  47.6612      1.91329  49.8324      1.92001  6.90181  0.138608  7.05734  0.136029  
1 1 1 9  2  25 o 2.40408  0.253582  5.79272      1.21926  6.02309      1.69785  5.54742      1.75201  2.44898  0.346645  2.3495   0.372847  
1 1 1 9  2  26 o 9.36688  0.10113   87.7808      1.89455  86.0202      2.65975  89.5941      2.69928  9.27018  0.143458  9.46085  0.142655  
1 1 1 9  2  27 o 9.5067   0.102083  90.4326      1.94095  88.1309      2.70446  92.8773      2.78724  9.38207  0.144129  9.63135  0.144696  
1 1 1 9  2  28 o 5.47442  0.10773   29.9951      1.17952  31.1096      1.69421  28.9467      1.64313  5.57278  0.152008  5.37551  0.152835  
1 1 1 9  2  29 o 1.64353  0.293172  2.8066       0.929013 2.84434      1.32045  2.76961      1.3073   1.64066  0.404456  1.61921  0.404447  
1 1 1 9  2  30 o 6.28999  0.098793  39.6113      1.24281  42.2088      1.79096  37.1986      1.72605  6.48925  0.137994  6.09157  0.141675  
1 1 1 9  2  31 o 7.55318  0.0951698 57.1277      1.43767  58.3195      2.05349  55.982       2.01345  7.6263   0.134632  7.47188  0.134735  
1 1 1 9  2  32 o 3.74296  0.132224  14.055       0.98982  15.3115      1.41458  12.8497      1.38551  3.90114  0.181303  3.57223  0.193928  
1 1 1 9  2  33 o 0.747641 0.322657  -0.0696009   0.880089 0.196072     1.24531  -0.334693    1.24395  0.938553 0.39351   0.84605  0.373872  
1 1 1 9  2  34 o 1.26462  0.362003  1.6993       0.962457 2.99264      1.3856   0.493497     1.33789  1.65963  0.417499  1.02054  0.415662  
1 1 1 9  2  35 o 4.44258  0.131164  19.8446      1.16541  20.6618      1.65483  19.0404      1.64154  4.52123  0.183006  4.33862  0.189178  
1 1 1 9  2  36 o 3.23851  0.173092  10.6003      1.12112  11.0179      1.61022  10.2075      1.56188  3.28385  0.245173  3.16024  0.247114  
1 1 1 9  2  37 o 4.78117  0.139224  23.0383      1.33131  21.6821      1.89607  24.3572      1.86973  4.61684  0.205343  4.89902  0.190827  
1 1 1 9  2  38 o 0.998475 0.372098  0.876673     0.994977 0.6628       1.42408  1.08065      1.39073  1.05324  0.428888  1.13092  0.435063  
1 1 1 9  2  39 o 1.77886  0.296426  3.33349      1.0546   3.40435      1.47821  3.26004      1.50502  1.71836  0.430595  1.67678  0.442344  
1 1 1 9  2  40 o 2.45539  0.219399  6.24473      1.07742  6.09789      1.49304  6.40429      1.55634  2.38437  0.313089  2.44047  0.318859  
1 1 1 9  2  41 o 0.80844  0.348617  0.0955457    1.02584  -0.323421    1.43528  0.533076     1.46673  0.870148 0.391851  1.01058  0.425539  
1 1 1 9  2  42 o 1.66667  0.329398  3.16957      1.05892  3.54463      1.47437  2.76997      1.52184  1.69257  0.433603  1.47899  0.463314  
1 1 1 9  2  43 o 1.53027  0.339649  2.76248      1.01212  3.26897      1.41742  2.23558      1.4457   1.59453  0.433245  1.31666  0.453096  
1 1 1 9  2  44 o 1.37816  0.377884  2.43486      1.0723   4.05087      1.53765  0.904986     1.49611  1.71823  0.444282  1.0007   0.425935  
1 1 1 9  2  45 o 0.720701 0.332018  -0.261787    1.11224  0.255249     1.53697  -0.830231    1.61157  0.881071 0.400308  0.779998 0.372384  
1 1 1 9  2  46 o 0.685386 0.32733   -0.614326    1.24803  -1.88735     1.77829  0.621285     1.75196  0.701429 0.346381  0.897732 0.414762  
1 1 1 9  2  47 o 0.653865 0.329193  -2.46643     1.95347  -2.75856     2.57202  -2.06819     3.00303  0.715946 0.362075  0.771453 0.390375  
1 1 1 9  2  48 o 0.732279 0.370189  -0.60148     2.62401  -6.82206     4.82581  2.0097       3.12661  ?        ?         0.821098 0.414021  
1 1 1 9  3  0  o 4.13601  0.0583627 17.1173      0.482561 17.1173      0.482561 17.1173      0.482561 4.13666  0.0412529 ?        ?         
1 1 1 9  3  1  o 19.6282  0.137515  385.391      5.39836  382.793      7.50414  388.179      7.77175  19.5588  0.191836  19.6955  0.197298  
1 1 1 9  3  2  o 28.6018  0.199733  818.637      11.4255  814.824      15.9075  822.7        16.4208  28.5251  0.278833  28.6615  0.28646   
1 1 1 9  3  3  o 20.9472  0.143725  438.951      6.02127  441.032      8.46621  436.821      8.56538  20.9928  0.201646  20.892   0.204992  
1 1 1 9  3  4  o 7.69063  0.0550085 59.1493      0.8461   59.5594      1.18938  58.7292      1.20388  7.71702  0.0770622 7.66303  0.0785513 
1 1 1 9  3  5  o 5.6185   0.0445398 31.5689      0.500494 31.5319      0.706432 31.6061      0.709187 5.6151   0.0629046 5.6217   0.0630759 
1 1 1 9  3  6  o 1.4436   0.074245  2.08422      0.21436  2.14474      0.300136 2.02121      0.306257 1.46432  0.102483  1.42151  0.107722  
1 1 1 9  3  7  o 11.0349  0.0770161 121.785      1.69973  121.467      2.37258  122.121      2.43626  11.0198  0.107651  11.0493  0.110245  
1 1 1 9  3  8  o 7.17529  0.0551788 51.4885      0.791848 50.8492      1.10771  52.1565      1.13238  7.13035  0.0776758 7.22142  0.0784043 
1 1 1 9  3  9  o 25.2555  0.16956   638.291      8.56463  637.748      11.977   638.86       12.2522  25.236   0.237299  25.2572  0.242548  
1 1 1 9  3  10 o 6.05617  0.0643566 36.6811      0.779509 36.1851      1.09454  37.1917      1.11042  6.01476  0.0909875 6.09784  0.0910502 
1 1 1 9  3  11 o 6.0456   0.0584709 36.5526      0.706983 35.922       1.00354  37.174       0.996153 5.99293  0.0837269 6.09651  0.0816987 
1 1 1 9  3  12 o 7.67314  0.0743474 58.886       1.14096  59.5844      1.6323   58.2189      1.59544  7.7179   0.105748  7.62898  0.104565  
1 1 1 9  3  13 o 0.917997 0.245513  0.873403     0.459665 1.31034      0.692285 0.528876     0.614732 1.12414  0.301594  0.807357 0.293674  
1 1 1 9  3  14 o 3.02197  0.0839244 9.13393      0.507234 8.50651      0.723084 9.7418       0.711726 2.91602  0.123985  3.12067  0.114034  
1 1 1 9  3  15 o 3.7291   0.0774513 13.9082      0.577648 13.6996      0.805482 14.1291      0.828854 3.70077  0.108826  3.75832  0.110269  
1 1 1 9  3  16 o 8.49845  0.0749555 72.232       1.27401  73.3912      1.86993  71.2277      1.74048  8.5658   0.109151  8.43871  0.103125  
1 1 1 9  3  17 o 9.62     0.0798465 92.5543      1.53625  92.8866      2.20486  92.2407      2.14168  9.6367   0.114399  9.60319  0.111509  
1 1 1 9  3  18 o 17.4835  0.123866  305.74       4.33122  307.291      6.15328  304.216      6.09764  17.5257  0.17555   17.4378  0.17484   
1 1 1 9  3  19 o 4.07813  0.0874205 16.6331      0.713024 16.5925      1.02646  16.6709      0.991205 4.0729   0.126011  4.08254  0.121396  
1 1 1 9  3  20 o 22.7879  0.154793  519.491      7.05481  522.521      10.0248  516.519      9.92988  22.8495  0.219366  22.718   0.218547  
1 1 1 9  3  21 o 5.25772  0.0861088 27.6477      0.905471 28.3034      1.27128  26.9725      1.28999  5.31933  0.119496  5.1927   0.124211  
1 1 1 9  3  22 o 14.893   0.112256  221.862      3.34365  223.516      4.75398  220.243      4.7037   14.9464  0.159035  14.8365  0.158517  
1 1 1 9  3  23 o 15.5971  0.135917  243.379      4.23982  242.943      5.97721  243.821      6.015    15.5796  0.191829  15.6076  0.192694  
1 1 1 9  3  24 o 4.47974  0.12383   20.077       1.10945  17.7029      1.55219  22.5568      1.58637  4.2054   0.184547  4.74747  0.167075  
1 1 1 9  3  25 o 10.8142  0.110766  116.999      2.39568  118.286      3.44124  115.788      3.33717  10.871   0.158276  10.7558  0.155134  
1 1 1 9  3  26 o 7.33889  0.104696  53.8877      1.5367   55.0972      2.16046  52.6491      2.18622  7.41895  0.145604  7.252    0.150732  
1 1 1 9  3  27 o 5.40775  0.115829  29.2672      1.25275  27.8042      1.77284  30.7263      1.77047  5.2685   0.168249  5.53889  0.159821  
1 1 1 9  3  28 o 4.77315  0.119553  22.8075      1.14129  22.5637      1.58856  23.0676      1.64074  4.74505  0.167391  4.79752  0.170999  
1 1 1 9  3  29 o 6.7946   0.0972782 46.212       1.32193  44.5642      1.82489  48.0313      1.91754  6.66922  0.136814  6.92363  0.138478  
1 1 1 9  3  30 o 6.83677  0.0980074 46.7973      1.34011  46.773       1.87067  46.8229      1.92072  6.83109  0.136923  6.83431  0.14052   
1 1 1 9  3  31 o 6.96934  0.0973934 48.6412      1.35753  49.6586      1.90148  47.5836      1.93874  7.03708  0.135105  6.88767  0.14074   
1 1 1 9  3  32 o 3.67694  0.134247  13.5655      0.987235 12.7423      1.37411  14.4438      1.41931  3.55722  0.193144  3.78806  0.18734   
1 1 1 9  3  33 o 3.44893  0.141301  11.9471      0.97467  11.857       1.36167  12.0417      1.39574  3.42873  0.198568  3.45482  0.201999  
1 1 1 9  3  34 o 1.13165  0.373575  1.28281      0.981914 0.816569     1.35807  1.79351      1.42136  1.0921   0.427888  1.3346   0.449462  
1 1 1 9  3  35 o 5.14731  0.117481  26.6123      1.20942  28.3253      1.71375  24.9126      1.70703  5.29963  0.161685  4.96742  0.171823  
1 1 1 9  3  36 o 4.04757  0.152492  16.5189      1.23445  15.9434      1.6674   17.217       1.83634  3.96137  0.210458  4.11249  0.223263  
1 1 1 9  3  37 o 0.851496 0.362769  0.0921845    1.08708  -0.14513     1.4897   0.362501     1.58991  0.944298 0.413673  1.05322  0.44325   
1 1 1 9  3  38 o 0.945585 0.368524  0.669009     1.00464  0.251595     1.42997  1.07586      1.41176  0.979869 0.416721  1.1334   0.437857  
1 1 1 9  3  39 o 2.9266   0.191843  8.75817      1.1229   8.94489      1.55652  8.55553      1.62151  2.92759  0.265836  2.85474  0.284003  
1 1 1 9  3  40 o 4.03139  0.145472  16.5085      1.17291  17.4103      1.65617  15.6011      1.66133  4.11107  0.201428  3.88439  0.213847  
1 1 1 9  3  41 o 0.878867 0.35998   0.462521     1.00913  1.05794      1.42478  -0.136833    1.42948  1.09944  0.43599   0.893713 0.397107  
1 1 1 9  3  42 o 1.15768  0.385339  1.55363      1.04473  1.06171      1.49398  2.02438      1.4615   1.08791  0.440646  1.29216  0.454506  
1 1 1 9  3  43 o 2.44738  0.21821   6.3573       1.06809  5.61268      1.51795  7.08748      1.50316  2.2062   0.344019  2.52122  0.298102  
1 1 1 9  3  44 o 1.042    0.38651   1.31099      1.07105  0.415772     1.53764  2.1547       1.49275  0.930516 0.412859  1.24265  0.457081  
1 1 1 9  3  45 o 0.764859 0.3422    0.109895     1.07826  1.28682      1.51517  -1.09772     1.53479  1.02643  0.432376  0.737117 0.354651  
1 1 1 9  3  46 o 0.827234 0.370936  0.505636     1.27324  -0.144715    1.83957  1.1037       1.76407  0.833612 0.39795   0.951778 0.431195  
1 1 1 9  3  47 o 0.863188 0.412638  1.09789      1.99534  0.151903     2.62025  2.40367      3.07848  0.828922 0.411676  0.937253 0.461608  
1 1 1 9  3  48 o ?        ?         -3.09842     2.39256  -6.56115     3.60846  -0.381845    3.19612  ?        ?         ?        ?         
1 1 1 9  4  0  o 23.0632  0.231359  532.327      10.6693  532.327      10.6693  532.327      10.6693  23.0677  0.163545  ?        ?         
1 1 1 9  4  1  o 10.1678  0.0743969 103.395      1.51291  104.043      2.23389  102.845      2.05628  10.199   0.109515  10.1403  0.101391  
1 1 1 9  4  2  o 31.786   0.22467   1011.29      14.2827  1016.72      20.3095  1005.97      20.0899  31.8557  0.318773  31.6872  0.317004  
1 1 1 9  4  3  o 24.4207  0.167157  596.686      8.16418  593.466      11.6177  599.827      11.4754  24.3477  0.238578  24.4783  0.2344    
1 1 1 9  4  4  o 11.9324  0.0807244 142.401      1.92647  142.829      2.73296  141.977      2.71601  11.9495  0.114354  11.9139  0.113985  
1 1 1 9  4  5  o 15.6333  0.106973  244.459      3.34469  244.196      4.62869  244.746      4.83848  15.6231  0.148136  15.6404  0.154679  
1 1 1 9  4  6  o 11.1118  0.0770545 123.488      1.71243  125.462      2.43057  121.542      2.413    11.1995  0.108512  11.0232  0.109451  
1 1 1 9  4  7  o 3.36332  0.0488301 11.3125      0.328462 11.4305      0.453809 11.1827      0.476016 3.38073  0.0671171 3.34386  0.0711778 
1 1 1 9  4  8  o 15.2866  0.106653  233.744      3.26073  232.998      4.5506   234.532      4.67463  15.2602  0.1491    15.3101  0.152665  
1 1 1 9  4  9  o 14.8815  0.104211  221.518      3.10162  221.138      4.33081  221.918      4.44408  14.8668  0.145654  14.8927  0.149203  
1 1 1 9  4  10 o 17.1268  0.139121  293.473      4.76537  294.389      6.65672  292.51       6.82492  17.1493  0.194081  17.0941  0.199628  
1 1 1 9  4  11 o 20.2402  0.138649  409.879      5.61257  411.701      7.96533  408.082      7.9097   20.2799  0.196385  20.1906  0.195876  
1 1 1 9  4  12 o 1.92539  0.123968  3.70873      0.477376 4.0833       0.68552  3.35608      0.665164 2.01991  0.169691  1.83112  0.181628  
1 1 1 9  4  13 o 6.34523  0.0665065 40.2667      0.843998 39.7101      1.18907  40.8318      1.19816  6.30084  0.0943583 6.38922  0.0937645 
1 1 1 9  4  14 o 19.1253  0.138562  365.952      5.30009  365.76       7.68315  366.128      7.32089  19.1151  0.20097   19.1256  0.191389  
1 1 1 9  4  15 o 4.18964  0.071326  17.5552      0.59766  17.8956      0.851533 17.2246      0.839042 4.22981  0.100659  4.14975  0.101096  
1 1 1 9  4  16 o 4.63699  0.0719703 21.5039      0.667451 21.9184      0.974801 21.138       0.915796 4.6812   0.104119  4.59715  0.0996048 
1 1 1 9  4  17 o 10.4586  0.0840538 109.395      1.75817  109.756      2.5211   109.053      2.45315  10.4752  0.120336  10.4416  0.11747   
1 1 1 9  4  18 o 2.38869  0.130492  5.70728      0.623408 6.07088      0.900263 5.37228      0.864113 2.4633   0.182735  2.31722  0.186455  
1 1 1 9  4  19 o 15.6165  0.114416  243.922      3.57354  248.868      5.09077  239.118      5.01752  15.7724  0.161382  15.4603  0.162271  
1 1 1 9  4  20 o 7.01647  0.0781345 49.2359      1.09646  49.134       1.51952  49.3465      1.58372  7.00886  0.1084    7.02395  0.112737  
1 1 1 9  4  21 o 6.29413  0.0815556 39.6214      1.02664  39.6015      1.43825  39.6422      1.46593  6.29214  0.11429   6.29533  0.11643   
1 1 1 9  4  22 o 3.76705  0.121933  14.1953      0.918659 14.9973      1.30849  13.4157      1.29006  3.87143  0.168994  3.6615   0.176166  
1 1 1 9  4  23 o 12.3092  0.107086  151.559      2.63628  151.625      3.78005  151.497      3.67855  12.31    0.153536  12.305   0.149474  
1 1 1 9  4  24 o 9.06903  0.103731  82.2733      1.88147  82.4098      2.68047  82.1408      2.64156  9.07505  0.147683  9.06031  0.145777  
1 1 1 9  4  25 o 10.6036  0.108384  112.485      2.2985   114.704      3.34737  110.505      3.16172  10.705   0.156345  10.5077  0.150448  
1 1 1 9  4  26 o 9.92482  0.105982  98.5563      2.10371  98.6339      2.91968  98.4726      3.03379  9.92618  0.14707   9.91763  0.152949  
1 1 1 9  4  27 o 5.37195  0.11362   28.8805      1.22072  29.3944      1.77572  28.42        1.6809   5.4172   0.163896  5.32698  0.157772  
1 1 1 9  4  28 o 3.96662  0.135929  15.7566      1.07836  17.7141      1.52396  13.7935      1.5261   4.20342  0.181276  3.70783  0.205793  
1 1 1 9  4  29 o 2.95453  0.161334  8.7531       0.953334 9.7956       1.35277  7.72451      1.34371  3.12215  0.21664   2.77081  0.242476  
1 1 1 9  4  30 f 0.865354 0.346902  0.371993     0.91254  1.27926      1.29427  -0.524851    1.28681  1.20047  0.427159  0.83796  0.374397  
1 1 1 9  4  31 o 2.45637  0.190735  6.06749      0.937035 6.03701      1.31788  6.09865      1.33258  2.44327  0.269697  2.45554  0.271341  
1 1 1 9  4  32 o 2.53764  0.181989  6.48017      0.923644 6.99188      1.2966   5.95297      1.31608  2.62906  0.24659   2.42294  0.271587  
1 1 1 9  4  33 o 3.53069  0.137281  12.5179      0.969391 10.6788      1.34698  14.4939      1.39619  3.25246  0.207071  3.79292  0.184053  
1 1 1 9  4  34 o 2.23315  0.227311  5.05873      1.01524  4.26568      1.44037  5.84171      1.4312   1.9978   0.374323  2.38753  0.299724  
1 1 1 9  4  35 o 3.03389  0.165971  9.28711      1.00707  9.31164      1.44033  9.26365      1.40864  3.02329  0.238205  3.01657  0.233483  
1 1 1 9  4  36 o 2.54796  0.228056  6.6138       1.16215  8.90619      1.66052  4.4129       1.62705  2.94197  0.282213  2.00455  0.419398  
1 1 1 9  4  37 o 2.65422  0.21093   7.17705      1.11971  6.72341      1.53744  7.68945      1.63399  2.54404  0.302166  2.72133  0.300218  
1 1 1 9  4  38 o 1.56508  0.338121  2.68779      1.02833  2.17722      1.46933  3.17797      1.43968  1.40151  0.456984  1.67102  0.428703  
1 1 1 9  4  39 f 5.17665  0.127994  27.069       1.32516  28.4924      1.87794  25.6573      1.87019  5.28605  0.177631  5.01116  0.186603  
1 1 1 9  4  40 o 1.22988  0.384355  1.7032       1.04817  1.72673      1.49191  1.68027      1.47294  1.26565  0.457786  1.25312  0.454707  
1 1 1 9  4  41 f 0.679874 0.315805  -0.708605    1.03346  -0.355018    1.50267  -1.02596     1.4236   0.883198 0.399158  0.778537 0.364693  
1 1 1 9  4  42 o 2.40997  0.228004  6.13562      1.09896  6.22058      1.59598  6.05902      1.51548  2.35137  0.339374  2.33139  0.325016  
1 1 1 9  4  43 o 1.52817  0.349732  2.78624      1.04629  1.34289      1.49539  4.17048      1.46445  1.11652  0.445433  1.82598  0.410939  
1 1 1 9  4  44 o 0.849302 0.359089  0.505265     1.05145  0.522306     1.50407  0.488978     1.47046  0.937896 0.413214  0.927308 0.408558  
1 1 1 9  4  45 o 1.11345  0.389996  1.70728      1.0751   1.53131      1.50245  1.89192      1.53905  1.06418  0.438125  1.13166  0.451758  
1 1 1 9  4  46 o 0.713688 0.338372  -0.443874    1.30066  -1.0536      1.81125  0.205316     1.86894  0.759074 0.369844  0.866246 0.408597  
1 1 1 9  4  47 o 1.10403  0.469386  3.18959      1.81328  2.87133      2.62192  3.48137      2.51044  0.974812 0.467676  1.0282   0.482118  
1 1 1 9  4  48 o 0.70621  0.357032  -0.562974    2.46773  -1.77566     3.86189  0.273882     3.20813  ?        ?         ?        ?         
1 1 1 9  5  0  o 11.3086  0.11814   127.943      2.67134  127.943      2.67134  127.943      2.67134  11.3099  0.0835178 ?        ?         
1 1 1 9  5  1  o 20.9179  0.148354  437.739      6.20652  440.365      8.83288  435.178      8.72284  20.976   0.210547  20.8522  0.209159  
1 1 1 9  5  2  o 7.46795  0.0578113 55.7739      0.863464 53.7142      1.21152  57.9002      1.23096  7.32851  0.0826577 7.60873  0.0808913 
1 1 1 9  5  3  o 11.3101  0.0840205 127.936      1.90056  129.279      2.78444  126.765      2.60057  11.3684  0.122464  11.2575  0.115504  
1 1 1 9  5  4  o 32.3172  0.218447  1045.42      14.1192  1045.77      19.9681  1045.07      19.967   32.3063  0.309044  32.2956  0.309129  
1 1 1 9  5  5  f 5.14017  0.0469256 26.4225      0.482411 25.9026      0.672853 26.9725      0.692015 5.08922  0.0661057 5.19326  0.0666263 
1 1 1 9  5  6  o 8.97479  0.0634636 80.5541      1.13914  79.4284      1.5903   81.7404      1.63251  8.91146  0.0892279 9.04021  0.0902918 
1 1 1 9  5  7  o 2.95288  0.0511478 8.72001      0.302066 8.70845      0.411188 8.73355      0.445211 2.95084  0.069673  2.95506  0.0753302 
1 1 1 9  5  8  o 24.0523  0.161521  578.879      7.76989  586.778      11.0089  571.038      10.9678  24.2082  0.227379  23.881   0.229635  
1 1 1 9  5  9  o 15.8011  0.119855  249.765      3.78767  248.75       5.33738  250.794      5.37597  15.7661  0.169268  15.8307  0.169796  
1 1 1 9  5  10 o 22.559   0.169146  509.292      7.63155  511.562      10.3046  506.535      11.3573  22.6023  0.227955  22.4875  0.252526  
1 1 1 9  5  11 o 17.5744  0.133543  309.01       4.6939   308.654      6.62987  309.367      6.6465   17.56    0.188777  17.5803  0.189033  
1 1 1 9  5  12 o 2.0206   0.114267  4.08431      0.461774 3.71424      0.639632 4.48714      0.667343 1.92649  0.166009  2.11755  0.157574  
1 1 1 9  5  13 o 12.1014  0.0922786 146.477      2.2334   145.924      3.14952  147.037      3.16757  12.0772  0.130391  12.1231  0.130642  
1 1 1 9  5  14 o 26.2826  0.199908  691.453      10.5082  694.518      15.5618  688.884      14.2468  26.3251  0.29557   26.2225  0.271653  
1 1 1 9  5  15 o 16.9126  0.118646  286.132      4.01325  287.953      5.83683  284.498      5.52701  16.9632  0.172044  16.8617  0.163892  
1 1 1 9  5  16 o 18.2505  0.130335  333.19       4.75737  332.496      6.71681  333.888      6.73913  18.2285  0.184239  18.2666  0.184466  
1 1 1 9  5  17 o 10.5832  0.0837005 112.016      1.77163  113.437      2.58931  110.764      2.42927  10.6494  0.12157   10.5233  0.115423  
1 1 1 9  5  18 o 47.5073  0.318016  2260.31      30.2162  2267.53      43.3318  2253.47      42.1567  47.5445  0.455698  47.4004  0.444687  
1 1 1 9  5  19 o 18.8159  0.13439   354.135      5.05736  357.321      7.47042  351.439      6.87143  18.8973  0.197659  18.7419  0.183318  
1 1 1 9  5  20 o 14.7524  0.110035  217.679      3.24656  215.603      4.50751  219.918      4.68001  14.6804  0.153521  14.8264  0.157827  
1 1 1 9  5  21 o 12.6245  0.101955  159.413      2.57426  159.137      3.51811  159.73       3.77673  12.6124  0.13947   12.6356  0.149449  
1 1 1 9  5  22 o 13.3358  0.110733  177.892      2.95343  174.329      4.15938  181.515      4.1944   13.1998  0.157555  13.4692  0.155704  
1 1 1 9  5  23 o 13.6708  0.109981  186.95       3.00706  188.622      4.27479  185.311      4.23081  13.7297  0.155676  13.6087  0.155445  
1 1 1 9  5  24 o 4.56852  0.136317  20.883       1.24553  20.272       1.80179  21.4423      1.72371  4.49972  0.200212  4.62816  0.186219  
1 1 1 9  5  25 o 8.4469   0.0995114 71.3775      1.68113  70.7529      2.35178  72.0302      2.40403  8.40827  0.139849  8.48374  0.141685  
1 1 1 9  5  26 o 1.66677  0.362384  2.90576      1.17427  4.93531      1.67731  0.954804     1.64452  2.17888  0.399829  1.21824  0.472173  
1 1 1 9  5  27 o 7.48244  0.102841  56.0238      1.539    56.3155      2.26492  55.7736      2.09765  7.499    0.151015  7.46355  0.140526  
1 1 1 9  5  28 o 7.50336  0.100793  56.3458      1.51257  56.3271      2.16641  56.3636      2.11279  7.49886  0.144449  7.5016   0.140822  
1 1 1 9  5  29 o 3.85651  0.132078  14.9003      1.01872  13.8607      1.44288  15.9337      1.43852  3.71557  0.194167  3.98483  0.180499  
1 1 1 9  5  30 o 6.64462  0.0981595 44.2063      1.30446  43.3392      1.87013  45.0279      1.82045  6.57459  0.142224  6.70224  0.135809  
1 1 1 9  5  31 o 4.66943  0.115533  21.8492      1.07895  22.1303      1.54511  21.5817      1.50732  4.69423  0.164575  4.63592  0.16257   
1 1 1 9  5  32 o 3.70837  0.134589  13.8002      0.998213 13.4523      1.4223   14.1379      1.4013   3.6544   0.194602  3.74741  0.18697   
1 1 1 9  5  33 o 3.20302  0.149661  10.3113      0.958733 10.168       1.36511  10.4507      1.34679  3.17224  0.215164  3.21693  0.209328  
1 1 1 9  5  34 o 2.33603  0.226677  5.53608      1.05905  5.99057      1.49998  5.0843       1.49547  2.41522  0.310526  2.2199   0.336833  
1 1 1 9  5  35 o 1.02481  0.363251  0.973408     0.935154 0.27742      1.33833  1.63742      1.30723  0.974011 0.408139  1.27238  0.43104   
1 1 1 9  5  36 o 3.61789  0.168979  13.226       1.2227   14.0038      1.69462  12.3813      1.76589  3.70658  0.228596  3.47757  0.253898  
1 1 1 9  5  37 o 2.71115  0.203648  7.4831       1.10424  9.42554      1.61391  5.77344      1.51412  3.02331  0.266911  2.34999  0.322154  
1 1 1 9  5  38 o 0.570386 0.277962  -1.73833     1.02487  -0.762266    1.51493  -2.56202     1.39167  0.858439 0.392124  0.644331 0.31623   
1 1 1 9  5  39 o 2.10088  0.263725  4.60518      1.10811  5.93072      1.59239  3.36063      1.54298  2.35174  0.338557  1.69731  0.447946  
1 1 1 9  5  40 o 0.768406 0.340784  -0.188332    1.0461   -0.756381    1.50513  0.342489     1.45497  0.84204  0.387222  0.982586 0.419186  
1 1 1 9  5  41 o 1.28582  0.377997  1.91249      1.03583  3.38845      1.50676  0.589927     1.42632  1.67163  0.443343  1.00756  0.421723  
1 1 1 9  5  42 o 1.88434  0.280224  3.85935      1.05608  4.24465      1.50338  3.48401      1.48385  1.86486  0.413985  1.66505  0.439209  
1 1 1 9  5  43 o 0.606042 0.290056  -1.06422     0.993391 -0.359072    1.39175  -1.7966      1.41836  0.821127 0.375399  0.68199  0.330943  
1 1 1 9  5  44 o 1.2003   0.390513  1.89144      1.07297  1.2613       1.53395  2.49511      1.50139  1.05695  0.43954   1.31151  0.460731  
1 1 1 9  5  45 o 0.826113 0.354783  0.519173     1.05446  0.253912     1.47482  0.796582     1.50821  0.859948 0.39109   0.939134 0.413768  
1 1 1 9  5  46 o 0.661185 0.322514  -1.23974     1.39162  -2.18616     1.91502  -0.180728    2.02573  0.706911 0.351199  0.849938 0.408569  
1 1 1 9  5  47 o 0.753472 0.366712  -0.0875649   1.76414  -1.8678      2.59771  1.43624      2.40335  0.739744 0.373096  0.882453 0.429025  
1 1 1 9  5  48 o 0.856247 0.424632  3.38947      2.7444   2.56983      4.03032  4.09809      3.74743  ?        ?         0.825035 0.420611  
1 1 1 9  6  0  o 16.8311  0.165684  283.444      5.57609  283.444      5.57609  283.444      5.57609  16.8334  0.117128  ?        ?         
1 1 1 9  6  1  o 22.6496  0.160451  513.263      7.26832  517.796      10.3715  508.889      10.1889  22.7434  0.22801   22.5472  0.225946  
1 1 1 9  6  2  o 14.2937  0.102321  204.352      2.92508  206.431      4.17878  202.354      4.09585  14.3647  0.145453  14.2221  0.143996  
1 1 1 9  6  3  o 26.2576  0.18622   689.95       9.77938  688.995      13.8158  690.909      13.8445  26.2299  0.263361  26.2663  0.263541  
1 1 1 9  6  4  o 35.4082  0.244688  1255.32      17.3279  1260.54      25.1819  1250.63      23.8806  35.4563  0.355112  35.3211  0.33805   
1 1 1 9  6  5  o 27.0395  0.181171  731.661      9.79757  729.685      13.9699  733.575      13.7446  26.9926  0.258771  27.0653  0.253916  
1 1 1 9  6  6  o 4.15899  0.0433781 17.298       0.360819 16.9602      0.512937 17.6288      0.507654 4.11809  0.0622785 4.19849  0.0604567 
1 1 1 9  6  7  o 17.3777  0.116458  302.083      4.04756  299.473      5.67843  304.778      5.77092  17.2997  0.164119  17.4522  0.165335  
1 1 1 9  6  8  o 21.5548  0.14519   464.851      6.25909  460.382      8.68328  469.684      9.03031  21.4456  0.202449  21.6605  0.208451  
1 1 1 9  6  9  o 15.2158  0.11435   231.599      3.47984  228.62       4.80161  234.894      5.05028  15.1153  0.158833  15.3209  0.164817  
1 1 1 9  6  10 f 23.3515  0.170491  545.714      7.96244  552.276      11.3827  539.426      11.1423  23.4822  0.242369  23.2078  0.240056  
1 1 1 9  6  11 o 11.8134  0.0962926 139.591      2.27508  139.445      3.21305  139.738      3.22186  11.8057  0.136081  11.8181  0.136311  
1 1 1 9  6  12 f 10.3771  0.0841884 107.706      1.74727  107.251      2.4264   108.196      2.51818  10.3542  0.117169  10.3996  0.121071  
1 1 1 9  6  13 o 11.5872  0.0892882 134.291      2.0692   134.409      2.9293   134.174      2.92329  11.5911  0.12636   11.5809  0.126211  
1 1 1 9  6  14 o 6.93521  0.072868  48.1033      1.01071  50.0331      1.46026  46.3287      1.40034  7.07248  0.103236  6.80563  0.102881  
1 1 1 9  6  15 o 6.41098  0.0688817 41.1051      0.883198 39.9339      1.3257   42.0398      1.18429  6.31851  0.104906  6.48317  0.0913358 
1 1 1 9  6  16 o 16.1573  0.119837  261.128      3.8725   259.71       5.58596  262.44       5.37332  16.111   0.173358  16.1959  0.165885  
1 1 1 9  6  17 o 3.96892  0.0834258 15.754       0.66222  15.5462      0.963147 15.9402      0.911987 3.94241  0.122152  3.99212  0.114223  
1 1 1 9  6  18 o 28.4267  0.190213  808.509      10.8143  813.702      15.3851  803.437      15.2039  28.5098  0.269821  28.3296  0.26834   
1 1 1 9  6  19 o 22.4815  0.154103  505.599      6.92893  500.738      9.618    510.843      9.99059  22.3692  0.214983  22.5933  0.221096  
1 1 1 9  6  20 o 5.51207  0.0804373 30.3864      0.886752 29.8997      1.25049  30.8786      1.25765  5.46742  0.114359  5.55622  0.113175  
1 1 1 9  6  21 o 9.56339  0.0884442 91.4733      1.69165  93.9861      2.36113  88.8229      2.42486  9.69315  0.121794  9.42297  0.128667  
1 1 1 9  6  22 o 11.3498  0.105479  128.849      2.39433  131.614      3.46979  126.336      3.30817  11.4694  0.151263  11.2372  0.147197  
1 1 1 9  6  23 o 12.7773  0.109723  163.311      2.80394  163.279      3.91651  163.345      4.0161   12.7741  0.153298  12.7765  0.157167  
1 1 1 9  6  24 o 9.86754  0.114125  97.4073      2.25227  99.2488      3.30069  95.8028      3.08102  9.95815  0.165728  9.78415  0.157449  
1 1 1 9  6  25 o 7.70781  0.096449  59.4326      1.48682  60.0524      2.09732  58.8064      2.10809  7.74646  0.135373  7.66559  0.137503  
1 1 1 9  6  26 o 7.19541  0.110116  51.8064      1.58466  53.8078      2.28268  49.9445      2.20162  7.3308   0.155691  7.06272  0.155862  
1 1 1 9  6  27 o 4.06008  0.136419  16.5038      1.10774  15.9808      1.57232  17.0192      1.56091  3.9926   0.196905  4.12067  0.1894    
1 1 1 9  6  28 o 3.91049  0.136918  15.3155      1.07084  15.8354      1.54275  14.8322      1.48754  3.97317  0.194146  3.8453   0.193423  
1 1 1 9  6  29 o 2.22079  0.215678  4.95673      0.957949 2.75401      1.36026  7.12412      1.3493   1.61417  0.4181    2.65988  0.253639  
1 1 1 9  6  30 o 4.13673  0.128982  17.1506      1.06712  16.9172      1.54933  17.3612      1.47193  4.10329  0.188791  4.15798  0.177     
1 1 1 9  6  31 o 4.07065  0.127147  16.6131      1.03514  17.04        1.49473  16.2197      1.43493  4.117    0.181531  4.01702  0.178606  
1 1 1 9  6  32 f 7.14777  0.0992435 51.1898      1.41874  50.7547      2.00793  51.6236      2.00487  7.1103   0.141199  7.17119  0.139786  
1 1 1 9  6  33 o 1.6012   0.290037  2.69086      0.894674 1.85444      1.28913  3.46808      1.24266  1.34087  0.427314  1.80703  0.356536  
1 1 1 9  6  34 o 1.5413   0.340469  2.54526      1.02147  2.92593      1.44693  2.16705      1.44224  1.63769  0.4345    1.43163  0.451543  
1 1 1 9  6  35 o 1.3785   0.345852  2.0523       0.952755 2.77421      1.3786   1.39222      1.31823  1.58885  0.425293  1.21035  0.431053  
1 1 1 9  6  36 o 1.04046  0.391973  0.894075     1.11002  0.460637     1.54072  1.36187      1.60062  1.06127  0.44087   1.24897  0.470657  
1 1 1 9  6  37 o 1.78339  0.291026  3.30227      1.03803  3.67853      1.48923  2.94673      1.44764  1.81524  0.418484  1.61907  0.436913  
1 1 1 9  6  38 o 3.64203  0.156749  13.4456      1.14177  13.0233      1.64892  13.8346      1.58253  3.55579  0.231863  3.67219  0.215476  
1 1 1 9  6  39 o 1.25304  0.383151  1.7456       1.04928  2.83896      1.49439  0.682393     1.47364  1.56055  0.45251   1.05747  0.434387  
1 1 1 9  6  40 o 1.87349  0.27982   3.71687      1.04848  3.16205      1.49789  4.24985      1.46811  1.62979  0.44651   1.92527  0.394857  
1 1 1 9  6  41 o 1.39644  0.366813  2.25744      1.03773  1.89385      1.50095  2.5904       1.43633  1.28806  0.459835  1.46282  0.448485  
1 1 1 9  6  42 o 0.905167 0.366233  0.629219     1.03044  1.01189      1.47727  0.266598     1.43805  1.06888  0.436299  0.934027 0.407826  
1 1 1 9  6  43 o 0.64393  0.301113  -0.641701    0.959635 -0.888735    1.36123  -0.397622    1.35307  0.748598 0.351815  0.804421 0.368754  
1 1 1 9  6  44 o 0.936256 0.377799  0.903366     1.09244  2.02313      1.54342  -0.22084     1.54648  1.19798  0.459018  0.843801 0.389782  
1 1 1 9  6  45 o 1.06625  0.391217  1.57262      1.09295  1.75517      1.53747  1.38613      1.554    1.09241  0.445369  1.02832  0.435751  
1 1 1 9  6  46 o 0.783151 0.362008  0.132783     1.33683  1.0156       1.92786  -0.684881    1.85536  0.943801 0.435679  0.78794  0.381375  
1 1 1 9  6  47 o 0.863576 0.400513  1.28356      1.65397  2.96941      2.4071   -0.224314    2.2765   0.981938 0.463326  0.780343 0.386929  
1 1 1 9  6  48 o ?        ?         -1.88745     2.45798  -2.23704     3.92516  -1.66193     3.15265  ?        ?         ?        ?         
1 1 1 9  7  0  o 31.1659  0.298417  972.453      18.597   972.453      18.597   972.453      18.597   31.1749  0.21093   ?        ?         
1 1 1 9  7  1  o 40.0089  0.283076  1603.31      22.6512  1604.76      32.0902  1601.88      31.9773  39.9933  0.401195  39.9577  0.400139  
1 1 1 9  7  2  o 4.7044   0.0473011 22.1324      0.445046 22.017       0.669392 22.2238      0.595798 4.69197  0.0713337 4.71401  0.0631943 
1 1 1 9  7  3  o 19.6135  0.139668  384.849      5.47877  385.731      7.76939  383.977      7.72708  19.6318  0.197878  19.5872  0.197248  
1 1 1 9  7  4  o 26.4392  0.181091  699.527      9.5758   693.879      13.5939  705.09       13.4911  26.3223  0.258221  26.5347  0.254216  
1 1 1 9  7  5  f 19.7265  0.131427  389.287      5.18519  390.607      7.35814  387.985      7.30804  19.756   0.186225  19.6896  0.185581  
1 1 1 9  7  6  o 8.97964  0.0667085 80.6423      1.19804  80.5565      1.72878  80.7217      1.66176  8.97435  0.096318  8.98362  0.0924885 
1 1 1 9  7  7  o 15.8022  0.106487  249.777      3.36546  251.594      4.78933  248.005      4.73017  15.8573  0.151013  15.7438  0.150223  
1 1 1 9  7  8  o 5.83242  0.0528995 34.0195      0.617065 34.6917      0.873842 33.351       0.871486 5.88955  0.0741858 5.77462  0.0754583 
1 1 1 9  7  9  o 12.5729  0.0947229 158.115      2.38189  155.798      3.3239   160.561      3.41495  12.479   0.133179  12.6683  0.134784  
1 1 1 9  7  10 o 17.4383  0.128881  304.23       4.49493  304.6        6.20986  303.823      6.51468  17.4454  0.17798   17.4223  0.186964  
1 1 1 9  7  11 o 9.99407  0.0856761 99.9017      1.71251  99.8484      2.38205  99.9587      2.46371  9.99045  0.119216  9.99583  0.123237  
1 1 1 9  7  12 o 8.16983  0.072176  66.7556      1.17933  67.8533      1.66103  65.6397      1.67471  8.23617  0.100837  8.10066  0.103369  
1 1 1 9  7  13 o 10.4169  0.0838228 108.53       1.74634  110.189      2.47003  106.873      2.46936  10.4952  0.117674  10.336   0.119454  
1 1 1 9  7  14 o 15.5071  0.117554  240.55       3.64583  240.34       5.15689  240.759      5.15507  15.4977  0.166376  15.5112  0.166172  
1 1 1 9  7  15 f 2.02137  0.11996   4.08723      0.484967 4.71112      0.693094 3.48877      0.678823 2.1699   0.159707  1.86714  0.181782  
1 1 1 9  7  16 o 22.7704  0.162019  518.729      7.37847  519.622      10.5744  517.882      10.3004  22.7843  0.232056  22.7466  0.226417  
1 1 1 9  7  17 o 14.8025  0.107178  219.152      3.17301  217.205      4.55695  220.984      4.42078  14.7352  0.154628  14.863   0.148717  
1 1 1 9  7  18 o 6.27337  0.0731462 39.3582      0.917746 38.813       1.29218  39.9132      1.30367  6.2295   0.103715  6.31718  0.103184  
1 1 1 9  7  19 o 22.9104  0.155304  525.079      7.11617  521.81       10.0035  528.428      10.1252  22.8346  0.219043  22.9789  0.220315  
1 1 1 9  7  20 o 9.25476  0.0815506 85.661       1.50946  85.4299      2.10467  85.9057      2.16606  9.24172  0.113868  9.26736  0.116865  
1 1 1 9  7  21 o 3.07541  0.127907  9.4614       0.786736 9.05409      1.09996  9.888        1.12572  3.00795  0.182842  3.14346  0.179057  
1 1 1 9  7  22 o 8.7356   0.0978311 76.3273      1.70923  75.1584      2.39158  77.5477      2.44369  8.66751  0.137962  8.80418  0.13878   
1 1 1 9  7  23 o 25.5579  0.179561  653.765      9.17838  649.317      12.7597  658.534      13.2125  25.4602  0.250581  25.6391  0.257663  
1 1 1 9  7  24 o 1.64758  0.362536  2.83369      1.16231  2.42432      1.66229  3.22529      1.62582  1.55553  0.483609  1.75758  0.45796   
1 1 1 9  7  25 o 2.15838  0.231853  4.66915      1.00085  5.91729      1.42181  3.4432       1.40912  2.42811  0.292782  1.81397  0.399198  
1 1 1 9  7  26 f 3.59078  0.165787  12.9126      1.19061  11.8894      1.70099  13.8954      1.66708  3.44253  0.247055  3.72271  0.223907  
1 1 1 9  7  27 o 5.32037  0.110602  28.329       1.17689  28.4837      1.66565  28.1749      1.66309  5.33269  0.156174  5.30367  0.156787  
1 1 1 9  7  28 o 2.08318  0.232067  4.35963      0.966875 4.40984      1.38513  4.31192      1.35027  2.09012  0.331352  2.06706  0.326616  
1 1 1 9  7  29 o 10.4962  0.0991938 110.289      2.08232  111.231      2.97346  109.383      2.91703  10.5351  0.141122  10.4474  0.139605  
1 1 1 9  7  30 o 9.77253  0.0976498 95.627       1.90857  97.6542      2.76036  93.7702      2.6418   9.8688   0.139853  9.67115  0.136581  
1 1 1 9  7  31 f 7.09179  0.0974497 50.3718      1.38218  49.2327      1.96432  51.4889      1.94523  7.00522  0.140204  7.16466  0.135752  
1 1 1 9  7  32 o 4.27045  0.121488  18.2905      1.03762  19.4225      1.49906  17.2493      1.43768  4.3944   0.170565  4.14083  0.173599  
1 1 1 9  7  33 o 3.06638  0.154077  9.45529      0.944915 10.2796      1.36223  8.69086      1.31182  3.18911  0.213576  2.93081  0.223798  
1 1 1 9  7  34 o 3.12316  0.165806  9.83192      1.03568  10.8282      1.4714   8.85367      1.45804  3.26685  0.225202  2.94968  0.247152  
1 1 1 9  7  35 o 2.54991  0.195927  6.58826      0.999193 7.31608      1.44326  5.9183       1.3847   2.67106  0.270166  2.39817  0.2887    
1 1 1 9  7  36 o 1.81967  0.300243  3.42466      1.09269  1.6803       1.49195  5.44293      1.60481  1.30145  0.45907   2.27975  0.351972  
1 1 1 9  7  37 o 1.0088   0.366888  0.930577     0.959413 0.395297     1.37065  1.44478      1.34339  0.993966 0.414551  1.21342  0.434846  
1 1 1 9  7  38 o 2.50305  0.224107  6.44388      1.1219   4.97093      1.63504  7.75437      1.54224  2.10743  0.402335  2.72308  0.283179  
1 1 1 9  7  39 o 0.846114 0.356434  0.228159     1.02974  2.08981      1.47375  -1.54774     1.4394   1.36437  0.45767   0.741572 0.353536  
1 1 1 9  7  40 o 1.38935  0.367666  2.20301      1.0377   2.37408      1.50061  2.04623      1.43656  1.42159  0.461823  1.3374   0.451859  
1 1 1 9  7  41 o 1.56532  0.348534  2.79687      1.06273  2.56276      1.50774  3.02801      1.49815  1.45161  0.46208   1.57454  0.451951  
1 1 1 9  7  42 o 0.86348  0.361578  0.421171     1.0492   -0.960931    1.46756  1.86618      1.50058  0.782482 0.36721   1.24602  0.458283  
1 1 1 9  7  43 o 1.01664  0.371946  1.15582      0.987318 2.04275      1.39346  0.261666     1.39912  1.25891  0.443699  0.906263 0.398927  
1 1 1 9  7  44 o 0.757826 0.344205  -0.113217    1.13437  0.492863     1.59082  -0.740193    1.61801  0.938891 0.417971  0.803403 0.379314  
1 1 1 9  7  45 f 1.18489  0.391732  2.00684      1.07968  1.92546      1.52304  2.08906      1.53079  1.11922  0.448374  1.15056  0.453288  
1 1 1 9  7  46 o 0.71154  0.34338   -0.780817    1.46576  -1.15066     1.98336  -0.335738    2.17576  0.773729 0.379048  0.848775 0.411254  
1 1 1 9  7  47 o 0.810026 0.374154  0.870454     1.42464  0.988531     2.06279  0.762771     1.96991  0.839511 0.405606  0.820713 0.396497  
1 1 1 9  8  0  o 12.6145  0.119783  159.193      3.0214   159.193      3.0214   159.193      3.0214   12.6158  0.0846822 ?        ?         
1 1 1 9  8  1  o 9.67299  0.0746828 93.5778      1.44481  95.9048      2.08925  91.4448      2.0002   9.79191  0.106682  9.56157  0.104596  
1 1 1 9  8  2  o 30.3387  0.219889  921.386      13.3423  918.666      18.8193  924.135      18.9188  30.278   0.310776  30.3678  0.311494  
1 1 1 9  8  3  o 6.99301  0.0572009 48.9057      0.800014 48.5825      1.14074  49.2185      1.12227  6.9696   0.0818366 7.01509  0.0799896 
1 1 1 9  8  4  o 20.5759  0.142924  423.561      5.88158  425.864      8.35984  421.303      8.2764   20.6269  0.202644  20.5162  0.201704  
1 1 1 9  8  5  o 17.5676  0.11864   308.722      4.16844  308.309      5.95466  309.119      5.83721  17.5529  0.169621  17.5762  0.166055  
1 1 1 9  8  6  o 15.0771  0.101624  227.376      3.06441  228.781      4.35715  226          4.31068  15.1218  0.144069  15.0296  0.143407  
1 1 1 9  8  7  o 26.2563  0.176143  689.919      9.24973  687.304      13.1731  692.463      12.9909  26.196   0.251435  26.2948  0.247025  
1 1 1 9  8  8  o 7.46965  0.0645413 55.8017      0.964202 56.6476      1.35986  54.9464      1.36735  7.52567  0.0903478 7.41177  0.0922417 
1 1 1 9  8  9  o 5.26284  0.0519777 27.6995      0.547101 27.536       0.761743 27.8737      0.786276 5.24711  0.0725869 5.27917  0.0744697 
1 1 1 9  8  10 o 18.7006  0.143189  349.908      5.35546  345.736      7.39171  354.517      7.76998  18.584   0.198873  18.8177  0.206454  
1 1 1 9  8  11 o 12.1569  0.101761  147.834      2.4742   147.507      3.48961  148.165      3.50855  12.1417  0.143703  12.1687  0.144162  
1 1 1 9  8  12 o 5.0787   0.0618452 25.7958      0.628186 27.0166      0.897316 24.6224      0.879724 5.19723  0.0863264 4.96158  0.0886537 
1 1 1 9  8  13 o 6.0545   0.0662077 36.661       0.801709 36.2139      1.14439  37.0919      1.12348  6.01711  0.0950942 6.08966  0.0922449 
1 1 1 9  8  14 o 8.63154  0.0770326 74.5139      1.32982  75.3939      1.89633  73.6625      1.86535  8.68172  0.109214  8.58147  0.108685  
1 1 1 9  8  15 o 10.0059  0.0789046 100.132      1.57903  98.4116      2.20924  101.928      2.25772  9.91898  0.111364  10.0946  0.111828  
1 1 1 9  8  16 o 19.0238  0.13707   362.021      5.21518  362.596      7.47727  361.476      7.27755  19.0357  0.196401  19.0066  0.191448  
1 1 1 9  8  17 f 17.8192  0.124282  317.597      4.42921  320.284      6.37909  315.095      6.15465  17.8923  0.178264  17.7469  0.1734    
1 1 1 9  8  18 o 16.2575  0.115314  264.359      3.74943  263.635      5.35193  265.056      5.2544   16.2335  0.164842  16.2773  0.161402  
1 1 1 9  8  19 o 27.6615  0.187666  765.585      10.3823  768.625      14.9001  762.715      14.4746  27.7079  0.268878  27.602   0.262203  
1 1 1 9  8  20 o 12.6491  0.0974703 160.03       2.46583  160.787      3.49169  159.276      3.48275  12.6779  0.137708  12.6182  0.138005  
1 1 1 9  8  21 o 7.11597  0.080996  50.6441      1.15273  50.1559      1.61777  51.1476      1.64294  7.0811   0.114231  7.15075  0.114879  
1 1 1 9  8  22 o 16.7296  0.138259  280.003      4.62601  277.643      6.49832  282.428      6.58692  16.6552  0.195084  16.798   0.196062  
1 1 1 9  8  23 o 7.12816  0.0912487 50.8222      1.30087  50.5696      1.81516  51.0888      1.86527  7.10964  0.127655  7.14597  0.130512  
1 1 1 9  8  24 o 8.14948  0.116396  66.4434      1.89714  63.941       2.7256   68.7951      2.64226  7.99252  0.17051   8.29085  0.159348  
1 1 1 9  8  25 o 7.18117  0.0974075 51.5907      1.399    49.6754      1.93549  53.6862      2.02448  7.04511  0.137364  7.32396  0.138209  
1 1 1 9  8  26 o 4.31211  0.14151   18.6148      1.22041  17.2628      1.71802  19.992       1.73395  4.14999  0.20699   4.46664  0.1941    
1 1 1 9  8  27 o 4.37236  0.121544  19.1367      1.06287  18.8594      1.48482  19.428       1.52213  4.33839  0.171125  4.40321  0.172843  
1 1 1 9  8  28 o 5.15297  0.110665  26.5822      1.14051  26.1823      1.60743  26.9876      1.61848  5.11121  0.157246  5.18932  0.155943  
1 1 1 9  8  29 o 7.10487  0.0967174 50.5322      1.37433  49.2547      1.92927  51.8483      1.95825  7.0107   0.137594  7.19308  0.13612   
1 1 1 9  8  30 o 2.28181  0.207405  5.23791      0.946517 4.9582       1.33833  5.51783      1.33882  2.21259  0.302436  2.33562  0.286609  
1 1 1 9  8  31 f 0.981658 0.355164  0.822612     0.898052 0.0201273    1.25516  1.6643       1.28545  0.912567 0.389328  1.29527  0.427434  
1 1 1 9  8  32 o 5.12892  0.109568  26.3698      1.12393  25.7103      1.58239  27.0413      1.59666  5.05806  0.156423  5.18775  0.153887  
1 1 1 9  8  33 o 2.43155  0.195312  5.96689      0.94982  6.15737      1.35088  5.78065      1.33575  2.45912  0.274667  2.38181  0.280407  
1 1 1 9  8  34 o 3.03083  0.169132  9.26341      1.02522  9.6953       1.4572   8.84008      1.44267  3.08866  0.235895  2.94748  0.24473   
1 1 1 9  8  35 o 4.20431  0.135083  17.7904      1.13586  17.9735      1.61237  17.6099      1.6004   4.21213  0.191396  4.16914  0.191934  
1 1 1 9  8  36 o 4.1711   0.147909  17.5459      1.23388  14.9572      1.75402  20.082       1.73607  3.82859  0.229068  4.44847  0.195131  
1 1 1 9  8  37 o 3.59111  0.147839  13.0355      1.06181  12.4923      1.50063  13.5802      1.50264  3.49514  0.214673  3.64736  0.20599   
1 1 1 9  8  38 o 1.24539  0.395185  1.69637      1.10343  0.334447     1.56961  3.02709      1.55153  1.02667  0.43661   1.61707  0.458583  
1 1 1 9  8  39 o 1.82632  0.287356  3.51538      1.04961  2.83197      1.47322  4.21987      1.49579  1.55696  0.44859   1.92651  0.401418  
1 1 1 9  8  40 f 2.1174   0.258132  4.71015      1.09314  4.56772      1.54623  4.85247      1.54563  1.99241  0.40212   2.06344  0.388771  
1 1 1 9  8  41 o 1.80877  0.291824  3.51745      1.05569  2.77924      1.50289  4.23648      1.48324  1.50749  0.458074  1.90006  0.402599  
1 1 1 9  8  42 o 1.13721  0.383388  1.51369      1.03418  2.58051      1.46319  0.448755     1.4619   1.41759  0.455602  0.964859 0.416119  
1 1 1 9  8  43 o 0.884618 0.359004  0.645974     0.994358 -0.311765    1.40537  1.60607      1.4071   0.825878 0.377429  1.15383  0.439386  
1 1 1 9  8  44 o 1.3855   0.389615  2.5537       1.12455  2.07888      1.58321  3.03719      1.59758  1.20336  0.463931  1.41572  0.476511  
1 1 1 9  8  45 o 0.711843 0.328996  -0.208247    1.10359  0.261152     1.57007  -0.666615    1.55152  0.863367 0.396383  0.763976 0.364888  
1 1 1 9  8  46 o 0.641232 0.315086  -1.44865     1.38861  -1.96777     1.88221  -0.828632    2.05701  0.70717  0.350894  0.800056 0.390587  
1 1 1 9  8  47 o 0.745976 0.353576  0.266164     1.41923  0.172542     2.05554  0.351451     1.96191  0.789506 0.386568  0.795454 0.387011  
1 1 1 9  9  0  o 23.4489  0.311002  550.715      14.5795  550.715      14.5795  550.715      14.5795  23.458   0.219782  ?        ?         
1 1 1 9  9  1  o 17.9704  0.177179  323.139      6.36654  323.139      6.36654  323.139      6.36654  17.9732  0.125251  ?        ?         
1 1 1 9  9  2  f 27.6061  0.283563  763.011      15.6524  763.011      15.6524  763.011      15.6524  27.6143  0.200426  ?        ?         
1 1 1 9  9  3  f 0.802419 0.237418  0.792048     0.330898 0.792048     0.330898 0.792048     0.330898 0.852316 0.151597  ?        ?         
1 1 1 9  9  4  o 26.1852  0.256701  686.38       13.4406  686.38       13.4406  686.38       13.4406  26.192   0.181448  ?        ?         
1 1 1 9  9  5  o 21.1101  0.19884   445.961      8.39336  445.961      8.39336  445.961      8.39336  21.1139  0.140561  ?        ?         
1 1 1 9  9  6  o 2.96982  0.0702612 8.83516      0.416798 8.83516      0.416798 8.83516      0.416798 2.97111  0.049629  ?        ?         
1 1 1 9  9  7  o 0.533163 0.270319  0.420072     0.355805 0.420072     0.355805 0.420072     0.355805 0.544342 0.23004   ?        ?         
1 1 1 9  9  8  o 0.894968 0.261362  0.98128      0.40577  0.98128      0.40577  0.98128      0.40577  0.949767 0.166306  ?        ?         
1 1 1 9  9  9  o 0.706105 0.311895  0.718781     0.459729 0.718781     0.459729 0.718781     0.459729 0.751071 0.245223  ?        ?         
1 1 1 9  9  10 o 18.4518  0.202807  340.783      7.48227  340.783      7.48227  340.783      7.48227  18.456   0.143354  ?        ?         
1 1 1 9  9  11 o 0.305253 0.218168  -0.682165    0.545526 -0.682165    0.545526 -0.682165    0.545526 0.231115 0.167822  ?        ?         
1 1 1 9  9  12 o 1.71346  0.176012  3.02897      0.588595 3.02897      0.588595 3.02897      0.588595 1.72745  0.12186   ?        ?         
1 1 1 9  9  13 o 9.71245  0.109179  94.3813      2.12019  94.3813      2.12019  94.3813      2.12019  9.71373  0.0771801 ?        ?         
1 1 1 9  9  14 o 1.38487  0.28825   2.15051      0.703718 2.15051      0.703718 2.15051      0.703718 1.43325  0.17998   ?        ?         
1 1 1 9  9  15 o 0.391435 0.270803  -0.446212    0.676231 -0.446212    0.676231 -0.446212    0.676231 0.307415 0.215942  ?        ?         
1 1 1 9  9  16 o 4.34341  0.116496  18.9079      1.01033  18.9079      1.01033  18.9079      1.01033  4.34587  0.0822607 ?        ?         
1 1 1 9  9  17 o 31.7342  0.30591   1008.03      19.4116  1008.03      19.4116  1008.03      19.4116  31.7418  0.216237  ?        ?         
1 1 1 9  9  18 o 42.0324  0.403575  1769.35      33.9193  1769.35      33.9193  1769.35      33.9193  42.0477  0.285237  ?        ?         
1 1 1 9  9  19 f 7.24106  0.115767  52.4789      1.67559  52.4789      1.67559  52.4789      1.67559  7.24265  0.0818183 ?        ?         
1 1 1 9  9  20 o 11.2488  0.12879   126.606      2.8966   126.606      2.8966   126.606      2.8966   11.2504  0.0910418 ?        ?         
1 1 1 9  9  21 o 3.97034  0.150529  15.8353      1.1914   15.8353      1.1914   15.8353      1.1914   3.97487  0.106143  ?        ?         
1 1 1 9  9  22 o 2.4337   0.303276  6.20037      1.42452  6.20037      1.42452  6.20037      1.42452  2.46347  0.20785   ?        ?         
1 1 1 9  9  23 o 5.99385  0.134995  35.99        1.61643  35.99        1.61643  35.99        1.61643  5.99651  0.0953589 ?        ?         
1 1 1 9  9  24 o 2.47941  0.365973  6.54758      1.69701  6.54758      1.69701  6.54758      1.69701  2.5231   0.24297   ?        ?         
1 1 1 9  9  25 o 0.649408 0.427309  -0.140466    1.3542   -0.140466    1.3542   -0.140466    1.3542   0.539304 0.356531  ?        ?         
1 1 1 9  9  26 o 5.11145  0.17736   26.2443      1.80818  26.2443      1.80818  26.2443      1.80818  5.11721  0.125098  ?        ?         
1 1 1 9  9  27 o 4.54112  0.173152  20.7331      1.56742  20.7331      1.56742  20.7331      1.56742  4.54725  0.122067  ?        ?         
1 1 1 9  9  28 o 4.20021  0.178159  17.7629      1.49049  17.7629      1.49049  17.7629      1.49049  4.20745  0.125499  ?        ?         
1 1 1 9  9  29 o 3.03311  0.23244   9.38861      1.39099  9.38861      1.39099  9.38861      1.39099  3.0489   0.162352  ?        ?         
1 1 1 9  9  30 o 3.09433  0.217898  9.7482       1.33314  9.7482       1.33314  9.7482       1.33314  3.10849  0.152465  ?        ?         
1 1 1 9  9  31 o 1.75459  0.408337  3.56818      1.24462  3.56818      1.24462  3.56818      1.24462  1.83501  0.25012   ?        ?         
1 1 1 9  9  32 o 6.02149  0.143744  36.3972      1.72888  36.3972      1.72888  36.3972      1.72888  6.02728  0.101479  ?        ?         
1 1 1 9  9  33 o 0.713408 0.447137  0.375252     1.28711  0.375252     1.28711  0.375252     1.28711  0.628062 0.38531   ?        ?         
1 1 1 9  9  34 o 4.23519  0.179976  18.1203      1.51821  18.1203      1.51821  18.1203      1.51821  4.24607  0.12667   ?        ?         
1 1 1 9  9  35 o 1.20621  0.554547  2.22018      1.4559   2.22018      1.4559   2.22018      1.4559   1.29289  0.443708  ?        ?         
1 1 1 9  9  36 o 3.21366  0.251535  10.6417      1.59392  10.6417      1.59392  10.6417      1.59392  3.23839  0.175189  ?        ?         
1 1 1 9  9  37 o 0.855447 0.494648  1.04172      1.34652  1.04172      1.34652  1.04172      1.34652  0.823473 0.43593   ?        ?         
1 1 1 9  9  38 o 0.713911 0.46885   0.0355537    1.62028  0.0355537    1.62028  0.0355537    1.62028  0.608646 0.39749   ?        ?         
1 1 1 9  9  39 o 0.795137 0.487285  0.742303     1.45253  0.742303     1.45253  0.742303     1.45253  0.73274  0.428282  ?        ?         
1 1 1 9  9  40 o 0.392935 0.290931  -3.51151     1.45689  -3.51151     1.45689  -3.51151     1.45689  0.29     0.216993  ?        ?         
1 1 1 9  9  41 o 0.460618 0.333477  -2.09655     1.44487  -2.09655     1.44487  -2.09655     1.44487  0.349779 0.257108  ?        ?         
1 1 1 9  9  42 o 0.74249  0.468291  0.603633     1.43926  0.603633     1.43926  0.603633     1.43926  0.678302 0.411919  ?        ?         
1 1 1 9  9  43 o 0.934492 0.518614  1.56838      1.40664  1.56838      1.40664  1.56838      1.40664  0.972493 0.457722  ?        ?         
1 1 1 9  9  44 o 0.788986 0.49295   0.986192     1.54909  0.986192     1.54909  0.986192     1.54909  0.75933  0.44297   ?        ?         
1 1 1 9  9  45 o 0.605058 0.412887  -0.0641947   1.47223  -0.0641947   1.47223  -0.0641947   1.47223  0.525443 0.354447  ?        ?         
1 1 1 9  9  46 o 0.452188 0.33656   -4.64623     2.17537  -4.64623     2.17537  -4.64623     2.17537  0.349781 0.261715  ?        ?         
1 1 1 9  9  47 o 0.793231 0.521747  1.80286      2.01634  1.80286      2.01634  1.80286      2.01634  0.838204 0.497961  ?        ?         
1 1 1 10 0  0  o 17.9059  0.261034  321.001      9.3436   321.001      9.3436   321.001      9.3436   17.9111  0.18448   ?        ?         
1 1 1 10 0  1  o 8.8478   0.086897  78.311       1.53736  78.311       1.53736  78.311       1.53736  8.84857  0.0614334 ?        ?         
1 1 1 10 0  2  o 1.82897  0.0643198 3.35766      0.234619 3.35766      0.234619 3.35766      0.234619 1.83069  0.0453739 ?        ?         
1 1 1 10 0  3  o 45.5812  0.426581  2081.52      38.8804  2081.52      38.8804  2081.52      38.8804  45.602   0.30147   ?        ?         
1 1 1 10 0  4  o 13.2567  0.125933  175.814      3.33823  175.814      3.33823  175.814      3.33823  13.2581  0.0890296 ?        ?         
1 1 1 10 0  5  o 41.4926  0.395994  1724.77      32.8549  1724.77      32.8549  1724.77      32.8549  41.5112  0.279856  ?        ?         
1 1 1 10 0  6  o 16.1704  0.156463  261.623      5.05908  261.623      5.05908  261.623      5.05908  16.1726  0.11061   ?        ?         
1 1 1 10 0  7  o 12.5786  0.121128  158.29       3.04659  158.29       3.04659  158.29       3.04659  12.5799  0.0856319 ?        ?         
1 1 1 10 0  8  o 2.01758  0.0993723 4.10062      0.398764 4.10062      0.398764 4.10062      0.398764 2.02132  0.0699385 ?        ?         
1 1 1 10 0  9  o 31.8309  0.298161  1014.57      18.9778  1014.57      18.9778  1014.57      18.9778  31.8416  0.210741  ?        ?         
1 1 1 10 0  10 o 7.10107  0.0925875 50.4565      1.31444  50.4565      1.31444  50.4565      1.31444  7.10217  0.0654466 ?        ?         
1 1 1 10 0  11 o 20.765   0.205499  431.552      8.53248  431.552      8.53248  431.552      8.53248  20.7694  0.145263  ?        ?         
1 1 1 10 0  12 o 4.04969  0.0988334 16.4315      0.799412 16.4315      0.799412 16.4315      0.799412 4.05163  0.0698049 ?        ?         
1 1 1 10 0  13 o 4.72165  0.106561  22.3315      1.00513  22.3315      1.00513  22.3315      1.00513  4.72364  0.0752746 ?        ?         
1 1 1 10 0  14 o 24.3154  0.235257  591.819      11.4383  591.819      11.4383  591.819      11.4383  24.3213  0.166294  ?        ?         
1 1 1 10 0  15 o 11.2384  0.132318  126.38       2.97315  126.38       2.97315  126.38       2.97315  11.2401  0.0935338 ?        ?         
1 1 1 10 0  16 f 11.0082  0.116906  121.239      2.57319  121.239      2.57319  121.239      2.57319  11.0095  0.0826445 ?        ?         
1 1 1 10 0  17 o 7.00579  0.0974417 49.1135      1.36472  49.1135      1.36472  49.1135      1.36472  7.00695  0.0688752 ?        ?         
1 1 1 10 0  18 o 1.76026  0.23746   3.26559      0.802142 3.26559      0.802142 3.26559      0.802142 1.78522  0.161923  ?        ?         
1 1 1 10 0  19 o 6.69476  0.108595  44.859       1.45317  44.859       1.45317  44.859       1.45317  6.69622  0.0767485 ?        ?         
1 1 1 10 0  20 o 10.7463  0.125081  115.544      2.68749  115.544      2.68749  115.544      2.68749  10.7477  0.0884201 ?        ?         
1 1 1 10 0  21 f 33.432   0.322928  1119.15      21.5877  1119.15      21.5877  1119.15      21.5877  33.4428  0.228247  ?        ?         
1 1 1 10 0  22 o 1.42583  0.462507  2.58646      1.1623   2.58646      1.1623   2.58646      1.1623   1.52507  0.303668  ?        ?         
1 1 1 10 0  23 o 11.4949  0.154943  132.242      3.56064  132.242      3.56064  132.242      3.56064  11.4973  0.109516  ?        ?         
1 1 1 10 0  24 o 9.24139  0.135051  85.4801      2.49492  85.4801      2.49492  85.4801      2.49492  9.24346  0.0954513 ?        ?         
1 1 1 10 0  25 o 5.62562  0.185292  31.7695      2.07964  31.7695      2.07964  31.7695      2.07964  5.63105  0.130732  ?        ?         
1 1 1 10 0  26 o 4.02532  0.194211  16.3303      1.55522  16.3303      1.55522  16.3303      1.55522  4.03326  0.136686  ?        ?         
1 1 1 10 0  27 o 2.61701  0.304838  7.14103      1.54637  7.14103      1.54637  7.14103      1.54637  2.64599  0.209652  ?        ?         
1 1 1 10 0  28 o 3.95088  0.189207  15.737       1.48725  15.737       1.48725  15.737       1.48725  3.95898  0.133159  ?        ?         
1 1 1 10 0  29 o 3.31413  0.209649  11.139       1.37686  11.139       1.37686  11.139       1.37686  3.326    0.147013  ?        ?         
1 1 1 10 0  30 o 2.053    0.354709  4.60093      1.326    4.60093      1.326    4.60093      1.326    2.10531  0.228857  ?        ?         
1 1 1 10 0  31 o 3.87188  0.183355  15.1292      1.4126   15.1292      1.4126   15.1292      1.4126   3.8808   0.129016  ?        ?         
1 1 1 10 0  32 o 0.614296 0.406154  -0.154854    1.24314  -0.154854    1.24314  -0.154854    1.24314  0.509664 0.338694  ?        ?         
1 1 1 10 0  33 o 2.42168  0.273364  6.13015      1.28558  6.13015      1.28558  6.13015      1.28558  2.45002  0.188065  ?        ?         
1 1 1 10 0  34 o 4.28279  0.185946  18.531       1.58591  18.531       1.58591  18.531       1.58591  4.29388  0.130857  ?        ?         
1 1 1 10 0  35 o 1.13385  0.547874  1.97927      1.43435  1.97927      1.43435  1.97927      1.43435  1.19618  0.453548  ?        ?         
1 1 1 10 0  36 o 1.29292  0.54816   2.46274      1.42762  2.46274      1.42762  2.46274      1.42762  1.40208  0.41455   ?        ?         
1 1 1 10 0  37 o 0.640088 0.436561  -0.669368    1.64298  -0.669368    1.64298  -0.669368    1.64298  0.51672  0.356635  ?        ?         
1 1 1 10 0  38 f 0.741063 0.463954  0.482672     1.38097  0.482672     1.38097  0.482672     1.38097  0.661805 0.402654  ?        ?         
1 1 1 10 0  39 o 4.63913  0.186853  21.8526      1.72728  21.8526      1.72728  21.8526      1.72728  4.65692  0.131372  ?        ?         
1 1 1 10 0  40 o 0.842702 0.500709  0.995869     1.44192  0.995869     1.44192  0.995869     1.44192  0.80233  0.443054  ?        ?         
1 1 1 10 0  41 o 1.73771  0.496006  3.90121      1.49232  3.90121      1.49232  3.90121      1.49232  1.87512  0.305955  ?        ?         
1 1 1 10 0  42 o 0.653598 0.436466  -0.0950906   1.50144  -0.0950906   1.50144  -0.0950906   1.50144  0.55486  0.369649  ?        ?         
1 1 1 10 0  43 o 0.741677 0.46882   0.610046     1.45038  0.610046     1.45038  0.610046     1.45038  0.678265 0.412659  ?        ?         
1 1 1 10 0  44 o 1.17988  0.567253  2.53971      1.53572  2.53971      1.53572  2.53971      1.53572  1.32924  0.455485  ?        ?         
1 1 1 10 0  45 o 1.15009  0.580368  2.63612      1.63557  2.63612      1.63557  2.63612      1.63557  1.312    0.479589  ?        ?         
1 1 1 10 0  46 o 0.559531 0.397589  -0.926555    1.73885  -0.926555    1.73885  -0.926555    1.73885  0.466217 0.331948  ?        ?         
1 1 1 10 0  47 o 0.709929 0.507707  0.42969      2.96697  0.42969      2.96697  0.42969      2.96697  0.668273 0.464767  ?        ?         
1 1 1 10 0  48 o 0.865616 0.607149  5.06812      3.75244  5.06812      3.75244  5.06812      3.75244  1.03919  0.647665  ?        ?         
1 1 1 10 1  0  o 11.199   0.110717  125.468      2.47931  125.468      2.47931  125.468      2.47931  11.2001  0.0782726 ?        ?         
1 1 1 10 1  1  o 9.60769  0.0656281 92.3144      1.26107  91.2745      1.74609  93.4483      1.82325  9.55308  0.0913889 9.66612  0.0943113 
1 1 1 10 1  2  o 6.54266  0.0474771 42.8081      0.621254 42.9645      0.88168  42.6539      0.875523 6.55447  0.0672579 6.53073  0.067031  
1 1 1 10 1  3  o 9.77001  0.0680909 95.4612      1.3305   94.3177      1.82359  96.7627      1.94554  9.71094  0.0938937 9.83591  0.0988998 
1 1 1 10 1  4  f 8.80165  0.0629992 77.4749      1.10899  78.524       1.53755  76.3373      1.60108  8.86073  0.0867621 8.73641  0.0916328 
1 1 1 10 1  5  o 14.8187  0.10043   219.639      2.97649  221.638      4.28951  217.783      4.13359  14.8843  0.144095  14.7545  0.140079  
1 1 1 10 1  6  o 8.92663  0.065168  79.6918      1.16346  80.9866      1.68651  78.5161      1.60712  8.99841  0.0937119 8.86014  0.0906937 
1 1 1 10 1  7  o 20.7006  0.140815  428.703      5.82991  427.41       8.40192  429.903      8.09607  20.6643  0.203296  20.7252  0.19532   
1 1 1 10 1  8  o 35.6552  0.238279  1272.99      16.9918  1272.53      24.2762  1273.43      23.7912  35.6236  0.340731  35.6381  0.333788  
1 1 1 10 1  9  o 11.707   0.08119   137.076      1.90099  135.979      2.66981  138.205      2.70739  11.6591  0.114495  11.7541  0.115167  
1 1 1 10 1  10 o 8.79228  0.0770283 77.3159      1.35451  77.3063      1.91558  77.3257      1.91555  8.79105  0.10895   8.79216  0.108935  
1 1 1 10 1  11 o 16.3681  0.113283  268.007      3.70846  267.542      5.23422  268.475      5.25496  16.3511  0.160057  16.3796  0.160412  
1 1 1 10 1  12 o 19.3374  0.159369  374.196      6.16355  376.811      8.77606  371.65       8.65829  19.3979  0.226211  19.2648  0.224718  
1 1 1 10 1  13 o 13.843   0.109963  191.692      3.04445  191.069      4.13432  192.43       4.49987  13.8186  0.149593  13.8669  0.162252  
1 1 1 10 1  14 o 12.0199  0.0904793 144.509      2.17511  146.678      3.18566  142.614      2.97707  12.1084  0.131548  11.9398  0.12467   
1 1 1 10 1  15 o 4.12658  0.0803995 17.0313      0.663549 16.8399      0.989882 17.1874      0.894197 4.10293  0.120631  4.14518  0.10786   
1 1 1 10 1  16 o 17.5878  0.122127  309.426      4.29588  313.759      6.08395  305.118      6.06667  17.7077  0.171788  17.462   0.17371   
1 1 1 10 1  17 f 8.12044  0.0724019 65.9473      1.17587  66.1383      1.65124  65.7507      1.67488  8.13183  0.101529  8.10794  0.103286  
1 1 1 10 1  18 o 4.31359  0.0803535 18.6088      0.693224 18.956       0.988361 18.2726      0.972563 4.35343  0.113515  4.27423  0.11377   
1 1 1 10 1  19 o 5.73882  0.0754909 32.9369      0.866458 31.4147      1.22119  34.4799      1.22957  5.60438  0.108949  5.87147  0.104707  
1 1 1 10 1  20 o 4.63777  0.0873423 21.5116      0.810147 21.7241      1.14072  21.2953      1.15079  4.66034  0.122386  4.61408  0.124704  
1 1 1 10 1  21 o 13.8419  0.104907  191.639      2.90422  192.899      4.03734  190.288      4.18079  13.8859  0.145376  13.7913  0.151573  
1 1 1 10 1  22 o 9.42161  0.0899846 88.7822      1.6956   90.1143      2.36313  87.3685      2.43434  9.49127  0.12449   9.3454   0.130243  
1 1 1 10 1  23 o 4.78733  0.120476  22.9266      1.15352  23.9792      1.60441  21.8004      1.65963  4.89525  0.163875  4.66728  0.177794  
1 1 1 10 1  24 o 14.2119  0.114972  202.054      3.26795  204.99       4.84658  199.606      4.42525  14.3115  0.169324  14.1232  0.156666  
1 1 1 10 1  25 o 5.16281  0.129543  26.6707      1.33761  27.5142      1.83449  25.7131      1.95455  5.24251  0.174963  5.06741  0.192854  
1 1 1 10 1  26 o 5.73031  0.109937  32.8554      1.25994  34.377       1.78564  31.3467      1.77804  5.85993  0.15236   5.59543  0.158883  
1 1 1 10 1  27 o 15.4127  0.125249  237.773      3.86085  238.413      5.46408  237.134      5.45607  15.4262  0.177103  15.3848  0.17732   
1 1 1 10 1  28 o 3.27209  0.154129  10.7256      1.00865  10.7088      1.44041  10.7417      1.41288  3.26642  0.220487  3.27169  0.215925  
1 1 1 10 1  29 o 3.47872  0.141782  12.1266      0.986442 12.4549      1.39503  11.7983      1.39505  3.52209  0.19804   3.42761  0.203501  
1 1 1 10 1  30 o 4.83949  0.112127  23.4571      1.08528  24.8729      1.54216  22.068       1.52758  4.97988  0.154839  4.68995  0.162856  
1 1 1 10 1  31 o 4.11766  0.123738  16.9941      1.01902  17.837       1.44867  16.1686      1.43368  4.21394  0.171891  4.01129  0.178706  
1 1 1 10 1  32 o 4.2784   0.120524  18.3542      1.0313   16.0025      1.44231  20.8144      1.47521  3.98817  0.180824  4.55115  0.16207   
1 1 1 10 1  33 o 1.79744  0.248021  3.27403      0.891605 4.02832      1.26951  2.53982      1.2525   1.98525  0.319736  1.53865  0.402441  
1 1 1 10 1  34 o 4.38931  0.129064  19.3541      1.133    19.7544      1.61765  18.9686      1.58739  4.42454  0.182805  4.33558  0.183065  
1 1 1 10 1  35 o 0.954015 0.366678  0.670729     0.987406 -1.17646     1.38643  2.57204      1.4066   0.778868 0.363325  1.53447  0.437115  
1 1 1 10 1  36 o 1.85353  0.274333  3.52797      1.01697  4.78656      1.45113  2.31321      1.42563  2.14393  0.338427  1.45911  0.446702  
1 1 1 10 1  37 o 2.2106   0.276647  5.03846      1.22311  5.81175      1.70713  4.22281      1.75327  2.34789  0.363546  1.93773  0.4589    
1 1 1 10 1  38 o 1.58238  0.329154  2.73178      1.00718  4.26352      1.41693  1.16746      1.43192  1.96751  0.373594  1.15759  0.442537  
1 1 1 10 1  39 o 0.90857  0.369376  0.47543      1.05456  0.315984     1.44052  0.659566     1.54803  0.986042 0.418768  1.07293  0.443579  
1 1 1 10 1  40 o 2.08688  0.25845   4.57171      1.07871  3.82004      1.51651  5.34153      1.53471  1.80588  0.426229  2.21466  0.346488  
1 1 1 10 1  41 o 2.39386  0.223442  5.97075      1.06977  5.42781      1.51046  6.5172       1.51533  2.22487  0.339449  2.4569   0.308383  
1 1 1 10 1  42 o 1.48273  0.362886  2.59002      1.06885  3.32097      1.51762  1.87058      1.50562  1.6233   0.451364  1.25943  0.459455  
1 1 1 10 1  43 o 0.621911 0.294894  -0.916673    0.988143 -1.17626     1.39147  -0.652581    1.40349  0.731102 0.348215  0.790928 0.367635  
1 1 1 10 1  44 o 0.869809 0.36389   0.583097     1.06114  -1.26852     1.50589  2.40932      1.49553  0.735819 0.353359  1.3022   0.459592  
1 1 1 10 1  45 o 1.03406  0.395082  1.39267      1.14074  2.44921      1.60806  0.322366     1.6185   1.24783  0.471311  0.900654 0.409627  
1 1 1 10 1  46 o 1.39633  0.422235  3.08681      1.279    0.959289     1.79326  5.28958      1.8247   0.937633 0.427709  1.71972  0.500464  
1 1 1 10 1  47 o 0.800586 0.389504  0.229325     1.98719  -1.88761     2.65301  2.93515      2.9994   0.751452 0.378984  0.9673   0.472128  
1 1 1 10 1  48 o 0.771675 0.384156  0.774284     2.35026  6.1218       3.62834  -3.09136     3.08492  0.923005 0.461503  ?        ?         
1 1 1 10 2  0  o 13.4143  0.126629  180.016      3.39659  180.016      3.39659  180.016      3.39659  13.4156  0.0895221 ?        ?         
1 1 1 10 2  1  o 13.471   0.0920029 181.494      2.47873  181.321      3.50369  181.666      3.50723  13.4635  0.130118  13.4763  0.130126  
1 1 1 10 2  2  o 23.0288  0.162854  530.577      7.50067  529.073      10.1118  532.417      11.1842  22.9914  0.219903  23.0617  0.242485  
1 1 1 10 2  3  o 29.4513  0.197144  868.011      11.6123  868.798      16.2815  867.197      16.5668  29.454   0.276389  29.426   0.281499  
1 1 1 10 2  4  o 18.6242  0.123853  346.966      4.61333  347.149      6.52647  346.782      6.52199  18.6262  0.175196  18.6164  0.175168  
1 1 1 10 2  5  o 27.6971  0.187242  767.68       10.3721  763.117      14.2731  772.785      15.0985  27.6053  0.258521  27.7776  0.271774  
1 1 1 10 2  6  o 4.18079  0.0422861 17.4797      0.353578 17.5677      0.500046 17.3917      0.500025 4.19122  0.059654  4.17017  0.0599525 
1 1 1 10 2  7  o 34.2443  0.226439  1174.03      15.5085  1169.93      21.8571  1178.19      22.0082  34.1642  0.319882  34.2843  0.320967  
1 1 1 10 2  8  o 18.2696  0.122459  333.898      4.47455  334.555      6.337    333.244      6.31899  18.2843  0.173291  18.2484  0.173138  
1 1 1 10 2  9  o 38.9497  0.263209  1519.68      20.5038  1526.8       29.7754  1513.27      28.2762  39.0034  0.381703  38.8365  0.364041  
1 1 1 10 2  10 o 13.7139  0.113056  188.133      3.10088  186.509      4.41852  189.709      4.35282  13.6522  0.161824  13.769   0.158065  
1 1 1 10 2  11 o 11.6343  0.0847391 135.382      1.97175  136.125      2.76959  134.619      2.80776  11.665   0.118713  11.6003  0.121021  
1 1 1 10 2  12 o 14.1001  0.120993  198.893      3.41202  197.197      4.71394  200.761      4.94499  14.0372  0.167909  14.163   0.174574  
1 1 1 10 2  13 o 2.27107  0.104663  5.15927      0.475393 5.01137      0.676061 5.30393      0.668616 2.23792  0.151047  2.30237  0.145202  
1 1 1 10 2  14 o 5.5396   0.0685961 30.6908      0.75999  31.3318      1.09841  30.102       1.05263  5.5968   0.0981281 5.48589  0.0959398 
1 1 1 10 2  15 o 8.43563  0.0759589 71.1695      1.28152  70.2764      1.82464  72.039       1.8003   8.38191  0.108844  8.48643  0.106069  
1 1 1 10 2  16 o 19.5474  0.134574  382.241      5.26115  385.603      7.59401  379.139      7.29574  19.6292  0.193436  19.4645  0.187412  
1 1 1 10 2  17 o 11.5303  0.0891705 132.966      2.05633  134.476      2.96784  131.573      2.85182  11.5948  0.127982  11.469   0.124327  
1 1 1 10 2  18 o 24.7776  0.172198  614.198      8.53331  617.004      12.2531  611.556      11.8909  24.8283  0.246757  24.719   0.240522  
1 1 1 10 2  19 o 1.8508   0.168708  3.42692      0.624489 2.73903      0.889443 4.09571      0.877011 1.65409  0.268862  2.02306  0.216753  
1 1 1 10 2  20 o 8.65672  0.079403  74.9466      1.37474  76.4444      1.98498  73.566       1.90579  8.7423   0.113527  8.57617  0.11111   
1 1 1 10 2  21 o 2.63893  0.142699  6.9668       0.753143 6.82061      1.05522  7.11861      1.07527  2.61055  0.202107  2.66698  0.201591  
1 1 1 10 2  22 o 8.02325  0.0862127 64.3829      1.38341  65.0202      1.93228  63.7126      1.98153  8.06225  0.119835  7.98068  0.124146  
1 1 1 10 2  23 o 8.13507  0.0977444 66.1949      1.59032  68.6646      2.2553   63.7525      2.24284  8.2845   0.136116  7.98256  0.140484  
1 1 1 10 2  24 o 10.6268  0.105099  112.965      2.23374  110.604      3.05612  115.673      3.27299  10.5136  0.145341  10.7515  0.152211  
1 1 1 10 2  25 f 12.4859  0.119508  155.979      2.98432  153.77       4.44013  157.798      4.03047  12.3931  0.179138  12.5558  0.160502  
1 1 1 10 2  26 o 8.2417   0.1018    67.9598      1.67801  68.3681      2.44743  67.5976      2.3051   8.26409  0.148076  8.21784  0.140249  
1 1 1 10 2  27 o 10.5369  0.103308  111.097      2.17708  108.092      3.05073  114.216      3.10777  10.39    0.146812  10.6803  0.14549   
1 1 1 10 2  28 o 6.89996  0.0989929 47.6451      1.36609  47.5538      1.91946  47.7388      1.94469  6.89077  0.139277  6.90404  0.140837  
1 1 1 10 2  29 o 5.62046  0.103183  31.6247      1.15987  33.0513      1.64127  30.2014      1.63934  5.74296  0.142894  5.48924  0.149323  
1 1 1 10 2  30 o 4.90198  0.111619  24.0671      1.09431  23.9556      1.53851  24.1812      1.55684  4.88682  0.157414  4.90967  0.158548  
1 1 1 10 2  31 o 3.23809  0.150006  10.5211      0.971465 10.5587      1.36879  10.483       1.37898  3.23831  0.211344  3.22643  0.213701  
1 1 1 10 2  32 o 6.37279  0.0985571 40.6868      1.25617  41.7531      1.7795   39.6277      1.77349  6.4501   0.137944  6.28326  0.141128  
1 1 1 10 2  33 o 1.65959  0.267194  2.79754      0.886863 2.43787      1.24684  3.16585      1.26172  1.50822  0.404799  1.72064  0.376962  
1 1 1 10 2  34 o 2.9457   0.174193  8.75005      1.02624  9.33772      1.44536  8.15258      1.45736  3.03222  0.238334  2.82964  0.257517  
1 1 1 10 2  35 o 1.55445  0.331112  2.59124      0.998785 3.42943      1.42833  1.78922      1.39717  1.77082  0.41089   1.32365  0.445621  
1 1 1 10 2  36 o 1.31705  0.375624  1.87263      1.03809  1.39196      1.46854  2.35271      1.46763  1.23392  0.453408  1.47134  0.453803  
1 1 1 10 2  37 o 1.26519  0.399837  1.70775      1.13042  0.788527     1.55625  2.73448      1.64473  1.11959  0.451275  1.56573  0.479894  
1 1 1 10 2  38 o 1.12706  0.378144  1.32022      1.00608  1.09285      1.42694  1.54499      1.41872  1.13962  0.440215  1.24122  0.446667  
1 1 1 10 2  39 o 2.17876  0.251851  4.93218      1.09745  6.25152      1.53093  3.5375       1.57402  2.42653  0.315456  1.74276  0.448939  
1 1 1 10 2  40 o 1.90647  0.282646  3.85136      1.07771  1.19662      1.52115  6.5269       1.5271   1.15431  0.452729  2.46841  0.309327  
1 1 1 10 2  41 o 1.01408  0.378898  0.991931     1.033    1.5463       1.46093  0.437627     1.46084  1.20853  0.450784  0.990808 0.421279  
1 1 1 10 2  42 o 1.67629  0.32626   3.20533      1.05478  2.73642      1.48833  3.67849      1.49507  1.46937  0.457762  1.7209   0.434138  
1 1 1 10 2  43 o 2.02229  0.258548  4.44386      1.04572  4.67399      1.48308  4.21632      1.4747   1.95481  0.393162  1.8367   0.411697  
1 1 1 10 2  44 o 2.08836  0.268552  4.89487      1.12167  6.69318      1.59543  3.1372       1.57729  2.36778  0.336903  1.46415  0.47328   
1 1 1 10 2  45 o 1.20859  0.404484  2.06715      1.15112  0.915674     1.61247  3.26386      1.64384  0.974983 0.428725  1.41674  0.48336   
1 1 1 10 2  46 o 0.763937 0.350302  0.112819     1.22206  0.167359     1.74396  0.0602004    1.71296  0.848773 0.398696  0.834989 0.393068  
1 1 1 10 2  47 o 0.685376 0.344804  -2.0433      2.0806   -3.12012     2.91649  -0.92732     2.96905  0.731995 0.372829  0.801445 0.403976  
1 1 1 10 2  48 o 0.661444 0.334421  -1.53145     2.1892   -4.65034     3.13571  1.43431      3.05776  ?        ?         0.78208  0.395412  
1 1 1 10 3  0  o 13.1462  0.126944  172.897      3.33696  172.897      3.33696  172.897      3.33696  13.1476  0.0897439 ?        ?         
1 1 1 10 3  1  o 10.5898  0.0745704 112.155      1.57937  110.065      2.1456   114.627      2.33332  10.4902  0.102267  10.7052  0.10898   
1 1 1 10 3  2  o 9.98658  0.0709233 99.7411      1.41656  100.11       2.01121  99.3778      1.99553  10.0045  0.100515  9.96789  0.100098  
1 1 1 10 3  3  o 17.9904  0.125023  323.752      4.49842  324.794      6.38423  322.724      6.33947  18.0165  0.177177  17.959   0.176498  
1 1 1 10 3  4  o 11.4273  0.0792957 130.6        1.81227  133.516      2.61552  127.907      2.5134   11.5534  0.113193  11.3082  0.111132  
1 1 1 10 3  5  o 10.8666  0.0743763 118.097      1.61644  116.907      2.26468  119.333      2.3079   10.8111  0.104739  10.9227  0.105647  
1 1 1 10 3  6  o 9.61498  0.0678368 92.4572      1.3045   92.6991      1.82945  92.2071      1.86063  9.62707  0.0950157 9.60145  0.0968931 
1 1 1 10 3  7  o 25.0796  0.168194  629.395      8.4365   628.672      11.7915  630.153      12.0756  25.0572  0.235291  25.086   0.240685  
1 1 1 10 3  8  o 12.8593  0.0880052 165.393      2.26337  167.779      3.24387  163.129      3.15958  12.9505  0.125241  12.7698  0.123713  
1 1 1 10 3  9  o 8.24698  0.063693  68.0196      1.05055  70.2812      1.50802  65.8871      1.46435  8.38253  0.08995   8.11626  0.090211  
1 1 1 10 3  10 o 9.44389  0.0815025 89.2026      1.5394   89.0311      2.23817  89.3565      2.12067  9.43389  0.118624  9.4513   0.112189  
1 1 1 10 3  11 o 9.66146  0.0742937 93.3577      1.43557  93.9367      2.0398   92.7894      2.02073  9.69064  0.105246  9.63129  0.104905  
1 1 1 10 3  12 o 6.84459  0.0730789 46.8554      1.00039  48.2885      1.43904  45.5151      1.39168  6.94795  0.103559  6.74549  0.103156  
1 1 1 10 3  13 o 16.5805  0.121076  275.02       4.015    274.545      5.6697   275.497      5.68647  16.563   0.171156  16.5916  0.171366  
1 1 1 10 3  14 o 15.4854  0.113105  239.873      3.50296  240.221      5.01961  239.543      4.89076  15.494   0.161986  15.4723  0.158049  
1 1 1 10 3  15 o 4.57499  0.0717093 20.933       0.656138 22.3309      0.950061 19.6583      0.907256 4.72499  0.100536  4.43321  0.102325  
1 1 1 10 3  16 o 23.0718  0.157029  532.567      7.2459   527.655      10.2786  537.419      10.2162  22.9593  0.223844  23.1711  0.22045   
1 1 1 10 3  17 o 14.2951  0.1027    204.384      2.9362   205.757      4.22304  203.1        4.08522  14.3417  0.147229  14.2489  0.143352  
1 1 1 10 3  18 o 13.5422  0.101423  183.42       2.74698  181.521      3.89521  185.299      3.8745   13.4709  0.144579  13.6104  0.142336  
1 1 1 10 3  19 f 2.72605  0.119538  7.43294      0.651735 7.87744      0.945446 7.03047      0.899644 2.80607  0.168465  2.65092  0.169685  
1 1 1 10 3  20 o 30.2732  0.206975  917.131      12.5316  917.123      17.7228  917.139      17.722   30.2617  0.292825  30.262   0.292809  
1 1 1 10 3  21 o 6.72555  0.0820896 45.2393      1.1042   44.9856      1.53253  45.5132      1.59233  6.70624  0.114261  6.74539  0.118031  
1 1 1 10 3  22 o 8.77515  0.0917973 77.0173      1.61107  78.1521      2.3293   75.9766      2.23069  8.83869  0.131767  8.71489  0.127982  
1 1 1 10 3  23 o 1.77397  0.266541  3.15257      0.94567  2.26161      1.29559  4.16854      1.38349  1.48125  0.418732  2.03874  0.339302  
1 1 1 10 3  24 o 4.0335   0.141145  16.2787      1.13861  16.4073      1.64452  16.1603      1.57803  4.0481   0.203122  4.01768  0.196385  
1 1 1 10 3  25 o 9.44216  0.107318  89.1932      2.02663  89.4976      2.91468  88.9084      2.81984  9.45604  0.154118  9.42511  0.149592  
1 1 1 10 3  26 o 8.54468  0.10701   73.0529      1.82873  72.5818      2.62657  73.496       2.54767  8.51448  0.154242  8.56829  0.148668  
1 1 1 10 3  27 o 6.88506  0.104533  47.4358      1.43943  46.2263      2.04988  48.6123      2.02174  6.79422  0.150855  6.96772  0.145079  
1 1 1 10 3  28 f 5.19448  0.113961  27.0099      1.18394  27.0469      1.67635  26.9732      1.67234  5.19534  0.161332  5.18826  0.161166  
1 1 1 10 3  29 o 1.87794  0.249774  3.54987      0.938118 3.42036      1.33184  3.6774       1.32162  1.8022   0.381228  1.87368  0.365729  
1 1 1 10 3  30 o 4.68525  0.114593  21.9885      1.0738   21.7338      1.52115  22.2415      1.51602  4.65398  0.163424  4.70827  0.160995  
1 1 1 10 3  31 o 4.40375  0.118753  19.4353      1.04592  19.8265      1.4953   19.0605      1.46352  4.44287  0.16828   4.35624  0.167979  
1 1 1 10 3  32 o 1.32998  0.336193  1.87665      0.895218 1.33597      1.27683  2.39941      1.2555   1.20442  0.424702  1.50019  0.407809  
1 1 1 10 3  33 o 1.72935  0.262039  3.03654      0.906316 5.09609      1.30475  1.1162       1.25988  2.23639  0.291708  1.14316  0.419973  
1 1 1 10 3  34 o 1.23055  0.368825  1.59394      0.978791 3.04888      1.40576  0.224872     1.36364  1.67361  0.420229  0.977148 0.410832  
1 1 1 10 3  35 o 3.32962  0.157937  11.177       1.05174  11.1293      1.48995  11.2244      1.48483  3.30831  0.225183  3.32284  0.223428  
1 1 1 10 3  36 o 2.31453  0.235338  5.46458      1.0894   4.65858      1.58892  6.17954      1.49651  2.06959  0.398078  2.44433  0.306118  
1 1 1 10 3  37 o 3.57764  0.171036  12.9591      1.22381  14.5045      1.68781  11.2459      1.77711  3.76812  0.223959  3.30255  0.269051  
1 1 1 10 3  38 o 2.61221  0.207266  6.98145      1.08284  8.27252      1.55817  5.77555      1.50591  2.81862  0.276407  2.33864  0.321961  
1 1 1 10 3  39 o 2.93556  0.196212  8.82317      1.15198  10.0711      1.61325  7.52476      1.64553  3.10864  0.259479  2.66474  0.30876   
1 1 1 10 3  40 o 4.69314  0.13311   22.3176      1.24941  21.1899      1.75349  23.4806      1.78069  4.54047  0.193095  4.78421  0.186101  
1 1 1 10 3  41 o 0.959055 0.372009  0.794806     1.02122  -0.184264    1.44216  1.77952      1.44631  0.888855 0.396765  1.25886  0.451189  
1 1 1 10 3  42 o 2.23232  0.240406  5.29787      1.07333  5.87726      1.52692  4.73195      1.50906  2.289    0.333535  1.99265  0.392641  
1 1 1 10 3  43 f 1.30165  0.377301  2.08084      1.03911  2.53633      1.52018  1.6814       1.4236   1.38161  0.464825  1.18182  0.444161  
1 1 1 10 3  44 o 0.72763  0.3324    -0.262582    1.08885  -1.57783     1.56682  0.965929     1.51427  0.722587 0.349869  1.00671  0.428502  
1 1 1 10 3  45 o 2.04913  0.280244  4.9111       1.14851  5.8874       1.60042  3.87445      1.64916  2.08757  0.397625  1.55467  0.481363  
1 1 1 10 3  46 o 0.575307 0.284846  -1.82904     1.22256  -1.92852     1.72352  -1.7283      1.73446  0.686927 0.33965   0.701213 0.345338  
1 1 1 10 3  47 o 0.845096 0.405687  0.939167     1.98033  0.289162     2.65838  1.74964      2.96843  0.831123 0.413028  0.901198 0.445631  
1 1 1 10 3  48 o ?        ?         -4.61856     2.41141  1.62466      3.91799  -8.4257      3.05955  ?        ?         ?        ?         
1 1 1 10 4  0  o 1.50103  0.064745  2.26574      0.193546 2.26574      0.193546 2.26574      0.193546 1.50315  0.0456188 ?        ?         
1 1 1 10 4  1  o 12.1625  0.0862941 147.946      2.09909  146.258      3.04182  149.481      2.90037  12.0919  0.12578   12.2246  0.118628  
1 1 1 10 4  2  o 22.6131  0.156468  511.596      7.07647  511.347      10.0034  511.845      10.0119  22.6021  0.221293  22.6131  0.221374  
1 1 1 10 4  3  o 20.2371  0.142199  409.705      5.75539  404.182      8.13405  415.242      8.14466  20.096   0.20238   20.3693  0.199925  
1 1 1 10 4  4  o 28.4141  0.188176  807.948      10.6937  809.656      15.149   806.252      15.0975  28.4333  0.266395  28.3736  0.266048  
1 1 1 10 4  5  o 7.43178  0.0552253 55.235       0.820844 54.2062      1.11889  56.434       1.20791  7.36202  0.0759909 7.51173  0.0804015 
1 1 1 10 4  6  o 4.71189  0.0463833 22.203       0.437107 22.7241      0.628214 21.714       0.608578 4.76674  0.0658955 4.6596   0.0653036 
1 1 1 10 4  7  o 1.40716  0.0867406 1.98044      0.244115 2.07739      0.34292  1.88083      0.34759  1.44108  0.118981  1.37117  0.126749  
1 1 1 10 4  8  o 30.5093  0.206436  931.787      12.5965  935.183      17.5012  928.137      18.1445  30.55    0.286435  30.4321  0.298114  
1 1 1 10 4  9  o 7.71703  0.0643508 59.5589      0.993194 60.3389      1.41628  58.8041      1.39318  7.76699  0.0911729 7.66758  0.0908491 
1 1 1 10 4  10 o 6.62238  0.0610426 43.8602      0.808495 43.5505      1.1351   44.1792      1.15185  6.59863  0.0860105 6.64609  0.0866561 
1 1 1 10 4  11 o 17.5178  0.131521  307.019      4.60794  305.638      6.40435  308.501      6.63498  17.4745  0.183248  17.5556  0.18897   
1 1 1 10 4  12 o 10.144   0.0903375 102.924      1.83277  105.15       2.66607  100.93       2.52364  10.2518  0.130029  10.0442  0.125627  
1 1 1 10 4  13 o 17.2926  0.124508  299.155      4.30614  299.823      6.16904  298.52       6.01353  17.3082  0.178212  17.2708  0.174095  
1 1 1 10 4  14 o 16.2342  0.123821  263.649      4.02028  266.239      5.97619  261.509      5.43355  16.31    0.183206  16.1656  0.168059  
1 1 1 10 4  15 o 12.5657  0.0943231 157.93       2.37048  158.134      3.43551  157.745      3.27497  12.5724  0.13663   12.5571  0.130403  
1 1 1 10 4  16 f 7.99457  0.0730557 63.9196      1.1681   62.6004      1.63297  65.3018      1.67158  7.91124  0.103206  8.08013  0.103438  
1 1 1 10 4  17 o 14.5178  0.104414  210.802      3.03172  210.928      4.24757  210.672      4.32857  14.5209  0.146257  14.512   0.149138  
1 1 1 10 4  18 o 11.8652  0.0915611 140.801      2.17279  140.049      3.13143  141.5        3.01733  11.8327  0.132321  11.894   0.126843  
1 1 1 10 4  19 o 12.9767  0.0993374 168.42       2.57815  170.258      3.81252  166.871      3.49964  13.0462  0.146117  12.916   0.135476  
1 1 1 10 4  20 o 25.7175  0.177068  661.748      9.10746  659.999      12.8536  663.511      12.9064  25.6763  0.250301  25.7444  0.250663  
1 1 1 10 4  21 o 6.74772  0.0823273 45.538       1.11104  44.5982      1.53747  46.5653      1.60737  6.67728  0.115127  6.8229   0.117792  
1 1 1 10 4  22 o 12.1609  0.106831  147.926      2.59833  149.591      3.66761  146.248      3.68163  12.2277  0.149971  12.0902  0.152257  
1 1 1 10 4  23 o 4.23377  0.122529  17.9317      1.03752  18.8464      1.45244  16.9786      1.48258  4.33968  0.167344  4.1188   0.179978  
1 1 1 10 4  24 o 3.48378  0.163841  12.1466      1.14158  11.5292      1.63913  12.7281      1.59082  3.39246  0.241585  3.56496  0.223118  
1 1 1 10 4  25 o 8.83438  0.103242  78.0788      1.82416  78.0884      2.64306  78.07        2.52078  8.83286  0.149615  8.83218  0.142705  
1 1 1 10 4  26 o 8.2829   0.105071  68.6448      1.74059  67.0018      2.40445  70.4538      2.52294  8.18099  0.146953  8.38887  0.150374  
1 1 1 10 4  27 o 11.907   0.109098  141.882      2.59806  145.207      3.84151  139.079      3.52702  12.0405  0.159525  11.7848  0.149642  
1 1 1 10 4  28 o 3.15645  0.166575  9.98532      1.05157  8.48061      1.53808  11.306       1.44095  2.90392  0.264828  3.35619  0.214671  
1 1 1 10 4  29 o 1.35858  0.343184  1.94161      0.933319 2.06905      1.35083  1.8252       1.29103  1.421    0.434782  1.34713  0.427458  
1 1 1 10 4  30 o 2.01096  0.232847  4.07268      0.936493 4.35242      1.34831  3.81193      1.30172  2.07191  0.325377  1.90731  0.354504  
1 1 1 10 4  31 o 2.57764  0.182072  6.67889      0.938628 6.26018      1.32187  7.10472      1.33305  2.4881   0.265637  2.65217  0.251312  
1 1 1 10 4  32 o 2.16814  0.208334  4.74046      0.903392 4.42493      1.27929  5.05432      1.27589  2.08459  0.306845  2.23055  0.286005  
1 1 1 10 4  33 o 3.86719  0.129     15.0117      0.997736 16.482       1.41861  13.5724      1.40353  4.04576  0.175321  3.66891  0.191274  
1 1 1 10 4  34 o 1.29526  0.367498  1.79007      0.996166 1.42097      1.42497  2.14286      1.39315  1.24293  0.447613  1.4222   0.442845  
1 1 1 10 4  35 o 1.41707  0.350701  2.17025      0.989842 3.35013      1.45859  1.16299      1.34767  1.74561  0.421865  1.16127  0.432998  
1 1 1 10 4  36 o 1.20802  0.393049  1.51358      1.08695  1.52376      1.53985  1.50347      1.53453  1.27456  0.464681  1.26913  0.463762  
1 1 1 10 4  37 o 0.973262 0.380084  0.686272     1.06978  0.857717     1.57564  0.539653     1.45709  1.13462  0.455425  1.04667  0.43128   
1 1 1 10 4  38 o 1.36209  0.379605  2.06602      1.07222  3.98374      1.57411  0.406061     1.46451  1.87144  0.429435  1.01406  0.426026  
1 1 1 10 4  39 o 2.36581  0.239615  5.79819      1.13377  3.86354      1.58246  7.83866      1.62516  1.82537  0.438331  2.7241   0.298293  
1 1 1 10 4  40 o 1.67376  0.327552  3.10816      1.05739  1.32746      1.50386  4.84922      1.48703  1.17754  0.452542  2.07388  0.372005  
1 1 1 10 4  41 o 2.92452  0.186229  8.81231      1.08926  7.56588      1.55602  10.01        1.52533  2.65292  0.293267  3.08265  0.247406  
1 1 1 10 4  42 o 1.34532  0.377456  2.1702       1.05663  1.17657      1.49748  3.15541      1.49113  1.10523  0.443837  1.57386  0.450608  
1 1 1 10 4  43 o 0.73313  0.328336  -0.13987     0.994879 0.482217     1.42013  -0.739429    1.39417  0.948169 0.40954   0.775448 0.362741  
1 1 1 10 4  44 f 1.25681  0.388602  2.08221      1.07529  0.360731     1.52014  3.8062       1.52125  0.913573 0.407587  1.64225  0.450001  
1 1 1 10 4  45 o 0.66343  0.311233  -0.510266    1.05091  -0.316945    1.48196  -0.705817    1.49048  0.792984 0.371574  0.755736 0.360159  
1 1 1 10 4  46 o 0.886783 0.390794  0.863243     1.34644  0.44168      1.92707  1.26533      1.88203  0.890039 0.418378  0.971108 0.441684  
1 1 1 10 4  47 o 0.777232 0.376169  0.21791      1.80398  0.0814145    2.59859  0.344885     2.50633  0.815403 0.405649  0.823543 0.407775  
1 1 1 10 4  48 o ?        ?         -3.16437     2.6209   1.11266      4.02106  -6.32352     3.45585  ?        ?         ?        ?         
1 1 1 10 5  0  o 26.9624  0.25841   727.643      13.9318  727.643      13.9318  727.643      13.9318  26.9685  0.182663  ?        ?         
1 1 1 10 5  1  f 9.52919  0.0687308 90.8139      1.3099   92.7126      1.86473  88.9643      1.84046  9.62784  0.0968403 9.43119  0.0975732 
1 1 1 10 5  2  o 8.96444  0.0686779 80.3688      1.23132  80.2898      1.81212  80.4365      1.67826  8.95953  0.101128  8.96784  0.0935712 
1 1 1 10 5  3  o 14.9679  0.10585   224.089      3.16871  222.803      4.51184  225.341      4.45123  14.923   0.15117   15.0079  0.148296  
1 1 1 10 5  4  o 20.0975  0.136509  404.068      5.48696  410.132      7.87201  398.338      7.65213  20.2435  0.194433  19.9505  0.191778  
1 1 1 10 5  5  o 19.9229  0.132606  397.074      5.28378  398.123      7.48688  396.034      7.458    19.9452  0.187686  19.8928  0.187455  
1 1 1 10 5  6  o 25.6083  0.169869  656.219      8.70011  655.715      12.2935  656.724      12.3142  25.5899  0.240202  25.6095  0.240422  
1 1 1 10 5  7  o 4.47004  0.0461558 19.9823      0.412637 19.8224      0.570465 20.1578      0.597594 4.45202  0.0640681 4.4895   0.0665546 
1 1 1 10 5  8  o 11.7576  0.0822038 138.265      1.93304  138.921      2.71753  137.593      2.75023  11.7845  0.115301  11.728   0.117251  
1 1 1 10 5  9  o 9.45589  0.0754567 89.427       1.42702  90.2112      2.00623  88.6238      2.03021  9.49659  0.105629  9.41261  0.107845  
1 1 1 10 5  10 o 10.1698  0.079891  103.442      1.62495  103.338      2.29375  103.548      2.30232  10.1638  0.11284   10.1741  0.113146  
1 1 1 10 5  11 o 7.75951  0.0723745 60.2186      1.12318  59.5297      1.55568  60.9688      1.62332  7.71447  0.100828  7.80709  0.103964  
1 1 1 10 5  12 o 9.635    0.0798438 92.8496      1.53859  92.8305      2.14115  92.8701      2.21239  9.63321  0.111134  9.63516  0.114808  
1 1 1 10 5  13 o 17.8712  0.125435  319.509      4.48334  319.987      6.27746  319.013      6.40526  17.881   0.175534  17.8535  0.179384  
1 1 1 10 5  14 o 17.6237  0.13178   310.727      4.64492  309.663      6.72172  311.699      6.42606  17.5893  0.191074  17.6478  0.182064  
1 1 1 10 5  15 o 5.71662  0.0661625 32.6831      0.756452 30.5636      1.05924  34.8891      1.08065  5.52784  0.09581   5.90612  0.0914853 
1 1 1 10 5  16 o 8.92937  0.0767506 79.7422      1.37067  78.8206      1.92795  80.684       1.94905  8.87713  0.108591  8.98145  0.108504  
1 1 1 10 5  17 o 25.3669  0.170516  643.766      8.65093  649.215      12.332   638.486      12.1388  25.4682  0.242107  25.257   0.240306  
1 1 1 10 5  18 o 17.8559  0.130734  318.913      4.66874  324.545      7.14395  314.714      6.16818  18.0098  0.198335  17.7361  0.173887  
1 1 1 10 5  19 o 26.7554  0.181624  716.207      9.71888  718.032      13.9266  714.474      13.5695  26.7822  0.259998  26.7164  0.253954  
1 1 1 10 5  20 o 5.51848  0.0816457 30.4572      0.90112  30.4663      1.27964  30.4483      1.26917  5.51896  0.115932  5.51734  0.115017  
1 1 1 10 5  21 o 4.72214  0.0976518 22.303       0.92225  21.9971      1.32621  22.5895      1.28336  4.68913  0.141413  4.75194  0.135036  
1 1 1 10 5  22 o 13.6621  0.119609  186.713      3.26821  187.579      4.63783  185.859      4.60623  13.6915  0.169369  13.6286  0.168991  
1 1 1 10 5  23 o 11.3113  0.100058  127.98       2.26357  129.538      3.16201  126.342      3.24182  11.3786  0.138946  11.2371  0.144246  
1 1 1 10 5  24 o 8.34234  0.107002  69.6192      1.78529  70.6039      2.59906  68.7395      2.45654  8.3995   0.154715  8.28811  0.148196  
1 1 1 10 5  25 f 10.9084  0.103211  119.045      2.25173  117.082      3.13081  121.148      3.24089  10.8158  0.144733  11.0018  0.147289  
1 1 1 10 5  26 o 6.91781  0.108527  47.8855      1.50154  47.8111      2.08858  47.9651      2.16023  6.91047  0.151117  6.92132  0.156056  
1 1 1 10 5  27 o 15.962   0.125475  255.042      4.00566  259.03       5.77321  251.34       5.56238  16.0776  0.179542  15.8379  0.175604  
1 1 1 10 5  28 o 4.11279  0.132612  16.9397      1.09081  16.5561      1.5732   17.2949      1.5138   4.06256  0.193622  4.15296  0.182256  
1 1 1 10 5  29 o 3.64251  0.138405  13.2954      1.00828  13.1128      1.44502  13.4688      1.40756  3.61334  0.199956  3.66266  0.19215   
1 1 1 10 5  30 o 7.99913  0.095659  64.0648      1.53038  65.1499      2.22645  63.093       2.10704  8.06123  0.138096  7.93372  0.13279   
1 1 1 10 5  31 o 3.5114   0.138562  12.368       0.973094 11.4267      1.38764  13.2789      1.36497  3.36875  0.205957  3.63363  0.187824  
1 1 1 10 5  32 o 4.64058  0.11504   21.5914      1.06771  22.3962      1.54433  20.8544      1.47779  4.72003  0.163594  4.55486  0.162221  
1 1 1 10 5  33 o 1.78016  0.249503  3.21462      0.888311 2.62285      1.27629  3.77066      1.23715  1.56113  0.405284  1.88968  0.339702  
1 1 1 10 5  34 o 4.32383  0.13716   18.7963      1.18611  16.3617      1.66256  21.3199      1.69268  4.0206   0.206755  4.59524  0.184177  
1 1 1 10 5  35 o 2.86316  0.178009  8.28586      1.01933  7.98193      1.479    8.56084      1.40682  2.79184  0.26488   2.89675  0.242827  
1 1 1 10 5  36 o 4.70987  0.13811   22.3411      1.30096  24.0449      1.85891  20.7054      1.82133  4.87031  0.190841  4.51591  0.201657  
1 1 1 10 5  37 o 1.61852  0.333961  2.842        1.04415  5.16748      1.50723  0.696121     1.44786  2.21553  0.340151  1.07186  0.433938  
1 1 1 10 5  38 o 0.668078 0.311721  -0.838835    1.02135  -1.77033     1.51382  -0.060547    1.38374  0.750546 0.35894   0.913067 0.39935   
1 1 1 10 5  39 o 1.52895  0.360161  2.61896      1.08447  2.36273      1.52381  2.88193      1.54373  1.43572  0.465297  1.56966  0.46146   
1 1 1 10 5  40 o 0.748293 0.333808  -0.247082    1.01935  -1.89123     1.46486  1.29653      1.41937  0.713655 0.344123  1.15858  0.441269  
1 1 1 10 5  41 o 0.83074  0.351525  0.247437     1.00896  1.66241      1.44488  -1.09921     1.40956  1.23037  0.44997   0.765186 0.359235  
1 1 1 10 5  42 o 0.619266 0.296071  -1.11403     1.02805  -2.10816     1.47538  -0.175806    1.4333   0.682774 0.33287   0.86809  0.391216  
1 1 1 10 5  43 o 0.841275 0.349774  0.46157      0.971048 -0.0259387   1.37801  0.942424     1.36857  0.860044 0.385766  1.01867  0.41856   
1 1 1 10 5  44 o 1.00315  0.384378  1.19486      1.08232  2.0526       1.56362  0.40586      1.49965  1.20227  0.46162   0.913176 0.406191  
1 1 1 10 5  45 f 0.7755   0.344266  0.23673      1.07109  0.307122     1.46591  0.156108     1.56883  0.860402 0.390925  0.858453 0.395006  
1 1 1 10 5  46 o 0.585639 0.291229  -2.10344     1.33277  -1.05762     1.94488  -3.02936     1.82999  0.77497  0.378647  0.647603 0.324751  
1 1 1 10 5  47 o 0.800135 0.381833  0.634754     1.68973  0.810196     2.47805  0.482293     2.31007  0.841157 0.414282  0.818364 0.403103  
1 1 1 10 5  48 o 0.666842 0.339296  -1.52066     2.36319  0.362299     3.88905  -2.62294     2.97555  ?        ?         ?        ?         
1 1 1 10 6  0  o 12.3999  0.120274  153.823      2.98212  153.823      2.98212  153.823      2.98212  12.4012  0.0850283 ?        ?         
1 1 1 10 6  1  o 32.7719  0.22927   1075.15      15.0272  1073.75      21.4759  1076.49      21.0344  32.7318  0.328059  32.775   0.320891  
1 1 1 10 6  2  o 7.52194  0.0571519 56.5835      0.859787 56.6259      1.2166   56.5411      1.21524  7.5245   0.0808426 7.51887  0.080813  
1 1 1 10 6  3  o 23.1674  0.164402  537.033      7.61754  537.976      10.7934  536.098      10.7524  23.1808  0.232808  23.1404  0.232329  
1 1 1 10 6  4  f 26.6522  0.184534  710.865      9.83647  715.944      14.3292  706.339      13.5272  26.736   0.267975  26.5581  0.254672  
1 1 1 10 6  5  o 10.0826  0.0698225 101.669      1.40798  101.269      1.98485  102.074      1.99758  10.0621  0.0986294 10.1021  0.0988699 
1 1 1 10 6  6  o 12.7322  0.086618  162.138      2.20568  162.218      3.12027  162.058      3.11833  12.7342  0.122515  12.7279  0.1225    
1 1 1 10 6  7  o 10.4804  0.0731209 109.852      1.53267  110.219      2.17468  109.49       2.16043  10.4971  0.103584  10.4624  0.103247  
1 1 1 10 6  8  o 19.2795  0.134589  371.87       5.18961  372.123      7.34138  371.617      7.33706  19.2817  0.190372  19.2686  0.190389  
1 1 1 10 6  9  o 3.55325  0.0582103 12.6267      0.413671 12.9074      0.570719 12.3159      0.600451 3.59239  0.0794344 3.50907  0.085557  
1 1 1 10 6  10 o 6.8399   0.063204  46.7892      0.864618 46.9105      1.23713  46.6734      1.20887  6.84837  0.090323  6.83107  0.088483  
1 1 1 10 6  11 o 8.20337  0.0758771 67.3061      1.2449   68.1112      1.72756  66.4364      1.7955   8.25169  0.104679  8.14948  0.11016   
1 1 1 10 6  12 o 5.6324   0.066474  31.7277      0.748815 30.1666      1.00412  33.6837      1.12396  5.49179  0.0914197 5.80303  0.0968425 
1 1 1 10 6  13 o 9.75952  0.0771994 95.2626      1.50686  94.7528      2.12089  95.7823      2.14129  9.73263  0.108958  9.78535  0.109413  
1 1 1 10 6  14 f 16.3945  0.121966  268.875      3.99915  269.418      5.59934  268.31       5.7137   16.4082  0.170627  16.3741  0.174474  
1 1 1 10 6  15 o 8.08889  0.0738213 65.4379      1.19426  64.0547      1.74918  66.6456      1.63453  8.00236  0.109291  8.16277  0.100121  
1 1 1 10 6  16 o 12.856   0.103342  165.308      2.65713  164.583      4.0125   165.875      3.54608  12.8262  0.156418  12.8771  0.137689  
1 1 1 10 6  17 o 8.87547  0.0755855 78.7806      1.34171  79.0904      1.93258  78.4923      1.86421  8.89249  0.108663  8.85885  0.105217  
1 1 1 10 6  18 o 27.2862  0.185108  744.914      10.1018  746.451      14.4707  743.454      14.1084  27.3067  0.264966  27.2525  0.258845  
1 1 1 10 6  19 o 8.96354  0.0786394 80.3526      1.40978  80.2061      2.01325  80.4936      1.97475  8.9549   0.112411  8.97097  0.110063  
1 1 1 10 6  20 o 10.2685  0.0853761 105.455      1.75336  107.041      2.48401  103.881      2.47526  10.3447  0.120063  10.1908  0.121446  
1 1 1 10 6  21 o 4.31338  0.0977842 18.609       0.843561 18.6198      1.19337  18.5982      1.19258  4.3142   0.138307  4.31169  0.138296  
1 1 1 10 6  22 o 8.65016  0.100639  74.8426      1.74109  74.7026      2.46494  74.982       2.45963  8.64105  0.14263   8.65721  0.142056  
1 1 1 10 6  23 o 14.5643  0.120363  212.201      3.50601  224.277      5.05766  201.03       4.86448  14.9701  0.168925  14.1729  0.171612  
1 1 1 10 6  24 o 2.92397  0.204459  8.56089      1.19566  9.62548      1.75408  7.63691      1.63413  3.09856  0.283047  2.75966  0.296075  
1 1 1 10 6  25 o 2.2714   0.223337  5.17017      1.01458  5.7415       1.45453  4.62879      1.4159   2.3914   0.304118  2.14646  0.329823  
1 1 1 10 6  26 o 4.73428  0.129713  22.4336      1.2282   22.7982      1.7172   22.0518      1.75736  4.77064  0.179976  4.69156  0.18729   
1 1 1 10 6  27 o 11.9557  0.104052  143.041      2.48803  143.799      3.54431  142.304      3.49345  11.9829  0.147891  11.9206  0.14653   
1 1 1 10 6  28 o 3.51334  0.145744  12.3661      1.0241   12.0547      1.46885  12.6608      1.42858  3.46526  0.211939  3.552    0.201095  
1 1 1 10 6  29 o 8.51763  0.0949288 72.6223      1.61714  72.5161      2.29098  72.7277      2.283    8.50712  0.134651  8.51961  0.133985  
1 1 1 10 6  30 o 3.75151  0.134897  14.109       1.01214  14.5221      1.46403  13.7308      1.40081  3.80112  0.192579  3.69641  0.189483  
1 1 1 10 6  31 o 3.33917  0.144833  11.1885      0.967243 12.0294      1.3971   10.4146      1.34044  3.45664  0.202089  3.21558  0.208428  
1 1 1 10 6  32 o 0.631753 0.293073  -0.751887    0.886355 0.944841     1.30065  -2.22307     1.21112  1.11381  0.422938  0.613434 0.299519  
1 1 1 10 6  33 o 0.817124 0.33587   0.243394     0.881563 0.442692     1.26907  0.0575437    1.22551  0.992772 0.40467   0.904357 0.385228  
1 1 1 10 6  34 o 1.01425  0.36984   0.894528     0.975467 0.637982     1.38751  1.14525      1.37167  1.0617   0.426866  1.16733  0.436522  
1 1 1 10 6  35 o 1.61406  0.317756  2.78065      0.989212 3.48061      1.47211  2.20437      1.33573  1.77846  0.420062  1.42744  0.431469  
1 1 1 10 6  36 o 0.815711 0.351065  -0.00536797  1.03641  -0.423856    1.47132  0.40679      1.46015  0.900164 0.401314  1.02901  0.428437  
1 1 1 10 6  37 o 1.20886  0.373568  1.57248      0.993889 1.39451      1.41372  1.74639      1.39757  1.21209  0.444915  1.29489  0.445501  
1 1 1 10 6  38 o 0.639031 0.302916  -1.13903     1.04191  -1.59061     1.52142  -0.740187    1.4298   0.769033 0.36525   0.831913 0.380399  
1 1 1 10 6  39 o 2.52112  0.214674  6.54455      1.08244  6.81222      1.54176  6.28436      1.52006  2.53515  0.304077  2.43102  0.312639  
1 1 1 10 6  40 o 1.37021  0.368866  2.14305      1.03337  2.60953      1.49532  1.7166       1.42971  1.48196  0.458263  1.25602  0.44875   
1 1 1 10 6  41 o 1.5636   0.337849  2.77325      1.02655  2.6355       1.47623  2.90224      1.42846  1.47185  0.455368  1.54751  0.440393  
1 1 1 10 6  42 o 1.17734  0.382447  1.64143      1.02911  2.20535      1.47952  1.11288      1.43237  1.32467  0.458122  1.07981  0.433893  
1 1 1 10 6  43 o 1.14152  0.37378   1.57913      0.982989 2.38219      1.40613  0.811568     1.37471  1.34358  0.447048  0.99276  0.414678  
1 1 1 10 6  44 o 0.992482 0.392326  1.1325       1.15031  0.245646     1.59161  2.10232      1.66441  0.906449 0.410174  1.20744  0.473568  
1 1 1 10 6  45 o 0.526631 0.261339  -1.88796     1.04546  -2.34483     1.46769  -1.41738     1.48956  0.62091  0.308333  0.690019 0.336055  
1 1 1 10 6  46 o 0.58003  0.289272  -2.30733     1.36254  -3.4127      1.93731  -1.22536     1.91671  0.649583 0.3272    0.758933 0.372041  
1 1 1 10 6  47 o 0.658707 0.324463  -0.87497     1.48766  -1.76682     2.06627  0.084883     2.14359  0.687858 0.344999  0.78671  0.387498  
1 1 1 10 7  0  o 15.0982  0.149175  228.076      4.50356  228.076      4.50356  228.076      4.50356  15.1002  0.105457  ?        ?         
1 1 1 10 7  1  o 29.2867  0.207395  858.487      12.1478  866.971      17.3455  850.319      17.0184  29.4171  0.29482   29.1337  0.292074  
1 1 1 10 7  2  o 20.7476  0.147329  430.662      6.11345  431.873      8.67071  429.465      8.62095  20.7718  0.208714  20.7138  0.208096  
1 1 1 10 7  3  o 26.0796  0.184817  680.651      9.63988  681.449      13.65    679.857      13.6158  26.0849  0.261645  26.0544  0.261295  
1 1 1 10 7  4  o 24.0567  0.163133  579.07       7.84888  578.107      11.0826  580.039      11.1175  24.0294  0.230605  24.0695  0.230946  
1 1 1 10 7  5  o 17.4894  0.118143  305.979      4.1325   306.946      5.92325  305.062      5.76832  17.514   0.1691    17.4605  0.165182  
1 1 1 10 7  6  o 17.083   0.117016  291.923      3.99795  292.582      5.79397  291.324      5.52363  17.0991  0.169423  17.0628  0.161861  
1 1 1 10 7  7  o 19.829   0.132404  393.36       5.25088  393.408      7.42319  393.311      7.42853  19.8259  0.18721   19.8234  0.187367  
1 1 1 10 7  8  o 8.47626  0.0690808 71.8557      1.17109  71.5767      1.67446  72.1228      1.63847  8.45924  0.0989725 8.4915   0.0964773 
1 1 1 10 7  9  o 12.9415  0.0939621 167.521      2.43202  166.156      3.4539   168.863      3.42506  12.8871  0.134006  12.9917  0.131817  
1 1 1 10 7  10 o 10.4866  0.0916953 109.994      1.92315  110.135      2.64414  109.837      2.80222  10.4922  0.126005  10.4778  0.133722  
1 1 1 10 7  11 o 23.6516  0.193487  559.985      9.15257  563.48       12.6246  556.113      13.2882  23.7142  0.266183  23.5558  0.282058  
1 1 1 10 7  12 o 15.1317  0.111296  229.043      3.3682   226.78       4.60739  231.642      4.93632  15.0545  0.153024  15.2144  0.162225  
1 1 1 10 7  13 o 13.7119  0.101473  188.065      2.78279  190.701      3.93619  185.432      3.93474  13.8059  0.142554  13.6137  0.144514  
1 1 1 10 7  14 o 13.7618  0.103601  189.435      2.85148  190.494      4.05315  188.398      4.01235  13.7984  0.146871  13.7223  0.146198  
1 1 1 10 7  15 o 7.25122  0.0683616 52.5853      0.99141  52.2908      1.40153  52.8803      1.4026   7.23053  0.0969179 7.27118  0.0964492 
1 1 1 10 7  16 o 1.50814  0.180071  2.27573      0.543146 2.26038      0.782038 2.29004      0.754928 1.4787   0.274715  1.51248  0.249566  
1 1 1 10 7  17 o 9.94443  0.0816352 98.9013      1.62363  97.1651      2.34688  100.495      2.24859  9.85619  0.119056  10.0238  0.112163  
1 1 1 10 7  18 o 10.6355  0.0849732 113.125      1.80746  111.118      2.57953  115.061      2.53336  10.5401  0.122368  10.7255  0.1181    
1 1 1 10 7  19 o 21.456   0.14788   460.52       6.34582  458.574      9.04059  462.41       8.90954  21.4066  0.211163  21.4963  0.207235  
1 1 1 10 7  20 o 10.152   0.0844115 103.077      1.71389  99.977       2.36695  106.494      2.48497  9.9975   0.118377  10.3181  0.120417  
1 1 1 10 7  21 o 10.0288  0.0863382 100.593      1.73174  100.735      2.4441   100.45       2.45403  10.0351  0.121778  10.0209  0.122446  
1 1 1 10 7  22 o 6.0181   0.103068  36.2264      1.24055  35.8115      1.72403  36.672       1.78644  5.98281  0.144082  6.05419  0.147537  
1 1 1 10 7  23 o 15.7331  0.117252  247.625      3.6895   250.76       5.22203  244.501      5.21346  15.8295  0.164946  15.6305  0.166772  
1 1 1 10 7  24 o 6.73997  0.122301  45.4494      1.64861  44.5001      2.38901  46.3126      2.27791  6.66733  0.179158  6.80221  0.167439  
1 1 1 10 7  25 o 8.9384   0.0985583 79.9294      1.76191  82.5337      2.54164  77.5201      2.44462  9.08082  0.139945  8.80075  0.138887  
1 1 1 10 7  26 o 5.19809  0.122736  27.0425      1.27598  25.854       1.76083  28.3567      1.8516   5.08051  0.173293  5.32069  0.174     
1 1 1 10 7  27 o 7.48733  0.0972086 56.0961      1.45567  57.5096      2.06395  54.697       2.05334  7.57868  0.136168  7.39084  0.138911  
1 1 1 10 7  28 o 2.9811   0.163642  8.90829      0.975665 10.0808      1.38335  7.74778      1.37628  3.16824  0.218314  2.77583  0.247904  
1 1 1 10 7  29 f 6.74862  0.0963725 45.5915      1.30076  45.782       1.86265  45.4101      1.8173   6.75901  0.13779   6.73179  0.134979  
1 1 1 10 7  30 o 7.00435  0.0955347 49.1235      1.33832  49.6946      1.91689  48.5804      1.86934  7.0403   0.136137  6.96117  0.134269  
1 1 1 10 7  31 o 2.16131  0.208638  4.70563      0.901864 4.85917      1.29276  4.56006      1.25878  2.18816  0.295399  2.11958  0.29694   
1 1 1 10 7  32 o 0.754003 0.324276  -0.0471966   0.883102 -0.616092    1.25539  0.51007      1.2425   0.808223 0.36508   1.00151  0.403414  
1 1 1 10 7  33 o 2.72091  0.175381  7.45845      0.954392 7.46475      1.37086  7.45252      1.32952  2.7113   0.252806  2.71029  0.245272  
1 1 1 10 7  34 o 2.58038  0.191156  6.73014      0.986506 8.3867       1.41918  5.18131      1.37226  2.87037  0.247213  2.24571  0.30553   
1 1 1 10 7  35 o 1.3751   0.357561  2.04912      0.992401 0.63569      1.43846  3.33292      1.37091  1.06774  0.43242   1.74438  0.401087  
1 1 1 10 7  36 f 2.03426  0.258612  4.24591      1.05217  5.47736      1.50963  3.08263      1.46726  2.29247  0.329258  1.66452  0.435679  
1 1 1 10 7  37 o 3.62087  0.146742  13.2508      1.06267  12.2029      1.50463  14.2936      1.50105  3.45319  0.21786   3.74387  0.200468  
1 1 1 10 7  38 f 3.29519  0.178495  11.0567      1.17635  11.0554      1.79363  11.0576      1.55831  3.25461  0.275552  3.27234  0.238104  
1 1 1 10 7  39 o 2.39861  0.225897  5.94537      1.08368  6.7153       1.52065  5.15086      1.54473  2.517    0.302076  2.18144  0.354062  
1 1 1 10 7  40 o 1.00242  0.38224   0.898297     1.06606  3.72827      1.53447  -1.74205     1.48217  1.77578  0.43492   0.732561 0.351496  
1 1 1 10 7  41 o 2.64252  0.207729  7.24879      1.09785  7.99339      1.56494  6.52722      1.54054  2.72985  0.286635  2.45003  0.314392  
1 1 1 10 7  42 o 1.12323  0.3823    1.46748      1.02831  2.48414      1.46267  0.473893     1.44599  1.39271  0.455947  0.965316 0.415043  
1 1 1 10 7  43 o 0.564818 0.27449   -1.39628     0.982092 -1.38129     1.41972  -1.41004     1.35998  0.714918 0.343268  0.694217 0.333969  
1 1 1 10 7  44 o 0.760211 0.34278   -0.031135    1.10181  -0.395919    1.5512   0.340304     1.56528  0.822502 0.383923  0.912822 0.410242  
1 1 1 10 7  45 o 0.823427 0.355874  0.53915      1.07355  3.22183      1.55623  -1.89658     1.48288  1.38856  0.470304  0.65154  0.320899  
1 1 1 10 7  46 o 0.759847 0.35568   -0.0354642   1.34509  -0.183522    1.87008  0.123238     1.93614  0.82342  0.395027  0.855273 0.408284  
1 1 1 10 7  47 o 0.643811 0.317074  -1.0512      1.45867  2.20454      2.21955  -3.52641     1.93529  0.934294 0.44252   0.60357  0.30709   
1 1 1 10 8  0  o 29.5412  0.276966  873.636      16.3606  873.636      16.3606  873.636      16.3606  29.5492  0.195772  ?        ?         
1 1 1 10 8  1  o 15.4657  0.109334  239.25       3.38185  237.903      4.81897  240.557      4.74715  15.42    0.156258  15.5059  0.153076  
1 1 1 10 8  2  o 20.0815  0.14449   403.45       5.80313  403.48       8.11283  403.419      8.30426  20.0777  0.202036  20.0757  0.206823  
1 1 1 10 8  3  o 15.1275  0.109844  228.904      3.32334  228.061      4.62823  229.801      4.77503  15.0977  0.153276  15.1549  0.157541  
1 1 1 10 8  4  f 16.2242  0.115104  263.306      3.73494  260.3        5.2907   266.292      5.27334  16.1288  0.164014  16.3135  0.161625  
1 1 1 10 8  5  o 8.27416  0.0608658 68.4678      1.00723  69.5088      1.48113  67.5722      1.37379  8.33641  0.0888351 8.21955  0.0835684 
1 1 1 10 8  6  o 13.0191  0.0886149 169.529      2.30737  171.785      3.30273  167.379      3.2249   13.1041  0.126019  12.935   0.124658  
1 1 1 10 8  7  o 10.0259  0.072207  100.532      1.44789  102.42       2.07691  98.7477      2.01954  10.1189  0.102625  9.93589  0.101628  
1 1 1 10 8  8  o 8.67551  0.0710765 75.2743      1.23325  74.0597      1.71824  76.5649      1.77112  8.60468  0.0998433 8.74897  0.101219  
1 1 1 10 8  9  o 12.2892  0.0910105 151.057      2.23689  151.222      3.16513  150.893      3.16175  12.2945  0.128721  12.2811  0.128724  
1 1 1 10 8  10 o 14.009   0.112541  196.319      3.15316  194.463      4.36194  198.35       4.56338  13.9403  0.15645   14.0786  0.162068  
1 1 1 10 8  11 o 13.3888  0.10304   179.313      2.75918  176.449      3.70457  182.881      4.13494  13.2798  0.139481  13.519   0.152931  
1 1 1 10 8  12 o 5.39335  0.062263  29.0911      0.671612 30.1883      0.953519 28.011       0.94613  5.49384  0.0867807 5.29199  0.0893927 
1 1 1 10 8  13 o 16.358   0.118297  267.678      3.87021  268.601      5.55307  266.806      5.39689  16.3832  0.169474  16.3287  0.165258  
1 1 1 10 8  14 o 3.82605  0.0772624 14.6407      0.59122  13.9034      0.805332 15.5026      0.870715 3.72822  0.108005  3.93677  0.110588  
1 1 1 10 8  15 o 13.8142  0.0996396 190.869      2.75288  193.571      3.93884  188.288      3.84904  13.9102  0.141581  13.7192  0.14028   
1 1 1 10 8  16 o 10.981   0.0879245 120.596      1.93099  120.46       2.75894  120.727      2.70357  10.974   0.125703  10.9862  0.123044  
1 1 1 10 8  17 o 7.89606  0.0867918 62.3546      1.37063  63.0324      2.12285  61.8701      1.79488  7.93823  0.133711  7.86499  0.114106  
1 1 1 10 8  18 o 12.3715  0.102097  153.077      2.52618  148.86       3.54471  157.429      3.60107  12.1989  0.145288  12.5451  0.143525  
1 1 1 10 8  19 o 24.306   0.168024  591.057      8.16799  588.995      11.77    592.973      11.3443  24.2573  0.242608  24.34    0.233038  
1 1 1 10 8  20 o 9.48178  0.082875  89.9164      1.57161  89.3305      2.22646  90.4983      2.21873  9.45017  0.1178    9.51177  0.116631  
1 1 1 10 8  21 o 5.23313  0.089104  27.3904      0.932586 25.8468      1.30395  29.0067      1.33433  5.08307  0.128264  5.38489  0.123895  
1 1 1 10 8  22 o 18.7065  0.153676  350.13       5.74947  349.988      8.01751  350.28       8.2494   18.6976  0.214399  18.7048  0.220516  
1 1 1 10 8  23 o 15.9673  0.118391  255.055      3.78078  255.734      5.30479  254.354      5.38988  15.9855  0.165926  15.942   0.169046  
1 1 1 10 8  24 o 7.66976  0.114453  58.8516      1.75565  61.0651      2.52467  56.7789      2.44307  7.81092  0.161611  7.53178  0.162184  
1 1 1 10 8  25 o 10.8012  0.10006   116.719      2.16153  117.383      3.09466  116.088      3.02043  10.8292  0.142884  10.7695  0.14023   
1 1 1 10 8  26 o 3.81754  0.1494    14.592       1.14068  15.1006      1.57001  14.0234      1.66008  3.88147  0.202244  3.73958  0.221961  
1 1 1 10 8  27 o 3.69939  0.141453  13.7047      1.04658  12.7955      1.46112  14.6626      1.4998   3.57178  0.204538  3.82396  0.196106  
1 1 1 10 8  28 o 4.63437  0.116872  21.505       1.08326  21.8957      1.52452  21.1066      1.53951  4.67345  0.163104  4.58813  0.167771  
1 1 1 10 8  29 o 3.07564  0.158899  9.487        0.977434 8.66548      1.38154  10.3103      1.38306  2.93434  0.235409  3.20236  0.215944  
1 1 1 10 8  30 o 1.88463  0.241054  3.58125      0.908594 2.99412      1.28241  4.17304      1.2875   1.67975  0.389059  2.02822  0.317396  
1 1 1 10 8  31 o 1.49336  0.301971  2.34407      0.870367 3.04997      1.23335  1.64378      1.22844  1.69368  0.374107  1.28141  0.417848  
1 1 1 10 8  32 o 4.71616  0.112913  22.3006      1.06503  23.6195      1.51854  21.0237      1.49411  4.84784  0.156621  4.57269  0.163373  
1 1 1 10 8  33 o 1.56169  0.30885   2.57809      0.930335 1.848        1.32927  3.2791       1.30252  1.34133  0.434569  1.747    0.383243  
1 1 1 10 8  34 o 1.83151  0.25717   3.42104      0.942018 3.3373       1.30185  3.51308      1.3648   1.7573   0.381128  1.80147  0.389823  
1 1 1 10 8  35 o 2.06562  0.253654  4.36601      1.04791  4.96364      1.4503   3.71318      1.5158   2.18465  0.331931  1.8355   0.421552  
1 1 1 10 8  36 o 0.662732 0.30902   -0.858135    1.00162  -1.01667     1.3784   -0.680775    1.45796  0.790906 0.366356  0.860111 0.390545  
1 1 1 10 8  37 o 0.770823 0.334126  -0.0414609   0.951659 0.833004     1.33162  -0.95433     1.36055  1.06798  0.422131  0.786371 0.364148  
1 1 1 10 8  38 o 2.03968  0.285524  4.35664      1.16476  5.42157      1.69274  3.39904      1.60518  2.20288  0.398863  1.71029  0.459418  
1 1 1 10 8  39 o 0.738667 0.331473  -0.324855    1.01844  -1.0407      1.42821  0.415725     1.45267  0.789493 0.368467  1.00181  0.422749  
1 1 1 10 8  40 o 1.10519  0.385816  1.28967      1.05144  0.656543     1.48481  1.92649      1.48912  1.04293  0.432997  1.30914  0.458945  
1 1 1 10 8  41 o 1.90473  0.277721  3.8768       1.05796  4.30922      1.50429  3.45358      1.48821  1.91373  0.405411  1.68871  0.437282  
1 1 1 10 8  42 o 0.683662 0.316462  -0.572899    1.02624  -0.122314    1.48299  -0.986958    1.42161  0.884169 0.398229  0.764059 0.359213  
1 1 1 10 8  43 o 1.52916  0.34216   2.80847      1.02008  3.09299      1.44473  2.52562      1.4405   1.51852  0.446415  1.36882  0.452479  
1 1 1 10 8  44 o 0.902591 0.3732    0.764923     1.09598  0.459943     1.54549  1.07345      1.55444  0.924582 0.411777  1.01725  0.433605  
1 1 1 10 8  45 o 0.791777 0.34894   0.38086      1.07364  -0.636496    1.55005  1.31905      1.48852  0.762449 0.364292  0.996658 0.424553  
1 1 1 10 8  46 o 1.04187  0.42954   1.88692      1.44615  1.95998      2.00471  1.80766      2.08818  1.02586  0.462476  1.00812  0.460447  
1 1 1 10 8  47 o 0.73877  0.350043  0.201106     1.38997  0.647101     2.03511  -0.188852    1.90297  0.821844 0.398069  0.75896  0.37169   
1 1 1 10 9  0  o 12.6745  0.120749  160.713      3.06023  160.713      3.06023  160.713      3.06023  12.6759  0.0853643 ?        ?         
1 1 1 10 9  1  o 13.4419  0.0945129 180.722      2.54087  180.251      3.58443  181.197      3.60231  13.4231  0.133518  13.4582  0.133833  
1 1 1 10 9  2  o 8.13537  0.0633561 66.1903      1.03085  65.784       1.45119  66.6041      1.46459  8.10999  0.0894694 8.16038  0.0897376 
1 1 1 10 9  3  f 32.9186  0.238935  1085.06      15.7308  1087.43      22.2943  1082.71      22.1994  32.9322  0.338488  32.8609  0.337778  
1 1 1 10 9  4  o 5.15121  0.0506545 26.5365      0.521863 26.9779      0.72499  26.0619      0.751791 5.19372  0.0697949 5.10476  0.0736363 
1 1 1 10 9  5  o 29.5863  0.195975  876.164      11.5964  870.493      16.3008  881.973      16.5005  29.4767  0.276503  29.6701  0.278066  
1 1 1 10 9  6  o 15.4851  0.104311  239.852      3.23054  242.03       4.60964  237.75       4.52877  15.553   0.148191  15.415   0.146895  
1 1 1 10 9  7  o 8.98566  0.0737631 80.7532      1.32562  82.7668      1.93964  78.9884      1.81589  9.0963   0.106617  8.88635  0.102173  
1 1 1 10 9  8  o 5.71249  0.0533902 32.635       0.609981 31.9472      0.839829 33.4028      0.887425 5.65178  0.0742978 5.77907  0.0767792 
1 1 1 10 9  9  o 16.1878  0.122949  262.153      3.98054  261.585      5.76906  262.669      5.4993   16.1666  0.178425  16.2007  0.169724  
1 1 1 10 9  10 o 13.1276  0.106337  172.387      2.7919   171.227      3.87148  173.644      4.02997  13.0814  0.147976  13.1731  0.152962  
1 1 1 10 9  11 o 7.7446   0.068654  59.9865      1.0634   59.6409      1.45743  60.3799      1.55505  7.72182  0.0943707 7.76939  0.100075  
1 1 1 10 9  12 o 4.31573  0.0636683 18.6275      0.549551 17.8938      0.763247 19.4173      0.79191  4.22966  0.0902255 4.40605  0.0898663 
1 1 1 10 9  13 f 6.82873  0.0655693 46.6364      0.89551  46.2427      1.26004  47.0381      1.27294  6.79949  0.0926573 6.85771  0.092811  
1 1 1 10 9  14 o 10.8155  0.0840045 116.995      1.81711  115.066      2.479    119.234      2.67132  10.7252  0.115569  10.9175  0.122341  
1 1 1 10 9  15 o 9.00103  0.0785194 81.0278      1.41351  81.5281      1.94133  80.4633      2.06215  9.02832  0.107513  8.96903  0.114959  
1 1 1 10 9  16 o 3.04797  0.0992574 9.2915       0.605066 8.84123      0.836254 9.78622      0.876552 2.97296  0.140643  3.12781  0.140122  
1 1 1 10 9  17 o 25.3365  0.175785  642.233      8.9076   639.413      12.6908  644.971      12.5058  25.2746  0.251057  25.3847  0.246325  
1 1 1 10 9  18 o 10.6588  0.0845076 113.622      1.8015   112.762      2.56614  114.459      2.52966  10.6177  0.120842  10.6974  0.118237  
1 1 1 10 9  19 o 10.822   0.0865217 117.131      1.87268  115.766      2.60319  118.596      2.696    10.7581  0.120987  10.8887  0.123798  
1 1 1 10 9  20 o 7.70596  0.0787217 59.3892      1.21325  59.3106      1.71918  59.4673      1.71243  7.70036  0.11163   7.71053  0.111045  
1 1 1 10 9  21 o 6.64597  0.0845621 44.1758      1.124    43.6907      1.59922  44.6494      1.5801   6.60884  0.120991  6.68101  0.118253  
1 1 1 10 9  22 o 15.5634  0.12806   242.316      3.98607  239.345      5.56299  245.451      5.71437  15.4645  0.179863  15.6604  0.182447  
1 1 1 10 9  23 o 10.9749  0.0981394 120.481      2.15413  119.773      2.99182  121.244      3.10409  10.9411  0.136724  11.0079  0.140994  
1 1 1 10 9  24 o 1.63235  0.341163  2.77676      1.07762  4.79253      1.5215   0.747765     1.52648  2.18441  0.348264  1.14811  0.452545  
1 1 1 10 9  25 o 0.877681 0.353423  0.344234     0.953204 0.967933     1.37373  -0.234896    1.32373  1.15311  0.435594  0.902355 0.392645  
1 1 1 10 9  26 o 6.74713  0.104407  45.5528      1.4089   46.8325      2.00747  44.3105      1.97784  6.83912  0.146763  6.65231  0.148658  
1 1 1 10 9  27 o 2.89932  0.175531  8.42496      1.01784  7.96556      1.44199  8.88113      1.43691  2.81553  0.256079  2.97373  0.241601  
1 1 1 10 9  28 f 2.46486  0.193018  6.09802      0.951524 7.49507      1.35004  4.71896      1.34132  2.7295   0.247305  2.16209  0.310191  
1 1 1 10 9  29 o 2.43108  0.196193  5.93716      0.953918 5.57872      1.34685  6.29795      1.35125  2.35045  0.286508  2.4987   0.270391  
1 1 1 10 9  30 o 1.27237  0.338455  1.70411      0.87652  2.07232      1.23014  1.32437      1.24925  1.40817  0.411278  1.20073  0.420414  
1 1 1 10 9  31 o 2.41095  0.1829    5.84738      0.881925 5.97602      1.25459  5.72172      1.24     2.43011  0.258135  2.37756  0.260771  
1 1 1 10 9  32 o 4.94672  0.10903   24.5309      1.07868  23.9833      1.51974  25.0868      1.53129  4.88501  0.155552  4.99651  0.153236  
1 1 1 10 9  33 o 0.897592 0.353123  0.507022     0.927785 0.825384     1.31722  0.193574     1.30701  1.08529  0.422182  0.955266 0.401949  
1 1 1 10 9  34 o 1.98407  0.23147   4.00106      0.918506 5.03979      1.31129  3.00048      1.28698  2.21543  0.295944  1.6618   0.392925  
1 1 1 10 9  35 o 1.53578  0.339168  2.54565      1.0139   2.21708      1.41368  2.89369      1.45495  1.43255  0.446103  1.61729  0.438726  
1 1 1 10 9  36 o 0.953978 0.370028  0.663527     1.01036  0.520121     1.40868  0.815456     1.44995  1.03414  0.424737  1.10209  0.438946  
1 1 1 10 9  37 o 0.73654  0.327249  -0.266503    0.970571 0.0653647    1.36812  -0.602744    1.37711  0.932843 0.402434  0.836099 0.379621  
1 1 1 10 9  38 o 0.811646 0.356374  -0.12129     1.11079  1.25175      1.60747  -1.3761      1.5367   1.19916  0.466401  0.794027 0.373351  
1 1 1 10 9  39 o 0.710622 0.32273   -0.443233    0.996644 -0.544379    1.40673  -0.341295    1.41222  0.842082 0.382695  0.871065 0.390622  
1 1 1 10 9  40 o 1.36694  0.378228  2.14336      1.0683   2.61868      1.49008  1.64064      1.53243  1.48297  0.457235  1.24739  0.462398  
1 1 1 10 9  41 f 1.55405  0.343748  2.7611       1.03996  2.77812      1.46455  2.74379      1.47696  1.50491  0.451177  1.49441  0.454107  
1 1 1 10 9  42 o 0.721972 0.327253  -0.28376     1.01739  -2.11307     1.43241  1.57865      1.44531  0.665724 0.325196  1.17165  0.445563  
1 1 1 10 9  43 o 0.691434 0.317833  -0.407871    1.01288  -1.19876     1.4338   0.379987     1.43105  0.732364 0.350024  0.922797 0.404842  
1 1 1 10 9  44 o 1.19231  0.393758  1.91123      1.09088  2.53539      1.53747  1.27844      1.54805  1.30212  0.465341  1.04911  0.439249  
1 1 1 10 9  45 o 0.814674 0.357621  0.487531     1.11805  -0.00142764  1.5691   0.99182      1.5935   0.823963 0.385197  0.947676 0.420405  
1 1 1 10 9  46 o 0.707908 0.339436  -0.458901    1.37633  -4.12753     1.87165  3.8607       2.03093  0.598071 0.303802  1.25859  0.512291  
1 1 1 10 9  47 o 1.17437  0.44242   2.95595      1.41412  1.13737      2.01439  4.72306      1.98567  0.861788 0.412599  1.29548  0.514395  
1 1 1 10 10 0  o 23.0602  0.307294  532.634      14.1668  532.634      14.1668  532.634      14.1668  23.0695  0.217159  ?        ?         
1 1 1 10 10 1  o 43.3304  0.423882  1881.96      36.7261  1881.96      36.7261  1881.96      36.7261  43.3558  0.299522  ?        ?         
1 1 1 10 10 2  o 5.39611  0.0754244 29.137       0.813639 29.137       0.813639 29.137       0.813639 5.39699  0.0533126 ?        ?         
1 1 1 10 10 3  o 22.0024  0.227131  484.554      9.99242  484.554      9.99242  484.554      9.99242  22.0074  0.160549  ?        ?         
1 1 1 10 10 4  o 22.0981  0.228134  488.79       10.0802  488.79       10.0802  488.79       10.0802  22.1033  0.161258  ?        ?         
1 1 1 10 10 5  o 9.80581  0.115892  96.2101      2.27211  96.2101      2.27211  96.2101      2.27211  9.80724  0.0819228 ?        ?         
1 1 1 10 10 6  o 12.5242  0.126609  156.936      3.17062  156.936      3.17062  156.936      3.17062  12.5258  0.0895042 ?        ?         
1 1 1 10 10 7  o 16.6653  0.173895  277.932      5.79462  277.932      5.79462  277.932      5.79462  16.6683  0.122926  ?        ?         
1 1 1 10 10 8  o 16.3747  0.156668  268.291      5.12972  268.291      5.12972  268.291      5.12972  16.3771  0.110753  ?        ?         
1 1 1 10 10 9  f 18.0935  0.204364  327.688      7.39321  327.688      7.39321  327.688      7.39321  18.0978  0.144452  ?        ?         
1 1 1 10 10 10 o 27.255   0.288946  743.958      15.7465  743.958      15.7465  743.958      15.7465  27.2653  0.204213  ?        ?         
1 1 1 10 10 11 o 8.94838  0.106515  80.1195      1.90566  80.1195      1.90566  80.1195      1.90566  8.94967  0.0752943 ?        ?         
1 1 1 10 10 12 o 5.52979  0.0875224 30.6044      0.967414 30.6044      0.967414 30.6044      0.967414 5.53096  0.0618571 ?        ?         
1 1 1 10 10 13 o 9.43418  0.116372  89.0587      2.195    89.0587      2.195    89.0587      2.195    9.43563  0.0822609 ?        ?         
1 1 1 10 10 14 o 16.791   0.170274  282.112      5.71683  282.112      5.71683  282.112      5.71683  16.7936  0.12037   ?        ?         
1 1 1 10 10 15 o 18.0606  0.178418  326.372      6.44326  326.372      6.44326  326.372      6.44326  18.0632  0.126129  ?        ?         
1 1 1 10 10 16 f 17.9384  0.182399  321.966      6.54237  321.966      6.54237  321.966      6.54237  17.9409  0.128943  ?        ?         
1 1 1 10 10 17 o 28.7247  0.291275  825.88       16.7297  825.88       16.7297  825.88       16.7297  28.7313  0.205891  ?        ?         
1 1 1 10 10 18 o 6.03861  0.115177  36.5082      1.38987  36.5082      1.38987  36.5082      1.38987  6.04041  0.0813845 ?        ?         
1 1 1 10 10 19 o 3.24451  0.145954  10.5926      0.942734 10.5926      0.942734 10.5926      0.942734 3.2496   0.102802  ?        ?         
1 1 1 10 10 20 o 10.4568  0.122343  109.406      2.55785  109.406      2.55785  109.406      2.55785  10.4583  0.0864842 ?        ?         
1 1 1 10 10 21 o 4.43837  0.155489  19.7768      1.3764   19.7768      1.3764   19.7768      1.3764   4.44275  0.109684  ?        ?         
1 1 1 10 10 22 o 12.2909  0.143225  151.168      3.51967  151.168      3.51967  151.168      3.51967  12.293   0.101243  ?        ?         
1 1 1 10 10 23 o 13.7421  0.172913  189.019      4.75069  189.019      4.75069  189.019      4.75069  13.7452  0.122218  ?        ?         
1 1 1 10 10 24 o 1.41923  0.541841  2.74619      1.4426   2.74619      1.4426   2.74619      1.4426   1.52916  0.386217  ?        ?         
1 1 1 10 10 25 o 7.56443  0.134278  57.2999      2.03002  57.2999      2.03002  57.2999      2.03002  7.56705  0.0948818 ?        ?         
1 1 1 10 10 26 o 4.56697  0.175855  20.9693      1.60084  20.9693      1.60084  20.9693      1.60084  4.57312  0.123969  ?        ?         
1 1 1 10 10 27 o 1.41462  0.524961  2.70323      1.37446  2.70323      1.37446  2.70323      1.37446  1.52521  0.367789  ?        ?         
1 1 1 10 10 28 o 2.81348  0.23479   8.10173      1.29999  8.10173      1.29999  8.10173      1.29999  2.83034  0.16364   ?        ?         
1 1 1 10 10 29 o 2.82437  0.244337  8.18307      1.35643  8.18307      1.35643  8.18307      1.35643  2.84296  0.170082  ?        ?         
1 1 1 10 10 30 o 4.53122  0.160722  20.6487      1.45238  20.6487      1.45238  20.6487      1.45238  4.53765  0.113322  ?        ?         
1 1 1 10 10 31 o 0.948522 0.49575   1.35021      1.21922  1.35021      1.21922  1.35021      1.21922  0.960998 0.427112  ?        ?         
1 1 1 10 10 32 o 2.41951  0.276174  6.12446      1.2968   6.12446      1.2968   6.12446      1.2968   2.44842  0.189885  ?        ?         
1 1 1 10 10 33 o 0.573436 0.392009  -0.632849    1.33876  -0.632849    1.33876  -0.632849    1.33876  0.458301 0.318175  ?        ?         
1 1 1 10 10 34 o 2.67877  0.248506  7.42586      1.30504  7.42586      1.30504  7.42586      1.30504  2.70253  0.172336  ?        ?         
1 1 1 10 10 35 o 3.10905  0.251792  9.96182      1.54204  9.96182      1.54204  9.96182      1.54204  3.13308  0.175267  ?        ?         
1 1 1 10 10 36 o 0.535935 0.372783  -0.983991    1.35384  -0.983991    1.35384  -0.983991    1.35384  0.420361 0.297866  ?        ?         
1 1 1 10 10 37 o 0.739522 0.460806  0.512267     1.3423   0.512267     1.3423   0.512267     1.3423   0.664356 0.400779  ?        ?         
1 1 1 10 10 38 o 1.11755  0.570054  2.02785      1.58787  2.02785      1.58787  2.02785      1.58787  1.17367  0.484577  ?        ?         
1 1 1 10 10 39 o 0.691783 0.450107  0.151909     1.45303  0.151909     1.45303  0.151909     1.45303  0.59703  0.384807  ?        ?         
1 1 1 10 10 40 o 0.811151 0.496868  0.812083     1.50885  0.812083     1.50885  0.812083     1.50885  0.752708 0.438035  ?        ?         
1 1 1 10 10 41 o 0.614931 0.417044  -0.380892    1.47082  -0.380892    1.47082  -0.380892    1.47082  0.509204 0.34731   ?        ?         
1 1 1 10 10 42 f 0.91594  0.515884  1.44465      1.41995  1.44465      1.41995  1.44465      1.41995  0.934189 0.457462  ?        ?         
1 1 1 10 10 43 o 0.952376 0.526281  1.66239      1.44002  1.66239      1.44002  1.66239      1.44002  1.00039  0.463557  ?        ?         
1 1 1 10 10 44 o 0.997304 0.548859  1.97633      1.55737  1.97633      1.55737  1.97633      1.55737  1.08033  0.482721  ?        ?         
1 1 1 10 10 45 o 0.736879 0.48015   0.836941     1.66066  0.836941     1.66066  0.836941     1.66066  0.70094  0.433873  ?        ?         
1 1 1 10 10 46 f 0.628222 0.442092  -0.186551    2.02211  -0.186551    2.02211  -0.186551    2.02211  0.558348 0.387924  ?        ?         
1 1 1 10 10 47 o 0.780679 0.515618  1.72354      1.99655  1.72354      1.99655  1.72354      1.99655  0.819201 0.491505  ?        ?         
1 1 1 11 0  0  o 5.80247  0.0837476 33.6918      0.971431 33.6918      0.971431 33.6918      0.971431 5.80347  0.0591945 ?        ?         
1 1 1 11 0  1  o 21.3336  0.20404   455.414      8.70405  455.414      8.70405  455.414      8.70405  21.337   0.144241  ?        ?         
1 1 1 11 0  2  o 20.4319  0.195739  417.721      7.99701  417.721      7.99701  417.721      7.99701  20.435   0.138373  ?        ?         
1 1 1 11 0  3  o 17.5004  0.164734  306.423      5.76469  306.423      5.76469  306.423      5.76469  17.5027  0.116458  ?        ?         
1 1 1 11 0  4  o 12.7196  0.121315  161.855      3.08551  161.855      3.08551  161.855      3.08551  12.7209  0.0857649 ?        ?         
1 1 1 11 0  5  o 24.0883  0.230659  580.723      11.1101  580.723      11.1101  580.723      11.1101  24.0932  0.16305   ?        ?         
1 1 1 11 0  6  o 29.9482  0.286495  897.935      17.1565  897.935      17.1565  897.935      17.1565  29.9568  0.202503  ?        ?         
1 1 1 11 0  7  f 23.91    0.224446  572.163      10.7309  572.163      10.7309  572.163      10.7309  23.9149  0.158659  ?        ?         
1 1 1 11 0  8  o 27.5464  0.258418  759.602      14.2341  759.602      14.2341  759.602      14.2341  27.5536  0.182663  ?        ?         
1 1 1 11 0  9  o 17.3643  0.165164  301.703      5.73475  301.703      5.73475  301.703      5.73475  17.3669  0.116759  ?        ?         
1 1 1 11 0  10 o 6.18283  0.0917649 38.2568      1.13417  38.2568      1.13417  38.2568      1.13417  6.18402  0.064859  ?        ?         
1 1 1 11 0  11 o 18.2435  0.173843  333.049      6.3417   333.049      6.3417   333.049      6.3417   18.2465  0.122892  ?        ?         
1 1 1 11 0  12 o 7.69051  0.108134  59.1885      1.66246  59.1885      1.66246  59.1885      1.66246  7.69196  0.0764305 ?        ?         
1 1 1 11 0  13 o 1.80609  0.199511  3.38148      0.700609 3.38148      0.700609 3.38148      0.700609 1.82322  0.137664  ?        ?         
1 1 1 11 0  14 o 8.90177  0.106777  79.2871      1.90039  79.2871      1.90039  79.2871      1.90039  8.90305  0.0754796 ?        ?         
1 1 1 11 0  15 o 14.4782  0.165865  209.768      4.80142  209.768      4.80142  209.768      4.80142  14.4808  0.117246  ?        ?         
1 1 1 11 0  16 o 19.5366  0.196225  381.942      7.66536  381.942      7.66536  381.942      7.66536  19.5399  0.138712  ?        ?         
1 1 1 11 0  17 o 15.3015  0.155086  234.255      4.74501  234.255      4.74501  234.255      4.74501  15.3035  0.109636  ?        ?         
1 1 1 11 0  18 o 3.26308  0.137432  10.7057      0.893289 10.7057      0.893289 10.7057      0.893289 3.26755  0.0968477 ?        ?         
1 1 1 11 0  19 o 21.9205  0.210836  480.799      9.24133  480.799      9.24133  480.799      9.24133  21.9237  0.149046  ?        ?         
1 1 1 11 0  20 o 1.89809  0.273194  3.82254      0.974444 3.82254      0.974444 3.82254      0.974444 1.92945  0.182297  ?        ?         
1 1 1 11 0  21 o 2.8279   0.192727  8.11084      1.0784   8.11084      1.0784   8.11084      1.0784   2.8381   0.135038  ?        ?         
1 1 1 11 0  22 o 8.43071  0.12498   71.1357      2.10629  71.1357      2.10629  71.1357      2.10629  8.43245  0.0883338 ?        ?         
1 1 1 11 0  23 o 11.204   0.151434  125.634      3.39194  125.634      3.39194  125.634      3.39194  11.2063  0.107036  ?        ?         
1 1 1 11 0  24 o 12.4795  0.159791  155.872      3.98674  155.872      3.98674  155.872      3.98674  12.4822  0.112944  ?        ?         
1 1 1 11 0  25 o 1.48965  0.571567  3.033        1.6021   3.033        1.6021   3.033        1.6021   1.60518  0.408787  ?        ?         
1 1 1 11 0  26 o 5.25885  0.161727  27.7512      1.69735  27.7512      1.69735  27.7512      1.69735  5.26341  0.114136  ?        ?         
1 1 1 11 0  27 o 6.81257  0.151893  46.5124      2.06724  46.5124      2.06724  46.5124      2.06724  6.81629  0.107285  ?        ?         
1 1 1 11 0  28 o 10.2352  0.144018  104.903      2.94678  104.903      2.94678  104.903      2.94678  10.2387  0.101778  ?        ?         
1 1 1 11 0  29 o 5.24759  0.155256  27.6439      1.62621  27.6439      1.62621  27.6439      1.62621  5.25269  0.109566  ?        ?         
1 1 1 11 0  30 o 1.71397  0.455675  3.51958      1.34642  3.51958      1.34642  3.51958      1.34642  1.80859  0.284202  ?        ?         
1 1 1 11 0  31 o 7.55118  0.136839  57.1572      2.06506  57.1572      2.06506  57.1572      2.06506  7.55568  0.0966663 ?        ?         
1 1 1 11 0  32 o 7.73643  0.138234  60.017       2.13733  60.017       2.13733  60.017       2.13733  7.74175  0.0976435 ?        ?         
1 1 1 11 0  33 f 3.19597  0.219626  10.4112      1.38862  10.4112      1.38862  10.4112      1.38862  3.21157  0.153671  ?        ?         
1 1 1 11 0  34 o 0.472048 0.339828  -1.87686     1.39101  -1.87686     1.39101  -1.87686     1.39101  0.357105 0.261157  ?        ?         
1 1 1 11 0  35 o 2.04415  0.392315  4.69462      1.43108  4.69462      1.43108  4.69462      1.43108  2.11484  0.246883  ?        ?         
1 1 1 11 0  36 o 3.17097  0.252043  10.3551      1.57521  10.3551      1.57521  10.3551      1.57521  3.19484  0.17553   ?        ?         
1 1 1 11 0  37 o 5.8011   0.200582  34.0513      2.32088  34.0513      2.32088  34.0513      2.32088  5.81816  0.141222  ?        ?         
1 1 1 11 0  38 o 1.08945  0.541694  1.88746      1.41631  1.88746      1.41631  1.88746      1.41631  1.1487   0.454606  ?        ?         
1 1 1 11 0  39 o 1.9494   0.449747  4.5324       1.52406  4.5324       1.52406  4.5324       1.52406  2.05504  0.272942  ?        ?         
1 1 1 11 0  40 o 0.70867  0.457231  0.26877      1.45619  0.26877      1.45619  0.26877      1.45619  0.619713 0.393281  ?        ?         
1 1 1 11 0  41 o 0.482343 0.347022  -1.77885     1.44438  -1.77885     1.44438  -1.77885     1.44438  0.370392 0.269835  ?        ?         
1 1 1 11 0  42 o 0.620308 0.418276  -0.263253    1.44716  -0.263253    1.44716  -0.263253    1.44716  0.518812 0.350419  ?        ?         
1 1 1 11 0  43 o 0.642528 0.427423  0.0270744    1.40691  0.0270744    1.40691  0.0270744    1.40691  0.552757 0.364662  ?        ?         
1 1 1 11 0  44 o 0.958835 0.537059  1.74859      1.52756  1.74859      1.52756  1.74859      1.52756  1.01002  0.476811  ?        ?         
1 1 1 11 0  45 o 0.612097 0.421606  -0.305327    1.61032  -0.305327    1.61032  -0.305327    1.61032  0.521285 0.357747  ?        ?         
1 1 1 11 0  46 o 1.93706  0.544589  5.68927      1.82438  5.68927      1.82438  5.68927      1.82438  2.19876  0.311158  ?        ?         
1 1 1 11 0  47 o 0.701449 0.504208  0.294064     3.03081  0.294064     3.03081  0.294064     3.03081  0.656846 0.460177  ?        ?         
1 1 1 11 0  48 o 0.753706 0.535786  2.75932      3.16713  2.75932      3.16713  2.75932      3.16713  0.810651 0.539262  ?        ?         
1 1 1 11 1  0  o 2.66001  0.0528863 7.08423      0.281105 7.08423      0.281105 7.08423      0.281105 2.66082  0.0373682 ?        ?         
1 1 1 11 1  1  o 14.8496  0.10013   220.551      2.97379  220.765      4.16552  220.329      4.24681  14.8555  0.140201  14.8407  0.14308   
1 1 1 11 1  2  o 28.7254  0.189769  825.694      10.9024  824.546      15.4039  826.846      15.4327  28.6955  0.268403  28.7355  0.26853   
1 1 1 11 1  3  o 15.1616  0.103427  229.922      3.13626  230.43       4.35197  229.374      4.52369  15.1769  0.143375  15.1418  0.149377  
1 1 1 11 1  4  o 18.504   0.125762  342.506      4.65422  344.674      6.47947  340.195      6.68969  18.5597  0.174558  18.4382  0.181408  
1 1 1 11 1  5  o 14.0347  0.0953617 197.009      2.67674  195.786      3.8038   198.21       3.76743  13.9896  0.135951  14.076   0.133824  
1 1 1 11 1  6  o 28.2825  0.187152  800.509      10.5862  798.833      14.9385  802.201      15.004   28.2418  0.264476  28.3012  0.265078  
1 1 1 11 1  7  o 4.07706  0.0451706 16.6232      0.368327 16.4568      0.522273 16.7878      0.519523 4.0565   0.0643748 4.09711  0.0634012 
1 1 1 11 1  8  o 15.6708  0.107875  245.641      3.38097  247.694      4.81901  243.651      4.74469  15.7338  0.153142  15.605   0.152025  
1 1 1 11 1  9  o 20.1653  0.134732  406.825      5.43383  408.665      7.71786  405.016      7.65177  20.2062  0.190977  20.1159  0.190192  
1 1 1 11 1  10 o 4.17069  0.062159  17.3964      0.518491 17.3648      0.732808 17.428       0.733708 4.16669  0.0879364 4.17427  0.0878847 
1 1 1 11 1  11 o 13.3555  0.0923199 178.411      2.46596  178.086      3.48088  178.739      3.49396  13.3418  0.13045   13.3663  0.130701  
1 1 1 11 1  12 o 11.0314  0.0972354 121.725      2.14529  121.426      3.02991  122.025      3.03791  11.0164  0.137517  11.0436  0.137542  
1 1 1 11 1  13 o 22.4433  0.169138  504.083      7.592    509.258      10.8404  499.103      10.6359  22.5493  0.240372  22.3237  0.23822   
1 1 1 11 1  14 o 2.64528  0.0902714 6.99892      0.477586 6.77272      0.660191 7.24726      0.69173  2.60192  0.126866  2.69151  0.128502  
1 1 1 11 1  15 o 22.4908  0.165708  506.161      7.45377  507.773      10.8467  504.72       10.2602  22.5182  0.240843  22.4519  0.228492  
1 1 1 11 1  16 o 5.08747  0.0710099 25.885       0.722522 25.7769      1.03573  25.9874      1.00842  5.07656  0.102011  5.09728  0.0989175 
1 1 1 11 1  17 f 6.68929  0.0726539 44.7504      0.972006 46.3929      1.42837  43.3338      1.32652  6.81062  0.104864  6.58229  0.100764  
1 1 1 11 1  18 o 15.132   0.108213  229.018      3.27496  227.913      4.56465  230.19       4.70136  15.0942  0.151205  15.1693  0.154963  
1 1 1 11 1  19 o 30.7265  0.205338  944.714      12.6187  949.97       17.9337  939.559      17.7585  30.8016  0.291116  30.6325  0.289864  
1 1 1 11 1  20 f 17.1685  0.12176   294.829      4.18088  295.129      5.98361  294.543      5.84416  17.1749  0.174197  17.158   0.170304  
1 1 1 11 1  21 o 6.7903   0.0819    46.1145      1.11225  47.9189      1.58873  44.38        1.55765  6.92142  0.114769  6.6609   0.116925  
1 1 1 11 1  22 o 14.4904  0.115045  210.031      3.33407  211.037      4.63236  208.949      4.80242  14.5231  0.159483  14.4507  0.166165  
1 1 1 11 1  23 o 11.9487  0.106645  142.813      2.54855  141.872      3.49727  143.879      3.72157  11.9078  0.146848  11.9913  0.155178  
1 1 1 11 1  24 o 6.88064  0.105566  47.3587      1.45272  48.7324      2.03112  45.9201      2.07861  6.97867  0.145523  6.77408  0.153424  
1 1 1 11 1  25 o 10.0739  0.108389  101.528      2.18379  100.714      3.05865  102.374      3.11893  10.0313  0.152456  10.1135  0.154197  
1 1 1 11 1  26 o 6.52017  0.105501  42.5359      1.37577  41.1115      2.00375  43.8062      1.89228  6.40797  0.156349  6.6153   0.143023  
1 1 1 11 1  27 o 7.74101  0.100835  59.9603      1.56112  56.7461      2.21333  63.1425      2.20224  7.52802  0.147006  7.94155  0.138653  
1 1 1 11 1  28 o 7.95622  0.0977839 63.3483      1.55598  62.2162      2.18169  64.5202      2.21979  7.88183  0.1384    8.02645  0.138279  
1 1 1 11 1  29 o 3.28221  0.149851  10.7983      0.983683 12.3624      1.39443  9.24887      1.38787  3.5088   0.198705  3.03292  0.2288    
1 1 1 11 1  30 o 4.29328  0.121096  18.4666      1.0398   18.1898      1.4641   18.7482      1.47698  4.25694  0.171966  4.32189  0.170872  
1 1 1 11 1  31 o 1.59941  0.296524  2.67326      0.912931 3.32241      1.29102  2.024        1.29113  1.77078  0.375904  1.39736  0.424572  
1 1 1 11 1  32 o 4.35251  0.12059   18.9967      1.04974  18.3438      1.46604  19.6837      1.5038   4.27102  0.171626  4.4245   0.16994   
1 1 1 11 1  33 o 1.67006  0.26666   2.83316      0.890678 2.8949       1.26529  2.77253      1.254    1.64222  0.390436  1.60666  0.392966  
1 1 1 11 1  34 o 2.28685  0.219777  5.30002      1.00519  3.32321      1.40558  7.36935      1.43809  1.75013  0.408591  2.68823  0.267479  
1 1 1 11 1  35 o 1.06191  0.373182  1.06386      0.985078 -0.298291    1.3874   2.44867      1.39889  0.894799 0.395201  1.49991  0.438745  
1 1 1 11 1  36 o 3.25438  0.166943  10.6974      1.08659  10.7536      1.50957  10.637       1.56528  3.24748  0.232422  3.22707  0.242524  
1 1 1 11 1  37 o 5.38186  0.138199  29.1977      1.48754  26.476       2.06622  32.1261      2.14328  5.10119  0.202524  5.62474  0.190522  
1 1 1 11 1  38 f 0.829112 0.347672  0.21371      0.972311 0.8255       1.37635  -0.395776    1.37376  1.073    0.427566  0.861093 0.38573   
1 1 1 11 1  39 o 1.94641  0.273174  3.96321      1.06342  3.30304      1.46364  4.70136      1.54768  1.69057  0.43139   2.04629  0.392155  
1 1 1 11 1  40 o 2.24689  0.238846  5.26387      1.07332  6.28266      1.52302  4.25864      1.51285  2.41872  0.31484   1.92066  0.406327  
1 1 1 11 1  41 o 1.54217  0.345494  2.70696      1.03901  3.39668      1.47755  2.03229      1.46134  1.67958  0.436086  1.32118  0.455454  
1 1 1 11 1  42 o 1.81093  0.290594  3.58003      1.05249  3.78397      1.48881  3.37628      1.48809  1.7489   0.428441  1.63876  0.443312  
1 1 1 11 1  43 o 3.36823  0.164793  11.7468      1.11012  11.0311      1.57336  12.4563      1.56656  3.19699  0.246069  3.41364  0.229456  
1 1 1 11 1  44 o 0.647434 0.306397  -0.815537    1.0621   -0.576027    1.50255  -1.05471     1.50151  0.799121 0.374395  0.751763 0.359032  
1 1 1 11 1  45 o 1.03204  0.397644  1.40741      1.16275  0.6509       1.6789   2.10474      1.6119   0.943493 0.424401  1.16954  0.463753  
1 1 1 11 1  46 o 0.617381 0.301538  -1.29409     1.2304   -2.17846     1.74834  -0.426313    1.73187  0.677582 0.336482  0.794406 0.380876  
1 1 1 11 1  47 o 0.884011 0.419631  1.40551      2.00574  0.501698     2.63156  2.65839      3.09836  0.841185 0.416833  0.942805 0.464362  
1 1 1 11 1  48 o 0.67183  0.338841  -1.02613     2.14109  -0.290146    3.09146  -1.7046      2.96823  ?        ?         ?        ?         
1 1 1 11 2  0  o 17.2148  0.161897  296.5        5.57295  296.5        5.57295  296.5        5.57295  17.217   0.114453  ?        ?         
1 1 1 11 2  1  o 20.2898  0.135975  411.815      5.51779  404.466      7.59632  420.025      8.02827  20.1045  0.18892   20.4871  0.195935  
1 1 1 11 2  2  o 12.4367  0.088097  154.694      2.19127  154.828      3.00022  154.54       3.20806  12.4412  0.120575  12.4294  0.129051  
1 1 1 11 2  3  o 48.1241  0.321964  2320.62      30.9885  2326.96      43.4722  2314.08      44.1851  48.141   0.451509  48.0038  0.460225  
1 1 1 11 2  4  o 24.0009  0.162567  576.351      7.80352  577.688      11.0602  575.026      11.0117  24.022   0.230209  23.9666  0.229729  
1 1 1 11 2  5  o 23.3138  0.157998  543.822      7.36706  545.855      10.2313  541.633      10.6165  23.3515  0.219072  23.26    0.228215  
1 1 1 11 2  6  o 21.6772  0.144233  470.116      6.2531   465.352      8.75803  475.07       8.93095  21.562   0.203089  21.7858  0.204972  
1 1 1 11 2  7  o 14.642   0.0988242 214.436      2.89396  214.287      4.08917  214.585      4.0962   14.6352  0.139703  14.6454  0.139846  
1 1 1 11 2  8  o 23.7634  0.158072  565.043      7.51269  563.558      10.5994  566.541      10.6499  23.7249  0.223381  23.7876  0.223853  
1 1 1 11 2  9  o 6.96919  0.059306  48.5739      0.826629 49.6869      1.18735  47.5271      1.15153  7.04826  0.08423   6.89338  0.0835245 
1 1 1 11 2  10 o 13.9132  0.114586  193.645      3.18853  196.173      4.62892  191.362      4.39844  14.0012  0.165305  13.8288  0.159032  
1 1 1 11 2  11 o 5.88316  0.0635104 34.6154      0.747283 32.693       1.06315  36.4926      1.0506   5.71711  0.0929798 6.04029  0.0869658 
1 1 1 11 2  12 o 5.95596  0.0714798 35.4785      0.851462 33.6466      1.14738  37.7239      1.27027  5.79977  0.0989162 6.14106  0.103424  
1 1 1 11 2  13 o 31.4453  0.226193  990.134      14.2254  991.271      19.8938  988.945      20.3493  31.4429  0.316349  31.4039  0.323993  
1 1 1 11 2  14 o 3.45685  0.0769721 11.9516      0.532162 11.9443      0.739443 11.9594      0.766466 3.45555  0.106993  3.45771  0.110834  
1 1 1 11 2  15 o 13.4842  0.101063  181.866      2.7255   182.666      3.82205  181.039      3.88767  13.5122  0.14143   13.4517  0.144505  
1 1 1 11 2  16 o 17.6706  0.123801  312.344      4.3753   309.392      6.27312  315.14       6.1055   17.5841  0.178375  17.747   0.172015  
1 1 1 11 2  17 o 12.8434  0.0953155 164.977      2.44835  167.84       3.58356  162.471      3.35292  12.9533  0.138326  12.7446  0.131543  
1 1 1 11 2  18 f 19.6789  0.135993  387.363      5.35236  388.289      7.66379  386.48       7.47838  19.6995  0.194518  19.6538  0.190253  
1 1 1 11 2  19 o 16.1243  0.114731  260.046      3.69991  263.526      5.24486  256.598      5.22016  16.2302  0.161577  16.0154  0.162973  
1 1 1 11 2  20 o 11.7559  0.0960265 138.223      2.25776  136.935      3.2072   139.489      3.17889  11.7     0.13706   11.8087  0.1346    
1 1 1 11 2  21 o 22.2631  0.153634  495.887      6.84075  500.052      9.84971  492.005      9.5079   22.3507  0.220344  22.1708  0.214424  
1 1 1 11 2  22 o 2.81559  0.160832  7.932        0.905675 7.7507       1.28443  8.11128      1.27724  2.78238  0.230815  2.84646  0.224356  
1 1 1 11 2  23 o 8.07399  0.0948081 65.2041      1.53096  65.011       2.1295   65.4107      2.20255  8.06114  0.132084  8.08577  0.136199  
1 1 1 11 2  24 o 4.61716  0.12778   21.3286      1.17996  22.5839      1.69713  20.154       1.64168  4.74998  0.178646  4.48707  0.182935  
1 1 1 11 2  25 o 16.9793  0.141735  288.519      4.81311  294.627      6.82984  282.493      6.78391  17.1515  0.199103  16.7943  0.201971  
1 1 1 11 2  26 o 11.0227  0.106751  121.569      2.35337  120.782      3.39324  122.298      3.2667   10.9835  0.154469  11.0528  0.147777  
1 1 1 11 2  27 o 8.96216  0.100286  80.3702      1.79755  78.1641      2.60716  82.3692      2.48172  8.83504  0.147547  9.07045  0.136802  
1 1 1 11 2  28 o 9.18224  0.097986  84.3774      1.79946  83.6435      2.50409  85.1611      2.58762  9.13884  0.137002  9.22104  0.140311  
1 1 1 11 2  29 o 4.57251  0.114968  20.9372      1.05138  22.5467      1.49991  19.3824      1.47419  4.74207  0.158149  4.39601  0.167673  
1 1 1 11 2  30 o 2.36906  0.197877  5.64089      0.937563 5.304        1.32394  5.97981      1.3279   2.29067  0.288985  2.43365  0.27282   
1 1 1 11 2  31 o 2.26402  0.203188  5.15878      0.920043 4.94202      1.29938  5.37672      1.3029   2.20805  0.294236  2.30431  0.282711  
1 1 1 11 2  32 o 3.08976  0.15867   9.59293      0.980506 9.52242      1.37927  9.66498      1.39414  3.07097  0.224566  3.09377  0.225313  
1 1 1 11 2  33 o 0.912111 0.346071  0.621969     0.870263 -0.35903     1.2414   1.56998      1.22035  0.840553 0.372203  1.2545   0.416469  
1 1 1 11 2  34 o 3.75795  0.142798  14.2032      1.07325  12.834       1.50432  15.6227      1.53167  3.56037  0.211259  3.93181  0.19478   
1 1 1 11 2  35 o 2.07743  0.238489  4.3968       0.990891 2.74987      1.39465  6.07567      1.40811  1.58269  0.429627  2.43102  0.289614  
1 1 1 11 2  36 o 2.50755  0.207757  6.38683      1.04192  6.40188      1.46751  6.37153      1.47957  2.49072  0.294594  2.48396  0.297824  
1 1 1 11 2  37 o 3.3022   0.186989  11.0694      1.23495  9.40084      1.67729  13.0447      1.82501  3.01577  0.278086  3.56125  0.256231  
1 1 1 11 2  38 o 0.952409 0.366778  0.717004     0.98898  0.195249     1.3848   1.26013      1.41288  0.956111 0.408455  1.17303  0.442158  
1 1 1 11 2  39 o 0.917811 0.371036  0.5169       1.05639  -0.476648    1.44913  1.64369      1.54324  0.867802 0.392103  1.2674   0.464886  
1 1 1 11 2  40 o 1.97268  0.270923  4.10557      1.06889  3.14859      1.50395  5.08237      1.51945  1.6262   0.448246  2.15651  0.352293  
1 1 1 11 2  41 o 0.958446 0.372455  0.790195     1.02465  0.892289     1.44086  0.685741     1.45743  1.06637  0.432404  1.03187  0.428732  
1 1 1 11 2  42 o 3.32835  0.169577  11.4289      1.12882  9.79687      1.58299  13.1174      1.61014  3.01739  0.262311  3.52154  0.228613  
1 1 1 11 2  43 o 1.55792  0.338965  2.87079      1.02671  3.77672      1.4581   1.97989      1.44596  1.719    0.425781  1.24993  0.450821  
1 1 1 11 2  44 o 0.987298 0.385424  1.10548      1.09984  1.38297      1.58318  0.84664      1.52906  1.08284  0.448186  0.98792  0.425811  
1 1 1 11 2  45 o 0.862408 0.372127  0.601924     1.17029  1.81323      1.70511  -0.476852    1.60913  1.10967  0.462563  0.804037 0.379219  
1 1 1 11 2  46 o 0.683107 0.325493  -0.545207    1.21694  -0.0546304   1.72355  -1.03289     1.71847  0.824008 0.390128  0.744022 0.362056  
1 1 1 11 2  47 o 1.01275  0.458646  2.7684       1.99401  1.41162      2.65179  4.53372      3.0248   0.882731 0.434289  1.04261  0.500717  
1 1 1 11 2  48 o 0.806204 0.39368   1.81489      2.09415  0.770746     2.87389  2.99696      3.05783  0.750227 0.380107  0.81802  0.411843  
1 1 1 11 3  0  o 10.0315  0.108187  100.677      2.16999  100.677      2.16999  100.677      2.16999  10.0326  0.0764813 ?        ?         
1 1 1 11 3  1  o 34.3935  0.237463  1184.19      16.3344  1165.58      22.2468  1205.97      24.0602  34.1051  0.326151  34.6863  0.346826  
1 1 1 11 3  2  o 2.23371  0.038378  4.98961      0.171451 5.05397      0.241796 4.92453      0.243146 2.24804  0.0537792 2.21906  0.0547857 
1 1 1 11 3  3  o 24.9616  0.170884  623.447      8.53109  624.784      12.2394  622.184      11.8975  24.9804  0.24498   24.9291  0.238626  
1 1 1 11 3  4  o 10.3677  0.0734418 107.501      1.52284  110.73       2.14421  104.215      2.16317  10.5217  0.101895  10.2074  0.105961  
1 1 1 11 3  5  o 30.1545  0.199557  910.076      12.035   909.36       17.0044  910.795      17.0359  30.1293  0.282191  30.153   0.282491  
1 1 1 11 3  6  o 7.98876  0.05987   63.8254      0.956574 65.3022      1.36437  62.3978      1.34152  8.08032  0.0844254 7.89857  0.0849217 
1 1 1 11 3  7  o 26.9073  0.180236  724.558      9.69934  727.032      13.6167  722.009      13.8194  26.9431  0.252694  26.8491  0.257352  
1 1 1 11 3  8  o 12.551   0.086181  157.555      2.16331  154.42       3.00173  160.943      3.12049  12.4244  0.1208    12.684   0.123009  
1 1 1 11 3  9  o 4.9671   0.0546986 24.6739      0.543386 24.5867      0.756323 24.767       0.781209 4.95813  0.076271  4.97625  0.0784938 
1 1 1 11 3  10 f 26.6265  0.196478  709.695      10.463   717.871      15.1457  702.231      14.4713  26.7647  0.282941  26.4735  0.273317  
1 1 1 11 3  11 o 25.4458  0.183429  648.083      9.33497  646.488      13.3284  649.618      13.0784  25.4022  0.262348  25.4646  0.256795  
1 1 1 11 3  12 o 22.5631  0.174519  509.526      7.87536  503.354      11.0064  516          11.2732  22.4167  0.245496  22.6961  0.248352  
1 1 1 11 3  13 o 24.7116  0.176553  611.157      8.72583  612.664      12.3705  609.665      12.3101  24.7318  0.250092  24.6713  0.249483  
1 1 1 11 3  14 o 6.66218  0.0703797 44.39        0.937764 45.2249      1.32959  43.5635      1.32283  6.72414  0.098867  6.59945  0.100223  
1 1 1 11 3  15 o 7.31185  0.0693856 53.4691      1.01467  53.5245      1.43805  53.414       1.4319   7.31521  0.0982917 7.30766  0.0979724 
1 1 1 11 3  16 o 12.008   0.0909282 144.214      2.18373  147.87       3.19082  140.992      2.99498  12.1582  0.131221  11.8722  0.126134  
1 1 1 11 3  17 o 17.1282  0.119791  293.439      4.1036   292.487      5.85392  294.358      5.7541   17.0983  0.171184  17.1531  0.167728  
1 1 1 11 3  18 o 10.2591  0.0816665 105.259      1.67565  105.271      2.37374  105.248      2.36573  10.2591  0.115689  10.258   0.115311  
1 1 1 11 3  19 o 17.1315  0.120773  293.553      4.13803  291.557      5.87735  295.515      5.8271   17.0711  0.172143  17.1867  0.169523  
1 1 1 11 3  20 o 11.508   0.0947372 132.454      2.18046  131.62       3.19149  133.184      2.98604  11.4706  0.139116  11.5388  0.129391  
1 1 1 11 3  21 o 10.0272  0.0874028 100.56       1.7528   100.849      2.487    100.275      2.47075  10.0407  0.123845  10.0121  0.123388  
1 1 1 11 3  22 o 9.21168  0.0948585 84.8719      1.74761  82.4834      2.41278  87.508       2.53472  9.08026  0.132859  9.35267  0.135508  
1 1 1 11 3  23 o 7.39043  0.0950103 54.6311      1.40433  54.6728      1.96726  54.5877      2.00534  7.39241  0.13306   7.38659  0.135742  
1 1 1 11 3  24 o 6.02323  0.11022   36.2927      1.32776  33.5631      1.84909  39.1983      1.90777  5.79111  0.159649  6.25863  0.152411  
1 1 1 11 3  25 o 10.2054  0.107744  104.198      2.19914  105.132      3.05968  103.2        3.16299  10.2488  0.14927   10.1538  0.155754  
1 1 1 11 3  26 o 15.8501  0.130811  251.447      4.14676  253.777      5.92465  249.209      5.80596  15.9163  0.186119  15.7727  0.184051  
1 1 1 11 3  27 f 10.4218  0.103802  108.687      2.16361  107.987      3.05112  109.395      3.06856  10.3845  0.146907  10.452   0.146793  
1 1 1 11 3  28 o 1.92139  0.255443  3.71126      0.98161  3.61975      1.37691  3.80583      1.39978  1.85779  0.383658  1.90705  0.380476  
1 1 1 11 3  29 o 5.91031  0.100672  34.9699      1.19001  34.0656      1.68938  35.8605      1.67654  5.83002  0.144886  5.98207  0.14013   
1 1 1 11 3  30 o 1.70632  0.266966  2.93895      0.911058 4.81137      1.29423  1.09969      1.28271  2.18082  0.296729  1.15315  0.423749  
1 1 1 11 3  31 o 4.75395  0.110748  22.644       1.05298  23.1295      1.49372  22.1645      1.4846   4.8      0.155595  4.69852  0.157986  
1 1 1 11 3  32 o 2.70243  0.174385  7.34659      0.942526 7.41039      1.31048  7.27823      1.35658  2.70676  0.242075  2.68111  0.252989  
1 1 1 11 3  33 o 2.75136  0.167138  7.61835      0.919713 7.41346      1.28921  7.83069      1.31244  2.70531  0.238274  2.78074  0.235988  
1 1 1 11 3  34 o 0.609999 0.291053  -1.23409     0.980828 -0.75585     1.36486  -1.74482     1.41047  0.825382 0.375599  0.730377 0.348618  
1 1 1 11 3  35 o 2.62914  0.194084  6.99973      1.02055  6.11171      1.46162  7.84452      1.4256   2.43526  0.300096  2.76986  0.257341  
1 1 1 11 3  36 o 1.91268  0.270841  3.75768      1.03607  2.16414      1.491    5.24561      1.44074  1.4224   0.460188  2.24771  0.320491  
1 1 1 11 3  37 o 3.78204  0.157956  14.4627      1.19479  12.755       1.66192  16.2896      1.7189   3.52796  0.235536  3.99495  0.215134  
1 1 1 11 3  38 o 3.45347  0.16159   12.0982      1.11609  13.2032      1.62415  11.1096      1.5363   3.58302  0.226646  3.28371  0.233927  
1 1 1 11 3  39 o 1.65214  0.344554  3.02418      1.10118  1.82783      1.54291  4.26624      1.57211  1.30805  0.466293  1.93022  0.418991  
1 1 1 11 3  40 o 1.95147  0.27887   4.03086      1.08841  4.06636      1.56295  3.99744      1.51659  1.86233  0.428294  1.85136  0.41926   
1 1 1 11 3  41 o 0.653299 0.306664  -0.882232    1.02587  -0.841723    1.46602  -0.9211      1.43604  0.8122   0.376833  0.793665 0.37005   
1 1 1 11 3  42 o 0.988993 0.378392  0.960576     1.0476   2.93727      1.49819  -0.930549    1.4654   1.51368  0.456839  0.786567 0.368733  
1 1 1 11 3  43 o 0.796951 0.343751  0.21005      0.997887 0.478723     1.42089  -0.0514327   1.40175  0.9472   0.409393  0.863146 0.388052  
1 1 1 11 3  44 o 0.898766 0.370952  0.733847     1.07977  1.21966      1.53651  0.259852     1.51771  1.04722  0.437978  0.89817  0.403792  
1 1 1 11 3  45 o 1.1723   0.400101  1.96705      1.12631  1.59752      1.59514  2.33445      1.59055  1.06685  0.446225  1.20332  0.46478   
1 1 1 11 3  46 o 0.657296 0.317033  -0.865269    1.24538  -1.28041     1.70193  -0.386764    1.82721  0.721977 0.353093  0.808192 0.388387  
1 1 1 11 3  47 o 0.714589 0.352734  -0.779734    1.83929  0.727467     2.662    -2.15659     2.54429  0.84422  0.418555  0.723721 0.365734  
1 1 1 11 3  48 o 0.779824 0.387608  1.40779      2.34667  3.02643      3.20428  -0.464614    3.44632  0.814811 0.411489  ?        ?         
1 1 1 11 4  0  o 14.4047  0.142434  207.597      4.10254  207.597      4.10254  207.597      4.10254  14.4064  0.100693  ?        ?         
1 1 1 11 4  1  o 12.6913  0.0889262 161.096      2.25719  158.035      3.20707  164.1        3.17742  12.5691  0.127577  12.8082  0.124039  
1 1 1 11 4  2  o 10.0662  0.07186   101.339      1.44672  101.982      2.05903  100.712      2.03314  10.0975  0.101957  10.0345  0.101308  
1 1 1 11 4  3  o 15.0436  0.102772  226.36       3.09212  227.37       4.39179  225.367      4.35429  15.0754  0.14566   15.0089  0.145057  
1 1 1 11 4  4  o 4.28897  0.0403102 18.3959      0.345779 18.5423      0.484611 18.2442      0.493521 4.30593  0.0562726 4.27116  0.0577736 
1 1 1 11 4  5  o 4.72575  0.0544368 22.3342      0.514509 23.9768      0.72916  20.7053      0.726101 4.89631  0.0744602 4.54998  0.0797916 
1 1 1 11 4  6  o 18.3204  0.123647  335.756      4.53052  333.291      6.29574  338.404      6.52465  18.25    0.172487  18.389   0.177406  
1 1 1 11 4  7  o 12.5364  0.0866677 157.189      2.173    158.797      3.13402  155.7        3.01557  12.5991  0.124374  12.4758  0.120857  
1 1 1 11 4  8  o 23.4231  0.159085  548.986      7.45252  547.733      10.2961  550.366      10.8009  23.3895  0.220101  23.4443  0.230352  
1 1 1 11 4  9  o 4.9601   0.0553746 24.6046      0.549328 24.6593      0.776531 24.5498      0.777202 4.96542  0.0781939 4.95438  0.0784359 
1 1 1 11 4  10 f 1.17592  0.148366  1.38359      0.348932 1.96661      0.493787 0.802085     0.493144 1.40178  0.176129  0.887927 0.260746  
1 1 1 11 4  11 o 6.04799  0.0632941 36.5822      0.765603 36.7361      1.08432  36.4292      1.08114  6.06036  0.08946   6.03499  0.0895727 
1 1 1 11 4  12 o 16.5452  0.128441  273.867      4.25017  273.814      5.92979  273.922      6.09492  16.54    0.179256  16.5429  0.184216  
1 1 1 11 4  13 o 18.2721  0.130935  334.015      4.78491  330.681      6.78233  337.32       6.75155  18.1765  0.186569  18.3583  0.183883  
1 1 1 11 4  14 o 10.5062  0.0853863 110.399      1.79416  109.669      2.5597   111.104      2.51554  10.4704  0.122235  10.5388  0.119347  
1 1 1 11 4  15 o 1.85195  0.133552  3.4311       0.494665 3.7896       0.691999 3.05649      0.707377 1.94598  0.177802  1.74746  0.202402  
1 1 1 11 4  16 o 6.99321  0.0738531 48.9098      1.03294  51.0092      1.53666  47.1792      1.39517  7.14132  0.107589  6.86806  0.101569  
1 1 1 11 4  17 o 26.5408  0.179673  704.756      9.53732  703.575      13.6153  705.894      13.3639  26.5116  0.256779  26.5558  0.251619  
1 1 1 11 4  18 o 4.78877  0.0770961 22.9343      0.738391 22.5556      1.04666  23.3095      1.04184  4.74883  0.110202  4.82757  0.107905  
1 1 1 11 4  19 o 4.89169  0.0792465 23.9309      0.775299 24.0637      1.11228  23.8054      1.08126  4.90499  0.113382  4.87861  0.110816  
1 1 1 11 4  20 f 11.0845  0.0941099 122.886      2.08632  121.86       2.93084  123.94       2.97057  11.0372  0.13277   11.131   0.133437  
1 1 1 11 4  21 o 7.84575  0.0823896 61.5644      1.29282  58.8843      1.82697  64.2525      1.82967  7.67248  0.11906   8.01468  0.114145  
1 1 1 11 4  22 o 15.1447  0.128316  229.448      3.88661  231.498      5.69944  227.666      5.31381  15.209   0.18737   15.0833  0.176148  
1 1 1 11 4  23 o 7.64011  0.0947472 58.385       1.44776  59.2243      2.02832  57.5132      2.0671   7.69396  0.131813  7.58188  0.136319  
1 1 1 11 4  24 o 14.5138  0.129264  210.76       3.75222  214.872      5.3329   206.729      5.28037  14.6509  0.181999  14.3705  0.183723  
1 1 1 11 4  25 o 17.829   0.147353  318.155      5.25429  316.504      7.49769  319.749      7.36545  17.7741  0.210916  17.8658  0.206133  
1 1 1 11 4  26 o 4.04095  0.14244   16.3467      1.15119  16.5832      1.64162  16.1179      1.61476  4.06792  0.201777  4.01047  0.201318  
1 1 1 11 4  27 o 4.6228   0.126594  21.3924      1.17043  21.8492      1.68324  20.9648      1.6286   4.66935  0.180244  4.57399  0.178028  
1 1 1 11 4  28 o 5.25799  0.111767  27.6754      1.17535  26.804       1.6883   28.495       1.63726  5.17145  0.163232  5.33278  0.153509  
1 1 1 11 4  29 o 1.93273  0.24246   3.75939      0.937218 2.02423      1.33009  5.47042      1.32081  1.40634  0.431664  2.32871  0.283592  
1 1 1 11 4  30 o 5.02256  0.109738  25.2673      1.10233  27.5338      1.61078  23.2707      1.51178  5.2389   0.153732  4.81595  0.156956  
1 1 1 11 4  31 o 7.9677   0.0943705 63.5757      1.50383  63.5482      2.14453  63.6024      2.10938  7.95992  0.134708  7.96371  0.132437  
1 1 1 11 4  32 o 5.51127  0.104035  30.4393      1.14673  31.9862      1.65866  29.0228      1.58714  5.6436   0.14695   5.37571  0.147622  
1 1 1 11 4  33 o 3.57357  0.136972  12.8261      0.978958 13.191       1.40038  12.4774      1.36907  3.61623  0.193624  3.51689  0.194642  
1 1 1 11 4  34 o 3.12285  0.171452  9.83463      1.07084  12.2718      1.5471   7.59316      1.48368  3.47864  0.222371  2.72691  0.272044  
1 1 1 11 4  35 o 5.20632  0.118533  27.2358      1.23424  26.6675      1.77952  27.7625      1.71332  5.13756  0.173187  5.24495  0.163331  
1 1 1 11 4  36 o 2.89643  0.18862   8.50156      1.09265  6.49436      1.53931  10.54        1.55124  2.50409  0.30736   3.21132  0.241526  
1 1 1 11 4  37 o 2.27844  0.241318  5.3306       1.09966  4.9221       1.57516  5.71897      1.53588  2.11984  0.385794  2.33396  0.329029  
1 1 1 11 4  38 o 3.25755  0.1692    10.7823      1.10235  11.3421      1.58571  10.2588      1.53353  3.31471  0.239194  3.15072  0.243361  
1 1 1 11 4  39 o 5.65234  0.123326  32.2584      1.39416  31.95        1.93335  32.5925      2.0123   5.59908  0.172649  5.65173  0.178026  
1 1 1 11 4  40 o 0.991576 0.377171  0.87853      1.03586  0.233221     1.46746  1.51942      1.46242  0.967445 0.417068  1.21423  0.451392  
1 1 1 11 4  41 o 1.20952  0.381411  1.67409      1.02909  1.69389      1.4742   1.65527      1.43721  1.23995  0.454412  1.22792  0.448805  
1 1 1 11 4  42 o 0.892427 0.365661  0.561775     1.0416   2.53488      1.49968  -1.2771      1.44777  1.40723  0.46168   0.745399 0.355103  
1 1 1 11 4  43 o 1.2068   0.373513  1.7827       0.993079 2.18586      1.42057  1.39736      1.38882  1.29544  0.448817  1.11205  0.433316  
1 1 1 11 4  44 o 0.769226 0.341647  0.0910201    1.05658  0.44529      1.50979  -0.249008    1.47913  0.919977 0.408527  0.825098 0.381165  
1 1 1 11 4  45 o 0.77768  0.34681   0.216536     1.09954  1.44542      1.57413  -0.954309    1.53651  1.03635  0.43883   0.740193 0.355818  
1 1 1 11 4  46 o 0.546274 0.272697  -2.26355     1.22501  -1.37015     1.79892  -3.03607     1.6728   0.732029 0.359356  0.614376 0.309122  
1 1 1 11 4  47 o 0.74119  0.362893  -0.251586    1.8109   -1.58755     2.57013  1.06556      2.55196  0.741784 0.374098  0.85395  0.420585  
1 1 1 11 5  0  o 19.0491  0.179058  363.084      6.82044  363.084      6.82044  363.084      6.82044  19.0519  0.126582  ?        ?         
1 1 1 11 5  1  o 21.3552  0.146473  456.244      6.25592  450.098      8.63082  463.048      9.08073  21.2064  0.203496  21.5086  0.211096  
1 1 1 11 5  2  o 4.44199  0.0411418 19.7319      0.365503 19.743       0.532686 19.7221      0.502438 4.44314  0.0599448 4.44081  0.0565705 
1 1 1 11 5  3  o 24.4512  0.171286  598.237      8.37632  604.409      12.1049  592.565      11.6029  24.5687  0.246348  24.3277  0.238471  
1 1 1 11 5  4  o 22.0552  0.149748  486.673      6.60545  491.135      9.4225   482.361      9.26259  22.1505  0.212693  21.9519  0.210975  
1 1 1 11 5  5  o 4.10091  0.0431336 16.8181      0.353774 16.8656      0.492989 16.7677      0.507971 4.10661  0.0600239 4.09466  0.0620284 
1 1 1 11 5  6  o 23.8918  0.158915  571.156      7.59355  574.563      10.8057  567.832      10.6733  23.9556  0.225536  23.8151  0.224088  
1 1 1 11 5  7  o 8.69381  0.0643516 75.5899      1.11892  77.9407      1.59047  73.2862      1.57444  8.82753  0.0900856 8.55985  0.0919666 
1 1 1 11 5  8  o 7.93893  0.0626805 63.0329      0.995232 63.2922      1.39469  62.7638      1.42061  7.95486  0.0876625 7.92156  0.0896676 
1 1 1 11 5  9  o 10.5312  0.0826077 110.927      1.73992  109.246      2.45666  112.618      2.4646   10.4502  0.117541  10.6103  0.116142  
1 1 1 11 5  10 o 19.1997  0.137813  368.816      5.29193  366.482      7.26775  371.449      7.72062  19.1344  0.189913  19.2626  0.200405  
1 1 1 11 5  11 o 10.9671  0.0906982 120.305      1.9894   119.417      2.72149  121.324      2.91536  10.9255  0.124548  11.012   0.132372  
1 1 1 11 5  12 o 12.3007  0.0931745 151.343      2.29223  148.93       3.11862  154.179      3.3806   12.201   0.127802  12.4138  0.136164  
1 1 1 11 5  13 o 24.6308  0.172081  607.132      8.47702  611.545      11.7986  602.424      12.1875  24.7115  0.238727  24.525   0.24847   
1 1 1 11 5  14 o 6.07053  0.0705531 36.8558      0.85659  35.3216      1.20649  38.4152      1.21637  5.94245  0.101514  6.19728  0.0981376 
1 1 1 11 5  15 o 1.22189  0.19643   1.49425      0.480032 1.65743      0.682565 1.33455      0.675231 1.26144  0.278031  1.13317  0.295073  
1 1 1 11 5  16 o 15.0969  0.111639  227.966      3.37082  231.848      4.895    224.466      4.64864  15.2231  0.160776  14.979   0.155172  
1 1 1 11 5  17 o 6.49768  0.0704221 42.2229      0.91516  42.7755      1.32571  41.7198      1.26489  6.5398   0.101357  6.45862  0.097923  
1 1 1 11 5  18 o 18.6648  0.139146  348.476      5.19425  346.009      7.21192  351.134      7.48739  18.596   0.19391   18.7329  0.199846  
1 1 1 11 5  19 o 22.822   0.156328  521.041      7.13544  520.979      10.203   521.1        9.9827   22.816   0.223593  22.819   0.218737  
1 1 1 11 5  20 o 14.0316  0.104116  196.925      2.92184  193.163      4.11445  200.752      4.14998  13.8954  0.14805   14.1659  0.146478  
1 1 1 11 5  21 o 4.73136  0.0944045 22.39        0.893324 22.7349      1.26928  22.0514      1.2575   4.76722  0.133126  4.695    0.133919  
1 1 1 11 5  22 o 21.3096  0.169635  454.398      7.22973  452.362      10.1758  456.475      10.2736  21.2548  0.239377  21.351   0.240589  
1 1 1 11 5  23 o 13.1068  0.107801  171.843      2.82585  166.901      3.86179  177.539      4.14605  12.9151  0.149507  13.32    0.155633  
1 1 1 11 5  24 o 21.882   0.178391  479.307      7.80708  488.199      11.3714  471.378      10.7376  22.0719  0.257598  21.6901  0.247524  
1 1 1 11 5  25 o 3.32078  0.167955  11.0409      1.11548  11.1785      1.53626  10.8875      1.62232  3.33959  0.230007  3.29529  0.246157  
1 1 1 11 5  26 o 0.694982 0.321237  -0.876496    1.05251  -0.97147     1.48533  -0.780715    1.49162  0.856668 0.390368  0.88309  0.398474  
1 1 1 11 5  27 o 1.95856  0.25891   3.85301      1.01418  2.8415       1.48767  4.7313       1.38624  1.64668  0.442259  2.16773  0.319744  
1 1 1 11 5  28 o 3.49215  0.147619  12.2182      1.03101  13.2288      1.49296  11.2968      1.42552  3.63046  0.205615  3.35447  0.212481  
1 1 1 11 5  29 o 4.18508  0.123331  17.5444      1.0323   17.2708      1.4723   17.8091      1.4478   4.14857  0.177447  4.21318  0.171818  
1 1 1 11 5  30 f 6.96174  0.0966861 48.5282      1.34621  49.7256      1.9386   47.4131      1.87086  7.04244  0.137637  6.87695  0.136024  
1 1 1 11 5  31 o 1.19871  0.351119  1.49324      0.895324 2.28454      1.28863  0.754791     1.24486  1.47038  0.418233  1.05837  0.410687  
1 1 1 11 5  32 o 1.19543  0.350533  1.49149      0.891879 2.08437      1.296    0.958116     1.22926  1.40978  0.424778  1.09969  0.412842  
1 1 1 11 5  33 o 1.41343  0.326704  2.12686      0.905756 2.51793      1.29999  1.7579       1.26268  1.52979  0.414578  1.31062  0.423438  
1 1 1 11 5  34 o 1.88224  0.264798  3.61523      0.996823 2.8137       1.42991  4.37304      1.39036  1.60617  0.434587  2.05744  0.337885  
1 1 1 11 5  35 o 3.63314  0.150304  13.3036      1.09215  13.0781      1.59895  13.5007      1.49532  3.58521  0.222992  3.64753  0.204977  
1 1 1 11 5  36 f 1.45879  0.353243  2.31415      1.02111  0.166133     1.44503  4.4565       1.44312  0.982409 0.418388  2.03124  0.368832  
1 1 1 11 5  37 o 0.936265 0.366619  0.62854      0.996705 -0.12806     1.38013  1.45328      1.44094  0.907739 0.39791   1.22956  0.449388  
1 1 1 11 5  38 o 2.66815  0.210308  7.29832      1.12227  8.23547      1.60076  6.39244      1.57383  2.80518  0.285322  2.45728  0.320239  
1 1 1 11 5  39 o 3.19407  0.179401  10.4142      1.14604  9.91281      1.60912  10.9303      1.63263  3.08089  0.261145  3.2399   0.251956  
1 1 1 11 5  40 o 0.874258 0.361544  0.391621     1.02886  -1.12137     1.482    1.79925      1.42947  0.792678 0.371457  1.27524  0.449402  
1 1 1 11 5  41 o 0.796445 0.344893  0.0691781    1.0121   0.431874     1.44804  -0.277248    1.41518  0.984197 0.418976  0.866991 0.389837  
1 1 1 11 5  42 o 1.20657  0.381687  1.73833      1.02993  3.02822      1.48476  0.542025     1.42988  1.53537  0.452937  0.974541 0.415649  
1 1 1 11 5  43 f 0.727537 0.325069  -0.110778    0.970125 1.47388      1.3869   -1.62895     1.3575   1.1255   0.434154  0.674637 0.326479  
1 1 1 11 5  44 o 1.81927  0.331965  4.03357      1.16306  3.41078      1.6741   4.61463      1.61703  1.49104  0.487789  1.81314  0.447951  
1 1 1 11 5  45 o 0.612931 0.295103  -0.970742    1.06718  -1.99976     1.47009  0.175626     1.55166  0.643248 0.316998  0.853418 0.392752  
1 1 1 11 5  46 o 0.678812 0.326257  -0.728732    1.29047  -2.71338     1.97731  0.743827     1.70322  0.687233 0.343543  0.895769 0.411925  
1 1 1 11 5  47 o 0.805601 0.378306  0.771607     1.56678  1.64338      2.0341   -0.500152    2.45682  0.891536 0.422911  0.77718  0.387713  
1 1 1 11 6  0  o 30.0258  0.281466  902.541      16.8991  902.541      16.8991  902.541      16.8991  30.034   0.198952  ?        ?         
1 1 1 11 6  1  o 17.6149  0.12268   310.385      4.32201  309.385      6.09114  311.4        6.13356  17.5837  0.173204  17.6408  0.173846  
1 1 1 11 6  2  o 31.8541  0.22285   1015.77      14.1974  1009.3       20.1967  1022.08      19.9616  31.7346  0.318212  31.9361  0.312524  
1 1 1 11 6  3  o 24.2056  0.167642  586.269      8.11573  592.134      11.5855  580.619      11.3722  24.3185  0.238204  24.0812  0.236122  
1 1 1 11 6  4  o 31.1868  0.215719  973.633      13.4552  980.612      19.6017  967.414      18.5028  31.2798  0.313328  31.072   0.297741  
1 1 1 11 6  5  o 9.58786  0.0685811 91.9371      1.31509  95.0188      1.91766  89.201       1.80692  9.74666  0.0983752 9.44362  0.0956689 
1 1 1 11 6  6  o 11.7919  0.0809073 139.071      1.9081   138.611      2.69082  139.536      2.70618  11.7714  0.114294  11.8107  0.114565  
1 1 1 11 6  7  o 13.989   0.0949254 195.736      2.65582  196.193      3.7636   195.282      3.74825  14.0037  0.134378  13.9712  0.134142  
1 1 1 11 6  8  o 10.4992  0.0797516 110.251      1.67465  109.165      2.37513  111.324      2.36156  10.4465  0.113681  10.5493  0.11193   
1 1 1 11 6  9  o 7.3875   0.0632488 54.5809      0.934502 55.2401      1.30186  53.8803      1.34223  7.43161  0.0875895 7.33951  0.0914387 
1 1 1 11 6  10 o 10.2162  0.0815554 104.39       1.66638  105.85       2.41486  103.063      2.30239  10.2864  0.117381  10.1502  0.113416  
1 1 1 11 6  11 o 7.67529  0.0722391 58.9187      1.10891  59.3695      1.55432  58.4515      1.58253  7.70406  0.100877  7.64421  0.103512  
1 1 1 11 6  12 o 7.58512  0.071197  57.5418      1.08008  56.1798      1.46556  59.161       1.59793  7.49437  0.0977771 7.69052  0.10389   
1 1 1 11 6  13 o 5.55302  0.0659966 30.8394      0.732961 30.3597      0.993853 31.4114      1.0853   5.5094   0.0901961 5.60392  0.096834  
1 1 1 11 6  14 o 22.6225  0.164519  512.107      7.44367  510.203      10.3578  514.14       10.7046  22.5734  0.229425  22.6595  0.236205  
1 1 1 11 6  15 o 5.7117   0.0651307 32.6263      0.744015 32.1719      1.04834  33.0876      1.05609  5.67152  0.0924216 5.75168  0.0918072 
1 1 1 11 6  16 o 14.1139  0.10723   199.241      3.02687  195.491      4.32004  202.857      4.2423   13.979   0.154519  14.2401  0.148956  
1 1 1 11 6  17 o 13.9142  0.101787  193.634      2.83257  191.264      4.0544   195.894      3.95903  13.8276  0.146605  13.9941  0.141453  
1 1 1 11 6  18 o 13.0319  0.103406  169.858      2.69515  165.858      3.87794  173.596      3.74839  12.8764  0.150584  13.1735  0.14227   
1 1 1 11 6  19 o 4.09354  0.0882927 16.7591      0.722859 15.5506      1.02072  17.9751      1.02385  3.94288  0.129438  4.23921  0.120759  
1 1 1 11 6  20 o 8.58219  0.0807592 73.6631      1.38618  77.4226      2.02224  70.3311      1.90383  8.79789  0.114928  8.38532  0.113522  
1 1 1 11 6  21 o 3.09997  0.129841  9.61327      0.805008 9.5961       1.15306  9.6296       1.12438  3.09661  0.186181  3.10208  0.181231  
1 1 1 11 6  22 o 3.56992  0.138791  12.7501      0.990947 11.2737      1.38157  14.3145      1.42213  3.35595  0.20584   3.78188  0.188019  
1 1 1 11 6  23 o 5.77766  0.0993625 33.3904      1.14816  32.3951      1.6173   34.4017      1.63027  5.69008  0.142116  5.86372  0.139014  
1 1 1 11 6  24 o 13.0358  0.126222  170.02       3.29081  170.485      4.81463  169.613      4.50829  13.0497  0.184473  13.0171  0.173168  
1 1 1 11 6  25 o 3.76388  0.14572   14.1801      1.09694  13.5288      1.54511  14.842       1.55759  3.6745   0.210247  3.84899  0.202337  
1 1 1 11 6  26 o 4.97756  0.122753  24.7967      1.22202  23.8733      1.73013  25.7161      1.72628  4.88181  0.177201  5.06706  0.170344  
1 1 1 11 6  27 o 5.26563  0.111139  27.7502      1.17043  29.4789      1.66679  26.0686      1.64392  5.42503  0.153621  5.10116  0.161132  
1 1 1 11 6  28 o 4.67838  0.116732  21.9142      1.09223  21.8542      1.53959  21.9749      1.54976  4.66911  0.16487   4.68195  0.165503  
1 1 1 11 6  29 o 3.93581  0.128156  15.5193      1.00879  14.1065      1.44719  16.8547      1.40696  3.74797  0.193064  4.09862  0.171638  
1 1 1 11 6  30 o 3.54485  0.140015  12.6005      0.992668 11.1666      1.40643  14.0239      1.40127  3.33122  0.211098  3.73563  0.187555  
1 1 1 11 6  31 o 3.28626  0.145895  10.8385      0.958899 10.8917      1.38468  10.7894      1.3292   3.28782  0.210577  3.27321  0.203042  
1 1 1 11 6  32 o 1.06705  0.354812  1.11358      0.885753 0.279029     1.26204  1.92373      1.24346  0.961183 0.399135  1.35925  0.417401  
1 1 1 11 6  33 o 1.82638  0.253265  3.38769      0.925117 3.79696      1.33332  3.00773      1.28466  1.88874  0.366028  1.67167  0.390848  
1 1 1 11 6  34 o 3.48859  0.152487  12.254       1.06393  12.7046      1.54179  11.8444      1.47003  3.53975  0.217782  3.4184   0.215017  
1 1 1 11 6  35 o 3.73572  0.150107  14.0676      1.12152  15.8269      1.6322   12.494       1.54364  3.94821  0.206701  3.50437  0.220245  
1 1 1 11 6  36 o 0.83493  0.352542  0.139683     1.01125  0.233196     1.46609  0.0548158    1.39667  0.999319 0.423343  0.94847  0.407856  
1 1 1 11 6  37 f 2.63132  0.192612  7.05138      1.01365  9.21757      1.45575  5.01267      1.41227  2.99276  0.243212  2.18336  0.323417  
1 1 1 11 6  38 o 2.75348  0.209554  7.77286      1.15401  8.08157      1.74569  7.53324      1.53799  2.7645   0.315734  2.68187  0.286739  
1 1 1 11 6  39 o 2.0006   0.266892  4.18945      1.06789  3.58565      1.50503  4.80166      1.51548  1.75724  0.430943  2.07016  0.38024   
1 1 1 11 6  40 o 0.807676 0.349057  0.0600246    1.03276  1.19378      1.51153  -0.932683    1.41439  1.15022  0.45126   0.792075 0.368511  
1 1 1 11 6  41 o 0.794678 0.344822  0.0543208    1.01554  1.18871      1.45567  -1.02134     1.41748  1.12652  0.442593  0.775742 0.363478  
1 1 1 11 6  42 f 1.47034  0.35928   2.57302      1.049    2.54732      1.4774   2.59914      1.48969  1.40737  0.458238  1.41962  0.460056  
1 1 1 11 6  43 o 1.33593  0.367732  2.20239      1.01304  2.80299      1.4486   1.62753      1.41723  1.44355  0.45199   1.15815  0.440985  
1 1 1 11 6  44 o 0.997408 0.388805  1.17307      1.11838  1.99998      1.54677  0.267163     1.61897  1.18794  0.458442  0.912445 0.413243  
1 1 1 11 6  45 o 0.582384 0.284161  -1.32716     1.08327  -2.80658     1.54948  0.0872212    1.51504  0.61285  0.306039  0.83354  0.385331  
1 1 1 11 6  46 o 0.741896 0.349314  -0.211854    1.35414  0.0799011    1.87695  -0.528556    1.95555  0.844886 0.403008  0.806758 0.390666  
1 1 1 11 6  47 o 0.706553 0.343095  -0.332066    1.52899  -2.34675     2.18656  1.59565      2.13885  0.68065  0.343282  0.890058 0.425898  
1 1 1 11 7  0  f 12.1655  0.13447   148.082      3.27089  148.082      3.27089  148.082      3.27089  12.1672  0.0950586 ?        ?         
1 1 1 11 7  1  o 16.364   0.11272   267.854      3.68909  267.751      5.27463  267.953      5.16154  16.3584  0.161221  16.3648  0.157703  
1 1 1 11 7  2  o 37.1746  0.262812  1384.06      19.5399  1384.52      27.6513  1383.61      27.6158  37.1516  0.372141  37.1395  0.371784  
1 1 1 11 7  3  o 25.3428  0.179807  642.724      9.11363  639.661      12.8227  645.851      12.9556  25.273   0.253683  25.3948  0.255083  
1 1 1 11 7  4  o 8.85971  0.0653696 78.5022      1.15831  79.1116      1.69194  77.9646      1.58909  8.89353  0.0951218 8.82892  0.0899937 
1 1 1 11 7  5  o 16.7374  0.113279  280.227      3.79201  282.403      5.46216  278.203      5.2685   16.7996  0.162569  16.6744  0.157981  
1 1 1 11 7  6  f 12.1556  0.0841447 147.785      2.04567  147.799      2.92462  147.772      2.8624   12.1551  0.120304  12.1541  0.117755  
1 1 1 11 7  7  o 12.5311  0.0877747 157.058      2.19982  157.92       3.12608  156.213      3.09617  12.5641  0.124405  12.4961  0.123885  
1 1 1 11 7  8  o 20.5534  0.150384  422.691      6.18183  420.24       8.69446  425.197      8.79119  20.4878  0.212187  20.6081  0.213295  
1 1 1 11 7  9  o 13.5557  0.0992931 183.806      2.69198  183.401      3.79641  184.215      3.81774  13.539   0.140203  13.569   0.140679  
1 1 1 11 7  10 f 14.5126  0.117972  210.697      3.42418  210.087      4.697    211.39       5.00245  14.4891  0.162087  14.5333  0.172103  
1 1 1 11 7  11 o 13.85    0.108977  191.885      3.01866  192.16       4.10799  191.561      4.45063  13.858   0.148218  13.8356  0.16084   
1 1 1 11 7  12 o 20.9498  0.154282  439.163      6.46433  432.898      8.795    446.525      9.53347  20.7941  0.211479  21.1171  0.225729  
1 1 1 11 7  13 o 8.98952  0.0746538 80.8225      1.3422   82.1979      1.89942  79.4508      1.89691  9.06507  0.104766  8.91227  0.106421  
1 1 1 11 7  14 o 3.2187   0.0866277 10.3618      0.557657 9.61945      0.774862 11.1595      0.803193 3.10095  0.124939  3.34001  0.120238  
1 1 1 11 7  15 o 12.6715  0.0909633 160.593      2.30528  161.254      3.26931  159.938      3.2511   12.6965  0.128748  12.6446  0.128556  
1 1 1 11 7  16 o 13.5714  0.101485  184.212      2.75458  185.216      3.91732  183.231      3.87418  13.6071  0.143944  13.534   0.143127  
1 1 1 11 7  17 o 16.3804  0.120723  268.373      3.95497  272.735      5.74124  264.435      5.45599  16.5109  0.173862  16.258   0.167794  
1 1 1 11 7  18 o 13.182   0.0983778 173.791      2.59364  171.812      3.71608  175.67       3.62165  13.1057  0.141774  13.2522  0.136644  
1 1 1 11 7  19 o 18.9374  0.133796  358.732      5.06751  360.584      7.35961  357.063      6.98792  18.983   0.193847  18.8907  0.184957  
1 1 1 11 7  20 o 14.5068  0.106938  210.494      3.10266  212.683      4.47753  208.473      4.3033   14.5802  0.153548  14.4354  0.149054  
1 1 1 11 7  21 o 3.88441  0.106968  15.0923      0.831018 14.736       1.16856  15.4569      1.18203  3.83779  0.152243  3.93057  0.150364  
1 1 1 11 7  22 o 1.19164  0.360012  1.43308      0.930092 2.14755      1.32277  0.734422     1.30805  1.45141  0.427309  1.08467  0.420962  
1 1 1 11 7  23 f 2.06547  0.22953   4.2725       0.948176 5.45192      1.3432   3.10105      1.33866  2.33219  0.28797   1.72307  0.396446  
1 1 1 11 7  24 o 9.25089  0.1121    85.6159      2.07405  87.61        2.94855  83.663       2.91798  9.35602  0.157575  9.14273  0.159579  
1 1 1 11 7  25 f 2.43048  0.211173  5.9193       1.0265   4.22551      1.42876  7.72637      1.47577  2.01802  0.367608  2.7751   0.265894  
1 1 1 11 7  26 o 4.61336  0.128355  21.303       1.1843   19.2518      1.62837  23.6064      1.72554  4.3834   0.185743  4.85429  0.177734  
1 1 1 11 7  27 o 1.67637  0.308815  2.91836      0.996557 1.64805      1.406    4.20084      1.41272  1.32106  0.447027  2.0093   0.365009  
1 1 1 11 7  28 o 2.6913   0.179568  7.26519      0.966542 6.3435       1.34597  8.2465       1.38883  2.51013  0.268108  2.86374  0.242485  
1 1 1 11 7  29 o 6.57061  0.0989179 43.2217      1.2999   43.7813      1.84794  42.6737      1.82889  6.60926  0.1398    6.52508  0.140143  
1 1 1 11 7  30 o 7.65348  0.0950766 58.6515      1.45533  56.1227      2.01105  61.4319      2.10873  7.4818   0.134396  7.82765  0.134697  
1 1 1 11 7  31 o 2.34401  0.191788  5.52967      0.899107 6.02199      1.26973  5.03456      1.27333  2.43951  0.260244  2.22786  0.285775  
1 1 1 11 7  32 o 2.81562  0.165939  7.9727       0.934441 8.54147      1.31656  7.39532      1.32649  2.90734  0.22642   2.70281  0.245392  
1 1 1 11 7  33 o 0.665006 0.305001  -0.646509    0.926975 -0.352266    1.34014  -0.916438    1.28357  0.875951 0.387446  0.775976 0.357156  
1 1 1 11 7  34 o 0.885664 0.354645  0.435673     0.952201 0.932037     1.3278   -0.0898533   1.36625  1.10695  0.425281  0.922279 0.400069  
1 1 1 11 7  35 o 3.39409  0.167606  11.6368      1.13774  11.4317      1.61247  11.8401      1.60557  3.34599  0.240955  3.40677  0.235644  
1 1 1 11 7  36 o 0.74473  0.332151  -0.335625    1.00878  0.685191     1.38601  -1.48555     1.47106  1.0604   0.426516  0.7718   0.363595  
1 1 1 11 7  37 f 0.994718 0.369729  0.869699     0.981072 -0.5909      1.3806   2.35961      1.39439  0.839049 0.380724  1.45278  0.441185  
1 1 1 11 7  38 o 0.788884 0.352352  -0.319766    1.13889  -0.00788731  1.69134  -0.578494    1.54049  1.00651  0.440855  0.886326 0.402171  
1 1 1 11 7  39 o 0.995422 0.376497  0.876539     1.02734  1.51653      1.45153  0.234171     1.45422  1.22237  0.450618  0.971462 0.416904  
1 1 1 11 7  40 o 1.64023  0.336436  3.00706      1.0657   1.59339      1.50801  4.41741      1.50624  1.23475  0.458502  1.96045  0.398015  
1 1 1 11 7  41 o 1.28496  0.384441  1.91869      1.06407  2.78635      1.49074  1.01744      1.51932  1.50872  0.455773  1.10207  0.445198  
1 1 1 11 7  42 o 0.718818 0.32694   -0.342211    1.03127  0.727382     1.49461  -1.31419     1.42477  1.01522  0.428627  0.732545 0.349826  
1 1 1 11 7  43 f 1.09985  0.379218  1.462        1.01311  1.46347      1.42399  1.4605       1.44167  1.11953  0.438247  1.12024  0.440354  
1 1 1 11 7  44 o 0.861578 0.366111  0.559727     1.1021   -0.308326    1.56379  1.41636      1.55347  0.833773 0.387747  1.0755   0.444482  
1 1 1 11 7  45 o 0.807186 0.351951  0.478167     1.0679   0.0762145    1.52072  0.869225     1.49997  0.828913 0.384285  0.927593 0.410144  
1 1 1 11 7  46 o 0.75597  0.355324  -0.0717609   1.38937  1.69511      2.01594  -1.67027     1.91749  0.994902 0.45374   0.722742 0.357574  
1 1 1 11 7  47 o 0.687285 0.33257   -0.380098    1.40739  -0.0861911   2.04051  -0.646779    1.9437   0.776283 0.381609  0.735396 0.362909  
1 1 1 11 8  0  o 11.8592  0.124192  140.71       2.94489  140.71       2.94489  140.71       2.94489  11.8606  0.087795  ?        ?         
1 1 1 11 8  1  o 32.6559  0.220903  1067.58      14.4276  1062.67      20.3173  1072.57      20.4912  32.5626  0.311973  32.7136  0.313191  
1 1 1 11 8  2  o 6.80895  0.0537243 46.3648      0.731612 46.1424      1.03111  46.5902      1.03823  6.79237  0.0759024 6.82525  0.0760582 
1 1 1 11 8  3  o 30.252   0.214459  916.154      12.9756  919.651      18.4228  912.711      18.2787  30.2931  0.304075  30.1788  0.30284   
1 1 1 11 8  4  o 9.09074  0.0677004 82.6505      1.23089  82.8694      1.7685   82.4448      1.71425  9.10224  0.0971466 9.07895  0.0944082 
1 1 1 11 8  5  f 26.9555  0.178781  727.16       9.63828  728.535      13.6532  725.794      13.6081  26.9703  0.253115  26.9196  0.252755  
1 1 1 11 8  6  o 3.14671  0.0475405 9.90237      0.299193 9.31299      0.412896 10.554       0.434149 3.05154  0.0676536 3.24851  0.0668228 
1 1 1 11 8  7  f 18.5227  0.134189  343.248      4.97106  341.342      7.07794  345.103      6.9833   18.4667  0.19164   18.5685  0.188042  
1 1 1 11 8  8  o 7.36774  0.0598234 54.2887      0.881527 55.2917      1.26787  53.3502      1.2265   7.43512  0.0852621 7.30344  0.083967  
1 1 1 11 8  9  o 18.816   0.135211  354.217      5.08825  354.708      7.19998  353.727      7.19176  18.8244  0.191241  18.7983  0.191288  
1 1 1 11 8  10 o 11.1307  0.091147  123.922      2.02907  124.638      2.88287  123.219      2.85638  11.1616  0.129143  11.0978  0.128691  
1 1 1 11 8  11 o 10.2454  0.0818177 104.988      1.67651  104.766      2.36309  105.212      2.37889  10.2337  0.115456  10.2554  0.115982  
1 1 1 11 8  12 o 9.91008  0.0802019 98.2257      1.58961  99.5212      2.19352  96.7928      2.30687  9.97449  0.109956  9.8366   0.11726   
1 1 1 11 8  13 f 10.3695  0.0815938 107.543      1.69217  108.5        2.44058  106.658      2.34826  10.4146  0.117171  10.3259  0.113708  
1 1 1 11 8  14 o 8.82168  0.0754447 77.8321      1.3311   80.7461      1.90736  75.0654      1.8585   8.98471  0.106145  8.66288  0.107268  
1 1 1 11 8  15 o 13.6111  0.0987551 185.295      2.68833  184.452      3.70523  186.232      3.9065   13.579   0.136433  13.6441  0.143157  
1 1 1 11 8  16 o 11.2399  0.0913482 126.353      2.0535   127.001      2.8819   125.684      2.92678  11.268   0.12788   11.2094  0.130551  
1 1 1 11 8  17 o 13.4596  0.105166  181.189      2.83098  178.916      4.11703  183.229      3.89908  13.3735  0.153924  13.5341  0.144047  
1 1 1 11 8  18 o 7.50169  0.0729373 56.2798      1.09431  54.471       1.53614  58.1435      1.55928  7.37983  0.104077  7.62458  0.102254  
1 1 1 11 8  19 o 25.473   0.175596  649.215      8.94592  653.316      13.0086  645.536      12.3221  25.5457  0.254615  25.3944  0.242615  
1 1 1 11 8  20 o 24.4948  0.169373  600.345      8.29751  598.612      11.9591  601.952      11.522   24.4516  0.244546  24.5209  0.234943  
1 1 1 11 8  21 o 7.59356  0.0834372 57.6708      1.26717  58.0023      1.81609  57.3564      1.76894  7.61474  0.119248  7.57227  0.116804  
1 1 1 11 8  22 o 11.5455  0.10824   133.337      2.49935  132.092      3.41729  134.768      3.66494  11.49    0.148707  11.6053  0.157899  
1 1 1 11 8  23 o 7.82699  0.0949604 61.2778      1.48651  61.7824      2.06486  60.7349      2.14173  7.8582   0.131382  7.79111  0.137447  
1 1 1 11 8  24 o 7.54092  0.101539  56.8866      1.5314   57.3437      2.1701   56.4331      2.16139  7.56975  0.14334   7.50938  0.143913  
1 1 1 11 8  25 f 9.80948  0.0990559 96.2707      1.94337  97.8133      2.74245  94.7148      2.75428  9.88552  0.13871   9.7275   0.141572  
1 1 1 11 8  26 o 12.0231  0.106815  144.651      2.56848  146.597      3.65389  142.75       3.61125  12.0996  0.150992  11.9398  0.151228  
1 1 1 11 8  27 o 3.88962  0.136936  15.1499      1.06526  14.5731      1.54328  15.6749      1.47225  3.8117   0.20244   3.95408  0.186168  
1 1 1 11 8  28 o 3.43855  0.142743  11.8476      0.981656 11.5774      1.37865  12.1256      1.39809  3.39564  0.203003  3.47523  0.201151  
1 1 1 11 8  29 o 4.69962  0.11619   22.122       1.0921   20.7744      1.53278  23.5115      1.55641  4.55018  0.168431  4.84139  0.16074   
1 1 1 11 8  30 o 2.26815  0.202827  5.17541      0.920087 5.50897      1.29976  4.84036      1.30264  2.33385  0.278459  2.18586  0.29797   
1 1 1 11 8  31 o 1.50349  0.297761  2.37304      0.863517 2.06578      1.21853  2.68301      1.22389  1.4019   0.409296  1.58564  0.388462  
1 1 1 11 8  32 o 1.75321  0.250033  3.11397      0.876719 3.31831      1.23626  2.90722      1.24351  1.76717  0.362254  1.64836  0.383979  
1 1 1 11 8  33 o 3.72439  0.141522  13.9425      1.05416  13.7052      1.49812  14.1753      1.48361  3.6826   0.203405  3.74625  0.198013  
1 1 1 11 8  34 o 2.26134  0.207759  5.18128      0.939629 5.53376      1.32762  4.82752      1.33005  2.32348  0.285697  2.16607  0.30702   
1 1 1 11 8  35 o 3.11492  0.181401  9.81776      1.1301   10.9041      1.63957  8.83455      1.55982  3.26503  0.251081  2.93497  0.265731  
1 1 1 11 8  36 o 0.735222 0.328118  -0.335473    0.985836 -0.0581872   1.34379  -0.658635    1.4507   0.912633 0.396339  0.8602   0.390298  
1 1 1 11 8  37 f 0.718536 0.321786  -0.334402    0.955487 0.33354      1.34636  -1.01217     1.35622  0.973045 0.408622  0.777611 0.361424  
1 1 1 11 8  38 o 3.60561  0.169717  13.2196      1.22387  11.5076      1.78486  14.7389      1.68139  3.32275  0.268582  3.78478  0.222125  
1 1 1 11 8  39 o 1.28378  0.37152   1.85454      1.00831  2.1289       1.41537  1.5718       1.4368   1.36738  0.448514  1.23176  0.448883  
1 1 1 11 8  40 o 1.63318  0.341419  2.99239      1.07901  1.20147      1.49361  4.94731      1.5605   1.14809  0.448954  2.0827   0.389079  
1 1 1 11 8  41 o 0.997721 0.37883   0.942343     1.04345  0.535837     1.49284  1.33067      1.45907  1.00788  0.42709   1.15196  0.445112  
1 1 1 11 8  42 f 0.686587 0.31686   -0.526115    1.01883  -0.775154    1.44126  -0.277363    1.44043  0.791706 0.36975   0.851579 0.387075  
1 1 1 11 8  43 o 0.604909 0.290384  -1.10507     1.01459  -1.29761     1.44293  -0.916785    1.42689  0.725751 0.347886  0.757758 0.357306  
1 1 1 11 8  44 f 2.08063  0.270575  4.92762      1.12593  4.0996       1.58024  5.78143      1.60466  1.68404  0.4574    2.10432  0.395819  
1 1 1 11 8  45 o 0.75207  0.341854  0.0902602    1.12371  -1.49653     1.57653  1.72897      1.60212  0.695148 0.33994   1.05913  0.445305  
1 1 1 11 8  46 o 0.628603 0.309607  -1.43411     1.37754  -2.09411     1.99364  -0.83112     1.90561  0.704279 0.351051  0.762155 0.372948  
1 1 1 11 8  47 o 0.924458 0.407682  1.65738      1.46882  2.997        2.04655  0.234306     2.10932  1.03581  0.467102  0.802928 0.392778  
1 1 1 11 9  0  o 17.0673  0.160939  291.458      5.49248  291.458      5.49248  291.458      5.49248  17.0697  0.113773  ?        ?         
1 1 1 11 9  1  o 29.7515  0.20369   886          12.1201  889.589      17.3973  882.615      16.8946  29.7963  0.291937  29.6807  0.284606  
1 1 1 11 9  2  o 2.58295  0.0469507 6.67198      0.242543 6.64382      0.340194 6.70109      0.345892 2.57743  0.0659947 2.58851  0.0668129 
1 1 1 11 9  3  o 12.9663  0.096301  168.162      2.49734  167.487      3.5218   168.845      3.54182  12.9388  0.136094  12.9912  0.136317  
1 1 1 11 9  4  o 24.5372  0.174197  602.517      8.54863  601.636      12.0727  603.402      12.1065  24.5102  0.24628   24.5461  0.246608  
1 1 1 11 9  5  o 17.3323  0.117299  300.512      4.06613  298.783      5.65798  302.358      5.84745  17.2796  0.163719  17.3823  0.168201  
1 1 1 11 9  6  o 13.9757  0.0989415 195.37       2.76556  196.739      3.93678  194.036      3.88591  14.0229  0.14037   13.9262  0.139518  
1 1 1 11 9  7  o 17.5172  0.128825  306.984      4.51331  306.263      6.36776  307.712      6.39792  17.4928  0.182011  17.5341  0.182442  
1 1 1 11 9  8  o 12.0086  0.0859106 144.234      2.06333  143.535      2.93364  144.919      2.90258  11.9782  0.122457  12.0359  0.12058   
1 1 1 11 9  9  f 9.57928  0.0839327 91.7804      1.60803  92.4761      2.25569  91.0615      2.29297  9.61463  0.117305  9.54072  0.120167  
1 1 1 11 9  10 o 7.93131  0.0686538 62.9141      1.08903  66.3355      1.60698  60.0081      1.48097  8.14355  0.0986656 7.7455   0.095602  
1 1 1 11 9  11 o 14.5529  0.109602  211.852      3.19004  211.767      4.50681  211.938      4.516    14.5476  0.154899  14.5535  0.155152  
1 1 1 11 9  12 o 12.6791  0.0946001 160.795      2.39889  161.609      3.3681   159.958      3.41753  12.7097  0.132501  12.6446  0.135138  
1 1 1 11 9  13 o 6.51769  0.0669075 42.4848      0.872165 43.2233      1.26052  41.8065      1.20801  6.57371  0.095876  6.46512  0.093425  
1 1 1 11 9  14 o 9.07894  0.0738803 82.4367      1.34151  83.1342      1.86628  81.691       1.92968  9.11677  0.102354  9.0372   0.106763  
1 1 1 11 9  15 o 20.7002  0.146297  428.657      6.05675  425.632      8.32025  432.067      8.83387  20.6235  0.201718  20.778   0.212578  
1 1 1 11 9  16 o 21.7181  0.151848  471.836      6.59568  474.372      9.26673  469.231      9.3899   21.7727  0.212807  21.6541  0.216816  
1 1 1 11 9  17 o 21.2396  0.150821  451.274      6.40676  451.815      9.06869  450.734      9.05238  21.2486  0.213395  21.2232  0.213266  
1 1 1 11 9  18 o 2.62327  0.116003  6.88292      0.608613 5.95662      0.867884 7.77921      0.85371  2.44002  0.177843  2.78862  0.15307   
1 1 1 11 9  19 o 20.2733  0.140737  411.15       5.70639  402.031      8.00841  420.556      8.13316  20.0435  0.199776  20.5002  0.198368  
1 1 1 11 9  20 o 14.0964  0.105012  198.754      2.96057  200.257      4.26136  197.351      4.11618  14.1479  0.1506    14.0451  0.146535  
1 1 1 11 9  21 o 14.4651  0.118476  209.303      3.42752  207.027      4.86925  211.537      4.82553  14.3839  0.169261  14.5399  0.165941  
1 1 1 11 9  22 o 28.547   0.19483   815.721      11.1236  814.561      15.876   816.84       15.5902  28.5121  0.278409  28.553   0.273005  
1 1 1 11 9  23 o 5.57408  0.112506  31.0822      1.25423  30.1605      1.79994  31.9522      1.74868  5.48963  0.16394   5.65059  0.154734  
1 1 1 11 9  24 o 9.82757  0.0978819 96.6163      1.92388  96.8026      2.68212  96.4188      2.76116  9.83533  0.136351  9.81559  0.140652  
1 1 1 11 9  25 o 4.18913  0.128354  17.5631      1.07538  17.8304      1.52527  17.2988      1.51641  4.21921  0.180753  4.15577  0.182446  
1 1 1 11 9  26 o 6.81583  0.102254  46.485       1.3939   48.4964      2.01186  44.6282      1.93304  6.95951  0.14454   6.67617  0.144772  
1 1 1 11 9  27 o 3.86179  0.138791  14.9353      1.07196  14.952       1.50154  14.9179      1.53085  3.86116  0.194442  3.85653  0.198475  
1 1 1 11 9  28 o 4.809    0.109188  23.1551      1.05017  22.9108      1.481    23.4022      1.48938  4.78063  0.154896  4.83169  0.154126  
1 1 1 11 9  29 o 5.83505  0.103815  34.0931      1.21153  33.9304      1.70478  34.2591      1.72206  5.81726  0.146528  5.84529  0.147303  
1 1 1 11 9  30 f 1.85386  0.241358  3.46667      0.894885 3.3423       1.2553   3.59519      1.27607  1.77905  0.36535   1.84861  0.357918  
1 1 1 11 9  31 f 5.29371  0.104375  28.0794      1.10506  27.5868      1.56227  28.5727      1.56332  5.24161  0.149026  5.33481  0.14652   
1 1 1 11 9  32 o 5.61139  0.103776  31.56        1.16465  30.5766      1.63141  32.5821      1.66319  5.51687  0.147856  5.69524  0.146016  
1 1 1 11 9  33 o 2.2212   0.219906  4.99711      0.976909 5.21207      1.37754  4.77963      1.38561  2.25541  0.305386  2.15708  0.321177  
1 1 1 11 9  34 o 2.40978  0.188387  5.87141      0.907944 6.51564      1.28963  5.23825      1.27849  2.52684  0.255187  2.26048  0.282791  
1 1 1 11 9  35 o 1.7981   0.296759  3.33538      1.0672   2.34996      1.54338  4.23822      1.4773   1.47428  0.467327  1.9762   0.387589  
1 1 1 11 9  36 o 2.19444  0.236894  4.9237       1.0397   5.13798      1.46363  4.70543      1.47718  2.21859  0.329856  2.11792  0.348734  
1 1 1 11 9  37 o 2.05091  0.241418  4.33039      0.990253 5.07714      1.38868  3.55782      1.41248  2.19844  0.315835  1.78253  0.405263  
1 1 1 11 9  38 o 1.79327  0.337778  3.52369      1.16705  4.05281      1.70097  3.05307      1.60418  1.86646  0.458391  1.61862  0.468673  
1 1 1 11 9  39 o 2.13008  0.247595  4.73246      1.05479  4.56856      1.47673  4.90319      1.50714  2.01295  0.380671  2.09039  0.374005  
1 1 1 11 9  40 o 1.83762  0.297887  3.60783      1.09481  4.61606      1.53493  2.56374      1.562    2.00514  0.396867  1.46647  0.470676  
1 1 1 11 9  41 o 0.752301 0.33528   -0.183805    1.02619  -0.445322    1.44618  0.0814109    1.45637  0.848827 0.386363  0.924725 0.40703   
1 1 1 11 9  42 o 1.14031  0.378501  1.54132      1.00798  1.99599      1.42819  1.09007      1.42282  1.26488  0.448852  1.06629  0.430792  
1 1 1 11 9  43 o 1.01054  0.374646  1.16742      1.00605  1.6666       1.42626  0.673104     1.41931  1.15426  0.441546  0.963202 0.412563  
1 1 1 11 9  44 o 0.843545 0.363031  0.471676     1.10819  0.98405      1.56815  -0.0394886   1.5663   0.999929 0.431107  0.86162  0.395717  
1 1 1 11 9  45 o 0.889344 0.373505  0.909599     1.12505  0.190485     1.57565  1.65755      1.60693  0.841693 0.390576  1.04055  0.442118  
1 1 1 11 9  46 o 0.629867 0.309827  -1.22781     1.34859  -1.00677     1.83595  -1.48682     1.98744  0.730687 0.359924  0.723715 0.359304  
1 1 1 11 9  47 o 0.812758 0.374828  0.880266     1.42251  0.623296     2.03595  1.12536      1.98837  0.815714 0.396042  0.85111  0.408073  
1 1 1 11 10 0  o 16.6719  0.157562  278.109      5.25266  278.109      5.25266  278.109      5.25266  16.6742  0.111386  ?        ?         
1 1 1 11 10 1  o 16.294   0.113877  265.576      3.71102  268.563      5.30484  262.713      5.19328  16.3828  0.161903  16.2034  0.160253  
1 1 1 11 10 2  o 2.26749  0.0577759 5.14194      0.262013 5.19202      0.369604 5.09135      0.371488 2.27842  0.0811097 2.25622  0.0823254 
1 1 1 11 10 3  o 10.3839  0.078781  107.842      1.63611  108.949      2.33601  106.775      2.29222  10.4363  0.111918  10.3316  0.110932  
1 1 1 11 10 4  o 11.3918  0.0848689 129.796      1.93362  126.731      2.64432  133.317      2.83469  11.2556  0.117467  11.5441  0.122776  
1 1 1 11 10 5  o 10.1089  0.0722106 102.203      1.45994  102          2.06146  102.408      2.06789  10.0982  0.102071  10.1183  0.102185  
1 1 1 11 10 6  o 8.06493  0.063312  65.0499      1.02122  66.4261      1.47114  63.7701      1.41872  8.14936  0.0902613 7.9848   0.0888385 
1 1 1 11 10 7  o 5.67964  0.0553593 32.261       0.628842 30.1251      0.883571 34.4534      0.895177 5.48816  0.0804979 5.86925  0.07626   
1 1 1 11 10 8  o 20.4935  0.143205  420.215      5.86951  423.288      8.35203  417.216      8.25038  20.5625  0.203089  20.4146  0.202071  
1 1 1 11 10 9  o 15.4106  0.126168  237.59       3.88863  239.168      5.6206   236.142      5.38564  15.4579  0.181803  15.3604  0.17531   
1 1 1 11 10 10 o 2.68197  0.0752017 7.19406      0.403377 8.1464       0.58592  6.336        0.556165 2.85378  0.102657  2.51672  0.110494  
1 1 1 11 10 11 o 16.4452  0.124169  270.553      4.08399  273.455      5.90765  267.896      5.65209  16.5296  0.178699  16.3612  0.172728  
1 1 1 11 10 12 o 8.83315  0.0727595 78.0346      1.28539  77.3955      1.78671  78.7203      1.85061  8.79635  0.10156   8.87125  0.104304  
1 1 1 11 10 13 o 4.88492  0.0658182 23.8649      0.643034 23.6031      0.910436 24.1255      0.908342 4.8578   0.0937088 4.91127  0.0924752 
1 1 1 11 10 14 o 9.85239  0.0758452 97.0806      1.49451  96.0239      2.09188  98.1823      2.13593  9.79806  0.10675   9.90755  0.107793  
1 1 1 11 10 15 o 7.61469  0.0737526 57.9887      1.12321  58.0006      1.59125  57.9768      1.58567  7.61512  0.10448   7.61356  0.104135  
1 1 1 11 10 16 o 17.1063  0.120888  292.689      4.1359   292.248      5.836    293.135      5.86217  17.0915  0.170728  17.1174  0.171234  
1 1 1 11 10 17 o 30.214   0.213322  913.501      12.8906  906.235      17.8809  921.363      18.6006  30.0835  0.297187  30.3323  0.306614  
1 1 1 11 10 18 o 11.5524  0.0908598 133.474      2.09929  137.036      3.06876  130.342      2.8781   11.7046  0.131092  11.4153  0.126063  
1 1 1 11 10 19 o 11.379   0.0913457 129.503      2.07885  124.964      2.89862  134.31       2.98308  11.177   0.129669  11.5874  0.128721  
1 1 1 11 10 20 o 20.1913  0.140757  407.856      5.68414  411.179      8.18683  404.763      7.89811  20.2689  0.201956  20.1106  0.196367  
1 1 1 11 10 21 o 9.29568  0.0963951 86.4279      1.79212  83.5097      2.48279  89.6023      2.58944  9.13644  0.135873  9.46383  0.136807  
1 1 1 11 10 22 o 19.254   0.136713  370.901      5.26455  370.136      7.50777  371.641      7.38417  19.2292  0.195218  19.2686  0.191612  
1 1 1 11 10 23 o 6.49591  0.108174  42.2122      1.40538  43.7296      2.0329   40.8232      1.94501  6.6104   0.153765  6.387    0.152264  
1 1 1 11 10 24 o 6.4526   0.103035  41.6539      1.32968  38.9235      1.82827  44.72        1.93738  6.23614  0.146587  6.68444  0.144917  
1 1 1 11 10 25 o 10.8351  0.103976  117.464      2.25318  119.821      3.14965  114.992      3.22462  10.9405  0.143945  10.7172  0.150441  
1 1 1 11 10 26 o 2.37456  0.213261  5.65464      1.0128   5.17726      1.46044  6.09695      1.40577  2.26791  0.321978  2.46284  0.285395  
1 1 1 11 10 27 o 8.80758  0.0988436 77.6338      1.74115  79.9065      2.46809  75.382       2.45666  8.93219  0.138157  8.67529  0.141589  
1 1 1 11 10 28 o 6.06622  0.0972282 36.836       1.17962  36.3976      1.6783   37.264       1.65833  6.02688  0.139235  6.09848  0.135963  
1 1 1 11 10 29 o 3.86593  0.131666  14.9786      1.01802  15.7888      1.45047  14.1921      1.42917  3.965    0.182909  3.75853  0.190124  
1 1 1 11 10 30 o 3.42574  0.139361  11.7707      0.954829 12.1702      1.34851  11.3689      1.35216  3.47845  0.193838  3.36124  0.20114   
1 1 1 11 10 31 f 6.1591   0.0992243 38.0051      1.22227  38.0985      1.73166  37.9123      1.72544  6.16091  0.140536  6.14586  0.140374  
1 1 1 11 10 32 o 3.84481  0.127745  14.8355      0.982308 15.3341      1.38977  14.3376      1.38862  3.90241  0.178065  3.7726   0.18404   
1 1 1 11 10 33 o 2.99743  0.171757  9.05744      1.02966  9.52959      1.46097  8.59147      1.4514   3.06337  0.238458  2.90654  0.249677  
1 1 1 11 10 34 o 1.13746  0.352234  1.34936      0.882996 0.679874     1.26418  1.98712      1.23386  1.03394  0.410473  1.3636   0.415194  
1 1 1 11 10 35 o 1.1892   0.385946  1.46279      1.04813  0.0392778    1.50049  2.81923      1.46471  0.98022  0.422146  1.59693  0.443227  
1 1 1 11 10 36 o 3.83131  0.142588  14.7991      1.0926   16.2091      1.55987  13.4411      1.53087  3.99518  0.195219  3.63354  0.210659  
1 1 1 11 10 37 o 1.00413  0.370188  0.908327     0.979622 -0.195806    1.36868  2.06809      1.40274  0.891068 0.393172  1.37302  0.446508  
1 1 1 11 10 38 o 1.1294   0.397688  1.29775      1.11921  2.64495      1.59027  -0.0244518   1.57544  1.51253  0.473574  0.970745 0.425334  
1 1 1 11 10 39 o 0.575041 0.278608  -1.52225     0.998327 -1.70521     1.39837  -1.33208     1.42572  0.709672 0.340732  0.754672 0.356234  
1 1 1 11 10 40 o 0.989183 0.382943  0.843978     1.08103  1.95343      1.5221   -0.285252    1.53561  1.31333  0.463643  0.906423 0.406882  
1 1 1 11 10 41 o 0.585965 0.283116  -1.37117     1.00536  -0.611275    1.39444  -2.19376     1.45082  0.81022  0.372641  0.674086 0.328896  
1 1 1 11 10 42 o 1.58678  0.330712  2.93443      1.01504  3.15163      1.43857  2.71909      1.43242  1.56292  0.441044  1.44655  0.448766  
1 1 1 11 10 43 o 1.11554  0.388238  1.54878      1.06399  1.799        1.512    1.30334      1.49752  1.17878  0.453601  1.08028  0.439838  
1 1 1 11 10 44 o 0.712486 0.328064  -0.297106    1.08417  -0.216277    1.53446  -0.377679    1.53203  0.832993 0.386115  0.814243 0.380641  
1 1 1 11 10 45 o 0.569071 0.280311  -1.52918     1.11568  -0.766116    1.5926   -2.26454     1.56343  0.748243 0.360313  0.637732 0.316898  
1 1 1 11 10 46 o 0.582027 0.289833  -1.86203     1.34287  -0.714313    1.83056  -3.19932     1.97597  0.740808 0.363293  0.638583 0.322625  
1 1 1 11 10 47 o 0.746666 0.350992  0.407464     1.35648  2.53654      1.96775  -1.52046     1.87249  0.966513 0.443744  0.670824 0.335194  
1 1 1 11 11 0  o 43.3719  0.576108  1889.71      49.9539  1889.71      49.9539  1889.71      49.9539  43.4211  0.406827  ?        ?         
1 1 1 11 11 1  o 26.2377  0.257311  689.174      13.4996  689.174      13.4996  689.174      13.4996  26.2449  0.181877  ?        ?         
1 1 1 11 11 2  o 14.782   0.154384  218.642      4.56307  218.642      4.56307  218.642      4.56307  14.7842  0.109135  ?        ?         
1 1 1 11 11 3  o 17.6626  0.183479  312.198      6.47984  312.198      6.47984  312.198      6.47984  17.6658  0.129699  ?        ?         
1 1 1 11 11 4  o 2.86815  0.0849006 8.24866      0.48605  8.24866      0.48605  8.24866      0.48605  2.87011  0.059933  ?        ?         
1 1 1 11 11 5  o 11.549   0.123417  133.452      2.84996  133.452      2.84996  133.452      2.84996  11.5506  0.0872461 ?        ?         
1 1 1 11 11 6  o 32.8973  0.337703  1084.2       22.2138  1084.2       22.2138  1084.2       22.2138  32.9122  0.238656  ?        ?         
1 1 1 11 11 7  o 9.38163  0.110569  88.066       2.07398  88.066       2.07398  88.066       2.07398  9.38299  0.0781604 ?        ?         
1 1 1 11 11 8  o 12.2377  0.138939  149.859      3.3996   149.859      3.3996   149.859      3.3996   12.2397  0.0982144 ?        ?         
1 1 1 11 11 9  o 5.63863  0.0891276 31.8215      1.00455  31.8215      1.00455  31.8215      1.00455  5.63985  0.0629914 ?        ?         
1 1 1 11 11 10 f 10.7202  0.114224  114.981      2.44839  114.981      2.44839  114.981      2.44839  10.7216  0.0807482 ?        ?         
1 1 1 11 11 11 o 26.6709  0.283109  712.293      15.0977  712.293      15.0977  712.293      15.0977  26.6798  0.200096  ?        ?         
1 1 1 11 11 12 f 21.5401  0.224404  464.407      9.66498  464.407      9.66498  464.407      9.66498  21.545   0.158621  ?        ?         
1 1 1 11 11 13 o 11.0837  0.11548   122.907      2.55926  122.907      2.55926  122.907      2.55926  11.085   0.0816369 ?        ?         
1 1 1 11 11 14 o 37.5261  0.352469  1410.19      26.4484  1410.19      26.4484  1410.19      26.4484  37.5391  0.249122  ?        ?         
1 1 1 11 11 15 o 9.37582  0.12477   87.9634      2.33871  87.9634      2.33871  87.9634      2.33871  9.37735  0.0881936 ?        ?         
1 1 1 11 11 16 o 2.22096  0.165405  5.01524      0.72535  5.01524      0.72535  5.01524      0.72535  2.2304   0.11569   ?        ?         
1 1 1 11 11 17 f 13.3108  0.149547  177.275      3.98006  177.275      3.98006  177.275      3.98006  13.3126  0.105717  ?        ?         
1 1 1 11 11 18 o 0.669051 0.387326  0.567025     0.827196 0.567025     0.827196 0.567025     0.827196 0.628528 0.339119  ?        ?         
1 1 1 11 11 19 o 9.14138  0.120463  83.6202      2.20153  83.6202      2.20153  83.6202      2.20153  9.14289  0.0851493 ?        ?         
1 1 1 11 11 20 o 5.86071  0.116988  34.394       1.37004  34.394       1.37004  34.394       1.37004  5.86268  0.0826583 ?        ?         
1 1 1 11 11 21 o 17.2887  0.227329  299.235      7.85739  299.235      7.85739  299.235      7.85739  17.2935  0.16067   ?        ?         
1 1 1 11 11 22 o 7.39846  0.129199  54.7998      1.91043  54.7998      1.91043  54.7998      1.91043  7.40057  0.0912997 ?        ?         
1 1 1 11 11 23 o 7.88743  0.151238  62.303       2.38378  62.303       2.38378  62.303       2.38378  7.89033  0.106858  ?        ?         
1 1 1 11 11 24 o 5.59774  0.15061   31.418       1.68339  31.418       1.68339  31.418       1.68339  5.60146  0.106339  ?        ?         
1 1 1 11 11 25 o 6.48105  0.144904  42.0906      1.87614  42.0906      1.87614  42.0906      1.87614  6.4844   0.102351  ?        ?         
1 1 1 11 11 26 o 12.8044  0.157138  164.158      4.02274  164.158      4.02274  164.158      4.02274  12.8084  0.11106   ?        ?         
1 1 1 11 11 27 o 11.005   0.145244  121.28       3.19556  121.28       3.19556  121.28       3.19556  11.0088  0.102647  ?        ?         
1 1 1 11 11 28 o 2.29756  0.284362  5.53906      1.26154  5.53906      1.26154  5.53906      1.26154  2.32707  0.194807  ?        ?         
1 1 1 11 11 29 o 2.07374  0.340385  4.66225      1.29697  4.66225      1.29697  4.66225      1.29697  2.12192  0.221637  ?        ?         
1 1 1 11 11 30 o 10.8627  0.139108  118.237      3.02105  118.237      3.02105  118.237      3.02105  10.8681  0.0982967 ?        ?         
1 1 1 11 11 31 o 3.37945  0.197178  11.5795      1.32233  11.5795      1.32233  11.5795      1.32233  3.3913   0.13838   ?        ?         
1 1 1 11 11 32 o 2.63905  0.249298  7.19627      1.28884  7.19627      1.28884  7.19627      1.28884  2.6615   0.172883  ?        ?         
1 1 1 11 11 33 o 1.0707   0.528921  1.7585       1.34688  1.7585       1.34688  1.7585       1.34688  1.11809  0.443518  ?        ?         
1 1 1 11 11 34 o 1.19479  0.508647  2.09009      1.22818  2.09009      1.22818  2.09009      1.22818  1.29131  0.386686  ?        ?         
1 1 1 11 11 35 o 0.624669 0.421539  -0.468696    1.47487  -0.468696    1.47487  -0.468696    1.47487  0.509015 0.347407  ?        ?         
1 1 1 11 11 36 o 1.71527  0.4666    3.62141      1.38128  3.62141      1.38128  3.62141      1.38128  1.82431  0.289619  ?        ?         
1 1 1 11 11 37 o 0.933939 0.524682  1.3263       1.46385  1.3263       1.46385  1.3263       1.46385  0.921498 0.46229   ?        ?         
1 1 1 11 11 38 o 0.661377 0.442773  -0.27161     1.56836  -0.27161     1.56836  -0.27161     1.56836  0.550191 0.369507  ?        ?         
1 1 1 11 11 39 o 0.886683 0.51161   1.19682      1.43547  1.19682      1.43547  1.19682      1.43547  0.86737  0.452617  ?        ?         
1 1 1 11 11 40 o 0.459902 0.333222  -2.33346     1.49618  -2.33346     1.49618  -2.33346     1.49618  0.347764 0.256528  ?        ?         
1 1 1 11 11 41 o 0.882289 0.509389  1.25703      1.42442  1.25703      1.42442  1.25703      1.42442  0.875301 0.452328  ?        ?         
1 1 1 11 11 42 o 1.01363  0.537537  1.82313      1.44966  1.82313      1.44966  1.82313      1.44966  1.07696  0.465398  ?        ?         
1 1 1 11 11 43 o 0.467965 0.338859  -2.10932     1.53258  -2.10932     1.53258  -2.10932     1.53258  0.360164 0.264746  ?        ?         
1 1 1 11 11 44 o 0.868036 0.509097  1.42829      1.45918  1.42829      1.45918  1.42829      1.45918  0.89042  0.458328  ?        ?         
1 1 1 11 11 45 o 0.480889 0.34848   -1.90284     1.63818  -1.90284     1.63818  -1.90284     1.63818  0.380987 0.279463  ?        ?         
1 1 1 11 11 46 o 0.517939 0.377212  -1.84029     1.99159  -1.84029     1.99159  -1.84029     1.99159  0.426621 0.312104  ?        ?         
1 1 1 11 11 47 o 0.522354 0.378228  -1.21331     1.89904  -1.21331     1.89904  -1.21331     1.89904  0.442121 0.320105  ?        ?         
1 1 1 12 0  0  o 8.36022  0.11493   69.9413      1.92085  69.9413      1.92085  69.9413      1.92085  8.36165  0.0812362 ?        ?         
1 1 1 12 0  1  o 9.89809  0.0990776 98.0104      1.96091  98.0104      1.96091  98.0104      1.96091  9.89905  0.0700437 ?        ?         
1 1 1 12 0  2  f 16.8558  0.16186   284.268      5.45546  284.268      5.45546  284.268      5.45546  16.858   0.114426  ?        ?         
1 1 1 12 0  3  o 27.7561  0.26004   771.11       14.4325  771.11       14.4325  771.11       14.4325  27.7624  0.183816  ?        ?         
1 1 1 12 0  4  o 52.2915  0.489373  2741.75      51.1701  2741.75      51.1701  2741.75      51.1701  52.3261  0.345776  ?        ?         
1 1 1 12 0  5  o 5.94621  0.0890732 35.3842      1.05876  35.3842      1.05876  35.3842      1.05876  5.94734  0.0629564 ?        ?         
1 1 1 12 0  6  o 20.7574  0.203896  431.193      8.46289  431.193      8.46289  431.193      8.46289  20.7613  0.144134  ?        ?         
1 1 1 12 0  7  o 6.78417  0.0915165 46.0546      1.24122  46.0546      1.24122  46.0546      1.24122  6.78526  0.0646883 ?        ?         
1 1 1 12 0  8  o 11.3644  0.111609  129.207      2.53619  129.207      2.53619  129.207      2.53619  11.3657  0.0789023 ?        ?         
1 1 1 12 0  9  o 3.7403   0.0753568 14.0079      0.563198 14.0079      0.563198 14.0079      0.563198 3.74151  0.0532436 ?        ?         
1 1 1 12 0  10 o 13.2808  0.157904  176.512      4.19284  176.512      4.19284  176.512      4.19284  13.2833  0.111616  ?        ?         
1 1 1 12 0  11 o 1.02008  0.277762  1.24689      0.489033 1.24689      0.489033 1.24689      0.489033 1.07636  0.174458  ?        ?         
1 1 1 12 0  12 o 14.3088  0.170835  204.913      4.88732  204.913      4.88732  204.913      4.88732  14.3118  0.120754  ?        ?         
1 1 1 12 0  13 o 12.688   0.139184  161.086      3.531    161.086      3.531    161.086      3.531    12.69    0.0983898 ?        ?         
1 1 1 12 0  14 o 0.700684 0.357194  0.725148     0.623215 0.725148     0.623215 0.725148     0.623215 0.713691 0.304779  ?        ?         
1 1 1 12 0  15 o 5.43112  0.103561  29.5329      1.12398  29.5329      1.12398  29.5329      1.12398  5.43277  0.0731763 ?        ?         
1 1 1 12 0  16 o 4.37797  0.106266  19.2025      0.929222 19.2025      0.929222 19.2025      0.929222 4.38002  0.0750561 ?        ?         
1 1 1 12 0  17 o 13.3494  0.138928  178.291      3.70831  178.291      3.70831  178.291      3.70831  13.351   0.0982135 ?        ?         
1 1 1 12 0  18 o 9.85838  0.114854  97.2366      2.26386  97.2366      2.26386  97.2366      2.26386  9.85961  0.0811917 ?        ?         
1 1 1 12 0  19 o 10.5235  0.121157  110.8        2.54921  110.8        2.54921  110.8        2.54921  10.5248  0.085647  ?        ?         
1 1 1 12 0  20 o 26.0598  0.24862   679.656      12.9553  679.656      12.9553  679.656      12.9553  26.065   0.175748  ?        ?         
1 1 1 12 0  21 o 1.107    0.4676    1.73893      1.03963  1.73893      1.03963  1.73893      1.03963  1.18553  0.35637   ?        ?         
1 1 1 12 0  22 o 4.01221  0.17697   16.1971      1.4138   16.1971      1.4138   16.1971      1.4138   4.01842  0.124662  ?        ?         
1 1 1 12 0  23 o 9.65112  0.140314  93.2262      2.70708  93.2262      2.70708  93.2262      2.70708  9.65324  0.0991712 ?        ?         
1 1 1 12 0  24 o 5.39338  0.157508  29.1736      1.69572  29.1736      1.69572  29.1736      1.69572  5.39733  0.111185  ?        ?         
1 1 1 12 0  25 o 10.1549  0.152718  103.237      3.10007  103.237      3.10007  103.237      3.10007  10.1577  0.10793   ?        ?         
1 1 1 12 0  26 o 9.53515  0.143966  91.0282      2.74407  91.0282      2.74407  91.0282      2.74407  9.53801  0.101743  ?        ?         
1 1 1 12 0  27 o 6.58386  0.150673  43.4455      1.98167  43.4455      1.98167  43.4455      1.98167  6.58759  0.106418  ?        ?         
1 1 1 12 0  28 o 5.78665  0.150972  33.5836      1.74456  33.5836      1.74456  33.5836      1.74456  5.79089  0.106593  ?        ?         
1 1 1 12 0  29 f 1.49202  0.49102   2.86604      1.29571  2.86604      1.29571  2.86604      1.29571  1.60087  0.3231    ?        ?         
1 1 1 12 0  30 o 1.25453  0.520898  2.24227      1.29526  2.24227      1.29526  2.24227      1.29526  1.35102  0.391096  ?        ?         
1 1 1 12 0  31 o 6.90557  0.136576  47.8118      1.88461  47.8118      1.88461  47.8118      1.88461  6.91007  0.0964683 ?        ?         
1 1 1 12 0  32 o 7.42127  0.136844  55.2303      2.02956  55.2303      2.02956  55.2303      2.02956  7.4265   0.0966581 ?        ?         
1 1 1 12 0  33 o 0.520329 0.361502  -0.869948    1.24109  -0.869948    1.24109  -0.869948    1.24109  0.408686 0.288581  ?        ?         
1 1 1 12 0  34 o 2.23246  0.334823  5.37441      1.39391  5.37441      1.39391  5.37441      1.39391  2.27938  0.220977  ?        ?         
1 1 1 12 0  35 o 1.32345  0.539848  2.52832      1.39854  2.52832      1.39854  2.52832      1.39854  1.43728  0.398235  ?        ?         
1 1 1 12 0  36 o 1.05385  0.533535  1.72742      1.38489  1.72742      1.38489  1.72742      1.38489  1.09447  0.452661  ?        ?         
1 1 1 12 0  37 o 1.00604  0.569181  1.51769      1.7375   1.51769      1.7375   1.51769      1.7375   0.986592 0.501841  ?        ?         
1 1 1 12 0  38 o 1.12492  0.536464  1.99141      1.37079  1.99141      1.37079  1.99141      1.37079  1.20312  0.438782  ?        ?         
1 1 1 12 0  39 o 1.50249  0.554916  3.20712      1.53973  3.20712      1.53973  3.20712      1.53973  1.6489   0.379792  ?        ?         
1 1 1 12 0  40 o 1.77094  0.487717  3.97759      1.49172  3.97759      1.49172  3.97759      1.49172  1.90074  0.299828  ?        ?         
1 1 1 12 0  41 o 1.07258  0.547408  1.93009      1.46467  1.93009      1.46467  1.93009      1.46467  1.13921  0.464542  ?        ?         
1 1 1 12 0  42 o 2.21419  0.371301  5.60806      1.50513  5.60806      1.50513  5.60806      1.50513  2.29896  0.237261  ?        ?         
1 1 1 12 0  43 o 0.902615 0.514955  1.40959      1.4359   1.40959      1.4359   1.40959      1.4359   0.915615 0.458095  ?        ?         
1 1 1 12 0  44 o 0.547053 0.383599  -0.870849    1.49579  -0.870849    1.49579  -0.870849    1.49579  0.444319 0.31444   ?        ?         
1 1 1 12 0  45 o 1.02425  0.565382  2.21635      1.65946  2.21635      1.65946  2.21635      1.65946  1.1314   0.498291  ?        ?         
1 1 1 12 0  46 o 1.11706  0.595194  2.91612      1.78377  2.91612      1.78377  2.91612      1.78377  1.31656  0.507631  ?        ?         
1 1 1 12 0  47 o 0.885892 0.597781  3.19163      2.96516  3.19163      2.96516  3.19163      2.96516  0.992352 0.597247  ?        ?         
1 1 1 12 0  48 o 0.617294 0.453007  -0.10695     3.07144  -0.10695     3.07144  -0.10695     3.07144  0.576901 0.416564  ?        ?         
1 1 1 12 1  0  o 9.47425  0.0930384 89.7947      1.76256  89.7947      1.76256  89.7947      1.76256  9.47513  0.0657749 ?        ?         
1 1 1 12 1  1  o 20.7198  0.138694  429.467      5.74744  427.235      8.00603  431.839      8.25593  20.6622  0.193736  20.7728  0.198719  
1 1 1 12 1  2  o 14.1259  0.0943099 199.576      2.66443  204.22       3.84887  195.304      3.69216  14.288   0.134689  13.9727  0.13212   
1 1 1 12 1  3  o 32.5858  0.220219  1062.86      14.352   1064.55      19.8944  1061.03      20.7248  32.5967  0.30516   32.5401  0.31845   
1 1 1 12 1  4  f 22.3562  0.151842  500.039      6.78925  500.773      9.41641  499.245      9.79783  22.3676  0.210493  22.3325  0.219362  
1 1 1 12 1  5  o 29.6495  0.196282  879.824      11.6394  877.919      16.4281  881.744      16.4932  29.6049  0.277456  29.6692  0.277951  
1 1 1 12 1  6  o 40.7467  0.269257  1662.99      21.9427  1670.86      31.1648  1655.26      30.9001  40.8086  0.381841  40.6182  0.380373  
1 1 1 12 1  7  o 18.5261  0.125023  343.343      4.6324   343.234      6.62119  343.448      6.4834   18.5196  0.178762  18.5257  0.174984  
1 1 1 12 1  8  o 37.2175  0.248858  1387.24      18.5238  1396.03      26.6361  1379         25.7782  37.3051  0.357003  37.0799  0.347603  
1 1 1 12 1  9  o 13.5841  0.102896  184.579      2.7955   184.977      4.01273  184.203      3.8967   13.5969  0.147561  13.5686  0.143593  
1 1 1 12 1  10 o 18.439   0.141031  340.175      5.20095  341.635      7.48314  338.81       7.23371  18.4734  0.202539  18.3974  0.196596  
1 1 1 12 1  11 o 13.438   0.0939446 180.623      2.52486  181.427      3.55118  179.801      3.59051  13.4663  0.131854  13.4057  0.133917  
1 1 1 12 1  12 o 5.92735  0.0712516 35.1385      0.844667 34.6184      1.202    35.6459      1.18722  5.88288  0.10216   5.96959  0.099439  
1 1 1 12 1  13 o 11.8196  0.0907196 139.733      2.14454  138.421      3.00962  141.087      3.05661  11.7627  0.12793   11.8754  0.128695  
1 1 1 12 1  14 o 10.6991  0.0843391 114.491      1.80471  114.748      2.52566  114.223      2.57969  10.7102  0.117909  10.6856  0.120709  
1 1 1 12 1  15 o 4.8385   0.0723986 23.4139      0.700601 22.6819      0.96878  24.2165      1.01439  4.76196  0.101721  4.92041  0.10308   
1 1 1 12 1  16 o 6.82159  0.0687772 46.5383      0.93834  46.8174      1.3353   46.266       1.31888  6.8417   0.0975855 6.8013   0.0969577 
1 1 1 12 1  17 o 7.21861  0.0723983 52.1126      1.04523  51.2619      1.49876  52.9182      1.45843  7.15912  0.104675  7.27391  0.100251  
1 1 1 12 1  18 o 13.2679  0.0990128 176.063      2.62739  174.676      3.78157  177.358      3.65313  13.2145  0.143084  13.3157  0.137174  
1 1 1 12 1  19 o 20.1706  0.142843  406.976      5.76246  404.621      8.19646  409.278      8.10304  20.1088  0.203803  20.2244  0.200329  
1 1 1 12 1  20 o 2.79687  0.124839  7.82458      0.698317 7.08829      0.97683  8.59416      0.998671 2.66159  0.183505  2.93083  0.170373  
1 1 1 12 1  21 o 19.0061  0.132326  361.361      5.02999  360.683      7.10145  362.043      7.12558  18.9848  0.18703   19.0206  0.187312  
1 1 1 12 1  22 o 16.5878  0.13164   275.258      4.36723  274.867      6.24891  275.632      6.10595  16.5726  0.188531  16.596   0.183959  
1 1 1 12 1  23 o 14.0933  0.118361  198.693      3.3362   199.733      4.7936   197.717      4.64604  14.1275  0.169656  14.0562  0.165266  
1 1 1 12 1  24 o 6.10137  0.104823  37.2391      1.27913  37.5136      1.80365  36.9612      1.81433  6.12282  0.147289  6.07752  0.149266  
1 1 1 12 1  25 o 4.75753  0.133161  22.6498      1.26704  23.2208      1.77644  22.0586      1.80769  4.81556  0.184448  4.69322  0.192585  
1 1 1 12 1  26 o 4.77576  0.129935  22.8274      1.24107  24.0764      1.80873  21.7162      1.70606  4.90255  0.184468  4.65611  0.183206  
1 1 1 12 1  27 o 7.44946  0.102102  55.5307      1.52121  55.9774      2.24187  55.1495      2.07093  7.47649  0.149928  7.4217   0.139518  
1 1 1 12 1  28 o 9.26155  0.100233  85.8455      1.85663  84.7434      2.54871  87.0915      2.71006  9.19846  0.13854   9.32431  0.145322  
1 1 1 12 1  29 o 5.64549  0.102405  31.9073      1.15626  32.5104      1.6355   31.3047      1.63488  5.69554  0.143578  5.58869  0.146267  
1 1 1 12 1  30 o 3.30859  0.146915  10.9778      0.972166 9.39873      1.35978  12.6288      1.39043  3.05582  0.222491  3.54476  0.196125  
1 1 1 12 1  31 o 3.62986  0.134131  13.2132      0.973756 14.4351      1.38747  12.0273      1.36696  3.78925  0.183079  3.45729  0.197692  
1 1 1 12 1  32 o 2.64877  0.177142  7.05884      0.938418 7.27381      1.3311   6.84641      1.32318  2.681    0.248247  2.60027  0.254432  
1 1 1 12 1  33 o 1.44307  0.317981  2.21108      0.89302  2.63657      1.27794  1.80501      1.24842  1.56563  0.405123  1.32323  0.420393  
1 1 1 12 1  34 o 1.05367  0.369584  1.03876      0.965791 0.243213     1.35963  1.84899      1.37212  0.97891  0.410837  1.34225  0.441609  
1 1 1 12 1  35 o 2.76235  0.187643  7.72016      1.03667  6.34715      1.44215  9.1882       1.49122  2.48428  0.290255  3.00009  0.248529  
1 1 1 12 1  36 o 1.19257  0.374097  1.49607      0.991725 1.04802      1.38823  1.96305      1.41724  1.13943  0.435693  1.36505  0.448811  
1 1 1 12 1  37 o 1.37695  0.399796  2.08152      1.16575  0.827527     1.63253  3.3862       1.6652   1.14142  0.461324  1.72698  0.469746  
1 1 1 12 1  38 o 2.66618  0.191518  7.25144      1.02124  7.57359      1.43622  6.92198      1.45242  2.69996  0.26597   2.57521  0.282001  
1 1 1 12 1  39 o 2.2929   0.243824  5.45318      1.11813  5.95099      1.57739  4.95043      1.58519  2.35734  0.334571  2.09956  0.392069  
1 1 1 12 1  40 o 2.49737  0.216841  6.45704      1.08306  6.77331      1.52448  6.13472      1.53899  2.51746  0.302781  2.38551  0.322569  
1 1 1 12 1  41 o 0.889939 0.361959  0.515396     1.01308  1.26447      1.42347  -0.253439    1.44213  1.13876  0.439723  0.878638 0.394359  
1 1 1 12 1  42 o 1.84352  0.286785  3.70999      1.05739  2.79343      1.49243  4.63381      1.49833  1.47744  0.458013  1.96651  0.394865  
1 1 1 12 1  43 o 1.38518  0.362751  2.33262      1.01683  3.04934      1.43634  1.61256      1.43969  1.52345  0.444242  1.1649   0.4442    
1 1 1 12 1  44 o 1.03524  0.387443  1.30717      1.081    2.25158      1.52421  0.351365     1.53337  1.25252  0.461759  0.914427 0.408624  
1 1 1 12 1  45 o 0.823361 0.362762  0.396296     1.15931  1.63692      1.70831  -0.66283     1.57841  1.07705  0.456661  0.778242 0.370763  
1 1 1 12 1  46 o 1.34077  0.427581  2.92792      1.29057  3.24809      1.86943  2.63639      1.78387  1.25619  0.499012  1.16485  0.478116  
1 1 1 12 1  47 o 0.884033 0.423691  1.49024      2.13817  3.05101      3.01539  -0.0881497   3.03236  0.956018 0.468123  0.823139 0.414181  
1 1 1 12 1  48 o 0.682229 0.342155  -0.538843    2.03202  -0.210898    2.77693  -0.916853    2.98137  0.719684 0.366508  ?        ?         
1 1 1 12 2  0  o 31.7847  0.297133  1011.4       18.8848  1011.4       18.8848  1011.4       18.8848  31.7935  0.210026  ?        ?         
1 1 1 12 2  1  o 35.839   0.236844  1285.84      16.9765  1280.18      23.9166  1291.6       24.1013  35.7399  0.334593  35.8986  0.335686  
1 1 1 12 2  2  o 9.27158  0.0663981 85.9697      1.23123  86.3515      1.67482  85.5208      1.8162   9.29179  0.0901239 9.24684  0.0982065 
1 1 1 12 2  3  o 9.23259  0.0649407 85.2481      1.19914  83.0807      1.62395  87.8467      1.77821  9.11411  0.0890901 9.37178  0.0948703 
1 1 1 12 2  4  o 8.16721  0.0590989 66.7082      0.965346 66.2522      1.35821  67.1738      1.37231  8.13894  0.083439  8.19534  0.0837249 
1 1 1 12 2  5  o 39.6543  0.26487   1574.88      21.0065  1569.49      29.2905  1580.6       30.1432  39.5566  0.370235  39.6932  0.379702  
1 1 1 12 2  6  f 27.3222  0.181181  747.062      9.90052  746.608      13.9919  747.517      14.011   27.3035  0.256229  27.3201  0.256423  
1 1 1 12 2  7  o 14.7204  0.0995029 216.74       2.92944  213.225      4.08137  220.476      4.2072   14.5988  0.139784  14.8449  0.141706  
1 1 1 12 2  8  o 37.4765  0.247918  1406.62      18.5822  1413.04      26.3963  1400.31      26.1637  37.5329  0.351642  37.3638  0.35012   
1 1 1 12 2  9  o 9.00647  0.0748213 81.1281      1.34775  78.9684      1.88783  83.373       1.92472  8.88513  0.106236  9.12958  0.105411  
1 1 1 12 2  10 o 14.2949  0.105686  204.404      3.02155  202.58       4.28791  206.202      4.25847  14.2288  0.150678  14.3555  0.148321  
1 1 1 12 2  11 o 6.99726  0.0647177 48.9673      0.905694 49.6459      1.26814  48.261       1.29394  7.0452   0.0900006 6.94618  0.09314   
1 1 1 12 2  12 o 9.95326  0.0849957 99.0872      1.69197  97.149       2.3526   101.164      2.43515  9.85448  0.119367  10.056   0.12108   
1 1 1 12 2  13 o 4.23361  0.0676231 17.9256      0.57258  17.0327      0.794234 18.8918      0.826212 4.12657  0.0962341 4.34596  0.0950552 
1 1 1 12 2  14 o 9.90543  0.07897   98.1325      1.56447  97.5832      2.2051   98.6892      2.21995  9.87691  0.111629  9.93272  0.111749  
1 1 1 12 2  15 o 3.47762  0.082215  12.0957      0.571825 11.1902      0.784815 13.1204      0.834868 3.34463  0.117325  3.62165  0.115261  
1 1 1 12 2  16 o 13.8424  0.10791   191.654      2.98747  195.223      4.29098  188.296      4.16183  13.9692  0.153588  13.7192  0.151679  
1 1 1 12 2  17 o 5.27765  0.07261   27.8558      0.76642  27.6239      1.08243  28.089       1.08534  5.25541  0.102982  5.29947  0.102401  
1 1 1 12 2  18 o 2.46852  0.123491  6.09499      0.609681 6.10061      0.887171 6.08995      0.839261 2.46934  0.179637  2.46725  0.170081  
1 1 1 12 2  19 o 5.96245  0.0762771 35.5539      0.909597 34.8143      1.30798  36.2467      1.26578  5.8998   0.11085   6.02001  0.105131  
1 1 1 12 2  20 o 10.4027  0.0948096 108.233      1.97254  115.105      2.78193  101.284      2.79733  10.7271  0.129669  10.0622  0.139001  
1 1 1 12 2  21 o 1.01119  0.326297  0.993937     0.749958 1.62423      1.07689  0.400376     1.04503  1.2711   0.388056  0.925816 0.371194  
1 1 1 12 2  22 o 6.37469  0.0961085 40.645       1.22532  39.7839      1.73563  41.5008      1.73013  6.30611  0.137615  6.44081  0.13431   
1 1 1 12 2  23 o 3.43911  0.14709   11.8341      1.01172  12.0369      1.4362   11.6343      1.42543  3.46748  0.207096  3.40896  0.20907   
1 1 1 12 2  24 o 9.2128   0.102985  84.9034      1.89757  83.5608      2.65121  86.3136      2.71714  9.13819  0.145062  9.28744  0.14628   
1 1 1 12 2  25 o 3.77244  0.155059  14.2451      1.1699   15.6798      1.64958  12.7932      1.65944  3.95627  0.208476  3.57283  0.232231  
1 1 1 12 2  26 o 4.75011  0.129725  22.5832      1.23241  22.9046      1.75496  22.2704      1.73107  4.78172  0.183507  4.71506  0.183569  
1 1 1 12 2  27 o 2.80172  0.190199  7.86777      1.06577  6.25589      1.5449   9.33147      1.47218  2.49346  0.30979   3.04901  0.241419  
1 1 1 12 2  28 o 7.08345  0.100872  50.2173      1.42904  50.1693      1.9808   50.2693      2.06368  7.07728  0.139941  7.08385  0.145661  
1 1 1 12 2  29 o 5.66287  0.10323   32.1051      1.16916  32.3885      1.674    31.8351      1.63361  5.68444  0.147244  5.63587  0.144929  
1 1 1 12 2  30 o 1.88655  0.239521  3.58637      0.903735 3.62173      1.27755  3.55095      1.27859  1.85771  0.356574  1.83824  0.360633  
1 1 1 12 2  31 o 3.24688  0.145468  10.578       0.944634 11.2065      1.34607  9.96812      1.32599  3.33664  0.20171   3.14595  0.210746  
1 1 1 12 2  32 o 2.55307  0.178001  6.55889      0.908897 6.48116      1.2827   6.63727      1.28807  2.52986  0.253511  2.5604   0.251537  
1 1 1 12 2  33 o 1.21343  0.346076  1.55255      0.881193 2.44792      1.25364  0.678156     1.23888  1.50994  0.406191  1.03432  0.407691  
1 1 1 12 2  34 o 3.2782   0.161552  10.8268      1.0592   10.0604      1.49055  11.6085      1.50543  3.14687  0.236829  3.38345  0.22247   
1 1 1 12 2  35 o 2.79268  0.185501  7.88988      1.03609  8.00626      1.46674  7.77396      1.46376  2.79684  0.262214  2.75513  0.265643  
1 1 1 12 2  36 o 1.67782  0.305265  2.99523      0.9865   3.50574      1.42392  2.52402      1.368    1.78526  0.407599  1.51407  0.431004  
1 1 1 12 2  37 o 0.654817 0.309835  -1.19222     1.08562  -2.74756     1.48056  0.61644      1.59659  0.665427 0.326452  1.09439  0.451284  
1 1 1 12 2  38 o 3.04834  0.173449  9.44798      1.05746  10.9989      1.48721  7.86207      1.50389  3.26952  0.227436  2.74699  0.273734  
1 1 1 12 2  39 o 1.16329  0.388014  1.44961      1.05928  1.86593      1.48688  1.02053      1.50948  1.3111   0.458698  1.12956  0.448501  
1 1 1 12 2  40 f 1.07071  0.385779  1.15858      1.05858  0.485335     1.51786  1.79616      1.4771   1.02156  0.431657  1.27937  0.456223  
1 1 1 12 2  41 o 2.24421  0.236186  5.28279      1.0601   6.04895      1.52793  4.57165      1.47205  2.35333  0.324632  1.99087  0.383382  
1 1 1 12 2  42 o 2.97179  0.190621  9.19438      1.13297  10.6247      1.64811  7.91289      1.56003  3.13895  0.262526  2.68729  0.290261  
1 1 1 12 2  43 o 0.856628 0.355829  0.493591     1.00352  0.912749     1.43419  0.0915175    1.40466  1.0235   0.42528   0.883643 0.393083  
1 1 1 12 2  44 o 0.973089 0.381486  1.07016      1.07983  1.44063      1.54171  0.7134       1.51291  1.08482  0.444743  0.960788 0.418919  
1 1 1 12 2  45 o 2.84952  0.212152  8.94697      1.20906  11.4478      1.75883  6.70643      1.66479  3.11413  0.282395  2.26685  0.367203  
1 1 1 12 2  46 o 0.75374  0.348001  0.0487846    1.23067  0.567311     1.7343   -0.477133    1.74662  0.883341 0.40985   0.788478 0.379111  
1 1 1 12 2  47 f 0.850473 0.407159  1.118        1.96096  1.57643      2.62766  0.54177      2.94598  0.88386  0.434026  0.84028  0.419948  
1 1 1 12 2  48 o 0.67994  0.341308  -0.580048    2.0267   1.03898      2.76293  -2.46593     2.98195  0.758605 0.382896  ?        ?         
1 1 1 12 3  0  o 16.6577  0.156965  277.621      5.22831  277.621      5.22831  277.621      5.22831  16.6598  0.110966  ?        ?         
1 1 1 12 3  1  o 16.6144  0.115478  276.113      3.83721  275.717      5.30053  276.55       5.5622   16.6004  0.159651  16.625   0.167284  
1 1 1 12 3  2  o 14.6584  0.100036  214.914      2.93274  212.323      4.10111  217.625      4.19555  14.5683  0.140754  14.749   0.142232  
1 1 1 12 3  3  o 24.3025  0.164583  590.948      7.99958  592.992      11.3558  588.935      11.2709  24.3374  0.2333    24.2541  0.232351  
1 1 1 12 3  4  o 11.3629  0.0790849 129.134      1.79727  128.857      2.4866   129.437      2.60069  11.35    0.109542  11.3754  0.114312  
1 1 1 12 3  5  o 14.4461  0.0972871 208.734      2.81084  207.681      3.95717  209.806      3.99332  14.4081  0.137325  14.4816  0.137876  
1 1 1 12 3  6  o 37.0805  0.250506  1376.96      18.5777  1379.5       25.7579  1374.21      26.82    37.0892  0.347242  37.0135  0.3623    
1 1 1 12 3  7  o 24.4472  0.162457  598.046      7.94324  597.787      11.2263  598.305      11.2406  24.434   0.229726  24.4446  0.22992   
1 1 1 12 3  8  o 31.4253  0.212533  988.661      13.3578  989.059      18.9018  988.263      18.8798  31.4136  0.300854  31.401   0.300624  
1 1 1 12 3  9  o 8.39667  0.0709901 70.5132      1.19216  70.7066      1.70765  70.3293      1.66509  8.4076   0.101554  8.38518  0.0992877 
1 1 1 12 3  10 f 9.71032  0.0739928 94.3042      1.43699  95.9346      2.0628   92.7669      2.00294  9.79317  0.105318  9.63016  0.103993  
1 1 1 12 3  11 o 5.86706  0.0642773 34.4263      0.754238 31.9427      1.04605  37.1157      1.08853  5.65112  0.0925521 6.0916   0.0893466 
1 1 1 12 3  12 o 8.92233  0.0762545 79.6205      1.36074  75.7989      1.86635  83.9573      1.98817  8.70489  0.107201  9.16135  0.108509  
1 1 1 12 3  13 o 11.8018  0.0886146 139.31       2.09162  137.295      2.91899  141.436      2.99861  11.715   0.124584  11.8903  0.126095  
1 1 1 12 3  14 o 6.28043  0.0686735 39.4483      0.862599 38.0943      1.194    40.9265      1.24756  6.17136  0.0967375 6.39664  0.0975165 
1 1 1 12 3  15 o 5.73879  0.0685612 32.9372      0.786917 32.4566      1.08406  33.4725      1.14411  5.69649  0.0951512 5.7849   0.0988876 
1 1 1 12 3  16 o 22.5034  0.156703  506.621      7.0527   506.89       9.87315  506.341      10.0781  22.5045  0.21936   22.4919  0.224038  
1 1 1 12 3  17 o 7.60908  0.0708041 57.9024      1.07751  58.1035      1.52914  57.7042      1.51857  7.62198  0.100311  7.59575  0.0999616 
1 1 1 12 3  18 o 20.101   0.13859   404.167      5.5716   406.78       8.01209  401.719      7.75314  20.1628  0.198685  20.0373  0.193468  
1 1 1 12 3  19 o 13.5777  0.100476  184.381      2.72845  179.983      3.82858  188.92       3.88936  13.4136  0.142712  13.7427  0.141507  
1 1 1 12 3  20 o 9.1665   0.080983  84.0348      1.48466  83.9978      2.12504  84.07        2.07511  9.1639   0.115946  9.16789  0.113173  
1 1 1 12 3  21 f 10.7926  0.0906178 116.501      1.95601  117.163      2.84614  115.908      2.69267  10.8222  0.131495  10.7643  0.125074  
1 1 1 12 3  22 o 12.4395  0.110929  154.785      2.7598   152.441      3.92023  157.088      3.88589  12.3432  0.158801  12.53    0.155063  
1 1 1 12 3  23 o 3.24995  0.15347   10.5688      0.997538 9.82821      1.42963  11.2714      1.39256  3.13282  0.22817   3.35537  0.207513  
1 1 1 12 3  24 f 14.7397  0.128394  217.371      3.78497  220.52       5.43588  214.407      5.27333  14.8421  0.183124  14.6352  0.18016   
1 1 1 12 3  25 o 11.5002  0.109965  132.321      2.52923  131.393      3.43586  133.419      3.73682  11.4572  0.149943  11.5443  0.161847  
1 1 1 12 3  26 o 5.55747  0.116612  30.9078      1.29613  32.4235      1.89644  29.5792      1.77555  5.69     0.166647  5.43485  0.163348  
1 1 1 12 3  27 o 8.97771  0.098741  80.6505      1.77294  82.1833      2.55276  79.2221      2.4642   9.05956  0.140888  8.89505  0.138516  
1 1 1 12 3  28 o 5.04814  0.115061  25.5124      1.16169  27.5029      1.6799   23.6883      1.60819  5.23857  0.16034   4.86138  0.165404  
1 1 1 12 3  29 o 2.59798  0.184458  6.77471      0.958438 7.24397      1.37979  6.33718      1.33233  2.68174  0.257256  2.50768  0.265649  
1 1 1 12 3  30 o 2.39733  0.196302  5.77744      0.941205 5.98507      1.35879  5.58594      1.30497  2.43353  0.279181  2.35113  0.27752   
1 1 1 12 3  31 o 4.57353  0.113785  20.9614      1.0408   22.0102      1.49761  19.9816      1.4475   4.68165  0.159944  4.46041  0.162261  
1 1 1 12 3  32 o 3.05801  0.155025  9.3962       0.948137 10.4908      1.35619  8.34971      1.32606  3.22482  0.210273  2.87444  0.230664  
1 1 1 12 3  33 o 3.22288  0.149532  10.4415      0.963848 10.7076      1.36863  10.1796      1.35761  3.25543  0.210207  3.17358  0.213893  
1 1 1 12 3  34 o 1.35265  0.357157  1.96524      0.980607 1.33513      1.37727  2.61309      1.39651  1.21318  0.439743  1.55091  0.433548  
1 1 1 12 3  35 o 5.37063  0.121283  28.9897      1.30273  30.4528      1.92263  27.7478      1.77133  5.48925  0.175127  5.2417   0.168966  
1 1 1 12 3  36 o 3.23956  0.164914  10.6028      1.06849  9.5587       1.54811  11.5527      1.47658  3.05463  0.253404  3.36828  0.219189  
1 1 1 12 3  37 o 0.897976 0.368696  0.376375     1.06114  0.652037     1.51239  0.109092     1.48923  1.07854  0.44105   0.978576 0.420989  
1 1 1 12 3  38 f 2.48705  0.21006   6.33999      1.04486  5.66674      1.46839  7.03049      1.48708  2.31515  0.317127  2.59149  0.286917  
1 1 1 12 3  39 o 2.06351  0.264494  4.44885      1.09157  4.26553      1.51313  4.64779      1.57622  1.93732  0.403792  2.0253   0.403438  
1 1 1 12 3  40 o 2.43555  0.22025   6.14922      1.07286  4.22372      1.51343  8.09424      1.52109  1.91001  0.408129  2.76716  0.274847  
1 1 1 12 3  41 o 1.00855  0.378119  0.979519     1.03049  0.742794     1.47073  1.20781      1.44429  1.04423  0.432078  1.12941  0.441515  
1 1 1 12 3  42 o 1.83336  0.29358   3.69312      1.07647  4.747        1.56855  2.75484      1.48003  1.97283  0.411064  1.4642   0.45655   
1 1 1 12 3  43 o 1.13035  0.375404  1.54153      0.991553 2.5812       1.42405  0.563129     1.38145  1.39484  0.449585  0.950855 0.407141  
1 1 1 12 3  44 o 1.53908  0.360132  3.0048       1.09     3.99972      1.56064  2.05725      1.52304  1.67315  0.454605  1.2039   0.457516  
1 1 1 12 3  45 o 1.48221  0.387854  3.05813      1.16301  2.78419      1.66055  3.32189      1.62938  1.27881  0.479882  1.40411  0.48123   
1 1 1 12 3  46 f 1.0702   0.414079  1.86094      1.26361  2.31408      1.82443  1.44317      1.7518   1.10219  0.46978   0.983557 0.438211  
1 1 1 12 3  47 o 0.718772 0.354049  -0.537625    1.7804   0.377616     2.56144  -1.39313     2.47644  0.819358 0.40694   0.739816 0.372268  
1 1 1 12 4  0  o 53.5955  0.512467  2881.04      54.9205  2881.04      54.9205  2881.04      54.9205  53.6348  0.362065  ?        ?         
1 1 1 12 4  1  o 28.9415  0.197831  838.29       11.451   833.495      16.2865  842.978      16.1035  28.8461  0.2823    29.0106  0.277544  
1 1 1 12 4  2  o 8.62183  0.0618703 74.3419      1.06687  73.8418      1.51819  74.8298      1.49955  8.59241  0.0883448 8.64973  0.0866818 
1 1 1 12 4  3  o 18.6372  0.126603  347.465      4.71907  348.565      6.6961   346.38       6.65166  18.6633  0.179392  18.6048  0.178762  
1 1 1 12 4  4  o 17.8523  0.119153  318.805      4.25432  318.466      6.01473  319.144      6.01831  17.8399  0.168575  17.8589  0.168496  
1 1 1 12 4  5  o 25.8092  0.172942  666.57       8.92699  665.175      12.4605  668.04       12.7955  25.7736  0.241729  25.8282  0.247705  
1 1 1 12 4  6  o 36.8287  0.248938  1358.34      18.3362  1352.99      25.2812  1364.28      26.6341  36.7312  0.344138  36.8789  0.361103  
1 1 1 12 4  7  o 12.0058  0.0832929 144.164      2        145.469      2.82185  142.847      2.83505  12.059   0.117001  11.9498  0.118624  
1 1 1 12 4  8  o 15.0244  0.106306  225.798      3.19437  228.45       4.56638  223.256      4.4702   15.1102  0.151103  14.9375  0.14963   
1 1 1 12 4  9  o 13.2306  0.0992658 175.095      2.6267   174.353      3.69869  175.85       3.73095  13.2009  0.140092  13.2574  0.140712  
1 1 1 12 4  10 o 6.53261  0.0583472 42.6789      0.762318 43.1014      1.0817   42.2621      1.0745   6.56456  0.082389  6.50033  0.0826499 
1 1 1 12 4  11 o 16.1527  0.130504  261.034      4.21598  261.385      6.14847  260.723      5.79207  16.1592  0.190246  16.1397  0.179436  
1 1 1 12 4  12 o 14.4647  0.109673  209.295      3.17278  209.017      4.37459  209.605      4.60852  14.453   0.151339  14.4728  0.159213  
1 1 1 12 4  13 o 11.0218  0.0823244 121.501      1.81473  119.341      2.5806   123.613      2.55245  10.9224  0.118133  11.1163  0.114807  
1 1 1 12 4  14 f 8.99185  0.0775416 80.865       1.39449  80.9773      2.00379  80.7595      1.94187  8.99739  0.111354  8.98536  0.108057  
1 1 1 12 4  15 o 12.6161  0.0939191 159.195      2.36978  162.813      3.37469  155.675      3.32854  12.7574  0.132264  12.4746  0.133413  
1 1 1 12 4  16 f 10.2601  0.0845794 105.282      1.73558  105.262      2.34909  105.306      2.57548  10.2586  0.114494  10.2605  0.125505  
1 1 1 12 4  17 o 14.907   0.105386  222.253      3.14198  224.479      4.48834  220.114      4.39985  14.9801  0.14981   14.8338  0.148305  
1 1 1 12 4  18 o 21.9822  0.150418  483.381      6.61307  486.032      9.50392  480.894      9.2077   22.0384  0.215622  21.922   0.210011  
1 1 1 12 4  19 o 9.53683  0.0805054 90.9604      1.53553  91.6964      2.2137   90.2778      2.13176  9.5748   0.1156    9.50051  0.112192  
1 1 1 12 4  20 o 13.6268  0.100697  185.726      2.74436  181.75       3.81497  189.989      3.95083  13.4789  0.141516  13.781   0.143344  
1 1 1 12 4  21 o 9.12226  0.0851092 83.2282      1.55278  83.917       2.21923  82.5676      2.1734   9.1592   0.121148  9.0853   0.119611  
1 1 1 12 4  22 o 9.47438  0.0980151 89.7837      1.85726  89.2232      2.59291  90.3743      2.66158  9.44374  0.137282  9.50438  0.140018  
1 1 1 12 4  23 o 16.3701  0.127388  268.099      4.17073  272.087      6.13477  264.672      5.68722  16.4873  0.186046  16.262   0.174863  
1 1 1 12 4  24 o 2.02947  0.279922  4.12909      1.13618  4.0644       1.65852  4.1863       1.55965  1.97159  0.432406  2.00556  0.403011  
1 1 1 12 4  25 f 8.08472  0.101802  65.3921      1.64609  63.5798      2.20005  67.697       2.48102  7.97035  0.138015  8.2237   0.150846  
1 1 1 12 4  26 o 6.78452  0.104902  46.0572      1.42342  46.2651      2.02733  45.8551      1.99902  6.79776  0.149117  6.76765  0.147689  
1 1 1 12 4  27 o 4.73519  0.119637  22.4435      1.13301  24.7075      1.64819  20.4151      1.56008  4.96603  0.165946  4.51374  0.172814  
1 1 1 12 4  28 o 4.77425  0.117648  22.8212      1.12337  23.4262      1.62237  22.264       1.557    4.83406  0.167806  4.71281  0.165188  
1 1 1 12 4  29 o 3.87528  0.129744  15.046       1.00559  16.5189      1.44409  13.6595      1.40113  4.05717  0.177968  3.68845  0.189934  
1 1 1 12 4  30 o 2.22835  0.209351  4.99568      0.933014 6.51981      1.34227  3.57084      1.29781  2.54112  0.26411   1.84209  0.365252  
1 1 1 12 4  31 o 3.57251  0.134748  12.8015      0.96278  11.9809      1.3617   13.6218      1.36145  3.45006  0.197344  3.68019  0.18497   
1 1 1 12 4  32 o 4.19141  0.121514  17.6202      1.01863  18.6575      1.48041  16.6876      1.40376  4.30668  0.171874  4.07292  0.172328  
1 1 1 12 4  33 o 0.713991 0.316212  -0.275273    0.896495 0.303503     1.28139  -0.830184    1.2547   0.969269 0.402319  0.776812 0.35568   
1 1 1 12 4  34 o 2.89038  0.176245  8.43029      1.01883  7.90286      1.43747  8.96271      1.44425  2.78433  0.258135  2.96832  0.243277  
1 1 1 12 4  35 o 4.6795   0.132175  22.0319      1.23703  21.4813      1.78512  22.5406      1.71579  4.60433  0.193852  4.72023  0.181748  
1 1 1 12 4  36 o 0.827649 0.348008  0.160466     0.978619 1.00251      1.43352  -0.574472    1.33924  1.13771  0.440867  0.834013 0.376884  
1 1 1 12 4  37 o 0.612371 0.29278   -1.26008     1.00545  -1.30625     1.39441  -1.21007     1.45111  0.758567 0.356377  0.788814 0.369274  
1 1 1 12 4  38 o 1.66819  0.324865  3.03437      1.0452   3.32522      1.47263  2.73914      1.4837   1.70315  0.431595  1.54416  0.451899  
1 1 1 12 4  39 o 0.739369 0.33575   -0.471895    1.07806  1.33684      1.50761  -2.36455     1.54218  1.19219  0.454571  0.705802 0.343308  
1 1 1 12 4  40 o 0.814151 0.350911  0.0837448    1.03844  0.545156     1.48409  -0.358854    1.45352  1.02334  0.429344  0.87574  0.394353  
1 1 1 12 4  41 o 1.20519  0.383187  1.66021      1.03707  -0.383535    1.47048  3.68274      1.46283  0.868716 0.393617  1.75657  0.421201  
1 1 1 12 4  42 o 1.72878  0.316371  3.40674      1.05316  3.81443      1.50726  3.01784      1.47214  1.74136  0.433866  1.53352  0.450568  
1 1 1 12 4  43 o 0.599095 0.286656  -1.02344     0.968623 -0.881794    1.38282  -1.15989     1.35722  0.753391 0.354221  0.717625 0.342399  
1 1 1 12 4  44 o 0.764565 0.342843  0.0183999    1.08774  -0.120502    1.54069  0.15644      1.5359   0.851973 0.391782  0.88453  0.401425  
1 1 1 12 4  45 o 1.34714  0.398792  2.61552      1.14912  4.06121      1.64683  1.2437       1.60421  1.56966  0.480017  0.999334 0.433503  
1 1 1 12 4  46 f 0.700643 0.33315   -0.45255     1.26896  1.6186       1.90699  -2.09841     1.69996  1.00279  0.451623  0.66747  0.331506  
1 1 1 12 4  47 o 0.906392 0.411203  1.65575      1.60976  2.55058      2.09348  0.361284     2.51793  0.971089 0.45046   0.819499 0.406487  
1 1 1 12 5  0  o 34.6244  0.324087  1200.5       22.4382  1200.5       22.4382  1200.5       22.4382  34.6362  0.229064  ?        ?         
1 1 1 12 5  1  o 12.237   0.0842251 149.768      2.06133  147.257      2.8699   152.444      2.96264  12.1331  0.118267  12.3449  0.119994  
1 1 1 12 5  2  o 26.7926  0.189753  718.404      10.1679  719.062      14.7525  717.809      14.0337  26.7931  0.275304  26.7718  0.262098  
1 1 1 12 5  3  o 27.3479  0.191341  748.512      10.4655  755.949      15.1198  741.672      14.5007  27.4713  0.275192  27.2121  0.266438  
1 1 1 12 5  4  o 45.1866  0.305604  2046.14      27.6184  2049.48      39.138   2042.83      38.9792  45.1743  0.433189  45.1014  0.432128  
1 1 1 12 5  5  o 13.4039  0.0907024 179.698      2.43153  182.39       3.48357  177.141      3.39551  13.5025  0.128997  13.3069  0.127585  
1 1 1 12 5  6  o 6.48652  0.0537939 42.0779      0.697871 41.3938      0.964893 42.8284      1.01057  6.43336  0.0749914 6.54387  0.0772149 
1 1 1 12 5  7  o 13.4232  0.0922266 180.221      2.47596  179.573      3.45348  180.906      3.55165  13.3977  0.128883  13.4472  0.132059  
1 1 1 12 5  8  o 15.5534  0.114067  241.988      3.54824  240.809      4.93587  243.249      5.10432  15.513   0.159089  15.5911  0.163694  
1 1 1 12 5  9  o 7.77173  0.0669025 60.407       1.0399   60.1504      1.43218  60.6931      1.51237  7.75479  0.0923413 7.78961  0.0970765 
1 1 1 12 5  10 o 6.64258  0.0624631 44.1286      0.829832 43.5156      1.1485   44.7981      1.20033  6.59595  0.087061  6.69241  0.0896789 
1 1 1 12 5  11 o 8.00947  0.0738781 64.1615      1.18345  64.0593      1.64191  64.2719      1.70731  8.00252  0.102587  8.0157   0.106498  
1 1 1 12 5  12 o 5.30465  0.0611333 28.1421      0.648582 28.6073      0.917213 27.6769      0.917253 5.34806  0.0857519 5.26035  0.0871856 
1 1 1 12 5  13 o 17.2531  0.120222  297.775      4.14841  298.682      5.88164  296.878      5.85195  17.2762  0.170224  17.2239  0.169879  
1 1 1 12 5  14 o 7.56953  0.0738448 57.3051      1.11794  58.0928      1.61534  56.5811      1.54878  7.62084  0.105982  7.52109  0.102962  
1 1 1 12 5  15 f 5.90653  0.0705631 34.8906      0.833567 35.2042      1.16748  34.5645      1.19054  5.93273  0.0983932 5.87854  0.101262  
1 1 1 12 5  16 o 2.21738  0.124555  4.91802      0.552369 4.56222      0.784872 5.26719      0.777516 2.13533  0.183782  2.29448  0.169432  
1 1 1 12 5  17 o 12.8189  0.0937231 164.346      2.40286  165.879      3.42709  162.864      3.36995  12.8777  0.133063  12.7602  0.13205   
1 1 1 12 5  18 o 20.0261  0.13844   401.16       5.54482  398.964      7.88733  403.306      7.79658  19.9681  0.197498  20.0767  0.19417   
1 1 1 12 5  19 o 17.83    0.126381  317.991      4.50674  320.165      6.41809  315.876      6.32982  17.8884  0.179392  17.7683  0.178121  
1 1 1 12 5  20 o 22.3983  0.154254  501.915      6.91004  499.936      9.84731  503.835      9.69892  22.3487  0.220311  22.436   0.216146  
1 1 1 12 5  21 o 2.50211  0.158384  6.26391      0.792591 6.54792      1.16348  6.01798      1.08267  2.55748  0.227466  2.45188  0.220783  
1 1 1 12 5  22 o 6.35562  0.0987911 40.4032      1.25576  40.1315      1.77425  40.6759      1.77757  6.33347  0.140069  6.37629  0.139389  
1 1 1 12 5  23 o 6.02712  0.097538  36.3357      1.17575  35.8857      1.69284  36.7551      1.63422  5.9888   0.141334  6.06106  0.134813  
1 1 1 12 5  24 o 3.93605  0.156494  15.5051      1.23194  16.9414      1.85469  14.3711      1.64801  4.1125   0.225494  3.78793  0.217534  
1 1 1 12 5  25 o 5.70759  0.11317   32.5952      1.29186  31.7894      1.79011  33.471       1.86619  5.63499  0.158839  5.782    0.16138   
1 1 1 12 5  26 o 5.04984  0.12236   25.5222      1.23579  26.1161      1.73902  24.9162      1.75646  5.10629  0.170282  4.98732  0.176092  
1 1 1 12 5  27 o 2.03621  0.250353  4.16401      1.01954  5.40001      1.45078  2.95798      1.43308  2.31589  0.313222  1.67704  0.426225  
1 1 1 12 5  28 o 3.31314  0.152032  11.0001      1.00741  10.5601      1.42937  11.4344      1.42006  3.24244  0.220416  3.37466  0.2104    
1 1 1 12 5  29 o 1.78448  0.257545  3.20831      0.919166 4.06861      1.32055  2.3998       1.28018  2.00474  0.329358  1.51002  0.412385  
1 1 1 12 5  30 o 5.76665  0.101931  33.3029      1.1756   31.4525      1.64316  35.2432      1.68264  5.59974  0.146718  5.92816  0.141919  
1 1 1 12 5  31 o 6.31635  0.0968131 39.9602      1.22301  39.5126      1.74031  40.3971      1.71909  6.27552  0.138658  6.34585  0.13545   
1 1 1 12 5  32 o 3.04723  0.155092  9.33119      0.945201 8.64444      1.35087  9.98991      1.323    2.92435  0.230969  3.1466   0.210227  
1 1 1 12 5  33 o 2.8766   0.1711    8.3341       0.984372 7.55195      1.38935  9.12251      1.39489  2.72654  0.254783  3.00061  0.232435  
1 1 1 12 5  34 o 4.27477  0.129771  18.3651      1.10948  17.4485      1.58135  19.2537      1.55702  4.15497  0.190296  4.36745  0.178253  
1 1 1 12 5  35 o 4.42927  0.13482   19.7462      1.19431  17.6343      1.71361  21.741       1.66544  4.16771  0.205582  4.63587  0.179625  
1 1 1 12 5  36 o 1.08961  0.372899  1.17536      0.978365 1.82771      1.41062  0.570686     1.3581   1.32684  0.447762  1.03033  0.419077  
1 1 1 12 5  37 o 3.42735  0.15728   11.8912      1.07811  11.1427      1.50759  12.6746      1.54235  3.29579  0.228715  3.51867  0.219167  
1 1 1 12 5  38 o 1.8697   0.297804  3.67422      1.11361  3.53149      1.6683   3.78893      1.49557  1.7399   0.468813  1.82535  0.418397  
1 1 1 12 5  39 o 2.33516  0.233337  5.6486       1.08976  6.7665       1.5391   4.52471      1.54321  2.52484  0.304791  1.99704  0.400493  
1 1 1 12 5  40 o 2.17388  0.247334  4.94571      1.07535  5.76598      1.58199  4.24116      1.46616  2.29986  0.343932  1.922    0.394968  
1 1 1 12 5  41 o 1.52408  0.350433  2.65815      1.04651  3.6913       1.4998   1.67786      1.46093  1.75195  0.430533  1.23403  0.452351  
1 1 1 12 5  42 o 2.18724  0.246912  5.12888      1.08011  4.93506      1.52548  5.32373      1.52955  2.02717  0.390183  2.15249  0.355297  
1 1 1 12 5  43 f 0.776335 0.337919  0.150206     0.981038 -0.724476    1.41435  0.961247     1.36193  0.777852 0.364218  1.01505  0.417386  
1 1 1 12 5  44 o 1.54893  0.3729    3.10143      1.14303  4.22834      1.59188  1.90205      1.64226  1.71859  0.455645  1.16756  0.466482  
1 1 1 12 5  45 o 0.892757 0.377894  0.84673      1.16665  1.37849      1.68597  0.358173     1.61604  1.01728  0.442897  0.878781 0.402907  
1 1 1 12 5  46 o 1.19658  0.435462  2.50018      1.35176  1.85696      1.97424  3.06786      1.8547   1.0246   0.460588  1.20681  0.490115  
1 1 1 12 5  47 o 0.552566 0.279864  -3.13883     1.55392  -4.32703     2.17101  -1.89063     2.22515  ?        ?         0.702252 0.353363  
1 1 1 12 6  0  o 33.1013  0.310225  1097.14      20.5336  1097.14      20.5336  1097.14      20.5336  33.1121  0.219269  ?        ?         
1 1 1 12 6  1  o 15.1335  0.103564  229.078      3.13456  228.003      4.41381  230.172      4.45233  15.0962  0.14619   15.1678  0.146769  
1 1 1 12 6  2  o 50.3467  0.347961  2541.61      35.0373  2533.23      49.3837  2550.09      49.7186  50.1948  0.49192   50.3606  0.493625  
1 1 1 12 6  3  o 11.3794  0.0818449 129.511      1.86269  130.499      2.68451  128.593      2.5867   11.4218  0.117517  11.3382  0.11407   
1 1 1 12 6  4  o 9.18163  0.0681041 84.3114      1.25061  84.0849      1.82913  84.5102      1.71377  9.16871  0.0997482 9.19201  0.0932207 
1 1 1 12 6  5  o 15.9155  0.106817  253.373      3.40009  253.362      4.80703  253.384      4.80988  15.913   0.151041  15.9137  0.151124  
1 1 1 12 6  6  o 20.2309  0.134876  409.47       5.45733  408.362      7.69952  410.589      7.73629  20.1989  0.190592  20.2539  0.190983  
1 1 1 12 6  7  o 16.5788  0.116343  274.952      3.85765  275.392      5.46244  274.514      5.44868  16.5892  0.164638  16.5628  0.164486  
1 1 1 12 6  8  o 26.7013  0.196642  713.678      10.5012  713.839      15.0477  713.525      14.6618  26.6901  0.281896  26.6856  0.274714  
1 1 1 12 6  9  o 12.3974  0.095054  153.732      2.35684  153.408      3.28492  154.077      3.38342  12.3829  0.13264   12.4097  0.136322  
1 1 1 12 6  10 o 8.56047  0.0729734 73.2924      1.24937  73.1726      1.76319  73.4133      1.77059  8.55284  0.103076  8.56689  0.103339  
1 1 1 12 6  11 o 6.77155  0.0666537 45.8595      0.902697 46.8541      1.26835  44.8386      1.28503  6.84419  0.0926587 6.69531  0.0959648 
1 1 1 12 6  12 o 1.73114  0.123072  2.998        0.426107 2.46177      0.591461 3.57665      0.614407 1.56828  0.18857   1.89055  0.162494  
1 1 1 12 6  13 o 4.9402   0.0630487 24.4079      0.622946 25.3162      0.897698 23.5643      0.865161 5.03102  0.0892162 4.85383  0.0891215 
1 1 1 12 6  14 o 9.99664  0.0826086 99.9486      1.65162  100.443      2.31451  99.436       2.35756  10.0205  0.115488  9.97011  0.118232  
1 1 1 12 6  15 o 3.51908  0.0793198 12.3854      0.558265 12.8124      0.780584 11.9383      0.798742 3.57902  0.10905   3.45474  0.115601  
1 1 1 12 6  16 o 21.5504  0.154012  464.596      6.63806  465.19       9.51298  464.033      9.26711  21.5598  0.220619  21.5334  0.21518   
1 1 1 12 6  17 o 41.5882  0.278847  1731.56      23.1935  1726.87      33.0673  1736.1       32.5403  41.5063  0.398341  41.6189  0.390932  
1 1 1 12 6  18 o 6.05781  0.0724542 36.6999      0.877827 35.5512      1.23619  37.8683      1.24675  5.96199  0.103673  6.15324  0.101308  
1 1 1 12 6  19 o 14.7991  0.108448  219.056      3.20987  221.623      4.6864   216.789      4.40548  14.8839  0.157432  14.721   0.149633  
1 1 1 12 6  20 o 18.0279  0.127093  325.111      4.58246  326.785      6.58031  323.534      6.38523  18.0712  0.182066  17.9813  0.177552  
1 1 1 12 6  21 o 16.3492  0.11833   267.375      3.86918  266.364      5.50983  268.36       5.43465  16.3156  0.168851  16.3768  0.165925  
1 1 1 12 6  22 o 6.46842  0.0987033 41.8503      1.27691  40.1537      1.78709  43.6201      1.82516  6.33516  0.141045  6.60301  0.138207  
1 1 1 12 6  23 o 5.47865  0.102759  30.0247      1.12597  29.1637      1.59716  30.8754      1.5876   5.39865  0.147922  5.55494  0.1429    
1 1 1 12 6  24 o 3.46269  0.16724   12.0018      1.1582   10.9904      1.63895  13.0108      1.63693  3.31164  0.247453  3.60381  0.22711   
1 1 1 12 6  25 o 8.81449  0.0997328 77.7309      1.75819  77.3348      2.44506  78.1549      2.53002  8.79006  0.139081  8.83632  0.14316   
1 1 1 12 6  26 o 4.98215  0.118072  24.8416      1.17651  25.1597      1.63756  24.5021      1.69142  5.01213  0.163359  4.94583  0.170994  
1 1 1 12 6  27 o 1.64181  0.312898  2.80292      0.990522 2.12962      1.39647  3.48466      1.40519  1.44639  0.441967  1.82134  0.396784  
1 1 1 12 6  28 o 5.79705  0.103902  33.6405      1.20465  34.4288      1.69522  32.8364      1.71218  5.86178  0.1446    5.72421  0.149556  
1 1 1 12 6  29 o 5.89764  0.101336  34.8237      1.19529  35.632       1.73873  34.0994      1.64589  5.96186  0.145821  5.8327   0.141091  
1 1 1 12 6  30 o 4.93872  0.109647  24.4331      1.08303  23.0225      1.52902  25.8533      1.53426  4.78938  0.159626  5.07626  0.151121  
1 1 1 12 6  31 f 2.07295  0.213962  4.33162      0.887064 4.67413      1.28036  4.01545      1.23014  2.14519  0.298426  1.98714  0.309527  
1 1 1 12 6  32 o 1.21093  0.346088  1.54092      0.88036  2.09435      1.26928  1.02787      1.2221   1.41052  0.419445  1.11448  0.412971  
1 1 1 12 6  33 o 0.944996 0.359758  0.667429     0.943084 0.132169     1.38105  1.13512      1.29095  0.968287 0.410574  1.15164  0.424904  
1 1 1 12 6  34 o 5.31765  0.112442  28.3854      1.19585  27.9457      1.67808  28.839       1.70462  5.26627  0.159323  5.34978  0.159317  
1 1 1 12 6  35 o 2.98447  0.185095  9.01724      1.10482  9.9682       1.61139  8.17363      1.51772  3.11971  0.25826   2.82216  0.268893  
1 1 1 12 6  36 o 2.78691  0.184551  7.87165      1.02866  8.80644      1.45595  6.93996      1.45353  2.93194  0.248292  2.59432  0.280137  
1 1 1 12 6  37 o 2.05253  0.241677  4.33594      0.992096 4.68812      1.41054  3.99116      1.39565  2.10728  0.334682  1.90267  0.380207  
1 1 1 12 6  38 o 1.64547  0.353698  2.99974      1.13056  4.40807      1.72537  1.94007      1.49663  1.95481  0.450293  1.33781  0.460947  
1 1 1 12 6  39 o 0.786917 0.343071  -0.0401648   1.01443  0.886778     1.42599  -0.989911    1.44342  1.08292  0.433845  0.800269 0.372304  
1 1 1 12 6  40 o 2.66015  0.210919  7.31691      1.12215  6.33251      1.58294  8.31137      1.59102  2.41936  0.327139  2.79773  0.284341  
1 1 1 12 6  41 o 0.905102 0.368894  0.539362     1.05448  -0.473148    1.46105  1.64018      1.52343  0.853449 0.388435  1.2294   0.459977  
1 1 1 12 6  42 o 1.39477  0.373873  2.35356      1.06445  2.41448      1.52985  2.29639      1.48201  1.36781  0.466301  1.341    0.458951  
1 1 1 12 6  43 o 1.13635  0.386025  1.58829      1.04845  1.46109      1.48228  1.71566      1.4832   1.12285  0.444881  1.17495  0.450038  
1 1 1 12 6  44 o 1.02054  0.389485  1.27824      1.10764  1.24599      1.56829  1.31033      1.56461  1.04651  0.440316  1.05715  0.442036  
1 1 1 12 6  45 o 0.681189 0.320181  -0.467581    1.12822  0.351753     1.63304  -1.21578     1.56053  0.875246 0.402849  0.714644 0.346896  
1 1 1 12 6  46 o 0.98824  0.417318  1.60665      1.41724  1.70721      2.06157  1.51653      1.95151  0.992491 0.455054  0.97262  0.444603  
1 1 1 12 6  47 o 0.555722 0.282418  -3.42207     1.62288  -5.07208     2.1516   -1.24445     2.47177  ?        ?         0.752927 0.377507  
1 1 1 12 7  0  o 32.3939  0.310468  1050.79      20.1104  1050.79      20.1104  1050.79      20.1104  32.4048  0.219437  ?        ?         
1 1 1 12 7  1  o 14.5325  0.0996364 211.24       2.89593  210.134      4.07572  212.368      4.1155   14.4927  0.140612  14.5695  0.141236  
1 1 1 12 7  2  o 12.137   0.0859223 147.331      2.08568  146.531      2.93393  148.149      2.96551  12.103   0.121207  12.1696  0.121841  
1 1 1 12 7  3  o 41.3142  0.285585  1710.09      23.5974  1715.43      33.4838  1704.82      33.261   41.3384  0.404996  41.2109  0.403546  
1 1 1 12 7  4  o 8.79272  0.0652814 77.3197      1.148    80.4808      1.68047  74.5535      1.57199  8.97017  0.0936698 8.63358  0.0910394 
1 1 1 12 7  5  o 31.6926  0.212053  1005.52      13.441   1012.63      19.3421  998.87       18.6915  31.7859  0.304256  31.5711  0.296023  
1 1 1 12 7  6  o 6.14374  0.0502874 37.7479      0.617906 38.3528      0.894918 37.1968      0.854204 6.19256  0.0722575 6.09854  0.0700335 
1 1 1 12 7  7  o 20.2205  0.144538  409.086      5.84525  411.672      8.31686  406.561      8.21692  20.2787  0.205064  20.1526  0.203868  
1 1 1 12 7  8  o 17.2577  0.121195  297.943      4.1831   298.832      5.93199  297.063      5.89973  17.28    0.171643  17.2288  0.171217  
1 1 1 12 7  9  o 23.4128  0.171145  548.596      8.01395  550.571      11.6552  546.825      11.0369  23.4446  0.248569  23.3666  0.236169  
1 1 1 12 7  10 o 10.7299  0.0886786 115.156      1.90303  116.005      2.70755  114.327      2.67532  10.7682  0.12572   10.6901  0.125131  
1 1 1 12 7  11 o 8.40007  0.0716787 70.571       1.20421  73.0417      1.70116  68.0895      1.70487  8.5453   0.0995378 8.25045  0.10332   
1 1 1 12 7  12 o 7.08955  0.0660742 50.2672      0.936872 49.0308      1.26928  51.747       1.38862  7.00147  0.0906437 7.19268  0.0965303 
1 1 1 12 7  13 o 1.92204  0.116802  3.69547      0.448997 4.31258      0.637802 3.08917      0.63219  2.07608  0.153608  1.75691  0.179915  
1 1 1 12 7  14 o 4.87042  0.0696085 23.7236      0.678046 23.2823      0.951936 24.1781      0.966022 4.82463  0.0986537 4.91658  0.0982413 
1 1 1 12 7  15 o 6.0695   0.0669303 36.8418      0.812467 38.2403      1.15043  35.4503      1.14758  6.18338  0.0930262 5.9535   0.0963782 
1 1 1 12 7  16 o 3.35509  0.0910312 11.2581      0.610836 10.2025      0.839781 12.444       0.890121 3.19371  0.131474  3.52717  0.126181  
1 1 1 12 7  17 o 8.18787  0.0738655 67.0466      1.2096   65.0643      1.71227  69.0213      1.70901  8.06556  0.106147  8.30725  0.102863  
1 1 1 12 7  18 o 15.4772  0.111709  239.588      3.45788  240.311      5.01257  238.931      4.77633  15.4989  0.161708  15.4546  0.154528  
1 1 1 12 7  19 o 5.05688  0.0802303 25.5749      0.81143  25.7283      1.17098  25.4331      1.12545  5.07172  0.115442  5.04257  0.111595  
1 1 1 12 7  20 o 4.15643  0.0962369 17.2792      0.800004 17.9854      1.14754  16.6114      1.11588  4.24012  0.135319  4.07493  0.13692   
1 1 1 12 7  21 o 11.8212  0.0979525 139.769      2.31583  139.502      3.34547  140.015      3.20894  11.8085  0.141655  11.8304  0.135622  
1 1 1 12 7  22 o 7.65026  0.0940391 58.5393      1.43885  56.9981      2.02191  60.1206      2.04802  7.54801  0.133936  7.75205  0.132095  
1 1 1 12 7  23 o 15.8415  0.124879  251.067      3.95653  252.185      5.49194  249.86       5.70489  15.8734  0.172992  15.7994  0.180541  
1 1 1 12 7  24 o 10.0806  0.102196  101.657      2.0604   101.288      2.94315  102.012      2.88541  10.0602  0.146276  10.0963  0.142894  
1 1 1 12 7  25 o 11.0399  0.102944  121.941      2.27299  121.009      3.16036  122.939      3.27152  10.995   0.143718  11.082   0.147605  
1 1 1 12 7  26 o 4.36221  0.130355  19.0479      1.13727  17.1445      1.54212  21.3174      1.68392  4.13635  0.18641   4.61255  0.182537  
1 1 1 12 7  27 o 0.929885 0.363982  0.521657     0.982224 1.12464      1.42799  -0.0197968   1.35317  1.19913  0.445993  0.94694  0.404126  
1 1 1 12 7  28 o 6.28282  0.0997368 39.5133      1.25326  37.1195      1.73229  42.1423      1.81537  6.08643  0.142308  6.48538  0.139959  
1 1 1 12 7  29 o 4.66325  0.115881  21.7808      1.08076  22.5033      1.54233  21.0838      1.5149   4.73622  0.162822  4.5842   0.165231  
1 1 1 12 7  30 o 3.17526  0.149265  10.1152      0.947911 10.3819      1.33472  9.84375      1.34645  3.21188  0.207779  3.1268   0.215309  
1 1 1 12 7  31 o 0.691345 0.307445  -0.315102    0.858685 -0.333301    1.21478  -0.296927    1.21395  0.837384 0.369827  0.843008 0.371334  
1 1 1 12 7  32 o 1.97419  0.224624  3.93869      0.8869   5.12601      1.27207  2.81561      1.23719  2.24538  0.283265  1.62144  0.386444  
1 1 1 12 7  33 o 0.629659 0.294911  -0.895063    0.929693 0.230521     1.34665  -1.92006     1.28507  0.974516 0.408927  0.667199 0.321868  
1 1 1 12 7  34 o 4.65005  0.119495  21.7178      1.11131  21.6104      1.56841  21.8261      1.57488  4.62829  0.169437  4.65137  0.169292  
1 1 1 12 7  35 o 2.14719  0.251172  4.71516      1.07863  4.1513       1.54211  5.25524      1.50925  1.94681  0.409041  2.24696  0.335842  
1 1 1 12 7  36 o 2.02214  0.248828  4.18984      1.00633  3.62811      1.37927  4.82921      1.47153  1.81874  0.390433  2.14773  0.342578  
1 1 1 12 7  37 o 1.21475  0.373547  1.59775      0.99543  1.96209      1.41221  1.23798      1.40333  1.34733  0.448014  1.17117  0.440824  
1 1 1 12 7  38 o 2.92206  0.207651  8.7543       1.21354  10.9784      1.80491  6.91941      1.63941  3.2404   0.278501  2.55439  0.3209    
1 1 1 12 7  39 o 1.9122   0.27285   3.84311      1.04348  4.97605      1.48106  2.72641      1.47041  2.14478  0.345272  1.52508  0.451012  
1 1 1 12 7  40 o 1.6626   0.34556   3.10575      1.11085  3.58239      1.5596   2.61494      1.58261  1.7323   0.447217  1.47937  0.473666  
1 1 1 12 7  41 o 1.56501  0.349867  2.81244      1.06734  3.10643      1.53535  2.53749      1.48481  1.58393  0.458468  1.43888  0.458605  
1 1 1 12 7  42 o 1.07693  0.381142  1.32158      1.02919  1.08312      1.44514  1.567        1.46607  1.06922  0.433257  1.16994  0.44763   
1 1 1 12 7  43 o 0.778692 0.34177   0.116347     1.02079  -0.961431    1.44077  1.2027       1.44649  0.756813 0.357548  1.06482  0.432703  
1 1 1 12 7  44 o 0.651377 0.308464  -0.776724    1.07805  -0.653869    1.5332   -0.896856    1.51612  0.789236 0.37163   0.761669 0.36305   
1 1 1 12 7  45 o 1.11844  0.406749  1.89306      1.1792   3.60682      1.65825  0.139893     1.6772   1.42701  0.485474  0.853834 0.398806  
1 1 1 12 7  46 o 0.841111 0.380958  0.745664     1.37607  0.41937      1.98252  1.04901      1.91153  0.857868 0.410386  0.908155 0.42479   
1 1 1 12 7  47 o 0.646061 0.319163  -1.20408     1.51348  -3.3474      1.99235  1.72031      2.32723  0.621316 0.315149  0.903039 0.435026  
1 1 1 12 8  0  o 46.9538  0.439793  2210.17      41.2917  2210.17      41.2917  2210.17      41.2917  46.9829  0.310757  ?        ?         
1 1 1 12 8  1  o 27.9672  0.189493  782.816      10.5992  783.262      15.0055  782.373      14.9736  27.9632  0.268307  27.9474  0.267889  
1 1 1 12 8  2  o 14.5008  0.104251  210.326      3.02346  213.915      4.34176  206.948      4.21278  14.622   0.148467  14.382   0.14646   
1 1 1 12 8  3  o 8.38016  0.0656568 70.2342      1.10043  70.198       1.55704  70.2704      1.55545  8.37755  0.0929291 8.38188  0.0927863 
1 1 1 12 8  4  o 28.2575  0.195557  799.226      11.0519  796.343      15.5771  802.148      15.6829  28.1933  0.276256  28.2957  0.277126  
1 1 1 12 8  5  o 11.9688  0.0827905 143.278      1.98181  144.434      2.79213  142.103      2.8134   12.0161  0.116183  11.9186  0.118025  
1 1 1 12 8  6  o 21.0379  0.14488   442.831      6.09594  443.831      8.54627  441.795      8.69765  21.0562  0.202939  21.0074  0.207014  
1 1 1 12 8  7  o 12.558   0.0942862 157.74       2.3681   158.67       3.4504   156.912      3.25603  12.5933  0.136993  12.5237  0.129995  
1 1 1 12 8  8  o 2.9579   0.0586374 8.74995      0.346886 8.6451       0.486671 8.85823      0.494567 2.93998  0.0827676 2.976    0.0830925 
1 1 1 12 8  9  o 8.71554  0.0760927 75.9727      1.32638  77.1283      1.92457  74.9273      1.83052  8.78082  0.109589  8.65473  0.105753  
1 1 1 12 8  10 o 7.07562  0.0638832 50.0701      0.904026 51.3614      1.25673  48.6853      1.30141  7.16592  0.087688  6.97664  0.0932692 
1 1 1 12 8  11 o 3.46888  0.0697033 12.0347      0.483585 12.3017      0.67824  11.7585      0.689688 3.50695  0.0966995 3.42862  0.100578  
1 1 1 12 8  12 o 21.1782  0.150386  448.767      6.36981  451.901      8.96278  445.568      9.05447  21.2461  0.210928  21.0963  0.214599  
1 1 1 12 8  13 o 6.93739  0.0655346 48.1322      0.909277 48.9557      1.27795  47.2879      1.29403  6.99613  0.0913325 6.87589  0.0940988 
1 1 1 12 8  14 o 11.1105  0.0879316 123.463      1.95393  121.77       2.549    125.876      3.04262  11.0334  0.115513  11.2172  0.135622  
1 1 1 12 8  15 o 22.6426  0.157579  512.907      7.136    506.943      9.6629   520.062      10.5835  22.5063  0.214671  22.7941  0.232154  
1 1 1 12 8  16 o 38.04    0.261013  1448.49      19.8579  1444.85      27.7214  1452.34      28.4597  37.9732  0.365013  38.0697  0.373784  
1 1 1 12 8  17 o 25.9027  0.175915  671.258      9.11337  669.35       12.9896  673.107      12.7893  25.8595  0.251157  25.9324  0.246589  
1 1 1 12 8  18 o 11.0923  0.0878001 123.053      1.94781  122.059      2.7413   124.066      2.76812  11.0467  0.124077  11.1372  0.124274  
1 1 1 12 8  19 o 19.1818  0.135153  368.062      5.18497  368.602      7.50968  367.57       7.1676   19.1924  0.195642  19.166   0.186987  
1 1 1 12 8  20 o 15.378   0.114257  236.547      3.51408  233.83       5.08667  239.027      4.86037  15.2871  0.166371  15.4565  0.157227  
1 1 1 12 8  21 o 15.2279  0.121879  231.965      3.71193  225.891      5.15131  238.525      5.35346  15.0248  0.171427  15.4391  0.173373  
1 1 1 12 8  22 o 8.12111  0.0886173 65.9657      1.43934  67.2154      2.09703  64.8526      1.97915  8.19677  0.127918  8.05154  0.122905  
1 1 1 12 8  23 o 2.28103  0.22754   5.21121      1.03805  5.28144      1.51216  5.14863      1.42755  2.29438  0.329536  2.26567  0.315039  
1 1 1 12 8  24 o 5.04588  0.113297  25.4734      1.14337  25.1026      1.58707  25.8734      1.64861  5.00783  0.158459  5.08402  0.162137  
1 1 1 12 8  25 o 6.06421  0.105165  36.7948      1.27549  35.2628      1.75077  38.5276      1.862    5.93505  0.147494  6.2036   0.150074  
1 1 1 12 8  26 o 8.51255  0.0980316 72.5058      1.669    70.0169      2.30574  75.2452      2.41896  8.36275  0.137858  8.66924  0.139514  
1 1 1 12 8  27 o 1.85425  0.270135  3.45743      1.0018   3.18947      1.40529  3.73431      1.4285   1.74025  0.41002   1.88685  0.391635  
1 1 1 12 8  28 o 3.39862  0.143173  11.5752      0.973183 11.647       1.38497  11.5052      1.36777  3.40553  0.203342  3.38482  0.202044  
1 1 1 12 8  29 o 0.797516 0.335002  0.0951044    0.905336 0.283561     1.27492  -0.0965894   1.28583  0.972429 0.402322  0.906182 0.390528  
1 1 1 12 8  30 o 2.03124  0.221121  4.15611      0.898297 3.57881      1.25821  4.7563       1.28292  1.8452   0.353552  2.16658  0.29607   
1 1 1 12 8  31 o 4.14111  0.120827  17.1949      1.00072  16.8325      1.41188  17.5608      1.41861  4.09151  0.172537  4.17946  0.169711  
1 1 1 12 8  32 o 1.54671  0.297256  2.51496      0.886728 2.24873      1.25482  2.78052      1.25323  1.45334  0.412492  1.61005  0.392256  
1 1 1 12 8  33 o 1.71613  0.278314  3.00594      0.955246 2.51077      1.34374  3.51184      1.35822  1.52464  0.424977  1.80598  0.387221  
1 1 1 12 8  34 o 2.66965  0.174661  7.19508      0.932565 6.99501      1.32447  7.39177      1.31329  2.61854  0.252902  2.69367  0.243774  
1 1 1 12 8  35 o 3.00716  0.187295  9.15687      1.12645  9.95521      1.63869  8.44168      1.55101  3.11645  0.262911  2.86776  0.270422  
1 1 1 12 8  36 o 2.26227  0.222708  5.21947      1.00765  5.51747      1.39099  4.89042      1.46169  2.30702  0.30147   2.16216  0.338017  
1 1 1 12 8  37 o 1.9995   0.248418  4.12307      0.993426 4.06346      1.38228  4.18675      1.4287   1.9223   0.372845  1.94872  0.380138  
1 1 1 12 8  38 o 3.00676  0.203294  9.26217      1.22251  7.88169      1.80953  10.4213      1.65816  2.71949  0.332697  3.16436  0.262005  
1 1 1 12 8  39 o 2.17192  0.246249  4.91858      1.06966  5.78401      1.49779  4.01774      1.52813  2.32158  0.32258   1.86217  0.420262  
1 1 1 12 8  40 o 0.996123 0.381536  0.877613     1.06603  1.05638      1.49602  0.693207     1.51943  1.11933  0.445849  1.05617  0.438225  
1 1 1 12 8  41 o 1.48292  0.361079  2.56037      1.0624   2.11556      1.50988  2.99655      1.49514  1.3288   0.462485  1.55447  0.453229  
1 1 1 12 8  42 o 1.06142  0.378418  1.27265      1.0162   2.39401      1.45063  0.192117     1.42397  1.36245  0.454067  0.912168 0.401946  
1 1 1 12 8  43 o 0.834624 0.352468  0.430409     1.01108  1.01088      1.43978  -0.134371    1.42018  1.02495  0.426009  0.844027 0.38383   
1 1 1 12 8  44 o 1.46229  0.385703  2.84191      1.14437  1.97936      1.62275  3.69525      1.61405  1.17475  0.465472  1.5636   0.47463   
1 1 1 12 8  45 o 0.666972 0.316365  -0.577835    1.13811  -0.0213426   1.57865  -1.18009     1.64228  0.818473 0.383515  0.728758 0.354411  
1 1 1 12 8  46 f 0.90278  0.394865  1.26776      1.35293  -0.157357    1.91491  2.68817      1.91175  0.794447 0.385207  1.07514  0.469825  
1 1 1 12 8  47 o 0.67474  0.329395  -0.597148    1.46247  -2.52967     2.01013  1.57626      2.13173  0.649898 0.327785  0.884697 0.423778  
1 1 1 12 9  0  o 20.2702  0.190713  411.169      7.73005  411.169      7.73005  411.169      7.73005  20.2737  0.134818  ?        ?         
1 1 1 12 9  1  o 11.4808  0.0835636 131.83       1.91875  134.327      2.76131  129.499      2.66814  11.588   0.119145  11.3779  0.117251  
1 1 1 12 9  2  o 21.8641  0.155402  478.317      6.79544  479.045      9.62701  477.593      9.59347  21.8743  0.220053  21.8412  0.219619  
1 1 1 12 9  3  o 11.6011  0.0848358 134.609      1.96837  134.323      2.77769  134.897      2.78975  11.5877  0.119855  11.6125  0.120119  
1 1 1 12 9  4  o 6.53857  0.0543458 42.756       0.710688 41.9381      0.991515 43.6201      1.01918  6.47549  0.076559  6.60406  0.0771635 
1 1 1 12 9  5  o 10.7898  0.0791039 116.439      1.70704  118.765      2.4868   114.367      2.34745  10.8961  0.114114  10.6926  0.10977   
1 1 1 12 9  6  o 5.78308  0.0516175 33.4464      0.597016 33.9202      0.850742 32.9866      0.838019 5.8237   0.0730413 5.743    0.0729601 
1 1 1 12 9  7  o 28.1042  0.197027  790.656      11.0745  792.321      15.8756  789.077      15.4563  28.1185  0.282299  28.0623  0.275394  
1 1 1 12 9  8  o 18.4036  0.127754  338.841      4.70225  339.773      6.74207  337.958      6.56157  18.4246  0.182964  18.3757  0.17854   
1 1 1 12 9  9  o 4.68223  0.0628511 21.9257      0.588566 23.0567      0.849468 20.8814      0.816242 4.80121  0.0884639 4.56911  0.0893217 
1 1 1 12 9  10 o 7.85152  0.0645017 61.6534      1.01287  63.1048      1.46571  60.3268      1.4013   7.94293  0.0922653 7.76617  0.0902179 
1 1 1 12 9  11 o 13.4428  0.102538  180.757      2.75678  179.671      3.87336  181.871      3.92451  13.4005  0.144523  13.4823  0.145543  
1 1 1 12 9  12 o 12.4119  0.0918659 154.088      2.28047  155.83       3.25525  152.408      3.19571  12.4806  0.130413  12.3428  0.129456  
1 1 1 12 9  13 o 25.0639  0.1731    628.639      8.67715  631.938      12.1943  625.255      12.3498  25.1208  0.242714  24.987   0.247125  
1 1 1 12 9  14 o 6.90522  0.0679859 47.6864      0.938916 46.632       1.26209  48.9933      1.40504  6.82818  0.0924177 6.99882  0.100377  
1 1 1 12 9  15 o 13.9832  0.104917  195.566      2.93416  197.748      4.14372  193.373      4.15537  14.0597  0.147361  13.9033  0.149439  
1 1 1 12 9  16 f 24.3146  0.16716   591.442      8.12886  589.778      11.4569  593.129      11.5354  24.2753  0.235978  24.3441  0.236925  
1 1 1 12 9  17 o 12.5061  0.0974736 156.425      2.43803  154.457      3.36884  158.589      3.5328   12.4263  0.135553  12.5913  0.140287  
1 1 1 12 9  18 o 17.2256  0.119879  296.787      4.12997  299.308      5.88846  294.346      5.79401  17.2965  0.170221  17.1526  0.168896  
1 1 1 12 9  19 o 15.2624  0.110477  232.994      3.37228  236.024      4.88024  230.225      4.66526  15.3594  0.158868  15.1698  0.153768  
1 1 1 12 9  20 o 5.2409   0.0879979 27.4715      0.922376 26.6398      1.31606  28.2744      1.29311  5.16049  0.127513  5.31654  0.121612  
1 1 1 12 9  21 o 14.2809  0.123387  204.013      3.52415  202.873      5.04216  205.102      4.92761  14.2382  0.177064  14.3165  0.172095  
1 1 1 12 9  22 o 12.1396  0.0996131 147.41       2.41854  145.937      3.46306  148.812      3.37914  12.0771  0.143373  12.1957  0.138538  
1 1 1 12 9  23 o 7.70327  0.104597  59.3605      1.61148  60.3739      2.31331  58.4051      2.24614  7.76738  0.148912  7.63975  0.147004  
1 1 1 12 9  24 o 2.7594   0.177923  7.62408      0.981921 7.62663      1.37745  7.62144      1.40012  2.75812  0.249709  2.75706  0.253915  
1 1 1 12 9  25 o 3.67589  0.144333  13.5266      1.06111  14.5669      1.49443  12.4689      1.5069   3.8129   0.195971  3.52701  0.213623  
1 1 1 12 9  26 o 6.06945  0.106761  36.8646      1.29596  36.6452      1.81723  37.0917      1.84871  6.04919  0.150204  6.08583  0.151887  
1 1 1 12 9  27 o 10.5302  0.103077  110.98       2.17084  109.399      2.9746   112.781      3.17529  10.4508  0.142314  10.6103  0.149633  
1 1 1 12 9  28 o 2.51176  0.182954  6.33141      0.919076 5.53548      1.29113  7.149        1.30858  2.34338  0.275485  2.66528  0.245487  
1 1 1 12 9  29 o 3.30239  0.14687   10.936       0.970046 11.6319      1.37463  10.2457      1.36909  3.40163  0.202055  3.19146  0.214493  
1 1 1 12 9  30 o 2.3673   0.189384  5.63506      0.896659 4.56776      1.26889  6.69961      1.26725  2.12252  0.29891   2.57626  0.245947  
1 1 1 12 9  31 o 4.31364  0.118354  18.6568      1.02107  19.1729      1.44698  18.145       1.44106  4.36735  0.165659  4.24814  0.169611  
1 1 1 12 9  32 o 8.32016  0.0951407 69.3628      1.58317  68.3724      2.22606  70.3765      2.25205  8.25237  0.134874  8.37254  0.13449   
1 1 1 12 9  33 o 3.45861  0.152594  12.0386      1.05553  11.8129      1.48811  12.2673      1.49742  3.41494  0.217882  3.48057  0.215111  
1 1 1 12 9  34 o 2.55349  0.179073  6.58711      0.91452  6.69961      1.28598  6.47199      1.3008   2.5624   0.250932  2.51697  0.258406  
1 1 1 12 9  35 o 4.39452  0.14085   19.4488      1.23794  19.3018      1.77065  19.5894      1.73143  4.36103  0.203008  4.39529  0.196965  
1 1 1 12 9  36 o 0.981668 0.369063  0.796703     0.98306  1.80434      1.36789  -0.279652    1.41376  1.31452  0.440927  0.900662 0.398217  
1 1 1 12 9  37 o 2.19673  0.230004  4.95654      1.01051  5.83872      1.40038  3.99815      1.45961  2.36363  0.296235  1.8938   0.397984  
1 1 1 12 9  38 o 2.25255  0.260257  5.28086      1.17248  5.40554      1.73207  5.17541      1.59293  2.18959  0.41068   2.18904  0.363843  
1 1 1 12 9  39 o 0.944039 0.369609  0.70446      1.01295  2.27024      1.41638  -0.934806    1.44924  1.39906  0.448115  0.805425 0.374067  
1 1 1 12 9  40 o 2.11554  0.263581  4.72368      1.11523  4.22366      1.56104  5.24492      1.59383  1.89556  0.422662  2.14347  0.385853  
1 1 1 12 9  41 o 0.983726 0.373912  0.928327     1.01743  1.27388      1.43926  0.583154     1.43846  1.12936  0.440899  0.997461 0.420784  
1 1 1 12 9  42 o 1.33213  0.365901  2.14411      1.00429  1.97225      1.41122  2.32045      1.42953  1.25698  0.446163  1.34299  0.450752  
1 1 1 12 9  43 o 0.942617 0.373967  0.893063     1.04867  1.24748      1.49449  0.549306     1.47185  1.06959  0.438086  0.948308 0.413339  
1 1 1 12 9  44 o 0.995703 0.38601   1.19889      1.09922  1.20629      1.55447  1.19149      1.5546   1.03115  0.436326  1.02867  0.435864  
1 1 1 12 9  45 o 0.823333 0.361813  0.55995      1.14696  2.67406      1.68405  -1.26913     1.56642  1.20372  0.475055  0.703271 0.342886  
1 1 1 12 9  46 o 0.7347   0.345809  0.0742052    1.32493  -1.20755     1.88875  1.31601      1.85908  0.717947 0.355125  0.904684 0.421514  
1 1 1 12 9  47 o 0.789897 0.370058  0.741509     1.46738  0.331386     2.01069  1.20883      2.14633  0.785204 0.383962  0.846157 0.409663  
1 1 1 12 10 0  o 35.7762  0.335064  1282.02      23.9699  1282.02      23.9699  1282.02      23.9699  35.7907  0.236807  ?        ?         
1 1 1 12 10 1  o 31.7077  0.21473   1006.51      13.6172  1010.39      19.335   1002.69      19.1812  31.7504  0.304484  31.6295  0.303216  
1 1 1 12 10 2  o 27.5601  0.195245  760.271      10.7619  763.888      15.291   756.721      15.1493  27.6123  0.276888  27.4827  0.275616  
1 1 1 12 10 3  o 11.9387  0.0895468 142.562      2.13815  142.156      3.0179   142.97       3.02974  11.9205  0.126584  11.9546  0.126718  
1 1 1 12 10 4  o 5.83658  0.0528033 34.0681      0.616381 34.1676      0.889879 33.9763      0.854581 5.84487  0.0761247 5.82852  0.0733103 
1 1 1 12 10 5  o 5.93804  0.0550582 35.2631      0.653875 36.0429      0.969836 34.6132      0.885365 6.00307  0.0807783 5.88286  0.0752495 
1 1 1 12 10 6  o 16.5288  0.118767  273.303      3.92615  270.965      5.50824  275.718      5.59766  16.4549  0.167374  16.5985  0.168619  
1 1 1 12 10 7  f 6.5753   0.0550232 43.238       0.723588 43.089       1.01129  43.3944      1.03577  6.5637   0.0770366 6.58689  0.0786232 
1 1 1 12 10 8  o 6.77754  0.0614387 45.9399      0.832808 45.0949      1.17458  46.7941      1.18098  6.71456  0.0874651 6.83992  0.0863301 
1 1 1 12 10 9  o 8.5613   0.0754135 73.3076      1.29128  74.9533      1.83283  71.6857      1.81952  8.6562   0.105868  8.46537  0.107468  
1 1 1 12 10 10 o 11.53    0.0872932 132.968      2.01299  135.227      2.95507  131.012      2.74961  11.6262  0.127086  11.4439  0.120135  
1 1 1 12 10 11 o 8.03748  0.071236  64.6094      1.14512  63.8167      1.62818  65.3852      1.61084  7.98748  0.101921  8.0851   0.0996177 
1 1 1 12 10 12 o 10.0463  0.0776079 100.942      1.55934  100.828      2.2305   101.051      2.18083  10.0398  0.111082  10.051   0.108488  
1 1 1 12 10 13 o 8.87862  0.07286   78.8393      1.29379  79.498       1.82163  78.1689      1.83788  8.9151   0.102165  8.84022  0.10395   
1 1 1 12 10 14 o 12.4931  0.0958706 156.104      2.39545  159.084      3.51915  153.532      3.26991  12.6105  0.139532  12.3888  0.131971  
1 1 1 12 10 15 o 10.5626  0.084506  111.58       1.7852   112.54       2.53558  110.637      2.51387  10.6073  0.119521  10.5172  0.119512  
1 1 1 12 10 16 o 15.7739  0.111384  248.86       3.5139   249.226      4.92162  248.479      5.01862  15.784   0.155905  15.7602  0.159218  
1 1 1 12 10 17 o 15.7809  0.118396  249.089      3.7368   246.132      5.10421  252.504      5.48566  15.6854  0.162706  15.8867  0.172649  
1 1 1 12 10 18 o 9.30832  0.0786703 86.6535      1.46458  87.5426      2.06345  85.7509      2.07909  9.35547  0.11028   9.2592   0.112271  
1 1 1 12 10 19 o 2.3602   0.142823  5.57278      0.674184 4.51516      0.977921 6.53074      0.93071  2.12378  0.230231  2.55469  0.182157  
1 1 1 12 10 20 o 7.3345   0.0807353 53.8023      1.18431  53.8584      1.72433  53.7523      1.62942  7.33774  0.117497  7.33063  0.111138  
1 1 1 12 10 21 o 7.2142   0.0948304 52.0556      1.36825  51.9075      1.96468  52.1951      1.90663  7.2031   0.136377  7.22313  0.131981  
1 1 1 12 10 22 o 14.5845  0.109494  212.779      3.19385  210.93       4.49413  214.665      4.53979  14.5187  0.154771  14.6466  0.154978  
1 1 1 12 10 23 o 11.9986  0.117602  144.03       2.82211  145.767      4.08826  142.449      3.90048  12.0678  0.169387  11.9301  0.163473  
1 1 1 12 10 24 o 7.37551  0.0964381 54.4199      1.42256  53.9331      1.97503  54.9449      2.05072  7.34101  0.13452   7.40937  0.138387  
1 1 1 12 10 25 o 9.29422  0.0978156 86.427       1.81824  86.2988      2.55569  86.5583      2.58736  9.28503  0.137624  9.29887  0.139123  
1 1 1 12 10 26 o 10.1251  0.100573  102.586      2.03662  102.323      2.90574  102.84       2.85534  10.1085  0.143727  10.1343  0.140874  
1 1 1 12 10 27 o 7.71496  0.0987459 59.5696      1.52364  58.9237      2.09867  60.2893      2.21558  7.67009  0.136809  7.75791  0.142795  
1 1 1 12 10 28 o 6.33629  0.0962908 40.1891      1.22025  39.7804      1.71358  40.6096      1.73807  6.30084  0.135981  6.36612  0.13651   
1 1 1 12 10 29 o 2.21357  0.20589   4.92769      0.911502 5.36862      1.28616  4.48278      1.29198  2.30505  0.278988  2.10402  0.307026  
1 1 1 12 10 30 o 4.40951  0.113935  19.484       1.0048   21.5856      1.43933  17.4861      1.40335  4.63706  0.155198  4.17216  0.16818   
1 1 1 12 10 31 o 2.50107  0.180662  6.29517      0.903696 6.90205      1.28473  5.70082      1.27141  2.61184  0.245944  2.37111  0.268105  
1 1 1 12 10 32 o 1.54405  0.300917  2.51151      0.896106 2.11133      1.26641  2.9128       1.26817  1.41298  0.418725  1.6468   0.390467  
1 1 1 12 10 33 f 1.9983   0.241341  4.05855      0.964543 3.48798      1.35672  4.64167      1.37154  1.79776  0.38836   2.12382  0.322896  
1 1 1 12 10 34 o 1.23967  0.34174   1.64649      0.874107 2.72969      1.25067  0.612092     1.22217  1.58127  0.395966  1.00693  0.402375  
1 1 1 12 10 35 o 2.08125  0.249173  4.42858      1.03718  5.47826      1.49249  3.44821      1.44238  2.29683  0.324903  1.76974  0.414385  
1 1 1 12 10 36 o 2.906    0.17556   8.55339      1.02036  8.02808      1.42863  9.10038      1.45782  2.79522  0.255549  2.97937  0.244651  
1 1 1 12 10 37 o 3.4089   0.161732  11.7813      1.10266  12.2278      1.53378  11.3036      1.58634  3.45197  0.22216   3.31211  0.239476  
1 1 1 12 10 38 o 2.24397  0.256832  5.23862      1.15265  4.82321      1.64066  5.6435       1.61973  2.06329  0.412163  2.28893  0.353817  
1 1 1 12 10 39 o 1.01882  0.376417  0.994222     1.01383  1.30022      1.42591  0.681373     1.44177  1.16171  0.442334  1.04007  0.428859  
1 1 1 12 10 40 o 2.45709  0.225442  6.29166      1.10786  6.413        1.55218  6.16566      1.58175  2.43198  0.319118  2.37656  0.332781  
1 1 1 12 10 41 o 0.966574 0.372179  0.872278     1.01824  1.4206       1.42834  0.305662     1.45197  1.15515  0.441873  0.951293 0.412539  
1 1 1 12 10 42 o 1.03648  0.377791  1.18978      1.01777  0.922935     1.45644  1.44445      1.42285  1.03661  0.429512  1.13458  0.439311  
1 1 1 12 10 43 o 1.40314  0.384016  2.52771      1.10865  2.61892      1.57614  2.43839      1.55972  1.35051  0.472287  1.31096  0.468676  
1 1 1 12 10 44 o 0.633989 0.300756  -0.76543     1.02885  -1.19519     1.44751  -0.326649    1.46262  0.713056 0.343402  0.802763 0.373969  
1 1 1 12 10 45 o 1.34413  0.39917   2.72673      1.15005  2.48706      1.67801  2.93903      1.57931  1.16435  0.468896  1.27254  0.469878  
1 1 1 12 10 46 o 0.855754 0.384678  1.0557       1.37703  -0.0616551   1.94522  2.17812      1.94962  0.789383 0.384373  0.983275 0.447839  
1 1 1 12 10 47 o 0.780041 0.364044  0.768743     1.39399  -0.601737    1.95146  2.1967       1.99196  0.716916 0.355943  0.91245  0.428133  
1 1 1 12 11 0  o 7.24603  0.0834516 52.5304      1.20902  52.5304      1.20902  52.5304      1.20902  7.24691  0.0589932 ?        ?         
1 1 1 12 11 1  o 11.3915  0.0785744 129.786      1.79016  128.477      2.4823   131.205      2.5841   11.333   0.109516  11.4527  0.112817  
1 1 1 12 11 2  o 1.80063  0.0644372 3.24259      0.232055 3.89988      0.322169 2.53391      0.33453  1.97465  0.0815764 1.5916   0.105092  
1 1 1 12 11 3  o 5.73623  0.0541474 32.9068      0.621204 33.029       0.879882 32.7853      0.877154 5.74665  0.076556  5.72542  0.0766017 
1 1 1 12 11 4  f 4.26742  0.0545588 18.2123      0.465651 18.0741      0.638436 18.3693      0.680648 4.25106  0.0750915 4.28559  0.0794112 
1 1 1 12 11 5  o 11.9357  0.0922537 142.494      2.20223  140.616      3.16192  144.263      3.06901  11.8554  0.133354  12.0084  0.127786  
1 1 1 12 11 6  o 10.775   0.0812726 116.121      1.75142  117.816      2.5406   114.585      2.41773  10.8523  0.117053  10.7026  0.11295   
1 1 1 12 11 7  o 14.5413  0.105652  211.515      3.07264  209.661      4.3135   213.425      4.37796  14.4753  0.148996  14.6046  0.149883  
1 1 1 12 11 8  o 2.81955  0.0700598 7.95097      0.395075 7.92767      0.57708  7.97152      0.542007 2.8152   0.102494  2.82302  0.0959976 
1 1 1 12 11 9  o 18.8452  0.142467  355.338      5.36963  354.394      7.57263  356.293      7.61515  18.815   0.201239  18.8653  0.20183   
1 1 1 12 11 10 o 12.9913  0.0967615 168.814      2.51411  170.325      3.58114  167.346      3.53039  13.0477  0.137233  12.9331  0.136486  
1 1 1 12 11 11 o 8.8168   0.0742997 77.7466      1.31017  77.9948      1.85668  77.5003      1.84907  8.83025  0.105132  8.80222  0.105034  
1 1 1 12 11 12 o 10.9275  0.0844496 119.43       1.84564  120.09       2.65829  118.815      2.5645   10.9566  0.12131   10.8984  0.117654  
1 1 1 12 11 13 o 18.6885  0.128107  349.377      4.78826  350.33       6.71791  348.393      6.82665  18.7108  0.17952   18.6587  0.182934  
1 1 1 12 11 14 o 20.2988  0.138698  412.18       5.63082  411.653      7.8714   412.731      8.05823  20.2825  0.194044  20.3088  0.198393  
1 1 1 12 11 15 o 4.35323  0.0779848 18.9523      0.678972 19.1823      0.931109 18.6912      0.992223 4.37938  0.106306  4.32291  0.114763  
1 1 1 12 11 16 o 1.49663  0.170327  2.24087      0.509835 2.36811      0.71715  2.11085      0.724946 1.53824  0.233108  1.42931  0.263485  
1 1 1 12 11 17 o 5.68304  0.0736766 32.2995      0.837413 30.9928      1.17974  33.6267      1.18888  5.56663  0.105965  5.79838  0.102518  
1 1 1 12 11 18 o 8.1852   0.0760978 67.0042      1.24575  67.387       1.73447  66.5964      1.79038  8.20816  0.105655  8.1598   0.109707  
1 1 1 12 11 19 o 14.6158  0.109167  213.673      3.19114  210          4.3973   217.761      4.63822  14.488   0.151757  14.753   0.157196  
1 1 1 12 11 20 o 8.26392  0.0827952 68.3025      1.36843  68.7806      1.98076  67.866       1.89273  8.29212  0.119436  8.2369   0.114894  
1 1 1 12 11 21 o 19.8268  0.160705  393.348      6.37254  391.763      9.11155  394.866      8.91591  19.7802  0.230321  19.859   0.224481  
1 1 1 12 11 22 o 7.95897  0.0874786 63.3589      1.39248  64.5434      1.96611  62.1668      1.97244  8.03218  0.122389  7.88283  0.12511   
1 1 1 12 11 23 o 7.23746  0.108418  52.4019      1.56935  53.2862      2.28881  51.6174      2.15594  7.29666  0.156839  7.18175  0.150098  
1 1 1 12 11 24 o 4.58433  0.117296  21.0291      1.07545  23.6711      1.55764  18.6224      1.48667  4.86244  0.16017   4.31244  0.17237   
1 1 1 12 11 25 o 8.39097  0.0969459 70.4453      1.62694  68.3788      2.27024  72.6271      2.33271  8.26481  0.137344  8.51771  0.136933  
1 1 1 12 11 26 o 3.62633  0.140755  13.1681      1.02085  13.172       1.44024  13.1641      1.44717  3.62437  0.198689  3.62323  0.199707  
1 1 1 12 11 27 o 6.21085  0.100436  38.6095      1.24759  38.7764      1.7542   38.4387      1.77469  6.22153  0.140978  6.19419  0.143254  
1 1 1 12 11 28 o 5.53364  0.0998046 30.6552      1.10456  32.2234      1.57418  29.1343      1.55027  5.67045  0.138806  5.39138  0.143773  
1 1 1 12 11 29 o 0.962344 0.353478  0.75639      0.892473 -1.01656     1.25513  2.56958      1.26929  0.757929 0.35051   1.5565   0.404212  
1 1 1 12 11 30 o 5.49402  0.100256  30.2343      1.10161  31.992       1.58218  28.5805      1.53474  5.64692  0.140092  5.33689  0.143786  
1 1 1 12 11 31 o 0.666319 0.298837  -0.365509    0.82673  0.475434     1.17193  -1.19859     1.16644  0.972539 0.391772  0.696474 0.326943  
1 1 1 12 11 32 o 4.55254  0.113622  20.7882      1.03453  20.9524      1.46966  20.6269      1.45653  4.56359  0.16102   4.52802  0.160835  
1 1 1 12 11 33 o 0.778829 0.332616  0.0190207    0.917796 -1.68137     1.28793  1.77343      1.30823  0.690335 0.330369  1.31456  0.431204  
1 1 1 12 11 34 o 3.05541  0.160488  9.41696      0.980714 9.29327      1.38104  9.54279      1.39291  3.0216   0.228528  3.06215  0.22744   
1 1 1 12 11 35 o 1.92551  0.267492  3.80606      1.03012  4.40113      1.46047  3.21692      1.45317  2.01713  0.37602   1.70422  0.42686   
1 1 1 12 11 36 o 0.785041 0.338342  -0.00840466  0.965254 -0.74056     1.38978  0.673902     1.34164  0.826299 0.376818  1.04221  0.419452  
1 1 1 12 11 37 o 2.58506  0.209142  6.84219      1.08129  6.30393      1.51373  7.40298      1.54509  2.44741  0.309251  2.66002  0.290428  
1 1 1 12 11 38 o 2.00822  0.270804  4.21703      1.08766  3.91473      1.55657  4.50546      1.52044  1.84289  0.429805  2.00057  0.394037  
1 1 1 12 11 39 o 0.803516 0.34528   0.0951879    0.999743 -0.307529    1.39933  0.515061     1.42883  0.867344 0.388897  1.00607  0.42165   
1 1 1 12 11 40 o 0.753918 0.337216  -0.243555    1.04646  -0.432768    1.45856  -0.0428376   1.50225  0.860355 0.390648  0.926166 0.409863  
1 1 1 12 11 41 o 0.614775 0.29443   -1.1691      1.02784  -2.33787     1.44041  0.0434469    1.46714  0.657648 0.322431  0.912206 0.404191  
1 1 1 12 11 42 o 0.771227 0.337393  0.0785863    0.988171 1.21855      1.39926  -1.05562     1.39572  1.08242  0.431176  0.744173 0.351736  
1 1 1 12 11 43 o 1.2937   0.386316  2.17461      1.07517  4.3376       1.53951  0.115106     1.50223  1.79061  0.433827  0.883346 0.399169  
1 1 1 12 11 44 o 0.839683 0.354708  0.57796      1.02447  -0.124376    1.44583  1.28613      1.45183  0.816961 0.377193  1.02532  0.427078  
1 1 1 12 11 45 o 0.671423 0.318946  -0.542451    1.16055  0.106336     1.64484  -1.18563     1.63772  0.831754 0.390049  0.72034  0.351099  
1 1 1 12 11 46 o 1.1302   0.434668  2.65271      1.38801  3.8184       1.98058  1.52765      1.94576  1.17541  0.494699  0.906513 0.424949  
1 1 1 12 11 47 o 0.643516 0.315064  -0.513134    1.36482  0.906507     1.89618  -2.03927     1.96601  0.785259 0.381553  0.637859 0.322166  
1 1 1 12 12 0  o 17.392   0.233253  302.855      8.11019  302.855      8.11019  302.855      8.11019  17.3973  0.164851  ?        ?         
1 1 1 12 12 1  o 0.691601 0.216737  0.60009      0.26231  0.60009      0.26231  0.60009      0.26231  0.737662 0.140777  ?        ?         
1 1 1 12 12 2  o 20.9873  0.217007  440.875      9.10659  440.875      9.10659  440.875      9.10659  20.9922  0.153393  ?        ?         
1 1 1 12 12 3  o 10.21    0.116462  104.302      2.37745  104.302      2.37745  104.302      2.37745  10.2114  0.0823273 ?        ?         
1 1 1 12 12 4  o 17.4594  0.196717  305.103      6.86718  305.103      6.86718  305.103      6.86718  17.4633  0.139049  ?        ?         
1 1 1 12 12 5  o 3.20005  0.0767113 10.2588      0.490322 10.2588      0.490322 10.2588      0.490322 3.20149  0.0541832 ?        ?         
1 1 1 12 12 6  o 21.1279  0.208255  446.783      8.79805  446.783      8.79805  446.783      8.79805  21.1326  0.14721   ?        ?         
1 1 1 12 12 7  o 6.69433  0.0917571 44.8446      1.22798  44.8446      1.22798  44.8446      1.22798  6.69547  0.0648573 ?        ?         
1 1 1 12 12 8  o 0.612898 0.309929  0.555643     0.466999 0.555643     0.466999 0.555643     0.466999 0.626605 0.263401  ?        ?         
1 1 1 12 12 9  o 6.89172  0.0928603 47.527       1.27941  47.527       1.27941  47.527       1.27941  6.89285  0.0656379 ?        ?         
1 1 1 12 12 10 o 2.28521  0.124865  5.26984      0.56679  5.26984      0.56679  5.26984      0.56679  2.29047  0.0877817 ?        ?         
1 1 1 12 12 11 o 17.8524  0.178735  318.928      6.38026  318.928      6.38026  318.928      6.38026  17.8555  0.126349  ?        ?         
1 1 1 12 12 12 o 19.9467  0.203583  398.188      8.11974  398.188      8.11974  398.188      8.11974  19.9507  0.14391   ?        ?         
1 1 1 12 12 13 o 12.7533  0.131022  162.725      3.34113  162.725      3.34113  162.725      3.34113  12.7548  0.0926244 ?        ?         
1 1 1 12 12 14 o 5.27306  0.0938902 27.8335      0.989469 27.8335      0.989469 27.8335      0.989469 5.2744   0.0663496 ?        ?         
1 1 1 12 12 15 o 8.48971  0.108479  72.1166      1.84123  72.1166      1.84123  72.1166      1.84123  8.49093  0.0766811 ?        ?         
1 1 1 12 12 16 o 37.9452  0.356988  1441.58      27.0866  1441.58      27.0866  1441.58      27.0866  37.9565  0.252329  ?        ?         
1 1 1 12 12 17 o 11.496   0.128526  132.224      2.95422  132.224      2.95422  132.224      2.95422  11.4974  0.0908573 ?        ?         
1 1 1 12 12 18 o 2.88241  0.155902  8.38278      0.892739 8.38278      0.892739 8.38278      0.892739 2.88892  0.109614  ?        ?         
1 1 1 12 12 19 o 15.5     0.192072  240.452      5.95219  240.452      5.95219  240.452      5.95219  15.5033  0.135764  ?        ?         
1 1 1 12 12 20 o 1.85468  0.355337  3.79933      1.17637  3.79933      1.17637  3.79933      1.17637  1.90997  0.224823  ?        ?         
1 1 1 12 12 21 o 6.07164  0.137079  36.9299      1.66268  36.9299      1.66268  36.9299      1.66268  6.07432  0.0968309 ?        ?         
1 1 1 12 12 22 o 7.80132  0.131841  60.9284      2.05574  60.9284      2.05574  60.9284      2.05574  7.80349  0.0931695 ?        ?         
1 1 1 12 12 23 o 3.01098  0.240598  9.2478       1.42759  9.2478       1.42759  9.2478       1.42759  3.02634  0.167962  ?        ?         
1 1 1 12 12 24 o 11.0452  0.14176   122.114      3.13036  122.114      3.13036  122.114      3.13036  11.0478  0.100196  ?        ?         
1 1 1 12 12 25 o 1.09489  0.531476  1.78375      1.35128  1.78375      1.35128  1.78375      1.35128  1.13951  0.442421  ?        ?         
1 1 1 12 12 26 o 4.52706  0.169696  20.6016      1.53155  20.6016      1.53155  20.6016      1.53155  4.53299  0.119643  ?        ?         
1 1 1 12 12 27 o 0.903984 0.494923  1.17382      1.26064  1.17382      1.26064  1.17382      1.26064  0.887823 0.43159   ?        ?         
1 1 1 12 12 28 o 1.41243  0.484119  2.61267      1.22654  2.61267      1.22654  2.61267      1.22654  1.51981  0.325033  ?        ?         
1 1 1 12 12 29 o 10.4178  0.142761  108.748      2.97325  108.748      2.97325  108.748      2.97325  10.423   0.100876  ?        ?         
1 1 1 12 12 30 o 0.798351 0.461189  0.840894     1.16869  0.840894     1.16869  0.840894     1.16869  0.756242 0.404516  ?        ?         
1 1 1 12 12 31 o 2.80295  0.222834  8.04311      1.23102  8.04311      1.23102  8.04311      1.23102  2.81987  0.155424  ?        ?         
1 1 1 12 12 32 o 1.30232  0.505126  2.36726      1.24603  2.36726      1.24603  2.36726      1.24603  1.41121  0.361748  ?        ?         
1 1 1 12 12 33 o 3.34835  0.204324  11.4039      1.35663  11.4039      1.35663  11.4039      1.35663  3.36286  0.143219  ?        ?         
1 1 1 12 12 34 o 0.913736 0.510718  1.22754      1.37744  1.22754      1.37744  1.22754      1.37744  0.895525 0.448571  ?        ?         
1 1 1 12 12 35 o 2.919    0.256706  8.82039      1.47199  8.82039      1.47199  8.82039      1.47199  2.94507  0.178206  ?        ?         
1 1 1 12 12 36 o 1.78434  0.451497  3.8488       1.39135  3.8488       1.39135  3.8488       1.39135  1.88867  0.278479  ?        ?         
1 1 1 12 12 37 o 1.3174   0.559222  2.61948      1.48545  2.61948      1.48545  2.61948      1.48545  1.44083  0.420284  ?        ?         
1 1 1 12 12 38 o 0.477768 0.345216  -2.12342     1.50455  -2.12342     1.50455  -2.12342     1.50455  0.362157 0.265849  ?        ?         
1 1 1 12 12 39 o 0.419914 0.308364  -2.84086     1.4422   -2.84086     1.4422   -2.84086     1.4422   0.312963 0.232817  ?        ?         
1 1 1 12 12 40 o 1.29044  0.554641  2.60697      1.45749  2.60697      1.45749  2.60697      1.45749  1.42626  0.41654   ?        ?         
1 1 1 12 12 41 o 0.527014 0.370317  -1.04502     1.40844  -1.04502     1.40844  -1.04502     1.40844  0.418088 0.297914  ?        ?         
1 1 1 12 12 42 o 0.856283 0.495746  1.23082      1.35523  1.23082      1.35523  1.23082      1.35523  0.856251 0.441488  ?        ?         
1 1 1 12 12 43 o 0.731154 0.469316  0.637969     1.5046   0.637969     1.5046   0.637969     1.5046   0.674755 0.415285  ?        ?         
1 1 1 12 12 44 o 0.691271 0.449929  0.536502     1.45337  0.536502     1.45337  0.536502     1.45337  0.6356   0.39883   ?        ?         
1 1 1 12 12 45 o 1.20785  0.585953  3.09084      1.64225  3.09084      1.64225  3.09084      1.64225  1.44323  0.458524  ?        ?         
1 1 1 12 12 46 o 0.50147  0.366854  -1.95053     1.94543  -1.95053     1.94543  -1.95053     1.94543  0.41156  0.302131  ?        ?         
1 1 1 12 12 47 o 0.472945 0.348444  -1.9936      1.92635  -1.9936      1.92635  -1.9936      1.92635  0.392475 0.289661  ?        ?         
1 1 1 13 0  0  o 69.9778  0.929805  4940.29      130.08   4940.29      130.08   4940.29      130.08   70.1301  0.655912  ?        ?         
1 1 1 13 0  1  o 1.6536   0.0669777 2.74796      0.220684 2.74796      0.220684 2.74796      0.220684 1.65566  0.047212  ?        ?         
1 1 1 13 0  2  o 9.91452  0.0954514 98.3339      1.89232  98.3339      1.89232  98.3339      1.89232  9.91543  0.0674811 ?        ?         
1 1 1 13 0  3  o 1.62136  0.0731594 2.64498      0.236136 2.64498      0.236136 2.64498      0.236136 1.62387  0.0515297 ?        ?         
1 1 1 13 0  4  o 41.3831  0.38755   1715.71      32.0697  1715.71      32.0697  1715.71      32.0697  41.4019  0.273888  ?        ?         
1 1 1 13 0  5  o 16.2344  0.15744   263.702      5.11081  263.702      5.11081  263.702      5.11081  16.2366  0.1113    ?        ?         
1 1 1 13 0  6  o 24.8897  0.244097  620.093      12.1483  620.093      12.1483  620.093      12.1483  24.8956  0.172543  ?        ?         
1 1 1 13 0  7  o 13.9752  0.151191  195.428      4.22475  195.428      4.22475  195.428      4.22475  13.9774  0.106878  ?        ?         
1 1 1 13 0  8  o 19.131   0.180958  366.241      6.92243  366.241      6.92243  366.241      6.92243  19.1342  0.127923  ?        ?         
1 1 1 13 0  9  o 9.95563  0.127135  99.1834      2.53049  99.1834      2.53049  99.1834      2.53049  9.95736  0.089866  ?        ?         
1 1 1 13 0  10 o 7.63588  0.0957086 58.3412      1.46112  58.3412      1.46112  58.3412      1.46112  7.63701  0.0676542 ?        ?         
1 1 1 13 0  11 o 1.78384  0.157373  3.25681      0.551403 3.25681      0.551403 3.25681      0.551403 1.79455  0.109571  ?        ?         
1 1 1 13 0  12 o 3.82555  0.100042  14.6668      0.764248 14.6668      0.764248 14.6668      0.764248 3.82764  0.0706467 ?        ?         
1 1 1 13 0  13 o 23.1144  0.240203  534.846      11.1016  534.846      11.1016  534.846      11.1016  23.1205  0.169783  ?        ?         
1 1 1 13 0  14 o 25.3589  0.240011  643.698      12.1704  643.698      12.1704  643.698      12.1704  25.365   0.169656  ?        ?         
1 1 1 13 0  15 o 9.90225  0.118699  98.1127      2.35001  98.1127      2.35001  98.1127      2.35001  9.90371  0.0839066 ?        ?         
1 1 1 13 0  16 o 1.68588  0.237558  3.00889      0.755826 3.00889      0.755826 3.00889      0.755826 1.71256  0.1592    ?        ?         
1 1 1 13 0  17 o 3.03269  0.139788  9.25706      0.843766 9.25706      0.843766 9.25706      0.843766 3.03765  0.0984404 ?        ?         
1 1 1 13 0  18 o 8.65252  0.117618  74.9153      2.03453  74.9153      2.03453  74.9153      2.03453  8.65394  0.0831372 ?        ?         
1 1 1 13 0  19 o 7.53205  0.107685  56.7715      1.62143  56.7715      1.62143  56.7715      1.62143  7.53336  0.0761138 ?        ?         
1 1 1 13 0  20 o 20.653   0.204468  426.828      8.44387  426.828      8.44387  426.828      8.44387  20.6564  0.144541  ?        ?         
1 1 1 13 0  21 o 22.2631  0.219893  496.039      9.78887  496.039      9.78887  496.039      9.78887  22.2675  0.15544   ?        ?         
1 1 1 13 0  22 o 24.892   0.262018  620.288      13.0411  620.288      13.0411  620.288      13.0411  24.8988  0.185201  ?        ?         
1 1 1 13 0  23 o 11.5015  0.151391  132.392      3.48108  132.392      3.48108  132.392      3.48108  11.5038  0.107007  ?        ?         
1 1 1 13 0  24 o 13.3539  0.170137  178.493      4.54234  178.493      4.54234  178.493      4.54234  13.357   0.120255  ?        ?         
1 1 1 13 0  25 o 1.30013  0.583189  2.46119      1.60732  2.46119      1.60732  2.46119      1.60732  1.38132  0.462489  ?        ?         
1 1 1 13 0  26 o 16.6377  0.187311  277.169      6.23107  277.169      6.23107  277.169      6.23107  16.6431  0.132387  ?        ?         
1 1 1 13 0  27 o 9.91661  0.142954  98.4644      2.8339   98.4644      2.8339   98.4644      2.8339   9.91975  0.101028  ?        ?         
1 1 1 13 0  28 o 12.1122  0.152682  146.914      3.6973   146.914      3.6973   146.914      3.6973   12.1165  0.107905  ?        ?         
1 1 1 13 0  29 o 2.79495  0.245774  8.01609      1.34942  8.01609      1.34942  8.01609      1.34942  2.81361  0.171012  ?        ?         
1 1 1 13 0  30 o 3.14078  0.217705  10.0365      1.35244  10.0365      1.35244  10.0365      1.35244  3.15463  0.152384  ?        ?         
1 1 1 13 0  31 o 4.9357   0.154417  24.4787      1.52093  24.4787      1.52093  24.4787      1.52093  4.94164  0.108936  ?        ?         
1 1 1 13 0  32 o 6.89979  0.136386  47.7499      1.88041  47.7499      1.88041  47.7499      1.88041  6.90497  0.0963242 ?        ?         
1 1 1 13 0  33 o 4.4547   0.166568  19.9904      1.47931  19.9904      1.47931  19.9904      1.47931  4.46293  0.117375  ?        ?         
1 1 1 13 0  34 o 0.880851 0.503619  1.0822       1.37673  1.0822       1.37673  1.0822       1.37673  0.846802 0.442872  ?        ?         
1 1 1 13 0  35 o 3.85621  0.206314  15.1031      1.58078  15.1031      1.58078  15.1031      1.58078  3.8713   0.144827  ?        ?         
1 1 1 13 0  36 o 1.84809  0.434739  4.02153      1.39463  4.02153      1.39463  4.02153      1.39463  1.94156  0.264906  ?        ?         
1 1 1 13 0  37 o 0.78671  0.492851  0.5356       1.56149  0.5356       1.56149  0.5356       1.56149  0.701608 0.427484  ?        ?         
1 1 1 13 0  38 o 1.14332  0.536506  2.04943      1.36589  2.04943      1.36589  2.04943      1.36589  1.22895  0.433571  ?        ?         
1 1 1 13 0  39 o 0.821705 0.500661  0.821395     1.51454  0.821395     1.51454  0.821395     1.51454  0.760655 0.440553  ?        ?         
1 1 1 13 0  40 o 1.97299  0.444067  4.6538       1.52644  4.6538       1.52644  4.6538       1.52644  2.08094  0.269465  ?        ?         
1 1 1 13 0  41 o 0.775471 0.481364  0.694285     1.4533   0.694285     1.4533   0.694285     1.4533   0.713103 0.423157  ?        ?         
1 1 1 13 0  42 o 0.848596 0.502132  1.12401      1.44018  1.12401      1.44018  1.12401      1.44018  0.826488 0.447017  ?        ?         
1 1 1 13 0  43 o 0.883421 0.507914  1.33923      1.40916  1.33923      1.40916  1.33923      1.40916  0.891166 0.452249  ?        ?         
1 1 1 13 0  44 o 0.975469 0.541143  1.84513      1.53069  1.84513      1.53069  1.84513      1.53069  1.04105  0.478169  ?        ?         
1 1 1 13 0  45 o 0.721574 0.473619  0.618216     1.65074  0.618216     1.65074  0.618216     1.65074  0.667805 0.4214    ?        ?         
1 1 1 13 0  46 o 0.924694 0.558525  2.08216      1.84855  2.08216      1.84855  2.08216      1.84855  1.00345  0.516009  ?        ?         
1 1 1 13 0  47 o 0.560004 0.414713  -3.10072     2.94457  -3.10072     2.94457  -3.10072     2.94457  0.470904 0.34873   ?        ?         
1 1 1 13 0  48 o 0.86226  0.582532  4.1684       2.83094  4.1684       2.83094  4.1684       2.83094  1.06297  0.607446  ?        ?         
1 1 1 13 1  0  o 55.5375  0.52992   3093.82      58.8487  3093.82      58.8487  3093.82      58.8487  55.5792  0.37439   ?        ?         
1 1 1 13 1  1  o 27.6211  0.184544  763.44       10.1946  765.764      14.3102  761.044      14.5269  27.6537  0.25874   27.5677  0.263477  
1 1 1 13 1  2  o 17.4728  0.117312  305.383      4.09955  306.064      5.74988  304.679      5.8466   17.4898  0.164378  17.45    0.167524  
1 1 1 13 1  3  o 4.82163  0.0410111 23.2489      0.39548  23.9758      0.555432 22.5015      0.563237 4.89634  0.0567191 4.7434   0.0593706 
1 1 1 13 1  4  o 8.54074  0.0628545 72.9503      1.07365  72.2071      1.50701  73.7164      1.52998  8.49675  0.0886816 8.58508  0.089107  
1 1 1 13 1  5  o 30.1438  0.201827  909.469      12.1676  915.734      17.1346  903.096      17.2817  30.2338  0.283368  30.0236  0.287801  
1 1 1 13 1  6  o 17.3868  0.116364  302.395      4.04639  302.138      5.71673  302.652      5.7282   17.3766  0.164495  17.3914  0.164685  
1 1 1 13 1  7  o 13.4211  0.0923431 180.164      2.4787   179.598      3.53442  180.712      3.4771   13.3986  0.131895  13.4402  0.129355  
1 1 1 13 1  8  o 1.07944  0.127553  1.16567      0.275372 0.747291     0.38874  1.58705      0.390134 0.848925 0.225207  1.2594   0.154888  
1 1 1 13 1  9  o 13.1624  0.106957  173.301      2.81562  174.381      4.00285  172.243      3.96125  13.2014  0.151607  13.1203  0.150959  
1 1 1 13 1  10 o 1.70957  0.0998973 2.92339      0.341562 3.35636      0.480053 2.47947      0.486087 1.83162  0.131046  1.57413  0.154399  
1 1 1 13 1  11 o 15.984   0.127294  255.602      4.06931  257.862      5.72294  253.291      5.78736  16.051   0.178273  15.9078  0.181903  
1 1 1 13 1  12 o 15.4559  0.11189   238.967      3.45871  238.327      4.82781  239.641      4.95748  15.4327  0.156415  15.4749  0.160178  
1 1 1 13 1  13 f 9.22632  0.0773492 85.138       1.4273   85.7669      2.0613   84.5588      1.97827  9.25956  0.111306  9.19421  0.107582  
1 1 1 13 1  14 o 17.7356  0.123477  314.666      4.37988  315.435      6.07451  313.833      6.32099  17.7541  0.171073  17.7084  0.178474  
1 1 1 13 1  15 o 2.9837   0.0930839 8.90423      0.55547  8.73948      0.782838 9.07128      0.788296 2.95567  0.13243   3.01127  0.130891  
1 1 1 13 1  16 o 25.6965  0.175967  660.677      9.04348  658.453      12.7518  662.927      12.8274  25.6459  0.248613  25.7328  0.249241  
1 1 1 13 1  17 o 23.9601  0.164821  574.32       7.89824  580.097      11.0396  568.262      11.3048  24.0755  0.229269  23.828   0.237216  
1 1 1 13 1  18 o 23.1187  0.159724  534.677      7.38521  537.248      10.4846  532.145      10.4044  23.1696  0.226257  23.0594  0.2256    
1 1 1 13 1  19 o 36.5     0.248061  1333.48      18.1085  1326.59      26.0671  1339.91      25.1747  36.3864  0.358199  36.5713  0.344186  
1 1 1 13 1  20 o 1.38919  0.252417  1.99308      0.675433 2.4404       0.985361 1.59661      0.927661 1.53076  0.33122   1.24687  0.354915  
1 1 1 13 1  21 o 5.15549  0.0900107 26.5835      0.928097 26.2447      1.31464  26.9201      1.31042  5.12208  0.128331  5.1876   0.126303  
1 1 1 13 1  22 o 5.62426  0.100389  31.6394      1.12922  30.3065      1.59254  32.9872      1.60143  5.50383  0.144675  5.74219  0.139444  
1 1 1 13 1  23 o 10.3769  0.101009  107.708      2.09631  108.056      3.00262  107.378      2.92805  10.3921  0.144466  10.3596  0.141321  
1 1 1 13 1  24 o 5.02815  0.114248  25.2926      1.14892  25.7257      1.64347  24.8786      1.60677  5.06997  0.162079  4.98583  0.161134  
1 1 1 13 1  25 o 10.4121  0.109933  108.466      2.28925  107.499      3.23179  109.439      3.24323  10.3629  0.15593   10.456   0.155089  
1 1 1 13 1  26 f 8.65806  0.103771  75.0045      1.79691  76.1154      2.5167   73.8491      2.56646  8.71966  0.144311  8.58854  0.149412  
1 1 1 13 1  27 f 10.2229  0.103246  104.58       2.11094  104.644      2.98466  104.515      2.98599  10.2224  0.145986  10.2161  0.146141  
1 1 1 13 1  28 o 10.3826  0.102843  107.895      2.13557  108.283      2.9239   107.451      3.12659  10.3972  0.14061   10.3559  0.150957  
1 1 1 13 1  29 o 5.70928  0.103707  32.6342      1.18419  30.8991      1.67182  34.3814      1.67759  5.55183  0.150565  5.85701  0.143212  
1 1 1 13 1  30 o 3.43911  0.140873  11.8594      0.968958 12.2003      1.38432  11.5319      1.35673  3.48356  0.198692  3.38666  0.200305  
1 1 1 13 1  31 o 3.03479  0.152022  9.24449      0.922711 8.53557      1.3031   9.95737      1.30673  2.90965  0.223927  3.14443  0.207785  
1 1 1 13 1  32 f 4.65815  0.112035  21.7524      1.04375  20.976       1.46433  22.5543      1.48814  4.56836  0.160269  4.73758  0.157057  
1 1 1 13 1  33 o 5.76292  0.103121  33.2937      1.18855  32.5638      1.66723  34.0479      1.69484  5.69227  0.146447  5.82071  0.145587  
1 1 1 13 1  34 o 2.54061  0.201824  6.53041      1.02551  7.88526      1.44745  5.16486      1.45315  2.78127  0.260213  2.23917  0.324484  
1 1 1 13 1  35 o 3.43794  0.160045  11.923       1.10045  11.8264      1.57543  12.0151      1.53779  3.40764  0.231162  3.43669  0.223732  
1 1 1 13 1  36 f 2.94603  0.173065  8.77705      1.01971  8.55659      1.4564   8.98905      1.42819  2.89065  0.251916  2.9658   0.240776  
1 1 1 13 1  37 o 1.61172  0.364604  2.85463      1.14794  2.68374      1.58818  3.04159      1.66115  1.54516  0.471166  1.63622  0.477942  
1 1 1 13 1  38 o 1.75218  0.286053  3.21153      1.00243  4.58062      1.42109  1.85564      1.41423  2.07246  0.342852  1.31247  0.448334  
1 1 1 13 1  39 o 1.31768  0.383458  1.95091      1.07123  2.23958      1.52453  1.66937      1.50556  1.40437  0.465488  1.2671   0.459721  
1 1 1 13 1  40 o 1.82722  0.288946  3.54904      1.05594  5.60067      1.49304  1.49586      1.49361  2.276    0.327997  1.21276  0.455116  
1 1 1 13 1  41 f 1.40063  0.363708  2.26738      1.0277   0.745429     1.4521   3.79473      1.45468  1.04099  0.429949  1.78933  0.414319  
1 1 1 13 1  42 o 1.0642   0.382229  1.25061      1.03847  2.96198      1.50633  -0.299517    1.43361  1.51654  0.458153  0.851451 0.386788  
1 1 1 13 1  43 o 1.49365  0.346777  2.67129      1.01691  4.02191      1.46384  1.4116       1.41371  1.77893  0.418051  1.11692  0.436778  
1 1 1 13 1  44 f 2.06184  0.274172  4.8308       1.1306   6.15887      1.61425  3.55204      1.58399  2.2305   0.361858  1.55     0.470128  
1 1 1 13 1  45 o 2.86592  0.22095   9.13224      1.26645  10.0336      1.79984  8.24831      1.78235  2.85995  0.314662  2.53572  0.35145   
1 1 1 13 1  46 o 0.738253 0.345556  -0.126759    1.26906  -0.697126    1.81682  0.416676     1.77341  0.780163 0.377573  0.869689 0.407329  
1 1 1 13 1  47 o 0.808654 0.394106  0.533504     2.06169  -1.22878     2.85393  2.45698      2.98159  0.771437 0.389326  0.918334 0.452296  
1 1 1 13 2  0  o 3.25175  0.0516068 10.5821      0.335434 10.5821      0.335434 10.5821      0.335434 3.25238  0.036474  ?        ?         
1 1 1 13 2  1  o 27.2167  0.179914  741.24       9.79331  736.849      13.776   745.726      13.9248  27.1268  0.253919  27.2895  0.255131  
1 1 1 13 2  2  o 1.36639  0.0561716 1.86715      0.153505 1.88052      0.215146 1.8533       0.219085 1.37123  0.0784501 1.36127  0.0804711 
1 1 1 13 2  3  o 24.3775  0.166719  594.612      8.12839  593.64       11.1117  595.73       11.9215  24.3511  0.228156  24.3919  0.244375  
1 1 1 13 2  4  o 24.033   0.163126  577.923      7.84083  580.754      10.9151  574.904      11.2706  24.0852  0.226595  23.9625  0.235172  
1 1 1 13 2  5  o 32.8755  0.220024  1081.98      14.4668  1077.22      20.1551  1087.04      20.7775  32.7857  0.307376  32.9329  0.315452  
1 1 1 13 2  6  o 28.4718  0.188805  811.322      10.7512  807.707      15.1355  815.005      15.2746  28.3964  0.266504  28.5241  0.267748  
1 1 1 13 2  7  o 28.2579  0.189316  799.206      10.6994  802.84       15.3593  795.781      14.913   28.309   0.27128   28.1855  0.264551  
1 1 1 13 2  8  o 12.3667  0.0877783 152.965      2.17105  153.654      3.04938  152.256      3.09173  12.3934  0.123025  12.3368  0.125306  
1 1 1 13 2  9  o 16.8944  0.137062  285.561      4.63115  286.34       6.6626   284.833      6.44186  16.913   0.196967  16.8689  0.190938  
1 1 1 13 2  10 o 6.78259  0.0585232 46.0078      0.793878 45.0944      1.11456  46.9484      1.13104  6.71461  0.0829955 6.85126  0.0825427 
1 1 1 13 2  11 o 15.9432  0.126948  254.3        4.04794  251.692      5.74955  256.863      5.70006  15.8576  0.181287  16.0199  0.177906  
1 1 1 13 2  12 o 14.5839  0.106224  212.754      3.0983   210.114      4.27993  215.661      4.49101  14.491   0.147675  14.6808  0.152956  
1 1 1 13 2  13 o 6.00022  0.0630319 36.0062      0.75641  35.3582      1.05951  36.6798      1.08024  5.94568  0.0890994 6.05577  0.089191  
1 1 1 13 2  14 o 5.86553  0.065344  34.4079      0.766554 35.8212      1.10655  33.1039      1.06291  5.98446  0.0924519 5.753    0.0923785 
1 1 1 13 2  15 o 7.63659  0.070494  58.3238      1.07667  58.0926      1.51794  58.5579      1.52738  7.62102  0.0995891 7.65148  0.0998093 
1 1 1 13 2  16 o 9.92783  0.0810182 98.573       1.60867  96.6423      2.24442  100.613      2.30688  9.82955  0.114167  10.0294  0.115006  
1 1 1 13 2  17 o 11.5294  0.0884697 132.943      2.04001  135.408      2.92327  130.603      2.84822  11.6351  0.125623  11.4268  0.124628  
1 1 1 13 2  18 o 17.7543  0.124064  315.287      4.40534  317.677      6.20797  312.863      6.25244  17.8194  0.174191  17.6837  0.176785  
1 1 1 13 2  19 o 19.1321  0.133052  366.137      5.09114  368.605      7.32429  363.829      7.08174  19.1936  0.1908    19.0691  0.185686  
1 1 1 13 2  20 o 9.45688  0.0843372 89.4444      1.59513  89.8071      2.37293  89.1454      2.15457  9.47527  0.125217  9.44054  0.114112  
1 1 1 13 2  21 o 9.72522  0.0863946 94.5947      1.68041  96.8655      2.47044  92.6392      2.29245  9.8404   0.125525  9.62349  0.119107  
1 1 1 13 2  22 o 1.75525  0.26283   3.08575      0.922665 3.73227      1.33213  2.48962      1.27917  1.89766  0.363977  1.54704  0.407663  
1 1 1 13 2  23 o 10.0462  0.100643  100.953      2.02216  102.101      2.9306   99.9107      2.79382  10.1016  0.145056  9.9929   0.13979   
1 1 1 13 2  24 f 6.24314  0.108063  38.9913      1.34931  40.1614      1.97586  37.9687      1.84707  6.33485  0.155952  6.15967  0.149932  
1 1 1 13 2  25 o 11.2074  0.108505  125.669      2.43213  125.765      3.48453  125.578      3.39626  11.2086  0.15544   11.2006  0.151611  
1 1 1 13 2  26 o 9.94251  0.104461  98.9116      2.07721  98.9316      2.91426  98.891       2.96156  9.94074  0.146582  9.9385   0.148994  
1 1 1 13 2  27 o 3.82126  0.142261  14.6216      1.08724  13.5466      1.56225  15.6312      1.51405  3.67501  0.21255   3.94878  0.191711  
1 1 1 13 2  28 o 6.35391  0.106468  40.4118      1.35298  40.8446      1.85717  39.9223      1.97507  6.38511  0.145429  6.31171  0.156461  
1 1 1 13 2  29 o 3.79578  0.136632  14.4377      1.03725  14.7936      1.50226  14.1134      1.43391  3.83812  0.195702  3.7492   0.191229  
1 1 1 13 2  30 o 1.59333  0.304137  2.65355      0.934455 1.87058      1.35187  3.36994      1.29312  1.36329  0.437906  1.78612  0.374037  
1 1 1 13 2  31 o 4.15728  0.122434  17.3258      1.01799  16.1806      1.46437  18.3968      1.41615  4.01139  0.182527  4.27941  0.165461  
1 1 1 13 2  32 o 1.7507   0.259197  3.10624      0.907556 3.33991      1.30341  2.88633      1.26443  1.76977  0.379214  1.64225  0.390215  
1 1 1 13 2  33 f 5.01012  0.111975  25.1759      1.12202  25.609       1.61382  24.7707      1.56104  5.04528  0.159934  4.9625   0.157284  
1 1 1 13 2  34 o 4.93245  0.119983  24.431       1.18362  23.7133      1.67812  25.1415      1.66969  4.84868  0.173049  4.99399  0.167169  
1 1 1 13 2  35 o 2.48621  0.217895  6.28322      1.08346  5.71063      1.58627  6.78396      1.48339  2.34311  0.338496  2.56733  0.288898  
1 1 1 13 2  36 o 4.01261  0.139693  16.2211      1.12107  16.026       1.65947  16.3849      1.5205   3.97015  0.208994  4.02036  0.189099  
1 1 1 13 2  37 o 1.04209  0.392894  0.92766      1.1158   0.566565     1.56127  1.30464      1.59523  1.07462  0.444945  1.22217  0.46713   
1 1 1 13 2  38 o 2.96619  0.178959  8.95863      1.06165  11.2175      1.51141  6.75857      1.4916   3.30016  0.228991  2.53784  0.293871  
1 1 1 13 2  39 o 0.710163 0.326416  -0.648006    1.06807  -1.40383     1.527    0.075968     1.49448  0.784592 0.369862  0.959108 0.417269  
1 1 1 13 2  40 o 2.11953  0.248049  4.70156      1.0515   5.19022      1.49635  4.22488      1.4779   2.18318  0.3427    1.91622  0.398814  
1 1 1 13 2  41 o 1.65115  0.32699   3.06045      1.04142  2.47864      1.48378  3.62533      1.46203  1.43081  0.45869   1.74129  0.423329  
1 1 1 13 2  42 o 1.44706  0.362348  2.49379      1.04734  3.15727      1.50209  1.86604      1.46109  1.56703  0.453443  1.24414  0.452734  
1 1 1 13 2  43 f 0.914648 0.36329   0.767135     0.990696 -0.67504     1.41271  2.16267      1.38968  0.785404 0.366521  1.28834  0.444146  
1 1 1 13 2  44 o 2.36209  0.245226  6.19242      1.15849  6.93606      1.61541  5.40497      1.66231  2.39669  0.337008  1.9965   0.428654  
1 1 1 13 2  45 o 0.665125 0.315496  -0.666118    1.13192  -0.121532    1.64014  -1.16139     1.56412  0.83523  0.391285  0.726182 0.351254  
1 1 1 13 2  46 o 0.820881 0.371567  0.478654     1.30709  -1.87774     1.92538  2.49296      1.78015  0.721129 0.357147  1.13236  0.472364  
1 1 1 13 2  47 o 0.761    0.37186   -0.0286683   1.87705  2.89008      2.87251  -2.20376     2.47971  0.943819 0.460919  0.713439 0.360647  
1 1 1 13 3  0  o 30.5294  0.285656  933.086      17.4384  933.086      17.4384  933.086      17.4384  30.5379  0.201914  ?        ?         
1 1 1 13 3  1  o 30.8755  0.208505  954.165      12.8754  949.228      17.7387  959.662      18.7179  30.7823  0.288131  30.9483  0.302406  
1 1 1 13 3  2  o 10.8414  0.0752211 117.55       1.631    118.301      2.31949  116.816      2.2939   10.8753  0.106641  10.8068  0.106132  
1 1 1 13 3  3  o 28.6226  0.191302  819.904      10.9511  825.815      15.4299  813.905      15.5452  28.7142  0.268681  28.5057  0.272668  
1 1 1 13 3  4  o 16.2401  0.11103   263.813      3.60627  263.812      4.99876  263.813      5.20774  16.238   0.153922  16.2376  0.16036   
1 1 1 13 3  5  o 18.2454  0.123072  333.009      4.491    335.021      6.31725  330.953      6.38577  18.2972  0.172629  18.1856  0.175572  
1 1 1 13 3  6  o 3.52588  0.0469589 12.4325      0.331143 12.1651      0.444295 12.7667      0.496686 3.48767  0.063695  3.57285  0.0695084 
1 1 1 13 3  7  o 9.66127  0.0685007 93.3509      1.32361  92.2971      1.85246  94.4501      1.89189  9.60603  0.0964215 9.7174   0.0973455 
1 1 1 13 3  8  o 7.66502  0.0629279 58.7585      0.964688 58.984       1.38243  58.5446      1.34682  7.67931  0.0900102 7.65068  0.0880194 
1 1 1 13 3  9  o 5.43115  0.0573594 29.4999      0.623055 28.7015      0.856648 30.3967      0.907846 5.35693  0.079957  5.51282  0.0823395 
1 1 1 13 3  10 o 9.00715  0.0683732 81.1391      1.2317   81.5689      1.7463   80.7136      1.7375   9.0304   0.0966898 8.98293  0.0967112 
1 1 1 13 3  11 o 8.1232   0.0756025 65.997       1.22827  64.2427      1.70432  67.8928      1.77171  8.01388  0.106336  8.23837  0.107528  
1 1 1 13 3  12 o 7.4658   0.0660771 55.7446      0.986637 55.5781      1.39917  55.9093      1.39149  7.45419  0.0938514 7.47639  0.0930589 
1 1 1 13 3  13 o 3.51327  0.0726193 12.3447      0.510262 12.8246      0.715331 11.8475      0.728077 3.5807   0.0998871 3.44153  0.105778  
1 1 1 13 3  14 f 8.82587  0.0742564 77.9062      1.31076  77.2199      1.84195  78.6103      1.86565  8.78633  0.104819  8.86507  0.105225  
1 1 1 13 3  15 o 2.10288  0.122922  4.4235       0.516981 4.73051      0.733257 4.12004      0.729005 2.17433  0.168617  2.0291   0.179637  
1 1 1 13 3  16 o 18.7927  0.137041  353.276      5.15072  354.926      7.1434   351.488      7.43372  18.8337  0.189644  18.7417  0.19832   
1 1 1 13 3  17 o 16.205   0.11548   262.653      3.74271  262.212      5.2887   263.097      5.2973   16.1897  0.163335  16.217   0.163325  
1 1 1 13 3  18 o 13.8632  0.0998757 192.218      2.7692   191.28       3.90248  193.169      3.93015  13.8283  0.141105  13.8964  0.141409  
1 1 1 13 3  19 o 1.65658  0.189358  2.74581      0.627374 3.10986      0.893005 2.391        0.881585 1.76257  0.253325  1.51887  0.300911  
1 1 1 13 3  20 o 11.6146  0.0910367 134.92       2.1147   132.918      2.9944   136.911      2.9869   11.5271  0.129885  11.6991  0.127655  
1 1 1 13 3  21 o 8.45185  0.0846174 71.4446      1.43035  70.3379      1.99145  72.624       2.05571  8.38551  0.118743  8.52066  0.120631  
1 1 1 13 3  22 o 9.21559  0.0968924 84.9457      1.78584  85.6588      2.5485   84.2577      2.50323  9.25315  0.13771   9.17719  0.136383  
1 1 1 13 3  23 o 14.6532  0.118037  214.798      3.45923  217.599      5.18722  212.555      4.6422   14.745   0.175898  14.5742  0.159261  
1 1 1 13 3  24 o 11.9588  0.11903   143.079      2.8469   146.348      4.18007  140.251      3.88803  12.0916  0.172851  11.8376  0.164225  
1 1 1 13 3  25 o 4.22235  0.137405  17.8431      1.16034  18.1912      1.59775  17.4545      1.6879   4.26177  0.187452  4.17405  0.20219   
1 1 1 13 3  26 o 9.45888  0.10198   89.5215      1.92924  89.4188      2.75286  89.6206      2.70448  9.45068  0.145644  9.46154  0.14292   
1 1 1 13 3  27 o 1.45427  0.343576  2.21715      0.984637 3.31001      1.4356   1.24637      1.35304  1.77418  0.412106  1.21139  0.436177  
1 1 1 13 3  28 o 3.95231  0.137224  15.647       1.0847   17.0588      1.52769  14.2117      1.54039  4.1239   0.185224  3.76278  0.204688  
1 1 1 13 3  29 o 2.71405  0.174586  7.39131      0.947671 8.32313      1.3565   6.50295      1.32449  2.87599  0.235832  2.54039  0.260687  
1 1 1 13 3  30 o 6.85253  0.0975089 47.0194      1.33637  47.9431      1.91852  46.1488      1.86253  6.91479  0.138726  6.78436  0.137267  
1 1 1 13 3  31 o 1.04665  0.352254  1.05117      0.873031 0.287778     1.24659  1.786        1.22305  0.960352 0.397607  1.3212   0.41564   
1 1 1 13 3  32 o 5.51372  0.104614  30.4685      1.15362  31.2884      1.67458  29.7279      1.59153  5.58095  0.150026  5.44061  0.146264  
1 1 1 13 3  33 o 2.98448  0.165148  8.9658       0.985763 7.12369      1.39157  10.8212      1.3966   2.64705  0.262854  3.27163  0.213441  
1 1 1 13 3  34 o 3.73677  0.141528  14.0459      1.05772  14.0852      1.46951  14.0036      1.52364  3.7319   0.196885  3.71936  0.204826  
1 1 1 13 3  35 o 2.45768  0.21638   6.14026      1.06358  6.47339      1.54378  5.83928      1.46739  2.50223  0.308481  2.37645  0.308736  
1 1 1 13 3  36 o 4.3385   0.131826  18.9496      1.14385  19.364       1.64703  18.5635      1.5898   4.37038  0.188431  4.27992  0.185727  
1 1 1 13 3  37 o 1.36035  0.380268  2.04544      1.07437  0.502269     1.46629  3.83426      1.5787   1.03749  0.430485  1.84144  0.435045  
1 1 1 13 3  38 o 2.58066  0.199773  6.8121       1.03109  6.45471      1.44368  7.18422      1.47313  2.48093  0.290955  2.62148  0.280974  
1 1 1 13 3  39 o 1.04262  0.386953  1.01614      1.0738   1.73327      1.50761  0.277726     1.52981  1.28018  0.46047   0.999485 0.42822   
1 1 1 13 3  40 o 1.22905  0.384803  1.70361      1.04997  0.959267     1.50687  2.40603      1.46383  1.10364  0.444385  1.42925  0.455336  
1 1 1 13 3  41 o 2.20877  0.241363  5.12937      1.06623  4.71532      1.5253   5.52503      1.49104  2.01541  0.392412  2.24362  0.332284  
1 1 1 13 3  42 o 1.73041  0.313785  3.4093       1.04598  5.06296      1.50316  1.85684      1.45643  2.06518  0.378     1.24012  0.451939  
1 1 1 13 3  43 o 0.554357 0.270562  -1.5137      0.984558 -1.28669     1.39127  -1.74144     1.39348  0.715379 0.342597  0.67577  0.327957  
1 1 1 13 3  44 o 0.619603 0.29743   -1.03991     1.06423  -2.45339     1.53882  0.255972     1.47341  0.649865 0.32123   0.885442 0.397974  
1 1 1 13 3  45 o 0.694292 0.325819  -0.449916    1.1552   0.305717     1.70323  -1.09363     1.57204  0.886745 0.409406  0.731012 0.35334   
1 1 1 13 3  46 o 0.686117 0.328872  -0.638785    1.28914  -1.14625     1.94874  -0.243904    1.71903  0.766535 0.375571  0.799162 0.382263  
1 1 1 13 3  47 o 0.975964 0.430304  2.18309      1.63518  -0.314001    2.15435  5.57673      2.51149  0.768175 0.379801  1.2123   0.534052  
1 1 1 13 4  0  o 6.68729  0.0699228 44.7369      0.934958 44.7369      0.934958 44.7369      0.934958 6.68793  0.0494321 ?        ?         
1 1 1 13 4  1  o 13.5346  0.0927809 183.219      2.5115   178.528      3.46371  188.42       3.64698  13.359   0.12964   13.724   0.132869  
1 1 1 13 4  2  o 25.4652  0.172274  648.895      8.77397  648.747      12.4093  649.043      12.4073  25.4538  0.243761  25.4596  0.243665  
1 1 1 13 4  3  o 42.333   0.285839  1795.34      24.2008  1812.77      34.5572  1778.56      33.9025  42.4977  0.406577  42.0961  0.40268   
1 1 1 13 4  4  o 40.1364  0.26572   1613.53      21.3301  1617.32      30.2581  1609.78      30.0733  40.1503  0.376811  40.057   0.375381  
1 1 1 13 4  5  o 7.33633  0.0543354 53.8254      0.797245 55.6918      1.15838  52.1457      1.09892  7.46216  0.0776168 7.22071  0.076095  
1 1 1 13 4  6  o 12.144   0.0848512 147.501      2.06086  147.647      2.85571  147.343      2.97707  12.149   0.117529  12.1363  0.122652  
1 1 1 13 4  7  o 9.49725  0.0705465 90.2089      1.34     88.9654      1.83133  91.6419      1.96589  9.43103  0.0970908 9.57171  0.102693  
1 1 1 13 4  8  o 3.55601  0.0547633 12.6462      0.389478 13.0207      0.553329 12.2785      0.548314 3.60814  0.0766779 3.50379  0.0782459 
1 1 1 13 4  9  o 5.85449  0.0582673 34.2781      0.682251 32.8708      0.962042 35.702       0.96768  5.73277  0.0839072 5.97459  0.080983  
1 1 1 13 4  10 o 12.0316  0.0897733 144.792      2.16024  145.365      3.06385  144.225      3.0463   12.0541  0.127088  12.0067  0.126858  
1 1 1 13 4  11 o 21.2056  0.164149  450.017      6.96177  455.262      9.94476  444.976      9.74903  21.3207  0.233219  21.0787  0.231253  
1 1 1 13 4  12 o 22.9971  0.160978  529.224      7.40406  525.902      10.1771  532.959      10.7918  22.9177  0.222035  23.0693  0.233899  
1 1 1 13 4  13 o 12.795   0.093616  163.747      2.39563  165.968      3.54179  161.873      3.25252  12.8798  0.137494  12.7203  0.127847  
1 1 1 13 4  14 o 7.69719  0.0734093 59.2542      1.13009  59.3897      1.6401   59.1318      1.55934  7.70543  0.106425  7.68878  0.101404  
1 1 1 13 4  15 o 12.0636  0.0899773 145.552      2.17089  147.086      3.09335  144.064      3.04738  12.1259  0.127551  12.0007  0.126966  
1 1 1 13 4  16 o 5.96365  0.069746  35.568       0.831883 35.6808      1.15179  35.4449      1.20278  5.97289  0.0964183 5.95306  0.101022  
1 1 1 13 4  17 o 11.298   0.0874206 127.658      1.97535  130.015      2.77689  125.243      2.81055  11.4012  0.121781  11.1899  0.125584  
1 1 1 13 4  18 o 15.9223  0.112124  253.567      3.57054  253.788      5.05559  253.347      5.04344  15.9277  0.158705  15.9138  0.158461  
1 1 1 13 4  19 o 11.0373  0.0863893 121.837      1.90701  120.962      2.68958  122.722      2.70433  10.9969  0.122288  11.0766  0.122074  
1 1 1 13 4  20 o 4.9081   0.085846  24.093       0.842682 23.6719      1.20699  24.4934      1.17704  4.86464  0.124058  4.94839  0.118931  
1 1 1 13 4  21 o 4.94397  0.092205  24.4473      0.911717 23.5578      1.30577  25.2934      1.27356  4.8527   0.13454   5.02839  0.126637  
1 1 1 13 4  22 o 5.19396  0.107308  26.9846      1.1147   27.3987      1.59458  26.5888      1.55888  5.23292  0.15236   5.15502  0.1512    
1 1 1 13 4  23 o 14.4124  0.115172  207.795      3.31981  207.119      4.87015  208.382      4.53734  14.3858  0.169269  14.4304  0.157214  
1 1 1 13 4  24 o 10.0197  0.11103   100.436      2.22497  101.344      3.2295   99.6162      3.06973  10.0626  0.160471  9.9768   0.153844  
1 1 1 13 4  25 o 10.6139  0.104901  112.711      2.22682  113.735      3.09932  111.618      3.20156  10.6595  0.145378  10.5594  0.151597  
1 1 1 13 4  26 o 3.42928  0.16024   11.777       1.09902  12.4143      1.61308  11.2248      1.50141  3.51822  0.229246  3.34563  0.224384  
1 1 1 13 4  27 o 5.9962   0.104757  35.9819      1.25629  37.5007      1.81828  34.5946      1.73777  6.11903  0.148576  5.8772   0.14784   
1 1 1 13 4  28 o 2.11769  0.231248  4.50687      0.979421 4.92069      1.37875  4.08533      1.39156  2.20831  0.312174  1.97833  0.365439  
1 1 1 13 4  29 o 4.29546  0.119425  18.4811      1.02597  17.7097      1.46806  19.2175      1.43441  4.20094  0.17473   4.37704  0.163856  
1 1 1 13 4  30 o 0.707336 0.314427  -0.33186     0.897297 0.0690101    1.27986  -0.719373    1.25836  0.931921 0.395205  0.798168 0.362528  
1 1 1 13 4  31 o 3.68817  0.131406  13.6431      0.969298 13.8179      1.37383  13.4698      1.36777  3.70621  0.185342  3.65904  0.186904  
1 1 1 13 4  32 o 1.18686  0.351687  1.46675      0.893387 0.172563     1.26721  2.74564      1.2597   0.942253 0.396094  1.60058  0.395331  
1 1 1 13 4  33 o 4.72687  0.120231  22.423       1.13663  20.3017      1.61075  24.527       1.60416  4.48797  0.179452  4.93645  0.162481  
1 1 1 13 4  34 f 2.55729  0.196228  6.61499      1.00363  6.69777      1.43555  6.53584      1.40368  2.55823  0.280574  2.52771  0.277657  
1 1 1 13 4  35 o 1.94042  0.267255  3.86237      1.03717  3.51673      1.49358  4.18427      1.44138  1.78466  0.424132  1.9658   0.380184  
1 1 1 13 4  36 o 2.11189  0.237278  4.55922      1.00221  5.68458      1.47479  3.5936       1.36612  2.3388   0.315289  1.81123  0.388345  
1 1 1 13 4  37 o 0.867481 0.358156  0.325143     1.00707  0.339587     1.38524  0.308952     1.46667  0.985687 0.414231  1.00291  0.424073  
1 1 1 13 4  38 o 0.911208 0.3657    0.526072     1.01576  0.164691     1.42359  0.90087      1.44978  0.959187 0.412092  1.10022  0.438695  
1 1 1 13 4  39 o 2.63189  0.20872   7.12682      1.09866  6.14252      1.54168  8.14252      1.56608  2.39741  0.321529  2.78119  0.281549  
1 1 1 13 4  40 o 2.4009   0.228303  5.99321      1.09626  7.12377      1.60349  5.00101      1.50216  2.57554  0.311292  2.13791  0.351316  
1 1 1 13 4  41 o 1.60724  0.339204  2.92993      1.05646  4.09091      1.51671  1.83578      1.4724   1.85522  0.418684  1.27121  0.455278  
1 1 1 13 4  42 f 1.65912  0.332088  3.18704      1.06304  3.55226      1.48912  2.8075       1.51802  1.67104  0.43962   1.46824  0.463275  
1 1 1 13 4  43 o 1.50598  0.343476  2.72669      1.012    2.26564      1.4704   3.14164      1.39495  1.30264  0.45611   1.54288  0.433958  
1 1 1 13 4  44 o 1.02062  0.38824   1.27597      1.0976   1.47173      1.53295  1.07004      1.57228  1.08479  0.443894  1.01893  0.435257  
1 1 1 13 4  45 o 0.944098 0.385769  1.11408      1.15612  1.8519       1.67144  0.437275     1.60084  1.0878   0.45598   0.884495 0.403643  
1 1 1 13 4  46 o 1.32677  0.432846  2.99148      1.31821  3.2146       1.99027  2.81711      1.75945  1.20011  0.499972  1.17438  0.477223  
1 1 1 13 4  47 o 0.692321 0.341     -0.803306    1.66415  -3.00159     2.21032  2.07363      2.52859  0.660417 0.33434   0.916859 0.444025  
1 1 1 13 5  0  o 19.3589  0.182481  375.006      7.06385  375.006      7.06385  375.006      7.06385  19.362   0.129     ?        ?         
1 1 1 13 5  1  o 10.9712  0.0762117 120.382      1.67226  118.236      2.3254   122.681      2.40656  10.8722  0.106942  11.0747  0.108651  
1 1 1 13 5  2  o 15.4038  0.108974  237.341      3.35724  235.442      4.88455  239.04       4.62201  15.3397  0.159213  15.457   0.149512  
1 1 1 13 5  3  o 19.0349  0.130851  362.467      4.98146  359.712      7.07661  365.173      7.0135   18.9585  0.186635  19.1021  0.183579  
1 1 1 13 5  4  o 11.0888  0.0777722 122.979      1.7248   124.323      2.46566  121.691      2.41365  11.1484  0.110584  11.0298  0.109415  
1 1 1 13 5  5  o 12.9926  0.0882871 168.838      2.29415  167.406      3.21794  170.319      3.27157  12.9361  0.124378  13.0482  0.125365  
1 1 1 13 5  6  o 9.35544  0.0703615 87.535       1.31653  86.0993      1.81743  89.1202      1.90969  9.27787  0.0979445 9.43915  0.101158  
1 1 1 13 5  7  o 14.3202  0.101403  205.121      2.90421  204.064      4.08876  206.198      4.12584  14.2814  0.14315   14.3558  0.143699  
1 1 1 13 5  8  o 11.9075  0.0891241 141.817      2.12249  142.701      2.97944  140.907      3.02436  11.9433  0.124733  11.8679  0.127417  
1 1 1 13 5  9  o 8.98044  0.0755924 80.6608      1.35771  80.4865      1.8967   80.8438      1.94436  8.97008  0.105724  8.9899   0.108142  
1 1 1 13 5  10 o 5.83409  0.0612527 34.0401      0.714708 35.0766      1.00425  32.9764      1.01738  5.92196  0.0847904 5.74189  0.0885926 
1 1 1 13 5  11 o 11.2619  0.0915736 126.86       2.06259  129.415      2.92207  124.322      2.91183  11.3735  0.128459  11.1474  0.130606  
1 1 1 13 5  12 f 8.00928  0.0695416 64.1566      1.11396  64.2398      1.57031  64.0722      1.58048  8.01398  0.0979734 8.0035   0.0987367 
1 1 1 13 5  13 o 19.7151  0.135934  388.858      5.35989  389.429      7.58744  388.29       7.57265  19.725   0.192331  19.6961  0.192237  
1 1 1 13 5  14 o 6.95855  0.0731757 48.4274      1.01839  48.9568      1.48847  47.9615      1.39638  6.99598  0.106381  6.92459  0.100828  
1 1 1 13 5  15 o 15.3731  0.109241  236.385      3.35876  235.103      4.72419  237.696      4.77624  15.3296  0.154087  15.4139  0.154933  
1 1 1 13 5  16 o 22.2812  0.159066  496.651      7.08838  497.232      9.91796  496.044      10.1345  22.2899  0.222477  22.2628  0.227611  
1 1 1 13 5  17 o 20.1988  0.139425  408.108      5.63243  407.588      7.88068  408.651      8.05304  20.183   0.19523   20.2091  0.199243  
1 1 1 13 5  18 o 25.0136  0.168564  625.946      8.43278  627.9        11.9602  624.014      11.8916  25.047   0.238756  24.9694  0.238123  
1 1 1 13 5  19 o 4.70252  0.0827138 22.1163      0.777927 21.1402      1.11757  23.0338      1.08353  4.59727  0.121548  4.79883  0.112895  
1 1 1 13 5  20 o 17.7238  0.125273  314.234      4.44064  316.58       6.38901  312.041      6.17642  17.7869  0.179599  17.6592  0.174878  
1 1 1 13 5  21 o 10.7883  0.0913681 116.407      1.97141  117.523      2.81077  115.327      2.76575  10.8388  0.129662  10.7371  0.128794  
1 1 1 13 5  22 o 7.34003  0.097845  53.8885      1.43637  54.2199      2.08589  53.5897      1.98084  7.3616   0.141674  7.31885  0.135325  
1 1 1 13 5  23 o 10.3734  0.096465  107.637      2.00134  106.861      2.9056   108.337      2.76061  10.3344  0.140579  10.4058  0.132647  
1 1 1 13 5  24 o 5.52253  0.115425  30.5126      1.27487  28.6991      1.83617  32.2004      1.77145  5.35438  0.171465  5.6721   0.156155  
1 1 1 13 5  25 o 2.90234  0.186743  8.43724      1.08398  7.82061      1.51449  9.08494      1.55218  2.79172  0.271246  3.00943  0.257885  
1 1 1 13 5  26 o 8.07361  0.0986573 65.2198      1.59304  66.1049      2.26672  64.3559      2.23933  8.12594  0.139475  8.01771  0.139649  
1 1 1 13 5  27 o 1.34284  0.363447  1.88109      0.999896 2.81295      1.43692  1.00623      1.39227  1.63674  0.432421  1.1638   0.43885   
1 1 1 13 5  28 o 5.62199  0.107646  31.6423      1.21037  30.8655      1.6728   32.4958      1.7535   5.54959  0.150714  5.694    0.153978  
1 1 1 13 5  29 o 0.647023 0.298694  -0.729079    0.90627  -0.515061    1.29861  -0.932275    1.26535  0.844514 0.37675   0.773809 0.355508  
1 1 1 13 5  30 o 4.85032  0.10875   23.5657      1.05495  23.7237      1.51149  23.4157      1.47309  4.86217  0.155434  4.83083  0.152467  
1 1 1 13 5  31 o 2.6498   0.171257  7.0578       0.907593 8.64669      1.3152   5.61324      1.25404  2.92744  0.224633  2.35445  0.266313  
1 1 1 13 5  32 o 4.9214   0.108916  24.2799      1.07204  25.3337      1.52736  23.2566      1.50506  5.02129  0.152089  4.81038  0.156439  
1 1 1 13 5  33 o 1.16354  0.368318  1.38893      0.958929 1.32429      1.39438  1.44693      1.32087  1.21781  0.442363  1.23393  0.432273  
1 1 1 13 5  34 o 5.24432  0.113432  27.6103      1.18975  27.2061      1.67278  28.0241      1.69251  5.19558  0.160981  5.27323  0.160481  
1 1 1 13 5  35 o 3.33732  0.1681    11.2512      1.12201  12.0854      1.6712   10.5666      1.51395  3.43978  0.242922  3.2185   0.235195  
1 1 1 13 5  36 o 1.14981  0.373711  1.36975      0.982626 1.6682       1.42329  1.09795      1.35827  1.28749  0.44894   1.14191  0.432615  
1 1 1 13 5  37 o 0.762813 0.335293  -0.155191    0.985427 0.765772     1.38672  -1.09466     1.40059  1.06694  0.427668  0.783606 0.365396  
1 1 1 13 5  38 o 1.50736  0.362879  2.53495      1.08245  2.99087      1.6216   2.16852      1.45375  1.60389  0.473412  1.39221  0.454554  
1 1 1 13 5  39 o 1.87525  0.285323  3.70944      1.0701   2.87185      1.50474  4.56648      1.52211  1.56346  0.454307  2.00911  0.392813  
1 1 1 13 5  40 o 0.979924 0.378539  0.820586     1.05512  0.533497     1.51982  1.08769      1.46598  1.0289   0.433208  1.12081  0.442946  
1 1 1 13 5  41 o 1.87078  0.286988  3.76128      1.07378  4.38488      1.5241   3.14667      1.51307  1.92695  0.407967  1.60014  0.452571  
1 1 1 13 5  42 o 1.00745  0.379487  1.05875      1.04036  1.19738      1.51214  0.934137     1.43359  1.10144  0.444474  1.04088  0.428153  
1 1 1 13 5  43 o 0.806736 0.349646  0.230853     1.04185  0.7056       1.46306  -0.257563    1.48397  0.981406 0.419568  0.848468 0.387789  
1 1 1 13 5  44 o 0.902871 0.373102  0.771248     1.09441  0.702457     1.53605  0.842174     1.55969  0.957301 0.419709  0.980902 0.426505  
1 1 1 13 5  45 o 0.59471  0.290172  -1.32037     1.12948  -1.3695      1.59365  -1.27079     1.60102  0.709377 0.345861  0.718605 0.349617  
1 1 1 13 5  46 o 0.994326 0.414705  1.65024      1.37168  1.18798      2.11702  1.98473      1.80083  0.9385   0.440539  1.02714  0.452359  
1 1 1 13 5  47 o 0.837351 0.391902  0.990342     1.63081  0.512641     2.18294  1.5937       2.45329  0.821323 0.401262  0.893006 0.433937  
1 1 1 13 6  0  o 42.9117  0.402213  1845.27      34.5124  1845.27      34.5124  1845.27      34.5124  42.934   0.284232  ?        ?         
1 1 1 13 6  1  o 22.3125  0.151436  498.108      6.75783  496.341      9.52188  499.901      9.59254  22.267   0.213811  22.3466  0.21463   
1 1 1 13 6  2  o 13.2744  0.0933478 176.246      2.47828  173.271      3.44878  179.422      3.56367  13.1606  0.131027  13.3921  0.133051  
1 1 1 13 6  3  o 29.7127  0.207901  883.734      12.3546  880.367      17.6124  886.996      17.3349  29.6402  0.297103  29.7528  0.291317  
1 1 1 13 6  4  o 6.68237  0.05244   44.657       0.700847 44.3545      1.00017  44.9487      0.98236  6.65947  0.0750941 6.70395  0.0732673 
1 1 1 13 6  5  o 13.074   0.0886975 170.962      2.31926  172.638      3.31028  169.346      3.25039  13.1366  0.125995  13.0108  0.124911  
1 1 1 13 6  6  o 14.468   0.100014  209.376      2.89402  207.856      4.06215  210.942      4.12407  14.4136  0.140914  14.5202  0.142012  
1 1 1 13 6  7  o 8.06632  0.064635  65.0726      1.04273  64.6047      1.45011  65.5735      1.50048  8.03686  0.090216  8.09685  0.0926583 
1 1 1 13 6  8  o 4.9059   0.0528129 24.0696      0.518189 24.7564      0.732836 23.3828      0.732825 4.97522  0.0736486 4.83521  0.07578   
1 1 1 13 6  9  o 16.8731  0.129621  284.831      4.3742   283.857      6.08712  285.872      6.28997  16.8406  0.180728  16.8998  0.186096  
1 1 1 13 6  10 o 11.7302  0.0927358 137.632      2.17563  135.334      3.10912  139.836      3.04547  11.6304  0.133663  11.8225  0.1288    
1 1 1 13 6  11 o 2.32174  0.0945204 5.39175      0.438903 5.74195      0.602949 4.99704      0.640122 2.39573  0.125838  2.23479  0.143218  
1 1 1 13 6  12 o 12.5343  0.0925644 157.142      2.32045  157.012      3.27212  157.272      3.2912   12.5277  0.130595  12.5381  0.131248  
1 1 1 13 6  13 o 5.73244  0.0623584 32.864       0.714932 32.2637      1.00285  33.4844      1.01949  5.67957  0.0882856 5.78602  0.0880994 
1 1 1 13 6  14 o 10.17    0.0818263 103.445      1.66435  104.037      2.38883  102.886      2.32017  10.1983  0.11712   10.1418  0.114386  
1 1 1 13 6  15 o 2.36473  0.10687   5.59309      0.505437 5.80587      0.699954 5.36126      0.730624 2.40907  0.145275  2.31492  0.157808  
1 1 1 13 6  16 o 17.4506  0.128581  304.599      4.48764  308.294      6.27193  300.723      6.42376  17.554   0.178647  17.3368  0.185264  
1 1 1 13 6  17 o 21.2199  0.147383  450.429      6.25489  447.567      8.79607  453.355      8.89627  21.1489  0.207956  21.2851  0.208978  
1 1 1 13 6  18 o 11.0767  0.0854966 122.707      1.89404  124.109      2.70047  121.35       2.65722  11.1392  0.121215  11.0147  0.120622  
1 1 1 13 6  19 o 4.16342  0.0856511 17.3363      0.713202 16.386       0.999433 18.3223      1.01807  4.04742  0.123466  4.27992  0.118935  
1 1 1 13 6  20 f 10.8     0.0883785 116.659      1.90898  114.989      2.69714  118.336      2.70228  10.7215  0.125781  10.8765  0.124225  
1 1 1 13 6  21 o 6.98725  0.0861859 48.8295      1.2044   48.7579      1.73778  48.8957      1.67077  6.9815   0.124456  6.99145  0.119487  
1 1 1 13 6  22 o 10.4918  0.111813  110.113      2.34625  106.443      3.26469  114.034      3.37421  10.3139  0.158267  10.6753  0.158038  
1 1 1 13 6  23 o 12.4097  0.111159  154.056      2.7589   154.03       3.86759  154.083      3.93667  12.4064  0.15587   12.4084  0.158629  
1 1 1 13 6  24 o 6.76802  0.100332  45.8231      1.3581   46.0837      1.97507  45.5894      1.87049  6.78584  0.145528  6.74959  0.138563  
1 1 1 13 6  25 o 7.81709  0.100248  61.1364      1.56729  60.5343      2.14371  61.8279      2.29723  7.77681  0.137827  7.85902  0.146152  
1 1 1 13 6  26 o 4.51858  0.123618  20.4361      1.11715  22.207       1.55966  18.5703      1.60093  4.70859  0.165619  4.3049   0.185943  
1 1 1 13 6  27 o 3.85174  0.145438  14.8592      1.12038  14.6305      1.64761  15.0559      1.52804  3.81832  0.215751  3.87454  0.19719   
1 1 1 13 6  28 o 6.79331  0.0981936 46.1943      1.33412  46.703       1.8769   45.6748      1.89671  6.82746  0.137452  6.75161  0.140464  
1 1 1 13 6  29 o 2.25846  0.207555  5.12715      0.937508 6.08367      1.34526  4.22394      1.30723  2.45538  0.27394   2.0426   0.319992  
1 1 1 13 6  30 o 3.42176  0.138933  11.7417      0.950787 12.375       1.35136  11.1208      1.33797  3.50818  0.192602  3.32481  0.20121   
1 1 1 13 6  31 o 3.76659  0.125918  14.2278      0.948561 14.3151      1.34431  14.1413      1.33865  3.7727   0.178163  3.74968  0.178501  
1 1 1 13 6  32 o 5.83594  0.0983826 34.1276      1.14831  33.8604      1.6332   34.3889      1.61487  5.80698  0.140624  5.85257  0.137963  
1 1 1 13 6  33 o 1.75259  0.270902  3.13021      0.949559 2.3057       1.36541  3.90245      1.32142  1.46893  0.434674  1.91549  0.35821   
1 1 1 13 6  34 o 0.736896 0.324054  -0.197118    0.921358 -1.11185     1.305    0.712027     1.301    0.756915 0.352856  1.05187  0.41678   
1 1 1 13 6  35 o 2.10867  0.255459  4.5509       1.07736  4.32125      1.58674  4.74733      1.46747  1.98582  0.413191  2.1336   0.343896  
1 1 1 13 6  36 o 0.95845  0.365074  0.721512     0.971583 1.02563      1.34261  0.387175     1.40775  1.12157  0.428587  1.00909  0.420444  
1 1 1 13 6  37 o 0.635547 0.29915   -1.0065      0.991677 -2.09022     1.36983  0.186941     1.4375   0.674367 0.326628  0.973384 0.416005  
1 1 1 13 6  38 o 1.77428  0.333002  3.44204      1.13811  2.43223      1.63218  4.39769      1.58781  1.4635   0.481643  1.96896  0.416071  
1 1 1 13 6  39 o 0.766774 0.340024  -0.203588    1.04108  -0.650224    1.43205  0.29706      1.51616  0.836324 0.3817    0.996048 0.426512  
1 1 1 13 6  40 o 1.88118  0.292745  3.77184      1.10141  3.62264      1.53487  3.93022      1.58142  1.74617  0.439499  1.82062  0.438816  
1 1 1 13 6  41 o 2.66241  0.206278  7.37108      1.09839  8.49196      1.60035  6.3728       1.51029  2.80934  0.284826  2.41636  0.312513  
1 1 1 13 6  42 o 1.03985  0.378032  1.19177      1.01849  0.661479     1.43007  1.73762      1.45089  0.98967  0.418625  1.20686  0.449418  
1 1 1 13 6  43 o 2.24756  0.238816  5.48523      1.07351  6.72668      1.54536  4.32747      1.49236  2.41486  0.319969  1.83234  0.41655   
1 1 1 13 6  44 o 0.771934 0.34344   0.105993     1.07261  -1.3152      1.50782  1.56195      1.52615  0.721894 0.348351  1.09705  0.444947  
1 1 1 13 6  45 o 0.804454 0.35782   0.390066     1.16367  -0.808301    1.6518   1.57086      1.63964  0.761811 0.366871  1.03116  0.442609  
1 1 1 13 6  46 o 0.839247 0.378053  0.775195     1.33702  2.09499      2.05391  -0.195335    1.76129  1.0106   0.460119  0.784911 0.378201  
1 1 1 13 6  47 o 0.854142 0.391939  1.16198      1.53281  0.519801     1.95127  2.19686      2.47706  0.809841 0.391824  0.928906 0.447812  
1 1 1 13 7  0  o 8.26279  0.0957154 68.3084      1.58127  68.3084      1.58127  68.3084      1.58127  8.26384  0.0676621 ?        ?         
1 1 1 13 7  1  o 23.0914  0.156593  533.519      7.2319   534.064      10.2328  532.974      10.2222  23.0965  0.221522  23.0729  0.221519  
1 1 1 13 7  2  o 23.8649  0.165511  569.899      7.89978  566.558      11.1101  573.315      11.2349  23.7871  0.233532  23.9283  0.234762  
1 1 1 13 7  3  o 10.4466  0.0752901 109.146      1.57305  107.094      2.18987  111.335      2.26109  10.3472  0.10582   10.5501  0.10716   
1 1 1 13 7  4  o 34.0304  0.235246  1159.62      16.011   1161.86      22.6807  1157.41      22.6055  34.0397  0.333151  33.9746  0.332682  
1 1 1 13 7  5  o 28.2362  0.193212  798.024      10.9111  799.565      15.6333  796.561      15.2357  28.2495  0.2767    28.1977  0.270159  
1 1 1 13 7  6  o 4.13984  0.0475657 17.1393      0.393829 17.098       0.562322 17.179       0.551745 4.13473  0.0679999 4.14452  0.0665632 
1 1 1 13 7  7  f 24.0247  0.175022  577.646      8.40968  576.908      12.1892  578.316      11.6176  23.9986  0.253956  24.0298  0.241732  
1 1 1 13 7  8  o 17.0502  0.121288  290.824      4.13596  289.034      5.8856   292.571      5.81334  16.9941  0.173166  17.0981  0.17      
1 1 1 13 7  9  o 15.7374  0.123173  247.769      3.87685  250.966      5.54555  244.712      5.42193  15.8352  0.175102  15.6368  0.173371  
1 1 1 13 7  10 o 3.82944  0.0623823 14.6662      0.477778 15.4287      0.679274 13.9196      0.672142 3.92753  0.086476  3.73047  0.0900881 
1 1 1 13 7  11 o 15.6011  0.118272  243.484      3.69035  243.242      5.02214  243.767      5.44085  15.5909  0.16106   15.6068  0.17431   
1 1 1 13 7  12 o 18.1494  0.133094  329.544      4.83113  329.904      6.75337  329.166      6.91396  18.1554  0.185988  18.1347  0.190628  
1 1 1 13 7  13 o 4.3349   0.0664124 18.7933      0.575782 18.2967      0.801353 19.3232      0.82785  4.27702  0.0936812 4.39535  0.0941733 
1 1 1 13 7  14 o 5.32406  0.0702806 28.3485      0.748356 28.9493      1.05451  27.7389      1.0622   5.37991  0.0980047 5.26621  0.100851  
1 1 1 13 7  15 o 21.6447  0.149142  468.669      6.45624  461.642      8.81128  476.816      9.48713  21.478   0.205123  21.8272  0.217324  
1 1 1 13 7  16 o 12.1856  0.0960232 148.51       2.34021  151.031      3.27418  145.877      3.3461   12.2878  0.133228  12.0762  0.138541  
1 1 1 13 7  17 o 10.6127  0.0842318 112.642      1.78786  110.357      2.50144  115.029      2.55629  10.504   0.119071  10.724   0.119185  
1 1 1 13 7  18 o 29.6538  0.200883  879.886      11.9139  882.81       17.0859  877.119      16.6214  29.693   0.287708  29.5981  0.280785  
1 1 1 13 7  19 o 4.73001  0.0836353 22.3759      0.791192 22.5224      1.10685  22.2227      1.13138  4.74519  0.116629  4.71348  0.120016  
1 1 1 13 7  20 f 7.66311  0.0792511 58.7308      1.21462  59.6427      1.74808  57.8797      1.68891  7.72184  0.113191  7.6069   0.111012  
1 1 1 13 7  21 o 5.09554  0.0987158 25.9701      1.00602  25.2143      1.40545  26.7642      1.44065  5.02029  0.139977  5.1723   0.139266  
1 1 1 13 7  22 o 7.61243  0.0889687 57.9609      1.35454  57.7144      1.97598  58.1795      1.86045  7.59533  0.130078  7.62608  0.121979  
1 1 1 13 7  23 o 11.4454  0.116026  131.05       2.65593  130.276      3.80224  131.788      3.71151  11.409   0.166633  11.4753  0.161717  
1 1 1 13 7  24 o 9.68954  0.0991384 93.9228      1.92121  93.1154      2.70517  94.7445      2.729    9.64594  0.140223  9.72995  0.140237  
1 1 1 13 7  25 o 2.15313  0.235738  4.64877      1.01515  5.6822       1.4103   3.53759      1.46239  2.37853  0.296463  1.83724  0.40868   
1 1 1 13 7  26 o 2.98442  0.170089  8.92254      1.01524  8.83619      1.44919  9.00576      1.42269  2.96713  0.244208  2.99576  0.237451  
1 1 1 13 7  27 o 4.08478  0.13266   16.708       1.08377  14.861       1.51944  18.6209      1.54629  3.84917  0.197372  4.30979  0.179392  
1 1 1 13 7  28 o 5.26409  0.104429  27.7422      1.09944  28.2846      1.57885  27.2316      1.53191  5.31225  0.148604  5.21257  0.146944  
1 1 1 13 7  29 o 3.07443  0.157104  9.48122      0.966014 9.1751       1.36082  9.79217      1.37154  3.01948  0.225341  3.11984  0.219809  
1 1 1 13 7  30 o 2.47341  0.181754  6.14811      0.899104 7.80435      1.27069  4.48749      1.27236  2.78263  0.228325  2.1038   0.302396  
1 1 1 13 7  31 o 3.18155  0.146278  10.1623      0.930779 9.8399       1.32174  10.4795      1.31097  3.12393  0.211551  3.22488  0.203258  
1 1 1 13 7  32 o 1.78473  0.246491  3.22687      0.879843 2.83782      1.24461  3.61551      1.24396  1.62716  0.387471  1.84925  0.349093  
1 1 1 13 7  33 f 3.38002  0.154185  11.4974      1.04229  11.3823      1.48611  11.6088      1.46224  3.35191  0.22168   3.38622  0.21591   
1 1 1 13 7  34 o 5.21403  0.109388  27.2883      1.14071  27.6076      1.64205  26.9905      1.58583  5.23394  0.156865  5.17605  0.15319   
1 1 1 13 7  35 o 5.066    0.131093  25.8226      1.32823  24.44        1.93499  27.0545      1.82651  4.90931  0.197073  5.1723   0.176567  
1 1 1 13 7  36 o 2.51682  0.200979  6.43694      1.01166  7.35798      1.4133   5.46913      1.44875  2.67511  0.264159  2.29284  0.315929  
1 1 1 13 7  37 o 1.35365  0.358155  2.02118      0.984821 2.06071      1.37472  1.9795       1.41151  1.37018  0.441738  1.3511   0.447902  
1 1 1 13 7  38 o 0.946337 0.384998  0.522751     1.14646  2.69297      1.61217  -1.69751     1.63065  1.52582  0.476642  0.792925 0.377326  
1 1 1 13 7  39 o 0.873896 0.362569  0.361181     1.03996  -0.55657     1.43983  1.36215      1.50369  0.849407 0.38633   1.19056  0.453971  
1 1 1 13 7  40 f 1.01983  0.385569  0.961574     1.07707  -0.705769    1.51276  2.67578      1.53387  0.84863  0.389392  1.49481  0.464517  
1 1 1 13 7  41 o 1.9457   0.2747    4.06337      1.06897  3.55092      1.52448  4.55906      1.49933  1.69757  0.443985  1.96882  0.394685  
1 1 1 13 7  42 o 0.893757 0.362973  0.620871     1.01724  -0.959089    1.42935  2.24236      1.44801  0.76704  0.36049   1.32437  0.453657  
1 1 1 13 7  43 o 1.0787   0.384378  1.40965      1.04833  1.64963      1.4866   1.17226      1.47857  1.15146  0.448386  1.05818  0.434968  
1 1 1 13 7  44 o 0.922329 0.37525   0.879138     1.08919  1.75009      1.57288  0.0766941    1.50975  1.13089  0.454569  0.864335 0.393782  
1 1 1 13 7  45 o 0.809338 0.361351  0.407176     1.19679  -0.424671    1.73957  1.15474      1.64909  0.805531 0.385125  0.96578  0.428151  
1 1 1 13 7  46 o 0.647647 0.316382  -0.974975    1.35626  -2.00296     1.84977  0.22012      1.99446  0.674771 0.336596  0.825338 0.398771  
1 1 1 13 7  47 o 0.759524 0.360749  0.370208     1.48427  -1.00606     1.96642  2.19262      2.26281  0.7124   0.354194  0.92533  0.441645  
1 1 1 13 8  0  o 21.9931  0.20692   484.073      9.09984  484.073      9.09984  484.073      9.09984  21.9974  0.146272  ?        ?         
1 1 1 13 8  1  o 8.33037  0.060173  69.4011      1.00253  69.1565      1.41305  69.649       1.42258  8.31531  0.0849664 8.34486  0.0852367 
1 1 1 13 8  2  o 23.1873  0.160923  537.986      7.46271  532.378      10.449   543.824      10.662   23.0589  0.226572  23.3052  0.228746  
1 1 1 13 8  3  o 19.4417  0.135352  378.147      5.26293  377.515      7.43574  378.782      7.45008  19.421   0.191436  19.4535  0.191484  
1 1 1 13 8  4  o 16.756   0.117343  280.861      3.93241  279.848      5.54411  281.887      5.57858  16.7229  0.165764  16.7837  0.16619   
1 1 1 13 8  5  o 22.7883  0.158388  519.636      7.2188   520.543      10.2258  518.736      10.1921  22.8008  0.224242  22.7612  0.223892  
1 1 1 13 8  6  o 10.929   0.0809908 119.463      1.7703   119.484      2.50382  119.443      2.50333  10.929   0.11455   10.9271  0.114547  
1 1 1 13 8  7  o 15.2292  0.111529  232.005      3.39698  232.629      5.00081  231.47       4.62884  15.2467  0.163996  15.2094  0.15217   
1 1 1 13 8  8  o 1.59499  0.0973213 2.54465      0.310453 2.46972      0.43863  2.61987      0.439466 1.57112  0.139592  1.6182   0.135789  
1 1 1 13 8  9  o 4.99098  0.0643681 24.9127      0.642519 25.3393      0.891637 24.4519      0.926696 5.03326  0.0885745 4.94429  0.0937138 
1 1 1 13 8  10 o 4.00143  0.0602406 16.013       0.482098 15.7044      0.670042 16.3443      0.694176 3.9625   0.084548  4.0424   0.0858619 
1 1 1 13 8  11 o 11.523   0.0901465 132.808      2.07752  133.404      2.94467  132.218      2.93149  11.5476  0.127501  11.4962  0.127498  
1 1 1 13 8  12 o 13.1314  0.0953637 172.471      2.50451  177.987      3.67386  167.682      3.42324  13.3381  0.137721  12.9464  0.132208  
1 1 1 13 8  13 o 1.01806  0.23005   1.07941      0.457421 1.08565      0.626468 1.07228      0.669451 1.02788  0.291368  1.02787  0.304407  
1 1 1 13 8  14 o 11.3602  0.087137  129.074      1.97979  128.855      2.67137  129.341      2.94885  11.3499  0.117683  11.3709  0.129666  
1 1 1 13 8  15 o 14.3819  0.105911  206.877      3.04641  205.501      4.28612  208.281      4.33078  14.3327  0.149523  14.4292  0.150069  
1 1 1 13 8  16 o 2.84778  0.101994  8.11108      0.580915 7.5822       0.819682 8.64478      0.823406 2.75312  0.148864  2.93977  0.140046  
1 1 1 13 8  17 o 25.2573  0.175496  638.224      8.86509  634.66       12.3311  642.036      12.7539  25.181   0.244849  25.3262  0.251792  
1 1 1 13 8  18 o 12.2872  0.0917073 150.995      2.25365  153.451      3.23261  148.673      3.14354  12.3858  0.130496  12.1915  0.128923  
1 1 1 13 8  19 o 25.4119  0.173156  646.129      8.80042  649.555      12.645   642.91       12.2555  25.4715  0.248218  25.3416  0.241806  
1 1 1 13 8  20 o 5.71435  0.0835973 32.6586      0.955408 33.2782      1.36787  32.0684      1.33503  5.76788  0.118577  5.66206  0.117893  
1 1 1 13 8  21 o 7.82576  0.0928006 61.2546      1.45247  59.2875      2.03264  63.307       2.07627  7.6983   0.132019  7.95501  0.130501  
1 1 1 13 8  22 o 14.759   0.112341  217.9        3.31609  219.314      4.81556  216.625      4.57314  14.804   0.162644  14.7134  0.155407  
1 1 1 13 8  23 o 14.2433  0.130413  202.98       3.71503  203.131      5.33864  202.837      5.17297  14.2446  0.187392  14.2347  0.181702  
1 1 1 13 8  24 o 2.21982  0.218338  4.93718      0.969341 4.10061      1.3654   5.78725      1.37637  1.98966  0.355988  2.4016   0.286553  
1 1 1 13 8  25 o 3.82188  0.137629  14.6211      1.05201  12.8071      1.46021  16.5788      1.51694  3.57486  0.204233  4.06806  0.186445  
1 1 1 13 8  26 o 8.86087  0.09612   78.5608      1.70341  77.389       2.40562  79.7392      2.41238  8.79184  0.13681   8.92447  0.135155  
1 1 1 13 8  27 f 5.52557  0.111952  30.5627      1.2372   31.2873      1.72782  29.8002      1.77236  5.58808  0.154599  5.45311  0.162509  
1 1 1 13 8  28 o 3.67623  0.130528  13.5392      0.9597   13.409       1.35014  13.6723      1.36442  3.65522  0.184686  3.69092  0.184835  
1 1 1 13 8  29 o 1.49992  0.313209  2.36226      0.908945 3.24698      1.26183  1.40809      1.31043  1.75391  0.37112   1.23591  0.43079   
1 1 1 13 8  30 o 1.22981  0.337383  1.58806      0.854488 1.55421      1.20879  1.62186      1.20806  1.25551  0.414493  1.27448  0.414368  
1 1 1 13 8  31 o 7.03501  0.0962526 49.5785      1.35428  48.6417      1.90052  50.5449      1.93029  6.96205  0.136492  7.09703  0.135993  
1 1 1 13 8  32 o 1.61853  0.288731  2.74519      0.901021 4.10337      1.29931  1.48703      1.25056  2.00269  0.324393  1.23698  0.421593  
1 1 1 13 8  33 o 2.95525  0.174855  8.80724      1.03348  8.75343      1.46113  8.8611       1.46199  2.93384  0.249014  2.9521   0.247618  
1 1 1 13 8  34 o 2.62084  0.17606   6.93701      0.922847 6.00512      1.30513  7.86883      1.30508  2.42217  0.269413  2.7804   0.234693  
1 1 1 13 8  35 o 2.10343  0.26024   4.53157      1.09479  3.71534      1.5878   5.2713       1.51156  1.83071  0.438726  2.25054  0.335821  
1 1 1 13 8  36 o 1.83313  0.265185  3.45564      0.97224  2.97483      1.34683  3.97881      1.40492  1.63818  0.411324  1.91001  0.381273  
1 1 1 13 8  37 o 1.14011  0.372055  1.37019      0.973941 0.500015     1.34369  2.33338      1.41369  1.00238  0.41377   1.44322  0.445438  
1 1 1 13 8  38 o 0.744811 0.339194  -0.553191    1.11778  -2.02996     1.66071  0.669936     1.51138  0.773034 0.371194  1.06727  0.439415  
1 1 1 13 8  39 o 1.37197  0.374057  2.14522      1.05436  2.17446      1.44265  2.11168      1.54476  1.37425  0.452816  1.36228  0.468404  
1 1 1 13 8  40 o 1.92682  0.288552  3.96055      1.11198  6.28604      1.59003  1.73444      1.55568  2.40402  0.330702  1.26581  0.466518  
1 1 1 13 8  41 o 1.72553  0.31239   3.34415      1.03848  4.24082      1.48042  2.4755       1.45711  1.88432  0.404482  1.41377  0.454683  
1 1 1 13 8  42 o 0.873476 0.358018  0.551826     0.998848 0.788556     1.41027  0.313539     1.4149   1.00597  0.42009   0.927013 0.404649  
1 1 1 13 8  43 o 1.41658  0.3761    2.5411       1.08363  0.862281     1.53488  4.20948      1.53011  1.00691  0.430084  1.77608  0.433873  
1 1 1 13 8  44 o 0.827842 0.35711   0.429904     1.07715  0.593532     1.55599  0.279329     1.49264  0.937897 0.415827  0.88474  0.398947  
1 1 1 13 8  45 o 1.02751  0.405211  1.58617      1.22442  0.330536     1.81793  2.6287       1.65648  0.879169 0.411884  1.19795  0.471665  
1 1 1 13 8  46 o 0.833626 0.375074  0.883349     1.31213  3.21265      1.86559  -1.3969      1.84584  1.13888  0.479761  0.700576 0.347605  
1 1 1 13 8  47 o 0.897896 0.403991  1.65319      1.52225  2.32312      2.14212  0.969745     2.16361  0.928929 0.437952  0.82987  0.404317  
1 1 1 13 9  0  o 33.6814  0.315746  1136.12      21.2653  1136.12      21.2653  1136.12      21.2653  33.6938  0.223162  ?        ?         
1 1 1 13 9  1  o 29.3317  0.198787  861.18       11.6615  860.542      16.4935  861.817      16.4903  29.3064  0.281398  29.3281  0.281135  
1 1 1 13 9  2  o 4.64502  0.0461434 21.5773      0.428674 20.8937      0.603876 22.2717      0.608625 4.57072  0.0660592 4.71905  0.064486  
1 1 1 13 9  3  f 4.95287  0.0480708 24.5323      0.476177 24.0575      0.670043 25.0167      0.676839 4.90456  0.0683081 5.00138  0.0676652 
1 1 1 13 9  4  o 13.4719  0.0988342 181.536      2.66296  182.239      3.82769  180.877      3.70719  13.4961  0.141807  13.4458  0.137857  
1 1 1 13 9  5  o 3.98796  0.0516367 15.9049      0.41185  15.4563      0.555751 16.4514      0.613393 3.93119  0.0706848 4.05573  0.0756206 
1 1 1 13 9  6  o 17.5121  0.130272  306.811      4.56268  302.966      6.46398  310.629      6.44127  17.398   0.185768  17.6169  0.182815  
1 1 1 13 9  7  o 8.51586  0.0653691 72.5283      1.11335  72.3436      1.56913  72.7156      1.57995  8.50452  0.0922527 8.52635  0.0926509 
1 1 1 13 9  8  o 10.6338  0.0868993 113.101      1.84814  113.757      2.61993  112.452      2.60744  10.6635  0.122846  10.6021  0.122968  
1 1 1 13 9  9  f 6.90223  0.068333  47.6471      0.943301 48.7583      1.37687  46.6641      1.29495  6.98177  0.0986046 6.83025  0.0947955 
1 1 1 13 9  10 o 2.27554  0.0852112 5.17906      0.387803 5.35739      0.541497 4.99129      0.555649 2.31418  0.116995  2.23366  0.124381  
1 1 1 13 9  11 o 9.78144  0.0807946 95.6922      1.58057  97.2274      2.2299   94.1422      2.24067  9.8588   0.113092  9.70105  0.115486  
1 1 1 13 9  12 o 21.355   0.148355  456.278      6.33625  462.179      9.16813  450.883      8.76694  21.4865  0.213347  21.223   0.206543  
1 1 1 13 9  13 o 18.8467  0.130497  355.335      4.91889  354.455      6.93954  356.223      6.9733   18.8197  0.184369  18.8665  0.184806  
1 1 1 13 9  14 o 10.6347  0.0805624 113.111      1.71352  114.105      2.40965  112.094      2.43715  10.6807  0.112804  10.5861  0.11511   
1 1 1 13 9  15 o 25.4751  0.18489   649.324      9.42017  652.143      12.9054  646.11       13.782   25.5242  0.252808  25.4039  0.271257  
1 1 1 13 9  16 o 35.3973  0.246073  1254.08      17.4206  1239.61      23.823   1270.72      25.5394  35.1779  0.338608  35.6128  0.358571  
1 1 1 13 9  17 o 17.0527  0.122316  290.859      4.17162  290.337      5.82009  291.41       5.98238  17.0355  0.170823  17.0667  0.175265  
1 1 1 13 9  18 o 10.9533  0.0851347 119.989      1.86501  119.375      2.6256   120.615      2.64962  10.9246  0.120169  10.9811  0.120644  
1 1 1 13 9  19 o 23.9898  0.164321  575.818      7.88408  579.52       11.0928  572.038      11.2076  24.0606  0.230518  23.9043  0.234427  
1 1 1 13 9  20 o 9.46884  0.0831296 89.6722      1.57428  86.5106      2.17932  93.1223      2.2766   9.29974  0.117171  9.64855  0.117976  
1 1 1 13 9  21 o 8.02898  0.0952381 64.4783      1.52933  63.1299      2.1848   65.7737      2.14145  7.94365  0.137519  8.10842  0.132051  
1 1 1 13 9  22 o 9.77455  0.092003  95.5641      1.79858  96.4946      2.6477   94.7668      2.45083  9.8207   0.134802  9.73269  0.125907  
1 1 1 13 9  23 o 5.03051  0.122474  25.3183      1.23221  25.9985      1.80643  24.7264      1.6851   5.09627  0.177231  4.97025  0.169518  
1 1 1 13 9  24 o 5.08714  0.110554  25.8927      1.12481  25.2773      1.56732  26.5463      1.61521  5.02496  0.155953  5.14952  0.156831  
1 1 1 13 9  25 o 12.4025  0.10673   153.916      2.64743  152.061      3.69765  155.868      3.79221  12.3239  0.15002   12.477   0.151968  
1 1 1 13 9  26 o 3.36697  0.152053  11.3537      1.02391  10.6176      1.42765  12.1335      1.46932  3.25325  0.219419  3.47815  0.211221  
1 1 1 13 9  27 f 1.52225  0.326542  2.42809      0.965464 1.60073      1.33259  3.3422       1.4007   1.29502  0.4352    1.78117  0.402619  
1 1 1 13 9  28 o 6.22143  0.0962665 38.7454      1.19783  37.5362      1.67302  40.0171      1.71576  6.12045  0.136675  6.31956  0.13575   
1 1 1 13 9  29 o 2.78132  0.171964  7.76648      0.956572 6.77167      1.33618  8.81239      1.37006  2.59069  0.25788   2.95792  0.231591  
1 1 1 13 9  30 o 3.15241  0.145777  9.9714       0.919098 9.72431      1.296    10.2214      1.30364  3.1075   0.208527  3.18636  0.204566  
1 1 1 13 9  31 o 2.32108  0.192429  5.42641      0.893285 4.97686      1.25242  5.89193      1.27446  2.21367  0.282884  2.41095  0.264307  
1 1 1 13 9  32 f 6.38665  0.0975131 40.8774      1.24556  40.2735      1.75921  41.4844      1.76378  6.33233  0.138907  6.42716  0.137213  
1 1 1 13 9  33 f 1.23016  0.360672  1.59998      0.944271 2.99946      1.33941  0.217144     1.33143  1.66208  0.405884  0.965476 0.405939  
1 1 1 13 9  34 o 2.71695  0.169703  7.45176      0.922148 6.30995      1.3185   8.54504      1.29019  2.48296  0.265511  2.89937  0.222494  
1 1 1 13 9  35 o 5.93092  0.118117  35.3532      1.40109  34.1303      1.96041  36.63        2.00315  5.81202  0.168651  6.02194  0.166321  
1 1 1 13 9  36 f 0.804152 0.341869  0.0872071    0.961788 1.06321      1.30793  -1.06195     1.41922  1.12092  0.424564  0.798448 0.370575  
1 1 1 13 9  37 o 2.51412  0.208873  6.467        1.05026  5.07215      1.4608   7.9595       1.51107  2.18826  0.333781  2.76694  0.273057  
1 1 1 13 9  38 o 1.27561  0.394617  1.80791      1.10865  2.46395      1.64334  1.25993      1.50192  1.46671  0.483287  1.17882  0.452478  
1 1 1 13 9  39 o 2.76154  0.198385  7.84957      1.0957   5.46734      1.53628  10.3159      1.56316  2.2427   0.342507  3.14051  0.248871  
1 1 1 13 9  40 o 1.8647   0.292301  3.7243       1.0901   4.65162      1.53111  2.77103      1.55239  2.0061   0.395703  1.51016  0.466915  
1 1 1 13 9  41 o 0.790404 0.343487  0.0819909    1.01057  -0.712066    1.41062  0.919218     1.44845  0.800439 0.370711  1.05633  0.43174   
1 1 1 13 9  42 o 1.28253  0.376332  2.00445      1.02765  1.56735      1.45794  2.43604      1.44874  1.16319  0.445998  1.36822  0.45377   
1 1 1 13 9  43 o 1.53551  0.37353   2.97764      1.13775  3.63984      1.62938  2.34753      1.58941  1.59084  0.475677  1.28788  0.471848  
1 1 1 13 9  44 o 0.627064 0.29916   -0.842827    1.03544  -0.374492    1.46975  -1.30432     1.45897  0.798268 0.373037  0.705847 0.341042  
1 1 1 13 9  45 o 0.888071 0.381384  0.903912     1.21847  0.160671     1.83168  1.49388      1.63192  0.862119 0.406021  1.00334  0.436265  
1 1 1 13 9  46 o 0.632348 0.309038  -0.937946    1.29761  -1.33736     1.84155  -0.544085    1.8287   0.698866 0.346816  0.745232 0.364825  
1 1 1 13 9  47 o 0.622435 0.308709  -1.16228     1.45139  -0.913966    2.05817  -1.40791     2.04703  0.709344 0.354012  0.685671 0.343682  
1 1 1 13 10 0  o 8.23786  0.0827717 67.8888      1.36341  67.8888      1.36341  67.8888      1.36341  8.23866  0.0585161 ?        ?         
1 1 1 13 10 1  o 13.5933  0.0937742 184.818      2.5494   186.442      3.63632  183.248      3.57525  13.6513  0.133186  13.534   0.132084  
1 1 1 13 10 2  f 17.4142  0.124489  303.373      4.33577  301.527      6.10144  305.255      6.16242  17.3577  0.175756  17.4647  0.176425  
1 1 1 13 10 3  o 10.7015  0.081047  114.541      1.73465  115.34       2.46772  113.761      2.43887  10.7378  0.114907  10.6641  0.11435   
1 1 1 13 10 4  o 7.55744  0.0632686 57.1209      0.956298 57.9122      1.36509  56.3583      1.34008  7.60921  0.0896997 7.50644  0.089262  
1 1 1 13 10 5  o 18.3349  0.134425  336.327      4.92932  333.813      6.9226   338.914      7.02064  18.2619  0.189537  18.4008  0.19077   
1 1 1 13 10 6  o 2.49374  0.0573803 6.21931      0.286183 7.15848      0.417607 5.3877       0.392965 2.67531  0.0780483 2.32092  0.0846572 
1 1 1 13 10 7  o 5.62828  0.0549932 31.6801      0.619034 32.2652      0.929818 31.2144      0.829618 5.67972  0.0818541 5.58656  0.0742512 
1 1 1 13 10 8  o 12.4877  0.0985493 155.985      2.46131  156.735      3.4499   155.208      3.51258  12.5161  0.137819  12.4548  0.141013  
1 1 1 13 10 9  o 8.98582  0.0744854 80.757       1.33862  79.5528      1.90178  81.9395      1.88453  8.91786  0.106628  9.05071  0.10411   
1 1 1 13 10 10 o 8.88315  0.082689  78.9243      1.46908  81.407       2.15582  76.7718      2.00731  9.02092  0.11949   8.76046  0.114566  
1 1 1 13 10 11 o 10.6143  0.0837969 112.683      1.77889  113.107      2.54898  112.281      2.48376  10.6333  0.119859  10.5945  0.11722   
1 1 1 13 10 12 o 3.0675   0.077834  9.41087      0.477511 10.2575      0.688497 8.62616      0.662838 3.20229  0.107501  2.93659  0.112859  
1 1 1 13 10 13 o 7.02822  0.0666764 49.4004      0.937233 48.5207      1.29025  50.3831      1.36369  6.96505  0.0926233 7.09742  0.0960695 
1 1 1 13 10 14 o 4.91329  0.0645086 24.1422      0.633899 24.3008      0.894779 23.9823      0.898169 4.92923  0.0907626 4.89681  0.0917095 
1 1 1 13 10 15 o 16.9773  0.12535   288.294      4.25621  287.232      5.85652  289.484      6.1962   16.9441  0.172819  17.01    0.182135  
1 1 1 13 10 16 o 5.96709  0.0710514 35.6088      0.84794  34.6566      1.14498  36.7653      1.26185  5.88657  0.0972541 6.06294  0.104063  
1 1 1 13 10 17 o 8.8032   0.0811471 77.5041      1.42871  77.0354      1.93749  78.0626      2.11518  8.77616  0.110384  8.83433  0.119713  
1 1 1 13 10 18 o 12.7915  0.0955391 163.649      2.44418  163.912      3.42179  163.374      3.49248  12.8008  0.133655  12.7797  0.136642  
1 1 1 13 10 19 o 4.50051  0.0851759 20.2576      0.76667  21.2991      1.10093  19.2769      1.06828  4.61442  0.119292  4.38989  0.121675  
1 1 1 13 10 20 o 12.0133  0.0945676 144.348      2.27214  145.407      3.20772  143.281      3.21889  12.0561  0.133033  11.9677  0.134483  
1 1 1 13 10 21 o 6.39282  0.0960583 40.8773      1.22817  39.7342      1.74883  41.9896      1.72519  6.30202  0.138752  6.47853  0.133146  
1 1 1 13 10 22 o 9.25201  0.0922549 85.6204      1.70709  84.4621      2.52554  86.5948      2.31637  9.18785  0.137439  9.30357  0.124488  
1 1 1 13 10 23 o 7.15475  0.109563  51.2115      1.56779  49.9142      2.23364  52.4713      2.2011   7.06195  0.158146  7.24082  0.151993  
1 1 1 13 10 24 o 8.99997  0.0956336 81.033       1.7214   81.9322      2.41647  80.1066      2.45278  9.04794  0.133537  8.94637  0.137083  
1 1 1 13 10 25 f 9.0841   0.0968669 82.5642      1.7599   84.89        2.51326  80.3264      2.46518  9.2088   0.136459  8.95777  0.1376    
1 1 1 13 10 26 o 8.26853  0.0961588 68.412       1.59018  68.4217      2.30197  68.4031      2.19926  8.26618  0.13924   8.26554  0.133038  
1 1 1 13 10 27 o 2.21794  0.213411  4.93941      0.946663 5.0192       1.30292  4.85019      1.37778  2.23181  0.291899  2.19259  0.31419   
1 1 1 13 10 28 o 5.81857  0.0986579 33.8927      1.1481   32.8         1.60495  35.0378      1.64302  5.72081  0.140273  5.91287  0.138936  
1 1 1 13 10 29 o 3.76464  0.131024  14.2062      0.986517 13.8269      1.38679  14.5948      1.40366  3.70948  0.186925  3.81135  0.184141  
1 1 1 13 10 30 o 6.06719  0.0966664 36.8677      1.17299  37.6225      1.65463  36.1052      1.66311  6.1244   0.135085  5.99915  0.138612  
1 1 1 13 10 31 o 1.21389  0.336534  1.55296      0.84489  1.66712      1.20139  1.44126      1.18842  1.282    0.412917  1.21668  0.410986  
1 1 1 13 10 32 o 2.13698  0.208065  4.61302      0.889262 5.65431      1.25301  3.5563       1.26225  2.35848  0.265639  1.82963  0.357707  
1 1 1 13 10 33 o 2.89191  0.168576  8.4315       0.975013 6.45117      1.33949  10.6632      1.42196  2.51457  0.266346  3.24327  0.219217  
1 1 1 13 10 34 o 2.26729  0.207032  5.21537      0.938801 6.02118      1.34061  4.43994      1.31509  2.42221  0.276732  2.07164  0.317404  
1 1 1 13 10 35 o 1.63637  0.316016  2.86105      0.997326 4.35996      1.42189  1.4095       1.39925  2.01042  0.367272  1.22476  0.443308  
1 1 1 13 10 36 o 2.08495  0.244396  4.46239      1.01911  5.16125      1.43158  3.74436      1.45108  2.22099  0.322284  1.83699  0.405811  
1 1 1 13 10 37 o 3.65671  0.155851  13.5493      1.1398   11.9732      1.53859  15.4663      1.69685  3.41292  0.225407  3.88211  0.218547  
1 1 1 13 10 38 o 0.616987 0.296109  -1.36732     1.05334  -1.31907     1.50528  -1.41362     1.4745   0.786916 0.369863  0.767525 0.362294  
1 1 1 13 10 39 o 2.71926  0.197053  7.60944      1.07168  8.08007      1.51257  7.13503      1.51862  2.76633  0.273389  2.58924  0.293256  
1 1 1 13 10 40 o 3.27831  0.176768  11.0383      1.159    11.8238      1.6336   10.2423      1.6446   3.35377  0.243546  3.10781  0.264591  
1 1 1 13 10 41 o 1.45947  0.359209  2.50972      1.04282  3.29917      1.47522  1.72125      1.47431  1.62074  0.442714  1.22102  0.45336   
1 1 1 13 10 42 o 1.65991  0.317996  3.18313      1.01804  3.84975      1.42084  2.47985      1.45938  1.75197  0.411961  1.37449  0.455435  
1 1 1 13 10 43 o 1.5892   0.357755  3.14481      1.10965  3.48133      1.54998  2.79099      1.58933  1.56074  0.463388  1.38038  0.475066  
1 1 1 13 10 44 o 0.673293 0.313465  -0.417305    1.02566  1.62184      1.45864  -2.41157     1.4425   1.08763  0.437515  0.618153 0.306788  
1 1 1 13 10 45 o 1.22649  0.422389  2.44292      1.25659  2.9427       1.85335  2.01769      1.70952  1.21494  0.49133   1.07841  0.45701   
1 1 1 13 10 46 o 0.975757 0.405711  1.81234      1.30659  1.31955      1.84271  2.31061      1.85293  0.88657  0.415231  0.993479 0.446428  
1 1 1 13 10 47 o 0.814352 0.37851   1.24474      1.48761  -1.70826     2.00431  4.86664      2.21973  0.654028 0.329846  1.10153  0.491954  
1 1 1 13 11 0  o 23.7532  0.223302  564.723      10.6062  564.723      10.6062  564.723      10.6062  23.7585  0.157847  ?        ?         
1 1 1 13 11 1  f 8.98513  0.0638773 80.741       1.14789  81.1052      1.61014  80.3646      1.63692  9.00492  0.0894032 8.96367  0.0913088 
1 1 1 13 11 2  o 21.933   0.159747  481.372      7.00744  482.704      9.93695  480.055      9.88331  21.956   0.226293  21.8957  0.225691  
1 1 1 13 11 3  o 8.02623  0.0679399 64.428       1.0906   64.8893      1.5501   63.9759      1.53471  8.05441  0.0962265 7.99753  0.0959488 
1 1 1 13 11 4  o 17.6037  0.140183  310.052      4.9355   310.122      6.97793  309.982      6.98177  17.6011  0.198224  17.5972  0.198378  
1 1 1 13 11 5  o 6.48575  0.0593968 42.0689      0.770466 41.765       1.1487   42.3174      1.03878  6.4619   0.0888823 6.50462  0.0798495 
1 1 1 13 11 6  o 9.55555  0.0719516 91.3213      1.37507  91.1006      1.92051  91.5535      1.96972  9.54334  0.10062   9.56698  0.102944  
1 1 1 13 11 7  o 12.0226  0.0912376 144.577      2.19384  144.244      3.17585  144.882      3.0341   12.0072  0.132247  12.034   0.126064  
1 1 1 13 11 8  o 12.1652  0.0939287 148.028      2.28532  150.403      3.31784  145.884      3.15237  12.2608  0.135303  12.0754  0.130529  
1 1 1 13 11 9  o 9.21413  0.0749086 84.9127      1.38044  85.9607      1.92483  83.8029      1.98083  9.27018  0.103819  9.15298  0.108207  
1 1 1 13 11 10 o 16.5246  0.121776  273.165      4.02461  272.512      5.74709  273.794      5.6378   16.5016  0.174137  16.5406  0.170423  
1 1 1 13 11 11 o 18.3966  0.131616  338.575      4.84259  343.706      7.02256  333.924      6.68669  18.5312  0.189479  18.2661  0.183035  
1 1 1 13 11 12 o 13.4948  0.0986488 182.151      2.66249  181.738      3.84937  182.53       3.68657  13.4778  0.142804  13.5074  0.136465  
1 1 1 13 11 13 o 6.0495   0.061613  36.5991      0.745457 37.56        1.06537  35.6774      1.04345  6.12817  0.0869236 5.97262  0.0873525 
1 1 1 13 11 14 o 23.3684  0.157013  546.3        7.3383   550.348      10.447   542.357      10.3102  23.4499  0.222751  23.2791  0.221447  
1 1 1 13 11 15 o 19.455   0.140012  378.604      5.44785  377.716      7.594    379.545      7.81979  19.4294  0.195426  19.4761  0.200754  
1 1 1 13 11 16 o 22.9612  0.156643  527.411      7.19346  528.399      10.0854  526.387      10.2632  22.9785  0.219452  22.9344  0.22375   
1 1 1 13 11 17 f 11.6066  0.0918055 134.731      2.1311   137.384      3.06193  132.238      2.96793  11.7195  0.130634  11.498   0.129063  
1 1 1 13 11 18 o 3.4625   0.0993522 11.9911      0.688014 11.647       0.977426 12.329       0.968632 3.41212  0.143228  3.51065  0.137956  
1 1 1 13 11 19 o 7.06521  0.0775778 49.9234      1.09621  50.2583      1.52158  49.5621      1.58065  7.08846  0.107328  7.03911  0.112277  
1 1 1 13 11 20 o 14.7022  0.117491  216.221      3.45476  215.505      4.87426  216.944      4.89736  14.6756  0.166067  14.7245  0.166299  
1 1 1 13 11 21 o 5.06886  0.097889  25.6996      0.992372 26.8705      1.44704  24.6599      1.36353  5.18239  0.139611  4.96468  0.137323  
1 1 1 13 11 22 o 3.14745  0.150434  9.91305      0.946969 10.5486      1.36843  9.32905      1.31179  3.24572  0.210806  3.05226  0.214889  
1 1 1 13 11 23 f 2.20115  0.221691  4.85379      0.97595  4.74252      1.41443  4.9549       1.34835  2.1735   0.325379  2.2222   0.303381  
1 1 1 13 11 24 f 5.54673  0.103374  30.7818      1.14678  30.8833      1.62584  30.6814      1.61777  5.55443  0.146355  5.53625  0.146107  
1 1 1 13 11 25 o 6.05562  0.103228  36.6933      1.25022  35.1249      1.76399  38.2764      1.77218  5.9228   0.148916  6.18309  0.143309  
1 1 1 13 11 26 o 1.74415  0.26719   3.05767      0.932039 3.49925      1.32803  2.62906      1.3084   1.82822  0.37609   1.58222  0.410159  
1 1 1 13 11 27 o 0.906941 0.347711  0.561914     0.886081 -0.507371    1.25336  1.63033      1.25285  0.829676 0.370129  1.28957  0.42198   
1 1 1 13 11 28 o 2.88612  0.158476  8.35383      0.914761 7.36097      1.26986  9.42478      1.31886  2.70447  0.234771  3.06175  0.215377  
1 1 1 13 11 29 o 4.27134  0.12084   18.2822      1.0323   17.331       1.44404  19.2765      1.47628  4.15409  0.17381   4.38162  0.168463  
1 1 1 13 11 30 o 2.67344  0.161595  7.17942      0.864031 6.50866      1.21441  7.86704      1.22958  2.53865  0.239184  2.79312  0.220108  
1 1 1 13 11 31 o 1.03369  0.34389   1.04239      0.832062 1.87294      1.19332  0.256517     1.16078  1.34033  0.408358  0.922966 0.382998  
1 1 1 13 11 32 o 0.913277 0.348172  0.614646     0.884339 1.08902      1.25702  0.149783     1.24436  1.13387  0.419096  0.92747  0.391317  
1 1 1 13 11 33 o 1.41843  0.316799  2.14926      0.87579  1.44149      1.22691  2.88454      1.25053  1.21349  0.417424  1.63157  0.388311  
1 1 1 13 11 34 f 1.81201  0.265472  3.36461      0.962077 3.79792      1.33831  2.9012       1.38401  1.87532  0.369994  1.62276  0.422394  
1 1 1 13 11 35 o 1.74222  0.281053  3.12722      0.979312 3.44257      1.37678  2.80427      1.39328  1.77037  0.398465  1.59115  0.428297  
1 1 1 13 11 36 o 1.09826  0.369736  1.2313       0.961833 2.24686      1.35178  0.189916     1.36886  1.42403  0.434778  0.956347 0.407248  
1 1 1 13 11 37 o 1.2034   0.38274   1.57039      1.03459  1.97064      1.43289  1.13447      1.49539  1.34235  0.451281  1.15737  0.449909  
1 1 1 13 11 38 o 0.970636 0.375525  0.763068     1.03922  0.0547478    1.45173  1.50752      1.48829  0.944398 0.411069  1.22834  0.455619  
1 1 1 13 11 39 f 1.05713  0.383169  1.11641      1.04568  0.616928     1.4456   1.66458      1.51442  1.02798  0.427043  1.25264  0.460422  
1 1 1 13 11 40 o 1.91039  0.276777  3.89462      1.0575   6.14304      1.51662  1.76703      1.4753   2.37487  0.319306  1.25716  0.45518   
1 1 1 13 11 41 o 1.00576  0.419859  0.726368     1.40799  0.726368     1.40799  0            0        1.00523  0.419764  ?        ?         
1 1 1 13 11 42 o 0.619537 0.293083  -0.870649    0.970958 -0.666157    1.37755  -1.07255     1.36878  0.779357 0.363013  0.732654 0.347249  
1 1 1 13 11 43 o 1.07443  0.388282  1.45142      1.07307  2.63536      1.516    0.262605     1.51911  1.34392  0.463837  0.90075  0.404505  
1 1 1 13 11 44 o 0.60655  0.292026  -1.00801     1.04494  -1.03441     1.47251  -0.981238    1.48308  0.723904 0.34807   0.731201 0.351028  
1 1 1 13 11 45 o 0.677191 0.322816  -0.5673      1.19948  -0.68591     1.72077  -0.455197    1.67289  0.770704 0.371961  0.782607 0.375005  
1 1 1 13 11 46 o 0.879234 0.387671  1.30471      1.32739  1.83826      1.8409   0.726876     1.91577  0.930423 0.428024  0.829337 0.398339  
1 1 1 13 11 47 o 0.608416 0.302688  -1.00475     1.44756  -0.742512    1.99066  -1.29904     2.10878  0.67441  0.338415  0.661204 0.333895  
1 1 1 13 12 0  o 4.62415  0.0642479 21.3963      0.593926 21.3963      0.593926 21.3963      0.593926 4.62489  0.0454131 ?        ?         
1 1 1 13 12 1  o 8.92879  0.0670403 79.7327      1.19718  80.3843      1.70603  79.1005      1.6804   8.96466  0.0951528 8.8928   0.0944806 
1 1 1 13 12 2  f 8.42085  0.07077   70.92        1.19189  70.8767      1.6608   70.966       1.71151  8.41775  0.0986486 8.42299  0.101598  
1 1 1 13 12 3  o 3.99244  0.0555728 15.9409      0.443743 16.148       0.62225  15.7266      0.632981 4.01814  0.0774302 3.96534  0.0798142 
1 1 1 13 12 4  o 13.0747  0.10939   171.002      2.86049  171.903      4.06769  170.121      4.02335  13.1069  0.155173  13.0389  0.154283  
1 1 1 13 12 5  o 16.1544  0.125943  261.077      4.06908  263.444      5.80494  258.791      5.70544  16.2239  0.178901  16.0801  0.177407  
1 1 1 13 12 6  f 8.80362  0.0690359 77.514       1.21553  76.9038      1.72961  78.1096      1.70863  8.7683   0.0986286 8.83682  0.0966765 
1 1 1 13 12 7  o 2.48836  0.0672963 6.19274      0.334915 6.45791      0.478508 5.93809      0.468921 2.54093  0.0941601 2.4365   0.0962283 
1 1 1 13 12 8  o 13.0452  0.101449  170.223      2.64683  169.926      3.64392  170.555      3.85102  13.0322  0.139805  13.0558  0.147483  
1 1 1 13 12 9  o 11.425   0.0889393 130.558      2.03227  129.339      2.84695  131.824      2.90196  11.3704  0.125191  11.4791  0.126402  
1 1 1 13 12 10 o 5.17743  0.0613614 26.8082      0.635388 26.0295      0.886464 27.631       0.911196 5.10144  0.0868838 5.25603  0.0866811 
1 1 1 13 12 11 o 5.18923  0.0618532 26.9306      0.641941 27.0295      0.91112  26.833       0.904599 5.19852  0.0876327 5.17958  0.0873235 
1 1 1 13 12 12 o 4.59462  0.0639117 21.1123      0.5873   21.4761      0.827211 20.7426      0.833964 4.63384  0.0892577 4.55399  0.0915641 
1 1 1 13 12 13 o 11.2177  0.0830366 125.852      1.86296  127.07       2.68578  124.722      2.58628  11.2711  0.119144  11.1665  0.115805  
1 1 1 13 12 14 o 13.5737  0.0983131 184.274      2.66895  186.462      3.80898  182.164      3.74088  13.653   0.139492  13.4948  0.138605  
1 1 1 13 12 15 o 27.0429  0.193839  731.723      10.4839  727.333      14.4052  736.666      15.2871  26.9547  0.267212  27.1254  0.281785  
1 1 1 13 12 16 o 16.1174  0.114861  259.821      3.7025   262.811      5.27745  256.923      5.19577  16.2082  0.162802  16.0256  0.162108  
1 1 1 13 12 17 o 29.5155  0.208939  871.782      12.3339  867.783      17.1665  876.048      17.7327  29.4375  0.291576  29.5762  0.299781  
1 1 1 13 12 18 o 13.6203  0.099207  185.549      2.70246  186.285      3.83466  184.822      3.80919  13.646   0.140505  13.5924  0.140123  
1 1 1 13 12 19 o 5.37229  0.0889505 28.8664      0.955737 29.8561      1.34017  27.8421      1.36336  5.4632   0.122654  5.27563  0.129213  
1 1 1 13 12 20 o 5.1882   0.0955012 26.923       0.990959 26.6569      1.38363  27.2033      1.41993  5.16197  0.134022  5.21457  0.13615   
1 1 1 13 12 21 o 13.2583  0.110218  175.838      2.92261  174.856      4.11191  176.839      4.1548   13.2191  0.155529  13.2938  0.156269  
1 1 1 13 12 22 o 4.55797  0.115229  20.7836      1.05042  18.6229      1.47402  23.0131      1.4973   4.31348  0.170862  4.79539  0.156118  
1 1 1 13 12 23 o 10.1878  0.101556  103.834      2.06927  106.418      3.06199  101.661      2.80735  10.3114  0.148476  10.0788  0.139269  
1 1 1 13 12 24 o 3.67755  0.134548  13.5366      0.989616 13.4232      1.39409  13.6518      1.40503  3.66046  0.190425  3.6915   0.190307  
1 1 1 13 12 25 o 5.98324  0.101251  35.8214      1.21161  37.4556      1.74209  34.2904      1.68623  6.11631  0.142414  5.85209  0.144071  
1 1 1 13 12 26 o 2.58723  0.183146  6.71076      0.947683 6.77112      1.36062  6.65388      1.32072  2.59532  0.26213   2.57304  0.256646  
1 1 1 13 12 27 o 0.829672 0.335811  0.294302     0.866806 0.627578     1.22822  -0.0364156   1.22349  1.03081  0.406053  0.895753 0.38334   
1 1 1 13 12 28 o 7.03384  0.0963128 49.5303      1.3549   51.3816      1.9345   47.7477      1.89824  7.16018  0.135087  6.90207  0.137513  
1 1 1 13 12 29 o 5.6504   0.102564  31.9762      1.15906  30.8644      1.63093  33.1107      1.6475   5.54673  0.147017  5.74548  0.143374  
1 1 1 13 12 30 o 5.50395  0.0993124 30.3467      1.09322  29.7875      1.539    30.9163      1.5532   5.44806  0.141243  5.55051  0.139915  
1 1 1 13 12 31 o 3.07152  0.14526   9.4757       0.892337 8.77878      1.26163  10.1734      1.26228  2.94897  0.21391   3.17662  0.198683  
1 1 1 13 12 32 o 2.53194  0.192276  6.47065      0.973664 5.07593      1.34541  8.00437      1.41086  2.22754  0.301994  2.80696  0.251315  
1 1 1 13 12 33 o 0.66772  0.301342  -0.410134    0.85339  -0.185777    1.20225  -0.637979    1.21156  0.849651 0.371922  0.782969 0.35565   
1 1 1 13 12 34 o 1.9296   0.247731  3.80593      0.956042 4.67398      1.36497  2.96999      1.33949  2.12246  0.321553  1.64295  0.4088    
1 1 1 13 12 35 o 0.794179 0.338938  0.0514203    0.951868 -1.16217     1.35334  1.23955      1.33906  0.764392 0.357499  1.17135  0.432635  
1 1 1 13 12 36 o 2.03143  0.23802   4.24306      0.967042 5.46883      1.37708  3.05045      1.35832  2.28792  0.300945  1.64766  0.412695  
1 1 1 13 12 37 o 4.73797  0.131696  22.6721      1.24794  19.8318      1.73521  25.7153      1.79608  4.40427  0.196992  5.02495  0.178716  
1 1 1 13 12 38 o 1.19417  0.385392  1.56101      1.04618  1.13099      1.48475  1.98503      1.47435  1.1447   0.447622  1.33714  0.457765  
1 1 1 13 12 39 o 0.649183 0.306097  -1.01843     1.04698  -1.28344     1.47789  -0.751433    1.48344  0.774535 0.364753  0.835247 0.384235  
1 1 1 13 12 40 o 1.35637  0.37515   2.13844      1.05124  3.93315      1.50306  0.419865     1.47083  1.81717  0.421406  0.987512 0.421381  
1 1 1 13 12 41 o 1.57849  0.336967  2.89699      1.03251  3.70662      1.46084  2.0888       1.45955  1.72334  0.425768  1.29589  0.454359  
1 1 1 13 12 42 o 0.591368 0.28312   -1.02598     0.948279 -1.32252     1.34426  -0.732233    1.3379   0.699132 0.335284  0.757766 0.35471   
1 1 1 13 12 43 f 0.712451 0.325849  -0.259956    1.04981  -0.705169    1.48601  0.18363      1.48329  0.776461 0.365688  0.879172 0.396998  
1 1 1 13 12 44 o 0.747063 0.334935  0.116356     1.03774  0.249934     1.46845  -0.0169061   1.46671  0.85294  0.388528  0.820188 0.37915   
1 1 1 13 12 45 f 0.844222 0.368802  0.715396     1.17725  -1.1342      1.67142  2.53633      1.65842  0.725671 0.353876  1.16086  0.466705  
1 1 1 13 12 46 o 1.00721  0.407219  2.03803      1.27267  4.126        1.78174  -0.136944    1.81848  1.25886  0.490743  0.75174  0.367043  
1 1 1 13 12 47 o 0.766569 0.363121  1.10708      1.49491  0.27964      2.03567  2.0756       2.20239  0.716751 0.356912  0.812928 0.398604  
1 1 1 13 13 0  o 32.5748  0.474196  1064.97      30.8789  1064.97      30.8789  1064.97      30.8789  32.6043  0.334923  ?        ?         
1 1 1 13 13 1  o 4.01707  0.0815976 16.1582      0.654956 16.1582      0.654956 16.1582      0.654956 4.0184   0.0576521 ?        ?         
1 1 1 13 13 2  o 12.6327  0.144865  159.693      3.65898  159.693      3.65898  159.693      3.65898  12.6348  0.102402  ?        ?         
1 1 1 13 13 3  o 20.658   0.239098  427.256      9.8756   427.256      9.8756   427.256      9.8756   20.6641  0.168992  ?        ?         
1 1 1 13 13 4  o 9.64042  0.119154  92.9982      2.29659  92.9982      2.29659  92.9982      2.29659  9.64199  0.0842261 ?        ?         
1 1 1 13 13 5  o 10.2607  0.118657  105.344      2.43427  105.344      2.43427  105.344      2.43427  10.2622  0.0838781 ?        ?         
1 1 1 13 13 6  o 2.57506  0.0814841 6.65144      0.418701 6.65144      0.418701 6.65144      0.418701 2.57705  0.0575074 ?        ?         
1 1 1 13 13 7  o 0.313577 0.216202  -0.264586    0.425164 -0.264586    0.425164 -0.264586    0.425164 0.246883 0.172789  ?        ?         
1 1 1 13 13 8  o 7.97239  0.100533  63.5976      1.6024   63.5976      1.6024   63.5976      1.6024   7.9736   0.0710637 ?        ?         
1 1 1 13 13 9  o 27.2482  0.268304  743.346      14.6184  743.346      14.6184  743.346      14.6184  27.2562  0.189643  ?        ?         
1 1 1 13 13 10 o 6.31902  0.0868278 39.9562      1.09687  39.9562      1.09687  39.9562      1.09687  6.32005  0.0613734 ?        ?         
1 1 1 13 13 11 o 8.18761  0.0973621 67.0728      1.59382  67.0728      1.59382  67.0728      1.59382  8.1887   0.0688253 ?        ?         
1 1 1 13 13 12 o 6.12022  0.0863772 37.4821      1.05682  37.4821      1.05682  37.4821      1.05682  6.12124  0.061054  ?        ?         
1 1 1 13 13 13 o 5.01982  0.0892014 25.2241      0.894911 25.2241      0.894911 25.2241      0.894911 5.02109  0.0630364 ?        ?         
1 1 1 13 13 14 o 0.843246 0.369262  1.02151      0.644397 1.02151      0.644397 1.02151      0.644397 0.898203 0.288446  ?        ?         
1 1 1 13 13 15 o 11.2196  0.127583  125.942      2.86201  125.942      2.86201  125.942      2.86201  11.221   0.0901902 ?        ?         
1 1 1 13 13 16 o 21.1592  0.207838  447.987      8.79349  447.987      8.79349  447.987      8.79349  21.1624  0.146926  ?        ?         
1 1 1 13 13 17 o 3.72089  0.130306  13.8979      0.967009 13.8979      0.967009 13.8979      0.967009 3.72446  0.0919223 ?        ?         
1 1 1 13 13 18 o 5.15826  0.109178  26.6466      1.1252   26.6466      1.1252   26.6466      1.1252   5.16015  0.0771332 ?        ?         
1 1 1 13 13 19 o 3.55222  0.146579  12.6855      1.03733  12.6855      1.03733  12.6855      1.03733  3.55698  0.103305  ?        ?         
1 1 1 13 13 20 o 9.08003  0.127914  82.512       2.32188  82.512       2.32188  82.512       2.32188  9.08182  0.0904105 ?        ?         
1 1 1 13 13 21 o 9.09636  0.131545  82.8154      2.39204  82.8154      2.39204  82.8154      2.39204  9.09833  0.0929745 ?        ?         
1 1 1 13 13 22 o 10.5743  0.146218  111.918      3.09098  111.918      3.09098  111.918      3.09098  10.5767  0.103346  ?        ?         
1 1 1 13 13 23 o 4.86493  0.166804  23.7647      1.61865  23.7647      1.61865  23.7647      1.61865  4.86993  0.117668  ?        ?         
1 1 1 13 13 24 o 3.56634  0.191671  12.8408      1.35811  12.8408      1.35811  12.8408      1.35811  3.57497  0.134747  ?        ?         
1 1 1 13 13 25 o 8.40714  0.134317  70.7745      2.25714  70.7745      2.25714  70.7745      2.25714  8.40994  0.0949172 ?        ?         
1 1 1 13 13 26 f 6.65952  0.135282  44.4366      1.80014  44.4366      1.80014  44.4366      1.80014  6.66279  0.0955668 ?        ?         
1 1 1 13 13 27 o 0.747817 0.453344  0.574274     1.22791  0.574274     1.22791  0.574274     1.22791  0.676951 0.394619  ?        ?         
1 1 1 13 13 28 o 9.01924  0.137489  81.5007      2.4788   81.5007      2.4788   81.5007      2.4788   9.02351  0.0971481 ?        ?         
1 1 1 13 13 29 o 7.02585  0.135858  49.4866      1.90742  49.4866      1.90742  49.4866      1.90742  7.03024  0.0959653 ?        ?         
1 1 1 13 13 30 o 0.819922 0.470621  0.904552     1.20756  0.904552     1.20756  0.904552     1.20756  0.781243 0.413031  ?        ?         
1 1 1 13 13 31 o 3.26441  0.201653  10.8233      1.30504  10.8233      1.30504  10.8233      1.30504  3.27734  0.141384  ?        ?         
1 1 1 13 13 32 o 5.24149  0.166519  27.6565      1.74163  27.6565      1.74163  27.6565      1.74163  5.25028  0.117414  ?        ?         
1 1 1 13 13 33 o 0.824402 0.472033  0.94248      1.21145  0.94248      1.21145  0.94248      1.21145  0.791103 0.414962  ?        ?         
1 1 1 13 13 34 o 1.09724  0.525818  1.85319      1.31851  1.85319      1.31851  1.85319      1.31851  1.16159  0.432837  ?        ?         
1 1 1 13 13 35 o 1.97852  0.38498   4.42325      1.35632  4.42325      1.35632  4.42325      1.35632  2.0506   0.241442  ?        ?         
1 1 1 13 13 36 o 5.82086  0.159157  34.1733      1.84973  34.1733      1.84973  34.1733      1.84973  5.83339  0.112203  ?        ?         
1 1 1 13 13 37 o 5.93493  0.169646  35.6042      2.00995  35.6042      2.00995  35.6042      2.00995  5.95095  0.119522  ?        ?         
1 1 1 13 13 38 o 0.795775 0.487085  0.751195     1.44787  0.751195     1.44787  0.751195     1.44787  0.734436 0.428339  ?        ?         
1 1 1 13 13 39 o 0.706602 0.459316  0.194232     1.50886  0.194232     1.50886  0.194232     1.50886  0.612739 0.39396   ?        ?         
1 1 1 13 13 40 o 1.83847  0.458303  4.1845       1.45643  4.1845       1.45643  4.1845       1.45643  1.95915  0.279171  ?        ?         
1 1 1 13 13 41 f 1.1279   0.549025  2.18927      1.44297  2.18927      1.44297  2.18927      1.44297  1.23684  0.449853  ?        ?         
1 1 1 13 13 42 o 0.74507  0.46628   0.712321     1.39316  0.712321     1.39316  0.712321     1.39316  0.694177 0.413228  ?        ?         
1 1 1 13 13 43 o 0.627645 0.422676  -0.0321175   1.46918  -0.0321175   1.46918  -0.0321175   1.46918  0.541997 0.362221  ?        ?         
1 1 1 13 13 44 o 0.636977 0.429607  0.117989     1.52808  0.117989     1.52808  0.117989     1.52808  0.562423 0.374245  ?        ?         
1 1 1 13 13 45 o 0.992542 0.559824  2.34535      1.67489  2.34535      1.67489  2.34535      1.67489  1.1294   0.500604  ?        ?         
1 1 1 13 13 46 f 0.592789 0.418279  -0.138094    1.83471  -0.138094    1.83471  -0.138094    1.83471  0.528803 0.367575  ?        ?         
1 1 1 14 0  0  o 9.38279  0.128184  88.1006      2.40444  88.1006      2.40444  88.1006      2.40444  9.38448  0.0906045 ?        ?         
1 1 1 14 0  1  o 16.388   0.16097   268.715      5.2748   268.715      5.2748   268.715      5.2748   16.3903  0.113795  ?        ?         
1 1 1 14 0  2  o 2.54125  0.0530664 6.46659      0.269444 6.46659      0.269444 6.46659      0.269444 2.5421   0.0374925 ?        ?         
1 1 1 14 0  3  o 47.8019  0.447135  2290.45      42.7394  2290.45      42.7394  2290.45      42.7394  47.8299  0.315956  ?        ?         
1 1 1 14 0  4  o 3.29676  0.0629995 10.881       0.415046 10.881       0.415046 10.881       0.415046 3.29769  0.0445163 ?        ?         
1 1 1 14 0  5  o 4.7724   0.0639239 22.7891      0.609894 22.7891      0.609894 22.7891      0.609894 4.7731   0.0451853 ?        ?         
1 1 1 14 0  6  o 27.4481  0.268733  754.251      14.7492  754.251      14.7492  754.251      14.7492  27.4558  0.189949  ?        ?         
1 1 1 14 0  7  o 14.7152  0.140905  216.65       4.14606  216.65       4.14606  216.65       4.14606  14.7171  0.099612  ?        ?         
1 1 1 14 0  8  o 6.78196  0.0909521 46.0246      1.23317  46.0246      1.23317  46.0246      1.23317  6.78305  0.0642895 ?        ?         
1 1 1 14 0  9  o 1.64808  0.156314  2.78962      0.504588 2.78962      0.504588 2.78962      0.504588 1.65952  0.108566  ?        ?         
1 1 1 14 0  10 o 5.13885  0.0748657 26.4266      0.769079 26.4266      0.769079 26.4266      0.769079 5.13976  0.0529159 ?        ?         
1 1 1 14 0  11 o 12.7888  0.154214  163.68       3.94315  163.68       3.94315  163.68       3.94315  12.7913  0.109007  ?        ?         
1 1 1 14 0  12 o 3.99369  0.0906883 15.976       0.723518 15.976       0.723518 15.976       0.723518 3.99534  0.0640622 ?        ?         
1 1 1 14 0  13 o 6.24802  0.0925188 39.0676      1.15555  39.0676      1.15555  39.0676      1.15555  6.24922  0.065392  ?        ?         
1 1 1 14 0  14 o 3.3275   0.115624  11.1141      0.767373 11.1141      0.767373 11.1141      0.767373 3.33065  0.0815682 ?        ?         
1 1 1 14 0  15 o 16.3798  0.170938  268.469      5.59846  268.469      5.59846  268.469      5.59846  16.3824  0.120837  ?        ?         
1 1 1 14 0  16 o 39.6897  0.372542  1577.59      29.5663  1577.59      29.5663  1577.59      29.5663  39.7041  0.263305  ?        ?         
1 1 1 14 0  17 o 43.0423  0.403877  1855.36      34.7608  1855.36      34.7608  1855.36      34.7608  43.0579  0.285453  ?        ?         
1 1 1 14 0  18 o 36.2702  0.348497  1317.08      25.2749  1317.08      25.2749  1317.08      25.2749  36.2807  0.246327  ?        ?         
1 1 1 14 0  19 o 26.8606  0.261     722.072      14.0182  722.072      14.0182  722.072      14.0182  26.8659  0.184499  ?        ?         
1 1 1 14 0  20 o 16.2842  0.166519  265.327      5.422    265.327      5.422    265.327      5.422    16.2865  0.117716  ?        ?         
1 1 1 14 0  21 o 5.09222  0.130206  25.9861      1.32412  25.9861      1.32412  25.9861      1.32412  5.09494  0.0919522 ?        ?         
1 1 1 14 0  22 f 9.34516  0.135607  87.4055      2.53333  87.4055      2.53333  87.4055      2.53333  9.34713  0.0958456 ?        ?         
1 1 1 14 0  23 o 6.28749  0.142696  39.6043      1.79231  39.6043      1.79231  39.6043      1.79231  6.29034  0.100797  ?        ?         
1 1 1 14 0  24 o 2.51032  0.294781  6.56674      1.43369  6.56674      1.43369  6.56674      1.43369  2.53776  0.202713  ?        ?         
1 1 1 14 0  25 o 2.0263   0.46009   4.7009       1.62276  4.7009       1.62276  4.7009       1.62276  2.11141  0.283059  ?        ?         
1 1 1 14 0  26 o 23.42    0.251965  549.621      11.799   549.621      11.799   549.621      11.799   23.4321  0.178051  ?        ?         
1 1 1 14 0  27 o 4.58744  0.17989   21.1638      1.6447   21.1638      1.6447   21.1638      1.6447   4.59395  0.126796  ?        ?         
1 1 1 14 0  28 o 1.03728  0.536958  1.60171      1.42077  1.60171      1.42077  1.60171      1.42077  1.05265  0.461065  ?        ?         
1 1 1 14 0  29 o 4.47458  0.171241  20.142       1.52737  20.142       1.52737  20.142       1.52737  4.48131  0.1207    ?        ?         
1 1 1 14 0  30 o 0.584031 0.392611  -0.401991    1.2575   -0.401991    1.2575   -0.401991    1.2575   0.473908 0.322456  ?        ?         
1 1 1 14 0  31 o 0.774652 0.461604  0.699445     1.23133  0.699445     1.23133  0.699445     1.23133  0.713567 0.403209  ?        ?         
1 1 1 14 0  32 f 0.474622 0.337132  -1.36013     1.24699  -1.36013     1.24699  -1.36013     1.24699  0.363249 0.262713  ?        ?         
1 1 1 14 0  33 o 4.67129  0.161421  21.9659      1.50401  21.9659      1.50401  21.9659      1.50401  4.67907  0.113796  ?        ?         
1 1 1 14 0  34 o 1.38557  0.517238  2.64705      1.33008  2.64705      1.33008  2.64705      1.33008  1.50359  0.360898  ?        ?         
1 1 1 14 0  35 o 2.16349  0.381196  5.19232      1.49648  5.19232      1.49648  5.19232      1.49648  2.22866  0.244083  ?        ?         
1 1 1 14 0  36 o 0.772611 0.473085  0.628883     1.36685  0.628883     1.36685  0.628883     1.36685  0.702144 0.413215  ?        ?         
1 1 1 14 0  37 o 0.919887 0.533939  1.20685      1.57864  1.20685      1.57864  1.20685      1.57864  0.884495 0.470961  ?        ?         
1 1 1 14 0  38 o 0.841362 0.493516  0.984127     1.37151  0.984127     1.37151  0.984127     1.37151  0.802181 0.435548  ?        ?         
1 1 1 14 0  39 o 3.04982  0.267976  9.72251      1.60553  9.72251      1.60553  9.72251      1.60553  3.08466  0.185558  ?        ?         
1 1 1 14 0  40 o 1.88886  0.454832  4.33993      1.48863  4.33993      1.48863  4.33993      1.48863  2.00356  0.274064  ?        ?         
1 1 1 14 0  41 o 0.954697 0.528898  1.50186      1.45946  1.50186      1.45946  1.50186      1.45946  0.969026 0.465102  ?        ?         
1 1 1 14 0  42 o 0.633962 0.423696  -0.0937376   1.42168  -0.0937376   1.42168  -0.0937376   1.42168  0.538281 0.358876  ?        ?         
1 1 1 14 0  43 o 0.794637 0.485474  0.936387     1.43254  0.936387     1.43254  0.936387     1.43254  0.759365 0.432775  ?        ?         
1 1 1 14 0  44 o 1.44722  0.584652  3.53261      1.64507  3.53261      1.64507  3.53261      1.64507  1.66837  0.402441  ?        ?         
1 1 1 14 0  45 o 3.0181   0.321313  10.4522      1.88924  10.4522      1.88924  10.4522      1.88924  3.12973  0.215775  ?        ?         
1 1 1 14 0  46 o 0.542451 0.387926  -1.11199     1.73186  -1.11199     1.73186  -1.11199     1.73186  0.448064 0.321716  ?        ?         
1 1 1 14 0  47 o 0.842397 0.585759  3.01225      3.31931  3.01225      3.31931  3.01225      3.31931  0.912806 0.586002  ?        ?         
1 1 1 14 1  0  o 2.08495  0.0626261 4.35896      0.260612 4.35896      0.260612 4.35896      0.260612 2.08639  0.0442073 ?        ?         
1 1 1 14 1  1  o 19.2217  0.130235  369.603      5.00665  369.392      6.9277   369.834      7.24382  19.213   0.180287  19.2239  0.188407  
1 1 1 14 1  2  o 26.3419  0.176084  694.348      9.27678  701.55       13.1088  687.124      13.13    26.4694  0.247621  26.1954  0.250615  
1 1 1 14 1  3  o 43.6698  0.291587  1910.55      25.4671  1900.95      35.4669  1920.77      36.5913  43.521   0.407469  43.743   0.418253  
1 1 1 14 1  4  o 34.8712  0.233486  1217.47      16.2839  1214.38      22.7382  1220.72      23.331   34.8064  0.326638  34.8951  0.334302  
1 1 1 14 1  5  o 32.2538  0.216105  1041.42      13.9404  1047.75      19.6142  1034.96      19.8168  32.3345  0.303301  32.1356  0.308331  
1 1 1 14 1  6  o 6.73417  0.0520885 45.3519      0.701545 45.1245      0.987855 45.5833      0.996471 6.71705  0.0735335 6.7511   0.0738006 
1 1 1 14 1  7  o 15.7907  0.106308  249.415      3.35736  248.874      4.74052  249.959      4.75558  15.7713  0.150289  15.8057  0.150439  
1 1 1 14 1  8  o 13.8627  0.102167  192.224      2.8326   192.649      4.05879  191.821      3.95503  13.876   0.146252  13.8464  0.142819  
1 1 1 14 1  9  o 7.54207  0.0689898 56.89        1.04065  56.7448      1.46776  57.0367      1.47568  7.53198  0.0974355 7.55132  0.09771   
1 1 1 14 1  10 o 8.05853  0.0621634 64.9467      1.00189  64.4203      1.40579  65.49        1.42825  8.02539  0.087584  8.09174  0.0882539 
1 1 1 14 1  11 o 9.31113  0.0847118 86.7145      1.57753  86.5615      2.22899  86.8681      2.23293  9.30198  0.119813  9.31844  0.119812  
1 1 1 14 1  12 o 6.11431  0.0599836 37.3883      0.733516 36.9301      1.04986  37.8253      1.02528  6.07641  0.086388  6.14965  0.0833605 
1 1 1 14 1  13 o 2.48916  0.0947331 6.1973       0.471611 7.43721      0.672079 4.99446      0.661954 2.7266   0.123245  2.23421  0.148141  
1 1 1 14 1  14 o 6.1693   0.0648834 38.0641      0.80057  38.4282      1.12391  37.6891      1.14063  6.19843  0.0906609 6.1385   0.0929077 
1 1 1 14 1  15 o 4.65028  0.0727743 21.6275      0.676841 21.7193      0.969024 21.54        0.945796 4.65986  0.103976  4.64061  0.101904  
1 1 1 14 1  16 o 15.5322  0.11614   241.303      3.60781  242.405      5.24387  240.312      4.97146  15.5656  0.168445  15.4986  0.160384  
1 1 1 14 1  17 f 4.76766  0.0766743 22.7325      0.731113 22.8649      1.05363  22.6096      1.01533  4.78129  0.110183  4.75455  0.106775  
1 1 1 14 1  18 o 10.2615  0.0872366 105.311      1.79036  102.744      2.43537  108.329      2.64102  10.1352  0.120145  10.4069  0.126888  
1 1 1 14 1  19 o 12.6835  0.0955871 160.893      2.42475  159.606      3.37326  162.27       3.48785  12.6317  0.133523  12.7366  0.136922  
1 1 1 14 1  20 f 9.00288  0.0813709 81.062       1.46515  82.852       2.09618  79.3523      2.04869  9.10116  0.11516   8.90687  0.115006  
1 1 1 14 1  21 o 11.0039  0.0913043 121.106      2.0094   121.698      2.91884  120.573      2.77041  11.0296  0.132318  10.9787  0.126171  
1 1 1 14 1  22 o 9.99357  0.102935  99.896       2.05738  97.1656      2.9927   102.343      2.83302  9.85462  0.151843  10.1141  0.140052  
1 1 1 14 1  23 o 4.78427  0.115444  22.8975      1.10463  21.3483      1.56875  24.421       1.5557   4.6186   0.16983   4.94008  0.157457  
1 1 1 14 1  24 o 8.53715  0.100074  72.9064      1.7087   73.2095      2.40961  72.5998      2.42337  8.55352  0.140855  8.51777  0.142254  
1 1 1 14 1  25 o 11.3559  0.109423  129.024      2.48519  126.577      3.52138  131.453      3.50783  11.2445  0.156582  11.4593  0.153056  
1 1 1 14 1  26 o 5.48752  0.12133   30.137       1.3316   31.5507      1.94859  28.8984      1.82394  5.61242  0.173596  5.37153  0.169778  
1 1 1 14 1  27 o 3.5342   0.152518  12.5101      1.07806  12.0244      1.5693   12.9441      1.48353  3.46157  0.226674  3.59259  0.206471  
1 1 1 14 1  28 o 6.62297  0.106095  43.9074      1.40533  44.6824      1.97056  43.1052      2.00476  6.67805  0.14754   6.55867  0.152833  
1 1 1 14 1  29 o 2.99385  0.162747  8.98968      0.974479 8.67247      1.36522  9.31916      1.39139  2.93603  0.232494  3.04384  0.228559  
1 1 1 14 1  30 o 4.014    0.12496   16.1472      1.00318  16.8412      1.4221   15.4597      1.41534  4.09522  0.17363   3.92301  0.18039   
1 1 1 14 1  31 o 1.83723  0.241716  3.40845      0.888177 1.04506      1.24696  5.84219      1.26538  1.12793  0.417312  2.40304  0.263288  
1 1 1 14 1  32 o 2.68117  0.170702  7.23093      0.91536  6.97506      1.29497  7.48645      1.29406  2.62503  0.246658  2.72072  0.237816  
1 1 1 14 1  33 o 2.03461  0.227589  4.19107      0.926107 3.48849      1.31379  4.88499      1.30567  1.80583  0.376157  2.18695  0.298513  
1 1 1 14 1  34 o 7.83919  0.100808  61.6361      1.5805   61.7352      2.22409  61.5351      2.24639  7.83419  0.141948  7.82094  0.143614  
1 1 1 14 1  35 o 2.36149  0.221366  5.67278      1.04551  6.79705      1.48048  4.5543       1.47666  2.56961  0.288075  2.0561   0.372814  
1 1 1 14 1  36 o 2.53317  0.198184  6.51434      1.00407  5.27605      1.44198  7.67982      1.39894  2.25274  0.32005   2.73687  0.255574  
1 1 1 14 1  37 o 3.02662  0.195449  9.33148      1.1831   10.3303      1.69715  8.38719      1.65016  3.15924  0.268601  2.83844  0.290681  
1 1 1 14 1  38 o 2.17785  0.235053  4.89285      1.02382  5.00017      1.50471  4.80034      1.39708  2.16224  0.347953  2.12609  0.328556  
1 1 1 14 1  39 o 1.71659  0.33691   3.2512       1.11544  3.30844      1.61749  3.19929      1.54028  1.6733   0.466211  1.65102  0.452985  
1 1 1 14 1  40 o 1.06534  0.382719  1.15021      1.04118  1.33083      1.48091  0.973649     1.46415  1.17402  0.449687  1.09858  0.439822  
1 1 1 14 1  41 o 1.11121  0.379327  1.35431      1.01238  1.92015      1.45154  0.818352     1.41269  1.29006  0.453035  1.04578  0.426728  
1 1 1 14 1  42 o 1.31408  0.371662  2.07484      1.02043  1.46106      1.45659  2.66643      1.43     1.15208  0.44482   1.44366  0.448491  
1 1 1 14 1  43 o 1.00039  0.370854  1.10421      0.985746 1.35393      1.41039  0.865742     1.37828  1.10107  0.434682  1.00173  0.416613  
1 1 1 14 1  44 o 0.967067 0.384814  1.04006      1.11344  1.86864      1.52986  0.106827     1.6236   1.1626   0.454423  0.894715 0.40782   
1 1 1 14 1  45 o 0.798345 0.361666  0.186577     1.24088  -0.414584    1.80339  0.727133     1.71007  0.832186 0.396389  0.93703  0.424527  
1 1 1 14 1  46 o 0.996991 0.40832   1.54094      1.29822  1.28131      1.85938  1.78789      1.8134   0.963006 0.438271  1.02488  0.452343  
1 1 1 14 1  47 o 0.666674 0.334383  -1.92537     1.94121  -2.21555     3.23372  -1.76189     2.42719  0.766068 0.390586  0.725312 0.365529  
1 1 1 14 2  0  o 1.69231  0.0716234 2.87944      0.241431 2.87944      0.241431 2.87944      0.241431 1.69462  0.0504718 ?        ?         
1 1 1 14 2  1  o 19.4197  0.128867  377.26       5.00513  373.677      7.0189   380.967      7.1393   19.3238  0.181612  19.5113  0.182953  
1 1 1 14 2  2  o 23.2638  0.155644  541.486      7.24175  543.153      10.1647  539.768      10.3199  23.2935  0.218187  23.2204  0.222216  
1 1 1 14 2  3  o 7.94229  0.0595455 63.0849      0.945855 63.0956      1.29542  63.0727      1.38429  7.94268  0.0815478 7.94116  0.0871589 
1 1 1 14 2  4  o 18.0159  0.122762  324.685      4.42334  324.941      6.13139  324.406      6.38756  18.0202  0.170126  18.0048  0.177385  
1 1 1 14 2  5  o 23.1218  0.15369   534.912      7.10718  539.744      10.1401  530.246      9.9644   23.2194  0.218353  23.0144  0.216482  
1 1 1 14 2  6  o 13.403   0.0919208 179.677      2.46403  180.754      3.54095  178.666      3.43098  13.4417  0.131715  13.3639  0.128367  
1 1 1 14 2  7  o 11.742   0.0809725 137.896      1.90155  140.4        2.73118  135.541      2.64911  11.8471  0.115268  11.6403  0.11379   
1 1 1 14 2  8  o 6.68667  0.0575197 44.7153      0.76923  43.8123      1.06985  45.6818      1.1068   6.61853  0.0808224 6.75825  0.0818852 
1 1 1 14 2  9  o 8.78043  0.0847927 77.1106      1.48903  80.4595      2.18556  74.2094      2.03419  8.96816  0.121851  8.61289  0.11809   
1 1 1 14 2  10 o 5.00072  0.0640509 25.01        0.640602 21.9057      0.882249 28.4718      0.931665 4.67979  0.0942616 5.33534  0.0873107 
1 1 1 14 2  11 o 5.28676  0.0667048 27.9533      0.705304 27.9473      1.00123  27.9593      0.993716 5.28586  0.0947082 5.287    0.0939774 
1 1 1 14 2  12 o 11.0212  0.0821865 121.489      1.81159  122.509      2.60492  120.534      2.5211   11.0664  0.117695  10.9769  0.114837  
1 1 1 14 2  13 f 2.4809   0.0937868 6.15619      0.465351 6.50499      0.661184 5.81382      0.655069 2.54995  0.129646  2.41063  0.135871  
1 1 1 14 2  14 o 4.20044  0.074649  17.646       0.627117 18.2293      0.877277 17.0364      0.896799 4.26904  0.102749  4.12694  0.108652  
1 1 1 14 2  15 o 4.16991  0.0748425 17.3901      0.624173 17.5542      0.88333  17.2265      0.8821   4.1893   0.105427  4.15     0.106277  
1 1 1 14 2  16 o 18.3405  0.128046  336.466      4.69685  334.865      6.61115  338.098      6.674    18.2943  0.180689  18.3824  0.181533  
1 1 1 14 2  17 o 25.4547  0.171037  648.219      8.70739  655.566      12.4427  641.169      12.1894  25.5927  0.24309   25.3104  0.2408    
1 1 1 14 2  18 o 24.5822  0.167375  604.536      8.22888  603.14       11.4944  606.003      11.7858  24.5487  0.234115  24.6064  0.239487  
1 1 1 14 2  19 o 5.61525  0.0770213 31.534       0.864987 32.115       1.20765  30.9219      1.23953  5.66648  0.106561  5.56018  0.111464  
1 1 1 14 2  20 o 9.62829  0.0819419 92.716       1.57792  94.109       2.26064  91.3925      2.20349  9.6997   0.116531  9.55871  0.115261  
1 1 1 14 2  21 o 8.83781  0.0851181 78.1189      1.50452  79.8539      2.21943  76.6438      2.04649  8.93463  0.124204  8.75337  0.116897  
1 1 1 14 2  22 f 14.4146  0.123902  207.856      3.57201  214.667      5.34348  202.353      4.80283  14.6457  0.182424  14.2203  0.168873  
1 1 1 14 2  23 o 13.6579  0.115112  186.607      3.14438  191.924      4.66621  182.185      4.25572  13.8482  0.168477  13.4929  0.157702  
1 1 1 14 2  24 o 5.47765  0.116639  30.0182      1.27781  29.5176      1.80003  30.5268      1.81425  5.43052  0.165733  5.52263  0.164256  
1 1 1 14 2  25 o 12.9687  0.11594   168.288      3.00718  171.99       4.26711  164.636      4.23862  13.1066  0.162784  12.8231  0.165272  
1 1 1 14 2  26 o 5.87097  0.112348  34.4925      1.31918  33.3015      1.87484  35.6604      1.85651  5.76652  0.162563  5.96764  0.155548  
1 1 1 14 2  27 o 6.81089  0.0979409 46.4188      1.33413  43.8448      1.88155  49.0214      1.89198  6.61689  0.142178  6.99708  0.135198  
1 1 1 14 2  28 o 4.82967  0.119743  23.3562      1.15664  23.0545      1.61515  23.6738      1.65713  4.79531  0.168409  4.85913  0.170518  
1 1 1 14 2  29 o 4.81693  0.111047  23.2352      1.06981  23.0254      1.52126  23.4405      1.50475  4.79162  0.158742  4.83488  0.155614  
1 1 1 14 2  30 o 7.57666  0.097496  57.4825      1.47739  59.1268      2.09662  55.8609      2.08214  7.67929  0.136511  7.46376  0.139483  
1 1 1 14 2  31 o 1.66447  0.264608  2.80359      0.880865 4.00616      1.2637   1.66707      1.22851  1.98431  0.318423  1.28826  0.417813  
1 1 1 14 2  32 o 6.13242  0.0998085 37.6829      1.22413  37.4072      1.7659   37.938       1.69844  6.1032   0.14467   6.1475   0.138141  
1 1 1 14 2  33 o 3.69929  0.141878  13.7521      1.04969  13.6322      1.50488  13.8657      1.4649   3.67341  0.204835  3.70604  0.197637  
1 1 1 14 2  34 o 3.7784   0.141173  14.3608      1.06681  13.0015      1.48741  15.8008      1.53093  3.58305  0.207562  3.95321  0.193632  
1 1 1 14 2  35 o 2.31362  0.227408  5.45193      1.05227  4.72963      1.54513  6.0767       1.43702  2.09152  0.3837    2.42712  0.296034  
1 1 1 14 2  36 f 1.17231  0.371465  1.44321      0.975205 0.577481     1.41891  2.21827      1.34255  1.04814  0.427674  1.4261   0.432872  
1 1 1 14 2  37 o 1.22382  0.38648   1.61326      1.0563   1.87619      1.49739  1.35282      1.49029  1.3344   0.460939  1.21279  0.454712  
1 1 1 14 2  38 o 1.12138  0.383244  1.30108      1.0334   -0.357228    1.43637  3.08047      1.48789  0.883857 0.395212  1.63495  0.44373   
1 1 1 14 2  39 f 2.66445  0.213077  7.3115       1.13547  8.02548      1.62272  6.62654      1.58939  2.75506  0.294497  2.49181  0.318923  
1 1 1 14 2  40 o 1.04811  0.379182  1.09838      1.02361  -0.0867747   1.46707  2.22265      1.42889  0.918198 0.405853  1.38168  0.450652  
1 1 1 14 2  41 o 0.867161 0.358762  0.412496     1.01376  1.84946      1.45301  -0.95045     1.41509  1.27327  0.452643  0.782852 0.365911  
1 1 1 14 2  42 o 0.85817  0.358284  0.433884     1.02546  1.76875      1.47921  -0.801228    1.42286  1.21993  0.453882  0.785375 0.367022  
1 1 1 14 2  43 o 0.640554 0.300528  -0.708148    0.980671 -0.653643    1.38273  -0.763311    1.39106  0.777366 0.362708  0.767168 0.35957   
1 1 1 14 2  44 o 1.13155  0.390072  1.6855       1.07189  2.54171      1.51962  0.837691     1.51216  1.30921  0.463156  0.976032 0.422101  
1 1 1 14 2  45 o 0.996103 0.404032  1.33727      1.2585   1.45754      1.79238  1.22032      1.76745  1.03264  0.453056  0.999653 0.443199  
1 1 1 14 2  46 o 0.864406 0.382146  0.801505     1.30149  -0.278115    1.86421  1.8281       1.81785  0.813392 0.39123   1.0259   0.452832  
1 1 1 14 2  47 o 0.638727 0.321142  -2.13478     1.80198  -3.773       2.66604  -0.756906    2.44504  ?        ?         0.768439 0.383836  
1 1 1 14 3  0  o 15.3862  0.145426  236.854      4.47421  236.854      4.47421  236.854      4.47421  15.3881  0.102809  ?        ?         
1 1 1 14 3  1  o 12.0885  0.0822955 146.154      1.98966  144.881      2.76309  147.526      2.86742  12.0349  0.114795  12.1441  0.118058  
1 1 1 14 3  2  o 32.3705  0.21625   1048.94      14.0003  1049.27      19.5941  1048.59      20.0112  32.3592  0.302759  32.3473  0.309317  
1 1 1 14 3  3  o 53.3423  0.352685  2853.37      37.626   2825.25      52.7171  2882.57      53.7196  53.0041  0.497293  53.5364  0.501711  
1 1 1 14 3  4  o 36.0826  0.241378  1303.7       17.4191  1313.06      24.5512  1294.22      24.7183  36.1878  0.33922   35.9258  0.344018  
1 1 1 14 3  5  f 23.6613  0.162391  560.207      7.68475  559.53       10.7418  560.916      10.9985  23.6398  0.227197  23.6684  0.232346  
1 1 1 14 3  6  o 4.73699  0.0465554 22.4402      0.441064 23.2671      0.631699 21.6536      0.616111 4.82334  0.0654835 4.6531   0.0662044 
1 1 1 14 3  7  o 14.8678  0.105101  221.112      3.12525  223.371      4.45968  218.933      4.38091  14.9414  0.149239  14.7923  0.148081  
1 1 1 14 3  8  o 15.6598  0.117268  245.316      3.67279  245.829      5.26807  244.831      5.12317  15.6732  0.16806   15.6416  0.163768  
1 1 1 14 3  9  o 4.05656  0.0557283 16.457       0.452131 15.9061      0.632335 17.0334      0.646726 3.9879   0.0792816 4.12681  0.0783566 
1 1 1 14 3  10 o 8.46121  0.0696304 71.6016      1.17831  71.7975      1.68667  71.4147      1.64682  8.47219  0.0995414 8.44962  0.0974495 
1 1 1 14 3  11 o 5.40212  0.0662611 29.1865      0.715901 28.0618      0.990151 30.4184      1.0363   5.2967   0.0934687 5.51461  0.0939595 
1 1 1 14 3  12 o 6.60323  0.063526  43.6073      0.838954 43.5347      1.21765  43.6729      1.15755  6.59735  0.0922836 6.60788  0.0875884 
1 1 1 14 3  13 o 6.93068  0.0659313 48.0395      0.913898 48.5001      1.29591  47.5838      1.28901  6.96345  0.0930508 6.89735  0.0934426 
1 1 1 14 3  14 o 5.89274  0.0671545 34.728       0.791447 34.8196      1.13147  34.6402      1.10747  5.90017  0.0958842 5.88497  0.0940929 
1 1 1 14 3  15 o 15.3075  0.110092  234.375      3.37046  236.094      4.84713  232.766      4.68986  15.3616  0.157768  15.2531  0.153734  
1 1 1 14 3  16 o 13.9597  0.102592  194.907      2.8643   193.132      3.97522  196.823      4.13072  13.8949  0.143046  14.0269  0.147243  
1 1 1 14 3  17 o 23.4219  0.1582    548.789      7.41071  548.869      10.4746  548.708      10.486   23.4192  0.223633  23.4157  0.22391   
1 1 1 14 3  18 o 13.7719  0.100565  189.694      2.76994  190.062      3.88034  189.313      3.95532  13.7842  0.140753  13.7569  0.143757  
1 1 1 14 3  19 o 26.115   0.177458  682.348      9.26861  681.452      12.9579  683.285      13.263   26.0911  0.24832   26.1256  0.253832  
1 1 1 14 3  20 o 7.85726  0.0809325 61.7447      1.27182  63.0615      1.80571  60.4483      1.79162  7.9401   0.113708  7.77382  0.115234  
1 1 1 14 3  21 o 5.00277  0.091838  25.0322      0.918889 25.5789      1.32421  24.5245      1.27614  5.05663  0.130938  4.95134  0.128868  
1 1 1 14 3  22 o 17.3224  0.142433  300.211      4.93455  296.049      6.91264  304.536      7.04631  17.1976  0.200976  17.4424  0.201989  
1 1 1 14 3  23 o 9.68546  0.0967651 93.8329      1.87443  95.2047      2.75709  92.654       2.556    9.75452  0.141324  9.62328  0.132803  
1 1 1 14 3  24 o 16.9479  0.144029  287.436      4.88196  289.234      7.04819  285.777      6.76856  16.9943  0.207369  16.8933  0.200333  
1 1 1 14 3  25 o 6.92818  0.104695  48.0237      1.45069  50.1869      2.0894   46.0104      2.01575  7.08071  0.147542  6.77963  0.148662  
1 1 1 14 3  26 o 6.14006  0.108134  37.7254      1.3279   38.2565      1.94046  37.2577      1.82108  6.18086  0.156973  6.10005  0.149268  
1 1 1 14 3  27 o 6.80808  0.0995869 46.3824      1.35599  49.1472      1.98307  43.9544      1.85833  7.0055   0.141536  6.62516  0.140248  
1 1 1 14 3  28 o 7.90832  0.0984026 62.5989      1.5564   63.4161      2.16942  61.7322      2.23417  7.95645  0.136331  7.84949  0.142313  
1 1 1 14 3  29 o 2.38415  0.194994  5.70912      0.929789 5.51608      1.33542  5.89074      1.29534  2.3376   0.285638  2.41704  0.267959  
1 1 1 14 3  30 o 4.44085  0.11935   19.7613      1.06003  20.7553      1.49224  18.7488      1.50606  4.54701  0.16409   4.32057  0.17429   
1 1 1 14 3  31 o 1.07306  0.352213  1.13295      0.872827 1.23709      1.24198  1.03133      1.22688  1.17421  0.418379  1.11919  0.413966  
1 1 1 14 3  32 o 2.95077  0.159925  8.75296      0.943801 10.7094      1.35261  6.89655      1.31756  3.25817  0.207571  2.60914  0.252489  
1 1 1 14 3  33 o 3.56792  0.147018  12.7988      1.0491   13.3567      1.498    12.2618      1.4697   3.63551  0.206023  3.48243  0.211017  
1 1 1 14 3  34 o 1.35589  0.353417  1.97749      0.968047 1.59049      1.38426  2.34791      1.35428  1.27485  0.442913  1.47478  0.431788  
1 1 1 14 3  35 o 2.41795  0.216976  5.94591      1.04927  5.6303       1.53864  6.22028      1.43461  2.3271   0.330591  2.45631  0.292025  
1 1 1 14 3  36 o 2.22439  0.225023  5.04701      1.00107  4.96922      1.44964  5.11792      1.3841   2.18201  0.332178  2.21997  0.311739  
1 1 1 14 3  37 f 1.29856  0.374139  1.85332      1.02479  2.41034      1.40023  1.21079      1.50387  1.46693  0.441434  1.18335  0.453189  
1 1 1 14 3  38 o 1.98358  0.25805   4.08643      1.02372  3.49906      1.42221  4.71799      1.47475  1.75512  0.411811  2.06627  0.370272  
1 1 1 14 3  39 o 1.13233  0.390877  1.34644      1.07663  1.71654      1.52098  0.974778     1.52419  1.2762   0.462163  1.12018  0.448633  
1 1 1 14 3  40 f 1.05724  0.383388  1.11874      1.04698  1.50106      1.51256  0.767057     1.45069  1.215    0.457592  1.05551  0.431851  
1 1 1 14 3  41 o 2.43754  0.222215  6.20352      1.08331  6.87797      1.56134  5.57743      1.50433  2.51641  0.310231  2.25186  0.33402   
1 1 1 14 3  42 o 0.790132 0.344955  0.0891213    1.02859  0.285668     1.44794  -0.111108    1.46144  0.934529 0.408625  0.880039 0.395905  
1 1 1 14 3  43 o 1.31362  0.36779   2.13938      1.00423  1.92843      1.44998  2.33385      1.39218  1.22288  0.45042   1.32369  0.444825  
1 1 1 14 3  44 o 1.14986  0.391584  1.75528      1.07886  0.892961     1.50416  2.66894      1.54828  0.9825   0.42289   1.33323  0.467917  
1 1 1 14 3  45 o 1.0219   0.407041  1.47875      1.24692  1.69109      1.83117  1.29517      1.70265  1.05911  0.461344  1.00158  0.440484  
1 1 1 14 3  46 o 0.804973 0.365575  0.464426     1.27876  0.851353     1.82737  0.0931214    1.79009  0.901834 0.419304  0.827296 0.394369  
1 1 1 14 3  47 o 0.674888 0.335864  -1.41039     1.78929  -0.835792    2.60823  -1.9212      2.45921  0.778218 0.389155  0.72621  0.366242  
1 1 1 14 4  0  o 5.42866  0.0659999 29.4848      0.716344 29.4848      0.716344 29.4848      0.716344 5.42933  0.0466555 ?        ?         
1 1 1 14 4  1  o 8.48657  0.0605001 72.0278      1.02688  70.9491      1.43289  73.1668      1.47236  8.42244  0.0850641 8.55304  0.086072  
1 1 1 14 4  2  o 14.4274  0.098866  208.195      2.85276  206.371      4.00285  210.079      4.06673  14.3624  0.139351  14.4908  0.140321  
1 1 1 14 4  3  f 15.0004  0.102759  225.066      3.08285  228.036      4.4116   222.231      4.3098   15.0971  0.146107  14.9038  0.144587  
1 1 1 14 4  4  o 6.97285  0.0536374 48.6239      0.748011 49.3156      1.0827   47.9923      1.03463  7.02201  0.0770936 6.92719  0.0746788 
1 1 1 14 4  5  o 2.72208  0.0491384 7.41016      0.267518 7.32789      0.381689 7.4896       0.375053 2.70684  0.0705044 2.73656  0.0685264 
1 1 1 14 4  6  o 11.2242  0.0791433 126.002      1.77664  125.128      2.44647  126.977      2.58428  11.1844  0.10937   11.2666  0.114688  
1 1 1 14 4  7  o 8.14408  0.065759  66.3333      1.07109  66.633       1.48523  66.0086      1.54611  8.16204  0.0909842 8.12362  0.0951613 
1 1 1 14 4  8  o 5.43891  0.0550987 29.5842      0.599354 29.1673      0.831066 30.036       0.865193 5.40025  0.0769469 5.48006  0.0789401 
1 1 1 14 4  9  o 7.87476  0.0657274 62.0192      1.03518  61.0294      1.46234  63.0133      1.46558  7.8112   0.0936055 7.93718  0.0923237 
1 1 1 14 4  10 o 2.79978  0.0731069 7.8399       0.409366 8.52733      0.573879 7.12773      0.584117 2.91977  0.0982748 2.66934  0.109412  
1 1 1 14 4  11 o 17.7277  0.138427  314.436      4.908    311.215      6.87176  317.789      7.0123   17.6322  0.194864  17.8173  0.196784  
1 1 1 14 4  12 o 18.3487  0.126864  336.814      4.65558  336.241      6.43449  337.443      6.74442  18.3296  0.175522  18.3616  0.183655  
1 1 1 14 4  13 f 5.45426  0.0634993 29.7518      0.692683 29.1065      0.97607  30.4066      0.983173 5.39451  0.0904689 5.51368  0.0891576 
1 1 1 14 4  14 f 15.6151  0.117038  243.907      3.65511  242.253      5.20452  245.517      5.13439  15.5594  0.167247  15.664   0.163891  
1 1 1 14 4  15 o 7.4707   0.0687922 55.8162      1.02785  55.0155      1.43526  56.6592      1.47267  7.41659  0.0967601 7.52655  0.0978313 
1 1 1 14 4  16 o 18.1326  0.130021  328.879      4.71523  330.715      6.69898  327.076      6.63813  18.1807  0.184233  18.0804  0.183572  
1 1 1 14 4  17 o 12.2384  0.0969825 149.798      2.37381  146.1        3.21042  154.259      3.52588  12.0856  0.13282   12.4182  0.141964  
1 1 1 14 4  18 o 32.956   0.22234   1086.9       14.6549  1098.94      20.7156  1074.84      20.7346  33.1255  0.312684  32.7596  0.316467  
1 1 1 14 4  19 o 11.298   0.0883515 127.661      1.99638  127.522      2.79887  127.804      2.8484   11.2911  0.123942  11.3035  0.125996  
1 1 1 14 4  20 o 16.4629  0.116427  271.103      3.83346  272.357      5.44383  269.869      5.3991   16.4987  0.164978  16.4232  0.164374  
1 1 1 14 4  21 o 5.51988  0.0892092 30.4744      0.984848 30.3858      1.41793  30.5569      1.36893  5.51134  0.128638  5.52691  0.123843  
1 1 1 14 4  22 o 2.32304  0.20271   5.40195      0.941805 5.26012      1.33974  5.54051      1.32422  2.29107  0.292384  2.35152  0.281566  
1 1 1 14 4  23 o 8.40507  0.0962702 70.6641      1.61832  68.3511      2.26866  73.0604      2.30917  8.26521  0.137241  8.54527  0.135114  
1 1 1 14 4  24 f 10.0019  0.0990634 100.072      1.98164  100.692      2.85265  99.495       2.75483  10.0309  0.142194  9.9713   0.138138  
1 1 1 14 4  25 o 8.51781  0.102283  72.5888      1.74245  72.793       2.46378  72.3845      2.46461  8.52766  0.144458  8.50367  0.144914  
1 1 1 14 4  26 o 3.49003  0.154204  12.1972      1.07635  12.4231      1.6134   12.016       1.44488  3.51925  0.229225  3.46201  0.208677  
1 1 1 14 4  27 o 5.67155  0.108851  32.1942      1.23471  31.3493      1.7742   32.9877      1.71938  5.59387  0.158584  5.73877  0.149804  
1 1 1 14 4  28 o 6.81942  0.100071  46.5504      1.36485  47.2099      1.89584  45.8409      1.96647  6.86453  0.13809   6.76359  0.145372  
1 1 1 14 4  29 o 2.63779  0.178684  6.98424      0.942664 6.45399      1.35189  7.48605      1.31513  2.52976  0.267197  2.72666  0.241161  
1 1 1 14 4  30 o 2.19173  0.207701  4.83382      0.91045  4.74472      1.29241  4.92159      1.28278  2.16416  0.298595  2.20485  0.2909    
1 1 1 14 4  31 o 4.52238  0.113664  20.4989      1.02806  21.9577      1.49316  19.1842      1.41758  4.67525  0.159688  4.3697   0.162205  
1 1 1 14 4  32 o 1.55803  0.294272  2.54863      0.883507 3.02603      1.25061  2.07298      1.24832  1.68254  0.380515  1.40292  0.415721  
1 1 1 14 4  33 o 1.35051  0.35089   1.95085      0.956198 1.81189      1.38723  2.07663      1.31982  1.33743  0.444034  1.40228  0.429907  
1 1 1 14 4  34 o 3.4099   0.152522  11.71        1.04017  11.7726      1.45518  11.6445      1.48739  3.40747  0.213527  3.38756  0.219537  
1 1 1 14 4  35 o 2.49889  0.21009   6.34376      1.04998  7.31034      1.55019  5.52445      1.42722  2.66317  0.291041  2.31079  0.308817  
1 1 1 14 4  36 o 0.707414 0.319669  -0.445442    0.963437 2.43515      1.44444  -2.75401     1.2931   1.48768  0.448485  0.599623 0.29593   
1 1 1 14 4  37 o 1.56688  0.331818  2.67797      1.00802  1.92262      1.39838  3.49505      1.45439  1.33625  0.445814  1.76192  0.418405  
1 1 1 14 4  38 o 2.09279  0.256169  4.54771      1.07222  5.41401      1.56848  3.78772      1.46909  2.24812  0.348843  1.82689  0.4119    
1 1 1 14 4  39 o 2.02741  0.270021  4.31407      1.09489  4.99605      1.54013  3.61724      1.55681  2.11052  0.378603  1.75607  0.443013  
1 1 1 14 4  40 o 4.32379  0.142831  18.9874      1.23514  17.0742      1.77683  20.7763      1.71815  4.05816  0.21892   4.49556  0.191094  
1 1 1 14 4  41 f 2.8763   0.195924  8.56472      1.12708  9.62009      1.6093   7.54874      1.57899  3.00418  0.267843  2.64121  0.298914  
1 1 1 14 4  42 o 1.58021  0.34261   2.9331       1.05233  1.66358      1.51414  4.11926      1.46358  1.19464  0.45554   1.82656  0.410642  
1 1 1 14 4  43 o 1.1494   0.383615  1.63886      1.0354   4.17494      1.47587  -0.819064    1.45295  1.80001  0.417676  0.775031 0.364016  
1 1 1 14 4  44 o 1.74948  0.331417  3.75082      1.11751  5.64986      1.57863  1.84326      1.58217  2.08342  0.393223  1.15346  0.458801  
1 1 1 14 4  45 o 0.853201 0.371988  0.645158     1.19277  2.50123      1.74335  -0.988329    1.63548  1.18437  0.477532  0.745613 0.360398  
1 1 1 14 4  46 f 0.596308 0.294143  -1.56107     1.27336  0.402849     1.91227  -3.12564     1.70681  0.85542  0.407735  0.607307 0.306155  
1 1 1 14 4  47 o 0.85446  0.401808  1.11846      1.7808   0.394692     2.27928  2.25254      2.85312  0.820537 0.403349  0.926217 0.454003  
1 1 1 14 5  0  f 8.07409  0.0805108 65.2153      1.29981  65.2153      1.29981  65.2153      1.29981  8.07484  0.0569181 ?        ?         
1 1 1 14 5  1  o 2.05389  0.0466124 4.21867      0.191473 3.93763      0.267204 4.51528      0.274513 1.98424  0.0673314 2.12482  0.0645969 
1 1 1 14 5  2  o 10.0321  0.0719519 100.654      1.44365  100.222      2.07973  101.056      2.00555  10.0098  0.103885  10.0515  0.0997638 
1 1 1 14 5  3  o 33.7566  0.228221  1140.91      15.4079  1142.18      21.824   1139.64      21.7564  33.7543  0.323277  33.717   0.322633  
1 1 1 14 5  4  o 10.8092  0.0770176 116.856      1.665    114.838      2.34424  118.911      2.36524  10.7147  0.109394  10.9031  0.108467  
1 1 1 14 5  5  o 20.848   0.138868  434.846      5.79023  435.541      8.20403  434.156      8.1733   20.8596  0.196648  20.8265  0.196223  
1 1 1 14 5  6  o 19.4437  0.135666  378.232      5.27568  375.455      7.40823  381.089      7.51478  19.3677  0.191252  19.5123  0.192565  
1 1 1 14 5  7  o 6.64328  0.057773  44.137       0.767604 44.4731      1.09155  43.8081      1.07966  6.66824  0.0818472 6.6182   0.0815673 
1 1 1 14 5  8  o 4.37265  0.0547171 19.1216      0.478518 18.4653      0.650779 19.8941      0.706046 4.29679  0.0757285 4.45991  0.0791548 
1 1 1 14 5  9  o 10.8468  0.0942278 117.683      2.04415  114.707      2.66883  121.905      3.17949  10.7079  0.12462   11.0379  0.144026  
1 1 1 14 5  10 o 5.21589  0.0598552 27.2082      0.624396 26.9071      0.864507 27.5366      0.902795 5.1867   0.0833388 5.24699  0.0860299 
1 1 1 14 5  11 o 18.367   0.135897  337.513      4.99206  335.62       7.02095  339.449      7.09938  18.311   0.191714  18.415   0.192761  
1 1 1 14 5  12 o 9.93777  0.0757327 98.7735      1.50523  98.6064      2.12178  98.9427      2.13572  9.92864  0.106851  9.94554  0.107371  
1 1 1 14 5  13 o 10.5636  0.0800573 111.606      1.69138  110.658      2.37592  112.58       2.40835  10.5178  0.112948  10.6087  0.113508  
1 1 1 14 5  14 o 1.71058  0.147176  2.92746      0.503515 2.48883      0.744751 3.29676      0.683358 1.57663  0.236184  1.81499  0.188254  
1 1 1 14 5  15 o 4.79733  0.0702393 23.0164      0.673923 22.1368      0.913861 24.065       0.997803 4.70458  0.0971247 4.90516  0.10171   
1 1 1 14 5  16 o 15.3711  0.112493  236.315      3.45829  234.907      4.86244  237.757      4.91958  15.3237  0.158657  15.4164  0.159557  
1 1 1 14 5  17 o 34.0538  0.231805  1160.58      15.7877  1142.61      21.5279  1181.5       23.2226  33.7766  0.318681  34.3433  0.338095  
1 1 1 14 5  18 o 11.435   0.0917023 130.775      2.09722  133.81       3.02573  127.968      2.90953  11.5661  0.130802  11.3109  0.128616  
1 1 1 14 5  19 o 6.29488  0.075987  39.6296      0.956659 38.5184      1.34437  40.7694      1.36164  6.20567  0.108318  6.38445  0.106637  
1 1 1 14 5  20 o 2.46642  0.143731  6.08578      0.709    6.57068      1.01973  5.63201      0.986455 2.56229  0.198988  2.37213  0.207926  
1 1 1 14 5  21 o 18.3356  0.134421  336.326      4.92936  336.966      6.9972   335.696      6.94542  18.3493  0.190667  18.3148  0.189613  
1 1 1 14 5  22 o 6.6664   0.0946972 44.4509      1.26258  43.4444      1.79377  45.4392      1.77746  6.58968  0.136104  6.73937  0.131871  
1 1 1 14 5  23 o 21.0794  0.173772  444.737      7.326    442.426      10.0392  447.37       10.7149  21.0161  0.238845  21.1309  0.253535  
1 1 1 14 5  24 o 9.1066   0.0953519 82.9582      1.73666  84.0246      2.56247  82.0524      2.3618   9.16313  0.139825  9.05539  0.130409  
1 1 1 14 5  25 o 17.9865  0.142459  323.834      5.12468  324.048      7.25305  323.621      7.24175  17.9835  0.201658  17.9717  0.201476  
1 1 1 14 5  26 o 2.89465  0.17479   8.39432      1.01191  8.43934      1.44572  8.35108      1.41684  2.89964  0.249292  2.8846   0.245587  
1 1 1 14 5  27 f 9.5697   0.0995876 91.6472      1.90605  92.5766      2.84267  90.8882      2.56915  9.6137   0.147845  9.52696  0.134836  
1 1 1 14 5  28 o 7.16237  0.0987941 51.351       1.4152   52.1962      1.97965  50.4676      2.02387  7.21778  0.137137  7.0967   0.142592  
1 1 1 14 5  29 o 1.08829  0.35975   1.14871      0.910583 0.373288     1.31031  1.87295      1.26633  1.00145  0.410194  1.3559   0.42221   
1 1 1 14 5  30 o 4.34343  0.117907  18.9042      1.02424  18.0121      1.43401  19.8334      1.46342  4.235    0.169305  4.44448  0.164634  
1 1 1 14 5  31 o 2.84567  0.159147  8.13512      0.905759 8.32183      1.29179  7.95455      1.27036  2.87153  0.22493   2.8073   0.226259  
1 1 1 14 5  32 o 2.85844  0.161681  8.21587      0.924308 8.95464      1.3269   7.51945      1.2883   2.97695  0.222862  2.72623  0.236278  
1 1 1 14 5  33 o 3.19764  0.159327  10.2931      1.01894  10.0252      1.46072  10.5469      1.42205  3.14419  0.232289  3.22722  0.22032   
1 1 1 14 5  34 o 2.9769   0.162619  8.93462      0.968201 8.73838      1.36597  9.13275      1.37254  2.93138  0.23299   2.99766  0.228936  
1 1 1 14 5  35 f 2.57178  0.209362  6.71826      1.07687  8.03249      1.54601  5.47971      1.50083  2.79572  0.276496  2.2969   0.326708  
1 1 1 14 5  36 o 0.692626 0.31531   -0.540443    0.963925 0.118374     1.38864  -1.1531      1.3391   0.955872 0.408708  0.759836 0.355464  
1 1 1 14 5  37 o 1.16112  0.377528  1.42579      1.0028   1.52162      1.42047  1.33058      1.4159   1.23925  0.446843  1.19411  0.444105  
1 1 1 14 5  38 o 2.46335  0.232595  6.26158      1.14592  8.13005      1.68653  4.65924      1.56181  2.77679  0.303683  2.0388   0.397194  
1 1 1 14 5  39 o 2.64667  0.204556  7.20857      1.08278  6.63022      1.53608  7.77976      1.52655  2.4941   0.307942  2.71572  0.281057  
1 1 1 14 5  40 o 1.46296  0.370386  2.45075      1.0853   3.41388      1.5493   1.52272      1.5208   1.68866  0.450331  1.21995  0.458959  
1 1 1 14 5  41 o 0.818036 0.353678  0.116692     1.06111  0.839489     1.54762  -0.524534    1.45768  1.06964  0.442947  0.843102 0.384921  
1 1 1 14 5  42 o 0.902546 0.365882  0.643323     1.03127  0.80288      1.43806  0.474391     1.4797   1.01575  0.424194  0.968153 0.418105  
1 1 1 14 5  43 o 1.14859  0.386888  1.64622      1.05315  3.2097       1.52651  0.226127     1.45483  1.52282  0.461445  0.902246 0.400791  
1 1 1 14 5  44 o 0.773659 0.343523  0.126088     1.06724  0.62766      1.51153  -0.372547    1.50709  0.940521 0.414321  0.812143 0.378831  
1 1 1 14 5  45 o 1.01914  0.39904   1.5004       1.18073  2.10685      1.7383   0.980945     1.60881  1.11142  0.465407  0.943275 0.420115  
1 1 1 14 5  46 o 1.13109  0.427117  2.38013      1.32036  4.29493      1.90684  0.616375     1.83008  1.35045  0.512302  0.85602  0.403936  
1 1 1 14 5  47 o 0.689062 0.336924  -0.606621    1.54746  -0.551009    1.96851  -0.696577    2.50362  0.741532 0.365764  0.774857 0.387235  
1 1 1 14 6  0  o 10.366   0.102596  107.499      2.12656  107.499      2.12656  107.499      2.12656  10.3671  0.0725311 ?        ?         
1 1 1 14 6  1  o 40.5973  0.277422  1651.12      22.5252  1649.65      32.1743  1652.53      31.5459  40.5403  0.396819  40.5788  0.388699  
1 1 1 14 6  2  o 7.62952  0.0596928 58.2145      0.910855 58.5407      1.28063  57.8805      1.29579  7.65055  0.0836955 7.60726  0.0851678 
1 1 1 14 6  3  o 19.978   0.140342  399.308      5.60751  396.157      7.96693  402.402      7.89399  19.894   0.200234  20.0506  0.196852  
1 1 1 14 6  4  o 25.009   0.171445  625.902      8.57536  627.671      12.3048  624.231      11.9574  25.0347  0.245754  24.967   0.239465  
1 1 1 14 6  5  f 7.39211  0.0562099 54.6476      0.831019 55.9314      1.19973  53.4636      1.15219  7.47812  0.0802159 7.31131  0.078795  
1 1 1 14 6  6  f 8.36143  0.0637749 69.9207      1.0665   69.1694      1.49539  70.6985      1.52146  8.31595  0.0899107 8.40736  0.0904841 
1 1 1 14 6  7  o 22.5882  0.157246  510.559      7.10383  509.103      10.0187  512.03       10.0741  22.5487  0.222158  22.6133  0.222748  
1 1 1 14 6  8  o 6.54459  0.0563509 42.8354      0.737588 43.5898      1.05696  42.1193      1.02978  6.60169  0.0800524 6.48938  0.0793436 
1 1 1 14 6  9  o 25.6259  0.196844  657.389      10.0886  659.881      13.9325  654.641      14.6277  25.662   0.271462  25.5571  0.286178  
1 1 1 14 6  10 o 20.5503  0.154889  422.593      6.36602  422.996      8.77566  422.146      9.24878  20.5539  0.213479  20.5318  0.225231  
1 1 1 14 6  11 o 15.4041  0.115421  237.37       3.55593  236.258      4.88246  238.625      5.18925  15.3656  0.158876  15.4418  0.168026  
1 1 1 14 6  12 o 15.6108  0.109549  243.77       3.4203   242.025      4.80697  245.56       4.86767  15.5525  0.15454   15.6656  0.155361  
1 1 1 14 6  13 o 5.64056  0.0624777 31.8189      0.704819 31.6608      0.989181 31.9819      1.00452  5.62627  0.0879073 5.65472  0.0888218 
1 1 1 14 6  14 o 19.3531  0.137156  374.686      5.30877  372.48       7.46641  376.941      7.54974  19.2923  0.193508  19.4074  0.194507  
1 1 1 14 6  15 o 16.5796  0.115565  274.944      3.83203  275.231      5.36616  274.645      5.47406  16.5864  0.161764  16.5686  0.165194  
1 1 1 14 6  16 o 21.3343  0.152593  455.309      6.51095  454.073      9.07282  456.622      9.34916  21.3018  0.212959  21.3611  0.218836  
1 1 1 14 6  17 o 33.6459  0.231583  1132.94      15.5836  1135.35      22.3337  1130.66      21.7549  33.6669  0.331687  33.5986  0.323746  
1 1 1 14 6  18 o 11.0638  0.0865076 122.421      1.9142   122.373      2.68223  122.471      2.73265  11.061   0.121248  11.0653  0.123478  
1 1 1 14 6  19 o 7.51312  0.0746673 56.4528      1.12197  57.2509      1.59333  55.6677      1.58016  7.56566  0.1053    7.46031  0.105904  
1 1 1 14 6  20 o 5.26054  0.0836912 27.6773      0.880521 27.2621      1.24636  28.091       1.24413  5.22053  0.119371  5.29933  0.117386  
1 1 1 14 6  21 o 10.7808  0.0996066 116.25       2.14767  113.863      2.93683  118.995      3.14876  10.6684  0.137642  10.9059  0.14436   
1 1 1 14 6  22 o 8.80367  0.0900797 77.521       1.58606  79.9675      2.36128  75.5097      2.14094  8.94042  0.132057  8.68791  0.123214  
1 1 1 14 6  23 o 18.3164  0.154922  335.736      5.67523  335.159      8.02531  336.313      8.02666  18.2939  0.219344  18.3254  0.219004  
1 1 1 14 6  24 f 6.22629  0.101134  38.7822      1.25938  39.475       1.86461  38.201       1.70778  6.28018  0.148452  6.17837  0.138206  
1 1 1 14 6  25 o 6.25699  0.107169  39.1725      1.3411   40.7702      1.87792  37.5095      1.91586  6.38169  0.147134  6.12074  0.156506  
1 1 1 14 6  26 o 8.37958  0.0961299 70.2574      1.61106  70.5998      2.23582  69.8876      2.32346  8.39774  0.13312   8.35486  0.139048  
1 1 1 14 6  27 o 5.75182  0.10907   33.114       1.2547   33.7725      1.8563   32.5602      1.7025   5.80558  0.159872  5.70116  0.149311  
1 1 1 14 6  28 f 2.92176  0.163784  8.56071      0.957075 8.60672      1.36515  8.51624      1.34216  2.92544  0.233324  2.91021  0.230595  
1 1 1 14 6  29 o 4.34199  0.12064   18.8874      1.04763  20.5446      1.48967  17.2658      1.47361  4.52489  0.164609  4.14697  0.177673  
1 1 1 14 6  30 o 0.97696  0.351882  0.818909     0.880664 0.401826     1.24592  1.23536      1.24497  0.983907 0.400993  1.17661  0.418918  
1 1 1 14 6  31 f 6.66158  0.0965275 44.4536      1.28605  42.6918      1.79546  46.31        1.84297  6.52238  0.137638  6.7935   0.135643  
1 1 1 14 6  32 o 0.711105 0.313586  -0.230275    0.868959 0.312907     1.22739  -0.776122    1.2304   0.955637 0.395025  0.775875 0.354019  
1 1 1 14 6  33 o 2.61489  0.1936    6.90697      1.01249  8.01659      1.46037  5.87993      1.40498  2.80599  0.260224  2.3974   0.29302   
1 1 1 14 6  34 o 5.33929  0.110618  28.6182      1.18125  27.55        1.66332  29.7051      1.67785  5.22778  0.159084  5.42963  0.154509  
1 1 1 14 6  35 o 1.99294  0.275879  4.08018      1.09962  3.77155      1.61428  4.34736      1.50198  1.84334  0.44276   2.00153  0.389093  
1 1 1 14 6  36 o 4.33148  0.133852  18.8966      1.15955  18.9305      1.63872  18.8627      1.64098  4.31956  0.189687  4.31162  0.190298  
1 1 1 14 6  37 f 3.46151  0.161225  12.1404      1.11616  12.2726      1.55297  11.9992      1.60531  3.45917  0.224472  3.41634  0.234947  
1 1 1 14 6  38 o 3.08215  0.192825  9.71043      1.18863  10.0496      1.69739  9.38409      1.66504  3.1014   0.273649  2.99491  0.277978  
1 1 1 14 6  39 o 0.614087 0.294578  -1.31641     1.03943  -0.240403    1.45258  -2.44557     1.48803  0.895453 0.398994  0.678675 0.331506  
1 1 1 14 6  40 o 0.824435 0.357497  0.0521162    1.09021  1.07181      1.57712  -0.881071    1.50874  1.13534  0.455669  0.826549 0.383027  
1 1 1 14 6  41 o 1.28404  0.380235  1.93701      1.04455  1.43156      1.48334  2.4342       1.47116  1.17011  0.449513  1.4064   0.457269  
1 1 1 14 6  42 o 0.839564 0.354665  0.36175      1.02426  -0.498832    1.45048  1.21769      1.44656  0.825098 0.379724  1.09401  0.437514  
1 1 1 14 6  43 o 1.24585  0.386399  1.97969      1.06204  1.28173      1.52832  2.63147      1.4769   1.08194  0.443057  1.37676  0.45816   
1 1 1 14 6  44 o 0.764165 0.341467  0.0690873    1.07069  0.427646     1.52244  -0.2818      1.50607  0.91142  0.407226  0.82066  0.381215  
1 1 1 14 6  45 o 0.862267 0.374986  0.72987      1.20603  0.755747     1.7538   0.706654     1.66115  0.92243  0.421585  0.908385 0.413637  
1 1 1 14 6  46 o 0.651429 0.316798  -0.802995    1.31206  0.043384     1.89969  -1.57502     1.81433  0.801758 0.387688  0.689469 0.342438  
1 1 1 14 6  47 o 0.781994 0.366504  0.638623     1.44465  1.27634      1.88851  -0.260977    2.243    0.856791 0.406934  0.77082  0.382556  
1 1 1 14 7  0  o 15.3769  0.156259  236.591      4.80444  236.591      4.80444  236.591      4.80444  15.3792  0.110462  ?        ?         
1 1 1 14 7  1  o 20.4166  0.138736  417.032      5.66506  411.91       7.91515  422.412      8.11166  20.2862  0.195087  20.543   0.197432  
1 1 1 14 7  2  o 24.0215  0.166622  577.421      8.00501  571.945      11.2152  583.109      11.4295  23.8993  0.234634  24.1311  0.23682   
1 1 1 14 7  3  o 22.663   0.157206  513.924      7.12552  518.567      10.1625  509.435      9.99366  22.758   0.223272  22.557   0.22152   
1 1 1 14 7  4  o 10.9019  0.0787301 118.871      1.71662  120.301      2.45782  117.508      2.39861  10.9665  0.112061  10.8385  0.110653  
1 1 1 14 7  5  o 7.78693  0.0613274 60.6421      0.955105 62.8742      1.38932  58.6419      1.31517  7.92855  0.0876153 7.65708  0.0858794 
1 1 1 14 7  6  o 5.48444  0.0530727 30.0813      0.582149 29.5242      0.800203 30.7077      0.848482 5.43323  0.0736397 5.54103  0.0765636 
1 1 1 14 7  7  o 1.90928  0.0771287 3.64591      0.29452  4.13049      0.422423 3.18754      0.410847 2.03207  0.103939  1.78505  0.11508   
1 1 1 14 7  8  o 8.75849  0.0682719 76.7209      1.19592  77.9943      1.73218  75.561       1.65315  8.83028  0.0980821 8.69151  0.0951013 
1 1 1 14 7  9  o 1.03522  0.171335  1.07255      0.354737 0.971893     0.49431  1.17944      0.509376 0.967212 0.252748  1.064    0.244376  
1 1 1 14 7  10 o 6.09199  0.0598921 37.1159      0.729724 36.6381      1.01708  37.6228      1.04757  6.05237  0.084023  6.13313  0.0854025 
1 1 1 14 7  11 o 17.2578  0.130067  297.962      4.48936  298.994      6.28299  296.885      6.41694  17.2841  0.181756  17.2227  0.186294  
1 1 1 14 7  12 o 17.3388  0.126016  300.751      4.36993  302.972      6.07773  298.373      6.28765  17.3996  0.174652  17.2664  0.182077  
1 1 1 14 7  13 o 1.86276  0.120413  3.47106      0.4486   4.30315      0.632557 2.62911      0.636293 2.07383  0.152509  1.62072  0.1963    
1 1 1 14 7  14 o 5.27307  0.0666077 27.8076      0.702454 27.8632      0.996018 27.7525      0.990842 5.27811  0.0943537 5.26761  0.0940503 
1 1 1 14 7  15 o 8.19084  0.0714781 67.0954      1.17093  66.7241      1.64616  67.4756      1.66591  8.1678   0.100771  8.21366  0.101411  
1 1 1 14 7  16 o 4.11066  0.0783355 16.8991      0.644021 17.013       0.922404 16.7906      0.899592 4.1243   0.111825  4.09727  0.109779  
1 1 1 14 7  17 o 5.2259   0.0768398 27.3124      0.803114 26.3332      1.12553  28.328       1.14631  5.13112  0.109677  5.32194  0.107696  
1 1 1 14 7  18 o 14.4607  0.105887  209.15       3.06241  211.409      4.37507  206.98       4.28804  14.5372  0.150478  14.3842  0.149054  
1 1 1 14 7  19 o 10.8004  0.0887916 116.666      1.91797  116.023      2.73164  117.29       2.69359  10.7697  0.12682   10.8285  0.124375  
1 1 1 14 7  20 o 14.7638  0.107443  218.021      3.17251  219.258      4.50346  216.803      4.46995  14.8037  0.152106  14.7206  0.151826  
1 1 1 14 7  21 o 13.0547  0.113985  170.475      2.97606  167.448      4.15178  173.674      4.26821  12.9363  0.16047   13.1745  0.161987  
1 1 1 14 7  22 o 8.85911  0.0908594 78.5011      1.60987  75.2476      2.18659  82.3522      2.37894  8.67268  0.126062  9.07271  0.131104  
1 1 1 14 7  23 o 24.2699  0.203309  589.793      9.86859  593.829      14.0445  585.857      13.8697  24.3367  0.288546  24.1732  0.286882  
1 1 1 14 7  24 o 5.87414  0.102191  34.5204      1.20057  34.8642      1.72662  34.1986      1.67048  5.90195  0.146276  5.84546  0.142887  
1 1 1 14 7  25 o 5.2355   0.113073  27.4288      1.18399  27.8366      1.65028  26.9962      1.69964  5.27269  0.156493  5.19217  0.163673  
1 1 1 14 7  26 o 9.36752  0.096719  87.8027      1.81203  86.3071      2.5704   89.2802      2.55487  9.28443  0.138426  9.44325  0.135275  
1 1 1 14 7  27 o 5.38477  0.111656  29.0251      1.20249  29.8325      1.71016  28.2356      1.69114  5.45642  0.156711  5.3082   0.159295  
1 1 1 14 7  28 o 4.85804  0.108266  23.6302      1.05192  21.9404      1.47866  25.3616      1.49677  4.67782  0.158051  5.0301   0.148782  
1 1 1 14 7  29 o 4.79207  0.112984  23.0021      1.08286  24.4166      1.51248  21.5146      1.55104  4.93376  0.153278  4.62992  0.167501  
1 1 1 14 7  30 o 3.18363  0.144509  10.1684      0.920128 9.87828      1.30564  10.4547      1.29692  3.13229  0.208416  3.22313  0.201189  
1 1 1 14 7  31 o 3.9475   0.125257  15.6294      0.9889   14.5925      1.39597  16.6739      1.40108  3.80782  0.183303  4.07188  0.172043  
1 1 1 14 7  32 o 2.70499  0.167631  7.36258      0.906881 7.81671      1.28689  6.91455      1.2782   2.77944  0.231501  2.61235  0.244646  
1 1 1 14 7  33 o 3.92777  0.140321  15.5116      1.10229  15.8841      1.56887  15.1485      1.54908  3.96422  0.197879  3.87087  0.200094  
1 1 1 14 7  34 o 0.852838 0.342044  0.396864     0.887751 0.136415     1.25941  0.654076     1.25156  0.923787 0.39191   1.02467  0.407906  
1 1 1 14 7  35 o 2.53586  0.219545  6.54136      1.11347  5.96808      1.60459  7.07382      1.5464   2.39491  0.335001  2.61876  0.295254  
1 1 1 14 7  36 o 2.69254  0.188218  7.35345      1.01357  7.56059      1.44177  7.15105      1.42518  2.71077  0.265934  2.63506  0.270425  
1 1 1 14 7  37 o 2.38606  0.218175  5.83362      1.04116  6.76062      1.44678  4.83786      1.49948  2.54735  0.283977  2.13216  0.351634  
1 1 1 14 7  38 o 1.18852  0.400717  1.50429      1.12978  1.13771      1.64139  1.83432      1.55741  1.18052  0.468017  1.31468  0.468496  
1 1 1 14 7  39 o 0.763853 0.339979  -0.232357    1.05203  -0.331511    1.43968  -0.118741    1.5411   0.877366 0.393901  0.936694 0.414748  
1 1 1 14 7  40 o 0.746003 0.338303  -0.406792    1.0885   -0.593202    1.54839  -0.22466     1.53052  0.870611 0.397217  0.91243  0.407975  
1 1 1 14 7  41 o 2.0364   0.264799  4.44324      1.07847  2.57578      1.53821  6.24881      1.5125   1.43429  0.467572  2.38117  0.317596  
1 1 1 14 7  42 o 0.73316  0.329034  -0.176218    1.00372  1.05671      1.42212  -1.40003     1.41684  1.05714  0.429224  0.719531 0.344861  
1 1 1 14 7  43 o 0.852849 0.361508  0.466413     1.07012  0.0317548    1.50801  0.907311     1.5188   0.880703 0.398851  1.01103  0.429706  
1 1 1 14 7  44 o 0.717596 0.329516  -0.261657    1.08557  0.507715     1.58143  -0.947254    1.49285  0.929122 0.41509   0.748174 0.35748   
1 1 1 14 7  45 o 0.67837  0.320303  -0.480944    1.1541   -0.707325    1.63555  -0.256439    1.62876  0.759409 0.365554  0.797725 0.378422  
1 1 1 14 7  46 o 0.72197  0.342001  -0.0378488   1.32613  -0.375383    1.90533  0.2793       1.8469   0.768053 0.375153  0.810354 0.389681  
1 1 1 14 7  47 o 0.832711 0.380908  1.13765      1.43516  -0.412235    1.82014  3.68483      2.33338  0.722572 0.355889  1.02487  0.47547   
1 1 1 14 8  0  o 1.69512  0.082443  2.894        0.277994 2.894        0.277994 2.894        0.277994 1.69817  0.0580309 ?        ?         
1 1 1 14 8  1  o 5.97976  0.0622198 35.761       0.744119 34.7141      1.08992  36.6749      1.01841  5.89125  0.0925031 6.05545  0.08409   
1 1 1 14 8  2  o 8.31868  0.0620158 69.207       1.03178  68.9093      1.45228  69.5104      1.46613  8.30037  0.0874826 8.33649  0.0879348 
1 1 1 14 8  3  o 15.0927  0.106071  227.855      3.20182  228.261      4.53637  227.451      4.51979  15.104   0.150171  15.0772  0.149888  
1 1 1 14 8  4  o 8.48546  0.0652906 72.0108      1.10804  72.1308      1.56747  71.8909      1.56655  8.49206  0.0922902 8.47793  0.0923898 
1 1 1 14 8  5  o 10.7722  0.0828745 116.061      1.78548  116.208      2.49848  115.908      2.5525   10.7781  0.115905  10.7641  0.118565  
1 1 1 14 8  6  o 10.2508  0.0769553 105.096      1.57771  106.299      2.30614  104.036      2.16315  10.3084  0.111857  10.1983  0.106054  
1 1 1 14 8  7  o 15.03    0.107629  225.97       3.2353   226.819      4.76045  225.242      4.4104   15.0554  0.158097  15.0037  0.146977  
1 1 1 14 8  8  o 11.4092  0.095006  130.202      2.16788  129.314      2.96332  131.225      3.17982  11.369   0.130325  11.4523  0.138829  
1 1 1 14 8  9  o 10.7177  0.0891108 114.894      1.91012  117.838      2.71553  112.011      2.68733  10.8529  0.125106  10.5812  0.126987  
1 1 1 14 8  10 o 7.56908  0.0624415 57.2968      0.945249 56.6171      1.32119  58.0096      1.35294  7.52367  0.0878021 7.61561  0.0888271 
1 1 1 14 8  11 o 4.90501  0.0637483 24.0615      0.625372 25.2967      0.894826 22.8823      0.874347 5.02908  0.0889652 4.78304  0.0914008 
1 1 1 14 8  12 o 6.77651  0.0652272 45.9258      0.884025 45.9251      1.26749  45.9264      1.2336   6.77609  0.0935266 6.77622  0.0910241 
1 1 1 14 8  13 o 1.73403  0.133947  3.00804      0.464536 2.54487      0.645478 3.50568      0.669061 1.59453  0.202404  1.87168  0.178733  
1 1 1 14 8  14 o 3.17072  0.0839123 10.0547      0.532125 10.2616      0.71913  9.80444      0.79108  3.203    0.112259  3.13075  0.126341  
1 1 1 14 8  15 o 10.8678  0.0856871 118.123      1.86247  119.616      2.65556  116.678      2.61281  10.9357  0.121418  10.8005  0.120958  
1 1 1 14 8  16 f 23.2184  0.158183  539.294      7.34553  538.734      10.4882  539.834      10.2909  23.2017  0.226022  23.2258  0.221541  
1 1 1 14 8  17 o 9.87994  0.0848466 97.6237      1.67656  95.098       2.27051  100.652      2.48616  9.75081  0.116427  10.0314  0.123919  
1 1 1 14 8  18 o 10.8247  0.0855032 117.187      1.85109  113.799      2.53204  121.077      2.71298  10.6664  0.118692  11.0021  0.123294  
1 1 1 14 8  19 o 5.91013  0.0764506 34.9337      0.903666 35.053       1.28234  34.816       1.27366  5.91987  0.108308  5.89983  0.107941  
1 1 1 14 8  20 o 6.75871  0.0797926 45.6864      1.07859  46.7765      1.56184  44.6925      1.49132  6.83838  0.114197  6.68436  0.111553  
1 1 1 14 8  21 o 13.0705  0.113956  170.89       2.97891  170.444      4.20502  171.339      4.22065  13.0514  0.161095  13.0856  0.161271  
1 1 1 14 8  22 o 3.56282  0.129545  12.6995      0.923088 13.2312      1.32134  12.1927      1.29011  3.63581  0.181712  3.49015  0.184821  
1 1 1 14 8  23 o 8.04105  0.11599   64.687       1.86537  63.3609      2.68282  65.928       2.59541  7.95625  0.168598  8.11621  0.15989   
1 1 1 14 8  24 o 10.9183  0.102465  119.264      2.23748  119.177      3.2941   119.338      3.04869  10.9113  0.150949  10.9195  0.139599  
1 1 1 14 8  25 o 3.31661  0.155179  11.0143      1.02934  10.6295      1.42116  11.4389      1.4929   3.25611  0.218229  3.37771  0.220993  
1 1 1 14 8  26 f 3.2116   0.154742  10.3307      0.993942 9.84775      1.40212  10.8186      1.4092   3.13286  0.223776  3.2841   0.214549  
1 1 1 14 8  27 o 5.53178  0.108956  30.6317      1.20544  28.6934      1.69031  32.6377      1.71957  5.35088  0.157947  5.70737  0.150645  
1 1 1 14 8  28 o 2.33931  0.192619  5.49463      0.901191 4.97924      1.26902  6.01898      1.28001  2.22152  0.28562   2.4442   0.261845  
1 1 1 14 8  29 o 2.82177  0.166409  7.99221      0.939138 7.50308      1.29976  8.52654      1.35847  2.72873  0.238162  2.90932  0.233469  
1 1 1 14 8  30 o 2.01096  0.215279  4.07408      0.865839 4.62393      1.22484  3.52487      1.22412  2.13614  0.286694  1.83105  0.346863  
1 1 1 14 8  31 o 4.38152  0.115688  19.2482      1.01378  20.0154      1.42946  18.4718      1.43797  4.46265  0.160158  4.28608  0.167749  
1 1 1 14 8  32 o 0.867517 0.340895  0.468876     0.863704 1.26619      1.22554  -0.317907    1.21742  1.17321  0.415843  0.838045 0.37016   
1 1 1 14 8  33 o 0.95815  0.363639  0.703679     0.961082 1.29011      1.36761  0.131493     1.3509   1.20138  0.437929  0.956048 0.40576   
1 1 1 14 8  34 o 1.09536  0.354853  1.22424      0.886337 1.18808      1.26067  1.25959      1.24639  1.15011  0.42034   1.16527  0.418727  
1 1 1 14 8  35 o 6.04274  0.117032  36.6963      1.41439  35.8546      2.02818  37.4931      1.97345  5.95632  0.170254  6.09396  0.161918  
1 1 1 14 8  36 o 1.03749  0.368886  1.01568      0.965061 0.649637     1.34984  1.39841      1.38028  1.04095  0.419992  1.213    0.44017   
1 1 1 14 8  37 o 1.03202  0.372611  1.00604      0.988004 0.440557     1.40019  1.5668       1.39433  1.00469  0.419008  1.24278  0.443248  
1 1 1 14 8  38 o 0.823974 0.358221  -0.0188757   1.09996  1.35893      1.60053  -1.2521      1.51422  1.21491  0.466873  0.797408 0.373996  
1 1 1 14 8  39 o 0.946445 0.373979  0.686251     1.04485  2.33083      1.4683   -1.00087     1.48717  1.4124   0.456644  0.80868  0.376868  
1 1 1 14 8  40 o 2.14455  0.258201  4.85585      1.10745  4.40425      1.56755  5.30588      1.5648   1.93475  0.417006  2.18961  0.357324  
1 1 1 14 8  41 o 2.26793  0.240826  5.45682      1.09235  5.71133      1.56064  5.21238      1.52947  2.25252  0.346422  2.14479  0.356555  
1 1 1 14 8  42 o 0.897344 0.364623  0.63567      1.02705  0.496331     1.46009  0.772139     1.44498  0.963325 0.415664  1.00682  0.423088  
1 1 1 14 8  43 o 0.883887 0.369665  0.606725     1.09457  0.663365     1.52188  0.546029     1.57542  0.968318 0.421173  0.95993  0.422914  
1 1 1 14 8  44 o 0.767187 0.34204   0.109356     1.06886  1.16359      1.54218  -0.865216    1.48277  1.01724  0.432694  0.750708 0.358112  
1 1 1 14 8  45 o 0.800827 0.357927  0.412242     1.17698  1.1779       1.73104  -0.246043    1.60508  0.962449 0.432016  0.793408 0.376037  
1 1 1 14 8  46 o 0.807831 0.369817  0.71114      1.35575  0.894964     1.93702  0.534609     1.89821  0.858206 0.409372  0.827642 0.397278  
1 1 1 14 8  47 o 0.697579 0.340557  -0.247812    1.56378  0.479955     2.21825  -0.966818    2.20486  0.786114 0.387879  0.716397 0.358199  
1 1 1 14 9  0  o 1.85346  0.0812939 3.45539      0.300031 3.45539      0.300031 3.45539      0.300031 1.85618  0.0572713 ?        ?         
1 1 1 14 9  1  o 13.03    0.0901723 169.816      2.34989  171.391      3.35361  168.296      3.29369  13.0889  0.128109  12.9703  0.126971  
1 1 1 14 9  2  o 10.466   0.0755413 109.553      1.58123  108.711      2.22064  110.419      2.25209  10.425   0.106506  10.5065  0.107176  
1 1 1 14 9  3  o 7.56146  0.0617963 57.1813      0.934541 55.6825      1.27479  58.9227      1.37406  7.46137  0.0854263 7.67532  0.0895117 
1 1 1 14 9  4  o 17.5397  0.130299  307.775      4.57079  307.095      6.37319  308.496      6.55896  17.5166  0.181919  17.5561  0.1868    
1 1 1 14 9  5  o 7.17865  0.0599556 51.5379      0.860801 51.2422      1.21378  51.8372      1.22097  7.15768  0.0847885 7.19912  0.0847997 
1 1 1 14 9  6  o 2.97761  0.0511961 8.86676      0.304884 9.2999       0.434394 8.44625      0.428017 3.04937  0.071227  2.90603  0.073643  
1 1 1 14 9  7  o 6.211    0.055467  38.5798      0.689011 39.6866      1.01159  37.6219      0.941047 6.29918  0.0802954 6.13317  0.0767178 
1 1 1 14 9  8  o 12.192   0.0976125 148.684      2.38018  151.011      3.5025   146.688      3.24446  12.2852  0.14255   12.1084  0.133975  
1 1 1 14 9  9  o 3.21753  0.0667586 10.3538      0.429596 10.1501      0.59357  10.5778      0.622547 3.18555  0.0931659 3.25195  0.0957192 
1 1 1 14 9  10 o 7.10666  0.0626531 50.5098      0.890509 50.7709      1.23583  50.2277      1.28431  7.12468  0.086729  7.0864   0.0906176 
1 1 1 14 9  11 o 15.9092  0.119063  253.192      3.78841  253.162      5.49114  253.218      5.2334   15.9052  0.172621  15.9075  0.164495  
1 1 1 14 9  12 o 14.224   0.0998588 202.369      2.84078  203.114      4.07533  201.664      3.962    14.2483  0.143011  14.1976  0.139531  
1 1 1 14 9  13 o 19.4324  0.134341  377.757      5.22114  378.06       7.38894  377.454      7.37868  19.4365  0.190079  19.4209  0.189967  
1 1 1 14 9  14 o 6.15519  0.0649624 37.889       0.799712 37.8309      1.14066  37.9453      1.12151  6.15022  0.0927332 6.15953  0.0910386 
1 1 1 14 9  15 o 9.78874  0.0825468 95.829       1.61606  95.5694      2.23016  96.116       2.34507  9.775    0.114075  9.80282  0.119612  
1 1 1 14 9  16 o 12.2173  0.0929017 149.282      2.27002  149.184      3.10418  149.395      3.3281   12.2126  0.127089  12.221   0.136163  
1 1 1 14 9  17 o 8.48621  0.0777012 72.0222      1.31878  71.8265      1.81511  72.2411      1.91932  8.47431  0.107095  8.49864  0.112919  
1 1 1 14 9  18 o 18.3275  0.128016  335.994      4.69245  335.544      6.55989  336.465      6.71508  18.3127  0.179108  18.3376  0.183096  
1 1 1 14 9  19 o 14.9345  0.107294  223.092      3.20477  223.611      4.54437  222.578      4.52019  14.9501  0.151984  14.9156  0.151526  
1 1 1 14 9  20 o 13.3345  0.101324  177.849      2.70221  177.715      3.86456  177.978      3.77986  13.3279  0.14498   13.3379  0.141696  
1 1 1 14 9  21 o 15.1455  0.128821  229.48       3.90213  228.675      5.57549  230.253      5.46312  15.1157  0.184428  15.168   0.180087  
1 1 1 14 9  22 o 7.38265  0.0893994 54.516       1.32001  52.9595      1.85454  56.1142      1.87926  7.27563  0.127448  7.48925  0.125464  
1 1 1 14 9  23 o 7.31901  0.106459  53.5889      1.55835  52.8066      2.28785  54.266       2.12846  7.26369  0.157486  7.36388  0.14452   
1 1 1 14 9  24 o 7.615    0.0960126 58.0126      1.46227  55.459       2.06317  60.5901      2.07279  7.44379  0.138583  7.78078  0.133199  
1 1 1 14 9  25 o 7.39717  0.0970452 54.747       1.43572  53.0048      1.96819  56.7284      2.09894  7.27671  0.135239  7.52773  0.139414  
1 1 1 14 9  26 o 4.53806  0.117239  20.6135      1.06407  21.6501      1.53551  19.6557      1.47592  4.64855  0.16516   4.42919  0.166612  
1 1 1 14 9  27 o 5.05475  0.112958  25.5801      1.14195  25.4085      1.60449  25.7561      1.62565  5.03489  0.159337  5.06914  0.160348  
1 1 1 14 9  28 o 7.23314  0.0930152 52.3692      1.34558  53.3199      1.90475  51.4221      1.90114  7.29505  0.130551  7.16382  0.132691  
1 1 1 14 9  29 o 5.06124  0.109556  25.6588      1.10898  25.758       1.5517   25.5553      1.58551  5.06697  0.153119  5.04656  0.157088  
1 1 1 14 9  30 o 1.50141  0.291927  2.36117      0.845319 1.76513      1.18226  2.98459      1.20911  1.3112   0.407887  1.67653  0.370493  
1 1 1 14 9  31 o 2.47508  0.177894  6.16484      0.880601 5.97308      1.24671  6.35577      1.24401  2.42807  0.256728  2.5057   0.248237  
1 1 1 14 9  32 o 3.64634  0.131207  13.3497      0.956852 11.9203      1.33937  14.8396      1.36745  3.43728  0.194831  3.83793  0.178149  
1 1 1 14 9  33 o 1.02437  0.357749  0.985147     0.904103 0.489148     1.25623  1.51812      1.3022   0.99402  0.403474  1.24586  0.429897  
1 1 1 14 9  34 o 1.40788  0.333546  2.13564      0.925965 1.73589      1.31338  2.53072      1.30567  1.2981   0.432053  1.52037  0.41703   
1 1 1 14 9  35 o 1.46076  0.357052  2.32014      1.03578  5.16567      1.52565  -0.112749    1.41071  2.22423  0.342962  0.927357 0.40443   
1 1 1 14 9  36 o 2.09966  0.241754  4.52395      1.0152   4.17003      1.4217   4.89218      1.45015  1.95285  0.37748   2.15782  0.336021  
1 1 1 14 9  37 o 1.1421   0.375677  1.37872      0.992994 0.703254     1.33909  2.20391      1.48008  1.03767  0.418462  1.40676  0.458653  
1 1 1 14 9  38 o 1.99397  0.275933  4.16498      1.1004   2.64121      1.62034  5.4693       1.49912  1.50711  0.47895   2.26149  0.331446  
1 1 1 14 9  39 o 1.2676   0.37821   1.82188      1.03081  2.51363      1.44559  1.1063       1.4703   1.45952  0.450429  1.12718  0.444189  
1 1 1 14 9  40 f 0.887127 0.368326  0.421546     1.07446  2.47895      1.51353  -1.66877     1.52559  1.43197  0.463689  0.747603 0.358204  
1 1 1 14 9  41 o 0.870262 0.362636  0.437465     1.04741  0.0668442    1.47458  0.814884     1.48804  0.916877 0.405871  1.03997  0.432724  
1 1 1 14 9  42 o 2.18474  0.239948  5.1299       1.04845  3.91913      1.45851  6.42454      1.50819  1.76068  0.419564  2.38397  0.316319  
1 1 1 14 9  43 o 0.840727 0.358795  0.438059     1.06662  1.2879       1.50315  -0.423842    1.51377  1.06525  0.438338  0.820245 0.381471  
1 1 1 14 9  44 f 2.33428  0.239533  6.09906      1.11827  5.07677      1.61902  7.03172      1.54643  1.88887  0.436921  2.40543  0.321446  
1 1 1 14 9  45 o 1.01782  0.399531  1.55886      1.1852   3.01119      1.74648  0.319049     1.61365  1.24571  0.485812  0.850176 0.394799  
1 1 1 14 9  46 o 0.693336 0.332643  -0.256356    1.32663  -1.9526      1.8824   1.41749      1.86993  0.667947 0.333974  0.894883 0.418975  
1 1 1 14 9  47 o 1.04218  0.430736  2.80989      1.45899  3.48345      1.96452  1.98146      2.17871  1.0042   0.454984  0.849482 0.411576  
1 1 1 14 10 0  o 7.86601  0.0817318 61.8994      1.28549  61.8994      1.28549  61.8994      1.28549  7.86681  0.0577801 ?        ?         
1 1 1 14 10 1  o 7.86818  0.0614553 61.9142      0.967082 63.037       1.44235  60.9971      1.30349  7.93874  0.0908424 7.80936  0.0834568 
1 1 1 14 10 2  o 20.9153  0.150568  437.706      6.29834  434.812      8.74539  440.826      9.07832  20.8402  0.20982   20.9831  0.216324  
1 1 1 14 10 3  o 12.2823  0.094299  150.889      2.31641  151.237      3.27954  150.542      3.27227  12.295   0.133369  12.2667  0.13338   
1 1 1 14 10 4  o 18.7796  0.142912  352.862      5.36766  351.536      7.67618  354.132      7.50861  18.7389  0.20482   18.8085  0.199607  
1 1 1 14 10 5  o 12.7295  0.0979036 162.082      2.49253  163.301      3.64316  161.01       3.41758  12.7754  0.142585  12.6859  0.1347    
1 1 1 14 10 6  f 3.3134   0.0501227 10.9794      0.332153 11.2602      0.475466 10.7116      0.464206 3.3554   0.0708508 3.27264  0.0709224 
1 1 1 14 10 7  o 13.465   0.103549  181.361      2.78857  181.365      3.94164  181.357      3.94562  13.4632  0.146386  13.4629  0.146537  
1 1 1 14 10 8  o 16.6659  0.130128  277.883      4.33741  281.224      6.37916  275.01       5.91515  16.7614  0.190294  16.5762  0.178423  
1 1 1 14 10 9  o 8.33536  0.0683111 69.4867      1.1388   69.7266      1.6103   69.2467      1.6107   8.34922  0.0964343 8.32043  0.0967917 
1 1 1 14 10 10 o 9.47746  0.0773262 89.8358      1.46571  88.2573      2.04209  91.513       2.105    9.39313  0.108701  9.56478  0.110039  
1 1 1 14 10 11 o 12.0829  0.0906797 146.026      2.19135  148.727      3.11494  143.38       3.08338  12.1929  0.127735  11.9717  0.128778  
1 1 1 14 10 12 o 14.4913  0.101472  210.047      2.94092  210.875      4.21756  209.263      4.10299  14.518   0.145253  14.4625  0.141849  
1 1 1 14 10 13 o 3.5766   0.0714152 12.7933      0.510847 13.0813      0.714608 12.4924      0.730551 3.61646  0.0987993 3.53409  0.103358  
1 1 1 14 10 14 o 6.35538  0.0670403 40.3938      0.852133 38.4527      1.1937   42.4109      1.21683  6.20056  0.0962576 6.5119   0.0934311 
1 1 1 14 10 15 o 5.08703  0.0707003 25.8798      0.719309 25.308       1.01029  26.4676      1.02437  5.03032  0.10042   5.14429  0.0995639 
1 1 1 14 10 16 o 15.9705  0.115136  255.109      3.67756  250.732      4.95537  260.474      5.48687  15.8316  0.156503  16.1357  0.170023  
1 1 1 14 10 17 o 23.1076  0.169224  534.196      7.82072  538.796      10.7525  529.029      11.3959  23.2021  0.231714  22.9895  0.247849  
1 1 1 14 10 18 o 6.15996  0.0746263 37.949       0.919391 37.5864      1.26702  38.3523      1.33617  6.13017  0.103343  6.19226  0.10789   
1 1 1 14 10 19 o 7.33312  0.0773396 53.7814      1.13428  53.9031      1.60962  53.6613      1.59866  7.34095  0.109633  7.32448  0.109132  
1 1 1 14 10 20 o 12.1792  0.103492  148.367      2.5209   146.464      3.54017  150.325      3.59053  12.0994  0.146295  12.2578  0.146459  
1 1 1 14 10 21 o 12.3623  0.100416  152.865      2.48273  154.868      3.55052  150.949      3.473    12.4414  0.14269   12.283   0.141374  
1 1 1 14 10 22 o 16.8745  0.134888  284.904      4.55234  287.359      6.57564  282.643      6.30862  16.9422  0.194061  16.8032  0.187721  
1 1 1 14 10 23 o 4.76035  0.116776  22.6723      1.11179  22.1143      1.68663  23.1011      1.47847  4.69979  0.179436  4.80425  0.153871  
1 1 1 14 10 24 o 7.42344  0.0974178 55.1324      1.44635  53.0751      2.00953  57.3436      2.08336  7.28194  0.13798   7.56912  0.137623  
1 1 1 14 10 25 o 3.3572   0.151989  11.286       1.02052  11.2979      1.40941  11.2728      1.4796   3.35691  0.209927  3.35273  0.220655  
1 1 1 14 10 26 o 6.84088  0.0958808 46.8287      1.31182  45.1589      1.90406  48.3375      1.8099   6.71511  0.141774  6.94821  0.130242  
1 1 1 14 10 27 o 1.30404  0.340648  1.78311      0.898112 0.943456     1.27538  2.60905      1.26493  1.11742  0.420315  1.57302  0.400828  
1 1 1 14 10 28 f 6.72272  0.0933375 45.2406      1.25496  44.9273      1.76168  45.5633      1.78819  6.69604  0.131546  6.74316  0.132593  
1 1 1 14 10 29 o 2.75299  0.169573  7.61002      0.933663 8.71467      1.31372  6.48263      1.32718  2.94157  0.223303  2.53368  0.261907  
1 1 1 14 10 30 o 2.46024  0.17498   6.08478      0.860984 7.93783      1.21886  4.23927      1.21638  2.80593  0.217193  2.04327  0.297654  
1 1 1 14 10 31 o 1.95494  0.218165  3.85897      0.853003 3.58727      1.2049   4.13196      1.20776  1.84498  0.339227  2.01441  0.29978   
1 1 1 14 10 32 o 2.18996  0.21005   4.84749      0.920003 5.47812      1.30735  4.22882      1.2949   2.31822  0.281973  2.03146  0.318712  
1 1 1 14 10 33 o 2.89508  0.159951  8.44473      0.92614  9.23275      1.30528  7.6458       1.31429  3.01792  0.216255  2.74211  0.239648  
1 1 1 14 10 34 o 1.84454  0.260313  3.48351      0.960317 2.91485      1.32119  4.12047      1.39828  1.62921  0.406374  1.95449  0.371131  
1 1 1 14 10 35 o 3.26554  0.156599  10.7643      1.02276  9.59888      1.44058  11.9487      1.45229  3.06577  0.234946  3.42717  0.211879  
1 1 1 14 10 36 o 2.81432  0.184642  8.04921      1.03928  8.65738      1.41299  7.3324       1.534    2.90177  0.24347   2.65573  0.288809  
1 1 1 14 10 37 o 1.02897  0.371171  1.0091       0.980185 0.990666     1.33179  1.03089      1.44785  1.09459  0.424776  1.12673  0.441733  
1 1 1 14 10 38 o 0.928035 0.369403  0.600425     1.02634  0.148965     1.45743  1.04458      1.44558  0.960736 0.414925  1.12121  0.440882  
1 1 1 14 10 39 o 1.00732  0.379094  0.936453     1.03774  0.779444     1.46127  1.09621      1.47399  1.06106  0.433656  1.12523  0.444326  
1 1 1 14 10 40 o 0.726908 0.330857  -0.446718    1.06029  -2.13405     1.50851  1.20079      1.4906   0.702499 0.341021  1.1355   0.447315  
1 1 1 14 10 41 o 1.90274  0.272315  3.92268      1.03629  3.77653      1.44658  4.07675      1.48526  1.74929  0.418475  1.82177  0.416527  
1 1 1 14 10 42 o 2.15167  0.234737  4.96905      1.01015  4.83612      1.43043  5.10128      1.42672  2.00561  0.370543  2.1027   0.339259  
1 1 1 14 10 43 o 1.92258  0.290584  4.24478      1.11734  4.63802      1.60163  3.87195      1.55953  1.83555  0.441105  1.6487   0.457267  
1 1 1 14 10 44 o 0.794428 0.349326  0.321877     1.0705   -0.124735    1.53778  0.741793     1.49111  0.827036 0.384573  0.930225 0.410424  
1 1 1 14 10 45 o 0.760048 0.34728   0.135542     1.18919  -0.661541    1.70201  0.895806     1.66224  0.769476 0.371014  0.918562 0.417065  
1 1 1 14 10 46 o 0.63387  0.30896   -0.764948    1.26846  -1.79723     1.79734  0.259401     1.79042  0.659025 0.329171  0.784487 0.378811  
1 1 1 14 10 47 o 0.611024 0.302749  -0.798807    1.38732  -1.22288     1.87445  -0.285131    2.063    0.641723 0.322954  0.697625 0.348812  
1 1 1 14 11 0  o 12.697   0.127416  161.296      3.23487  161.296      3.23487  161.296      3.23487  12.6986  0.0900752 ?        ?         
1 1 1 14 11 1  o 15.4005  0.107992  237.247      3.32627  238.843      4.73519  235.693      4.67352  15.4498  0.153245  15.3476  0.152256  
1 1 1 14 11 2  o 13.7407  0.104367  188.862      2.86816  190.942      4.0984   186.866      4.01527  13.8142  0.148341  13.666   0.146907  
1 1 1 14 11 3  o 5.80236  0.0599767 33.6706      0.696014 33.9876      1.01069  33.3847      0.959895 5.82931  0.0866906 5.77742  0.083073  
1 1 1 14 11 4  o 26.0944  0.200307  681.651      10.4538  692.695      15.4407  672.304      14.2043  26.2886  0.293676  25.9026  0.274187  
1 1 1 14 11 5  o 12.85    0.0988645 165.166      2.54081  166.31       3.61542  164.049      3.57148  12.8927  0.140212  12.8048  0.139459  
1 1 1 14 11 6  o 6.90465  0.0598776 47.6789      0.826868 48.9656      1.22813  46.612       1.11831  6.9968   0.0877638 6.82667  0.0819071 
1 1 1 14 11 7  o 15.6413  0.11905   244.748      3.72419  244.987      5.27243  244.51       5.26118  15.6458  0.168493  15.6306  0.168297  
1 1 1 14 11 8  o 23.0101  0.168256  529.866      7.74317  532.326      10.7373  527.201      11.177   23.0554  0.232857  22.9426  0.243585  
1 1 1 14 11 9  o 11.1574  0.0830267 124.509      1.85272  123.38       2.59886  125.675      2.64195  11.1057  0.117006  11.2085  0.117855  
1 1 1 14 11 10 o 1.27627  0.156089  1.62983      0.398422 1.74227      0.564178 1.51797      0.562732 1.3192   0.213833  1.21006  0.241069  
1 1 1 14 11 11 o 2.68888  0.0836704 7.23126      0.449959 7.74006      0.631356 6.70606      0.64144  2.78167  0.113485  2.58913  0.123872  
1 1 1 14 11 12 o 8.03301  0.0690876 64.5358      1.10996  64.9487      1.61304  64.1645      1.52972  8.05821  0.100087  8.00949  0.0954942 
1 1 1 14 11 13 o 10.1657  0.0767585 103.351      1.5606   103.939      2.21476  102.772      2.19937  10.194   0.108631  10.1366  0.108487  
1 1 1 14 11 14 o 7.00228  0.071252  49.0358      0.997854 48.2332      1.39821  49.8688      1.42451  6.94447  0.100671  7.06123  0.100869  
1 1 1 14 11 15 o 5.19191  0.070985  26.9579      0.737095 26.6817      1.05878  27.2176      1.02678  5.16503  0.102495  5.21667  0.0984129 
1 1 1 14 11 16 o 11.8539  0.0897273 140.532      2.12724  141.03       3.01065  140.035      3.00609  11.8741  0.126773  11.8322  0.12703   
1 1 1 14 11 17 o 5.8649   0.080685  34.4007      0.946419 34.8665      1.30864  33.8899      1.37036  5.90418  0.110824  5.82084  0.117712  
1 1 1 14 11 18 o 2.75677  0.116934  7.60176      0.644718 7.54816      0.886545 7.66192      0.939278 2.7467   0.161384  2.76725  0.169713  
1 1 1 14 11 19 o 6.36956  0.0801164 40.5767      1.02061  40.9324      1.43014  40.2076      1.45696  6.397    0.111782  6.34006  0.114901  
1 1 1 14 11 20 o 9.88584  0.0936903 97.7495      1.85242  99.3628      2.64367  96.1934      2.59639  9.96607  0.132634  9.80585  0.13239   
1 1 1 14 11 21 o 3.32494  0.129821  11.0602      0.863293 11.3146      1.24584  10.8251      1.19736  3.36219  0.185272  3.2887   0.182042  
1 1 1 14 11 22 o 12.5071  0.112054  156.488      2.80294  157.175      3.98974  155.817      3.93867  12.5321  0.159182  12.4779  0.157826  
1 1 1 14 11 23 o 5.66545  0.103525  32.1109      1.17303  35.1987      1.76522  29.6691      1.56976  5.93024  0.148832  5.44469  0.144155  
1 1 1 14 11 24 o 1.31103  0.354162  1.78765      0.950582 0.821433     1.37924  2.66188      1.31194  1.12107  0.432848  1.59456  0.409333  
1 1 1 14 11 25 o 9.50684  0.100027  90.4351      1.90188  84.6537      2.60317  97.0542      2.7854   9.1951   0.141552  9.84557  0.141455  
1 1 1 14 11 26 o 3.24382  0.145038  10.5392      0.940955 11.0274      1.38378  10.1192      1.28331  3.31522  0.208701  3.1761   0.202027  
1 1 1 14 11 27 o 1.80502  0.242298  3.2778       0.874705 3.62823      1.25107  2.94267      1.22344  1.86396  0.348516  1.67097  0.375294  
1 1 1 14 11 28 o 2.9524   0.156048  8.74236      0.921431 7.82948      1.28656  9.70372      1.32029  2.78913  0.230639  3.10657  0.2125    
1 1 1 14 11 29 o 2.65477  0.172352  7.07851      0.915111 7.8218       1.27266  6.28278      1.31679  2.78602  0.228402  2.49373  0.264021  
1 1 1 14 11 30 o 3.23397  0.138707  10.4945      0.897152 10.8959      1.25923  10.0808      1.27852  3.29009  0.191367  3.16344  0.202077  
1 1 1 14 11 31 o 1.70293  0.249142  2.93751      0.848543 3.00498      1.19164  2.8681       1.20858  1.67914  0.365038  1.63844  0.3765    
1 1 1 14 11 32 o 2.83058  0.170867  8.07147      0.967308 6.96337      1.3571   9.21583      1.37913  2.6167   0.259314  3.01592  0.228641  
1 1 1 14 11 33 o 1.86415  0.235305  3.53318      0.877285 4.47793      1.2411   2.58975      1.24024  2.08849  0.297129  1.54377  0.398931  
1 1 1 14 11 34 o 1.54884  0.317039  2.56899      0.948215 3.65429      1.34127  1.48463      1.34069  1.83434  0.378517  1.23429  0.435198  
1 1 1 14 11 35 o 3.26267  0.154741  10.7457      1.00974  11.5472      1.46949  10.0287      1.38981  3.36658  0.218246  3.13655  0.221551  
1 1 1 14 11 36 o 2.27252  0.213806  5.28191      0.971758 4.42854      1.3629   6.16436      1.38594  2.04913  0.332555  2.43453  0.284642  
1 1 1 14 11 37 o 2.48557  0.214087  6.34095      1.06426  6.37541      1.46321  6.30224      1.55077  2.46302  0.297037  2.44033  0.317738  
1 1 1 14 11 38 o 1.47195  0.355761  2.43071      1.03722  3.6267       1.48258  1.28415      1.45162  1.77132  0.423591  1.17153  0.446239  
1 1 1 14 11 39 o 0.953346 0.375274  0.715567     1.0484   1.74557      1.50333  -0.259656    1.46281  1.26923  0.45949   0.892096 0.398866  
1 1 1 14 11 40 o 1.07283  0.381566  1.21493      1.03262  2.53609      1.46901  -0.0755197   1.45183  1.44569  0.455662  0.906114 0.401711  
1 1 1 14 11 41 o 1.42732  0.359079  2.42156      1.02492  3.25669      1.46195  1.61438      1.43728  1.60008  0.442337  1.18549  0.446141  
1 1 1 14 11 42 o 1.68001  0.302521  3.23975      0.979407 3.5442       1.38681  2.93681      1.38338  1.66506  0.416967  1.49613  0.435878  
1 1 1 14 11 43 o 1.26039  0.386372  2.10473      1.06608  2.79426      1.51018  1.41978      1.50516  1.375    0.463293  1.07695  0.44013   
1 1 1 14 11 44 o 1.19582  0.386706  2.01799      1.05294  3.26913      1.52067  0.865656     1.45939  1.42418  0.464899  0.936938 0.409953  
1 1 1 14 11 45 o 0.754345 0.344693  0.138195     1.17173  -0.0210151   1.68366  0.287732     1.63171  0.818616 0.386636  0.842357 0.393412  
1 1 1 14 11 46 o 1.04679  0.415317  2.24983      1.29346  2.84991      1.77086  1.56355      1.89379  1.05052  0.455582  0.889672 0.417446  
1 1 1 14 11 47 f 0.650017 0.320186  -0.277823    1.45362  -0.0242462   1.93453  -0.606658    2.20298  0.69734  0.347342  0.685824 0.34588   
1 1 1 14 12 0  o 25.0222  0.257401  626.865      12.8784  626.865      12.8784  626.865      12.8784  25.0297  0.181934  ?        ?         
1 1 1 14 12 1  f 10.4984  0.0793612 110.235      1.66633  111.448      2.37934  109.066      2.33439  10.5551  0.11271   10.4417  0.111782  
1 1 1 14 12 2  o 14.992   0.118214  224.844      3.54454  221.674      5.02704  227.978      4.99854  14.883   0.168885  15.0934  0.165587  
1 1 1 14 12 3  o 8.69396  0.0747691 75.5963      1.30008  74.6995      1.81402  76.5434      1.86418  8.6416   0.104959  8.74756  0.106554  
1 1 1 14 12 4  o 4.37858  0.0552183 19.1735      0.483555 18.2826      0.656353 20.2312      0.71512  4.27547  0.076758  4.49752  0.0795017 
1 1 1 14 12 5  o 9.33679  0.0747022 87.1892      1.39496  86.7399      1.99467  87.6192      1.95157  9.31194  0.107103  9.3591   0.104261  
1 1 1 14 12 6  o 8.72711  0.0705819 76.173       1.23195  76.7003      1.73087  75.6317      1.75385  8.75667  0.0988312 8.69541  0.100849  
1 1 1 14 12 7  o 4.45636  0.0534561 19.8606      0.476439 19.1594      0.667696 20.5881      0.680047 4.3768   0.0762767 4.53707  0.0749435 
1 1 1 14 12 8  o 8.60064  0.0732269 73.9813      1.2596   74.473       1.84691  73.5537      1.72228  8.62848  0.107024  8.57522  0.100422  
1 1 1 14 12 9  o 23.0233  0.160787  530.413      7.40369  528.449      10.4297  532.407      10.5116  22.9731  0.226997  23.0589  0.227929  
1 1 1 14 12 10 o 3.63345  0.0656725 13.2033      0.477236 13.1339      0.678615 13.2713      0.671271 3.62368  0.093636  3.6426   0.0921417 
1 1 1 14 12 11 o 9.10579  0.0723193 82.9254      1.31705  85.904       1.9323   80.341       1.79991  9.26726  0.104254  8.96225  0.100416  
1 1 1 14 12 12 o 8.17231  0.0683485 66.7926      1.11713  65.8292      1.56523  67.793       1.59491  8.11278  0.0964668 8.23289  0.0968623 
1 1 1 14 12 13 o 21.7595  0.151214  473.655      6.58069  475.08       9.4359   472.305      9.18229  21.7877  0.216542  21.7244  0.211336  
1 1 1 14 12 14 o 11.103   0.0860558 123.29       1.91095  123.366      2.82778  123.225      2.59252  11.1057  0.127312  11.0996  0.116784  
1 1 1 14 12 15 o 23.8903  0.166019  570.981      7.93248  568.172      11.2965  573.712      11.1416  23.8262  0.23706   23.9425  0.232673  
1 1 1 14 12 16 o 9.88204  0.0808115 97.6643      1.59716  99.5571      2.25915  95.773       2.25831  9.97685  0.11322   9.78537  0.115392  
1 1 1 14 12 17 o 20.5262  0.146243  421.478      6.00362  420.258      8.28086  422.829      8.71671  20.4929  0.202042  20.5548  0.212036  
1 1 1 14 12 18 o 8.42522  0.0771023 70.9929      1.29921  71.4664      1.8714   70.5523      1.80511  8.45273  0.110698  8.39856  0.107465  
1 1 1 14 12 19 o 6.04012  0.0801721 36.4881      0.968498 34.7038      1.3493   38.3843      1.39097  5.89016  0.114539  6.19466  0.112272  
1 1 1 14 12 20 o 7.82963  0.0882284 61.3145      1.38159  61.321       1.95749  61.308       1.95026  7.82931  0.12501   7.82849  0.124562  
1 1 1 14 12 21 o 8.19474  0.0972789 67.1712      1.59435  63.0411      2.15427  72.1731      2.37075  7.93782  0.135697  8.49319  0.139568  
1 1 1 14 12 22 o 2.94967  0.166739  8.70831      0.98365  7.92377      1.4006   9.47191      1.38178  2.81212  0.249029  3.07515  0.224668  
1 1 1 14 12 23 o 12.3887  0.108296  153.556      2.68329  154.786      3.95962  152.512      3.64889  12.4345  0.159219  12.3438  0.147803  
1 1 1 14 12 24 o 2.99887  0.162067  9.00564      0.972034 9.58516      1.41826  8.49228      1.33486  3.09174  0.229363  2.91015  0.229345  
1 1 1 14 12 25 o 2.86463  0.169176  8.22105      0.969254 8.46063      1.3415   7.95938      1.40196  2.90373  0.230996  2.81562  0.248962  
1 1 1 14 12 26 o 4.38596  0.11584   19.2574      1.01614  18.8358      1.48378  19.6297      1.39445  4.33488  0.171144  4.42609  0.157526  
1 1 1 14 12 27 o 5.69368  0.0983227 32.4512      1.11964  32.8841      1.57722  32.0115      1.58966  5.72874  0.137659  5.65198  0.140628  
1 1 1 14 12 28 f 3.80836  0.127112  14.5334      0.968181 13.9821      1.3771   15.0722      1.36147  3.7312   0.184538  3.8747   0.175687  
1 1 1 14 12 29 o 4.20206  0.120225  17.6959      1.01039  18.3674      1.42507  17.0172      1.43277  4.27665  0.166611  4.11566  0.174063  
1 1 1 14 12 30 o 4.68629  0.110238  22.0107      1.03321  21.7216      1.43489  22.322       1.48899  4.65039  0.154276  4.71372  0.157942  
1 1 1 14 12 31 o 4.09437  0.118788  16.8145      0.972721 17.0552      1.36665  16.5673      1.3848   4.11779  0.165945  4.05778  0.170635  
1 1 1 14 12 32 o 3.44552  0.151166  11.9433      1.04169  12.2163      1.47013  11.668       1.47623  3.47482  0.21154   3.39484  0.217423  
1 1 1 14 12 33 o 0.653839 0.297219  -0.480337    0.849675 -0.316186    1.20273  -0.643882    1.20051  0.827807 0.366485  0.777414 0.353366  
1 1 1 14 12 34 o 2.91261  0.172012  8.57362      1.00201  7.17729      1.4029   10.0277      1.43164  2.64557  0.265141  3.13721  0.228171  
1 1 1 14 12 35 f 2.75694  0.177759  7.69631      0.980143 8.384        1.39321  7.02242      1.37916  2.86181  0.243415  2.61386  0.263817  
1 1 1 14 12 36 o 4.24074  0.133636  18.1453      1.13343  16.9263      1.58996  19.4048      1.6162   4.07551  0.195062  4.3678   0.185013  
1 1 1 14 12 37 o 3.46639  0.165021  12.2068      1.14406  9.88155      1.55712  14.9344      1.6865   3.08662  0.252237  3.81035  0.221305  
1 1 1 14 12 38 o 2.95306  0.185365  8.92223      1.09479  5.92994      1.54117  11.9703      1.55546  2.35157  0.327689  3.4004   0.228716  
1 1 1 14 12 39 o 2.26547  0.244715  5.36712      1.10879  5.54171      1.56678  5.19197      1.56935  2.25217  0.347837  2.17279  0.361138  
1 1 1 14 12 40 o 1.55442  0.345613  2.75684      1.0463   1.26194      1.47038  4.2902       1.48917  1.14286  0.445748  1.91163  0.402189  
1 1 1 14 12 41 o 1.05917  0.379504  1.2513       1.02317  -0.47522     1.44751  2.97531      1.44646  0.830465 0.380992  1.52228  0.446415  
1 1 1 14 12 42 o 2.28971  0.227851  5.6312       1.04343  5.27786      1.47686  5.98336      1.4744   2.12143  0.348082  2.28223  0.323018  
1 1 1 14 12 43 o 0.683136 0.316836  -0.425767    1.03515  -0.810386    1.47081  -0.048269    1.45713  0.761055 0.360354  0.842921 0.384843  
1 1 1 14 12 44 o 0.769506 0.34289   0.231721     1.0729   0.177196     1.47623  0.292768     1.56202  0.838551 0.384723  0.865632 0.39656   
1 1 1 14 12 45 o 0.840142 0.367982  0.71284      1.17838  1.16287      1.71406  0.309525     1.62266  0.943424 0.426348  0.839122 0.392064  
1 1 1 14 12 46 o 0.61752  0.302097  -0.863144    1.24828  -0.687166    1.70096  -1.06853     1.83761  0.702174 0.34587   0.696115 0.345587  
1 1 1 14 13 0  o 18.7772  0.1852    352.849      6.95355  352.849      6.95355  352.849      6.95355  18.7807  0.130917  ?        ?         
1 1 1 14 13 1  o 5.08454  0.0481008 25.8542      0.489141 25.7531      0.671079 25.9688      0.714456 5.07445  0.0661233 5.09561  0.070105  
1 1 1 14 13 2  o 10.7717  0.085346  116.052      1.83864  117.321      2.6678   114.905      2.53755  10.8292  0.123176  10.7173  0.118386  
1 1 1 14 13 3  o 9.56538  0.0809672 91.5131      1.54896  91.6879      2.19524  91.3398      2.18592  9.57364  0.11465   9.55546  0.114381  
1 1 1 14 13 4  o 19.6119  0.151554  384.873      5.94451  385.226      8.41127  384.521      8.40235  19.6146  0.214413  19.5967  0.214382  
1 1 1 14 13 5  o 9.52159  0.0805178 90.6771      1.53332  90.3169      2.12658  91.0671      2.21286  9.50186  0.111904  9.54112  0.115964  
1 1 1 14 13 6  f 8.82329  0.0702375 77.8609      1.23945  79.7973      1.766    75.9811      1.73999  8.93175  0.0988611 8.71554  0.0998209 
1 1 1 14 13 7  o 13.8096  0.103715  190.758      2.86451  188.86       4.01048  192.735      4.09283  13.7388  0.145955  13.8789  0.147448  
1 1 1 14 13 8  o 24.46    0.183687  598.8        8.98599  598.615      13.0559  598.967      12.3867  24.4445  0.267053  24.4539  0.253266  
1 1 1 14 13 9  o 3.04978  0.0660919 9.30214      0.403131 9.47266      0.579609 9.14235      0.56107  3.07743  0.0941709 3.02331  0.0927907 
1 1 1 14 13 10 o 11.6855  0.0897475 136.577      2.09749  136.083      2.99178  137.054      2.94146  11.6632  0.128258  11.7048  0.125652  
1 1 1 14 13 11 o 12.1904  0.0897716 148.631      2.18871  149.702      3.14828  147.63       3.0449   12.2331  0.128678  12.1483  0.125323  
1 1 1 14 13 12 f 10.3525  0.0772436 107.185      1.59932  107.376      2.26442  106.996      2.25916  10.3611  0.109275  10.3427  0.109215  
1 1 1 14 13 13 o 15.0842  0.104705  227.572      3.15877  227.453      4.4661   227.691      4.46826  15.0789  0.148091  15.0868  0.148085  
1 1 1 14 13 14 o 14.8655  0.104971  221.019      3.12091  218.503      4.41432  223.533      4.41294  14.7794  0.14934   14.9486  0.147604  
1 1 1 14 13 15 o 3.26126  0.0864049 10.637       0.563577 10.4614      0.806455 10.8046      0.787906 3.23402  0.124683  3.28668  0.119864  
1 1 1 14 13 16 o 7.78435  0.0728751 60.6012      1.13457  60.7924      1.59714  60.4063      1.61201  7.7963   0.102429  7.77149  0.103713  
1 1 1 14 13 17 o 12.2994  0.0947773 151.301      2.33142  151.762      3.26996  150.824      3.32497  12.3172  0.13274   12.279   0.135393  
1 1 1 14 13 18 o 13.2399  0.0998508 175.33       2.64402  175.92       3.7457   174.745      3.73276  13.2607  0.141233  13.2164  0.141217  
1 1 1 14 13 19 o 16.047   0.120907  257.588      3.88038  256.964      5.42179  258.243      5.55605  16.0251  0.169166  16.0646  0.172928  
1 1 1 14 13 20 o 3.27472  0.124988  10.7279      0.818601 11.1754      1.17584  10.3071      1.14033  3.34167  0.175937  3.20921  0.177665  
1 1 1 14 13 21 o 16.4529  0.125766  270.821      4.13842  270.984      5.66371  270.634      6.06175  16.4546  0.172101  16.4429  0.184328  
1 1 1 14 13 22 o 5.48444  0.114787  30.0928      1.25909  31.1149      1.81176  29.138       1.75103  5.57553  0.162475  5.39551  0.162267  
1 1 1 14 13 23 o 12.4679  0.118196  155.547      2.94731  152.634      3.94251  159.236      4.43752  12.3473  0.15965   12.61    0.175953  
1 1 1 14 13 24 o 4.5821   0.116073  21.0113      1.06371  21.2541      1.49235  20.7604      1.51658  4.6069   0.161969  4.55289  0.166551  
1 1 1 14 13 25 o 7.55966  0.0932899 57.1818      1.41048  58.936       2.04009  55.5754      1.95225  7.67238  0.13295   7.45055  0.131014  
1 1 1 14 13 26 f 4.99239  0.104831  24.9476      1.04672  24.7028      1.49649  25.1821      1.4646   4.96532  0.150694  5.01355  0.146064  
1 1 1 14 13 27 o 2.01701  0.212449  4.0884       0.857023 4.00242      1.2097   4.17504      1.21434  1.9906   0.303855  2.03342  0.298595  
1 1 1 14 13 28 o 5.3104   0.106564  28.2431      1.1318   25.9874      1.61602  30.4147      1.58561  5.08923  0.158769  5.50734  0.143955  
1 1 1 14 13 29 o 2.8647   0.156242  8.2381       0.895171 7.51039      1.25929  8.98146      1.27275  2.72896  0.230726  2.98612  0.21311   
1 1 1 14 13 30 o 2.397    0.182004  5.78219      0.87253  5.72067      1.22219  5.84613      1.24604  2.37675  0.257113  2.40241  0.259332  
1 1 1 14 13 31 f 9.02359  0.0966707 81.594       1.74463  83.5859      2.50449  79.7162      2.43169  9.12359  0.137253  8.91011  0.136457  
1 1 1 14 13 32 o 1.80267  0.25997   3.3102       0.93728  3.21176      1.31333  3.41238      1.33804  1.72456  0.389885  1.77886  0.386894  
1 1 1 14 13 33 o 2.03592  0.211114  4.20386      0.859626 3.83506      1.21311  4.57582      1.2183   1.92781  0.314635  2.11097  0.288563  
1 1 1 14 13 34 o 1.13074  0.363249  1.32093      0.930194 2.5149       1.32133  0.147822     1.30973  1.51351  0.421269  0.939463 0.399155  
1 1 1 14 13 35 o 3.94887  0.134743  15.7072      1.06417  16.3419      1.50603  15.0743      1.50389  4.01401  0.187597  3.85296  0.19516   
1 1 1 14 13 36 o 2.57192  0.199681  6.74867      1.02713  7.34812      1.47812  6.18892      1.42832  2.6591   0.277936  2.43515  0.293271  
1 1 1 14 13 37 o 1.8543   0.291389  3.6115       1.08064  3.60693      1.47579  3.61679      1.58677  1.7764   0.421234  1.76666  0.448198  
1 1 1 14 13 38 o 1.16507  0.379813  1.48456      1.01498  2.23914      1.43829  0.736023     1.43252  1.39449  0.452063  1.05207  0.429574  
1 1 1 14 13 39 o 0.792772 0.348405  -0.0797391   1.06366  -0.243007    1.50795  0.0819357    1.50057  0.906537 0.405157  0.951572 0.416032  
1 1 1 14 13 40 o 1.29856  0.377415  1.97061      1.03838  2.16894      1.47029  1.77324      1.46669  1.34494  0.457134  1.25015  0.45373   
1 1 1 14 13 41 o 0.636023 0.299887  -0.868254    1.00485  -1.9113      1.41709  0.186608     1.42509  0.677143 0.32928   0.912718 0.402157  
1 1 1 14 13 42 o 0.898195 0.361177  0.724009     0.993514 0.248023     1.42472  1.17458      1.38616  0.901621 0.399055  1.05393  0.42545   
1 1 1 14 13 43 f 0.721192 0.328551  -0.184083    1.0507   -0.225331    1.53162  -0.147416    1.44408  0.835671 0.386743  0.826177 0.379659  
1 1 1 14 13 44 o 0.963131 0.386271  1.22481      1.13214  1.70913      1.55681  0.681197     1.64936  1.06015  0.441958  0.914648 0.41533   
1 1 1 14 13 45 o 0.848905 0.370039  0.828589     1.1798   1.3832       1.71337  0.328504     1.62696  0.954667 0.42912   0.829546 0.388817  
1 1 1 14 13 46 o 0.629085 0.307902  -0.879061    1.30079  0.498113     1.80794  -2.35709     1.87297  0.80042  0.385062  0.6409   0.322599  
1 1 1 14 14 0  o 37.4711  0.547149  1410.8       40.9849  1410.8       40.9849  1410.8       40.9849  37.5159  0.386338  ?        ?         
1 1 1 14 14 1  o 5.5621   0.070886  30.9542      0.788262 30.9542      0.788262 30.9542      0.788262 5.56288  0.0501078 ?        ?         
1 1 1 14 14 2  o 3.89158  0.0689405 15.1597      0.536196 15.1597      0.536196 15.1597      0.536196 3.89256  0.0487187 ?        ?         
1 1 1 14 14 3  o 5.19683  0.0833985 27.0306      0.866313 27.0306      0.866313 27.0306      0.866313 5.19796  0.0589417 ?        ?         
1 1 1 14 14 4  o 9.68519  0.121008  93.8657      2.34314  93.8657      2.34314  93.8657      2.34314  9.68681  0.0855361 ?        ?         
1 1 1 14 14 5  o 5.66601  0.095215  32.1348      1.07829  32.1348      1.07829  32.1348      1.07829  5.66739  0.0672894 ?        ?         
1 1 1 14 14 6  o 23.7617  0.259186  565.317      12.3141  565.317      12.3141  565.317      12.3141  23.769   0.183192  ?        ?         
1 1 1 14 14 7  o 8.22404  0.108094  67.6798      1.77724  67.6798      1.77724  67.6798      1.77724  8.2254   0.0764063 ?        ?         
1 1 1 14 14 8  o 3.17456  0.0883188 10.1022      0.559765 10.1022      0.559765 10.1022      0.559765 3.17648  0.062358  ?        ?         
1 1 1 14 14 9  o 9.23079  0.100018  85.2476      1.84599  85.2476      1.84599  85.2476      1.84599  9.23187  0.0707055 ?        ?         
1 1 1 14 14 10 f 2.41144  0.127989  5.8651       0.613305 5.8651       0.613305 5.8651       0.613305 2.41667  0.0900086 ?        ?         
1 1 1 14 14 11 o 25.5004  0.241149  650.808      12.2963  650.808      12.2963  650.808      12.2963  25.5056  0.170466  ?        ?         
1 1 1 14 14 12 o 44.9412  0.430989  2023.38      38.7303  2023.38      38.7303  2023.38      38.7303  44.9613  0.304588  ?        ?         
1 1 1 14 14 13 o 6.41332  0.107238  41.1687      1.37464  41.1687      1.37464  41.1687      1.37464  6.4148   0.0757873 ?        ?         
1 1 1 14 14 14 o 11.7042  0.121485  137.047      2.84307  137.047      2.84307  137.047      2.84307  11.7054  0.085883  ?        ?         
1 1 1 14 14 15 o 7.09973  0.100753  50.4404      1.42999  50.4404      1.42999  50.4404      1.42999  7.10093  0.0712148 ?        ?         
1 1 1 14 14 16 o 3.77111  0.12621   14.2708      0.949484 14.2708      0.949484 14.2708      0.949484 3.7744   0.0890514 ?        ?         
1 1 1 14 14 17 o 7.4732   0.110749  55.8922      1.65448  55.8922      1.65448  55.8922      1.65448  7.47465  0.0782765 ?        ?         
1 1 1 14 14 18 o 7.33482  0.111391  53.8438      1.63322  53.8438      1.63322  53.8438      1.63322  7.33633  0.0787289 ?        ?         
1 1 1 14 14 19 f 3.17859  0.174097  10.1975      1.09918  10.1975      1.09918  10.1975      1.09918  3.18605  0.122385  ?        ?         
1 1 1 14 14 20 o 20.1107  0.205664  404.79       8.27015  404.79       8.27015  404.79       8.27015  20.115   0.145378  ?        ?         
1 1 1 14 14 21 f 0.634465 0.414779  -0.0693391   1.25133  -0.0693391   1.25133  -0.0693391   1.25133  0.529863 0.347365  ?        ?         
1 1 1 14 14 22 o 6.17746  0.141967  38.2357      1.7519   38.2357      1.7519   38.2357      1.7519   6.18048  0.100277  ?        ?         
1 1 1 14 14 23 o 10.9756  0.140735  120.579      3.08815  120.579      3.08815  120.579      3.08815  10.9782  0.0994723 ?        ?         
1 1 1 14 14 24 o 0.568327 0.388059  -0.641409    1.30349  -0.641409    1.30349  -0.641409    1.30349  0.451914 0.313765  ?        ?         
1 1 1 14 14 25 o 11.9469  0.147368  142.903      3.51998  142.903      3.51998  142.903      3.51998  11.9505  0.104155  ?        ?         
1 1 1 14 14 26 o 2.11843  0.305292  4.77684      1.21504  4.77684      1.21504  4.77684      1.21504  2.15528  0.203484  ?        ?         
1 1 1 14 14 27 o 3.32625  0.190539  11.1948      1.25805  11.1948      1.25805  11.1948      1.25805  3.33616  0.133812  ?        ?         
1 1 1 14 14 28 o 4.17358  0.171374  17.542       1.42501  17.542       1.42501  17.542       1.42501  4.18099  0.120729  ?        ?         
1 1 1 14 14 29 o 1.32269  0.491945  2.37987      1.20555  2.37987      1.20555  2.37987      1.20555  1.42913  0.344251  ?        ?         
1 1 1 14 14 30 o 0.943117 0.491513  1.33845      1.19577  1.33845      1.19577  1.33845      1.19577  0.957623 0.422985  ?        ?         
1 1 1 14 14 31 o 3.81801  0.178747  14.726       1.3581   14.726       1.3581   14.726       1.3581   3.82781  0.125748  ?        ?         
1 1 1 14 14 32 o 0.610997 0.405478  -0.176159    1.25424  -0.176159    1.25424  -0.176159    1.25424  0.506876 0.337724  ?        ?         
1 1 1 14 14 33 o 3.06725  0.214038  9.61431      1.29833  9.61431      1.29833  9.61431      1.29833  3.08417  0.149638  ?        ?         
1 1 1 14 14 34 o 2.26621  0.3055    5.48986      1.32867  5.48986      1.32867  5.48986      1.32867  2.30686  0.207494  ?        ?         
1 1 1 14 14 35 o 1.0846   0.524212  1.82529      1.31321  1.82529      1.31321  1.82529      1.31321  1.14731  0.433596  ?        ?         
1 1 1 14 14 36 o 1.23366  0.539738  2.30762      1.37673  2.30762      1.37673  2.30762      1.37673  1.34072  0.415701  ?        ?         
1 1 1 14 14 37 o 2.73919  0.277237  7.89777      1.48314  7.89777      1.48314  7.89777      1.48314  2.77582  0.190983  ?        ?         
1 1 1 14 14 38 o 7.11312  0.154766  51.1086      2.19938  51.1086      2.19938  51.1086      2.19938  7.13116  0.1091    ?        ?         
1 1 1 14 14 39 o 0.655037 0.437245  -0.157469    1.50305  -0.157469    1.50305  -0.157469    1.50305  0.55089  0.367713  ?        ?         
1 1 1 14 14 40 o 2.82232  0.272895  8.4691       1.50732  8.4691       1.50732  8.4691       1.50732  2.86767  0.187682  ?        ?         
1 1 1 14 14 41 o 0.573452 0.394718  -0.544498    1.40754  -0.544498    1.40754  -0.544498    1.40754  0.469753 0.326142  ?        ?         
1 1 1 14 14 42 o 0.792505 0.486216  0.961543     1.44937  0.961543     1.44937  0.961543     1.44937  0.761011 0.43473   ?        ?         
1 1 1 14 14 43 o 1.46674  0.554006  3.45911      1.51637  3.45911      1.51637  3.45911      1.51637  1.6786   0.364752  ?        ?         
1 1 1 14 14 44 o 0.55213  0.389888  -0.797594    1.60243  -0.797594    1.60243  -0.797594    1.60243  0.458167 0.324519  ?        ?         
1 1 1 14 14 45 o 0.744571 0.491028  1.1357       1.80161  1.1357       1.80161  1.1357       1.80161  0.736836 0.453967  ?        ?         
1 1 1 14 14 46 o 0.529104 0.381729  -1.04508     1.804    -1.04508     1.804    -1.04508     1.804    0.447089 0.322349  ?        ?         
1 1 1 15 0  0  o 13.0686  0.183245  170.95       4.78739  170.95       4.78739  170.95       4.78739  13.0717  0.129515  ?        ?         
1 1 1 15 0  1  o 27.277   0.266385  744.807      14.5293  744.807      14.5293  744.807      14.5293  27.284   0.188294  ?        ?         
1 1 1 15 0  2  o 31.9265  0.298606  1020.54      19.0631  1020.54      19.0631  1020.54      19.0631  31.9361  0.211062  ?        ?         
1 1 1 15 0  3  o 1.61323  0.0786324 2.62119      0.25233  2.62119      0.25233  2.62119      0.25233  1.61614  0.0553477 ?        ?         
1 1 1 15 0  4  o 27.844   0.261102  776.087      14.5373  776.087      14.5373  776.087      14.5373  27.8511  0.184561  ?        ?         
1 1 1 15 0  5  o 28.5352  0.267961  815.152      15.2896  815.152      15.2896  815.152      15.2896  28.543   0.189406  ?        ?         
1 1 1 15 0  6  o 3.04725  0.0709544 9.30139      0.431902 9.30139      0.431902 9.30139      0.431902 3.04854  0.0501203 ?        ?         
1 1 1 15 0  7  f 6.48365  0.0767633 42.0584      0.995098 42.0584      0.995098 42.0584      0.995098 6.48445  0.0542646 ?        ?         
1 1 1 15 0  8  o 16.5353  0.172843  273.61       5.71459  273.61       5.71459  273.61       5.71459  16.5382  0.122181  ?        ?         
1 1 1 15 0  9  o 7.73455  0.0999471 59.8611      1.54551  59.8611      1.54551  59.8611      1.54551  7.73577  0.0706488 ?        ?         
1 1 1 15 0  10 o 4.9228   0.0772157 24.2538      0.759812 24.2538      0.759812 24.2538      0.759812 4.9238   0.0545734 ?        ?         
1 1 1 15 0  11 o 25.8713  0.298718  670.429      15.4518  670.429      15.4518  670.429      15.4518  25.882   0.211106  ?        ?         
1 1 1 15 0  12 o 13.6476  0.134251  186.355      3.66362  186.355      3.66362  186.355      3.66362  13.6494  0.0949072 ?        ?         
1 1 1 15 0  13 o 3.82718  0.101753  14.6802      0.777606 14.6802      0.777606 14.6802      0.777606 3.82933  0.0718517 ?        ?         
1 1 1 15 0  14 o 12.0853  0.125713  146.13       3.03781  146.13       3.03781  146.13       3.03781  12.0869  0.0888701 ?        ?         
1 1 1 15 0  15 o 15.7189  0.165088  247.233      5.18872  247.233      5.18872  247.233      5.18872  15.7212  0.116703  ?        ?         
1 1 1 15 0  16 o 29.368   0.289762  863.331      17.0157  863.331      17.0157  863.331      17.0157  29.3752  0.20482   ?        ?         
1 1 1 15 0  17 o 27.373   0.259218  749.852      14.1883  749.852      14.1883  749.852      14.1883  27.3782  0.183242  ?        ?         
1 1 1 15 0  18 o 1.57672  0.295248  2.73278      0.834116 2.73278      0.834116 2.73278      0.834116 1.62111  0.187625  ?        ?         
1 1 1 15 0  19 o 16.31    0.162591  266.152      5.30254  266.152      5.30254  266.152      5.30254  16.3121  0.114942  ?        ?         
1 1 1 15 0  20 o 6.7812   0.11014   46.0264      1.49287  46.0264      1.49287  46.0264      1.49287  6.78274  0.0778396 ?        ?         
1 1 1 15 0  21 o 4.20239  0.147216  17.7291      1.23387  17.7291      1.23387  17.7291      1.23387  4.20651  0.103849  ?        ?         
1 1 1 15 0  22 o 3.57856  0.208948  12.943       1.4838   12.943       1.4838   12.943       1.4838   3.58821  0.146759  ?        ?         
1 1 1 15 0  23 o 11.5025  0.162295  132.434      3.7319   132.434      3.7319   132.434      3.7319   11.5052  0.114706  ?        ?         
1 1 1 15 0  24 o 5.65512  0.165659  32.077       1.87001  32.077       1.87001  32.077       1.87001  5.6594   0.116935  ?        ?         
1 1 1 15 0  25 o 6.3965   0.150304  41.0035      1.92044  41.0035      1.92044  41.0035      1.92044  6.39995  0.106157  ?        ?         
1 1 1 15 0  26 o 1.73052  0.504439  3.68059      1.51406  3.68059      1.51406  3.68059      1.51406  1.83841  0.320304  ?        ?         
1 1 1 15 0  27 o 2.28841  0.314102  5.54314      1.37754  5.54314      1.37754  5.54314      1.37754  2.32359  0.213764  ?        ?         
1 1 1 15 0  28 o 6.67462  0.149514  44.6627      1.99364  44.6627      1.99364  44.6627      1.99364  6.67882  0.105596  ?        ?         
1 1 1 15 0  29 o 5.69442  0.148551  32.5329      1.68923  32.5329      1.68923  32.5329      1.68923  5.6991   0.104874  ?        ?         
1 1 1 15 0  30 o 3.33971  0.206984  11.3146      1.37037  11.3146      1.37037  11.3146      1.37037  3.35186  0.145165  ?        ?         
1 1 1 15 0  31 o 1.34878  0.503092  2.48027      1.25886  2.48027      1.25886  2.48027      1.25886  1.4579   0.352484  ?        ?         
1 1 1 15 0  32 o 1.76746  0.408289  3.62038      1.25431  3.62038      1.25431  3.62038      1.25431  1.84837  0.250104  ?        ?         
1 1 1 15 0  33 o 2.52636  0.280199  6.67264      1.37605  6.67264      1.37605  6.67264      1.37605  2.55595  0.192868  ?        ?         
1 1 1 15 0  34 o 1.0774   0.53913   1.78943      1.40642  1.78943      1.40642  1.78943      1.40642  1.12124  0.45486   ?        ?         
1 1 1 15 0  35 o 4.79038  0.182218  23.1822      1.74005  23.1822      1.74005  23.1822      1.74005  4.8026   0.128304  ?        ?         
1 1 1 15 0  36 o 1.25913  0.533676  2.33855      1.35326  2.33855      1.35326  2.33855      1.35326  1.36633  0.403311  ?        ?         
1 1 1 15 0  37 o 0.685459 0.450065  -0.00134863  1.49207  -0.00134863  1.49207  -0.00134863  1.49207  0.581442 0.380418  ?        ?         
1 1 1 15 0  38 o 3.05072  0.246694  9.64614      1.48255  9.64614      1.48255  9.64614      1.48255  3.0788   0.171464  ?        ?         
1 1 1 15 0  39 o 2.499    0.352053  6.83461      1.66043  6.83461      1.66043  6.83461      1.66043  2.56096  0.233706  ?        ?         
1 1 1 15 0  40 o 1.62786  0.525739  3.57696      1.50699  3.57696      1.50699  3.57696      1.50699  1.77534  0.335511  ?        ?         
1 1 1 15 0  41 o 0.697898 0.453245  0.225206     1.46524  0.225206     1.46524  0.225206     1.46524  0.608255 0.390042  ?        ?         
1 1 1 15 0  42 o 1.0084   0.536614  1.78262      1.44851  1.78262      1.44851  1.78262      1.44851  1.06545  0.465545  ?        ?         
1 1 1 15 0  43 o 0.486419 0.347543  -1.38342     1.38141  -1.38342     1.38141  -1.38342     1.38141  0.380374 0.275291  ?        ?         
1 1 1 15 0  44 o 0.706231 0.461689  0.462309     1.55031  0.462309     1.55031  0.462309     1.55031  0.640267 0.406072  ?        ?         
1 1 1 15 0  45 o 1.41754  0.606286  3.77287      1.7433   3.77287      1.7433   3.77287      1.7433   1.68268  0.42409   ?        ?         
1 1 1 15 0  46 o 0.619119 0.434777  -0.430428    1.93573  -0.430428    1.93573  -0.430428    1.93573  0.536456 0.373523  ?        ?         
1 1 1 15 0  47 o 0.825057 0.552459  2.27198      2.44443  2.27198      2.44443  2.27198      2.44443  0.886872 0.537749  ?        ?         
1 1 1 15 1  0  o 10.1625  0.098029  103.317      1.99203  103.317      1.99203  103.317      1.99203  10.1635  0.0693031 ?        ?         
1 1 1 15 1  1  o 19.5983  0.132866  384.24       5.20788  381.205      7.15684  387.656      7.59256  19.5173  0.183346  19.6809  0.192891  
1 1 1 15 1  2  o 14.7052  0.0993784 216.29       2.92276  219.091      4.13937  213.505      4.12748  14.7985  0.139858  14.6086  0.141269  
1 1 1 15 1  3  o 15.1986  0.102749  231.052      3.12329  230.297      4.35624  231.851      4.48037  15.172   0.143562  15.2229  0.147159  
1 1 1 15 1  4  o 30.5147  0.204357  932.04       12.4718  925.289      17.3337  939.287      17.9585  30.39    0.285188  30.6173  0.293273  
1 1 1 15 1  5  o 15.3252  0.104296  234.923      3.19672  233.75       4.45447  236.169      4.59027  15.285   0.145714  15.3637  0.149387  
1 1 1 15 1  6  o 18.961   0.126673  359.661      4.80372  360.684      6.81106  358.649      6.77604  18.9842  0.179387  18.9306  0.17897   
1 1 1 15 1  7  o 12.4793  0.0873436 155.763      2.17997  156.354      3.09386  155.18       3.07215  12.5017  0.123737  12.4547  0.123333  
1 1 1 15 1  8  o 9.99325  0.0795769 99.8814      1.59046  100.477      2.31742  99.3507      2.18677  10.0221  0.115616  9.96593  0.109713  
1 1 1 15 1  9  o 13.1664  0.101395  173.402      2.67003  172.399      3.75756  174.425      3.7947   13.1265  0.143129  13.2034  0.143702  
1 1 1 15 1  10 o 13.6649  0.0993049 186.78       2.71398  185.935      3.86694  187.6        3.80999  13.632   0.141833  13.6931  0.139121  
1 1 1 15 1  11 o 12.2218  0.101968  149.416      2.49248  148.192      3.49674  150.681      3.55374  12.1699  0.143663  12.2716  0.144795  
1 1 1 15 1  12 o 2.01064  0.103065  4.04379      0.414453 4.15209      0.57978  3.93061      0.592684 2.03713  0.142303  1.982    0.149517  
1 1 1 15 1  13 o 16.6501  0.120183  277.326      4.00212  276.624      5.58134  278.068      5.74176  16.6262  0.167848  16.6692  0.172226  
1 1 1 15 1  14 f 18.0245  0.126705  325.005      4.56759  321.661      6.328    328.643      6.59965  17.9283  0.176481  18.1214  0.182096  
1 1 1 15 1  15 o 18.2081  0.131376  331.647      4.7842   332.232      6.85614  331.091      6.6791   18.2208  0.18814   18.1898  0.183594  
1 1 1 15 1  16 o 14.1477  0.104857  200.194      2.96698  198.646      4.16535  201.788      4.22722  14.0917  0.147795  14.2026  0.148818  
1 1 1 15 1  17 o 26.0828  0.174882  680.615      9.12283  683.142      12.9475  678.124      12.8562  26.125   0.247799  26.0289  0.24696   
1 1 1 15 1  18 o 33.2331  0.221417  1105.24      14.7167  1113.48      20.9532  1097.22      20.6748  33.3438  0.314199  33.0997  0.312311  
1 1 1 15 1  19 o 11.8091  0.0906504 139.474      2.141    141.83       3.03705  137.145      3.01869  11.9076  0.127525  11.7093  0.128902  
1 1 1 15 1  20 o 4.45301  0.0887656 19.8324      0.790548 19.6873      1.10749  19.9832      1.12883  4.43635  0.12482   4.46955  0.12628   
1 1 1 15 1  21 o 18.2964  0.131055  334.88       4.79568  335.36       6.78808  334.402      6.77616  18.3061  0.185405  18.2799  0.185345  
1 1 1 15 1  22 o 28.9589  0.225177  839.632      13.0417  835.024      18.3447  844.341      18.5445  28.8617  0.317804  29.0219  0.319492  
1 1 1 15 1  23 o 14.654   0.119254  214.825      3.49511  215.663      5.01803  214.036      4.87091  14.6794  0.170921  14.6242  0.166535  
1 1 1 15 1  24 o 18.0127  0.151454  324.709      5.45618  329.736      7.71343  319.674      7.71899  18.1447  0.212553  17.8652  0.216034  
1 1 1 15 1  25 o 12.0633  0.107158  145.599      2.58536  142.973      3.5911   148.424      3.72507  11.9509  0.150244  12.1764  0.152963  
1 1 1 15 1  26 o 6.67937  0.106654  44.6426      1.42476  44.5248      2.03124  44.7567      1.99897  6.66834  0.152305  6.68584  0.149493  
1 1 1 15 1  27 o 6.41491  0.0985702 41.179       1.26464  41.572       1.80709  40.8018      1.77041  6.44315  0.140234  6.38329  0.138675  
1 1 1 15 1  28 o 8.65828  0.100881  75.0372      1.74692  74.3534      2.45158  75.7425      2.48989  8.6147   0.14229   8.6947   0.143184  
1 1 1 15 1  29 o 2.57475  0.189362  6.65658      0.975123 7.68792      1.38762  5.6504       1.3706   2.7627   0.251136  2.36566  0.289687  
1 1 1 15 1  30 f 3.45697  0.141747  11.9848      0.980027 11.1875      1.37677  12.8038      1.39535  3.33463  0.206436  3.5685   0.195509  
1 1 1 15 1  31 o 1.50559  0.305435  2.38373      0.887671 2.94943      1.27221  1.84705      1.23916  1.6634   0.388972  1.33991  0.41774   
1 1 1 15 1  32 o 1.87209  0.239663  3.5461       0.897342 3.67437      1.28314  3.42332      1.25538  1.86383  0.356953  1.79617  0.362161  
1 1 1 15 1  33 o 1.92421  0.252954  3.76135      0.973473 3.142        1.38767  4.36149      1.36598  1.7044   0.411215  2.0606   0.331454  
1 1 1 15 1  34 o 5.40769  0.115415  29.3598      1.24826  30.7348      1.79241  28.065       1.7394   5.52224  0.16229   5.27629  0.164832  
1 1 1 15 1  35 o 2.79087  0.188505  7.88902      1.05219  7.38189      1.53725  8.33601      1.44323  2.67718  0.287101  2.85427  0.25282   
1 1 1 15 1  36 o 0.827362 0.346911  0.179912     0.967932 1.12968      1.39421  -0.703799    1.34485  1.15665  0.438271  0.818233 0.372477  
1 1 1 15 1  37 o 1.50274  0.359836  2.49242      1.06879  1.94372      1.52889  3.01684      1.49468  1.35341  0.46593   1.62962  0.445839  
1 1 1 15 1  38 o 1.85519  0.270594  3.58747      1.00401  2.73838      1.42023  4.43572      1.41954  1.54489  0.438956  2.00364  0.367991  
1 1 1 15 1  39 o 0.827572 0.357227  0.0550299    1.07921  1.96281      1.54873  -1.74575     1.50467  1.3351   0.468042  0.744341 0.356424  
1 1 1 15 1  40 o 1.41808  0.36193   2.29121      1.03009  0.684132     1.46652  3.85628      1.44722  1.04394  0.431677  1.8229   0.407314  
1 1 1 15 1  41 o 1.34532  0.373772  2.10292      1.04111  1.83069      1.47325  2.37448      1.47144  1.26994  0.455352  1.40334  0.457312  
1 1 1 15 1  42 o 0.604279 0.290667  -1.24105     1.02939  -1.31357     1.45974  -1.16931     1.45185  0.743322 0.354763  0.754897 0.357716  
1 1 1 15 1  43 o 0.875536 0.357995  0.611931     0.996308 0.522328     1.38567  0.70783      1.43353  0.939307 0.405112  0.978988 0.416819  
1 1 1 15 1  44 o 1.18277  0.394972  1.87407      1.09762  3.35958      1.6213   0.617127     1.49136  1.48655  0.479769  0.93923  0.41266   
1 1 1 15 1  45 o 0.797519 0.362315  0.188522     1.25844  -0.114538    1.77427  0.495329     1.7852   0.848893 0.399738  0.911627 0.420226  
1 1 1 15 1  46 o 0.793503 0.36319   0.331816     1.30692  -0.465905    1.84928  1.12778      1.84724  0.791692 0.382767  0.934896 0.429527  
1 1 1 15 1  47 o 0.969604 0.438269  2.2513       1.81219  0.784851     2.64036  3.5573       2.49173  0.848436 0.419721  1.0262   0.481027  
1 1 1 15 2  0  o 14.6463  0.138656  214.617      4.06078  214.617      4.06078  214.617      4.06078  14.648   0.0980233 ?        ?         
1 1 1 15 2  1  o 4.08814  0.0391017 16.7135      0.319706 16.1937      0.428753 17.3644      0.479809 4.02401  0.0532743 4.1669   0.0575738 
1 1 1 15 2  2  o 33.3889  0.222999  1116.06      14.8914  1118.23      20.8786  1113.82      21.2454  33.403   0.312526  33.3355  0.31866   
1 1 1 15 2  3  o 46.9081  0.323945  2205.63      30.3913  2192.19      40.9054  2222.19      45.4055  46.7178  0.437792  47.014   0.482894  
1 1 1 15 2  4  o 14.7636  0.102704  218.018      3.03258  216.022      4.20615  220.18       4.37633  14.6941  0.143123  14.8347  0.147504  
1 1 1 15 2  5  o 6.32657  0.0496909 40.0278      0.628746 39.7984      0.884929 40.2618      0.893496 6.30822  0.070141  6.34484  0.0704112 
1 1 1 15 2  6  o 8.52664  0.0623865 72.7106      1.06389  72.8298      1.52552  72.5976      1.48447  8.5332   0.0893874 8.51962  0.0871205 
1 1 1 15 2  7  o 6.2807   0.0547432 39.4502      0.687651 39.2981      0.969357 39.6042      0.975646 6.26834  0.0773216 6.29271  0.0775219 
1 1 1 15 2  8  o 1.37092  0.113209  1.88006      0.310401 2.32515      0.441468 1.44489      0.436519 1.52443  0.144798  1.20152  0.181653  
1 1 1 15 2  9  o 10.2256  0.0788449 104.58       1.61247  104.051      2.2961   105.094      2.26496  10.1988  0.112568  10.2499  0.110487  
1 1 1 15 2  10 o 16.6195  0.12487   276.327      4.15056  272.761      5.87402  279.884      5.86554  16.5082  0.177912  16.7226  0.175378  
1 1 1 15 2  11 o 15.9685  0.120785  255.094      3.85751  253.775      5.36275  256.508      5.55289  15.9241  0.168384  16.0093  0.173428  
1 1 1 15 2  12 o 5.46258  0.0601239 29.8426      0.656863 29.6022      0.909395 30.1047      0.949812 5.4403   0.0835795 5.48625  0.086563  
1 1 1 15 2  13 o 10.65    0.0821957 113.44       1.75076  114.908      2.49909  112.025      2.45344  10.7177  0.116587  10.5824  0.11592   
1 1 1 15 2  14 o 9.07627  0.0750433 82.3895      1.36223  81.3788      1.90495  83.4472      1.94876  9.01984  0.105598  9.13372  0.106679  
1 1 1 15 2  15 o 1.11878  0.23847   1.30183      0.517777 2.00564      0.728131 0.581892     0.736433 1.39159  0.271299  0.867075 0.320721  
1 1 1 15 2  16 o 15.043   0.107768  226.332      3.2423   227.036      4.59378  225.633      4.57687  15.0649  0.152466  15.0183  0.152377  
1 1 1 15 2  17 o 20.0162  0.136637  400.76       5.46992  399.697      7.71576  401.834      7.75567  19.9868  0.193021  20.0402  0.193503  
1 1 1 15 2  18 o 17.6284  0.121885  310.828      4.29727  307.91       6.02629  313.847      6.12955  17.5434  0.171754  17.7117  0.173037  
1 1 1 15 2  19 o 5.97038  0.0757878 35.6488      0.904963 35.4349      1.28012  35.8626      1.2795   5.95213  0.107535  5.98795  0.10684   
1 1 1 15 2  20 o 3.39348  0.108375  11.5185      0.735536 10.8315      1.03185  12.2281      1.04877  3.29031  0.156801  3.49608  0.149993  
1 1 1 15 2  21 o 20.8813  0.14541   436.228      6.07271  436.534      8.50892  435.911      8.66955  20.884   0.203719  20.8687  0.207716  
1 1 1 15 2  22 o 12.3483  0.117566  152.533      2.9035   152.356      4.03884  152.722      4.17697  12.3392  0.163659  12.3537  0.169057  
1 1 1 15 2  23 o 6.48502  0.0957474 42.0665      1.24185  45.2662      1.85908  39.4883      1.66877  6.72617  0.138197  6.28238  0.132813  
1 1 1 15 2  24 o 22.7884  0.177065  519.882      8.07005  521.905      12.1203  518.271      10.8162  22.8169  0.2656    22.7429  0.237794  
1 1 1 15 2  25 o 11.5785  0.106587  134.132      2.46824  135.215      3.57629  133.146      3.41081  11.6217  0.153862  11.533   0.147872  
1 1 1 15 2  26 o 6.23522  0.107481  38.9039      1.34034  40.8181      1.96614  37.2419      1.832    6.38455  0.153977  6.09865  0.150197  
1 1 1 15 2  27 o 7.81257  0.0967279 61.0771      1.51139  59.7008      2.11534  62.5124      2.16021  7.72138  0.136979  7.90112  0.136703  
1 1 1 15 2  28 o 4.14076  0.134249  17.1759      1.11179  19.9274      1.63814  14.8261      1.51382  4.45676  0.183782  3.84329  0.196943  
1 1 1 15 2  29 o 5.39322  0.105633  29.1248      1.13941  30.2073      1.63128  28.0937      1.59216  5.48899  0.148596  5.29331  0.150393  
1 1 1 15 2  30 o 6.83284  0.0974115 46.7516      1.33119  47.0389      1.87584  46.4602      1.88941  6.84917  0.136939  6.80666  0.138792  
1 1 1 15 2  31 o 2.35389  0.191887  5.57681      0.903361 6.77503      1.27337  4.36275      1.28176  2.58903  0.245916  2.07119  0.309426  
1 1 1 15 2  32 o 3.7251   0.132974  13.9273      0.99068  14.823       1.40968  13.0533      1.39255  3.83672  0.183708  3.59907  0.193459  
1 1 1 15 2  33 o 2.80061  0.178559  7.90672      1.00015  7.86962      1.42131  7.94311      1.40765  2.78249  0.255402  2.7961   0.251716  
1 1 1 15 2  34 o 3.96661  0.137966  15.8248      1.09452  14.887       1.53968  16.7829      1.55621  3.83502  0.20074   4.07424  0.190982  
1 1 1 15 2  35 o 0.609453 0.290248  -1.16492     0.966549 -1.97962     1.39656  -0.415925    1.33907  0.699768 0.337077  0.858104 0.382699  
1 1 1 15 2  36 o 2.4416   0.20673   6.06245      1.0095   5.5946       1.44698  6.50612      1.40908  2.32089  0.311731  2.51173  0.280499  
1 1 1 15 2  37 o 1.36711  0.378819  2.06829      1.07081  3.16051      1.51665  0.982651     1.51208  1.66658  0.44607   1.13832  0.44986   
1 1 1 15 2  38 o 0.895528 0.362247  0.471418     1.00779  -1.52436     1.36464  2.8657       1.49469  0.721034 0.34386   1.57559  0.451158  
1 1 1 15 2  39 o 1.56002  0.358382  2.7336       1.0953   1.75766      1.53996  3.73275      1.55817  1.28672  0.465131  1.78734  0.438585  
1 1 1 15 2  40 o 1.19921  0.385387  1.60785      1.04696  0.95056      1.50612  2.22245      1.45638  1.10115  0.443904  1.38132  0.454966  
1 1 1 15 2  41 o 1.04138  0.380188  1.10854      1.03109  1.53933      1.47554  0.697434     1.44141  1.20156  0.45207   1.027    0.426517  
1 1 1 15 2  42 o 0.910473 0.368578  0.660559     1.04446  -0.515746    1.43698  1.97805      1.52077  0.821406 0.377995  1.26514  0.46174   
1 1 1 15 2  43 o 1.14048  0.383548  1.60467      1.03504  0.646344     1.43451  2.64537      1.49489  0.966691 0.414435  1.39014  0.460942  
1 1 1 15 2  44 o 0.736621 0.335583  -0.170177    1.09622  -0.418507    1.54647  0.0806242    1.55415  0.817238 0.382192  0.876512 0.399383  
1 1 1 15 2  45 o 0.899337 0.384244  0.878605     1.22575  1.25677      1.73291  0.499946     1.73403  0.994542 0.440153  0.902606 0.415306  
1 1 1 15 2  46 f 0.710116 0.338968  -0.389055    1.33399  -0.951909    1.93111  0.124687     1.84494  0.763576 0.374062  0.830835 0.397078  
1 1 1 15 2  47 o 0.601752 0.302847  -2.43968     1.64868  -2.75543     2.23171  -2.06031     2.44621  0.673925 0.340697  0.721018 0.363637  
1 1 1 15 3  0  o 18.074   0.170315  326.864      6.15533  326.864      6.15533  326.864      6.15533  18.0767  0.120401  ?        ?         
1 1 1 15 3  1  o 14.0608  0.0952367 197.746      2.6782   196.481      3.72934  199.092      3.84857  14.0143  0.133055  14.107   0.136406  
1 1 1 15 3  2  o 24.4332  0.16357   597.348      7.99311  593.269      11.1133  601.72       11.5048  24.3425  0.228269  24.5144  0.234655  
1 1 1 15 3  3  o 22.3348  0.148311  499.097      6.62498  488.968      9.18817  510.066      9.56122  22.1014  0.207864  22.5728  0.211787  
1 1 1 15 3  4  o 30.6314  0.204935  939.219      12.5549  929.951      17.4073  949.267      18.1251  30.4653  0.285691  30.7782  0.294446  
1 1 1 15 3  5  o 8.46368  0.0644373 71.6411      1.09075  70.8464      1.48084  72.5835      1.6127   8.41623  0.0879754 8.51866  0.0946566 
1 1 1 15 3  6  o 6.97882  0.0566118 48.7078      0.790166 48.1773      1.07302  49.3361      1.16793  6.94047  0.077302  7.02336  0.0831458 
1 1 1 15 3  7  o 3.23134  0.0548493 10.4424      0.354474 11.328       0.500599 9.55176      0.502007 3.36547  0.0743727 3.09033  0.0812223 
1 1 1 15 3  8  o 16.8783  0.121581  284.989      4.10417  283.08       5.76839  286.946      5.84064  16.8184  0.17149   16.9328  0.172465  
1 1 1 15 3  9  o 7.35226  0.0629901 54.0616      0.926239 53.3002      1.28226  54.8923      1.33941  7.29994  0.0878268 7.40811  0.0904015 
1 1 1 15 3  10 o 9.81681  0.0794401 96.3868      1.5597   96.6148      2.23388  96.1699      2.17865  9.82751  0.113654  9.80494  0.111099  
1 1 1 15 3  11 o 3.45284  0.0701142 11.9237      0.484186 11.4822      0.683451 12.3685      0.68604  3.38808  0.100861  3.51643  0.0975478 
1 1 1 15 3  12 o 3.07693  0.0747001 9.46884      0.459694 9.87036      0.652865 9.07403      0.64738  3.14128  0.103917  3.01187  0.107471  
1 1 1 15 3  13 o 10.0935  0.0781569 101.893      1.57775  100.062      2.17135  103.94       2.29644  10.0017  0.108549  10.1935  0.112642  
1 1 1 15 3  14 o 3.76799  0.077128  14.1996      0.581235 14.6008      0.839972 13.8311      0.805116 3.82057  0.109927  3.71852  0.108258  
1 1 1 15 3  15 o 8.33315  0.0742904 69.4483      1.23815  71.6934      1.76552  67.2755      1.73684  8.46635  0.104267  8.20132  0.105888  
1 1 1 15 3  16 o 8.45139  0.0747621 71.4321      1.26369  71.7816      1.7615   71.0615      1.8139   8.47169  0.103964  8.42904  0.107598  
1 1 1 15 3  17 o 17.0481  0.118202  290.696      4.03022  289.101      5.67504  292.319      5.72447  16.9994  0.166919  17.0937  0.167443  
1 1 1 15 3  18 o 8.90982  0.0792626 79.3923      1.41243  81.6359      2.05808  77.3948      1.94193  9.03436  0.113903  8.79661  0.11038   
1 1 1 15 3  19 o 9.74111  0.0814071 94.9         1.58599  95.4413      2.2324   94.3484      2.25361  9.76829  0.114268  9.71217  0.11602   
1 1 1 15 3  20 o 20.3726  0.141916  415.214      5.78242  419.611      8.16222  410.783      8.19301  20.4761  0.199311  20.2593  0.202204  
1 1 1 15 3  21 o 2.92425  0.142745  8.55501      0.834843 8.78681      1.17137  8.31573      1.19015  2.96299  0.197667  2.88236  0.206454  
1 1 1 15 3  22 o 8.25603  0.095229  68.1774      1.57243  67.9017      2.23608  68.4472      2.21161  8.23834  0.135712  8.27143  0.13369   
1 1 1 15 3  23 o 3.73642  0.140879  13.9689      1.05276  11.6673      1.54422  15.9675      1.439    3.41318  0.226215  3.99403  0.180144  
1 1 1 15 3  24 o 1.77448  0.288009  3.15832      1.02214  3.33148      1.51664  3.01422      1.38355  1.7836   0.429633  1.69703  0.411337  
1 1 1 15 3  25 o 14.0919  0.117105  198.713      3.30047  199.123      4.78412  198.34       4.55914  14.1013  0.169633  14.0745  0.161965  
1 1 1 15 3  26 o 9.64575  0.101686  93.0972      1.96167  93.0367      2.87131  93.1502      2.68636  9.63923  0.148939  9.6459   0.139249  
1 1 1 15 3  27 o 1.21568  0.369122  1.50084      0.976124 -0.322656    1.40258  3.21363      1.35933  0.915327 0.401185  1.74816  0.397646  
1 1 1 15 3  28 o 7.84406  0.0981745 61.589       1.54017  61.193       2.16012  61.9985      2.1966   7.81513  0.138201  7.86625  0.139622  
1 1 1 15 3  29 f 3.21308  0.15116   10.3522      0.971379 10.0045      1.38971  10.6844      1.3583   3.15377  0.220325  3.26019  0.208317  
1 1 1 15 3  30 o 3.45944  0.138775  12.0015      0.960164 12.296       1.36023  11.7091      1.35553  3.49679  0.194497  3.41191  0.198647  
1 1 1 15 3  31 o 4.0883   0.120723  16.758       0.987103 15.9901      1.38837  17.543       1.40371  3.98786  0.174074  4.17781  0.167996  
1 1 1 15 3  32 o 1.1119   0.352809  1.25384      0.879485 0.100439     1.22501  2.48074      1.26344  0.914001 0.387076  1.52217  0.407006  
1 1 1 15 3  33 o 1.98278  0.244864  3.99246      0.971021 3.63789      1.38544  4.3348       1.36134  1.83937  0.388629  2.05315  0.331523  
1 1 1 15 3  34 o 5.12193  0.116448  26.3436      1.19287  26.8276      1.65495  25.8202      1.72093  5.15911  0.160391  5.05884  0.170092  
1 1 1 15 3  35 o 0.917758 0.361795  0.549516     0.975764 0.566673     1.39713  0.533177     1.36337  1.04298  0.424777  1.02735  0.419211  
1 1 1 15 3  36 o 2.36405  0.215711  5.69231      1.0199   5.23721      1.477    6.10709      1.41005  2.24031  0.329641  2.43068  0.290053  
1 1 1 15 3  37 o 2.91694  0.189711  8.66276      1.10675  8.43092      1.51956  8.92469      1.61517  2.85324  0.266288  2.93208  0.275431  
1 1 1 15 3  38 o 0.844645 0.354551  0.233677     1.01291  0.0118425    1.43218  0.455691     1.43276  0.936596 0.407988  1.01106  0.422898  
1 1 1 15 3  39 o 1.30765  0.385573  1.9326       1.07621  0.209021     1.53385  3.60385      1.51039  0.986886 0.425935  1.7572   0.43219   
1 1 1 15 3  40 o 2.22563  0.24318   5.17834      1.08246  5.13813      1.56673  5.21506      1.49729  2.12728  0.382134  2.18728  0.342272  
1 1 1 15 3  41 o 1.4283   0.373165  2.38633      1.07765  2.95539      1.53388  1.83166      1.51437  1.54431  0.461478  1.26739  0.460942  
1 1 1 15 3  42 o 1.05233  0.381067  1.23102      1.03402  1.19465      1.50139  1.26384      1.42616  1.09827  0.443014  1.10289  0.436566  
1 1 1 15 3  43 o 1.20952  0.386679  1.84535      1.055    1.52028      1.47294  2.1878       1.51181  1.12959  0.444763  1.27526  0.460871  
1 1 1 15 3  44 o 0.671755 0.315427  -0.629077    1.08843  -0.630537    1.51375  -0.627514    1.56613  0.786921 0.370167  0.799104 0.376079  
1 1 1 15 3  45 o 1.05715  0.410638  1.67007      1.24523  2.16812      1.77203  1.18421      1.75022  1.1227   0.469999  0.981202 0.437564  
1 1 1 15 3  46 o 0.934912 0.398876  1.3736       1.31756  1.62406      1.85908  1.12084      1.86757  0.966747 0.439508  0.913043 0.424275  
1 1 1 15 3  47 o 1.03525  0.450407  2.65733      1.74138  3.48455      2.42951  1.78332      2.49727  1.03197  0.481222  0.904059 0.438837  
1 1 1 15 4  0  o 1.03908  0.130746  1.1303       0.262031 1.1303       0.262031 1.1303       0.262031 1.05181  0.089573  ?        ?         
1 1 1 15 4  1  o 17.9099  0.119214  320.87       4.27024  320.552      6.03268  321.19       6.0454   17.898   0.168529  17.9158  0.168717  
1 1 1 15 4  2  o 13.3927  0.0911074 179.4        2.44035  180.191      3.42762  178.586      3.47523  13.421   0.127696  13.3609  0.130052  
1 1 1 15 4  3  o 2.95407  0.0419081 8.72689      0.247599 8.0537       0.333208 9.55691      0.369989 2.83779  0.058709  3.09129  0.0598437 
1 1 1 15 4  4  f 12.5261  0.085129  156.931      2.13267  158.841      3.05022  155.104      2.98301  12.601   0.121031  12.4519  0.119781  
1 1 1 15 4  5  o 17.5431  0.117454  307.864      4.12102  309.484      5.86118  306.281      5.79539  17.5861  0.166643  17.4949  0.165631  
1 1 1 15 4  6  o 12.7379  0.0929497 162.289      2.36797  164.17       3.38272  160.482      3.3159   12.8101  0.132034  12.6654  0.130904  
1 1 1 15 4  7  o 15.2972  0.117688  234.089      3.60059  230.906      4.96089  237.633      5.23409  15.1903  0.163291  15.4095  0.169833  
1 1 1 15 4  8  o 4.97967  0.053407  24.799       0.531899 25.8361      0.760326 23.805       0.744365 5.08255  0.0747978 4.87866  0.0762879 
1 1 1 15 4  9  o 12.1576  0.0925777 147.841      2.25104  149.225      3.20925  146.501      3.15826  12.2129  0.131388  12.1009  0.130497  
1 1 1 15 4  10 o 5.89976  0.0599296 34.8107      0.707141 35.563       0.996862 34.0487      1.00327  5.96288  0.0835889 5.83452  0.0859767 
1 1 1 15 4  11 o 3.53541  0.0686585 12.5007      0.485472 12.9182      0.683162 12.0747      0.690011 3.59376  0.0950484 3.47442  0.0992988 
1 1 1 15 4  12 o 14.643   0.102209  214.473      2.99328  216.771      4.2246   212.157      4.24174  14.7193  0.143505  14.5617  0.145647  
1 1 1 15 4  13 o 19.7088  0.13753   388.61       5.42111  388.967      7.75642  388.269      7.57984  19.7131  0.196733  19.6958  0.192423  
1 1 1 15 4  14 f 4.22925  0.0750142 17.8887      0.634507 17.5702      0.906626 18.1944      0.888312 4.19116  0.108159  4.26499  0.10414   
1 1 1 15 4  15 o 4.62989  0.0700559 21.4377      0.648702 20.5602      0.892339 22.4212      0.944705 4.53395  0.0984062 4.73468  0.0997643 
1 1 1 15 4  16 o 13.9585  0.103827  194.87       2.89854  193.777      4.0769   195.987      4.12178  13.9181  0.14646   13.9973  0.147235  
1 1 1 15 4  17 o 28.7302  0.194184  825.884      11.1579  827.394      15.6343  824.317      15.929   28.7484  0.271916  28.6942  0.277565  
1 1 1 15 4  18 o 27.4883  0.184389  755.991      10.1371  749.441      14.2194  762.76       14.4556  27.3617  0.259841  27.6035  0.261843  
1 1 1 15 4  19 o 19.7773  0.137139  391.273      5.4245   395.854      7.6698   386.689      7.673    19.8894  0.192811  19.6576  0.195166  
1 1 1 15 4  20 o 5.35706  0.0846687 28.7024      0.907151 28.902       1.25384  28.483       1.31409  5.3753   0.11663   5.33611  0.123132  
1 1 1 15 4  21 f 18.3454  0.137689  336.692      5.05189  338.069      7.16678  335.333      7.12233  18.3789  0.194973  18.3044  0.194552  
1 1 1 15 4  22 o 18.7953  0.140169  353.439      5.26903  351.567      7.35415  355.413      7.55291  18.7408  0.196207  18.8427  0.20042   
1 1 1 15 4  23 o 6.93602  0.102485  48.1235      1.42167  49.2359      2.05319  47.0991      1.97046  7.01457  0.146352  6.86075  0.143604  
1 1 1 15 4  24 o 6.63944  0.0986346 44.0984      1.30976  46.68        1.96783  42.0452      1.75495  6.82956  0.144067  6.48195  0.135372  
1 1 1 15 4  25 o 2.05543  0.247714  4.23754      1.01831  3.13221      1.45818  5.28974      1.4227   1.7279   0.424451  2.29451  0.310024  
1 1 1 15 4  26 o 4.06338  0.132182  16.5285      1.07421  16.258       1.56213  16.7712      1.47956  4.02751  0.193933  4.09119  0.180823  
1 1 1 15 4  27 o 8.11245  0.100058  65.8619      1.62342  65.6881      2.4161   66.0049      2.19197  8.09789  0.149181  8.11865  0.134996  
1 1 1 15 4  28 o 7.60272  0.0986537 57.8596      1.50007  58.388       2.11687  57.3266      2.126    7.63367  0.138653  7.56376  0.140539  
1 1 1 15 4  29 o 2.6135   0.180492  6.85783      0.94343  7.72394      1.38129  6.10049      1.29164  2.76856  0.249461  2.45945  0.262587  
1 1 1 15 4  30 o 3.95395  0.125139  15.6703      0.98959  14.8676      1.38853  16.4989      1.41072  3.84641  0.180497  4.05263  0.17405   
1 1 1 15 4  31 o 1.14689  0.34631   1.3569       0.860793 2.21378      1.22131  0.51105      1.21342  1.44509  0.405922  0.994348 0.399438  
1 1 1 15 4  32 o 4.09565  0.1222    16.8278      1.00097  17.3992      1.42159  16.2658      1.40967  4.1584   0.17093   4.02004  0.17533   
1 1 1 15 4  33 o 1.73386  0.278407  3.06818      0.965434 2.35657      1.36922  3.77176      1.36148  1.48239  0.43421   1.87715  0.375913  
1 1 1 15 4  34 o 1.39689  0.336774  2.09822      0.931263 1.64039      1.29862  2.58292      1.33619  1.27442  0.429619  1.53884  0.421777  
1 1 1 15 4  35 o 1.23987  0.375963  1.6358       1.01309  1.23114      1.43153  2.04182      1.43393  1.19075  0.445814  1.3881   0.451446  
1 1 1 15 4  36 o 1.65503  0.305958  2.92286      0.974635 2.15917      1.38656  3.6687       1.37027  1.4102   0.442337  1.8303   0.386334  
1 1 1 15 4  37 o 2.59354  0.205717  6.87062      1.06707  7.97273      1.49435  5.72399      1.52423  2.77312  0.269435  2.33024  0.327054  
1 1 1 15 4  38 o 1.24879  0.384643  1.72025      1.05486  1.40462      1.51719  2.0156       1.46764  1.21606  0.458233  1.35292  0.456722  
1 1 1 15 4  39 o 2.53943  0.214404  6.65676      1.08893  7.06524      1.57187  6.27983      1.50994  2.57531  0.30518   2.42492  0.311339  
1 1 1 15 4  40 o 1.8764   0.291686  3.7518       1.09464  3.72353      1.5508   3.77987      1.54533  1.77032  0.439484  1.78607  0.435848  
1 1 1 15 4  41 o 1.33379  0.383622  2.09712      1.07832  2.2276       1.57372  1.98165      1.4805   1.35678  0.472168  1.29642  0.457304  
1 1 1 15 4  42 o 0.776394 0.339507  0.0718357    0.999696 -0.281331    1.4172   0.421618     1.41039  0.843908 0.383682  0.944666 0.408082  
1 1 1 15 4  43 o 0.855424 0.35843   0.505493     1.03209  0.720247     1.51384  0.318979     1.4108   0.986285 0.42438   0.905993 0.399542  
1 1 1 15 4  44 o 0.82904  0.358678  0.409736     1.09271  0.830175     1.51588  -0.0450378   1.57656  0.970255 0.421152  0.862887 0.396597  
1 1 1 15 4  45 o 0.671503 0.320863  -0.69896     1.20308  0.222747     1.70469  -1.61361     1.69815  0.862042 0.402414  0.709984 0.348731  
1 1 1 15 4  46 o 0.726218 0.345675  -0.144809    1.36936  0.791972     1.86042  -1.25238     2.02291  0.867876 0.408867  0.740856 0.366714  
1 1 1 15 4  47 o 0.854965 0.395823  1.21344      1.60635  0.658135     2.10989  1.97917      2.4776   0.821153 0.399927  0.90652  0.439115  
1 1 1 15 5  0  o 18.3727  0.173127  337.765      6.36034  337.765      6.36034  337.765      6.36034  18.3755  0.122388  ?        ?         
1 1 1 15 5  1  o 17.1621  0.115667  294.632      3.9702   291.057      5.61084  298.218      5.61859  17.0549  0.164494  17.2635  0.16273   
1 1 1 15 5  2  o 15.6121  0.107921  243.805      3.36973  243.073      4.80785  244.511      4.72429  15.5863  0.154233  15.6326  0.151104  
1 1 1 15 5  3  o 10.7064  0.0751314 114.642      1.60877  113.945      2.26354  115.354      2.28694  10.6731  0.10604   10.7388  0.10648   
1 1 1 15 5  4  o 17.2525  0.117925  297.75       4.06899  295.825      5.72394  299.716      5.7854   17.1937  0.166455  17.3063  0.167147  
1 1 1 15 5  5  o 18.2838  0.127736  334.433      4.671    337.274      6.66659  331.693      6.54663  18.3574  0.181578  18.205   0.179803  
1 1 1 15 5  6  f 11.3302  0.0837328 128.396      1.89741  132.144      2.75219  125.001      2.61942  11.4932  0.119731  11.1784  0.117165  
1 1 1 15 5  7  f 3.1793   0.0550582 10.1088      0.350093 10.8669      0.506334 9.41435      0.484595 3.29624  0.0768048 3.06803  0.0789749 
1 1 1 15 5  8  o 13.7089  0.101388  187.987      2.77983  188.444      3.80634  187.464      4.06936  13.7239  0.138676  13.6877  0.148651  
1 1 1 15 5  9  o 11.3906  0.0922128 129.776      2.10072  129.39       2.95947  130.168      2.98239  11.3723  0.130117  11.4064  0.130733  
1 1 1 15 5  10 o 15.9314  0.117296  253.904      3.73738  252.875      5.20022  255.004      5.37503  15.8962  0.163568  15.9626  0.168363  
1 1 1 15 5  11 o 4.56533  0.0627101 20.8443      0.572584 20.6908      0.797988 21.0072      0.822061 4.54826  0.0877245 4.58288  0.0896883 
1 1 1 15 5  12 o 5.62455  0.0603537 31.6384      0.678924 31.9608      0.960043 31.3158      0.960245 5.65288  0.0849162 5.59554  0.0858045 
1 1 1 15 5  13 o 16.852   0.11766   284.083      3.96562  282.744      5.58556  285.443      5.63119  16.8095  0.166143  16.8895  0.166707  
1 1 1 15 5  14 o 12.1384  0.0918954 147.366      2.23093  146.672      3.21861  148.006      3.09503  12.1087  0.132905  12.1638  0.127223  
1 1 1 15 5  15 o 12.8922  0.0956316 166.234      2.46581  164.326      3.40901  168.329      3.57098  12.817   0.132987  12.9721  0.137641  
1 1 1 15 5  16 o 12.6125  0.0973603 159.098      2.45592  156.101      3.45026  162.177      3.4966   12.4923  0.138096  12.7331  0.137304  
1 1 1 15 5  17 o 5.37784  0.0788279 28.9238      0.847847 26.3286      1.15839  31.9181      1.24429  5.13064  0.112889  5.64909  0.110132  
1 1 1 15 5  18 o 23.6305  0.159579  558.619      7.54184  557.457      10.6446  559.791      10.6871  23.601   0.225511  23.6503  0.225939  
1 1 1 15 5  19 o 5.03884  0.0804516 25.3929      0.810765 24.4537      1.11534  26.4453      1.18064  4.94448  0.112786  5.14187  0.114806  
1 1 1 15 5  20 o 7.66407  0.0793777 58.7456      1.21671  58.2608      1.69859  59.2566      1.74368  7.63188  0.111282  7.6968   0.113273  
1 1 1 15 5  21 o 6.34025  0.0944112 40.2069      1.19718  41.916       1.75109  38.7068      1.64047  6.47292  0.135262  6.22026  0.131865  
1 1 1 15 5  22 o 9.1959   0.0921625 84.5834      1.69503  84.2144      2.39756  84.9522      2.39672  9.17477  0.130661  9.21489  0.130046  
1 1 1 15 5  23 o 8.20202  0.103089  67.2951      1.69108  68.2668      2.4644   66.4304      2.32479  8.25953  0.149185  8.14793  0.142661  
1 1 1 15 5  24 f 3.52269  0.144211  12.4196      1.01602  11.5575      1.4551   13.2399      1.41931  3.39649  0.214206  3.63587  0.195181  
1 1 1 15 5  25 o 8.2719   0.100784  68.4597      1.66734  69.4583      2.3631   67.4697      2.3529   8.32991  0.141844  8.20971  0.1433    
1 1 1 15 5  26 o 6.69061  0.0989735 44.7916      1.32439  46.4101      1.91595  43.3105      1.83275  6.80826  0.140707  6.57706  0.139329  
1 1 1 15 5  27 o 1.55813  0.326802  2.54006      0.98583  1.19837      1.52143  3.51106      1.2943   1.23653  0.460262  1.83258  0.366086  
1 1 1 15 5  28 o 5.78376  0.102241  33.4888      1.18268  35.4439      1.7325   31.7828      1.61843  5.94686  0.145665  5.63152  0.143694  
1 1 1 15 5  29 f 4.11535  0.122449  16.9684      1.00784  15.5731      1.44204  18.3007      1.40913  3.93787  0.183099  4.27054  0.164983  
1 1 1 15 5  30 o 4.34598  0.11708   18.927       1.01765  21.3234      1.47543  16.7525      1.40548  4.60862  0.160073  4.08366  0.172085  
1 1 1 15 5  31 o 1.82213  0.238621  3.35565      0.869595 2.34382      1.2424   4.32744      1.21756  1.48389  0.4067    2.06343  0.295034  
1 1 1 15 5  32 o 0.822883 0.335618  0.277779     0.873436 -0.223642    1.22789  0.79137      1.2427   0.857932 0.375704  1.06166  0.410667  
1 1 1 15 5  33 o 3.41288  0.15136   11.7207      1.03315  11.2414      1.47985  12.1764      1.44303  3.33063  0.222157  3.4692   0.207978  
1 1 1 15 5  34 o 3.4414   0.144617  11.9219      0.99537  11.8026      1.41343  12.0393      1.40197  3.41207  0.207122  3.44695  0.203364  
1 1 1 15 5  35 o 2.75755  0.194561  7.70717      1.07303  6.3098       1.55368  8.9815       1.48371  2.46812  0.314749  2.96354  0.250328  
1 1 1 15 5  36 o 4.01819  0.134458  16.2632      1.08055  15.7465      1.56424  16.7348      1.49441  3.93675  0.198672  4.06301  0.183905  
1 1 1 15 5  37 f 3.03047  0.175986  9.32865      1.06664  9.42281      1.51854  9.23695      1.49857  3.02135  0.251302  2.99172  0.250453  
1 1 1 15 5  38 o 3.11774  0.190338  9.93141      1.18685  9.71422      1.70894  10.1338      1.64955  3.04549  0.280569  3.11842  0.264485  
1 1 1 15 5  39 o 1.31377  0.386248  1.96189      1.0815   2.65512      1.55597  1.31395      1.50429  1.49785  0.468332  1.17869  0.452716  
1 1 1 15 5  40 o 1.12792  0.396471  1.35485      1.11192  0.522936     1.58802  2.15502      1.55743  1.03993  0.440573  1.36372  0.470183  
1 1 1 15 5  41 o 1.47925  0.360885  2.55582      1.05967  1.76596      1.50528  3.33181      1.49201  1.24444  0.458873  1.6407   0.44392   
1 1 1 15 5  42 o 2.00006  0.258199  4.33165      1.03283  3.24773      1.4621   5.41125      1.45919  1.58537  0.443754  2.17939  0.334769  
1 1 1 15 5  43 o 1.22364  0.388188  1.91194      1.06475  3.46085      1.55265  0.536861     1.46293  1.57488  0.462727  0.945881 0.412185  
1 1 1 15 5  44 o 0.821365 0.353943  0.417129     1.05601  -0.112995    1.48922  0.953286     1.49767  0.835945 0.384735  0.98517  0.422946  
1 1 1 15 5  45 o 0.716044 0.336545  -0.356191    1.24617  0.0545469    1.8272   -0.713384    1.70394  0.856959 0.404156  0.773193 0.372417  
1 1 1 15 5  46 o 0.860159 0.379305  1.05315      1.27122  0.699751     1.75607  1.44225      1.84261  0.843601 0.397373  0.919821 0.425116  
1 1 1 15 5  47 o 0.66958  0.327546  -0.631539    1.46688  -0.793405    2.00516  -0.445178    2.15153  0.723167 0.359288  0.75289  0.373796  
1 1 1 15 6  0  o 29.0937  0.272887  847.427      15.8755  847.427      15.8755  847.427      15.8755  29.1021  0.192886  ?        ?         
1 1 1 15 6  1  o 17.165   0.114505  294.73       3.93094  296.006      5.57953  293.473      5.53906  17.1993  0.162202  17.1256  0.161719  
1 1 1 15 6  2  o 9.08471  0.065776  82.5407      1.19511  83.0983      1.71959  82.0198      1.66216  9.11483  0.0943294 9.05554  0.0917757 
1 1 1 15 6  3  o 15.1283  0.108726  228.931      3.28968  233.882      4.8645   224.758      4.46566  15.2884  0.159091  14.9878  0.148977  
1 1 1 15 6  4  o 9.53735  0.0705855 90.9725      1.3464   90.1167      1.91101  91.816       1.89725  9.49177  0.100667  9.58088  0.0990122 
1 1 1 15 6  5  o 12.7822  0.0929559 163.42       2.37635  162.425      3.34658  164.431      3.37494  12.7418  0.131323  12.8202  0.131626  
1 1 1 15 6  6  o 2.65827  0.0591669 7.06705      0.314563 7.69932      0.435563 6.37777      0.454778 2.77454  0.0784928 2.52516  0.0900495 
1 1 1 15 6  7  o 14.5082  0.105231  210.55       3.05341  210.4        4.31774  210.7        4.31862  14.5009  0.148879  14.5112  0.148803  
1 1 1 15 6  8  o 6.98457  0.0643756 48.7898      0.899273 47.7142      1.23395  50.0082      1.31328  6.90679  0.0893288 7.07081  0.0928664 
1 1 1 15 6  9  o 4.13474  0.060728  17.0978      0.502189 17.9781      0.711077 16.2218      0.709329 4.23964  0.0838606 4.0272   0.0880674 
1 1 1 15 6  10 o 10.1294  0.0840619 102.625      1.703    102.209      2.25789  103.173      2.59368  10.1082  0.111687  10.1552  0.127702  
1 1 1 15 6  11 o 19.0698  0.137607  363.833      5.2483   364.148      7.42516  363.518      7.41927  19.0734  0.194647  19.0569  0.194661  
1 1 1 15 6  12 o 3.43289  0.0713857 11.7862      0.490118 12.0745      0.689594 11.4918      0.696723 3.47442  0.0992387 3.38952  0.102776  
1 1 1 15 6  13 o 7.62068  0.0664695 58.0807      1.01308  59.2132      1.44548  56.9872      1.42029  7.69421  0.0939331 7.5482   0.0940811 
1 1 1 15 6  14 o 10.9772  0.0851874 120.515      1.87024  121.782      2.66376  119.284      2.62647  11.0339  0.120708  10.9202  0.120257  
1 1 1 15 6  15 o 14.3046  0.10307   204.656      2.94875  202.95       4.13774  206.415      4.20336  14.2436  0.145249  14.3647  0.146309  
1 1 1 15 6  16 o 14.335   0.105413  205.526      3.0222   206.705      4.33718  204.413      4.21359  14.3748  0.15086   14.295   0.14738   
1 1 1 15 6  17 o 22.0312  0.152467  485.54       6.71805  480.432      9.61761  490.406      9.38805  21.9107  0.219473  22.1375  0.212039  
1 1 1 15 6  18 f 5.29383  0.0743823 28.0272      0.787536 27.116       1.10522  28.967       1.12247  5.20683  0.106132  5.38162  0.104287  
1 1 1 15 6  19 o 12.1491  0.0931363 147.625      2.26304  147.539      3.1668   147.714      3.23514  12.1446  0.130379  12.1517  0.133115  
1 1 1 15 6  20 o 5.35415  0.0852127 28.6713      0.912483 30.5107      1.29321  26.8476      1.2877   5.52285  0.117078  5.18062  0.12428   
1 1 1 15 6  21 f 8.97447  0.0950097 80.5579      1.70532  82.0979      2.43584  79.0775      2.38825  9.05888  0.134445  8.89069  0.134312  
1 1 1 15 6  22 o 11.0014  0.0947766 121.061      2.08536  123.127      2.98557  119.093      2.91402  11.0935  0.134563  10.9103  0.133544  
1 1 1 15 6  23 o 14.6434  0.13323   214.551      3.90189  218.169      5.67993  211.317      5.36937  14.7619  0.192385  14.5289  0.184783  
1 1 1 15 6  24 o 7.25503  0.0953717 52.6556      1.38385  53.2094      2.00341  52.1503      1.91379  7.29155  0.137379  7.21882  0.132555  
1 1 1 15 6  25 o 3.169    0.168977  10.0577      1.07098  10.5108      1.52275  9.61414      1.50656  3.23734  0.235185  3.09586  0.243318  
1 1 1 15 6  26 o 5.87331  0.101477  34.5186      1.19201  33.9363      1.66511  35.1308      1.70719  5.82161  0.143011  5.92311  0.144113  
1 1 1 15 6  27 o 5.54331  0.110895  30.7595      1.22945  28.1641      1.81748  32.9491      1.66937  5.30052  0.171443  5.73509  0.14554   
1 1 1 15 6  28 o 5.38805  0.103566  29.0647      1.11604  30.3093      1.61659  27.9314      1.54263  5.499    0.14699   5.27896  0.146112  
1 1 1 15 6  29 f 2.14014  0.214534  4.60793      0.918266 4.6683       1.29631  4.54712      1.30095  2.14779  0.301779  2.11929  0.306929  
1 1 1 15 6  30 o 1.43751  0.314462  2.17911      0.879233 2.49404      1.24889  1.86965      1.23802  1.53177  0.402427  1.34805  0.417003  
1 1 1 15 6  31 o 4.19146  0.120469  17.6174      1.00989  16.4068      1.42922  18.8246      1.42717  4.03839  0.176954  4.32743  0.164898  
1 1 1 15 6  32 o 1.9969   0.223021  4.03196      0.890699 3.79926      1.26584  4.26016      1.25353  1.8961   0.346693  2.04272  0.306827  
1 1 1 15 6  33 o 2.87278  0.179103  8.3266       1.02905  7.31289      1.45451  9.34249      1.45608  2.67709  0.271659  3.0325   0.240078  
1 1 1 15 6  34 o 2.97597  0.162681  8.93234      0.968268 8.71474      1.37434  9.1468       1.36439  2.92567  0.234876  2.99897  0.227477  
1 1 1 15 6  35 o 0.924238 0.366756  0.532984     1.00883  0.160944     1.4444   0.887324     1.40963  0.983357 0.41853   1.11077  0.435784  
1 1 1 15 6  36 o 0.754848 0.332526  -0.195434    0.973618 -1.40951     1.3728   1.03328      1.38105  0.743776 0.350641  1.13001  0.433845  
1 1 1 15 6  37 o 1.22773  0.3755    1.64099      1.00771  0.688545     1.40264  2.65704      1.44871  1.05261  0.42671   1.53012  0.446139  
1 1 1 15 6  38 o 3.79327  0.165376  14.628       1.25463  13.2731      1.79353  15.9265      1.75571  3.57511  0.250836  3.93132  0.223297  
1 1 1 15 6  39 o 1.13579  0.386067  1.38833      1.04868  0.56173      1.44448  2.30953      1.52489  1.01936  0.425383  1.40853  0.465544  
1 1 1 15 6  40 o 1.21605  0.394077  1.67218      1.09305  0.89905      1.5502   2.4366       1.54144  1.09455  0.446885  1.42861  0.468063  
1 1 1 15 6  41 o 1.35561  0.376433  2.17831      1.05626  1.66056      1.5085   2.67634      1.47947  1.21741  0.457276  1.462    0.456584  
1 1 1 15 6  42 o 0.830158 0.35228   0.32875      1.01802  0.351821     1.45252  0.306477     1.42722  0.940551 0.410281  0.928125 0.405759  
1 1 1 15 6  43 o 1.30905  0.388552  2.20788      1.08987  1.0603       1.567    3.28317      1.51684  1.04124  0.439213  1.52968  0.459273  
1 1 1 15 6  44 o 0.823737 0.353498  0.447169     1.04547  0.30745      1.47397  0.588628     1.48312  0.88408  0.397667  0.925626 0.408739  
1 1 1 15 6  45 o 0.780426 0.353561  0.260355     1.186    -0.229525    1.66456  0.765473     1.69025  0.805284 0.382268  0.911991 0.415805  
1 1 1 15 6  46 o 0.677076 0.324259  -0.342007    1.24644  0.553768     1.73049  -1.30781     1.79686  0.8231   0.390271  0.696833 0.345092  
1 1 1 15 6  47 o 0.698564 0.34051   -0.304332    1.54147  1.69826      2.01438  -3.13405     2.39451  0.876668 0.418009  0.664116 0.338248  
1 1 1 15 7  0  o 16.9063  0.175632  286.025      5.93715  286.025      5.93715  286.025      5.93715  16.9093  0.124154  ?        ?         
1 1 1 15 7  1  o 6.18319  0.0473441 38.2339      0.585475 38.2928      0.828342 38.1752      0.827633 6.18777  0.0669338 6.17826  0.0669794 
1 1 1 15 7  2  o 30.9573  0.216699  959.474      13.4168  952.258      19.0465  966.582      18.9028  30.8218  0.308978  31.0539  0.304354  
1 1 1 15 7  3  o 8.75868  0.0666259 76.7231      1.16711  77.3505      1.65979  76.1094      1.64145  8.79392  0.0943715 8.72309  0.0940864 
1 1 1 15 7  4  o 17.9659  0.133243  322.921      4.78768  324.513      6.71633  321.276      6.82662  18.0062  0.186501  17.9158  0.190519  
1 1 1 15 7  5  o 5.31515  0.0513825 28.2527      0.546211 27.7091      0.769742 28.8041      0.775206 5.26357  0.0731197 5.36658  0.0722253 
1 1 1 15 7  6  o 12.7065  0.0910238 161.49       2.31319  165.008      3.33474  158.228      3.21142  12.8427  0.129831  12.5762  0.127679  
1 1 1 15 7  7  o 6.46844  0.0560936 41.8443      0.725677 42.0154      1.03992  41.682       1.01313  6.48136  0.080224  6.45562  0.0784685 
1 1 1 15 7  8  o 11.4973  0.0908105 132.219      2.08816  133.606      2.97947  130.88       2.92742  11.5562  0.128913  11.4377  0.127973  
1 1 1 15 7  9  o 4.42974  0.0592231 19.6245      0.524685 19.1475      0.722585 20.1565      0.763106 4.37537  0.0825742 4.48915  0.0849945 
1 1 1 15 7  10 o 10.6718  0.0811459 113.907      1.73194  114.371      2.42926  113.426      2.46992  10.6926  0.113595  10.6483  0.115977  
1 1 1 15 7  11 o 8.47062  0.0758052 71.7616      1.28423  70.8028      1.7217   72.9641      1.92814  8.41333  0.10232   8.54054  0.112882  
1 1 1 15 7  12 o 4.98546  0.0641597 24.8572      0.639731 25.2461      0.893298 24.4478      0.916582 5.02407  0.0889019 4.94396  0.0926972 
1 1 1 15 7  13 o 2.10884  0.107076  4.4483       0.451611 4.75604      0.633234 4.12975      0.644259 2.18033  0.145215  2.03162  0.158558  
1 1 1 15 7  14 o 9.10294  0.0767423 82.8722      1.39716  80.6564      1.91741  85.3805      2.04005  8.97996  0.106761  9.23914  0.110403  
1 1 1 15 7  15 o 7.40775  0.0746415 54.8794      1.10585  53.9296      1.47292  56.1063      1.67415  7.34311  0.100293  7.48969  0.111764  
1 1 1 15 7  16 o 31.1603  0.212289  971.611      13.23    961.332      18.5187  982.325      18.9074  30.9846  0.298837  31.3206  0.301837  
1 1 1 15 7  17 o 12.075   0.0918581 145.825      2.21838  146.172      3.14014  145.479      3.13439  12.0886  0.12988   12.0599  0.129951  
1 1 1 15 7  18 o 3.08439  0.104163  9.51522      0.642558 8.50162      0.899073 10.5735      0.918671 2.91516  0.154206  3.25114  0.141285  
1 1 1 15 7  19 o 12.1455  0.0943001 147.54       2.29065  147.642      3.23951  147.438      3.23942  12.1486  0.133328  12.1402  0.133417  
1 1 1 15 7  20 o 5.70595  0.0831587 32.5627      0.948999 31.9128      1.33112  33.2344      1.35333  5.6483   0.117834  5.76407  0.117393  
1 1 1 15 7  21 o 7.72472  0.0929741 59.6835      1.4364   59.5217      2.03099  59.8455      2.03175  7.71343  0.131653  7.73438  0.131346  
1 1 1 15 7  22 o 16.5625  0.122384  274.429      4.05396  274.748      5.73343  274.11       5.73289  16.5686  0.173021  16.5493  0.173206  
1 1 1 15 7  23 o 8.5578   0.108726  73.2645      1.8609   72.55        2.64215  73.9679      2.6214   8.51423  0.155161  8.59715  0.152458  
1 1 1 15 7  24 o 14.8771  0.118979  221.465      3.54012  222.351      5.07426  220.625      4.94136  14.9018  0.170257  14.8442  0.16644   
1 1 1 15 7  25 o 2.12563  0.234163  4.53184      0.995484 5.04981      1.42868  4.04303      1.38786  2.241    0.31876   1.97243  0.365541  
1 1 1 15 7  26 o 3.69754  0.135484  13.6886      1.00192  14.3491      1.43405  13.0587      1.40039  3.78343  0.189518  3.60909  0.194009  
1 1 1 15 7  27 o 7.27663  0.100796  52.996       1.46691  53.9056      2.12343  52.1656      2.02884  7.33536  0.14474   7.21637  0.140572  
1 1 1 15 7  28 o 2.77453  0.166006  7.72139      0.921177 7.41863      1.31027  8.01729      1.29534  2.71502  0.2413    2.8233   0.229402  
1 1 1 15 7  29 o 4.73942  0.11254   22.5009      1.06675  22.3675      1.49271  22.6401      1.52504  4.72139  0.158079  4.74983  0.160536  
1 1 1 15 7  30 o 2.88614  0.157467  8.36322      0.908942 6.93386      1.26561  9.8858       1.30622  2.62077  0.241458  3.13307  0.208458  
1 1 1 15 7  31 o 7.44533  0.0970399 55.536       1.44499  55.5473      2.03194  55.5244      2.0553   7.43935  0.136567  7.43749  0.138172  
1 1 1 15 7  32 o 4.13322  0.119634  17.1397      0.98895  16.9726      1.40822  17.3024      1.38914  4.10596  0.171485  4.1463   0.167516  
1 1 1 15 7  33 o 5.11433  0.118728  26.2611      1.21443  26.5489      1.73749  25.9861      1.6981   5.1319   0.169284  5.0777   0.167212  
1 1 1 15 7  34 o 3.95301  0.129509  15.7135      1.0239   16.5296      1.48843  14.9804      1.41072  4.04264  0.184091  3.84874  0.18327   
1 1 1 15 7  35 o 1.78169  0.284398  3.26822      1.01342  2.66636      1.46351  3.82265      1.40467  1.55437  0.44687   1.87311  0.388032  
1 1 1 15 7  36 o 1.085    0.376953  1.15563      1.00266  0.694352     1.39492  1.64873      1.44222  1.06103  0.427421  1.28084  0.451399  
1 1 1 15 7  37 o 2.62473  0.199904  7.03692      1.04939  7.14179      1.50343  6.93729      1.46542  2.61489  0.287475  2.57843  0.284168  
1 1 1 15 7  38 o 3.38974  0.180579  11.7214      1.22423  12.0952      1.71789  11.3356      1.74508  3.41118  0.251803  3.29574  0.264748  
1 1 1 15 7  39 o 2.3482   0.228754  5.72935      1.07432  5.79871      1.50984  5.65823      1.52897  2.31836  0.325628  2.2855   0.334495  
1 1 1 15 7  40 o 2.86834  0.202153  8.51139      1.15969  9.52012      1.64912  7.52454      1.63112  2.99119  0.275662  2.63896  0.309046  
1 1 1 15 7  41 o 0.928192 0.372535  0.685044     1.05416  0.302911     1.49856  1.05937      1.48317  0.960056 0.417762  1.08691  0.439539  
1 1 1 15 7  42 o 1.64402  0.327581  3.14267      1.03892  3.32276      1.49039  2.97245      1.44898  1.59471  0.448564  1.50814  0.448091  
1 1 1 15 7  43 o 0.719271 0.327708  -0.252765    1.04588  -0.449927    1.50915  -0.0705627   1.45077  0.819063 0.380908  0.851024 0.38726   
1 1 1 15 7  44 o 1.54618  0.351231  3.05294      1.06168  3.87867      1.50028  2.22465      1.5026   1.6314   0.446828  1.21785  0.456591  
1 1 1 15 7  45 o 0.847312 0.369902  0.693496     1.18263  -0.883518    1.74349  2.03746      1.60951  0.761965 0.368958  1.09019  0.451603  
1 1 1 15 7  46 o 0.852581 0.377445  1.06495      1.27566  1.01404      1.84684  1.1114       1.76411  0.863698 0.407037  0.870517 0.407456  
1 1 1 15 7  47 o 0.637314 0.31644   -1.08888     1.54346  -0.259934    2.03054  -2.22327     2.37536  0.732728 0.363697  0.679388 0.344501  
1 1 1 15 8  0  o 12.3287  0.118361  152.067      2.91789  152.067      2.91789  152.067      2.91789  12.3301  0.083676  ?        ?         
1 1 1 15 8  1  o 9.84473  0.0690017 96.9304      1.35861  98.0772      1.92163  95.7843      1.92109  9.90221  0.0970305 9.78575  0.0981574 
1 1 1 15 8  2  f 24.0729  0.170963  579.933      8.23112  575.027      11.5409  585.013      11.7428  23.962   0.240817  24.1688  0.242933  
1 1 1 15 8  3  o 7.28795  0.0594462 53.119       0.866482 54.3611      1.2448   51.9514      1.20686  7.37232  0.084424  7.20708  0.0837274 
1 1 1 15 8  4  o 10.8556  0.0843385 117.866      1.83109  117.096      2.57301  118.657      2.60643  10.8191  0.118911  10.8909  0.11966   
1 1 1 15 8  5  o 6.78103  0.0576422 45.9864      0.781748 47.8231      1.14052  44.3589      1.07363  6.9148   0.0824696 6.65968  0.0806064 
1 1 1 15 8  6  o 5.9358   0.0532934 35.2364      0.632677 34.6438      0.903446 35.8066      0.886282 5.88543  0.0767528 5.98342  0.0740615 
1 1 1 15 8  7  o 2.28336  0.0747254 5.21451      0.341249 5.78435      0.493262 4.69141      0.472599 2.40472  0.102561  2.16561  0.109114  
1 1 1 15 8  8  o 3.01842  0.0631001 9.11187      0.380925 9.55519      0.549645 8.70216      0.528402 3.0908   0.0889162 2.94961  0.0895716 
1 1 1 15 8  9  o 10.7654  0.0839643 115.916      1.80782  116.354      2.56476  115.482      2.5486   10.7847  0.118907  10.7442  0.118603  
1 1 1 15 8  10 o 4.89711  0.0581353 23.9838      0.56939  24.3567      0.810833 23.621       0.799761 4.93482  0.0821543 4.85972  0.0822847 
1 1 1 15 8  11 o 11.1881  0.0851931 125.195      1.9063   124.358      2.64883  126.095      2.74559  11.1496  0.118785  11.2271  0.122275  
1 1 1 15 8  12 o 3.91989  0.0666355 15.3672      0.522408 15.7172      0.734851 15.0095      0.742806 3.96409  0.0926884 3.87378  0.0958761 
1 1 1 15 8  13 o 5.65836  0.0651706 32.0198      0.737518 32.9119      1.03618  31.1038      1.04997  5.73641  0.0903159 5.57657  0.0941416 
1 1 1 15 8  14 o 6.92653  0.0676701 47.9806      0.937439 48.0972      1.26503  47.8385      1.39612  6.93472  0.09121   6.91593  0.100935  
1 1 1 15 8  15 o 12.7101  0.0949372 161.567      2.41331  164.615      3.50546  158.821      3.32738  12.8285  0.136628  12.6008  0.132031  
1 1 1 15 8  16 o 4.34416  0.073471  18.8733      0.63834  18.7245      0.90532  19.0204      0.9002   4.32682  0.104617  4.36088  0.103213  
1 1 1 15 8  17 o 22.5986  0.159831  510.895      7.22391  512.815      10.0148  508.811      10.4301  22.6369  0.221206  22.5476  0.231292  
1 1 1 15 8  18 o 8.39384  0.0758542 70.4637      1.27342  69.9141      1.77591  71.0453      1.82693  8.36063  0.106207  8.42796  0.108385  
1 1 1 15 8  19 o 3.16938  0.108929  10.0474      0.690475 9.3454       0.96973  10.7693      0.98337  3.05624  0.158648  3.2809   0.149863  
1 1 1 15 8  20 o 11.0389  0.093503  121.879      2.06433  123.942      2.96005  119.926      2.88039  11.1308  0.132967  10.949   0.131537  
1 1 1 15 8  21 o 4.92833  0.101413  24.2946      0.99959  23.9549      1.42649  24.6223      1.40111  4.89309  0.145766  4.96086  0.141217  
1 1 1 15 8  22 o 15.0115  0.122428  225.442      3.67565  225.158      4.96137  225.786      5.47243  14.9994  0.165386  15.019   0.182184  
1 1 1 15 8  23 o 16.4147  0.13975   269.627      4.5879   268.479      6.55057  270.732      6.42772  16.3738  0.200032  16.4429  0.195455  
1 1 1 15 8  24 o 8.1859   0.0968496 67.0379      1.5856   66.8362      2.23625  67.2418      2.24856  8.17179  0.136827  8.19653  0.137166  
1 1 1 15 8  25 o 2.35863  0.206842  5.57663      0.975731 4.74787      1.39639  6.36736      1.36397  2.17263  0.321358  2.51815  0.270827  
1 1 1 15 8  26 o 7.24661  0.0959671 52.547       1.39087  52.1209      1.99041  52.9536      1.94438  7.21465  0.137942  7.27235  0.133683  
1 1 1 15 8  27 o 4.39682  0.124298  19.3594      1.09303  17.8573      1.54364  20.8698      1.54791  4.21932  0.182926  4.56234  0.16964   
1 1 1 15 8  28 o 1.31996  0.332507  1.8328       0.877974 2.27467      1.24712  1.3986       1.23624  1.47214  0.409109  1.22182  0.419131  
1 1 1 15 8  29 o 2.08859  0.219208  4.39146      0.91567  3.67965      1.28795  5.11897      1.30207  1.87207  0.35681   2.24937  0.289431  
1 1 1 15 8  30 o 1.33635  0.320473  1.88837      0.846758 3.18001      1.18789  0.554085     1.20734  1.7347   0.354639  1.00311  0.400223  
1 1 1 15 8  31 o 5.31769  0.103128  28.3383      1.09681  29.0739      1.55247  27.6053      1.54978  5.38082  0.144259  5.24261  0.147806  
1 1 1 15 8  32 o 0.62859  0.290287  -0.672551    0.856961 -1.18963     1.21441  -0.15968     1.20946  0.715548 0.335482  0.860405 0.37486   
1 1 1 15 8  33 o 1.20012  0.353091  1.52049      0.903472 -0.0459938   1.25433  3.20941      1.30243  0.892498 0.385186  1.72278  0.387422  
1 1 1 15 8  34 o 0.715808 0.318748  -0.313393    0.925738 -1.84395     1.30634  1.23058      1.31206  0.679259 0.326906  1.16931  0.428678  
1 1 1 15 8  35 o 2.05156  0.246599  4.30492      1.01182  5.00171      1.44211  3.62933      1.42001  2.19217  0.328925  1.81847  0.401208  
1 1 1 15 8  36 o 4.49312  0.130867  20.3447      1.176    21.0199      1.71918  19.751       1.61221  4.54806  0.189001  4.41094  0.182752  
1 1 1 15 8  37 o 0.859305 0.355596  0.317869     0.996315 1.35571      1.38848  -0.783698    1.43047  1.18964  0.440313  0.827693 0.379311  
1 1 1 15 8  38 o 2.7448   0.209486  7.74129      1.14999  9.63791      1.75147  6.30401      1.52469  3.02517  0.289482  2.43629  0.312912  
1 1 1 15 8  39 o 0.82617  0.352024  0.168399     1.02386  0.0958286    1.43613  0.243412     1.46009  0.937854 0.408542  0.967545 0.416553  
1 1 1 15 8  40 o 1.01067  0.385065  0.952032     1.08113  1.87782      1.54311  0.0594767    1.51517  1.28785  0.465599  0.943784 0.415294  
1 1 1 15 8  41 o 1.67801  0.335684  3.23872      1.08676  2.78409      1.56161  3.66567      1.51335  1.47233  0.470423  1.71077  0.439909  
1 1 1 15 8  42 o 0.784772 0.341488  0.133269     1.0013   -0.141225    1.39244  0.427202     1.4409   0.850611 0.384346  0.945557 0.41052   
1 1 1 15 8  43 o 1.05455  0.393822  1.35742      1.1157   0.467596     1.64597  2.11379      1.51753  0.953883 0.424886  1.23025  0.459325  
1 1 1 15 8  44 o 1.21553  0.389673  2.04077      1.07086  2.3243       1.51924  1.7608       1.50964  1.22709  0.459298  1.11141  0.445919  
1 1 1 15 8  45 o 0.846771 0.371338  0.68384      1.20298  0.104674     1.79044  1.16046      1.62422  0.849525 0.400479  0.952524 0.423259  
1 1 1 15 8  46 o 0.559276 0.27894   -1.85667     1.26793  -2.28303     1.79236  -1.42959     1.79388  0.637893 0.320533  0.681394 0.338712  
1 1 1 15 8  47 o 0.548344 0.277437  -2.57861     1.51515  -3.09548     1.95956  -1.8102      2.38925  0.594396 0.303271  0.677855 0.3441    
1 1 1 15 9  0  f 8.79222  0.101676  77.3445      1.78738  77.3445      1.78738  77.3445      1.78738  8.7934   0.0718756 ?        ?         
1 1 1 15 9  1  o 8.1975   0.0659204 67.2066      1.08077  66.3963      1.51034  68.0569      1.54719  8.14749  0.0926874 8.24872  0.0937838 
1 1 1 15 9  2  o 3.75128  0.0469966 14.0729      0.352595 14.163       0.502868 13.9858      0.494526 3.76316  0.0668146 3.73955  0.0661211 
1 1 1 15 9  3  o 4.20965  0.0482065 17.7222      0.405865 17.9952      0.572944 17.4472      0.575021 4.24182  0.0675351 4.17672  0.0688364 
1 1 1 15 9  4  o 3.71254  0.0502672 13.7839      0.373237 13.9469      0.526441 13.6191      0.529245 3.73431  0.0704871 3.69015  0.0717104 
1 1 1 15 9  5  o 4.84761  0.0519301 23.501       0.503473 23.371       0.719246 23.6259      0.705006 4.83399  0.0743946 4.86031  0.0725269 
1 1 1 15 9  6  o 12.2369  0.089922  149.774      2.20073  150.066      3.11881  149.484      3.10582  12.2474  0.127325  12.2237  0.127042  
1 1 1 15 9  7  o 12.9479  0.0986496 167.693      2.55461  169.095      3.6894   166.403      3.54071  13       0.1419    12.8963  0.137276  
1 1 1 15 9  8  o 12.0576  0.0969217 145.422      2.33728  151.928      3.52698  140.328      3.12096  12.3225  0.143112  11.8432  0.131762  
1 1 1 15 9  9  o 12.1882  0.0891058 148.582      2.17208  149.041      3.14974  148.167      2.99933  12.2056  0.129029  12.1699  0.123227  
1 1 1 15 9  10 f 7.40681  0.0699899 54.8676      1.0368   53.7548      1.45659  56.0104      1.47613  7.33085  0.0993468 7.48309  0.0986307 
1 1 1 15 9  11 o 12.2305  0.0915174 149.614      2.2386   150.749      3.22512  148.56       3.10975  12.2754  0.131365  12.1861  0.127594  
1 1 1 15 9  12 o 10.8227  0.0793755 117.149      1.71812  118.143      2.4428   116.175      2.41699  10.8678  0.112387  10.7769  0.112138  
1 1 1 15 9  13 o 5.30515  0.0669323 28.147       0.710172 27.4722      1.00265  28.8262      1.00603  5.24094  0.0956557 5.36856  0.0936961 
1 1 1 15 9  14 o 10.8022  0.0818841 116.701      1.76906  116.164      2.46707  117.269      2.53811  10.7768  0.114462  10.8279  0.117203  
1 1 1 15 9  15 o 7.14479  0.0741282 51.0522      1.05926  50.0495      1.41696  52.3224      1.5948   7.07404  0.100152  7.23277  0.110248  
1 1 1 15 9  16 o 2.82226  0.0979495 7.96626      0.552877 8.30183      0.75842  7.58569      0.807674 2.88091  0.131628  2.75376  0.146649  
1 1 1 15 9  17 o 6.06975  0.0849056 36.846       1.03071  34.4563      1.47212  39.1438      1.44359  5.86922  0.125411  6.25584  0.115379  
1 1 1 15 9  18 o 4.89404  0.079891  23.9545      0.78198  24.4667      1.07594  23.381       1.13849  4.94584  0.108772  4.83477  0.11774   
1 1 1 15 9  19 o 2.93184  0.119984  8.59826      0.703547 8.41282      0.982038 8.79379      1.00842  2.89962  0.169339  2.96454  0.17008   
1 1 1 15 9  20 o 12.6885  0.107447  161.04       2.72669  165.497      3.8969   156.764      3.8166   12.8613  0.151497  12.5173  0.152453  
1 1 1 15 9  21 o 3.33702  0.128176  11.1404      0.855449 11.82        1.23985  10.5229      1.18181  3.43659  0.18039   3.24251  0.182237  
1 1 1 15 9  22 o 1.70561  0.280662  2.91592      0.9574   2.80953      1.38565  3.0131       1.32436  1.64056  0.420402  1.69805  0.396728  
1 1 1 15 9  23 o 2.76104  0.173068  7.63184      0.955698 6.6388       1.35183  8.62408      1.35129  2.57327  0.262668  2.93377  0.230299  
1 1 1 15 9  24 o 9.29454  0.0963858 86.427       1.79172  87.5949      2.57834  85.3363      2.49164  9.35493  0.137807  9.23371  0.134921  
1 1 1 15 9  25 o 10.9363  0.101649  119.675      2.22333  117.726      3.13486  121.647      3.15375  10.8435  0.14455   11.0227  0.143057  
1 1 1 15 9  26 o 11.6686  0.10386   136.263      2.42379  135.191      3.48934  137.263      3.36933  11.6175  0.150175  11.707   0.143902  
1 1 1 15 9  27 o 3.50128  0.142638  12.2833      0.998835 13.419       1.44973  11.2571      1.37812  3.65623  0.198255  3.34828  0.205795  
1 1 1 15 9  28 o 3.18046  0.146069  10.1405      0.929133 11.021       1.31626  9.26607      1.31174  3.31213  0.198703  3.03573  0.216049  
1 1 1 15 9  29 o 5.11692  0.107528  26.2262      1.10042  26.5046      1.53767  25.934       1.57549  5.13999  0.149579  5.08376  0.154953  
1 1 1 15 9  30 o 1.96782  0.213933  3.9031       0.841963 5.00286      1.18568  2.78449      1.19581  2.22293  0.266694  1.61752  0.376379  
1 1 1 15 9  31 o 1.20322  0.337409  1.52418      0.84453  1.73388      1.18332  1.30649      1.20568  1.2984   0.408907  1.1822   0.413105  
1 1 1 15 9  32 o 3.19364  0.152618  10.2575      0.974811 8.73794      1.38146  11.7645      1.37574  2.9362   0.235247  3.41303  0.201541  
1 1 1 15 9  33 o 1.17867  0.346599  1.46597      0.870774 2.55739      1.22599  0.354839     1.23701  1.53532  0.39658   0.961046 0.396874  
1 1 1 15 9  34 o 2.69883  0.187012  7.3738       1.00943  6.11369      1.39922  8.74139      1.45766  2.43708  0.287068  2.92441  0.249224  
1 1 1 15 9  35 o 5.48238  0.115421  30.2111      1.26556  31.4744      1.85312  29.1069      1.7325   5.58052  0.166035  5.36811  0.16137   
1 1 1 15 9  36 o 2.92405  0.173655  8.67432      1.01555  6.97929      1.40932  10.5052      1.4647   2.5964   0.271398  3.20127  0.228768  
1 1 1 15 9  37 o 0.905664 0.36177   0.535138     0.987544 1.47453      1.38938  -0.424019    1.40393  1.21596  0.441582  0.864475 0.388518  
1 1 1 15 9  38 o 3.29933  0.171361  11.0906      1.13075  10.0253      1.60631  12.1371      1.59204  3.09973  0.259105  3.42455  0.232445  
1 1 1 15 9  39 o 1.04384  0.384939  1.05989      1.05931  1.20501      1.47399  0.904877     1.52342  1.14712  0.446524  1.09673  0.444658  
1 1 1 15 9  40 o 0.635705 0.303159  -1.14837     1.06052  -1.39938     1.51463  -0.906951    1.48541  0.768344 0.364692  0.810436 0.377283  
1 1 1 15 9  41 o 0.793196 0.346534  0.0683713    1.03953  1.34312      1.44265  -1.30828     1.4992   1.12944  0.441318  0.758155 0.361264  
1 1 1 15 9  42 o 1.11345  0.374253  1.47923      0.985478 1.02713      1.3729   1.95977      1.41543  1.03616  0.421386  1.24301  0.446263  
1 1 1 15 9  43 o 1.66784  0.349737  3.45203      1.12926  1.70791      1.61845  5.10674      1.57642  1.13973  0.459871  1.96338  0.414341  
1 1 1 15 9  44 o 0.8291   0.356282  0.526019     1.06452  1.2567       1.51444  -0.187599    1.49665  1.01046  0.429265  0.811117 0.378029  
1 1 1 15 9  45 o 0.686332 0.324982  -0.471696    1.19629  0.419231     1.73556  -1.27814     1.65122  0.871254 0.406454  0.713792 0.348787  
1 1 1 15 9  46 o 0.567786 0.283081  -1.79757     1.30006  -2.04905     1.89779  -1.5752      1.78455  0.660697 0.331057  0.668117 0.332901  
1 1 1 15 9  47 o 0.647103 0.318747  -0.332793    1.44279  0.558973     1.9363   -1.44595     2.16335  0.731307 0.361209  0.654595 0.331261  
1 1 1 15 10 0  o 0.925104 0.184214  0.951354     0.302427 0.951354     0.302427 0.951354     0.302427 0.954762 0.115846  ?        ?         
1 1 1 15 10 1  o 1.9815   0.0588447 3.92671      0.233202 3.85192      0.336917 3.99549      0.32311  1.96244  0.0858413 1.9987   0.0808301 
1 1 1 15 10 2  o 14.2504  0.114494  203.145      3.26318  204.114      4.63631  202.194      4.59365  14.2819  0.162315  14.2146  0.161582  
1 1 1 15 10 3  o 7.4967   0.0634037 56.2066      0.950637 56.2465      1.36174  56.1687      1.32771  7.49894  0.0907958 7.49379  0.0885873 
1 1 1 15 10 4  o 15.337   0.114729  235.308      3.51921  234.74       5.03309  235.851      4.92257  15.3157  0.164312  15.3521  0.160322  
1 1 1 15 10 5  o 8.32265  0.0687917 69.2754      1.14506  70.059       1.63751  68.5256      1.60179  8.36903  0.0978316 8.27696  0.0967623 
1 1 1 15 10 6  o 3.74431  0.0547605 14.021       0.410081 13.7078      0.578912 14.3365      0.580977 3.70208  0.0781873 3.78605  0.076726  
1 1 1 15 10 7  f 7.85321  0.0714164 61.6817      1.1217   63.074       1.73128  60.6744      1.47257  7.9406   0.109015  7.78841  0.0945359 
1 1 1 15 10 8  o 14.7119  0.1086    216.507      3.19544  219.294      4.51715  213.716      4.52092  14.804   0.152565  14.6144  0.154674  
1 1 1 15 10 9  o 12.855   0.0913997 165.286      2.34988  168.121      3.36854  162.597      3.27971  12.9634  0.129926  12.7487  0.12863   
1 1 1 15 10 10 o 4.74962  0.0641607 22.5612      0.609479 21.1209      0.844828 24.1243      0.880122 4.59527  0.0919236 4.91116  0.0896042 
1 1 1 15 10 11 o 2.38959  0.090494  5.71122      0.432487 5.37128      0.613577 6.04688      0.609698 2.31712  0.132401  2.45859  0.123994  
1 1 1 15 10 12 o 13.6078  0.0963727 185.207      2.62283  184.236      3.73023  186.156      3.6886   13.5706  0.137438  13.6413  0.1352    
1 1 1 15 10 13 o 11.6285  0.0852576 135.24       1.98284  134.74       2.76414  135.769      2.84597  11.6063  0.119079  11.6505  0.12214   
1 1 1 15 10 14 o 36.6097  0.24337   1341.48      17.8194  1340.2       25.1609  1342.76      25.2402  36.5752  0.343961  36.61    0.344717  
1 1 1 15 10 15 o 6.75656  0.0705996 45.6544      0.954021 43.515       1.34505  47.8204      1.35337  6.59607  0.101958  6.91473  0.0978612 
1 1 1 15 10 16 o 7.33428  0.0740686 53.7961      1.08648  54.3162      1.44863  53.1274      1.64262  7.36941  0.0982868 7.28815  0.112691  
1 1 1 15 10 17 o 22.1445  0.160662  490.585      7.11554  490.387      9.83039  490.803      10.3127  22.1356  0.22205   22.1441  0.232855  
1 1 1 15 10 18 o 14.9398  0.108925  223.249      3.25462  222.97       4.50007  223.555      4.71276  14.9289  0.150717  14.9481  0.157637  
1 1 1 15 10 19 o 17.1723  0.122425  294.983      4.20464  298.068      5.93877  291.882      5.95377  17.2592  0.172046  17.0791  0.1743    
1 1 1 15 10 20 o 9.37515  0.0916896 87.9104      1.71921  87.787       2.43518  88.033       2.42749  9.36765  0.129978  9.38078  0.129386  
1 1 1 15 10 21 o 9.42753  0.0886955 88.8968      1.67236  90.1827      2.39303  87.6693      2.33807  9.49444  0.126023  9.36124  0.124881  
1 1 1 15 10 22 o 9.79757  0.102979  96.0239      2.01789  95.4977      2.77675  96.6127      2.93749  9.76923  0.142117  9.82577  0.149479  
1 1 1 15 10 23 o 3.58467  0.135844  12.8593      0.973911 12.076       1.40363  13.5864      1.35243  3.47222  0.202124  3.68349  0.18358   
1 1 1 15 10 24 o 7.50123  0.0962362 56.2946      1.44378  58.3543      2.04281  54.239       2.04082  7.63556  0.133769  7.36116  0.138621  
1 1 1 15 10 25 o 8.28578  0.0970417 68.6938      1.60813  68.8463      2.30778  68.5498      2.24213  8.29242  0.13915   8.2748   0.135479  
1 1 1 15 10 26 f 6.19683  0.0994248 38.4297      1.23224  40.4866      1.87518  36.8664      1.63475  6.35757  0.147476  6.06752  0.134713  
1 1 1 15 10 27 o 3.70021  0.132499  13.7164      0.980548 15.4078      1.41173  12.1397      1.36297  3.91878  0.180123  3.47738  0.195976  
1 1 1 15 10 28 f 6.38177  0.095516  40.7722      1.21912  39.694       1.70285  41.906       1.74617  6.29329  0.135291  6.4663   0.135021  
1 1 1 15 10 29 o 6.03596  0.0994947 36.4859      1.20109  35.565       1.67009  37.4723      1.72863  5.95496  0.140226  6.1124   0.141403  
1 1 1 15 10 30 f 4.14834  0.115706  17.2501      0.959973 16.0377      1.3472   18.5007      1.36826  3.99449  0.168633  4.29142  0.159417  
1 1 1 15 10 31 f 3.7436   0.125602  14.0607      0.940406 13.0031      1.29437  15.2431      1.3686   3.59391  0.180079  3.89177  0.175833  
1 1 1 15 10 32 o 2.20313  0.212215  4.90944      0.935077 5.57171      1.31112  4.22389      1.33397  2.33726  0.280483  2.02759  0.328956  
1 1 1 15 10 33 o 1.58383  0.293258  2.65046      0.894019 3.28073      1.2626   2.01672      1.26608  1.74382  0.372893  1.3762   0.420891  
1 1 1 15 10 34 o 0.934153 0.358815  0.650932     0.945022 1.3094       1.33864  -0.00327295  1.3343   1.19155  0.433372  0.921237 0.397428  
1 1 1 15 10 35 o 1.22336  0.361     1.60492      0.943048 1.851        1.37918  1.38883      1.29239  1.32913  0.442743  1.19947  0.426844  
1 1 1 15 10 36 o 4.36092  0.129065  19.1755      1.12569  19.4173      1.55824  18.9117      1.62797  4.37226  0.178196  4.31088  0.188822  
1 1 1 15 10 37 o 1.93693  0.261841  3.89989      1.01434  5.08904      1.41232  2.63305      1.45773  2.19108  0.32229   1.51591  0.449245  
1 1 1 15 10 38 o 1.30082  0.378821  1.90198      1.04512  1.06113      1.48845  2.71969      1.46782  1.13118  0.446555  1.52708  0.4503    
1 1 1 15 10 39 o 1.12709  0.390956  1.3544       1.07818  0.92666      1.5482   1.7572       1.50237  1.10494  0.448149  1.27172  0.459447  
1 1 1 15 10 40 o 1.5095   0.360562  2.62593      1.07517  2.85544      1.49808  2.38213      1.54399  1.5286   0.455914  1.40491  0.468451  
1 1 1 15 10 41 o 2.17735  0.243155  5.06615      1.05887  3.49063      1.48801  6.68237      1.5071   1.65835  0.440919  2.45409  0.307059  
1 1 1 15 10 42 o 2.18939  0.227339  5.13476      0.995466 4.38672      1.4049   5.88901      1.41072  1.89044  0.384938  2.28073  0.30927   
1 1 1 15 10 43 o 1.78253  0.325055  3.84559      1.11588  3.67817      1.5644   4.019        1.59217  1.58751  0.463848  1.66755  0.461875  
1 1 1 15 10 44 o 0.910891 0.369179  0.957204     1.04959  2.12878      1.49433  -0.183597    1.47457  1.16329  0.450256  0.801483 0.374193  
1 1 1 15 10 45 o 0.640522 0.30975   -0.949126    1.21369  -1.14542     1.68792  -0.739       1.7464   0.727175 0.354791  0.766631 0.370878  
1 1 1 15 10 46 o 0.784978 0.358167  0.722142     1.2593   2.4704       1.78429  -1.01297     1.77757  0.99541  0.442909  0.692412 0.342983  
1 1 1 15 10 47 o 0.532015 0.269552  -2.42944     1.44538  -2.46004     1.82725  -2.37829     2.36252  0.58404  0.297419  ?        ?         
1 1 1 15 11 0  o 3.79057  0.0637773 14.3814      0.483196 14.3814      0.483196 14.3814      0.483196 3.79143  0.0450727 ?        ?         
1 1 1 15 11 1  o 4.079    0.0447021 16.6391      0.364679 16.9638      0.522303 16.3302      0.509408 4.1185   0.0634094 4.04085  0.0630322 
1 1 1 15 11 2  o 0.981084 0.123718  0.962923     0.242756 1.40436      0.3489   0.54869      0.337977 1.18471  0.147251  0.734706 0.215896  
1 1 1 15 11 3  o 19.1851  0.144142  368.275      5.53074  368.673      8.04409  367.919      7.61669  19.1894  0.209597  19.1709  0.198652  
1 1 1 15 11 4  o 9.26156  0.0746455 85.7896      1.38267  86.0539      2.01786  85.5556      1.89838  9.27502  0.108779  9.24829  0.102634  
1 1 1 15 11 5  o 4.03471  0.0544443 16.2802      0.439333 16.1627      0.614799 16.4028      0.628035 4.01996  0.0764682 4.04969  0.077541  
1 1 1 15 11 6  o 18.235   0.139444  332.696      5.08552  333.003      7.10347  332.373      7.28395  18.2387  0.194736  18.2209  0.199879  
1 1 1 15 11 7  o 10.5494  0.0798975 111.31       1.68575  111.795      2.33769  110.784      2.43319  10.5716  0.110565  10.5235  0.115608  
1 1 1 15 11 8  o 5.75936  0.0614609 33.1735      0.707951 32.6237      0.982326 33.7677      1.02119  5.71116  0.0860005 5.81041  0.0878761 
1 1 1 15 11 9  o 8.91152  0.0732694 79.4259      1.30588  82.2141      1.87166  76.7811      1.8229   9.06598  0.103225  8.76129  0.104031  
1 1 1 15 11 10 o 5.33228  0.0615324 28.4358      0.656216 27.6566      0.91497  29.2612      0.941665 5.25847  0.0869997 5.40886  0.0870483 
1 1 1 15 11 11 o 10.1946  0.0762782 103.945      1.55526  104.862      2.23652  103.085      2.1642   10.2388  0.109218  10.1517  0.106593  
1 1 1 15 11 12 o 15.257   0.10901   232.831      3.32635  232.169      4.74568  233.47       4.66372  15.2335  0.155765  15.2762  0.152646  
1 1 1 15 11 13 o 7.38879  0.0666521 54.5983      0.984957 55.727       1.44156  53.61        1.34893  7.46447  0.0965612 7.32136  0.092123  
1 1 1 15 11 14 o 18.6134  0.12695   346.539      4.72595  349.351      6.72823  343.802      6.63965  18.6864  0.18003   18.5375  0.179087  
1 1 1 15 11 15 o 7.58457  0.0715184 57.5301      1.08487  56.309       1.56672  58.655       1.5037   7.50331  0.104402  7.6581   0.0981771 
1 1 1 15 11 16 f 4.58787  0.072389  21.0502      0.664222 20.7821      0.919328 21.3429      0.960745 4.55839  0.100839  4.61946  0.103989  
1 1 1 15 11 17 o 19.6084  0.138698  384.617      5.43929  380.115      7.5192   389.558      7.87798  19.4902  0.192897  19.7303  0.199641  
1 1 1 15 11 18 o 6.59919  0.0766783 43.5545      1.01203  44.3437      1.40627  42.7066      1.45756  6.65835  0.105602  6.5342   0.111533  
1 1 1 15 11 19 o 4.53592  0.0905909 20.5782      0.821825 19.136       1.11805  22.2731      1.21211  4.3737   0.127815  4.7186   0.128439  
1 1 1 15 11 20 o 25.9678  0.194804  674.934      10.1173  675.242      14.1377  674.611      14.4845  25.9623  0.272274  25.949   0.279096  
1 1 1 15 11 21 o 19.3041  0.14078   372.85       5.43526  371.564      7.67038  374.148      7.70295  19.2654  0.199072  19.3322  0.199225  
1 1 1 15 11 22 o 4.70619  0.115866  22.1578      1.09057  21.7046      1.53735  22.617       1.54731  4.65677  0.165066  4.75369  0.162748  
1 1 1 15 11 23 o 13.5447  0.112277  183.557      3.04152  183.253      4.3006   183.862      4.30211  13.5297  0.158932  13.5522  0.158724  
1 1 1 15 11 24 o 8.12407  0.0959332 66.0326      1.55874  64.7181      2.22295  67.3041      2.18628  8.04072  0.138231  8.20008  0.133308  
1 1 1 15 11 25 o 7.48453  0.0981541 56.0527      1.46927  54.1832      2.12398  57.7683      2.03463  7.35597  0.144372  7.59614  0.133925  
1 1 1 15 11 26 o 7.33512  0.093438  53.8419      1.37076  53.3554      2.02178  54.2557      1.86481  7.29878  0.138501  7.36104  0.126668  
1 1 1 15 11 27 o 1.49398  0.308071  2.3366       0.889061 2.3078       1.2497   2.3661       1.26509  1.4829   0.40854   1.50062  0.410003  
1 1 1 15 11 28 o 5.95018  0.0984663 35.4484      1.17179  37.91        1.69903  33.2154      1.61823  6.14963  0.138141  5.75603  0.140569  
1 1 1 15 11 29 o 2.38937  0.186666  5.73928      0.892031 6.81367      1.26938  4.69107      1.25381  2.59843  0.244259  2.15192  0.291323  
1 1 1 15 11 30 f 1.27315  0.324873  1.71578      0.830082 1.65785      1.1813   1.77228      1.16667  1.2782   0.409225  1.30992  0.404726  
1 1 1 15 11 31 o 1.17806  0.337608  1.45705      0.836643 1.976        1.16441  0.9032       1.20291  1.36851  0.400282  1.07863  0.407568  
1 1 1 15 11 32 o 0.784882 0.333901  0.0418958    0.91857  0.217523     1.3141   -0.12591     1.28451  0.961299 0.403694  0.891158 0.387263  
1 1 1 15 11 33 o 0.791092 0.327746  0.202777     0.847893 1.04553      1.1826   -0.688716    1.21632  1.10028  0.406536  0.777324 0.353955  
1 1 1 15 11 34 o 1.24186  0.358222  1.65376      0.938911 0.84669      1.33504  2.44362      1.32072  1.08417  0.424353  1.49296  0.42301   
1 1 1 15 11 35 o 0.769035 0.330835  -0.00809523  0.919653 0.847301     1.35476  -0.739145    1.25243  1.08545  0.426812  0.77966  0.356305  
1 1 1 15 11 36 o 4.58004  0.1244    21.1401      1.13952  19.7182      1.59542  22.6208      1.62812  4.40445  0.181115  4.72107  0.172431  
1 1 1 15 11 37 o 1.69267  0.319369  3.11843      1.04165  3.96576      1.44648  2.20566      1.50129  1.87695  0.397487  1.40338  0.461927  
1 1 1 15 11 38 o 1.61571  0.336684  2.89662      1.05218  3.05475      1.48806  2.73851      1.48795  1.61327  0.446395  1.52894  0.454036  
1 1 1 15 11 39 o 0.832322 0.355409  0.163525     1.04763  0.892017     1.51156  -0.509894    1.4533   1.0908   0.442649  0.855519 0.388848  
1 1 1 15 11 40 o 0.557886 0.272785  -1.73649     1.01438  -2.01292     1.43062  -1.457       1.43851  0.685974 0.332717  0.737771 0.352128  
1 1 1 15 11 41 o 1.07373  0.381217  1.30239      1.03033  0.466746     1.46008  2.13126      1.45416  0.965656 0.416154  1.30216  0.453808  
1 1 1 15 11 42 o 1.30534  0.371864  2.11612      1.01797  2.59379      1.45057  1.6526       1.42893  1.38696  0.454057  1.16233  0.442736  
1 1 1 15 11 43 o 0.827849 0.354235  0.442318     1.04453  0.4869       1.47772  0.3978       1.47667  0.918506 0.406484  0.905283 0.402862  
1 1 1 15 11 44 o 1.17706  0.393912  2.01095      1.09173  1.82851      1.51529  2.20787      1.57429  1.09231  0.443223  1.16171  0.459047  
1 1 1 15 11 45 o 0.896143 0.37979   1.02887      1.18073  0.287757     1.70272  1.71532      1.63873  0.845445 0.396538  1.01737  0.439687  
1 1 1 15 11 46 o 0.815126 0.365491  0.947753     1.23602  2.1415       1.74146  -0.264095    1.75462  0.958106 0.431535  0.735877 0.35957   
1 1 1 15 12 0  o 6.7344   0.0810479 45.3759      1.09126  45.3759      1.09126  45.3759      1.09126  6.73528  0.0572926 ?        ?         
1 1 1 15 12 1  o 16.2114  0.119211  262.911      3.86515  261.504      5.44054  264.346      5.49213  16.1648  0.168283  16.2524  0.168964  
1 1 1 15 12 2  o 17.9748  0.133554  323.251      4.80119  323.961      6.89526  322.582      6.68924  17.9899  0.191643  17.952   0.186309  
1 1 1 15 12 3  o 5.09186  0.0539704 25.9292      0.549619 24.7059      0.768708 27.2086      0.786143 4.97009  0.0773334 5.21578  0.0753621 
1 1 1 15 12 4  o 7.14344  0.0674592 51.0353      0.963782 51.7955      1.35047  50.2461      1.37588  7.19603  0.0938341 7.08752  0.0970634 
1 1 1 15 12 5  o 7.67466  0.0674695 58.9079      1.03561  60.6487      1.49427  57.2989      1.43659  7.78673  0.0959497 7.56865  0.0949036 
1 1 1 15 12 6  o 4.95172  0.0571384 24.5217      0.565867 24.5982      0.786869 24.4398      0.814351 4.95923  0.0793338 4.94321  0.0823707 
1 1 1 15 12 7  o 12.0398  0.0884073 144.986      2.12881  144.816      2.97157  145.166      3.0512   12.0315  0.123491  12.0459  0.126648  
1 1 1 15 12 8  o 5.54893  0.0599364 30.7934      0.665167 31.8724      0.96565  29.8193      0.917566 5.64504  0.0855309 5.46022  0.0840229 
1 1 1 15 12 9  o 4.59724  0.0582804 21.1364      0.535858 22.0224      0.779308 20.3417      0.738013 4.69241  0.0830392 4.50981  0.0818231 
1 1 1 15 12 10 o 14.536   0.107001  211.353      3.11075  213.956      4.44378  208.852      4.35605  14.6232  0.151943  14.4478  0.150751  
1 1 1 15 12 11 o 19.0886  0.13188   364.508      5.03482  361.786      7.07424  367.301      7.16729  19.0137  0.18603   19.158   0.187058  
1 1 1 15 12 12 o 17.2426  0.120061  297.382      4.14033  299.531      5.89134  295.285      5.81993  17.3024  0.170246  17.1794  0.169387  
1 1 1 15 12 13 f 8.093    0.0697448 65.5016      1.12889  67.7005      1.68039  63.6928      1.52402  8.22735  0.102122  7.9802   0.0954876 
1 1 1 15 12 14 o 12.0452  0.0878443 145.104      2.11621  146.147      3.00866  144.082      2.97713  12.0877  0.124451  12.0021  0.124026  
1 1 1 15 12 15 o 3.78343  0.0762827 14.3156      0.577221 13.7873      0.811981 14.8553      0.820715 3.71279  0.109349  3.85392  0.106478  
1 1 1 15 12 16 o 5.55625  0.0711077 30.8744      0.790185 29.4847      1.11616  32.2707      1.11882  5.42952  0.102786  5.68029  0.0984828 
1 1 1 15 12 17 o 11.6431  0.0920844 135.582      2.14429  135.533      2.96175  135.636      3.10854  11.6401  0.127222  11.6444  0.133478  
1 1 1 15 12 18 o 2.25546  0.144438  5.08929      0.651548 4.59262      0.916472 5.59685      0.926467 2.14202  0.213927  2.36483  0.195885  
1 1 1 15 12 19 o 3.42764  0.116828  11.7523      0.800887 11.3466      1.09248  12.2235      1.17754  3.3675   0.16221   3.49512  0.168455  
1 1 1 15 12 20 o 15.9375  0.121709  254.097      3.87947  254.338      5.43254  253.847      5.54188  15.9422  0.170383  15.9266  0.173982  
1 1 1 15 12 21 o 43.6094  0.303977  1906.83      26.5125  1893.48      36.4214  1921.87      38.6681  43.4039  0.419564  43.7157  0.442268  
1 1 1 15 12 22 o 14.9847  0.130107  224.674      3.89925  226.913      5.63794  222.621      5.39859  15.0545  0.187251  14.912   0.181015  
1 1 1 15 12 23 o 8.6791   0.0931218 75.3563      1.61643  77.09        2.31332  73.7022      2.25957  8.77661  0.131789  8.5816   0.131652  
1 1 1 15 12 24 o 3.13863  0.149857  9.86326      0.94069  9.85996      1.3356   9.86652      1.32514  3.13614  0.212937  3.13725  0.211194  
1 1 1 15 12 25 f 2.489    0.18753   6.20975      0.933524 6.35104      1.33696  6.07534      1.30406  2.51409  0.265894  2.45895  0.265166  
1 1 1 15 12 26 o 2.75579  0.166695  7.61261      0.918754 7.38254      1.33605  7.819        1.26545  2.70995  0.246508  2.79003  0.226781  
1 1 1 15 12 27 o 10.0845  0.0955862 101.799      1.92788  99.3145      2.7334   104.259      2.71952  9.95541  0.137282  10.2008  0.133299  
1 1 1 15 12 28 o 1.31634  0.338145  1.82607      0.894836 2.33198      1.29339  1.36158      1.23932  1.48835  0.417616  1.21027  0.419218  
1 1 1 15 12 29 o 4.39523  0.113665  19.3575      0.999166 20.1886      1.42134  18.5456      1.40487  4.48419  0.158483  4.2973   0.16346   
1 1 1 15 12 30 o 2.75477  0.162038  7.62713      0.892753 6.88415      1.24324  8.41811      1.28278  2.60956  0.238209  2.88773  0.222108  
1 1 1 15 12 31 o 4.07087  0.121699  16.6265      0.990842 17.5467      1.40564  15.7177      1.39693  4.17582  0.168307  3.95093  0.176785  
1 1 1 15 12 32 o 3.18197  0.157977  10.1948      1.00536  10.0788      1.41684  10.3123      1.4268   3.15301  0.22468   3.18952  0.22367   
1 1 1 15 12 33 o 2.58012  0.170404  6.71869      0.879325 5.34814      1.22383  8.18129      1.26426  2.28631  0.267643  2.83765  0.222766  
1 1 1 15 12 34 o 4.00858  0.135036  16.1737      1.08261  16.5324      1.54448  15.8271      1.51795  4.03941  0.191177  3.95207  0.192044  
1 1 1 15 12 35 o 0.76078  0.328531  -0.0364938   0.913498 -0.26315     1.28402  0.195799     1.29989  0.859707 0.379884  0.941711 0.398766  
1 1 1 15 12 36 o 1.79904  0.2717    3.35787      0.977596 2.53914      1.35974  4.23389      1.4065   1.50108  0.43047   1.96332  0.371705  
1 1 1 15 12 37 o 2.11937  0.249595  4.65779      1.05797  5.3399       1.4739   3.93279      1.51953  2.2399   0.32901   1.85763  0.418969  
1 1 1 15 12 38 o 1.99623  0.256515  4.16857      1.02412  4.96876      1.45937  3.39217      1.43753  2.14388  0.340358  1.70701  0.422741  
1 1 1 15 12 39 o 2.11288  0.261042  4.6984       1.1031   5.1243       1.56365  4.27643      1.55643  2.12423  0.381949  1.91411  0.418106  
1 1 1 15 12 40 o 2.95363  0.183866  9.00141      1.08615  7.84502      1.54863  10.1209      1.52375  2.69843  0.286951  3.09441  0.24621   
1 1 1 15 12 41 o 0.777252 0.342205  0.0201934    1.02995  -0.217142    1.4765   0.245127     1.43741  0.868281 0.393869  0.924305 0.405621  
1 1 1 15 12 42 o 0.78784  0.342712  0.186743     1.00788  0.463333     1.45611  -0.0676612   1.39649  0.940042 0.410416  0.850067 0.384458  
1 1 1 15 12 43 o 0.736648 0.333257  -0.0787853   1.05002  0.370795     1.47032  -0.54673     1.50005  0.898556 0.400871  0.792995 0.371983  
1 1 1 15 12 44 o 1.02901  0.392623  1.50822      1.12534  1.05557      1.59778  1.95379      1.58522  0.95923  0.423825  1.10171  0.451205  
1 1 1 15 12 45 o 0.715771 0.33313   -0.0418465   1.15715  -2.12743     1.62777  2.08889      1.64529  0.644227 0.320569  1.05576  0.447923  
1 1 1 15 12 46 o 0.703538 0.333336  0.018494     1.26034  1.16604      1.74043  -1.24678     1.82754  0.856401 0.401538  0.688945 0.342384  
1 1 1 15 13 0  o 2.08084  0.0907693 4.35506      0.376117 4.35506      0.376117 4.35506      0.376117 2.08388  0.0639488 ?        ?         
1 1 1 15 13 1  o 5.50366  0.0497781 30.2924      0.547924 30.944       0.785884 29.676       0.764329 5.56235  0.0706431 5.4472   0.070158  
1 1 1 15 13 2  o 8.62175  0.0684057 74.3443      1.17955  72.8036      1.64437  75.9775      1.69297  8.5314   0.0963719 8.71536  0.0971257 
1 1 1 15 13 3  f 14.0867  0.113771  198.508      3.20531  200.469      4.56793  196.606      4.49884  14.1535  0.161371  14.0166  0.160483  
1 1 1 15 13 4  o 19.0001  0.151371  361.233      5.75212  360.752      8.12686  361.716      8.14263  18.9814  0.214074  19.0068  0.214203  
1 1 1 15 13 5  o 5.0873   0.0659072 25.8836      0.670579 25.9341      0.913187 25.8245      0.987897 5.092    0.0896687 5.08113  0.0972123 
1 1 1 15 13 6  o 18.2542  0.138159  333.382      5.04398  333.269      6.95477  333.508      7.32623  18.247   0.190573  18.2525  0.200691  
1 1 1 15 13 7  o 13.3394  0.098297  177.983      2.62244  181.77       3.77703  174.458      3.64395  13.4788  0.14011   13.2051  0.137975  
1 1 1 15 13 8  o 7.80066  0.0677905 60.8572      1.05762  60.5941      1.52047  61.1039      1.47211  7.7833   0.0976751 7.81604  0.0941725 
1 1 1 15 13 9  o 4.22169  0.0593711 17.8242      0.501292 17.8355      0.736973 17.8144      0.68387  4.22283  0.0872607 4.22037  0.0810201 
1 1 1 15 13 10 o 13.8979  0.105472  193.201      2.93169  193.096      4.25017  193.297      4.0492   13.8922  0.15297   13.8998  0.145657  
1 1 1 15 13 11 o 8.69827  0.0798759 75.6691      1.38956  77.3831      1.96774  73.9641      1.96255  8.7957   0.111858  8.59915  0.114113  
1 1 1 15 13 12 o 22.1397  0.148823  490.348      6.58982  490.662      9.32387  490.033      9.31497  22.1426  0.210541  22.1284  0.210475  
1 1 1 15 13 13 f 24.1632  0.162137  584.087      7.83552  586.517      11.1227  581.692      11.04    24.2086  0.229726  24.1088  0.228962  
1 1 1 15 13 14 o 11.0944  0.0836792 123.098      1.85674  124.068      2.67076  122.191      2.58309  11.1374  0.119901  11.0529  0.116851  
1 1 1 15 13 15 o 18.8393  0.131579  355.01       4.95772  353.126      6.97434  356.935      7.04881  18.7867  0.185619  18.8877  0.186598  
1 1 1 15 13 16 o 7.05293  0.0721147 49.7481      1.01724  49.5455      1.45926  49.9395      1.41878  7.03822  0.103667  7.06619  0.100392  
1 1 1 15 13 17 o 14.757   0.108669  217.818      3.20725  218.211      4.49226  217.41       4.58049  14.7687  0.152088  14.7414  0.155362  
1 1 1 15 13 18 f 5.616    0.0801239 31.5437      0.899952 31.7842      1.25167  31.2863      1.29487  5.63702  0.111023  5.59263  0.115766  
1 1 1 15 13 19 o 2.04114  0.186433  4.16954      0.761073 4.71895      1.06958  3.60607      1.08319  2.17081  0.246355  1.89721  0.285469  
1 1 1 15 13 20 o 8.88805  0.086371  79.0127      1.53534  78.5864      2.16171  79.4466      2.18101  8.86318  0.121949  8.91154  0.12237   
1 1 1 15 13 21 o 5.77941  0.105517  33.4128      1.21965  34.6756      1.72601  32.1534      1.72369  5.88669  0.146603  5.66842  0.152043  
1 1 1 15 13 22 o 11.5847  0.106633  134.263      2.47063  138.584      3.47945  129.868      3.50872  11.7673  0.147843  11.3909  0.154014  
1 1 1 15 13 23 o 6.83943  0.0934092 46.7973      1.27773  46.4359      1.76564  47.1946      1.85138  6.81165  0.129604  6.86684  0.134806  
1 1 1 15 13 24 o 4.45203  0.115851  19.836       1.03155  19.7454      1.43332  19.9332      1.48574  4.44023  0.161402  4.46108  0.166523  
1 1 1 15 13 25 f 1.1521   0.350479  1.34495      0.879461 0.802912     1.25686  1.86494      1.23103  1.08118  0.414232  1.35551  0.415119  
1 1 1 15 13 26 o 5.98134  0.0974683 35.8081      1.16598  37.3234      1.72221  34.5258      1.5843   6.10365  0.141081  5.8709   0.134929  
1 1 1 15 13 27 f 6.30062  0.0934438 39.737       1.17751  40.4679      1.69235  39.0512      1.63941  6.35505  0.13315   6.24299  0.1313    
1 1 1 15 13 28 o 1.10568  0.352544  1.2223       0.877379 0.613268     1.25058  1.81264      1.23124  1.03134  0.40863   1.33307  0.416564  
1 1 1 15 13 29 o 0.95891  0.345238  0.791128     0.847645 1.57827      1.21814  0.052179     1.18026  1.26253  0.416093  0.891941 0.378937  
1 1 1 15 13 30 o 1.33762  0.32259   1.89814      0.854257 2.17953      1.2061   1.61488      1.21011  1.43275  0.403687  1.26846  0.414719  
1 1 1 15 13 31 o 1.25141  0.337305  1.66198      0.863437 0.412662     1.20416  2.98406      1.23874  0.966902 0.394165  1.6684   0.379663  
1 1 1 15 13 32 o 1.82804  0.250124  3.40104      0.914475 3.25122      1.28395  3.55529      1.30278  1.73638  0.380147  1.82046  0.370678  
1 1 1 15 13 33 o 3.46073  0.136712  12.0506      0.946248 13.6814      1.34761  10.4646      1.32898  3.67825  0.183186  3.21199  0.206878  
1 1 1 15 13 34 o 2.12049  0.221667  4.5762       0.940084 4.19434      1.33838  4.94807      1.32075  2.00776  0.333301  2.18841  0.301762  
1 1 1 15 13 35 o 0.703555 0.317239  -0.414093    0.943776 -1.07191     1.34681  0.22059      1.32291  0.771636 0.359233  0.952387 0.402734  
1 1 1 15 13 36 o 1.95585  0.252423  3.95267      0.987401 4.03648      1.36592  3.86093      1.429    1.91514  0.369811  1.85972  0.395995  
1 1 1 15 13 37 o 1.48381  0.338949  2.43707      0.98425  2.56607      1.37591  2.30188      1.40855  1.49526  0.434402  1.42217  0.445778  
1 1 1 15 13 38 o 4.37534  0.13806   19.4096      1.20812  17.1105      1.70834  21.7098      1.70874  4.0719   0.209772  4.6021   0.185648  
1 1 1 15 13 39 o 1.48325  0.365766  2.52088      1.07964  1.65025      1.51986  3.4077       1.53393  1.24436  0.460653  1.68463  0.447565  
1 1 1 15 13 40 o 2.32015  0.22202   5.6473       1.03024  6.60843      1.47163  4.72351      1.44276  2.46423  0.298597  2.0192   0.37114   
1 1 1 15 13 41 o 2.01648  0.254307  4.39233      1.02561  6.87365      1.46464  2.00503      1.43663  2.49176  0.293897  1.26587  0.450078  
1 1 1 15 13 42 f 0.648891 0.304646  -0.707388    1.01396  0.0285941    1.47504  -1.36673     1.39613  0.876773 0.395905  0.703015 0.338245  
1 1 1 15 13 43 o 0.56681  0.276135  -1.35487     1.00859  -0.850778    1.4196   -1.86866     1.43321  0.740881 0.352324  0.65844  0.322486  
1 1 1 15 13 44 o 0.616903 0.29924   -1.13301     1.15761  0.304928     1.67376  -2.45155     1.60276  0.867323 0.402501  0.638803 0.317902  
1 1 1 15 13 45 o 0.791302 0.355105  0.586221     1.16892  1.67554      1.64321  -0.529745    1.66319  0.968143 0.428523  0.741788 0.359462  
1 1 1 15 13 46 o 0.740553 0.346069  0.349205     1.26495  0.472365     1.68787  0.1914       1.91058  0.790469 0.378268  0.784121 0.381629  
1 1 1 15 14 0  o 9.53266  0.107439  90.9208      2.04776  90.9208      2.04776  90.9208      2.04776  9.53395  0.0759494 ?        ?         
1 1 1 15 14 1  o 12.2006  0.0948959 148.891      2.31557  149.88       3.4344   148.067      3.1354   12.2392  0.140304  12.1655  0.128865  
1 1 1 15 14 2  o 8.01958  0.0655039 64.3212      1.05063  64.6845      1.47082  63.9428      1.50127  8.04174  0.0914492 7.99545  0.0938829 
1 1 1 15 14 3  o 15.3311  0.12928   235.15       3.96402  235.158      5.69672  235.143      5.51943  15.3277  0.185832  15.3276  0.180049  
1 1 1 15 14 4  o 8.19291  0.0788499 67.1349      1.29202  68.824       1.8582   65.5541      1.79769  8.29463  0.112012  8.09522  0.111034  
1 1 1 15 14 5  o 2.63333  0.088656  6.93587      0.466922 6.0243       0.63804  7.98693      0.685125 2.4539   0.130005  2.82557  0.121237  
1 1 1 15 14 6  o 12.4002  0.0952935 153.801      2.36332  155.481      3.41564  152.259      3.27339  12.4662  0.136996  12.3365  0.13267   
1 1 1 15 14 7  o 6.10578  0.055236  37.2833      0.674517 36.7637      0.946855 37.8187      0.961128 6.06285  0.0780866 6.14922  0.0781503 
1 1 1 15 14 8  o 3.77011  0.0577388 14.2149      0.435364 13.5509      0.600898 14.9485      0.631648 3.68086  0.0816246 3.86602  0.0816922 
1 1 1 15 14 9  o 12.0532  0.0877895 145.306      2.11629  146.978      3.05792  143.77       2.93184  12.1212  0.12614   11.9883  0.122279  
1 1 1 15 14 10 o 11.7082  0.0915783 137.104      2.14443  137.192      3.03406  137.016      3.03129  11.7109  0.12954   11.7034  0.129505  
1 1 1 15 14 11 o 13.2602  0.0931042 175.861      2.46917  175.964      3.49547  175.758      3.4884   13.2631  0.131774  13.2553  0.131585  
1 1 1 15 14 12 o 24.2973  0.162823  590.603      7.91234  590.224      11.1833  590.983      11.1962  24.2844  0.230257  24.3     0.230375  
1 1 1 15 14 13 o 18.3631  0.129351  337.286      4.75056  335.642      6.76414  338.885      6.6734   18.3159  0.184652  18.4043  0.1813    
1 1 1 15 14 14 o 31.3048  0.211108  980.641      13.2174  983.413      18.5445  977.779      18.8435  31.3386  0.295873  31.2479  0.301517  
1 1 1 15 14 15 o 31.5121  0.212619  993.691      13.4001  998.967      19.2419  988.724      18.6722  31.5837  0.304617  31.4224  0.297116  
1 1 1 15 14 16 o 22.03    0.157975  485.535      6.96037  479.471      9.85688  491.566      9.83007  21.8869  0.225177  22.1616  0.221782  
1 1 1 15 14 17 o 10.2845  0.0840388 105.785      1.72859  105.383      2.44033  106.191      2.44888  10.2641  0.118877  10.3034  0.118838  
1 1 1 15 14 18 o 3.46481  0.106392  12.0078      0.737257 11.9826      1.01454  12.0361      1.07321  3.46079  0.146577  3.46841  0.154712  
1 1 1 15 14 19 o 14.291   0.114791  204.295      3.28096  205.446      4.65232  203.157      4.62773  14.3289  0.162341  14.2488  0.16239   
1 1 1 15 14 20 o 8.51858  0.0886045 72.5816      1.50957  71.9064      2.16787  73.2172      2.1033   8.47787  0.127855  8.55493  0.122929  
1 1 1 15 14 21 o 18.4333  0.142646  340.006      5.25889  340.927      7.45592  339.093      7.41862  18.4523  0.202032  18.4027  0.201563  
1 1 1 15 14 22 o 9.72214  0.0976103 94.5565      1.89796  97.2216      2.69668  91.9404      2.67174  9.85633  0.136799  9.58475  0.139375  
1 1 1 15 14 23 o 5.88403  0.0986453 34.6389      1.16086  35.6718      1.65203  33.6313      1.63158  5.96971  0.138368  5.79636  0.140742  
1 1 1 15 14 24 o 3.18791  0.152859  10.1773      0.974601 11.0593      1.39103  9.32684      1.3659   3.32108  0.209424  3.0493   0.22397   
1 1 1 15 14 25 o 5.94721  0.0987967 35.3953      1.17513  35.769       1.68527  35.0417      1.63945  5.9762   0.140998  5.91528  0.138578  
1 1 1 15 14 26 o 1.30999  0.320389  1.80297      0.833607 1.33007      1.19762  2.24741      1.16103  1.19742  0.41236   1.46238  0.389775  
1 1 1 15 14 27 o 2.3254   0.181548  5.42857      0.844344 4.20012      1.21139  6.58924      1.1775   2.03876  0.29709   2.55892  0.230077  
1 1 1 15 14 28 o 1.55967  0.288811  2.53853      0.867038 2.64848      1.22412  2.42785      1.22824  1.57925  0.38949   1.5135   0.39976   
1 1 1 15 14 29 o 6.34687  0.0945928 40.3452      1.20074  40.039       1.68946  40.6577      1.70687  6.31779  0.133706  6.36636  0.134054  
1 1 1 15 14 30 o 3.75949  0.128814  14.1816      0.96855  14.1868      1.38232  14.1766      1.35749  3.75365  0.18413   3.75274  0.180867  
1 1 1 15 14 31 o 3.58986  0.133312  12.9423      0.957146 13.9758      1.35736  11.9202      1.34989  3.72355  0.182266  3.43663  0.196398  
1 1 1 15 14 32 o 0.567897 0.270855  -1.06455     0.847213 -1.60673     1.18944  -0.506218    1.20703  0.658652 0.315754  0.800809 0.360056  
1 1 1 15 14 33 o 6.23483  0.107408  39.0275      1.33934  38.9794      1.89431  39.0756      1.89393  6.21834  0.152317  6.22608  0.152096  
1 1 1 15 14 34 o 1.55471  0.303225  2.57766      0.909212 3.32788      1.27169  1.79315      1.30043  1.74803  0.374584  1.30857  0.429918  
1 1 1 15 14 35 o 0.935436 0.353664  0.711239     0.906196 0.861713     1.26154  0.550822     1.30255  1.062    0.413154  1.00664  0.410091  
1 1 1 15 14 36 o 1.00403  0.36524   0.9369       0.95086  0.769315     1.3212   1.11697      1.36954  1.04762  0.418455  1.13245  0.43283   
1 1 1 15 14 37 o 2.85572  0.181533  8.32157      1.03682  7.6208       1.45361  9.04732      1.47929  2.70006  0.26918   2.95044  0.25069   
1 1 1 15 14 38 o 1.22884  0.379638  1.70071      1.02655  0.784011     1.44545  2.63357      1.45814  1.0594   0.431861  1.4919   0.450776  
1 1 1 15 14 39 o 1.14595  0.388186  1.44797      1.06022  0.883144     1.4974   2.01579      1.50136  1.07897  0.439649  1.32141  0.461058  
1 1 1 15 14 40 o 0.917955 0.363781  0.698766     0.991313 0.0867462    1.40489  1.30565      1.39898  0.905847 0.399192  1.12628  0.435712  
1 1 1 15 14 41 o 1.97101  0.259653  4.21488      1.02355  4.40389      1.4309   4.01682      1.46475  1.90334  0.389329  1.79144  0.416367  
1 1 1 15 14 42 o 0.76968  0.34084   0.0600685    1.04122  -0.778619    1.48808  0.864556     1.45742  0.780861 0.367229  0.99357  0.421559  
1 1 1 15 14 43 f 2.35444  0.229441  6.11176      1.08041  5.82193      1.49919  6.42493      1.55838  2.17388  0.344819  2.28921  0.340376  
1 1 1 15 14 44 o 0.802592 0.355258  0.460252     1.1295   0.383207     1.61121  0.534704     1.58386  0.86088  0.397742  0.875312 0.400295  
1 1 1 15 14 45 o 0.570286 0.282651  -1.54906     1.21153  -2.3687      1.69186  -0.686395    1.73569  0.626157 0.313247  0.729278 0.356644  
1 1 1 15 14 46 o 0.655193 0.319095  -0.560582    1.34305  -1.33291     2.02125  0.0499785    1.79715  0.697192 0.348353  0.754068 0.367584  
1 1 1 15 15 0  o 14.8343  0.219852  220.344      6.51947  220.344      6.51947  220.344      6.51947  14.8391  0.15537   ?        ?         
1 1 1 15 15 1  o 1.2264   0.158809  1.57885      0.374895 1.57885      0.374895 1.57885      0.374895 1.24238  0.108595  ?        ?         
1 1 1 15 15 2  f 10.1345  0.116053  102.766      2.35157  102.766      2.35157  102.766      2.35157  10.1359  0.0820378 ?        ?         
1 1 1 15 15 3  o 1.25532  0.255815  1.75969      0.568059 1.75969      0.568059 1.75969      0.568059 1.29742  0.16032   ?        ?         
1 1 1 15 15 4  o 13.6038  0.166788  185.214      4.53638  185.214      4.53638  185.214      4.53638  13.6066  0.117893  ?        ?         
1 1 1 15 15 5  o 4.82821  0.0895614 23.338       0.864172 23.338       0.864172 23.338       0.864172 4.82958  0.0632869 ?        ?         
1 1 1 15 15 6  o 20.6179  0.209099  425.457      8.62036  425.457      8.62036  425.457      8.62036  20.6222  0.147807  ?        ?         
1 1 1 15 15 7  o 7.46369  0.0864677 55.7341      1.29035  55.7341      1.29035  55.7341      1.29035  7.4646   0.0611251 ?        ?         
1 1 1 15 15 8  o 7.33065  0.0920701 53.7692      1.34939  53.7692      1.34939  53.7692      1.34939  7.3317   0.0650825 ?        ?         
1 1 1 15 15 9  o 8.54208  0.103128  73.0072      1.76127  73.0072      1.76127  73.0072      1.76127  8.54325  0.0729005 ?        ?         
1 1 1 15 15 10 o 10.216   0.111007  104.416      2.26749  104.416      2.26749  104.416      2.26749  10.2172  0.0784741 ?        ?         
1 1 1 15 15 11 o 8.94966  0.0987548 80.132       1.76716  80.132       1.76716  80.132       1.76716  8.95065  0.0698129 ?        ?         
1 1 1 15 15 12 o 15.6381  0.152896  244.662      4.78098  244.662      4.78098  244.662      4.78098  15.6399  0.10809   ?        ?         
1 1 1 15 15 13 o 13.088   0.134486  171.373      3.51948  171.373      3.51948  171.373      3.51948  13.0895  0.0950743 ?        ?         
1 1 1 15 15 14 o 40.2931  0.378781  1625.7       30.5185  1625.7       30.5185  1625.7       30.5185  40.3063  0.267724  ?        ?         
1 1 1 15 15 15 o 2.92435  0.132062  8.60526      0.768807 8.60526      0.768807 8.60526      0.768807 2.92894  0.0930152 ?        ?         
1 1 1 15 15 16 o 13.4717  0.144276  181.585      3.88628  181.585      3.88628  181.585      3.88628  13.4735  0.101991  ?        ?         
1 1 1 15 15 17 o 1.19544  0.407705  1.85426      0.872705 1.85426      0.872705 1.85426      0.872705 1.28291  0.273906  ?        ?         
1 1 1 15 15 18 o 1.3334   0.438252  2.27299      1.03307  2.27299      1.03307  2.27299      1.03307  1.42755  0.289001  ?        ?         
1 1 1 15 15 19 o 3.08182  0.187165  9.60633      1.14387  9.60633      1.14387  9.60633      1.14387  3.09073  0.131389  ?        ?         
1 1 1 15 15 20 o 6.10535  0.129655  37.3346      1.58157  37.3346      1.58157  37.3346      1.58157  6.10778  0.0915966 ?        ?         
1 1 1 15 15 21 o 17.6278  0.204773  311.083      7.21719  311.083      7.21719  311.083      7.21719  17.6326  0.144734  ?        ?         
1 1 1 15 15 22 o 9.73583  0.136838  94.8817      2.66328  94.8817      2.66328  94.8817      2.66328  9.73827  0.0967133 ?        ?         
1 1 1 15 15 23 o 8.99193  0.131936  80.9447      2.37157  80.9447      2.37157  80.9447      2.37157  8.99444  0.0932444 ?        ?         
1 1 1 15 15 24 o 1.29744  0.506188  2.32124      1.24845  2.32124      1.24845  2.32124      1.24845  1.39871  0.36601   ?        ?         
1 1 1 15 15 25 o 8.35863  0.133541  69.9702      2.23116  69.9702      2.23116  69.9702      2.23116  8.36171  0.0943658 ?        ?         
1 1 1 15 15 26 o 1.11455  0.49886   1.81605      1.17609  1.81605      1.17609  1.81605      1.17609  1.18671  0.394778  ?        ?         
1 1 1 15 15 27 o 5.143    0.146064  26.5496      1.49967  26.5496      1.49967  26.5496      1.49967  5.14782  0.103091  ?        ?         
1 1 1 15 15 28 o 1.79874  0.39894   3.70311      1.25281  3.70311      1.25281  3.70311      1.25281  1.87358  0.245877  ?        ?         
1 1 1 15 15 29 o 5.14847  0.139535  26.6117      1.4344   26.6117      1.4344   26.6117      1.4344   5.15357  0.0984864 ?        ?         
1 1 1 15 15 30 o 4.38884  0.162273  19.3936      1.41996  19.3936      1.41996  19.3936      1.41996  4.39638  0.114367  ?        ?         
1 1 1 15 15 31 o 1.65461  0.435258  3.29266      1.24163  3.29266      1.24163  3.29266      1.24163  1.74824  0.270457  ?        ?         
1 1 1 15 15 32 o 0.833442 0.475009  0.971048     1.22035  0.971048     1.22035  0.971048     1.22035  0.802237 0.417694  ?        ?         
1 1 1 15 15 33 o 2.14892  0.353348  5.06482      1.39474  5.06482      1.39474  5.06482      1.39474  2.20568  0.229237  ?        ?         
1 1 1 15 15 34 o 1.33634  0.495098  2.4675       1.22361  2.4675       1.22361  2.4675       1.22361  1.45255  0.343261  ?        ?         
1 1 1 15 15 35 o 0.992002 0.504516  1.54533      1.24162  1.54533      1.24162  1.54533      1.24162  1.03166  0.428941  ?        ?         
1 1 1 15 15 36 f 0.794229 0.479154  0.78111      1.35685  0.78111      1.35685  0.78111      1.35685  0.737815 0.420936  ?        ?         
1 1 1 15 15 37 o 0.566952 0.388813  -0.605642    1.33994  -0.605642    1.33994  -0.605642    1.33994  0.456824 0.317253  ?        ?         
1 1 1 15 15 38 o 0.567844 0.392148  -0.717223    1.40794  -0.717223    1.40794  -0.717223    1.40794  0.457302 0.318451  ?        ?         
1 1 1 15 15 39 o 1.34113  0.557425  2.77306      1.48284  2.77306      1.48284  2.77306      1.48284  1.48627  0.408523  ?        ?         
1 1 1 15 15 40 o 1.03537  0.536025  1.84888      1.41592  1.84888      1.41592  1.84888      1.41592  1.10251  0.458002  ?        ?         
1 1 1 15 15 41 o 2.94369  0.261016  9.23819      1.50891  9.23819      1.50891  9.23819      1.50891  2.99262  0.17975   ?        ?         
1 1 1 15 15 42 o 0.869288 0.513562  1.35383      1.50252  1.35383      1.50252  1.35383      1.50252  0.874883 0.461227  ?        ?         
1 1 1 15 15 43 o 0.647081 0.431083  0.204402     1.44383  0.204402     1.44383  0.204402     1.44383  0.572802 0.374543  ?        ?         
1 1 1 15 15 44 o 0.832447 0.509869  1.48858      1.58857  1.48858      1.58857  1.48858      1.58857  0.862603 0.468635  ?        ?         
1 1 1 15 15 45 o 0.695188 0.463659  0.911664     1.68174  0.911664     1.68174  0.911664     1.68174  0.677479 0.426646  ?        ?         
1 1 1 15 15 46 o 0.433765 0.321248  -2.73056     1.76368  -2.73056     1.76368  -2.73056     1.76368  0.345912 0.257354  ?        ?         
1 1 1 16 0  0  o 8.35177  0.121502  69.8076      2.02854  69.8076      2.02854  69.8076      2.02854  8.35343  0.085877  ?        ?         
1 1 1 16 0  1  o 39.2345  0.374468  1542.15      29.3781  1542.15      29.3781  1542.15      29.3781  39.2522  0.264643  ?        ?         
1 1 1 16 0  2  f 10.6288  0.102524  113.016      2.17896  113.016      2.17896  113.016      2.17896  10.6298  0.0724809 ?        ?         
1 1 1 16 0  3  o 4.12914  0.0575526 17.0604      0.475078 17.0604      0.475078 17.0604      0.475078 4.12978  0.0406806 ?        ?         
1 1 1 16 0  4  o 14.2401  0.135698  202.879      3.86393  202.879      3.86393  202.879      3.86393  14.2418  0.0959317 ?        ?         
1 1 1 16 0  5  o 2.27372  0.0762487 5.18756      0.345852 5.18756      0.345852 5.18756      0.345852 2.27568  0.0538001 ?        ?         
1 1 1 16 0  6  o 0.778712 0.249863  0.767624     0.342139 0.767624     0.342139 0.767624     0.342139 0.832007 0.163546  ?        ?         
1 1 1 16 0  7  o 0.411042 0.250729  0.159031     0.380788 0.159031     0.380788 0.159031     0.380788 0.368596 0.217567  ?        ?         
1 1 1 16 0  8  o 13.8096  0.145932  190.822      4.02953  190.822      4.02953  190.822      4.02953  13.8117  0.103161  ?        ?         
1 1 1 16 0  9  o 16.2108  0.169823  262.978      5.50456  262.978      5.50456  262.978      5.50456  16.2137  0.120046  ?        ?         
1 1 1 16 0  10 o 0.487155 0.294528  0.241462     0.515148 0.241462     0.515148 0.241462     0.515148 0.440367 0.256091  ?        ?         
1 1 1 16 0  11 o 6.85204  0.107905  46.9928      1.47791  46.9928      1.47791  46.9928      1.47791  6.85359  0.0762616 ?        ?         
1 1 1 16 0  12 o 9.63919  0.102097  92.9577      1.96777  92.9577      1.96777  92.9577      1.96777  9.64032  0.0721759 ?        ?         
1 1 1 16 0  13 o 11.0162  0.121948  121.424      2.68608  121.424      2.68608  121.424      2.68608  11.0177  0.0862069 ?        ?         
1 1 1 16 0  14 f 18.9619  0.186269  359.803      7.06248  359.803      7.06248  359.803      7.06248  18.9652  0.131675  ?        ?         
1 1 1 16 0  15 o 11.7101  0.13724   137.207      3.21319  137.207      3.21319  137.207      3.21319  11.7118  0.0970141 ?        ?         
1 1 1 16 0  16 o 6.19668  0.095988  38.4293      1.18897  38.4293      1.18897  38.4293      1.18897  6.19791  0.067842  ?        ?         
1 1 1 16 0  17 o 11.7351  0.132767  137.784      3.11517  137.784      3.11517  137.784      3.11517  11.7366  0.0938546 ?        ?         
1 1 1 16 0  18 o 6.93507  0.116378  48.1407      1.61315  48.1407      1.61315  48.1407      1.61315  6.93671  0.0822459 ?        ?         
1 1 1 16 0  19 o 1.10873  0.415802  1.65864      0.857432 1.65864      0.857432 1.65864      0.857432 1.19322  0.293719  ?        ?         
1 1 1 16 0  20 o 3.76242  0.140614  14.2178      1.05474  14.2178      1.05474  14.2178      1.05474  3.76656  0.0991602 ?        ?         
1 1 1 16 0  21 o 6.69209  0.118769  44.8332      1.5885   44.8332      1.5885   44.8332      1.5885   6.69393  0.0839297 ?        ?         
1 1 1 16 0  22 o 1.61811  0.483607  3.23619      1.36071  3.23619      1.36071  3.23619      1.36071  1.72085  0.309528  ?        ?         
1 1 1 16 0  23 o 2.32719  0.307897  5.70169      1.37707  5.70169      1.37707  5.70169      1.37707  2.35942  0.210187  ?        ?         
1 1 1 16 0  24 o 4.35451  0.195749  19.0891      1.69694  19.0891      1.69694  19.0891      1.69694  4.36186  0.137859  ?        ?         
1 1 1 16 0  25 o 10.5632  0.15005   111.707      3.16858  111.707      3.16858  111.707      3.16858  10.5662  0.106047  ?        ?         
1 1 1 16 0  26 o 1.62521  0.529265  3.37719      1.51735  3.37719      1.51735  3.37719      1.51735  1.74078  0.34742   ?        ?         
1 1 1 16 0  27 o 7.98253  0.134163  63.8157      2.14055  63.8157      2.14055  63.8157      2.14055  7.98549  0.0948019 ?        ?         
1 1 1 16 0  28 o 2.11838  0.381855  4.92696      1.4605   4.92696      1.4605   4.92696      1.4605   2.1766   0.244242  ?        ?         
1 1 1 16 0  29 o 14.2437  0.159599  203.261      4.54527  203.261      4.54527  203.261      4.54527  14.2503  0.112785  ?        ?         
1 1 1 16 0  30 o 1.16571  0.522458  1.9975       1.28999  1.9975       1.28999  1.9975       1.28999  1.24306  0.413418  ?        ?         
1 1 1 16 0  31 f 0.912223 0.496752  1.21759      1.2645   1.21759      1.2645   1.21759      1.2645   0.902041 0.432927  ?        ?         
1 1 1 16 0  32 o 0.775078 0.466541  0.672794     1.27977  0.672794     1.27977  0.672794     1.27977  0.709513 0.407349  ?        ?         
1 1 1 16 0  33 o 5.82821  0.161965  34.1587      1.88463  34.1587      1.88463  34.1587      1.88463  5.83642  0.114265  ?        ?         
1 1 1 16 0  34 o 3.95737  0.199738  15.8737      1.57169  15.8737      1.57169  15.8737      1.57169  3.97089  0.140335  ?        ?         
1 1 1 16 0  35 o 1.94913  0.427627  4.39938      1.45752  4.39938      1.45752  4.39938      1.45752  2.03656  0.262842  ?        ?         
1 1 1 16 0  36 o 0.949422 0.522409  1.36535      1.41052  1.36535      1.41052  1.36535      1.41052  0.944142 0.45679   ?        ?         
1 1 1 16 0  37 o 0.807621 0.495004  0.724578     1.49932  0.724578     1.49932  0.724578     1.49932  0.738983 0.433709  ?        ?         
1 1 1 16 0  38 o 1.33223  0.541758  2.62174      1.40975  2.62174      1.40975  2.62174      1.40975  1.46023  0.395633  ?        ?         
1 1 1 16 0  39 o 1.00228  0.551233  1.61957      1.56947  1.61957      1.56947  1.61957      1.56947  1.01459  0.482824  ?        ?         
1 1 1 16 0  40 f 2.57681  0.309211  7.14952      1.54161  7.14952      1.54161  7.14952      1.54161  2.62749  0.210549  ?        ?         
1 1 1 16 0  41 o 0.740138 0.468144  0.505986     1.44825  0.505986     1.44825  0.505986     1.44825  0.664846 0.4083    ?        ?         
1 1 1 16 0  42 o 0.95722  0.530768  1.59964      1.4716   1.59964      1.4716   1.59964      1.4716   0.988176 0.467829  ?        ?         
1 1 1 16 0  43 o 0.515274 0.365423  -1.19484     1.44874  -1.19484     1.44874  -1.19484     1.44874  0.409111 0.29386   ?        ?         
1 1 1 16 0  44 o 0.717053 0.461959  0.603556     1.47825  0.603556     1.47825  0.603556     1.47825  0.661299 0.409343  ?        ?         
1 1 1 16 0  45 o 0.642554 0.446511  -0.293221    1.90202  -0.293221    1.90202  -0.293221    1.90202  0.555984 0.38373   ?        ?         
1 1 1 16 0  46 o 0.486857 0.35264   -1.76365     1.67166  -1.76365     1.67166  -1.76365     1.67166  0.390957 0.285997  ?        ?         
1 1 1 16 0  47 o 0.670717 0.479962  0.101903     2.66302  0.101903     2.66302  0.101903     2.66302  0.619063 0.433033  ?        ?         
1 1 1 16 1  0  o 21.5578  0.202158  465.072      8.7144   465.072      8.7144   465.072      8.7144   21.5616  0.142907  ?        ?         
1 1 1 16 1  1  o 26.9974  0.182407  729.405      9.84902  724.797      13.5573  734.555      14.3323  26.9026  0.251969  27.0811  0.264617  
1 1 1 16 1  2  o 4.34553  0.0409868 18.8843      0.356218 19.6098      0.495981 18.1115      0.511935 4.42813  0.0560035 4.25558  0.0601487 
1 1 1 16 1  3  o 31.9585  0.213499  1022.42      13.6462  1021.46      19.0848  1023.43      19.5199  31.927   0.298881  31.9563  0.305416  
1 1 1 16 1  4  o 16.3502  0.109665  267.404      3.58607  269.244      5.10128  265.607      5.04218  16.4039  0.15549   16.2928  0.154736  
1 1 1 16 1  5  o 22.8035  0.154929  520.302      7.06582  516.568      9.71912  524.487      10.2905  22.7155  0.213932  22.8876  0.224806  
1 1 1 16 1  6  o 3.4681   0.0474548 12.0284      0.329156 11.4463      0.463873 12.6186      0.467138 3.38305  0.0685585 3.55208  0.0657555 
1 1 1 16 1  7  o 15.1983  0.112456  231.062      3.41827  230.373      4.82069  231.759      4.84777  15.1731  0.158856  15.2187  0.15927   
1 1 1 16 1  8  o 14.7892  0.108735  218.789      3.21622  220.577      4.75755  217.283      4.36464  14.8468  0.160221  14.7363  0.148092  
1 1 1 16 1  9  o 10.2871  0.079196  105.843      1.6294   106.551      2.34583  105.183      2.26494  10.3206  0.113649  10.2542  0.11044   
1 1 1 16 1  10 o 2.54303  0.0800507 6.46816      0.407143 7.1963       0.577861 5.75039      0.573736 2.68216  0.107723  2.39752  0.119652  
1 1 1 16 1  11 o 15.0125  0.113004  225.453      3.39295  224.217      4.76735  226.72       4.82996  14.9688  0.159244  15.052   0.160443  
1 1 1 16 1  12 o 4.17386  0.0626639 17.4228      0.5231   17.4133      0.734834 17.4327      0.744819 4.17251  0.0880567 4.17482  0.0892037 
1 1 1 16 1  13 o 9.48645  0.075934  90.0053      1.44069  90.1975      2.04126  89.8146      2.03364  9.4959   0.107481  9.47572  0.107308  
1 1 1 16 1  14 f 18.38    0.129122  337.952      4.74653  337.898      6.63515  338.009      6.79284  18.3751  0.180548  18.3778  0.184811  
1 1 1 16 1  15 o 25.5264  0.178472  651.973      9.1115   654.066      13.2341  650.086      12.5632  25.5588  0.258896  25.4824  0.246508  
1 1 1 16 1  16 o 12.1957  0.0923801 148.754      2.25327  148.654      3.15054  148.858      3.22395  12.1908  0.129218  12.1991  0.132139  
1 1 1 16 1  17 o 16.3643  0.115352  267.844      3.77531  267.825      5.28267  267.865      5.39737  16.3621  0.16143   16.3632  0.164924  
1 1 1 16 1  18 o 8.71349  0.0751485 75.9313      1.30961  76.0651      1.85425  75.7982      1.8499   8.72078  0.106312  8.70546  0.106249  
1 1 1 16 1  19 o 6.85144  0.0734085 46.9466      1.00591  46.0846      1.41057  47.8386      1.43488  6.78793  0.103903  6.91589  0.103738  
1 1 1 16 1  20 o 7.37924  0.0774661 54.4598      1.14328  53.4786      1.60089  55.4811      1.63329  7.31201  0.10947   7.44765  0.109651  
1 1 1 16 1  21 o 7.41182  0.083628  54.9434      1.23967  56.8765      1.76901  53.078       1.73773  7.54052  0.1173    7.28433  0.119279  
1 1 1 16 1  22 o 5.37943  0.109536  28.9468      1.17848  28.7714      1.62902  29.1394      1.70696  5.36236  0.151894  5.39641  0.158157  
1 1 1 16 1  23 o 6.10291  0.102824  37.2569      1.25505  37.8132      1.82129  36.7539      1.73188  6.14727  0.148138  6.06069  0.142878  
1 1 1 16 1  24 o 8.82291  0.103244  77.8737      1.82183  78.3385      2.60342  77.4278      2.55033  8.84743  0.147128  8.79595  0.144972  
1 1 1 16 1  25 o 15.65    0.125159  245.104      3.91747  247.923      5.71122  242.599      5.38357  15.7332  0.181502  15.5645  0.172944  
1 1 1 16 1  26 o 7.10254  0.104765  50.4785      1.48819  49.4918      2.10149  51.4712      2.10777  7.03043  0.149457  7.1698   0.146989  
1 1 1 16 1  27 o 2.74534  0.180152  7.55479      0.989158 6.74378      1.36656  8.44735      1.43361  2.59022  0.263792  2.89988  0.247185  
1 1 1 16 1  28 o 8.76486  0.10258   76.9033      1.79819  77.822       2.50674  75.9295      2.58094  8.81286  0.14222   8.70429  0.148257  
1 1 1 16 1  29 o 6.56228  0.0993604 43.1142      1.30406  43.415       1.84954  42.8167      1.83895  6.58124  0.140516  6.53572  0.140685  
1 1 1 16 1  30 o 4.65074  0.117022  21.6726      1.08848  22.0698      1.53974  21.2759      1.53894  4.68856  0.164201  4.60313  0.167162  
1 1 1 16 1  31 o 4.54573  0.116731  20.714       1.06126  19.9248      1.44866  21.6282      1.55911  4.45315  0.162655  4.63886  0.168049  
1 1 1 16 1  32 o 0.869976 0.345866  0.426832     0.898705 0.937104     1.25372  -0.112513    1.28894  1.09979  0.415932  0.898812 0.389218  
1 1 1 16 1  33 o 2.31524  0.218784  5.42632      1.01308  4.61522      1.40629  6.30137      1.46067  2.11864  0.331884  2.48291  0.294146  
1 1 1 16 1  34 o 0.812442 0.346612  0.038709     0.994842 0.143499     1.39453  -0.0698905   1.41965  0.969743 0.411943  0.942419 0.408294  
1 1 1 16 1  35 o 0.865955 0.357065  0.295256     0.999453 0.7754       1.41095  -0.188287    1.41594  1.0883   0.433145  0.918584 0.402848  
1 1 1 16 1  36 o 0.622897 0.296143  -1.17691     1.00241  -1.79708     1.38086  -0.485996    1.45748  0.709381 0.340107  0.885619 0.396998  
1 1 1 16 1  37 o 3.39759  0.165862  11.7033      1.12706  12.9231      1.58928  10.4692      1.59858  3.55058  0.223805  3.18575  0.250896  
1 1 1 16 1  38 o 2.71277  0.191916  7.51777      1.04125  7.76586      1.44427  7.24924      1.50255  2.73132  0.26439   2.63027  0.285627  
1 1 1 16 1  39 o 1.84524  0.29922   3.6131       1.10427  3.34414      1.5612   3.88238      1.56214  1.68291  0.45354   1.82493  0.433792  
1 1 1 16 1  40 o 1.0193   0.381525  0.977665     1.0483   0.31716      1.4973   1.61271      1.46816  0.987323 0.423349  1.23427  0.453368  
1 1 1 16 1  41 o 2.22034  0.238292  5.18868      1.05818  4.99653      1.50956  5.37432      1.48376  2.08167  0.376383  2.20576  0.336337  
1 1 1 16 1  42 o 1.16086  0.383653  1.60558      1.03561  3.93596      1.45029  -0.818867    1.47927  1.78034  0.414648  0.797467 0.373238  
1 1 1 16 1  43 o 1.10495  0.392872  1.48742      1.09465  2.77542      1.59156  0.331173     1.50796  1.40787  0.475612  0.930578 0.411379  
1 1 1 16 1  44 o 1.65121  0.340479  3.38551      1.08599  3.69875      1.55901  3.09025      1.51364  1.58613  0.462921  1.44059  0.463429  
1 1 1 16 1  45 o 0.774833 0.355084  0.0580577    1.25356  -0.652765    1.70157  0.901752     1.8538   0.785191 0.376717  0.955614 0.435631  
1 1 1 16 1  46 o 0.633555 0.307772  -0.93963     1.23254  -1.32329     1.81284  -0.609826    1.6808   0.718375 0.353802  0.745839 0.361405  
1 1 1 16 1  47 o 0.970613 0.433212  2.14288      1.71885  0.225606     2.21322  5.05685      2.72852  0.808351 0.397392  1.12632  0.519316  
1 1 1 16 2  0  o 8.91539  0.0876299 79.5142      1.56217  79.5142      1.56217  79.5142      1.56217  8.91623  0.0619511 ?        ?         
1 1 1 16 2  1  o 7.71943  0.0562082 59.5939      0.86779  58.7087      1.20976  60.5323      1.2455   7.6616   0.0789497 7.77967  0.0800482 
1 1 1 16 2  2  o 27.3571  0.181076  748.981      9.90741  737.372      13.806   761.306      14.2258  27.1341  0.254404  27.5703  0.257992  
1 1 1 16 2  3  o 7.28265  0.055411  53.0408      0.807077 51.6585      1.07135  54.8546      1.22722  7.18691  0.0745348 7.40578  0.0828557 
1 1 1 16 2  4  o 21.0082  0.14436   441.564      6.06548  440.2        8.2822   443.141      8.90767  20.9711  0.197467  21.0395  0.211689  
1 1 1 16 2  5  o 15.0481  0.101453  226.503      3.05335  226.036      4.31163  226.974      4.32457  15.0307  0.143428  15.0618  0.143561  
1 1 1 16 2  6  o 15.012   0.108324  225.426      3.25232  227.144      4.63255  223.755      4.5671   15.0668  0.153734  14.954   0.152705  
1 1 1 16 2  7  o 6.03822  0.0560469 36.463       0.676846 37.3037      0.961045 35.6357      0.953411 6.10718  0.0786816 5.96907  0.0798626 
1 1 1 16 2  8  o 6.38334  0.056876  40.7505      0.726117 40.3586      1.03731  41.1271      1.01677  6.35228  0.0816485 6.41251  0.0792802 
1 1 1 16 2  9  o 5.80329  0.0570739 33.6812      0.662433 32.6014      0.912022 34.8869      0.96376  5.70927  0.0798721 5.90597  0.0815919 
1 1 1 16 2  10 o 6.05062  0.0626744 36.614       0.758438 35.7532      1.06341  37.5053      1.08202  5.97873  0.0889326 6.12349  0.0883499 
1 1 1 16 2  11 o 4.30658  0.0638928 18.5486      0.550318 19.1841      0.809413 18.0024      0.750462 4.37946  0.09241   4.24248  0.0884461 
1 1 1 16 2  12 o 4.72587  0.0608988 22.3359      0.575599 23.785       0.829202 20.9883      0.799643 4.87654  0.0850195 4.58085  0.087281  
1 1 1 16 2  13 o 3.1891   0.0794384 10.1719      0.506674 9.39544      0.705951 10.9967      0.72763  3.06471  0.115174  3.31565  0.109727  
1 1 1 16 2  14 o 26.2923  0.183489  691.789      9.6487   692.029      13.6444  691.548      13.6463  26.287   0.259527  26.2778  0.259653  
1 1 1 16 2  15 o 14.5158  0.10751   210.75       3.12117  209.525      4.33901  212.064      4.49303  14.4721  0.14991   14.5593  0.154301  
1 1 1 16 2  16 o 12.488   0.0928988 155.971      2.32025  156.855      3.29541  155.103      3.26742  12.5225  0.131579  12.4524  0.131196  
1 1 1 16 2  17 o 10.4277  0.0812189 108.748      1.69386  106.928      2.36278  110.672      2.42956  10.3396  0.114259  10.519   0.115484  
1 1 1 16 2  18 o 19.5541  0.13514   382.469      5.28508  382.279      7.5515   382.651      7.39928  19.5464  0.193169  19.5561  0.189181  
1 1 1 16 2  19 o 2.31245  0.136664  5.34918      0.632056 4.81492      0.893291 5.88481      0.894435 2.19348  0.203624  2.42513  0.18441   
1 1 1 16 2  20 o 22.6033  0.153964  511.159      6.96019  514.625      9.90365  507.777      9.78382  22.6742  0.21839   22.523   0.217197  
1 1 1 16 2  21 o 10.2218  0.0928048 104.505      1.89727  103.23       2.65524  105.836      2.71195  10.1583  0.130693  10.2857  0.131831  
1 1 1 16 2  22 o 6.75305  0.0978762 45.6147      1.32193  46.0621      1.85933  45.1573      1.8798   6.78529  0.137012  6.71825  0.139903  
1 1 1 16 2  23 o 9.75787  0.100558  95.2446      1.96246  96.5167      2.80761  94.0294      2.74415  9.8213   0.142935  9.69398  0.141539  
1 1 1 16 2  24 o 4.06715  0.136943  16.5533      1.11394  17.2498      1.59868  15.8961      1.55301  4.15039  0.192594  3.98415  0.194899  
1 1 1 16 2  25 o 3.92644  0.140219  15.4317      1.10112  16.0021      1.57887  14.8915      1.53643  3.99646  0.197534  3.85521  0.199267  
1 1 1 16 2  26 o 2.93113  0.183527  8.60885      1.07588  10.452       1.60318  7.0986       1.4512   3.22697  0.248403  2.65836  0.27295   
1 1 1 16 2  27 o 8.18636  0.0988239 67.0656      1.61802  66.5462      2.23694  67.6356      2.3432   8.15175  0.137206  8.21774  0.142569  
1 1 1 16 2  28 o 5.48571  0.112748  30.1324      1.23701  29.2689      1.7217   31.0537      1.77847  5.40308  0.159326  5.56535  0.159781  
1 1 1 16 2  29 o 1.84143  0.251307  3.41698      0.925527 2.37291      1.32312  4.4173       1.29511  1.50279  0.422623  2.08949  0.30991   
1 1 1 16 2  30 o 5.00285  0.106965  25.071       1.07026  24.7875      1.52597  25.3455      1.50149  4.96995  0.15352   5.02605  0.149371  
1 1 1 16 2  31 o 1.53237  0.29637   2.46292      0.875876 3.35463      1.24319  1.58405      1.23421  1.77988  0.361814  1.26471  0.418828  
1 1 1 16 2  32 o 1.72544  0.253404  3.01764      0.874469 4.28725      1.25525  1.82045      1.21892  2.05049  0.306086  1.32644  0.414471  
1 1 1 16 2  33 f 3.39436  0.153675  11.5932      1.04325  10.7777      1.49233  12.3727      1.45901  3.26071  0.228834  3.49766  0.208569  
1 1 1 16 2  34 f 4.23451  0.131039  18.0266      1.10977  17.2866      1.5714   18.763       1.56752  4.13449  0.190036  4.30945  0.18187   
1 1 1 16 2  35 o 0.860361 0.352319  0.32193      0.966416 1.43217      1.39503  -0.702555    1.34007  1.23082  0.442921  0.818618 0.372427  
1 1 1 16 2  36 o 3.20836  0.164401  10.4047      1.05492  9.9245       1.54548  10.8236      1.44349  3.112    0.248311  3.25795  0.221534  
1 1 1 16 2  37 o 3.23269  0.168654  10.6005      1.09041  10.4547      1.49319  10.7671      1.5961   3.18958  0.234074  3.23198  0.246923  
1 1 1 16 2  38 o 1.78081  0.291373  3.33006      1.03776  4.35039      1.43547  2.21291      1.50203  1.97887  0.376274  1.40453  0.46204   
1 1 1 16 2  39 o 1.38142  0.382725  2.17301      1.09309  1.67084      1.51713  2.71512      1.57631  1.26195  0.461126  1.51605  0.470854  
1 1 1 16 2  40 o 1.27027  0.382959  1.83717      1.05318  1.90653      1.4918   1.76826      1.48705  1.30368  0.459129  1.27156  0.457325  
1 1 1 16 2  41 o 1.656    0.333281  3.11021      1.06504  3.16824      1.49023  3.04962      1.52269  1.603    0.447779  1.56777  0.457476  
1 1 1 16 2  42 o 0.745958 0.332853  -0.127199    1.01411  0.182085     1.44718  -0.425604    1.4215   0.916574 0.404376  0.827223 0.378687  
1 1 1 16 2  43 o 0.855005 0.361406  0.463555     1.06461  -1.79424     1.50212  2.74231      1.50908  0.699045 0.339643  1.40582  0.463124  
1 1 1 16 2  44 o 0.564498 0.276509  -1.57043     1.0545   -2.55452     1.49213  -0.588565    1.49045  0.628732 0.312036  0.78492  0.368667  
1 1 1 16 2  45 o 0.69259  0.33047   -0.650912    1.2647   -0.683815    1.73928  -0.613996    1.84228  0.786336 0.378138  0.808377 0.388843  
1 1 1 16 2  46 o 0.934363 0.393839  1.40275      1.25843  1.39752      1.87049  1.40707      1.70093  0.933204 0.430162  0.933187 0.423058  
1 1 1 16 2  47 f 0.731462 0.360274  -0.532279    1.8612   -0.612586    2.13923  -0.28216     3.7753   0.752386 0.373434  0.835893 0.425719  
1 1 1 16 3  0  o 15.0186  0.142253  225.671      4.27201  225.671      4.27201  225.671      4.27201  15.0205  0.100565  ?        ?         
1 1 1 16 3  1  o 6.10429  0.0468935 37.2643      0.572503 38.3956      0.819629 36.1866      0.800011 6.19609  0.0661408 6.01521  0.066499  
1 1 1 16 3  2  o 12.9903  0.088481  168.779      2.29879  167.547      3.19361  170.103      3.31155  12.9417  0.123385  13.0399  0.126978  
1 1 1 16 3  3  o 21.9915  0.14599   483.874      6.42108  480.776      9.02811  487.044      9.13439  21.9154  0.205977  22.0577  0.207057  
1 1 1 16 3  4  o 7.4643   0.0553134 55.72        0.825752 55.7878      1.15695  55.6495      1.17894  7.46858  0.0774547 7.45929  0.0790248 
1 1 1 16 3  5  o 2.28842  0.0558513 5.23726      0.255622 5.4643       0.358624 5.00278      0.364456 2.33741  0.0767139 2.2365   0.0814789 
1 1 1 16 3  6  o 23.2675  0.165721  541.758      7.71185  545.603      10.9853  538.022      10.8288  23.3416  0.235315  23.1791  0.233591  
1 1 1 16 3  7  o 3.52424  0.0528485 12.4212      0.372501 12.962       0.535537 11.9142      0.51847  3.60002  0.0743798 3.45145  0.0751091 
1 1 1 16 3  8  o 2.29334  0.0722901 5.26014      0.331571 5.33547      0.469938 5.18547      0.467894 2.30954  0.101738  2.27684  0.102751  
1 1 1 16 3  9  o 1.58753  0.110085  2.52109      0.349525 2.76907      0.48637  2.25626      0.502638 1.66356  0.146184  1.5015   0.167378  
1 1 1 16 3  10 o 14.8211  0.112434  219.741      3.33278  220.734      4.672    218.711      4.75564  14.852   0.157285  14.7836  0.160842  
1 1 1 16 3  11 f 12.3549  0.0929147 152.678      2.2959   152.52       3.39965  152.809      3.11304  12.3468  0.137673  12.359   0.125942  
1 1 1 16 3  12 o 3.39892  0.0708084 11.5541      0.481344 11.0591      0.669635 12.0833      0.692383 3.3251   0.100694  3.47567  0.0996041 
1 1 1 16 3  13 o 5.98568  0.0639004 35.8319      0.764976 34.8918      1.0542   36.8774      1.11177  5.90637  0.089243  6.07207  0.0915478 
1 1 1 16 3  14 o 17.6705  0.127507  312.349      4.50621  311.806      6.43721  312.871      6.31019  17.6519  0.182337  17.6823  0.178432  
1 1 1 16 3  15 o 10.9836  0.084839  120.655      1.86368  118.149      2.62167  123.215      2.64985  10.8683  0.120611  11.0989  0.119375  
1 1 1 16 3  16 o 11.9308  0.0912055 142.361      2.1763   144.091      3.06668  140.604      3.08896  12.0024  0.127753  11.8562  0.130268  
1 1 1 16 3  17 o 13.5288  0.0973248 183.055      2.63338  181.945      3.70081  184.195      3.74798  13.4868  0.137201  13.5699  0.138099  
1 1 1 16 3  18 o 13.1044  0.0969188 171.75       2.54012  172.042      3.55894  171.446      3.62657  13.1146  0.135686  13.0918  0.138506  
1 1 1 16 3  19 o 9.04203  0.0782879 81.7674      1.41576  81.6224      2.00135  81.9127      2.00303  9.03349  0.110774  9.04955  0.11067   
1 1 1 16 3  20 o 11.1742  0.0892566 124.884      1.99475  126.18       2.84079  123.623      2.80161  11.2311  0.12647   11.1168  0.126008  
1 1 1 16 3  21 o 8.83223  0.0953235 78.024       1.68384  78.4748      2.38676  77.5773      2.37589  8.8568   0.134742  8.806    0.134902  
1 1 1 16 3  22 o 13.1241  0.107943  172.294      2.83331  172.37       3.96936  172.215      4.04552  13.1251  0.151213  13.119   0.154186  
1 1 1 16 3  23 o 7.45867  0.0999668 55.6487      1.49124  56.3344      2.10543  54.9584      2.11245  7.50337  0.140299  7.4111   0.142519  
1 1 1 16 3  24 o 11.3049  0.103018  127.853      2.32921  126.56       3.32239  129.103      3.26633  11.2451  0.147727  11.3577  0.143793  
1 1 1 16 3  25 o 10.0249  0.100886  100.549      2.02274  101.566      2.87808  99.5567      2.84341  10.0728  0.142864  9.97274  0.142559  
1 1 1 16 3  26 o 3.29031  0.160624  10.8433      1.05701  9.60816      1.52064  11.998       1.4703   3.09392  0.245746  3.45898  0.212534  
1 1 1 16 3  27 o 1.32129  0.353961  1.8237       0.954449 1.86342      1.40079  1.78929      1.30399  1.37514  0.446165  1.34228  0.429973  
1 1 1 16 3  28 f 1.51082  0.333106  2.39899      0.979464 2.84863      1.40228  1.97066      1.36867  1.64169  0.424173  1.39613  0.439783  
1 1 1 16 3  29 o 7.22061  0.0962497 52.1977      1.38996  51.2704      1.99615  53.0704      1.93661  7.1516   0.13956   7.27686  0.133066  
1 1 1 16 3  30 o 1.45176  0.308422  2.21812      0.868531 3.37309      1.24988  1.13965      1.20778  1.78804  0.362154  1.14439  0.412094  
1 1 1 16 3  31 o 2.66557  0.170725  7.14369      0.910157 5.95046      1.27313  8.39099      1.30166  2.42385  0.262625  2.88309  0.22574   
1 1 1 16 3  32 f 4.21709  0.117057  17.8364      0.987279 18.0888      1.40588  17.5908      1.38676  4.24063  0.165763  4.18185  0.165807  
1 1 1 16 3  33 o 5.2628   0.114017  27.7941      1.2001   30.0293      1.72947  25.7184      1.66665  5.46162  0.158329  5.053    0.164917  
1 1 1 16 3  34 o 2.99048  0.169466  9.02388      1.01357  9.297        1.4279   8.74651      1.43897  3.02242  0.236217  2.92951  0.2456    
1 1 1 16 3  35 o 1.39626  0.356269  2.11451      0.998311 1.65749      1.41355  2.5693       1.4101   1.28811  0.447569  1.52858  0.438373  
1 1 1 16 3  36 o 1.06661  0.369164  1.11145      0.960883 0.855623     1.35553  1.36984      1.36228  1.08694  0.427082  1.20565  0.437312  
1 1 1 16 3  37 o 1.78047  0.290571  3.30603      1.03471  2.06931      1.45791  4.56119      1.46874  1.37718  0.455205  2.03804  0.37432   
1 1 1 16 3  38 o 0.827153 0.353581  0.106419     1.03884  0.297013     1.51757  -0.061649    1.42507  1.00503  0.428413  0.922687 0.4044    
1 1 1 16 3  39 o 2.26246  0.247746  5.34186      1.12103  3.90065      1.58404  6.78795      1.58672  1.82239  0.439139  2.51828  0.31504   
1 1 1 16 3  40 o 1.61804  0.342257  2.94402      1.0735   3.04323      1.51872  2.84496      1.51759  1.59164  0.454457  1.53987  0.458792  
1 1 1 16 3  41 o 2.86652  0.201289  8.54237      1.154    6.91617      1.63273  10.1657      1.63127  2.5035   0.32609   3.08515  0.264374  
1 1 1 16 3  42 o 1.10171  0.379913  1.41308      1.01685  1.00431      1.44907  1.80966      1.42728  1.05326  0.431383  1.22041  0.447134  
1 1 1 16 3  43 o 0.610627 0.293881  -1.17955     1.05584  0.686307     1.52884  -2.88094     1.45991  0.981809 0.424509  0.611836 0.304332  
1 1 1 16 3  44 o 1.16464  0.390399  1.81964      1.07234  2.04371      1.49853  1.58448      1.53518  1.19055  0.453416  1.09826  0.445947  
1 1 1 16 3  45 o 1.25426  0.423939  2.50525      1.26452  2.49502      1.72531  2.51713      1.85873  1.17153  0.473939  1.16175  0.483527  
1 1 1 16 3  46 o 0.80405  0.365292  0.658277     1.2794   2.09938      1.80798  -0.787174    1.8107   1.00033  0.445447  0.736785 0.361318  
1 1 1 16 3  47 o 0.730758 0.354638  -0.116267    1.62935  -0.868844    1.9405   1.68249      3.00002  0.715599 0.355242  0.880638 0.437791  
1 1 1 16 4  0  o 30.3964  0.297147  925.176      18.0605  925.176      18.0605  925.176      18.0605  30.4065  0.210023  ?        ?         
1 1 1 16 4  1  o 28.8765  0.193094  834.594      11.1517  825.935      15.4508  844.01       16.1119  28.714   0.269045  29.0249  0.277552  
1 1 1 16 4  2  o 21.1813  0.140704  448.861      5.9606   447.63       8.41116  450.103      8.44807  21.1471  0.198872  21.2054  0.199196  
1 1 1 16 4  3  o 19.6761  0.13091   387.312      5.1516   383.47       7.21958  391.298      7.35319  19.5742  0.184415  19.7729  0.185942  
1 1 1 16 4  4  o 17.3494  0.116077  301.104      4.02774  301.279      5.70024  300.929      5.69194  17.3515  0.164258  17.3415  0.164113  
1 1 1 16 4  5  o 19.5648  0.139581  382.969      5.46175  384.559      7.76037  381.408      7.68829  19.6004  0.197965  19.52    0.196933  
1 1 1 16 4  6  o 6.32615  0.0561697 40.0235      0.710677 39.1242      1.01838  40.8772      0.992229 6.2544   0.081413  6.39302  0.0776025 
1 1 1 16 4  7  o 20.5259  0.148421  421.557      6.09292  420.676      8.30188  422.586      8.97027  20.4992  0.202493  20.5439  0.21832   
1 1 1 16 4  8  o 16.2472  0.118729  264.074      3.85804  265.686      5.55248  262.57       5.36456  16.2934  0.17039   16.198   0.165594  
1 1 1 16 4  9  o 10.8172  0.0864518 117.037      1.87034  118.448      2.67063  115.679      2.62021  10.8811  0.122719  10.7532  0.121834  
1 1 1 16 4  10 o 3.14928  0.0698386 9.91925      0.439882 9.34216      0.596066 10.6094      0.651843 3.0561   0.0975208 3.25676  0.100075  
1 1 1 16 4  11 o 6.16558  0.0613453 38.0181      0.756459 39.9077      1.10328  36.3417      1.03918  6.31663  0.0873316 6.02783  0.0861988 
1 1 1 16 4  12 o 7.72888  0.0649494 59.7418      1.00397  62.2713      1.43809  57.3367      1.40225  7.89041  0.0911292 7.5713   0.0926028 
1 1 1 16 4  13 o 17.0605  0.120264  291.157      4.10353  295.702      5.94937  287.033      5.66741  17.1899  0.173049  16.9364  0.167314  
1 1 1 16 4  14 o 9.61374  0.0812692 92.4359      1.5626   89.694       2.24554  95.0102      2.17582  9.46937  0.118568  9.74612  0.111625  
1 1 1 16 4  15 o 5.69527  0.0669412 32.4385      0.762497 33.9263      1.08891  31.0072      1.06806  5.8242   0.0934813 5.56798  0.0959109 
1 1 1 16 4  16 f 22.5933  0.157712  510.643      7.12647  506.216      9.87577  515.452      10.2939  22.4912  0.219548  22.6949  0.22679   
1 1 1 16 4  17 o 9.01854  0.0763636 81.3412      1.37738  82.5512      1.99385  80.2366      1.905    9.08493  0.109734  8.95672  0.106345  
1 1 1 16 4  18 o 8.90148  0.0788446 79.2441      1.40367  79.1908      1.9603   79.3002      2.01083  8.89805  0.110154  8.90415  0.112915  
1 1 1 16 4  19 o 8.28721  0.0773188 68.6856      1.28151  69.6946      1.84469  67.7445      1.78162  8.34736  0.110496  8.22979  0.108242  
1 1 1 16 4  20 o 4.15366  0.0965983 17.2562      0.802473 17.6222      1.11978  16.8698      1.15058  4.1971   0.1334    4.10644  0.140094  
1 1 1 16 4  21 o 27.185   0.206101  739.736      11.2057  742.131      15.8813  737.362      15.8133  27.2155  0.291769  27.128   0.291458  
1 1 1 16 4  22 o 14.6994  0.117022  216.151      3.4403   215.717      4.74454  216.633      4.99581  14.6822  0.161575  14.7128  0.169778  
1 1 1 16 4  23 o 7.69091  0.109782  59.1723      1.68864  58.7986      2.34947  59.5716      2.42871  7.66521  0.153255  7.71528  0.157396  
1 1 1 16 4  24 o 4.03383  0.130425  16.2831      1.05222  16.9002      1.49138  15.6714      1.48478  4.1082   0.181512  3.95585  0.18767   
1 1 1 16 4  25 o 4.36621  0.124434  19.0791      1.08661  18.2118      1.55799  19.9005      1.51627  4.26387  0.182697  4.45768  0.170074  
1 1 1 16 4  26 o 4.13259  0.1283    17.096       1.06042  18.6408      1.51456  15.6106      1.48519  4.31326  0.17557   3.94656  0.188163  
1 1 1 16 4  27 o 0.905984 0.359562  0.44316      0.969757 1.52211      1.48326  -0.362376    1.28162  1.30182  0.45788   0.864265 0.381018  
1 1 1 16 4  28 o 5.58608  0.105708  31.2414      1.18098  30.5579      1.67866  31.9112      1.66179  5.52116  0.15202   5.64252  0.147256  
1 1 1 16 4  29 o 0.970585 0.355411  0.773774     0.901663 1.51795      1.32067  0.124054     1.23402  1.26644  0.43325   0.927283 0.390387  
1 1 1 16 4  30 o 5.84042  0.0997875 34.1629      1.1656   33.5808      1.65882  34.7307      1.63819  5.78562  0.143357  5.88438  0.139198  
1 1 1 16 4  31 o 4.36282  0.114748  19.0817      1.00125  19.4977      1.40866  18.657       1.42341  4.40494  0.159895  4.30823  0.165197  
1 1 1 16 4  32 o 0.788756 0.329272  0.146029     0.865974 0.105858     1.23414  0.18499      1.21542  0.917405 0.388516  0.926039 0.388533  
1 1 1 16 4  33 o 2.88625  0.177514  8.40284      1.0247   8.82934      1.45736  7.98582      1.44107  2.94689  0.24727   2.80069  0.257271  
1 1 1 16 4  34 o 0.968359 0.36164   0.76898      0.940816 0.5634       1.33456  0.972082     1.3265   1.02856  0.416529  1.11352  0.425864  
1 1 1 16 4  35 o 3.21307  0.171692  10.4327      1.10332  8.44472      1.58212  12.3147      1.5394   2.86682  0.275937  3.4786   0.221268  
1 1 1 16 4  36 o 3.20062  0.16155   10.3517      1.03412  11.5875      1.4718   9.14688      1.4533   3.37145  0.218274  2.98858  0.243143  
1 1 1 16 4  37 o 4.5664   0.13023   21.0339      1.18937  20.8374      1.66973  21.2364      1.69457  4.52527  0.18449   4.56797  0.185484  
1 1 1 16 4  38 o 0.776683 0.344786  -0.241717    1.07427  -0.114004    1.5223   -0.368412    1.51622  0.94267  0.415463  0.904625 0.405233  
1 1 1 16 4  39 o 2.35643  0.23552   5.77664      1.10997  5.96976      1.61228  5.60265      1.53039  2.34496  0.343775  2.2756   0.336261  
1 1 1 16 4  40 o 1.23982  0.397784  1.74564      1.11573  0.844627     1.59513  2.60872      1.5612   1.0953   0.45127   1.47327  0.470323  
1 1 1 16 4  41 o 1.55525  0.350403  2.80207      1.06379  3.39403      1.51371  2.2244       1.49531  1.65186  0.447226  1.34969  0.461006  
1 1 1 16 4  42 o 0.682322 0.31634   -0.580851    1.03066  -0.618532    1.47706  -0.545096    1.43883  0.817694 0.378947  0.81575  0.376499  
1 1 1 16 4  43 o 0.922458 0.372043  0.801271     1.05865  -0.420001    1.51631  1.96274      1.47872  0.828981 0.38409   1.21405  0.453386  
1 1 1 16 4  44 o 0.92046  0.371947  0.892895     1.06095  -0.394362    1.4964   2.19404      1.50445  0.804425 0.376104  1.22036  0.457003  
1 1 1 16 4  45 o 0.603975 0.297453  -1.57182     1.2494   -1.49604     1.66986  -1.66819     1.88314  0.708465 0.347287  0.736597 0.362809  
1 1 1 16 4  46 o 0.681485 0.326793  -0.369461    1.27635  -0.820038    1.77023  0.118376     1.84197  0.725354 0.356208  0.798448 0.385225  
1 1 1 16 4  47 o 1.00374  0.436833  2.50149      1.63895  2.05001      2.11521  3.17977      2.59265  0.90835  0.431064  0.961612 0.462242  
1 1 1 16 5  0  o 18.5931  0.175242  345.926      6.51528  345.926      6.51528  345.926      6.51528  18.5961  0.123882  ?        ?         
1 1 1 16 5  1  o 16.8032  0.113339  282.436      3.80893  278.852      5.38027  286.037      5.39303  16.6935  0.161148  16.9074  0.159488  
1 1 1 16 5  2  o 21.9653  0.149059  482.736      6.54822  487.724      9.35102  477.936      9.17271  22.0722  0.211828  21.8498  0.209903  
1 1 1 16 5  3  o 13.8008  0.0951393 190.505      2.62599  192.099      3.74236  188.958      3.68572  13.8568  0.135037  13.7431  0.134093  
1 1 1 16 5  4  o 8.07093  0.0638888 65.1466      1.03128  65.7183      1.47424  64.5987      1.44317  8.10583  0.0909368 8.03651  0.0897883 
1 1 1 16 5  5  f 25.8405  0.183541  668.312      9.48557  675.652      13.5617  661.283      13.2722  25.9704  0.261099  25.6933  0.258282  
1 1 1 16 5  6  o 19.1006  0.136643  365.013      5.21992  368.179      7.44533  361.952      7.32041  19.1785  0.194107  19.0158  0.192483  
1 1 1 16 5  7  o 12.1219  0.0893931 146.972      2.16723  144.649      3.02137  149.434      3.11042  12.0245  0.125634  12.2217  0.12725   
1 1 1 16 5  8  o 23.8858  0.174236  571.01       8.32356  568.245      11.4309  574.131      12.144   23.819   0.239954  23.9398  0.253635  
1 1 1 16 5  9  o 2.99672  0.0679923 8.98148      0.407507 8.95616      0.55607  9.01085      0.598917 2.99232  0.0929161 3.00139  0.0997734 
1 1 1 16 5  10 o 5.30922  0.0650948 28.1909      0.691204 26.2943      0.864259 31.5572      1.15141  5.12731  0.0842799 5.6168   0.102497  
1 1 1 16 5  11 o 10.9458  0.0826484 119.831      1.8093   123.17       2.61557  116.767      2.50547  11.0962  0.117858  10.804   0.115951  
1 1 1 16 5  12 o 10.3271  0.0780255 106.664      1.61155  108.686      2.30926  104.746      2.25005  10.4237  0.11077   10.233   0.109941  
1 1 1 16 5  13 o 6.81009  0.0643325 46.3817      0.87622  45.356       1.21495  47.4933      1.26488  6.73406  0.0902097 6.89087  0.0917792 
1 1 1 16 5  14 o 20.8525  0.145343  434.997      6.06153  436.412      8.6964   433.66       8.45337  20.882   0.208227  20.8164  0.203046  
1 1 1 16 5  15 o 19.7264  0.13832   389.248      5.45709  389.748      7.64006  388.726      7.79733  19.7361  0.193555  19.71    0.197801  
1 1 1 16 5  16 o 11.2217  0.0897703 125.942      2.01476  124.706      2.78309  127.303      2.92047  11.1659  0.124624  11.2815  0.129437  
1 1 1 16 5  17 o 7.52182  0.0726828 56.5822      1.09341  55.6813      1.56658  57.438       1.52682  7.46136  0.10498   7.5782   0.100738  
1 1 1 16 5  18 o 5.30531  0.0797409 28.1493      0.846101 27.0901      1.13119  29.4944      1.27477  5.2043   0.108679  5.43025  0.117377  
1 1 1 16 5  19 o 20.8372  0.142587  434.362      5.94222  437.293      8.45426  431.501      8.35379  20.9032  0.202224  20.7644  0.201157  
1 1 1 16 5  20 o 7.33186  0.0800252 53.7634      1.17347  53.556       1.63777  53.9822      1.68219  7.31722  0.111912  7.34623  0.114493  
1 1 1 16 5  21 f 17.7805  0.144597  316.299      5.14201  313.011      7.19339  319.736      7.35303  17.6835  0.203393  17.8723  0.205711  
1 1 1 16 5  22 o 13.6148  0.109     185.422      2.96803  185.969      4.10939  184.826      4.29138  13.6328  0.150717  13.5904  0.157883  
1 1 1 16 5  23 o 6.02242  0.113211  36.2844      1.36361  37.1203      1.93159  35.4539      1.9253   6.09018  0.158582  5.95182  0.161741  
1 1 1 16 5  24 o 3.29629  0.147499  10.8757      0.972398 12.5238      1.39288  9.30879      1.35814  3.53591  0.196961  3.04774  0.22281   
1 1 1 16 5  25 o 1.45668  0.350836  2.22175      1.01144  1.64974      1.43848  2.78108      1.42245  1.32929  0.452161  1.63032  0.430017  
1 1 1 16 5  26 o 11.0851  0.0999037 122.96       2.21489  125.835      3.18045  120.252      3.08632  11.2102  0.141855  10.9588  0.140815  
1 1 1 16 5  27 f 3.96054  0.13724   15.7107      1.08709  13.6343      1.64944  17.3052      1.44543  3.68467  0.223825  4.15464  0.173953  
1 1 1 16 5  28 o 3.3914   0.146406  11.5284      0.993045 11.5274      1.41058  11.5294      1.39825  3.38725  0.20822   3.38769  0.206373  
1 1 1 16 5  29 o 6.97704  0.0990704 48.7427      1.38244  47.4463      1.9293   50.1108      1.98188  6.87911  0.140229  7.06964  0.140168  
1 1 1 16 5  30 o 3.98047  0.122238  15.8817      0.973129 15.5725      1.39701  16.1732      1.35631  3.93628  0.177454  4.01241  0.169014  
1 1 1 16 5  31 o 1.89562  0.23238   3.6311       0.881008 4.16028      1.26791  3.13708      1.22506  2.02046  0.313769  1.71714  0.367393  
1 1 1 16 5  32 o 2.83718  0.163019  8.09792      0.925032 7.53793      1.29244  8.68606      1.32453  2.72837  0.236852  2.93043  0.225997  
1 1 1 16 5  33 o 2.30163  0.216018  5.36685      0.994389 6.26932      1.4081   4.46903      1.40447  2.47618  0.284329  2.08131  0.337399  
1 1 1 16 5  34 o 5.78149  0.109254  33.5562      1.2633   32.6231      1.77794  34.5076      1.79535  5.68868  0.15627   5.85153  0.153408  
1 1 1 16 5  35 o 4.83044  0.125183  23.4647      1.20938  24.1246      1.74716  22.8577      1.67572  4.88337  0.178888  4.75421  0.176235  
1 1 1 16 5  36 o 5.5333   0.115037  30.7855      1.27307  31.8087      1.80524  29.7733      1.79558  5.60957  0.160907  5.42545  0.165477  
1 1 1 16 5  37 o 0.860548 0.356784  0.302512     1.00595  1.53086      1.39397  -1.03232     1.45314  1.23489  0.442915  0.807252 0.374782  
1 1 1 16 5  38 o 4.46538  0.146024  20.1993      1.3041   22.2544      1.84599  18.1518      1.84257  4.66157  0.198001  4.19876  0.219418  
1 1 1 16 5  39 o 0.891571 0.369434  0.401444     1.07758  0.941899     1.54142  -0.115165    1.50703  1.10888  0.448227  0.926863 0.4103    
1 1 1 16 5  40 o 2.28588  0.24573   5.48584      1.12342  2.8499       1.56558  8.28382      1.61299  1.53054  0.468021  2.78342  0.289749  
1 1 1 16 5  41 o 0.864065 0.361954  0.389629     1.05203  1.18304      1.50619  -0.366166    1.47005  1.11695  0.446544  0.860437 0.391083  
1 1 1 16 5  42 o 1.02861  0.38132   1.151        1.04217  1.56813      1.47775  0.738232     1.46999  1.16526  0.448427  1.00623  0.42497   
1 1 1 16 5  43 o 0.960514 0.378988  0.966593     1.07159  0.965411     1.50722  0.9678       1.52384  1.01639  0.429842  1.01883  0.431603  
1 1 1 16 5  44 o 0.947461 0.375876  1.01512      1.05937  1.14341      1.51034  0.890877     1.4863   1.01419  0.429667  0.970708 0.41912   
1 1 1 16 5  45 o 0.589163 0.290355  -1.70428     1.23366  0.0516724    1.63738  -4.00987     1.87622  0.82732  0.388184  0.620287 0.313568  
1 1 1 16 5  46 o 0.877578 0.380587  1.20145      1.23586  1.57617      1.76103  0.837796     1.7348   0.925453 0.422753  0.847086 0.397838  
1 1 1 16 5  47 o 0.663345 0.328349  -0.947615    1.62183  -0.81174     2.09423  -1.1512      2.56348  0.720449 0.359207  0.740031 0.373218  
1 1 1 16 6  0  o 15.064   0.142842  227.042      4.30266  227.042      4.30266  227.042      4.30266  15.0659  0.100981  ?        ?         
1 1 1 16 6  1  o 9.0435   0.0639683 81.7932      1.15699  83.3692      1.68069  80.3736      1.59514  9.1297   0.092045  8.96424  0.0889723 
1 1 1 16 6  2  o 22.2217  0.154215  494.099      6.85383  495.464      9.7166   492.748      9.66913  22.2456  0.218393  22.1847  0.217924  
1 1 1 16 6  3  o 17.4621  0.124699  305.045      4.35502  306.38       6.18429  303.732      6.13388  17.4968  0.176727  17.421   0.176048  
1 1 1 16 6  4  o 11.8942  0.0902001 141.502      2.14572  142.851      3.09956  140.261      2.97338  11.9494  0.129695  11.8408  0.125557  
1 1 1 16 6  5  o 18.5131  0.129267  342.885      4.78626  347.48       6.85794  338.521      6.68302  18.6325  0.184032  18.391   0.181693  
1 1 1 16 6  6  o 19.7491  0.137892  390.223      5.44649  391.924      7.73999  388.555      7.66554  19.787   0.195583  19.7018  0.194539  
1 1 1 16 6  7  o 12.0921  0.0903423 146.251      2.18485  143.212      3.06938  149.373      3.11073  11.9644  0.128271  12.2191  0.12729   
1 1 1 16 6  8  o 5.58226  0.0609302 31.1648      0.680256 31.2339      1.00744  31.1069      0.922252 5.58809  0.0901415 5.57683  0.082686  
1 1 1 16 6  9  o 6.84855  0.0633376 46.9077      0.867541 47.5625      1.2456   46.2909      1.209    6.89579  0.0903158 6.803    0.0888577 
1 1 1 16 6  10 o 4.00263  0.0644446 16.0228      0.515895 16.2464      0.698466 15.7543      0.765275 4.03029  0.0866521 3.96868  0.0964142 
1 1 1 16 6  11 o 10.6063  0.0806809 112.512      1.71145  114.686      2.40402  110.277      2.43703  10.7075  0.112259  10.4995  0.116054  
1 1 1 16 6  12 f 2.79329  0.0826973 7.80373      0.461995 7.27946      0.637626 8.38315      0.670319 2.6976   0.118184  2.8949   0.115776  
1 1 1 16 6  13 o 12.2659  0.0898074 150.477      2.20313  151.986      3.13958  149.013      3.09235  12.3261  0.127355  12.205   0.126684  
1 1 1 16 6  14 o 13.3443  0.0990008 178.102      2.6422   177.443      3.72104  178.772      3.75243  13.3185  0.139695  13.3682  0.140349  
1 1 1 16 6  15 o 9.25234  0.0761791 85.6133      1.40967  85.9802      1.9961   85.2482      1.99106  9.27173  0.107644  9.23217  0.107833  
1 1 1 16 6  16 o 4.83116  0.0766384 23.3422      0.740505 22.307       1.03054  24.4472      1.06476  4.72261  0.109107  4.94397  0.107683  
1 1 1 16 6  17 o 12.074   0.0932709 145.801      2.25231  148.586      3.26968  143.286      3.10703  12.1879  0.134136  11.9687  0.129799  
1 1 1 16 6  18 o 18.5321  0.129276  343.535      4.7915   348.013      6.92584  339.424      6.63585  18.6495  0.185684  18.4183  0.180143  
1 1 1 16 6  19 o 7.23661  0.0756062 52.3746      1.09427  52.1774      1.54747  52.5719      1.54758  7.22255  0.107128  7.24981  0.106732  
1 1 1 16 6  20 o 17.124   0.123478  293.328      4.22889  291.061      5.93937  295.658      6.0226   17.0549  0.174125  17.189   0.175187  
1 1 1 16 6  21 o 6.43859  0.0975204 41.4649      1.25579  40.7874      1.75128  42.182       1.80169  6.38504  0.137139  6.49325  0.138736  
1 1 1 16 6  22 o 7.55679  0.089854  57.1181      1.35802  56.0055      1.88524  58.3179      1.95787  7.48201  0.125985  7.63484  0.128219  
1 1 1 16 6  23 o 7.36968  0.103807  54.332       1.53005  54.7356      2.18958  53.9467      2.13895  7.39562  0.148032  7.34221  0.145661  
1 1 1 16 6  24 o 8.08615  0.0932393 65.4112      1.50789  66.6219      2.17612  64.293       2.09137  8.15894  0.133358  8.0152   0.130463  
1 1 1 16 6  25 o 3.36764  0.152892  11.3557      1.02977  12.5527      1.44888  10.1337      1.46386  3.5389   0.204708  3.17872  0.230259  
1 1 1 16 6  26 o 6.39633  0.0970942 40.9391      1.24209  39.0505      1.72468  42.9741      1.79033  6.24497  0.138086  6.55128  0.136639  
1 1 1 16 6  27 o 2.4852   0.203043  6.19868      1.00921  5.68198      1.51633  6.60958      1.3522   2.37301  0.319495  2.56304  0.263787  
1 1 1 16 6  28 o 7.19419  0.0948523 51.808       1.36477  52.3092      1.96174  51.338       1.8999   7.22511  0.135758  7.15805  0.132711  
1 1 1 16 6  29 f 4.97845  0.109782  24.826       1.09309  24.4372      1.53368  25.2274      1.55834  4.93522  0.155381  5.01438  0.155387  
1 1 1 16 6  30 o 4.86974  0.106258  23.7581      1.0349   23.4314      1.46585  24.0829      1.46129  4.83143  0.151699  4.89845  0.149158  
1 1 1 16 6  31 o 7.30892  0.0947565 53.5156      1.38514  54.6491      1.97791  52.4248      1.94038  7.37939  0.134016  7.22761  0.134234  
1 1 1 16 6  32 o 2.73857  0.16721   7.54838      0.915834 8.70769      1.31155  6.44519      1.27942  2.93397  0.223511  2.52002  0.25385   
1 1 1 16 6  33 o 3.18842  0.160554  10.2409      1.02382  9.95706      1.42269  10.5457      1.47451  3.13267  0.227073  3.22361  0.228705  
1 1 1 16 6  34 o 6.25456  0.109896  39.2781      1.3747   39.5317      1.94363  39.0243      1.9446   6.26187  0.155196  6.22119  0.156288  
1 1 1 16 6  35 o 2.045    0.244979  4.27447      1.00197  2.48049      1.43287  5.99109      1.40164  1.50395  0.445337  2.41015  0.290778  
1 1 1 16 6  36 o 4.64059  0.131853  21.6981      1.22375  22.2371      1.68935  21.1029      1.77511  4.68239  0.180394  4.5561   0.194806  
1 1 1 16 6  37 o 4.76135  0.126084  22.8656      1.20066  23.1101      1.70203  22.6233      1.69398  4.7662   0.178552  4.71525  0.179628  
1 1 1 16 6  38 o 3.47071  0.176454  12.2782      1.22484  10.4235      1.71817  14.1946      1.74655  3.1562   0.27219   3.7037   0.235784  
1 1 1 16 6  39 o 0.977026 0.37592   0.819498     1.0384   0.687119     1.48534  0.946049     1.45227  1.05041  0.4344    1.09229  0.437731  
1 1 1 16 6  40 o 1.11971  0.393678  1.35068      1.09637  0.680446     1.54843  2.02452      1.55258  1.05165  0.439741  1.32394  0.468174  
1 1 1 16 6  41 o 1.22675  0.390139  1.78308      1.07499  2.99768      1.5263   0.587475     1.51432  1.53534  0.460648  1.00759  0.428681  
1 1 1 16 6  42 o 1.02539  0.380319  1.14773      1.03697  1.62576      1.51676  0.7282       1.42093  1.17709  0.454031  0.993504 0.418619  
1 1 1 16 6  43 o 0.639948 0.30408   -0.875726    1.05556  -2.15249     1.47344  0.470374     1.51292  0.657963 0.323712  0.936081 0.413158  
1 1 1 16 6  44 o 0.715317 0.327008  -0.192254    1.05591  0.752664     1.47506  -1.18533     1.51219  0.941836 0.412122  0.726721 0.35023   
1 1 1 16 6  45 o 0.699022 0.328366  -0.346188    1.18318  -0.520809    1.72532  -0.191158    1.62565  0.787712 0.378267  0.800951 0.379058  
1 1 1 16 6  46 o 0.80841  0.362403  0.804816     1.21465  0.283628     1.73165  1.30962      1.70422  0.792314 0.380109  0.888663 0.409999  
1 1 1 16 6  47 o 0.642719 0.319474  -1.06669     1.59506  0.295831     2.11933  -2.84687     2.42247  0.761535 0.376562  0.660199 0.33692   
1 1 1 16 7  0  o 0.377739 0.224465  0.161513     0.289827 0.161513     0.289827 0.161513     0.289827 0.34648  0.195679  ?        ?         
1 1 1 16 7  1  o 9.85933  0.0711912 97.2189      1.40379  97.9721      1.99746  96.4839      1.97329  9.8968   0.100914  9.82136  0.100459  
1 1 1 16 7  2  o 8.00941  0.0615967 64.1568      0.986706 64.358       1.39829  63.9573      1.39255  8.02156  0.0871584 7.99655  0.087072  
1 1 1 16 7  3  o 27.3994  0.204215  751.536      11.1907  753.347      15.8565  749.74       15.7959  27.4175  0.289167  27.3518  0.288754  
1 1 1 16 7  4  o 13.3975  0.100999  179.54       2.70625  181.008      3.90185  178.178      3.7567   13.4502  0.145048  13.3449  0.140755  
1 1 1 16 7  5  o 12.2424  0.0918748 149.911      2.24954  151.533      3.21467  148.355      3.14901  12.3071  0.130603  12.1774  0.129297  
1 1 1 16 7  6  o 10.417   0.0781713 108.532      1.62862  110.418      2.34163  106.764      2.26663  10.5062  0.11144   10.331   0.109701  
1 1 1 16 7  7  o 8.16947  0.0702377 66.7493      1.14761  67.6452      1.64107  65.8918      1.60545  8.22354  0.0997787 8.11628  0.0989029 
1 1 1 16 7  8  o 10.9525  0.0858677 119.982      1.88093  124.048      2.7014   116.156      2.62052  11.1354  0.121298  10.7753  0.121598  
1 1 1 16 7  9  o 2.90678  0.0694593 8.45046      0.403806 8.12601      0.556324 8.81173      0.587049 2.85025  0.0975921 2.96807  0.0988942 
1 1 1 16 7  10 o 2.19181  0.0910492 4.80505      0.399126 4.17879      0.555723 5.47226      0.573599 2.04372  0.135958  2.33883  0.122625  
1 1 1 16 7  11 o 13.5209  0.0994492 182.859      2.68929  183.718      3.69181  181.887      3.92537  13.5512  0.136217  13.483   0.145567  
1 1 1 16 7  12 o 9.68128  0.0797829 93.7411      1.5448   95.38        2.18081  92.0905      2.18857  9.76483  0.111667  9.5949   0.114049  
1 1 1 16 7  13 f 15.7912  0.10883   249.421      3.43712  250.687      4.87599  248.171      4.84579  15.8293  0.154018  15.7497  0.153838  
1 1 1 16 7  14 o 8.0123   0.075774  64.203       1.21425  63.6724      1.68941  64.77        1.74642  7.97874  0.105869  8.04718  0.108511  
1 1 1 16 7  15 o 23.5164  0.161752  553.234      7.60766  549.096      10.681   557.495      10.8384  23.4237  0.227996  23.6021  0.229606  
1 1 1 16 7  16 o 17.3976  0.121605  302.743      4.23126  299.981      5.99635  305.482      5.97155  17.316   0.173144  17.4742  0.170868  
1 1 1 16 7  17 o 1.91359  0.149218  3.66306      0.571083 4.08009      0.791892 3.21114      0.824352 2.01932  0.196078  1.79123  0.230107  
1 1 1 16 7  18 o 13.1903  0.0989565 174.013      2.61052  176.262      3.72095  171.834      3.6634   13.274   0.140159  13.1062  0.139758  
1 1 1 16 7  19 o 5.73677  0.0780902 32.9146      0.895971 32.1506      1.26466  33.6846      1.26954  5.66942  0.111534  5.80313  0.109384  
1 1 1 16 7  20 o 6.81004  0.0835966 46.3837      1.13859  47.0316      1.61258  45.7396      1.60785  6.85692  0.117588  6.76205  0.118888  
1 1 1 16 7  21 o 7.5189   0.0917985 56.5456      1.38045  55.5341      1.88902  57.7049      2.02228  7.45062  0.126769  7.59469  0.133138  
1 1 1 16 7  22 o 18.754   0.136813  351.903      5.13159  350.204      7.1464   353.711      7.37325  18.7038  0.191041  18.7967  0.196132  
1 1 1 16 7  23 o 12.1647  0.112405  148.047      2.73474  150.15       3.96422  146.137      3.77754  12.2478  0.161834  12.0835  0.15631   
1 1 1 16 7  24 o 5.48641  0.105507  30.1163      1.15771  28.6001      1.62024  31.6979      1.65481  5.34503  0.151565  5.62724  0.147036  
1 1 1 16 7  25 o 1.06938  0.367167  1.04968      0.948885 0.231523     1.34996  1.84863      1.33403  0.992818 0.412571  1.36484  0.434665  
1 1 1 16 7  26 o 5.71201  0.102179  32.651       1.1673   34.7123      1.70074  30.8151      1.60503  5.88734  0.144441  5.54701  0.144675  
1 1 1 16 7  27 o 5.27972  0.113337  27.9087      1.19678  28.227       1.73566  27.6202      1.6524   5.30632  0.163546  5.24946  0.157388  
1 1 1 16 7  28 o 6.42571  0.0968694 41.3338      1.24491  40.6609      1.77392  41.9868      1.74751  6.36954  0.13925   6.47299  0.134985  
1 1 1 16 7  29 o 2.32374  0.19783   5.42946      0.919414 5.83658      1.31296  5.03773      1.2879   2.4033   0.273157  2.23143  0.288581  
1 1 1 16 7  30 o 3.31721  0.138516  11.0395      0.918971 9.52558      1.29197  12.5899      1.30741  3.07482  0.210088  3.53796  0.18477   
1 1 1 16 7  31 o 1.51161  0.299694  2.4037       0.873827 3.29698      1.25357  1.5594       1.21872  1.76056  0.367965  1.25372  0.416192  
1 1 1 16 7  32 o 4.78967  0.113187  23.0111      1.08426  23.1565      1.55558  22.8737      1.51209  4.7971   0.162137  4.76837  0.158554  
1 1 1 16 7  33 o 4.85397  0.11587   23.6532      1.12486  24.5371      1.60077  22.791       1.58099  4.93475  0.162193  4.75502  0.166245  
1 1 1 16 7  34 o 0.659111 0.305566  -0.770608    0.961518 -0.591493    1.39674  -0.931951    1.32563  0.854197 0.385507  0.784544 0.361825  
1 1 1 16 7  35 o 2.35296  0.215929  5.63397      1.01614  6.17186      1.44415  5.10653      1.43004  2.44417  0.295429  2.21641  0.322602  
1 1 1 16 7  36 o 5.64708  0.120008  32.1007      1.35539  30.3557      1.92169  33.828       1.91196  5.47095  0.175627  5.77996  0.165395  
1 1 1 16 7  37 o 2.28651  0.226268  5.37733      1.03473  6.80701      1.47596  3.99555      1.45102  2.54992  0.289412  1.88778  0.396878  
1 1 1 16 7  38 o 0.726394 0.33202   -0.593975    1.08805  0.0102867    1.59641  -1.11818     1.4869   0.978441 0.428435  0.801823 0.374896  
1 1 1 16 7  39 o 1.43189  0.364978  2.3365       1.04854  2.71049      1.47082  1.95001      1.49519  1.5112   0.451956  1.31705  0.460054  
1 1 1 16 7  40 o 1.7911   0.322373  3.57903      1.11272  3.40795      1.571    3.75127      1.57626  1.66811  0.457395  1.75767  0.447187  
1 1 1 16 7  41 o 2.39284  0.232524  6.06695      1.11279  6.94937      1.62096  5.28039      1.53038  2.49463  0.324889  2.15247  0.355494  
1 1 1 16 7  42 o 1.06593  0.380524  1.30601      1.02784  1.88426      1.44994  0.721913     1.45725  1.22844  0.450613  0.996228 0.422051  
1 1 1 16 7  43 o 0.887369 0.36608   0.687163     1.05108  -1.3252      1.4725   2.77765      1.50081  0.719636 0.346518  1.38529  0.461853  
1 1 1 16 7  44 o 0.648049 0.306805  -0.70506     1.06583  0.194291     1.4915   -1.64359     1.52364  0.860518 0.391868  0.688935 0.336304  
1 1 1 16 7  45 o 0.902374 0.385118  0.994638     1.22894  1.19645      1.80841  0.82147      1.67518  0.964483 0.436785  0.912532 0.415486  
1 1 1 16 7  46 o 0.762739 0.352502  0.47279      1.26673  -1.26638     1.82353  2.09464      1.76095  0.692927 0.344039  0.969382 0.435416  
1 1 1 16 7  47 o 0.615782 0.306339  -1.06941     1.48185  -0.720149    1.97876  -1.51539     2.23604  0.684296 0.342148  0.672049 0.339763  
1 1 1 16 8  0  o 5.25256  0.0647525 27.6034      0.679999 27.6034      0.679999 27.6034      0.679999 5.25323  0.0457732 ?        ?         
1 1 1 16 8  1  o 2.54669  0.0481824 6.48603      0.245411 6.18535      0.334795 6.83522      0.36079  2.48689  0.0673119 2.61426  0.0690041 
1 1 1 16 8  2  o 3.95826  0.0486158 15.6688      0.384868 15.8893      0.55588  15.4658      0.533389 3.98588  0.0697311 3.93242  0.0678194 
1 1 1 16 8  3  o 2.14128  0.0619478 4.58553      0.265295 4.32911      0.366368 4.8682       0.384667 2.08044  0.0880506 2.20618  0.0871795 
1 1 1 16 8  4  o 15.3834  0.116402  236.735      3.58133  237.551      5.21663  236.008      4.92543  15.4068  0.169296  15.3573  0.160361  
1 1 1 16 8  5  o 3.43774  0.0533833 11.8189      0.367035 11.0482      0.519885 12.5848      0.518252 3.32361  0.0782108 3.54726  0.0730497 
1 1 1 16 8  6  f 7.28053  0.0605196 53.0114      0.88123  52.591       1.25609  53.4188      1.23664  7.25122  0.0866121 7.3081   0.0846072 
1 1 1 16 8  7  o 6.43417  0.0641884 41.4034      0.825999 42.602       1.2588   40.497       1.09461  6.52618  0.0964422 6.36307  0.086013  
1 1 1 16 8  8  o 11.8659  0.09307   140.832      2.20872  142.504      3.08032  139.064      3.16875  11.9348  0.129048  11.7896  0.134387  
1 1 1 16 8  9  o 4.63052  0.0577952 21.4436      0.535244 21.9418      0.771708 20.9818      0.743007 4.68379  0.0823807 4.58019  0.0811109 
1 1 1 16 8  10 o 15.7106  0.113331  246.901      3.56099  248.594      5.12506  245.321      4.95143  15.7616  0.16258   15.6578  0.158114  
1 1 1 16 8  11 o 2.926    0.0783096 8.56274      0.458268 8.89841      0.646193 8.22311      0.650002 2.9826   0.108327  2.86715  0.113353  
1 1 1 16 8  12 o 9.54737  0.0743245 91.1635      1.41921  88.3892      1.95692  94.2415      2.06126  9.40039  0.104087  9.70656  0.106179  
1 1 1 16 8  13 o 15.7755  0.113588  248.925      3.58382  251.246      4.99763  246.469      5.14203  15.847   0.157683  15.6954  0.163807  
1 1 1 16 8  14 o 2.18549  0.111883  4.77732      0.489039 4.98618      0.656176 4.51637      0.733473 2.23259  0.146954  2.12466  0.172609  
1 1 1 16 8  15 o 3.87935  0.0780917 15.0507      0.605889 14.6135      0.862758 15.4761      0.851075 3.8224   0.112856  3.93362  0.10818   
1 1 1 16 8  16 o 24.2573  0.165121  588.656      8.01077  587.942      11.4442  589.342      11.2171  24.2372  0.236086  24.2665  0.231124  
1 1 1 16 8  17 o 19.5935  0.138479  384.022      5.4266   382.051      7.54717  386.131      7.80822  19.5403  0.193118  19.644   0.198743  
1 1 1 16 8  18 o 9.61731  0.0798677 92.5035      1.53622  93.1056      2.17708  91.9064      2.16805  9.64797  0.112826  9.58563  0.113088  
1 1 1 16 8  19 o 9.47747  0.0815365 89.8349      1.54552  89.5882      2.18062  90.0839      2.19081  9.46379  0.115209  9.48993  0.115428  
1 1 1 16 8  20 o 16.0978  0.129431  259.237      4.16713  255.391      5.81634  263.293      5.97322  15.975   0.182045  16.2202  0.18413   
1 1 1 16 8  21 o 3.90685  0.115775  15.2687      0.904628 15.3405      1.30151  15.2016      1.25826  3.9153   0.166209  3.89761  0.161414  
1 1 1 16 8  22 o 20.3905  0.157896  416.084      6.43917  414.847      9.21201  417.266      9.00427  20.3521  0.226316  20.4121  0.220562  
1 1 1 16 8  23 o 5.93384  0.0989702 35.2234      1.17455  35.588       1.65689  34.855       1.66526  5.96339  0.138922  5.90159  0.141085  
1 1 1 16 8  24 o 9.24674  0.0957046 85.5401      1.76991  85.9763      2.50449  85.1049      2.50157  9.26823  0.135112  9.22111  0.135644  
1 1 1 16 8  25 o 13.1714  0.109993  173.61       2.89753  172.793      4.06905  174.452      4.12703  13.1357  0.154885  13.1984  0.156345  
1 1 1 16 8  26 o 2.19979  0.212411  4.85509      0.934519 4.63673      1.34761  5.05738      1.29706  2.14546  0.31406   2.24191  0.289277  
1 1 1 16 8  27 f 5.20367  0.111549  27.1115      1.16093  26.4814      1.69759  27.665       1.59118  5.13913  0.165163  5.25384  0.15143   
1 1 1 16 8  28 o 3.94251  0.124386  15.5717      0.980783 14.93        1.39044  16.2071      1.38366  3.85654  0.18027   4.01878  0.172149  
1 1 1 16 8  29 o 2.89177  0.160671  8.39341      0.929245 7.86136      1.29104  8.96536      1.33855  2.79302  0.231118  2.98336  0.224336  
1 1 1 16 8  30 o 1.82329  0.22999   3.35518      0.838678 2.95025      1.18767  3.75794      1.18448  1.66649  0.366275  1.92254  0.30805   
1 1 1 16 8  31 f 2.76706  0.159181  7.69651      0.880925 7.89119      1.2524   7.50587      1.23933  2.79481  0.224059  2.72531  0.227374  
1 1 1 16 8  32 f 3.39001  0.147936  11.5542      1.00301  11.7167      1.44016  11.4012      1.39773  3.40426  0.211523  3.3587   0.208076  
1 1 1 16 8  33 o 1.71898  0.26328   3.01581      0.905146 3.49111      1.28718  2.55087      1.27307  1.80217  0.369835  1.53242  0.408014  
1 1 1 16 8  34 o 1.80687  0.279104  3.35542      1.00861  4.49019      1.42384  2.21248      1.42895  2.07569  0.342979  1.43265  0.448981  
1 1 1 16 8  35 o 3.44539  0.155706  11.9826      1.07293  13.0033      1.5559   11.0571      1.48154  3.57321  0.217718  3.29296  0.224956  
1 1 1 16 8  36 o 2.82692  0.184578  8.12453      1.04357  9.02106      1.44693  7.15261      1.50655  2.96092  0.244338  2.62245  0.287241  
1 1 1 16 8  37 o 2.54803  0.218578  6.66934      1.11389  7.46341      1.58666  5.89767      1.56414  2.66514  0.29767   2.35529  0.332048  
1 1 1 16 8  38 o 1.30848  0.384158  1.92307      1.07055  1.70272      1.53006  2.1344       1.4984   1.27664  0.46342   1.37636  0.461483  
1 1 1 16 8  39 f 1.87381  0.289342  3.73328      1.08435  3.68878      1.51598  3.7799       1.55163  1.7686   0.431755  1.78766  0.437046  
1 1 1 16 8  40 o 1.14081  0.391081  1.43699      1.07615  2.60396      1.55209  0.356583     1.49342  1.46076  0.469215  0.982801 0.422152  
1 1 1 16 8  41 o 1.71736  0.325753  3.37772      1.07833  4.61177      1.52628  2.14782      1.5237   1.9502   0.40484   1.31212  0.463818  
1 1 1 16 8  42 o 0.790648 0.340032  0.221066     0.970991 -0.655402    1.36442  1.12044      1.38213  0.776028 0.361392  1.05542  0.425335  
1 1 1 16 8  43 o 0.797864 0.35072   0.214895     1.07833  0.124731     1.50805  0.309223     1.5425   0.878401 0.398278  0.908843 0.407886  
1 1 1 16 8  44 o 0.936374 0.376246  1.03745      1.077    0.953802     1.52081  1.1216       1.52543  0.961243 0.419556  0.987223 0.425406  
1 1 1 16 8  45 o 0.988897 0.401674  1.45549      1.24592  0.55635      1.75248  2.37443      1.77167  0.88645  0.411561  1.12402  0.470213  
1 1 1 16 8  46 o 0.687863 0.332052  -0.324801    1.37314  -0.330482    1.93462  -0.319034    1.94929  0.75451  0.371121  0.756452 0.372221  
1 1 1 16 8  47 o 0.721715 0.346966  0.628268     1.46183  2.48383      1.98926  -1.5502      2.15541  0.854221 0.409226  0.648021 0.328504  
1 1 1 16 9  0  o 0.73205  0.240687  0.684642     0.311522 0.684642     0.311522 0.684642     0.311522 0.783559 0.158796  ?        ?         
1 1 1 16 9  1  o 11.0152  0.0816754 121.356      1.79934  121.128      2.57128  121.575      2.51884  11.0038  0.116836  11.0242  0.114241  
1 1 1 16 9  2  o 16.4899  0.12116   272.024      3.99583  266.873      5.54722  277.58       5.76075  16.33    0.169848  16.6541  0.172953  
1 1 1 16 9  3  o 11.7859  0.0908471 138.938      2.14143  137.138      3.06897  140.646      2.98947  11.7079  0.131064  11.8569  0.126065  
1 1 1 16 9  4  o 12.2474  0.0919062 150.034      2.25123  149.269      3.16908  150.814      3.19857  12.2148  0.129723  12.2778  0.130258  
1 1 1 16 9  5  o 7.54797  0.0665354 56.9788      1.00441  56.2586      1.45792  57.6295      1.38574  7.4996   0.0971997 7.59054  0.0912809 
1 1 1 16 9  6  o 21.9722  0.15857   483.114      6.96826  484.041      9.75967  482.15       9.95236  21.9859  0.221953  21.9422  0.226786  
1 1 1 16 9  7  o 2.02038  0.0785646 4.08263      0.317461 4.35502      0.455187 3.82466      0.442976 2.08652  0.109078  1.95533  0.113274  
1 1 1 16 9  8  o 5.63639  0.0598585 31.7719      0.674773 33.1087      1.00195  30.6624      0.912814 5.75344  0.0870738 5.53687  0.0824305 
1 1 1 16 9  9  o 5.68643  0.0561418 32.3381      0.638494 33.2325      0.918978 31.5034      0.887763 5.7643   0.0797129 5.61234  0.0790903 
1 1 1 16 9  10 o 10.0274  0.0806307 100.565      1.61703  101.151      2.2933   99.9849      2.28042  10.0558  0.114029  9.99764  0.114048  
1 1 1 16 9  11 o 6.83617  0.0629728 46.7375      0.860986 47.2784      1.24164  46.2366      1.19494  6.87526  0.0902976 6.79912  0.0878744 
1 1 1 16 9  12 f 4.65835  0.0620079 21.7019      0.577709 22.1334      0.817771 21.2721      0.816239 4.70424  0.0869185 4.61179  0.0884947 
1 1 1 16 9  13 o 12.565   0.0929054 157.902      2.3347   161.323      3.3982   154.843      3.21311  12.6993  0.133795  12.4418  0.129126  
1 1 1 16 9  14 o 23.2658  0.158052  541.5        7.35441  538.614      10.2386  544.577      10.5707  23.1994  0.220666  23.327   0.226577  
1 1 1 16 9  15 o 14.8714  0.111986  221.198      3.33076  220.76       4.5854   221.688      4.84621  14.8553  0.154335  14.8862  0.162775  
1 1 1 16 9  16 o 24.6013  0.167315  605.479      8.23234  603.372      11.4736  607.716      11.8186  24.5534  0.233646  24.641   0.239816  
1 1 1 16 9  17 o 7.88007  0.0823154 62.1024      1.2973   61.9015      1.84228  62.3         1.82714  7.86685  0.117092  7.89215  0.115757  
1 1 1 16 9  18 o 8.18074  0.0762645 66.9321      1.2478   65.8748      1.72187  68.1015      1.8108   8.11543  0.106086  8.25139  0.109727  
1 1 1 16 9  19 o 4.0154   0.0978082 16.1267      0.785478 17.0069      1.09536  15.1949      1.12699  4.12317  0.132829  3.8972   0.144589  
1 1 1 16 9  20 o 13.9076  0.113022  193.478      3.14373  192.364      4.43537  194.602      4.45651  13.8654  0.159944  13.9459  0.159779  
1 1 1 16 9  21 o 11.8564  0.0994266 140.611      2.35768  140.626      3.3067   140.597      3.36254  11.8555  0.139459  11.8541  0.14183   
1 1 1 16 9  22 o 10.9829  0.10478   120.665      2.30157  121.253      3.26428  120.083      3.24563  11.0077  0.148272  10.9545  0.148141  
1 1 1 16 9  23 o 2.11412  0.214471  4.47774      0.906832 5.17498      1.30797  3.83236      1.25838  2.27104  0.287966  1.95354  0.322077  
1 1 1 16 9  24 o 11.7913  0.103649  139.111      2.44431  138.701      3.45153  139.523      3.46206  11.7707  0.146615  11.8056  0.146628  
1 1 1 16 9  25 o 6.72097  0.0970586 45.1977      1.30466  45.5199      1.8276   44.8628      1.86304  6.743    0.135518  6.69395  0.139158  
1 1 1 16 9  26 o 4.2555   0.120137  18.1294      1.02248  17.6559      1.4706   18.5724      1.42261  4.19689  0.175201  4.305    0.165228  
1 1 1 16 9  27 o 5.86537  0.105726  34.4425      1.24025  35.3256      1.79705  33.6392      1.71385  5.93654  0.151355  5.79341  0.147914  
1 1 1 16 9  28 o 3.47267  0.136792  12.0871      0.950069 11.9278      1.35924  12.2392      1.32849  3.44544  0.197252  3.49069  0.19029   
1 1 1 16 9  29 o 3.8217   0.127852  14.6407      0.977228 14.654       1.37189  14.6271      1.39235  3.81887  0.179621  3.81507  0.18248   
1 1 1 16 9  30 o 3.57402  0.129722  12.8124      0.927256 11.6118      1.31032  14.0167      1.31236  3.39618  0.192911  3.73345  0.175756  
1 1 1 16 9  31 o 3.36603  0.133516  11.3726      0.898835 10.5637      1.26353  12.2012      1.2789   3.23737  0.195148  3.48081  0.183707  
1 1 1 16 9  32 o 2.83764  0.172995  8.11395      0.981792 7.23601      1.35824  9.07462      1.42079  2.66802  0.254542  2.99096  0.237515  
1 1 1 16 9  33 o 1.08409  0.348885  1.1974       0.857805 0.389979     1.21543  1.99871      1.21082  0.960524 0.39452   1.36814  0.41025   
1 1 1 16 9  34 o 2.12427  0.240472  4.60667      1.02165  6.36768      1.48381  3.01925      1.40878  2.48353  0.298729  1.65346  0.424005  
1 1 1 16 9  35 f 4.17794  0.130324  17.5726      1.08897  17.4256      1.5396   17.7197      1.54048  4.14617  0.185665  4.18145  0.184204  
1 1 1 16 9  36 o 0.852032 0.350318  0.32813      0.95931  0.256259     1.31732  0.40928      1.39977  0.950951 0.401993  1.00225  0.418528  
1 1 1 16 9  37 o 4.50298  0.131163  20.4782      1.18125  20.5467      1.66928  20.4096      1.6718   4.48812  0.185967  4.47268  0.18689   
1 1 1 16 9  38 o 2.75542  0.1985    7.78969      1.0939   8.38724      1.56673  7.2213       1.52802  2.82505  0.277292  2.61434  0.292239  
1 1 1 16 9  39 o 1.12843  0.389213  1.36302      1.0673   -1.00718     1.49465  3.82908      1.52457  0.809142 0.377366  1.80406  0.428361  
1 1 1 16 9  40 o 2.82844  0.197353  8.27497      1.1164   8.59532      1.56391  7.9421       1.59419  2.83811  0.27552   2.71671  0.293404  
1 1 1 16 9  41 o 1.04984  0.382123  1.20435      1.04092  1.07822      1.47984  1.32788      1.46446  1.07822  0.437825  1.12557  0.443384  
1 1 1 16 9  42 o 1.42105  0.345643  2.4302       0.974302 2.85411      1.38038  2.00937      1.37538  1.47227  0.437339  1.24936  0.440763  
1 1 1 16 9  43 o 0.664267 0.313309  -0.741994    1.09859  -2.35018     1.49225  1.16103      1.62329  0.64437  0.317987  1.04065  0.443327  
1 1 1 16 9  44 o 0.905289 0.371585  0.922093     1.07751  1.57764      1.50238  0.227723     1.54623  1.05533  0.436687  0.860535 0.394361  
1 1 1 16 9  45 o 0.703155 0.330439  -0.303525    1.2005   -0.308311    1.67808  -0.298509    1.71815  0.791119 0.37824   0.797847 0.381762  
1 1 1 16 9  46 o 0.902087 0.39833   1.54992      1.40837  2.186        1.96195  0.873692     2.02291  0.944352 0.437298  0.83148  0.401715  
1 1 1 16 9  47 o 0.732541 0.350834  0.74801      1.45946  1.67238      1.94837  -0.433759    2.20299  0.796879 0.387064  0.692126 0.348688  
1 1 1 16 10 0  o 11.195   0.113576  125.389      2.54239  125.389      2.54239  125.389      2.54239  11.1964  0.0802916 ?        ?         
1 1 1 16 10 1  o 12.6546  0.0908794 160.173      2.30008  158.885      3.19617  161.556      3.31255  12.6023  0.126809  12.7076  0.130338  
1 1 1 16 10 2  o 4.95478  0.0555993 24.5519      0.550965 23.6773      0.744398 25.6114      0.819347 4.86555  0.0764968 5.06032  0.080958  
1 1 1 16 10 3  o 14.8146  0.109605  219.544      3.2475   218.419      4.57013  220.692      4.61553  14.7742  0.154666  14.8508  0.155396  
1 1 1 16 10 4  o 10.2458  0.0808003 104.995      1.65572  107.681      2.39349  102.53       2.29285  10.3751  0.115348  10.1239  0.113239  
1 1 1 16 10 5  o 13.4014  0.10712   179.655      2.87111  178.258      4.08976  181.012      4.03159  13.347   0.15321   13.4499  0.149874  
1 1 1 16 10 6  o 24.2415  0.181524  588.191      8.80083  587.022      12.1131  589.499      12.8085  24.2074  0.250194  24.2561  0.264027  
1 1 1 16 10 7  o 13.4428  0.100947  180.759      2.71402  181.517      3.84975  180.011      3.82677  13.4691  0.14291   13.4131  0.14265   
1 1 1 16 10 8  o 9.6099   0.0757146 92.3638      1.45522  94.6278      2.07547  90.1746      2.04095  9.72624  0.106694  9.49461  0.107479  
1 1 1 16 10 9  o 11.1702  0.0853643 124.796      1.90707  125.26       2.70088  124.334      2.69315  11.1899  0.120684  11.1485  0.120786  
1 1 1 16 10 10 o 10.868   0.0881414 118.136      1.91585  119.734      2.81339  116.755      2.61619  10.9401  0.128581  10.8034  0.121082  
1 1 1 16 10 11 o 10.5914  0.0811145 112.195      1.71823  113.391      2.51136  111.142      2.35598  10.6468  0.11794   10.5409  0.111754  
1 1 1 16 10 12 o 5.4677   0.0618472 29.8979      0.676324 30.4248      0.965512 29.3904      0.947671 5.51546  0.0875278 5.42089  0.0874092 
1 1 1 16 10 13 o 11.9627  0.0873065 143.123      2.08883  145.972      2.97182  140.341      2.93661  12.0804  0.123002  11.845   0.123959  
1 1 1 16 10 14 o 12.4418  0.0910808 154.816      2.26641  152.739      3.13257  157.098      3.28312  12.3573  0.12675   12.5323  0.130986  
1 1 1 16 10 15 o 2.06625  0.124048  4.27035      0.512626 4.12187      0.731517 4.41362      0.71858  2.02974  0.1802    2.1004   0.171058  
1 1 1 16 10 16 o 19.5121  0.136108  380.827      5.31151  381.043      7.34641  380.59       7.68849  19.515   0.188225  19.5029  0.197112  
1 1 1 16 10 17 o 23.1229  0.165384  534.924      7.64832  526.712      10.3024  545.007      11.4158  22.94    0.22455   23.3331  0.244628  
1 1 1 16 10 18 o 16.3485  0.117824  267.35       3.85249  272.206      5.52116  262.742      5.37814  16.494   0.167369  16.2048  0.165943  
1 1 1 16 10 19 f 18.7958  0.133426  353.417      5.01568  356.448      6.99602  350.212      7.19464  18.8728  0.185347  18.7065  0.192304  
1 1 1 16 10 20 o 18.6803  0.142862  349.123      5.33739  343.861      7.45459  354.656      7.64543  18.5345  0.201101  18.823   0.203088  
1 1 1 16 10 21 o 1.38398  0.303398  1.99645      0.816845 4.01653      1.16617  0.0506855    1.14452  2.00176  0.291287  0.887549 0.374921  
1 1 1 16 10 22 o 6.87849  0.1002    47.3291      1.37845  48.2223      2.00196  46.5238      1.90083  6.94187  0.144194  6.81867  0.139384  
1 1 1 16 10 23 o 5.83888  0.0991458 34.107       1.1578   33.466       1.65007  34.7287      1.62497  5.7824   0.14268   5.89066  0.137928  
1 1 1 16 10 24 o 7.90113  0.0921154 62.4561      1.45563  63.7913      2.07689  61.1669      2.04073  7.98337  0.130076  7.81741  0.130525  
1 1 1 16 10 25 o 4.31553  0.119561  18.6409      1.03194  19.327       1.44962  17.936       1.46935  4.39235  0.165016  4.23094  0.173643  
1 1 1 16 10 26 o 1.17813  0.352884  1.41628      0.896209 1.99805      1.34625  0.953271     1.20101  1.40404  0.434954  1.10209  0.409191  
1 1 1 16 10 27 o 8.53522  0.0935815 72.918       1.59748  72.8588      2.21231  72.9824      2.30914  8.52812  0.129707  8.53469  0.13528   
1 1 1 16 10 28 o 0.860882 0.343441  0.388543     0.888972 1.7856       1.2829   -0.901917    1.23298  1.3328   0.426435  0.764331 0.35106   
1 1 1 16 10 29 o 3.16391  0.147096  10.0433      0.930797 10.8597      1.32098  9.23829      1.31176  3.28518  0.201051  3.02852  0.216568  
1 1 1 16 10 30 o 4.25415  0.113831  18.1415      0.968508 17.3128      1.37099  18.9671      1.36837  4.15031  0.165167  4.34507  0.157462  
1 1 1 16 10 31 o 2.34428  0.18145   5.53462      0.850738 4.64216      1.18727  6.4764       1.21963  2.13701  0.277787  2.5292   0.24111   
1 1 1 16 10 32 o 1.34442  0.345145  1.93498      0.932694 0.896029     1.32804  2.9462       1.3102   1.10248  0.424932  1.6499   0.400516  
1 1 1 16 10 33 o 0.835935 0.335622  0.372795     0.856017 0.217237     1.17815  0.546751     1.24587  0.913191 0.382808  1.00108  0.403664  
1 1 1 16 10 34 o 1.76344  0.287244  3.20196      1.01308  4.21171      1.47231  2.29398      1.39614  1.96989  0.387509  1.45276  0.441518  
1 1 1 16 10 35 o 2.8129   0.171925  8.00569      0.967216 7.63253      1.34599  8.40411      1.39082  2.72964  0.24655   2.86535  0.242696  
1 1 1 16 10 36 o 1.53098  0.330763  2.55847      0.984036 2.6147       1.32824  2.49006      1.46508  1.52427  0.42173   1.48778  0.452312  
1 1 1 16 10 37 o 4.09734  0.142166  16.9868      1.16501  17.0953      1.61913  16.8703      1.67757  4.08792  0.198038  4.05684  0.206758  
1 1 1 16 10 38 o 1.22281  0.380199  1.66355      1.02738  0.898137     1.50963  2.32388      1.40218  1.10127  0.444228  1.41886  0.444774  
1 1 1 16 10 39 o 1.66454  0.341063  3.10337      1.09632  4.40871      1.57377  1.8727       1.52809  1.94572  0.416494  1.29946  0.463966  
1 1 1 16 10 40 o 1.0066   0.377361  0.980462     1.02633  -0.476259    1.44977  2.44397      1.45314  0.849699 0.386783  1.4198   0.453806  
1 1 1 16 10 41 o 1.67061  0.333875  3.23728      1.0761   5.39325      1.54517  1.20675      1.49954  2.16336  0.357121  1.10289  0.443626  
1 1 1 16 10 42 o 1.13535  0.379489  1.57825      1.01325  0.66735      1.41586  2.53451      1.45068  0.969238 0.413503  1.37075  0.454074  
1 1 1 16 10 43 o 1.00237  0.38073   1.21151      1.05425  0.181898     1.49053  2.24224      1.49134  0.878183 0.397183  1.24318  0.456904  
1 1 1 16 10 44 o 0.793552 0.348683  0.38689      1.06495  1.06843      1.47162  -0.362426    1.54306  0.959532 0.415705  0.789516 0.372072  
1 1 1 16 10 45 f 0.682529 0.322153  -0.396217    1.1655   0.37147      1.66794  -1.12872     1.62927  0.849557 0.397155  0.714227 0.348491  
1 1 1 16 10 46 o 0.640536 0.313252  -0.796267    1.33921  -0.0473207   1.81482  -1.69168     1.98436  0.757076 0.36911   0.683459 0.341729  
1 1 1 16 11 0  o 6.51646  0.0777052 42.4859      1.0124   42.4859      1.0124   42.4859      1.0124   6.51729  0.0549301 ?        ?         
1 1 1 16 11 1  o 7.57865  0.0619613 57.4419      0.939166 56.6483      1.29603  58.3195      1.36285  7.52574  0.0861062 7.63589  0.08924   
1 1 1 16 11 2  f 9.7414   0.0770527 94.9104      1.5012   93.8021      2.10295  96.062       2.14368  9.68358  0.108583  9.79951  0.109377  
1 1 1 16 11 3  o 9.04937  0.083848  81.907       1.51754  76.8788      1.99938  88.7402      2.33079  8.76648  0.114036  9.41821  0.123739  
1 1 1 16 11 4  o 12.42    0.0983951 154.299      2.44414  151.416      3.39746  157.391      3.5188   12.3018  0.138087  12.5421  0.14028   
1 1 1 16 11 5  o 19.2925  0.155807  372.454      6.01181  370.254      8.58639  374.569      8.42003  19.2287  0.223271  19.341   0.217673  
1 1 1 16 11 6  o 15.1999  0.112682  231.117      3.42553  232.023      4.74104  230.128      4.95488  15.2273  0.155676  15.1645  0.163371  
1 1 1 16 11 7  o 9.98139  0.0746302 99.6426      1.48983  100.669      2.12471  98.6496      2.0896   10.0319  0.105897  9.93081  0.105208  
1 1 1 16 11 8  o 11.4023  0.0894324 130.038      2.03947  129.88       2.92741  130.187      2.84293  11.3941  0.128462  11.4077  0.124606  
1 1 1 16 11 9  o 16.895   0.122644  285.546      4.14416  288.747      5.91583  282.462      5.80714  16.9863  0.174136  16.8004  0.172827  
1 1 1 16 11 10 o 3.78889  0.0645043 14.3571      0.488799 14.4374      0.694706 14.2783      0.687877 3.79929  0.0914259 3.77829  0.0910303 
1 1 1 16 11 11 f 9.94346  0.0767134 98.8844      1.52559  97.8583      2.21249  99.8145      2.10644  9.89104  0.111843  9.98955  0.105432  
1 1 1 16 11 12 o 1.19724  0.181017  1.43421      0.433441 1.46516      0.612324 1.40312      0.613633 1.18614  0.264879  1.16065  0.269322  
1 1 1 16 11 13 o 7.33706  0.065109  53.836       0.955417 54.2751      1.35675  53.404       1.34565  7.36668  0.0920871 7.30731  0.0920752 
1 1 1 16 11 14 o 6.04472  0.0653803 36.541       0.790412 37.165       1.13474  35.9528      1.10162  6.09592  0.0930739 5.99569  0.0918674 
1 1 1 16 11 15 o 11.4934  0.0872229 132.112      2.00497  132.169      2.84097  132.056      2.82998  11.4951  0.123573  11.4903  0.123147  
1 1 1 16 11 16 o 11.5847  0.0888468 134.223      2.05853  135.635      2.93868  132.862      2.88449  11.6448  0.12618   11.5251  0.125139  
1 1 1 16 11 17 o 1.87923  0.161743  3.53319      0.607905 4.11465      0.834649 2.87625      0.887166 2.02767  0.205815  1.69488  0.26172   
1 1 1 16 11 18 o 16.7497  0.123162  280.64       4.12584  276.626      5.62823  285.303      6.06598  16.6271  0.169248  16.8853  0.179624  
1 1 1 16 11 19 o 9.31109  0.088691  86.7114      1.65162  86.3175      2.28423  87.1429      2.39091  9.28918  0.122951  9.33335  0.128084  
1 1 1 16 11 20 o 8.3654   0.0865068 69.9929      1.44733  71.7735      2.05679  68.2464      2.03701  8.47036  0.121411  8.25956  0.123312  
1 1 1 16 11 21 o 10.9627  0.0978713 120.215      2.14587  120.123      2.99842  120.311      3.07237  10.9571  0.136826  10.9655  0.140093  
1 1 1 16 11 22 o 5.70519  0.105408  32.5617      1.20275  34.4387      1.76982  30.9509      1.63952  5.86612  0.150851  5.56124  0.147406  
1 1 1 16 11 23 o 12.5692  0.105193  158.063      2.64438  158.355      3.74864  157.774      3.73084  12.5775  0.149022  12.5544  0.148587  
1 1 1 16 11 24 o 2.44355  0.186872  5.98253      0.913261 6.49855      1.28405  5.45427      1.29918  2.54474  0.252294  2.33043  0.278742  
1 1 1 16 11 25 o 6.78314  0.0967372 46.04        1.31236  45.4182      1.8595   46.6571      1.85244  6.73492  0.138049  6.82631  0.135684  
1 1 1 16 11 26 o 11.6896  0.102204  136.77       2.38945  138.951      3.53895  134.943      3.23929  11.7762  0.150259  11.6066  0.139545  
1 1 1 16 11 27 o 11.7006  0.103344  137.064      2.41837  137.834      3.39664  136.271      3.44403  11.7268  0.144824  11.6596  0.147691  
1 1 1 16 11 28 o 11.1287  0.104691  124.031      2.33016  121.608      3.36779  126.256      3.22737  11.0103  0.152938  11.2208  0.143812  
1 1 1 16 11 29 o 3.50618  0.132351  12.3275      0.928091 13.0052      1.32582  11.6763      1.29961  3.59649  0.184321  3.40714  0.190719  
1 1 1 16 11 30 o 3.23323  0.14356   10.4954      0.928325 11.3323      1.30959  9.65015      1.31614  3.35404  0.195225  3.09298  0.212762  
1 1 1 16 11 31 o 3.53923  0.13054   12.5738      0.92402  13.1596      1.32996  12.0271      1.28474  3.61406  0.183998  3.45478  0.185936  
1 1 1 16 11 32 o 2.28853  0.203998  5.29775      0.933714 5.57432      1.33176  5.03036      1.30947  2.33508  0.285163  2.21646  0.295396  
1 1 1 16 11 33 o 3.42974  0.136296  11.833       0.934921 9.78801      1.29637  14.0494      1.34959  3.10674  0.208638  3.72852  0.180983  
1 1 1 16 11 34 o 1.3558   0.358185  1.99144      0.985919 3.21398      1.43278  0.891956     1.35876  1.70634  0.421717  1.0997   0.428582  
1 1 1 16 11 35 o 2.55884  0.186498  6.63918      0.954437 6.26067      1.34691  7.02094      1.35267  2.46508  0.273198  2.61444  0.258692  
1 1 1 16 11 36 o 0.861214 0.351536  0.371552     0.959028 -1.20073     1.30376  2.2254       1.41569  0.736149 0.345583  1.41528  0.447472  
1 1 1 16 11 37 o 0.763258 0.337872  -0.207906    1.0219   -2.04245     1.38676  1.97205      1.51168  0.680731 0.329524  1.34485  0.46327   
1 1 1 16 11 38 o 2.43418  0.211382  6.11142      1.02908  5.48524      1.4598   6.73002      1.45093  2.26078  0.322853  2.52199  0.287657  
1 1 1 16 11 39 o 1.0027   0.383282  0.896466     1.07404  1.03002      1.51022  0.759788     1.52777  1.11684  0.446873  1.06991  0.441364  
1 1 1 16 11 40 o 0.589188 0.284463  -1.36733     1.00869  0.072733     1.45441  -2.70196     1.40015  0.923996 0.406732  0.623784 0.307874  
1 1 1 16 11 41 o 0.984736 0.375644  0.98199      1.02992  0.580548     1.45923  1.38047      1.45384  0.981589 0.419312  1.12926  0.442662  
1 1 1 16 11 42 o 1.48648  0.351926  2.69759      1.03138  1.78143      1.47621  3.57127      1.44159  1.18503  0.450404  1.64286  0.432704  
1 1 1 16 11 43 o 1.17705  0.388484  1.84807      1.06185  2.24183      1.52626  1.47869      1.47826  1.23747  0.460918  1.08085  0.438102  
1 1 1 16 11 44 o 0.94384  0.379926  1.14786      1.10096  1.93941      1.56613  0.374523     1.548    1.099    0.449018  0.864992 0.395644  
1 1 1 16 11 45 o 0.877785 0.374719  1.01017      1.16399  0.319061     1.65302  1.68987      1.63931  0.828749 0.389067  0.993456 0.434587  
1 1 1 16 11 46 o 0.604453 0.297691  -1.07215     1.25145  -0.541013    1.70157  -1.69795     1.84698  0.716243 0.350934  0.668535 0.333887  
1 1 1 16 12 0  o 12.8733  0.147724  165.837      3.80226  165.837      3.80226  165.837      3.80226  12.8755  0.104423  ?        ?         
1 1 1 16 12 1  o 6.5507   0.0540292 42.9151      0.707859 43.3224      1.0006   42.5071      1.00152  6.58145  0.076017  6.51921  0.0768132 
1 1 1 16 12 2  o 12.4126  0.0980538 154.115      2.43421  154.918      3.46122  153.33       3.42408  12.4432  0.13908   12.3793  0.138298  
1 1 1 16 12 3  o 19.1241  0.147927  365.957      5.65793  362.663      7.93222  369.369      8.07269  19.0321  0.208391  19.2071  0.210149  
1 1 1 16 12 4  o 9.39109  0.0813166 88.2086      1.5273   89.5562      2.22014  86.9979      2.10437  9.46162  0.117323  9.32563  0.112827  
1 1 1 16 12 5  f 12.0341  0.0936161 144.854      2.25318  143.801      3.16272  145.94       3.21076  11.9889  0.131902  12.0777  0.132921  
1 1 1 16 12 6  o 12.4077  0.0942448 153.985      2.33871  152.539      3.28131  155.478      3.33421  12.3478  0.13287   12.4662  0.13373   
1 1 1 16 12 7  o 8.89384  0.068078  79.1096      1.21095  79.2042      1.73053  79.0189      1.6951   8.8986   0.0972362 8.88823  0.0953565 
1 1 1 16 12 8  o 10.8012  0.0878404 116.688      1.89757  120.043      2.79197  113.809      2.58688  10.9542  0.127438  10.6662  0.121266  
1 1 1 16 12 9  o 8.42852  0.0692324 71.048       1.16705  72.0954      1.64713  69.992       1.65382  8.48994  0.0970046 8.36514  0.0988517 
1 1 1 16 12 10 f 21.3668  0.149782  456.769      6.40073  458.056      9.07821  455.498      9.02601  21.3913  0.212194  21.3316  0.211565  
1 1 1 16 12 11 o 7.8549   0.0664114 61.7046      1.04331  62.2645      1.48853  61.1639      1.46273  7.89011  0.0943289 7.82008  0.0935243 
1 1 1 16 12 12 o 14.8917  0.105478  221.804      3.14149  223.077      4.46573  220.557      4.4201   14.9329  0.149526  14.8484  0.148841  
1 1 1 16 12 13 o 12.0332  0.0881402 144.815      2.12122  146.011      3.0539   143.7        2.94859  12.0821  0.126381  11.9861  0.123     
1 1 1 16 12 14 o 7.15241  0.0683343 51.1606      0.97751  51.3244      1.37712  50.9941      1.38776  7.16361  0.0961189 7.14051  0.0971753 
1 1 1 16 12 15 o 7.08036  0.0679347 50.135       0.962005 51.0458      1.35523  49.2099      1.36579  7.14414  0.0948489 7.01446  0.0973556 
1 1 1 16 12 16 f 17.2583  0.123668  297.924      4.26859  298.719      6.12253  297.173      5.95438  17.2789  0.177168  17.2344  0.172747  
1 1 1 16 12 17 o 20.5826  0.143571  423.814      5.91013  422.574      8.33394  425.07       8.38265  20.5483  0.202789  20.6089  0.203375  
1 1 1 16 12 18 f 14.2835  0.106121  204.067      3.03157  200.37       4.21479  208.031      4.36365  14.1519  0.148913  14.4198  0.151308  
1 1 1 16 12 19 o 14.3113  0.116117  204.875      3.32355  203.237      4.60423  206.657      4.80246  14.2519  0.161531  14.371   0.167088  
1 1 1 16 12 20 o 5.63678  0.0910444 31.7802      1.0264   32.1041      1.40344  31.4077      1.50495  5.66491  0.123871  5.60293  0.134301  
1 1 1 16 12 21 o 10.207   0.101674  104.215      2.07557  106.161      2.92099  102.23       2.94981  10.3003  0.141792  10.1077  0.145919  
1 1 1 16 12 22 o 10.4364  0.098918  108.958      2.06469  111.14       2.894    106.695      2.94654  10.5386  0.137305  10.3254  0.142684  
1 1 1 16 12 23 o 9.2653   0.0935724 85.8817      1.73395  88.481       2.4906   83.4368      2.41548  9.40247  0.132444  9.13053  0.132275  
1 1 1 16 12 24 o 5.6238   0.0980792 31.6449      1.10316  31.4926      1.55886  31.7976      1.56134  5.60867  0.138969  5.63579  0.13852   
1 1 1 16 12 25 o 3.91452  0.125038  15.3406      0.978931 13.7484      1.35917  17.0567      1.41112  3.70339  0.183504  4.12563  0.171019  
1 1 1 16 12 26 o 10.9999  0.100019  121.112      2.20039  121.125      3.18975  121.1        3.03935  10.9949  0.145056  10.9947  0.138218  
1 1 1 16 12 27 o 4.8173   0.107199  23.2366      1.03282  25.3962      1.5221   21.3937      1.40605  5.03293  0.151214  4.61926  0.152194  
1 1 1 16 12 28 o 8.54088  0.0987498 73.0458      1.68682  72.6981      2.44634  73.361       2.32904  8.51405  0.143665  8.55404  0.136137  
1 1 1 16 12 29 o 2.3926   0.184701  5.75693      0.883833 5.88814      1.25717  5.62871      1.24281  2.4129   0.26051   2.35884  0.263437  
1 1 1 16 12 30 o 2.66241  0.167792  7.12823      0.893463 8.56854      1.25656  5.65544      1.27065  2.91378  0.215624  2.3612   0.269069  
1 1 1 16 12 31 o 3.71269  0.128281  13.8366      0.952538 13.2653      1.35144  14.4006      1.34279  3.62764  0.18627   3.78106  0.177568  
1 1 1 16 12 32 o 0.872283 0.343339  0.479512     0.877491 0.74503      1.23804  0.21147      1.2439   1.04438  0.408673  0.936057 0.392913  
1 1 1 16 12 33 o 1.03411  0.347414  1.05662      0.849204 1.63647      1.20404  0.482672     1.1979   1.25972  0.413677  0.971454 0.394122  
1 1 1 16 12 34 f 2.73515  0.181799  7.57051      0.994496 8.05882      1.48167  7.17016      1.3416   2.80327  0.264275  2.64684  0.253434  
1 1 1 16 12 35 o 1.25337  0.364717  1.69708      0.969118 2.22564      1.35413  1.14211      1.38756  1.42497  0.435175  1.15553  0.437406  
1 1 1 16 12 36 o 2.36991  0.215614  5.75327      1.02197  5.04311      1.38593  6.59962      1.51299  2.18881  0.316595  2.50978  0.301419  
1 1 1 16 12 37 o 0.840576 0.35043   0.272727     0.97879  0.241254     1.3667   0.305866     1.40243  0.953477 0.406504  0.974463 0.413494  
1 1 1 16 12 38 o 0.803235 0.34575   0.0790419    1.00557  -0.831103    1.42062  0.992942     1.42355  0.807945 0.373359  1.09787  0.435665  
1 1 1 16 12 39 o 1.16952  0.386268  1.51904      1.04977  1.20493      1.47688  1.83982      1.49245  1.14247  0.4465    1.28466  0.458539  
1 1 1 16 12 40 o 1.44589  0.353045  2.43192      1.01348  1.91397      1.45837  2.9157       1.40943  1.27527  0.453465  1.53754  0.437416  
1 1 1 16 12 41 o 1.66022  0.325885  3.1899       1.04351  3.29325      1.5036   3.09386      1.44939  1.59016  0.451602  1.54599  0.444788  
1 1 1 16 12 42 o 2.09838  0.254614  4.84522      1.06855  6.26974      1.51738  3.44382      1.50502  2.31892  0.327174  1.58333  0.452505  
1 1 1 16 12 43 o 0.682893 0.315995  -0.379203    1.02205  -0.186409    1.45833  -0.565305    1.4328   0.821852 0.379211  0.772919 0.362743  
1 1 1 16 12 44 o 0.578008 0.282826  -1.36683     1.0956   -1.40456     1.55888  -1.33        1.54012  0.69455  0.339271  0.696288 0.339573  
1 1 1 16 12 45 o 0.901972 0.381262  1.23517      1.18483  2.81818      1.66192  -0.401058    1.68962  1.14266  0.463984  0.754004 0.364775  
1 1 1 16 12 46 o 0.849637 0.378179  1.15302      1.30188  0.716059     1.71598  1.74563      1.99838  0.812071 0.386739  0.906016 0.425935  
1 1 1 16 13 0  o 9.96531  0.10826   99.3587      2.15712  99.3587      2.15712  99.3587      2.15712  9.96659  0.0765316 ?        ?         
1 1 1 16 13 1  o 12.208   0.0914352 149.07       2.23248  149.199      3.08205  148.927      3.23815  12.212   0.126189  12.2006  0.132705  
1 1 1 16 13 2  o 14.669   0.114831  215.258      3.36892  216.947      4.79543  213.612      4.73392  14.7238  0.162847  14.6102  0.162007  
1 1 1 16 13 3  o 7.75182  0.0683577 60.0983      1.05979  59.7807      1.51402  60.4034      1.48398  7.73079  0.0979214 7.771    0.0954819 
1 1 1 16 13 4  o 7.33336  0.0680696 53.7848      0.998358 52.442       1.33407  55.4941      1.50514  7.24087  0.0921208 7.44842  0.101038  
1 1 1 16 13 5  o 9.44351  0.0800839 89.1947      1.51255  90.5688      2.20474  87.973       2.07892  9.5151   0.115855  9.37789  0.110842  
1 1 1 16 13 6  o 4.03478  0.0588082 16.2809      0.474557 16.8222      0.674918 15.7516      0.667395 4.10114  0.0822843 3.96847  0.0840872 
1 1 1 16 13 7  o 14.1038  0.101163  198.967      2.85355  204.457      4.13226  193.963      3.94529  14.2951  0.144534  13.9236  0.141677  
1 1 1 16 13 8  f 4.51661  0.0569514 20.4013      0.514454 20.2131      0.73421  20.5828      0.721065 4.49554  0.0816598 4.53649  0.0794739 
1 1 1 16 13 9  o 4.54596  0.0570395 20.6673      0.518598 20.5233      0.732151 20.8123      0.734672 4.52991  0.080813  4.5617   0.080526  
1 1 1 16 13 10 o 20.7852  0.149288  432.22       6.206    436.926      8.86408  427.695      8.69166  20.8932  0.212129  20.6715  0.210233  
1 1 1 16 13 11 o 20.9439  0.144106  438.807      6.03628  434.162      8.45544  443.634      8.62011  20.8289  0.202973  21.0548  0.204707  
1 1 1 16 13 12 o 12.2791  0.0908227 150.795      2.23044  149.93       3.11005  151.711      3.20052  12.243   0.127013  12.3155  0.129939  
1 1 1 16 13 13 o 11.4447  0.0838973 130.994      1.92035  131.332      2.7236   130.659      2.70804  11.4588  0.118843  11.4294  0.118468  
1 1 1 16 13 14 o 10.5482  0.0814892 111.276      1.71913  109.72       2.40642  112.897      2.45679  10.4737  0.11488   10.6242  0.115622  
1 1 1 16 13 15 o 7.05665  0.0739372 49.8004      1.0435   49.1024      1.48789  50.4761      1.46386  7.0067   0.106176  7.10407  0.10303   
1 1 1 16 13 16 o 11.4882  0.0910071 131.997      2.09101  131.262      2.94857  132.741      2.96577  11.4553  0.128699  11.5196  0.128727  
1 1 1 16 13 17 o 13.5891  0.10007   184.701      2.71973  180.709      3.81749  188.816      3.87573  13.44    0.142019  13.7383  0.141056  
1 1 1 16 13 18 o 14.8461  0.114697  220.469      3.4056   215.407      4.59603  226.634      5.07148  14.6729  0.156617  15.0497  0.168491  
1 1 1 16 13 19 o 26.9817  0.199187  728.698      10.7488  727.435      15.1696  729.972      15.2328  26.9455  0.281487  26.9923  0.282169  
1 1 1 16 13 20 o 11.89    0.104327  141.414      2.48089  141.869      3.41973  140.907      3.6046   11.9075  0.143595  11.8667  0.151879  
1 1 1 16 13 21 o 7.61336  0.0999608 57.9816      1.52208  59.2283      2.03934  56.4138      2.28695  7.69385  0.132531  7.50816  0.152298  
1 1 1 16 13 22 o 5.86989  0.0986004 34.4692      1.15755  34.3844      1.59901  34.5626      1.67787  5.86158  0.136398  5.87654  0.14276   
1 1 1 16 13 23 o 3.79605  0.125052  14.4214      0.94941  13.3976      1.32623  15.4975      1.35974  3.65723  0.181316  3.93372  0.172831  
1 1 1 16 13 24 o 2.20672  0.210231  4.88277      0.927844 5.02604      1.26991  4.7187       1.35895  2.23635  0.283926  2.16571  0.313742  
1 1 1 16 13 25 o 6.66753  0.092354  44.4845      1.23154  44.1091      1.75476  44.849       1.72886  6.63704  0.132195  6.69268  0.129161  
1 1 1 16 13 26 f 6.57736  0.0931475 43.2997      1.22533  41.8364      1.73763  44.7472      1.72816  6.46223  0.134445  6.68371  0.129281  
1 1 1 16 13 27 o 2.8731   0.152667  8.27754      0.877255 8.49984      1.26973  8.07451      1.21343  2.90721  0.218377  2.83385  0.214096  
1 1 1 16 13 28 o 4.00467  0.127757  16.0751      1.02325  15.2246      1.47575  16.8626      1.42004  3.89176  0.189599  4.0975   0.173281  
1 1 1 16 13 29 o 3.5659   0.128534  12.7521      0.916678 13.0353      1.3093   12.4799      1.28383  3.60005  0.181845  3.52248  0.182234  
1 1 1 16 13 30 o 2.96027  0.153332  8.80525      0.907806 9.13617      1.28145  8.47186      1.28622  3.00878  0.212952  2.89618  0.222055  
1 1 1 16 13 31 o 2.04958  0.218877  4.24941      0.897212 4.59978      1.27488  3.9056       1.2629   2.12172  0.300436  1.95175  0.32353   
1 1 1 16 13 32 o 3.75603  0.129573  14.1769      0.973363 14.2944      1.36218  14.0544      1.39138  3.76295  0.180998  3.73013  0.186505  
1 1 1 16 13 33 o 1.91303  0.240938  3.73298      0.921846 4.69966      1.32896  2.8365       1.2798   2.13213  0.311651  1.60942  0.399059  
1 1 1 16 13 34 o 1.76258  0.263101  3.18735      0.927473 3.17749      1.34692  3.19624      1.279    1.69975  0.402018  1.71007  0.383475  
1 1 1 16 13 35 o 1.88435  0.252481  3.65201      0.951527 4.36179      1.32844  2.90419      1.36357  2.04058  0.325506  1.61193  0.419119  
1 1 1 16 13 36 o 4.39311  0.129154  19.475       1.13477  20.6936      1.59429  18.2237      1.61554  4.51061  0.176727  4.22686  0.191104  
1 1 1 16 13 37 o 1.3749   0.354106  2.11129      0.979418 1.79387      1.36091  2.45234      1.41064  1.285    0.4398    1.46063  0.443785  
1 1 1 16 13 38 o 3.63238  0.153034  13.4249      1.11175  11.8263      1.5589   15.0795      1.58595  3.37253  0.231118  3.82248  0.207451  
1 1 1 16 13 39 o 1.05228  0.383086  1.12258      1.04622  0.808683     1.47262  1.44247      1.48664  1.06035  0.434678  1.18964  0.45204   
1 1 1 16 13 40 o 2.6507   0.199326  7.31879      1.05671  7.74286      1.50811  6.90979      1.48108  2.67377  0.28202   2.51735  0.294173  
1 1 1 16 13 41 o 0.998009 0.375365  1.04802      1.01714  1.43523      1.45034  0.673258     1.42684  1.13522  0.442715  0.986961 0.417849  
1 1 1 16 13 42 o 1.44441  0.366363  2.61929      1.0604   2.26228      1.4941   2.98164      1.50522  1.27698  0.458493  1.45174  0.461649  
1 1 1 16 13 43 o 1.48251  0.354598  2.81298      1.03879  3.50786      1.48587  2.14865      1.45283  1.54603  0.45216   1.21232  0.450063  
1 1 1 16 13 44 o 0.956063 0.386138  1.26024      1.14264  0.87233      1.58342  1.68174      1.65054  0.916329 0.412171  1.03337  0.443836  
1 1 1 16 13 45 f 0.694666 0.325617  -0.0133659   1.14165  -1.45371     1.61849  1.41299      1.61061  0.662167 0.327825  0.913987 0.41315   
1 1 1 16 13 46 o 0.632119 0.307796  -0.633485    1.24732  -1.04274     1.66988  -0.116968    1.876    0.670024 0.332024  0.749239 0.367538  
1 1 1 16 14 0  o 15.0762  0.166133  227.459      5.00795  227.459      5.00795  227.459      5.00795  15.079   0.117436  ?        ?         
1 1 1 16 14 1  o 11.5934  0.0898234 134.436      2.08272  133.803      2.86006  135.151      3.03889  11.565   0.123652  11.6228  0.13073   
1 1 1 16 14 2  o 23.5411  0.178408  554.648      8.39982  557.528      11.7826  551.671      11.9781  23.5925  0.249711  23.4674  0.255207  
1 1 1 16 14 3  o 6.98479  0.0707963 48.7937      0.988995 49.9215      1.42119  47.7347      1.37715  7.06457  0.100586  6.90813  0.099676  
1 1 1 16 14 4  o 16.3387  0.139737  267.086      4.56623  266.54       6.44529  267.636      6.47002  16.3178  0.197493  16.3513  0.197844  
1 1 1 16 14 5  o 16.4262  0.132153  269.938      4.34156  266.684      5.89837  273.786      6.41372  16.3237  0.180669  16.5386  0.193902  
1 1 1 16 14 6  o 9.36247  0.0743251 87.6677      1.39173  87.7297      1.99678  87.6091      1.94082  9.36509  0.106608  9.35872  0.103691  
1 1 1 16 14 7  o 5.15108  0.0555918 26.5356      0.572716 26.1928      0.830213 26.8469      0.791089 5.11748  0.0811154 5.18104  0.0763447 
1 1 1 16 14 8  o 8.77381  0.070667  76.9887      1.24004  76.3499      1.74205  77.6448      1.76555  8.73682  0.0996958 8.81058  0.100195  
1 1 1 16 14 9  o 9.53811  0.0735992 90.9859      1.404    91.5999      2.0184   90.4104      1.95426  9.56964  0.105458  9.50736  0.102776  
1 1 1 16 14 10 o 14.0121  0.102782  196.376      2.88038  196.134      4.11383  196.609      4.03428  14.002   0.146902  14.019   0.143886  
1 1 1 16 14 11 o 22.0886  0.148594  488.081      6.56448  489.655      9.31806  486.529      9.24946  22.12    0.210625  22.0494  0.209744  
1 1 1 16 14 12 o 7.59674  0.0663168 57.7142      1.00758  57.5666      1.41397  57.8665      1.43617  7.58678  0.0931865 7.6065   0.0944039 
1 1 1 16 14 13 o 2.86607  0.0836571 8.21518      0.479533 8.33348      0.677629 8.09651      0.678698 2.88648  0.11738   2.84513  0.119274  
1 1 1 16 14 14 o 20.6123  0.143009  424.998      5.89549  423.892      8.13596  426.22       8.55477  20.5825  0.197643  20.6383  0.207255  
1 1 1 16 14 15 o 18.7239  0.129766  350.678      4.85943  351.474      6.96316  349.923      6.78486  18.7423  0.18576   18.7011  0.181402  
1 1 1 16 14 16 o 8.36834  0.0842718 70.0384      1.41043  71.7137      2.13754  68.7465      1.87705  8.46711  0.126226  8.29035  0.113207  
1 1 1 16 14 17 o 23.9348  0.161842  573.186      7.7473   572.154      10.941   574.225      10.9718  23.9067  0.228827  23.9499  0.229057  
1 1 1 16 14 18 o 3.5425   0.123074  12.5535      0.871975 12.5545      1.18352  12.5522      1.28962  3.54214  0.167063  3.54161  0.182066  
1 1 1 16 14 19 o 8.25215  0.0877525 68.1109      1.44829  70.554       2.06415  65.742       2.03261  8.39805  0.122895  8.10655  0.125368  
1 1 1 16 14 20 o 19.452   0.144723  378.607      5.63032  379.905      7.98596  377.324      7.93921  19.4794  0.204985  19.4132  0.20448   
1 1 1 16 14 21 o 8.88734  0.0972136 79.0101      1.72794  78.8793      2.45548  79.1384      2.43204  8.87853  0.138282  8.89316  0.136737  
1 1 1 16 14 22 o 7.05768  0.093784  49.8302      1.32379  51.1859      1.89382  48.5349      1.85116  7.15163  0.132405  6.96395  0.13291   
1 1 1 16 14 23 o 10.4392  0.0994771 109.034      2.07691  112.228      2.92472  105.785      2.94985  10.5884  0.13811   10.2795  0.143481  
1 1 1 16 14 24 o 3.63304  0.13086   13.2135      0.950842 12.4587      1.29812  14.0873      1.39667  3.52579  0.184089  3.74907  0.186268  
1 1 1 16 14 25 o 7.03596  0.0932964 49.5395      1.31286  50.8095      1.89229  48.3608      1.82297  7.12297  0.13283   6.94933  0.131162  
1 1 1 16 14 26 o 6.79122  0.0922466 46.1622      1.25294  46.9525      1.76946  45.3675      1.77439  6.84619  0.12923   6.7294   0.131838  
1 1 1 16 14 27 o 3.16845  0.13795   10.063       0.874179 10.2381      1.28733  9.9132       1.19085  3.19157  0.201678  3.14145  0.189537  
1 1 1 16 14 28 f 2.09906  0.212652  4.43576      0.89274  3.09787      1.25641  5.80001      1.26873  1.70922  0.377629  2.39571  0.264793  
1 1 1 16 14 29 o 2.0147   0.21079   4.09166      0.849356 4.34309      1.21795  3.85364      1.18506  2.06778  0.294508  1.94675  0.304369  
1 1 1 16 14 30 o 6.71824  0.097338  45.2243      1.30788  43.9113      1.85785  46.5142      1.8415   6.61301  0.140469  6.8072   0.135261  
1 1 1 16 14 31 o 2.9492   0.155855  8.75131      0.919293 8.27645      1.30249  9.22267      1.29768  2.85821  0.227851  3.01933  0.214895  
1 1 1 16 14 32 o 4.81119  0.109614  23.2312      1.05475  22.9177      1.48773  23.5481      1.49559  4.76987  0.155951  4.83532  0.154652  
1 1 1 16 14 33 o 2.35246  0.213889  5.62528      1.00633  5.39003      1.42224  5.86114      1.4241   2.28189  0.311636  2.38278  0.298831  
1 1 1 16 14 34 o 1.52955  0.300783  2.49761      0.887341 2.34502      1.26459  2.6456       1.24541  1.46103  0.41391   1.55     0.399365  
1 1 1 16 14 35 o 4.96193  0.115938  24.7816      1.15055  24.2312      1.61558  25.3479      1.63892  4.8904   0.165179  5.00235  0.163815  
1 1 1 16 14 36 o 1.32721  0.36168   1.95652      0.986029 0.843805     1.3466   3.24277      1.44781  1.06674  0.423595  1.68327  0.428769  
1 1 1 16 14 37 o 1.56191  0.322594  2.68217      0.973376 3.01774      1.39291  2.36189      1.36078  1.61579  0.425226  1.43435  0.435885  
1 1 1 16 14 38 o 3.49527  0.156641  12.4425      1.095    11.9062      1.5418   12.9882      1.55543  3.38515  0.22773   3.54025  0.219678  
1 1 1 16 14 39 o 1.47155  0.361128  2.49681      1.05633  4.1031       1.51582  0.980276     1.47286  1.86084  0.417598  1.08941  0.439056  
1 1 1 16 14 40 o 3.33572  0.1621    11.4479      1.08144  11.1612      1.53004  11.7342      1.52873  3.24306  0.235895  3.3304   0.229512  
1 1 1 16 14 41 o 2.10008  0.245114  4.75526      1.02952  5.72652      1.46353  3.80384      1.4485   2.24204  0.326384  1.73121  0.42167   
1 1 1 16 14 42 o 0.723237 0.327745  -0.160419    1.01983  0.833973     1.44726  -1.1412      1.43732  0.979946 0.418067  0.728504 0.348723  
1 1 1 16 14 43 f 0.917511 0.366122  0.935001     1.01049  2.65059      1.41945  -0.82778     1.43884  1.32415  0.44916   0.740583 0.35316   
1 1 1 16 14 44 o 1.34878  0.392095  2.71284      1.12061  2.65375      1.56771  2.77458      1.60244  1.21103  0.463022  1.22954  0.468696  
1 1 1 16 14 45 o 1.04493  0.411132  2.09045      1.25777  2.58493      1.75127  1.56366      1.80756  1.0491   0.453983  0.91738  0.422867  
1 1 1 16 14 46 o 0.695722 0.331721  0.127423     1.2683   0.00268397   1.7692   0.259305     1.81915  0.732749 0.358744  0.75245  0.367339  
1 1 1 16 15 0  f 6.90426  0.0814762 47.6927      1.12471  47.6927      1.12471  47.6927      1.12471  6.90512  0.0575961 ?        ?         
1 1 1 16 15 1  o 17.9538  0.127144  322.471      4.56542  322.205      6.3794   322.751      6.53644  17.9427  0.177771  17.9576  0.181997  
1 1 1 16 15 2  o 4.16147  0.0495364 17.319       0.412289 16.6614      0.559776 18.0985      0.609525 4.0816   0.0685732 4.25396  0.0716422 
1 1 1 16 15 3  o 5.19466  0.0672612 26.9876      0.698798 28.1318      1.00874  25.9319      0.968958 5.30333  0.0951045 5.09175  0.0951499 
1 1 1 16 15 4  o 10.894   0.0901601 118.703      1.9644   118.72       2.74251  118.684      2.81508  10.8937  0.125876  10.8919  0.129227  
1 1 1 16 15 5  o 6.28509  0.0672284 39.5067      0.845074 39.1644      1.20842  39.8344      1.18224  6.25742  0.0965592 6.31077  0.0936682 
1 1 1 16 15 6  o 23.3204  0.166481  544.202      7.7648   547.415      11.0429  541.059      10.9203  23.3811  0.23615   23.2451  0.234894  
1 1 1 16 15 7  o 5.96097  0.057682  35.536       0.687682 36.0572      0.987916 35.046       0.95784  6.00428  0.0822676 5.9195   0.0809054 
1 1 1 16 15 8  o 7.77205  0.0666404 60.4105      1.03586  59.9101      1.4549   60.925       1.47518  7.73941  0.093993  7.80468  0.0945059 
1 1 1 16 15 9  o 12.0208  0.0888449 144.522      2.13598  142.6        2.98732  146.533      3.05528  11.9397  0.1251    12.1032  0.126218  
1 1 1 16 15 10 o 22.46    0.15423   504.656      6.92801  509.454      9.88853  500.03       9.70929  22.5618  0.219143  22.3523  0.217188  
1 1 1 16 15 11 o 36.0546  0.239688  1301.07      17.2838  1295.72      24.3381  1306.52      24.5491  35.9643  0.338365  36.1135  0.339888  
1 1 1 16 15 12 f 11.9674  0.0862723 143.234      2.06491  145.14       2.95456  141.413      2.88704  12.0461  0.122636  11.8904  0.121402  
1 1 1 16 15 13 o 5.00071  0.0637119 25.0087      0.63721  24.3375      0.903271 25.6735      0.899046 4.93299  0.0915541 5.0666   0.0887228 
1 1 1 16 15 14 o 23.1505  0.155926  536.141      7.21952  531.576      10.1307  540.851      10.291   23.0473  0.219781  23.2474  0.221337  
1 1 1 16 15 15 o 6.31762  0.0705712 39.9157      0.891683 36.6082      1.21422  43.7875      1.31372  6.04994  0.100349  6.61664  0.0992736 
1 1 1 16 15 16 o 20.7355  0.147887  430.149      6.13301  425.227      8.5838   435.282      8.76583  20.612   0.208223  20.8541  0.21017   
1 1 1 16 15 17 o 8.46361  0.0775326 71.6419      1.31241  72.4123      1.88434  70.916       1.82896  8.50843  0.110734  8.42011  0.108607  
1 1 1 16 15 18 o 2.41768  0.162278  5.84869      0.784673 6.57625      1.14004  5.19375      1.08165  2.56296  0.222407  2.2775   0.237465  
1 1 1 16 15 19 o 6.58891  0.0825359 43.4215      1.08764  44.1173      1.50453  42.6597      1.57415  6.64097  0.113276  6.53019  0.120529  
1 1 1 16 15 20 o 7.41944  0.0925806 55.0622      1.37379  54.6443      1.93537  55.4866      1.95039  7.39027  0.13094   7.44701  0.130951  
1 1 1 16 15 21 o 8.17295  0.0973953 66.8203      1.59201  67.56        2.3481   66.1911      2.16583  8.21639  0.142891  8.13313  0.133149  
1 1 1 16 15 22 o 3.09097  0.144279  9.56339      0.891921 9.25363      1.2613   9.87322      1.26143  3.03889  0.207527  3.13918  0.200917  
1 1 1 16 15 23 o 7.79939  0.0928552 60.8601      1.44843  59.5911      2.03943  62.1517      2.05746  7.71572  0.13216   7.87984  0.130552  
1 1 1 16 15 24 o 4.17793  0.114774  17.4708      0.959037 16.3252      1.31963  18.7531      1.39617  4.03672  0.163453  4.32659  0.161348  
1 1 1 16 15 25 o 5.42326  0.103924  29.4395      1.12721  29.9609      1.59218  28.9155      1.59606  5.46858  0.145575  5.37212  0.14855   
1 1 1 16 15 26 o 7.09308  0.0921037 50.3585      1.3066   50.4127      1.82332  50.3012      1.8733   7.09378  0.128516  7.08557  0.132191  
1 1 1 16 15 27 o 4.74732  0.104571  22.5697      0.992861 21.6135      1.40395  23.5264      1.40428  4.642    0.151223  4.84365  0.144961  
1 1 1 16 15 28 o 2.93964  0.150854  8.67211      0.886911 8.44624      1.25012  8.90102      1.25849  2.89564  0.215862  2.97299  0.211654  
1 1 1 16 15 29 f 4.67728  0.106225  21.9236      0.993689 21.6217      1.42993  22.2055      1.38188  4.63951  0.154103  4.70268  0.146924  
1 1 1 16 15 30 o 2.1263   0.201023  4.56076      0.85487  4.25783      1.20145  4.8714       1.21663  2.04454  0.29382   2.189    0.277896  
1 1 1 16 15 31 o 4.13643  0.125894  17.1825      1.0415   19.1562      1.49427  15.3177      1.45244  4.35984  0.171368  3.89589  0.186407  
1 1 1 16 15 32 o 1.92797  0.221379  3.77361      0.853623 4.67016      1.21032  2.88624      1.20411  2.13446  0.28352   1.63279  0.376212  
1 1 1 16 15 33 o 3.95697  0.132184  15.7561      1.0461   16.2762      1.48079  15.2379      1.47802  4.00968  0.184652  3.87814  0.190558  
1 1 1 16 15 34 o 1.1053   0.351669  1.2723       0.873372 1.35279      1.26681  1.19939      1.20572  1.18593  0.422541  1.13637  0.411492  
1 1 1 16 15 35 o 3.51062  0.13999   12.4453      0.982907 12.7396      1.3911   12.1519      1.38898  3.53536  0.196741  3.45135  0.201223  
1 1 1 16 15 36 o 1.97889  0.252413  4.06023      0.998995 4.41312      1.39562  3.68943      1.43061  2.00117  0.361982  1.80596  0.405976  
1 1 1 16 15 37 o 0.965834 0.359473  0.844883     0.928014 1.3909       1.31864  0.309056     1.30627  1.17629  0.429896  0.944481 0.399832  
1 1 1 16 15 38 o 1.40135  0.351662  2.22558      0.984874 2.59874      1.39152  1.85101      1.39413  1.48403  0.438705  1.28568  0.444699  
1 1 1 16 15 39 o 2.13771  0.237746  4.79718      1.01647  6.70643      1.45298  2.96718      1.4225   2.49831  0.290792  1.56597  0.437502  
1 1 1 16 15 40 o 1.07831  0.37318   1.31748      0.981882 1.47699      1.39466  1.16072      1.3826   1.15238  0.437846  1.08317  0.429504  
1 1 1 16 15 41 o 2.22274  0.227725  5.28532      1.01235  5.12373      1.4214   5.45168      1.44217  2.10735  0.337249  2.17917  0.3309    
1 1 1 16 15 42 o 0.673922 0.313664  -0.490073    1.02598  -0.537857    1.46985  -0.444671    1.43276  0.791987 0.370918  0.79376  0.369913  
1 1 1 16 15 43 o 1.45326  0.371715  2.83906      1.08479  2.08511      1.52019  3.6213       1.54845  1.16434  0.453417  1.51869  0.465669  
1 1 1 16 15 44 o 0.586344 0.285986  -1.20665     1.09347  -0.508831    1.54799  -1.90161     1.54481  0.756938 0.36223   0.651622 0.32204   
1 1 1 16 15 45 o 0.675469 0.322145  -0.188185    1.19807  -0.605447    1.65317  0.273382     1.73873  0.709921 0.347384  0.784341 0.377397  
1 1 1 16 15 46 o 0.595522 0.294806  -0.947729    1.30818  -2.56689     1.91024  0.482296     1.79521  0.601761 0.30594   0.73816  0.361388  
1 1 1 16 16 0  o 21.5183  0.300696  463.832      12.9353  463.832      12.9353  463.832      12.9353  21.5275  0.212487  ?        ?         
1 1 1 16 16 1  o 20.0619  0.198299  402.796      7.95478  402.796      7.95478  402.796      7.95478  20.0658  0.140176  ?        ?         
1 1 1 16 16 2  o 5.18165  0.074028  26.8678      0.766823 26.8678      0.766823 26.8678      0.766823 5.18253  0.0523248 ?        ?         
1 1 1 16 16 3  o 4.56104  0.0845646 20.8264      0.770807 20.8264      0.770807 20.8264      0.770807 4.56232  0.0597562 ?        ?         
1 1 1 16 16 4  o 15.4435  0.162777  238.657      5.02643  238.657      5.02643  238.657      5.02643  15.446   0.115067  ?        ?         
1 1 1 16 16 5  o 18.5367  0.198635  343.887      7.36216  343.887      7.36216  343.887      7.36216  18.5404  0.14041   ?        ?         
1 1 1 16 16 6  o 13.0408  0.14849   170.172      3.87172  170.172      3.87172  170.172      3.87172  13.0429  0.104966  ?        ?         
1 1 1 16 16 7  o 22.5615  0.228146  509.464      10.2923  509.464      10.2923  509.464      10.2923  22.5663  0.16127   ?        ?         
1 1 1 16 16 8  o 14.8587  0.154536  220.904      4.5913   220.904      4.5913   220.904      4.5913   14.8608  0.109245  ?        ?         
1 1 1 16 16 9  o 21.1778  0.21039   448.802      8.90919  448.802      8.90919  448.802      8.90919  21.1813  0.148727  ?        ?         
1 1 1 16 16 10 o 13.8968  0.139872  193.209      3.88665  193.209      3.88665  193.209      3.88665  13.8984  0.0988816 ?        ?         
1 1 1 16 16 11 o 6.03303  0.0918444 36.425       1.10762  36.425       1.10762  36.425       1.10762  6.03417  0.0649145 ?        ?         
1 1 1 16 16 12 o 6.154    0.0870884 37.8966      1.0714   37.8966      1.0714   37.8966      1.0714   6.15501  0.0615568 ?        ?         
1 1 1 16 16 13 o 7.41409  0.0931498 54.9983      1.38075  54.9983      1.38075  54.9983      1.38075  7.41509  0.0658463 ?        ?         
1 1 1 16 16 14 f 4.19489  0.101481  17.6294      0.850276 17.6294      0.850276 17.6294      0.850276 4.19681  0.0716772 ?        ?         
1 1 1 16 16 15 o 3.58624  0.126512  12.911       0.904845 12.911       0.904845 12.911       0.904845 3.58973  0.089243  ?        ?         
1 1 1 16 16 16 o 8.85312  0.113116  78.4264      2.00213  78.4264      2.00213  78.4264      2.00213  8.8545   0.0799581 ?        ?         
1 1 1 16 16 17 o 28.5711  0.271353  817.183      15.5026  817.183      15.5026  817.183      15.5026  28.5787  0.191805  ?        ?         
1 1 1 16 16 18 o 7.73711  0.127152  59.923       1.96638  59.923       1.96638  59.923       1.96638  7.73905  0.0898603 ?        ?         
1 1 1 16 16 19 o 4.71064  0.129019  22.2451      1.21347  22.2451      1.21347  22.2451      1.21347  4.71357  0.091096  ?        ?         
1 1 1 16 16 20 o 5.38736  0.157284  29.1091      1.69143  29.1091      1.69143  29.1091      1.69143  5.39133  0.111027  ?        ?         
1 1 1 16 16 21 o 9.01578  0.127043  81.359       2.28976  81.359       2.28976  81.359       2.28976  9.01785  0.0897922 ?        ?         
1 1 1 16 16 22 o 2.15995  0.28469   4.91274      1.18211  4.91274      1.18211  4.91274      1.18211  2.18998  0.194362  ?        ?         
1 1 1 16 16 23 o 1.0234   0.501413  1.55884      1.2065   1.55884      1.2065   1.55884      1.2065   1.06122  0.41949   ?        ?         
1 1 1 16 16 24 o 1.24201  0.495584  2.14913      1.18646  2.14913      1.18646  2.14913      1.18646  1.3383   0.363271  ?        ?         
1 1 1 16 16 25 o 4.58989  0.154997  21.1632      1.41916  21.1632      1.41916  21.1632      1.41916  4.59514  0.109331  ?        ?         
1 1 1 16 16 26 o 0.407121 0.293971  -1.61312     1.08162  -1.61312     1.08162  -1.61312     1.08162  0.305037 0.224055  ?        ?         
1 1 1 16 16 27 f 6.31225  0.132122  39.945       1.66632  39.945       1.66632  39.945       1.66632  6.31623  0.093319  ?        ?         
1 1 1 16 16 28 o 7.61147  0.129558  58.0645      1.97097  58.0645      1.97097  58.0645      1.97097  7.61572  0.0915303 ?        ?         
1 1 1 16 16 29 o 7.88222  0.133532  62.2921      2.1037   62.2921      2.1037   62.2921      2.1037   7.88739  0.0943289 ?        ?         
1 1 1 16 16 30 o 2.00193  0.345043  4.3926       1.25834  4.3926       1.25834  4.3926       1.25834  2.05515  0.222428  ?        ?         
1 1 1 16 16 31 o 4.35249  0.169217  19.1051      1.46797  19.1051      1.46797  19.1051      1.46797  4.36179  0.11919   ?        ?         
1 1 1 16 16 32 o 2.34932  0.258181  5.77255      1.17967  5.77255      1.17967  5.77255      1.17967  2.37698  0.177749  ?        ?         
1 1 1 16 16 33 o 3.85209  0.193016  15.0479      1.47851  15.0479      1.47851  15.0479      1.47851  3.86568  0.135603  ?        ?         
1 1 1 16 16 34 o 1.39271  0.501022  2.64981      1.27403  2.64981      1.27403  2.64981      1.27403  1.51241  0.342091  ?        ?         
1 1 1 16 16 35 o 0.526363 0.364756  -0.742999    1.23507  -0.742999    1.23507  -0.742999    1.23507  0.418102 0.293158  ?        ?         
1 1 1 16 16 36 o 0.997736 0.525012  1.59042      1.37463  1.59042      1.37463  1.59042      1.37463  1.02781  0.453516  ?        ?         
1 1 1 16 16 37 o 0.706661 0.44714   0.392051     1.32233  0.392051     1.32233  0.392051     1.32233  0.626647 0.387517  ?        ?         
1 1 1 16 16 38 o 0.665624 0.435058  0.100633     1.37583  0.100633     1.37583  0.100633     1.37583  0.572023 0.370685  ?        ?         
1 1 1 16 16 39 o 0.73944  0.465653  0.529837     1.41643  0.529837     1.41643  0.529837     1.41643  0.666706 0.406658  ?        ?         
1 1 1 16 16 40 o 1.27186  0.560152  2.65381      1.48284  2.65381      1.48284  2.65381      1.48284  1.42102  0.424379  ?        ?         
1 1 1 16 16 41 o 1.27812  0.537302  2.6436       1.37404  2.6436       1.37404  2.6436       1.37404  1.43836  0.391385  ?        ?         
1 1 1 16 16 42 o 0.733644 0.466786  0.706452     1.45882  0.706452     1.45882  0.706452     1.45882  0.684658 0.415273  ?        ?         
1 1 1 16 16 43 o 1.01831  0.556645  2.20515      1.59267  2.20515      1.59267  2.20515      1.59267  1.13522  0.487503  ?        ?         
1 1 1 16 16 44 o 0.514058 0.36687   -1.03456     1.52699  -1.03456     1.52699  -1.03456     1.52699  0.421157 0.302327  ?        ?         
1 1 1 16 16 45 o 0.493285 0.357133  -1.2984      1.66075  -1.2984      1.66075  -1.2984      1.66075  0.408915 0.296107  ?        ?         
1 1 1 16 16 46 o 0.528365 0.380955  -0.491413    1.78197  -0.491413    1.78197  -0.491413    1.78197  0.465616 0.332512  ?        ?         
1 1 1 17 0  0  o 37.5489  0.519442  1415.06      38.9921  1415.06      38.9921  1415.06      38.9921  37.5828  0.36689   ?        ?         
1 1 1 17 0  1  o 0.748113 0.201214  0.667779     0.259644 0.667779     0.259644 0.667779     0.259644 0.788408 0.126158  ?        ?         
1 1 1 17 0  2  o 9.58565  0.0937842 91.9205      1.79758  91.9205      1.79758  91.9205      1.79758  9.58658  0.0663018 ?        ?         
1 1 1 17 0  3  o 26.8126  0.251318  719.635      13.4743  719.635      13.4743  719.635      13.4743  26.8192  0.177647  ?        ?         
1 1 1 17 0  4  o 12.6859  0.121829  161.006      3.0904   161.006      3.0904   161.006      3.0904   12.6874  0.0861276 ?        ?         
1 1 1 17 0  5  f 17.8741  0.173259  319.69       6.19239  319.69       6.19239  319.69       6.19239  17.877   0.12248   ?        ?         
1 1 1 17 0  6  o 25.4042  0.255379  646.096      12.9724  646.096      12.9724  646.096      12.9724  25.4113  0.180509  ?        ?         
1 1 1 17 0  7  o 15.5148  0.162599  240.87       5.04414  240.87       5.04414  240.87       5.04414  15.5174  0.114941  ?        ?         
1 1 1 17 0  8  o 23.7129  0.233352  562.87       11.0645  562.87       11.0645  562.87       11.0645  23.7189  0.164945  ?        ?         
1 1 1 17 0  9  o 10.6712  0.120543  113.941      2.57194  113.941      2.57194  113.941      2.57194  10.6727  0.0852123 ?        ?         
1 1 1 17 0  10 o 1.61763  0.175658  2.70922      0.552996 2.70922      0.552996 2.70922      0.552996 1.63242  0.121309  ?        ?         
1 1 1 17 0  11 o 10.6045  0.116182  112.517      2.46344  112.517      2.46344  112.517      2.46344  10.606   0.0821308 ?        ?         
1 1 1 17 0  12 o 12.0994  0.121624  146.467      2.94249  146.467      2.94249  146.467      2.94249  12.1009  0.0859811 ?        ?         
1 1 1 17 0  13 o 4.26365  0.105412  18.2144      0.897637 18.2144      0.897637 18.2144      0.897637 4.26575  0.0744491 ?        ?         
1 1 1 17 0  14 o 15.9327  0.159013  253.996      5.06586  253.996      5.06586  253.996      5.06586  15.9349  0.11241   ?        ?         
1 1 1 17 0  15 o 20.406   0.204475  416.684      8.34314  416.684      8.34314  416.684      8.34314  20.4094  0.144545  ?        ?         
1 1 1 17 0  16 o 12.9883  0.135545  168.774      3.52014  168.774      3.52014  168.774      3.52014  12.9898  0.0958221 ?        ?         
1 1 1 17 0  17 o 25.4953  0.24217   650.465      12.3459  650.465      12.3459  650.465      12.3459  25.4997  0.171193  ?        ?         
1 1 1 17 0  18 o 5.94132  0.100999  35.3326      1.19935  35.3326      1.19935  35.3326      1.19935  5.94272  0.0713768 ?        ?         
1 1 1 17 0  19 o 10.6664  0.119341  113.829      2.54516  113.829      2.54516  113.829      2.54516  10.6677  0.0843644 ?        ?         
1 1 1 17 0  20 o 12.8057  0.136372  164.074      3.4918   164.074      3.4918   164.074      3.4918   12.8074  0.0964046 ?        ?         
1 1 1 17 0  21 o 8.58461  0.133583  73.7633      2.29226  73.7633      2.29226  73.7633      2.29226  8.58658  0.0944098 ?        ?         
1 1 1 17 0  22 o 1.10809  0.524138  1.81184      1.30586  1.81184      1.30586  1.81184      1.30586  1.16183  0.429961  ?        ?         
1 1 1 17 0  23 o 9.20305  0.140213  84.7798      2.57943  84.7798      2.57943  84.7798      2.57943  9.20532  0.0990952 ?        ?         
1 1 1 17 0  24 o 5.85902  0.161444  34.4229      1.88856  34.4229      1.88856  34.4229      1.88856  5.86307  0.11398   ?        ?         
1 1 1 17 0  25 o 1.03088  0.530336  1.57494      1.38105  1.57494      1.38105  1.57494      1.38105  1.0473   0.454439  ?        ?         
1 1 1 17 0  26 o 3.11992  0.256812  9.94896      1.57749  9.94896      1.57749  9.94896      1.57749  3.13747  0.179098  ?        ?         
1 1 1 17 0  27 o 1.98105  0.390385  4.37058      1.37451  4.37058      1.37451  4.37058      1.37451  2.04535  0.245611  ?        ?         
1 1 1 17 0  28 f 10.3064  0.150186  106.413      3.09429  106.413      3.09429  106.413      3.09429  10.3111  0.106124  ?        ?         
1 1 1 17 0  29 o 7.04973  0.137685  49.8127      1.93961  49.8127      1.93961  49.8127      1.93961  7.05377  0.0972599 ?        ?         
1 1 1 17 0  30 o 0.644658 0.419794  -0.00756216  1.26703  -0.00756216  1.26703  -0.00756216  1.26703  0.542812 0.353284  ?        ?         
1 1 1 17 0  31 o 4.45991  0.165087  20.0213      1.46796  20.0213      1.46796  20.0213      1.46796  4.46723  0.116359  ?        ?         
1 1 1 17 0  32 o 0.553437 0.377262  -0.554507    1.22476  -0.554507    1.22476  -0.554507    1.22476  0.442795 0.306376  ?        ?         
1 1 1 17 0  33 o 3.32536  0.226271  11.2835      1.48887  11.2835      1.48887  11.2835      1.48887  3.34252  0.158294  ?        ?         
1 1 1 17 0  34 o 1.10201  0.538754  1.86969      1.39169  1.86969      1.39169  1.86969      1.39169  1.1572   0.448915  ?        ?         
1 1 1 17 0  35 o 3.34101  0.231923  11.4285      1.53257  11.4285      1.53257  11.4285      1.53257  3.36105  0.162072  ?        ?         
1 1 1 17 0  36 o 1.2395   0.540562  2.29714      1.38094  2.29714      1.38094  2.29714      1.38094  1.3414   0.416662  ?        ?         
1 1 1 17 0  37 o 0.761595 0.474952  0.543942     1.42968  0.543942     1.42968  0.543942     1.42968  0.684303 0.413191  ?        ?         
1 1 1 17 0  38 o 0.817514 0.490698  0.860511     1.4081   0.860511     1.4081   0.860511     1.4081   0.764696 0.431516  ?        ?         
1 1 1 17 0  39 o 3.07233  0.267061  9.87695      1.61248  9.87695      1.61248  9.87695      1.61248  3.10839  0.184904  ?        ?         
1 1 1 17 0  40 o 2.30796  0.357889  5.92411      1.53329  5.92411      1.53329  5.92411      1.53329  2.37685  0.23323   ?        ?         
1 1 1 17 0  41 o 2.67194  0.298346  7.68618      1.54902  7.68618      1.54902  7.68618      1.54902  2.72415  0.203656  ?        ?         
1 1 1 17 0  42 o 1.21508  0.557509  2.48632      1.47116  2.48632      1.47116  2.48632      1.47116  1.35281  0.436738  ?        ?         
1 1 1 17 0  43 o 3.23901  0.262543  11.2272      1.67506  11.2272      1.67506  11.2272      1.67506  3.29619  0.180914  ?        ?         
1 1 1 17 0  44 o 0.557025 0.388867  -0.737277    1.50349  -0.737277    1.50349  -0.737277    1.50349  0.457307 0.321451  ?        ?         
1 1 1 17 0  45 o 0.475165 0.345921  -2.166       1.66996  -2.166       1.66996  -2.166       1.66996  0.373195 0.274556  ?        ?         
1 1 1 17 0  46 o 0.839726 0.539234  1.84129      1.98949  1.84129      1.98949  1.84129      1.98949  0.886783 0.508335  ?        ?         
1 1 1 17 0  47 o 0.792956 0.531659  1.87947      2.27848  1.87947      2.27848  1.87947      2.27848  0.830008 0.510942  ?        ?         
1 1 1 17 1  0  o 6.72187  0.0730985 45.2024      0.982456 45.2024      0.982456 45.2024      0.982456 6.72257  0.0516762 ?        ?         
1 1 1 17 1  1  o 13.827   0.0938194 191.224      2.59448  189.114      3.59467  193.52       3.74845  13.7491  0.130724  13.9082  0.134757  
1 1 1 17 1  2  o 15.2621  0.105411  232.992      3.2176   231.862      4.38677  234.309      4.73376  15.2233  0.144081  15.3028  0.15467   
1 1 1 17 1  3  o 13.3845  0.0902055 179.179      2.41471  179.332      3.41555  179.027      3.41428  13.3889  0.127552  13.3775  0.127613  
1 1 1 17 1  4  o 25.3824  0.168415  644.711      8.54955  642.82       12.0521  646.626      12.13    25.3364  0.237842  25.4111  0.238676  
1 1 1 17 1  5  o 4.65927  0.0454083 21.7099      0.423139 22.4436      0.600483 20.9862      0.596356 4.73723  0.0633791 4.58082  0.0650927 
1 1 1 17 1  6  o 15.1176  0.110463  228.612      3.33988  231.427      4.83414  226.042      4.61975  15.2078  0.158936  15.0301  0.153683  
1 1 1 17 1  7  o 4.7842   0.0509865 22.8901      0.487859 23.0622      0.694097 22.7221      0.685851 4.80199  0.0722718 4.76645  0.0719457 
1 1 1 17 1  8  o 23.7746  0.169366  565.666      8.05324  569.43       11.7365  562.317      11.0707  23.8433  0.246116  23.6959  0.233599  
1 1 1 17 1  9  o 15.056   0.114959  226.765      3.46165  226.206      4.8854   227.328      4.90568  15.0347  0.162471  15.0719  0.162743  
1 1 1 17 1  10 o 1.8657   0.105246  3.4819       0.392713 3.15311      0.544961 3.8371       0.566421 1.77512  0.1535    1.95828  0.144622  
1 1 1 17 1  11 o 7.10369  0.0630152 50.4677      0.895281 50.0814      1.25819  50.8638      1.2742   7.07608  0.0889046 7.13114  0.0893403 
1 1 1 17 1  12 o 5.73777  0.0621315 32.9252      0.712993 31.8259      0.981168 34.1552      1.03787  5.64091  0.086969  5.84366  0.0888029 
1 1 1 17 1  13 o 18.6618  0.130881  348.403      4.88496  348.967      6.84355  347.816      6.97506  18.6731  0.183246  18.642   0.187079  
1 1 1 17 1  14 o 11.5331  0.0881677 133.035      2.0337   134.071      2.89802  132.03       2.85465  11.577   0.125163  11.4886  0.124239  
1 1 1 17 1  15 o 3.70423  0.0784582 13.7227      0.581254 14.832       0.869824 12.8278      0.781315 3.8508   0.112941  3.58122  0.109085  
1 1 1 17 1  16 o 11.0396  0.0861807 121.887      1.90281  121.693      2.65697  122.091      2.72632  11.0302  0.12044   11.0482  0.123383  
1 1 1 17 1  17 o 25.3949  0.170546  645.181      8.66201  640.906      12.1723  649.567      12.3291  25.3051  0.240511  25.4753  0.241981  
1 1 1 17 1  18 o 11.8795  0.0892296 141.139      2.12     140.952      2.99622  141.327      3.00006  11.8708  0.126201  11.8866  0.126195  
1 1 1 17 1  19 o 13.7233  0.101455  188.363      2.78459  188.65       3.89951  188.064      3.97765  13.7325  0.141982  13.711   0.145053  
1 1 1 17 1  20 o 9.21537  0.0817824 84.9348      1.50731  84.3855      2.12042  85.496       2.14307  9.18489  0.11543   9.24511  0.115903  
1 1 1 17 1  21 o 9.88279  0.0934195 97.6883      1.84649  101.403      2.67299  94.2974      2.55375  10.0679  0.132748  9.70882  0.131517  
1 1 1 17 1  22 o 8.32579  0.0939177 69.3345      1.56388  70.4909      2.24392  68.2424      2.18074  8.39394  0.133663  8.25903  0.132022  
1 1 1 17 1  23 o 8.99046  0.0982783 80.8519      1.76713  80.9225      2.45813  80.7764      2.5422   8.99315  0.136667  8.98485  0.141471  
1 1 1 17 1  24 o 14.8021  0.12374   219.232      3.66323  217.753      5.05344  220.871      5.31784  14.748   0.171326  14.8525  0.179022  
1 1 1 17 1  25 o 2.84549  0.174954  8.10914      0.995659 8.3307       1.43984  7.90611      1.37832  2.88183  0.249814  2.80758  0.245464  
1 1 1 17 1  26 o 12.0928  0.111687  146.346      2.7012   147.983      3.94286  144.899      3.70808  12.155   0.162191  12.0286  0.154136  
1 1 1 17 1  27 o 8.39619  0.094697  70.5445      1.59019  69.8457      2.19696  71.3135      2.30463  8.35176  0.131527  8.43863  0.136552  
1 1 1 17 1  28 o 5.42644  0.116042  29.4875      1.25939  28.0935      1.77224  30.9095      1.78999  5.29267  0.167424  5.55219  0.161197  
1 1 1 17 1  29 o 6.12362  0.100296  37.5456      1.22835  36.1491      1.72032  38.9981      1.75447  6.00474  0.143247  6.23716  0.140646  
1 1 1 17 1  30 f 2.10315  0.21461   4.4538       0.902714 4.57748      1.27563  4.32973      1.27763  2.12504  0.300143  2.06587  0.309224  
1 1 1 17 1  31 f 2.30679  0.197649  5.35967      0.911871 5.1583       1.28661  5.5629       1.29257  2.25427  0.285372  2.34214  0.275938  
1 1 1 17 1  32 o 0.625085 0.289387  -0.704786    0.858525 -1.19277     1.21376  -0.216182    1.21452  0.715942 0.335617  0.854449 0.37392   
1 1 1 17 1  33 o 4.85036  0.121314  23.6187      1.17684  23.253       1.63846  24.0084      1.6914   4.80362  0.170544  4.88041  0.173284  
1 1 1 17 1  34 o 1.08998  0.370493  1.16486      0.965778 2.57222      1.36745  -0.235794    1.36419  1.53549  0.428941  0.897579 0.394516  
1 1 1 17 1  35 o 0.791227 0.341419  -0.0365129   0.98515  -1.01162     1.35625  1.05266      1.43338  0.785389 0.363647  1.15087  0.44195   
1 1 1 17 1  36 o 2.24217  0.226565  5.13071      1.01599  5.89159      1.4612   4.41855      1.41364  2.38244  0.306661  2.02229  0.362663  
1 1 1 17 1  37 o 2.33524  0.228625  5.59791      1.06779  6.8813       1.49541  4.26288      1.52519  2.56861  0.291093  1.95561  0.403723  
1 1 1 17 1  38 o 0.933992 0.366953  0.64355      1.00063  0.186378     1.4184   1.0965       1.41183  0.960025 0.411857  1.13078  0.437656  
1 1 1 17 1  39 o 0.930454 0.373288  0.592757     1.0578   0.779477     1.50039  0.408228     1.49156  1.07438  0.439314  1.00668  0.426759  
1 1 1 17 1  40 o 0.959613 0.375011  0.752367     1.04178  3.91993      1.49323  -2.2516      1.45415  1.83114  0.41694   0.680118 0.331377  
1 1 1 17 1  41 o 0.790101 0.345697  0.0107812    1.0377   0.165844     1.47633  -0.140639    1.45889  0.941735 0.412187  0.892276 0.398655  
1 1 1 17 1  42 o 1.56134  0.344907  2.87457      1.04824  2.93606      1.48952  2.81424      1.47546  1.49873  0.456155  1.46838  0.455442  
1 1 1 17 1  43 o 1.29302  0.390367  2.14121      1.09381  3.40646      1.5691   0.945182     1.52557  1.56148  0.466773  1.02402  0.432728  
1 1 1 17 1  44 o 0.579329 0.282079  -1.36907     1.04718  -1.03696     1.43588  -1.7464      1.53052  0.727587 0.348348  0.69263  0.337919  
1 1 1 17 1  45 o 0.599085 0.294692  -1.55892     1.22017  -2.82824     1.76011  -0.384511    1.69302  0.652155 0.32574   0.801727 0.3825    
1 1 1 17 1  46 o 0.833734 0.377937  0.811139     1.35716  0.599952     1.85813  1.05263      1.98696  0.847355 0.403018  0.892457 0.42106   
1 1 1 17 1  47 o 0.876436 0.399941  1.41249      1.5711   -0.433646    2.00745  4.33083      2.52395  0.747483 0.368859  1.07595  0.497376  
1 1 1 17 2  0  o 1.13458  0.122428  1.3319       0.270418 1.3319       0.270418 1.3319       0.270418 1.14475  0.0845793 ?        ?         
1 1 1 17 2  1  o 21.6689  0.143798  469.772      6.23188  468.739      8.79455  470.813      8.83199  21.6397  0.203204  21.6875  0.20362   
1 1 1 17 2  2  o 10.0692  0.0693135 101.4        1.39586  99.8118      1.94342  103.092      2.00616  9.98945  0.0972738 10.1522  0.0988039 
1 1 1 17 2  3  o 15.0505  0.105395  226.577      3.17247  224.584      4.26308  229.051      4.7493   14.9824  0.142269  15.1299  0.156951  
1 1 1 17 2  4  o 10.8487  0.0779753 117.712      1.69186  116.084      2.2618   119.781      2.54921  10.7727  0.104978  10.9426  0.116481  
1 1 1 17 2  5  o 11.0056  0.0811637 121.144      1.78652  120.623      2.51555  121.675      2.53763  10.981   0.114541  11.0288  0.115046  
1 1 1 17 2  6  o 13.2089  0.0986322 174.518      2.60564  177.369      3.74203  171.834      3.63036  13.3146  0.140524  13.1053  0.138507  
1 1 1 17 2  7  o 10.8093  0.0782004 116.86       1.69058  118.13       2.39089  115.589      2.3908   10.867   0.110007  10.7495  0.111205  
1 1 1 17 2  8  f 10.8653  0.0817139 118.076      1.77569  116.749      2.48829  119.452      2.53477  10.8031  0.115165  10.9274  0.115982  
1 1 1 17 2  9  o 6.85656  0.0681775 47.0185      0.934926 44.7812      1.18737  50.6685      1.51663  6.69115  0.0887267 7.11706  0.106549  
1 1 1 17 2  10 o 7.2941   0.0658676 53.2102      0.960889 52.7954      1.36613  53.6163      1.35179  7.26517  0.0940192 7.32146  0.0923169 
1 1 1 17 2  11 o 10.6046  0.0793065 112.476      1.68203  113.094      2.41446  111.894      2.34458  10.6328  0.113538  10.5763  0.110841  
1 1 1 17 2  12 o 8.61132  0.069491  74.1636      1.19682  74.6093      1.6958   73.7213      1.68933  8.63664  0.098175  8.58508  0.0983874 
1 1 1 17 2  13 o 5.60689  0.0667195 31.4404      0.748178 33.4296      1.10225  29.741       1.01883  5.78121  0.0953308 5.45297  0.0934197 
1 1 1 17 2  14 o 2.65114  0.0996187 7.02991      0.528205 6.76136      0.748007 7.297        0.745987 2.59972  0.143863  2.70078  0.138106  
1 1 1 17 2  15 o 2.22484  0.115259  4.95099      0.512864 4.14612      0.725175 5.75641      0.725423 2.03566  0.178118  2.39879  0.151206  
1 1 1 17 2  16 o 10.4447  0.0839382 109.103      1.75342  108.376      2.41005  109.922      2.55579  10.4093  0.115764  10.4832  0.121899  
1 1 1 17 2  17 o 6.22624  0.0690292 38.7688      0.859585 38.4758      1.21144  39.0659      1.21987  6.20244  0.0976587 6.24982  0.0975928 
1 1 1 17 2  18 o 20.8814  0.143572  436.171      5.99596  436.68       8.39738  435.641      8.56423  20.8902  0.200989  20.865   0.205229  
1 1 1 17 2  19 o 7.00993  0.0741583 49.1442      1.03969  47.6306      1.445    50.7688      1.49707  6.90079  0.104698  7.12449  0.105065  
1 1 1 17 2  20 o 21.7826  0.148893  474.7        6.48656  470.2        9.09366  479.362      9.25523  21.6741  0.209782  21.8841  0.21146   
1 1 1 17 2  21 o 12.362   0.107409  152.86       2.65558  152.545      3.74395  153.179      3.76727  12.3477  0.151605  12.3733  0.152234  
1 1 1 17 2  22 f 22.8637  0.170056  523.147      7.77622  527.554      10.9564  518.673      11.0386  22.9512  0.238688  22.7567  0.242534  
1 1 1 17 2  23 o 8.89052  0.0995804 79.0655      1.77064  78.0222      2.40661  80.2967      2.61441  8.83048  0.136267  8.95789  0.145928  
1 1 1 17 2  24 o 11.9976  0.108438  144.009      2.60199  148.941      3.72817  139.325      3.63321  12.1984  0.152814  11.798   0.153976  
1 1 1 17 2  25 o 2.51809  0.198391  6.35352      0.999133 7.27526      1.41235  5.43012      1.41362  2.69256  0.26227   2.32479  0.304032  
1 1 1 17 2  26 o 1.14726  0.381427  1.25774      1.02363  1.31642      1.49967  1.20656      1.40065  1.26032  0.458667  1.21309  0.443091  
1 1 1 17 2  27 o 1.81998  0.265058  3.33073      0.964802 1.59348      1.35678  5.10777      1.37223  1.29783  0.439133  2.2517   0.30471   
1 1 1 17 2  28 o 8.23472  0.101593  67.8847      1.67318  69.5761      2.42227  66.3413      2.31392  8.33197  0.14536   8.13637  0.142196  
1 1 1 17 2  29 o 3.51523  0.142325  12.3888      1.00061  12.223       1.43602  12.5452      1.39502  3.4867   0.205928  3.53314  0.19742   
1 1 1 17 2  30 o 4.17342  0.11927   17.4553      0.995529 17.4088      1.41723  17.5006      1.39874  4.16307  0.170214  4.17431  0.167541  
1 1 1 17 2  31 o 1.99203  0.222328  4.0051       0.88577  3.08842      1.25288  4.92116      1.25246  1.70242  0.377923  2.20166  0.284435  
1 1 1 17 2  32 o 2.07221  0.215146  4.33748      0.891654 4.78634      1.25737  3.88343      1.26464  2.16806  0.289977  1.94848  0.324519  
1 1 1 17 2  33 o 4.4219   0.128569  19.6418      1.13704  19.7003      1.58551  19.5798      1.6315   4.41923  0.179388  4.40445  0.185211  
1 1 1 17 2  34 o 1.31251  0.35477   1.85255      0.953502 1.78297      1.32943  1.92627      1.36833  1.31513  0.434684  1.35725  0.440998  
1 1 1 17 2  35 o 1.14129  0.380322  1.31828      1.0177   -0.895667    1.35881  4.14692      1.5359   0.800481 0.368031  1.94645  0.40766   
1 1 1 17 2  36 o 0.716447 0.322453  -0.407308    0.970547 0.876146     1.3656   -1.71728     1.37963  1.09345  0.428938  0.71609  0.34251   
1 1 1 17 2  37 o 3.08284  0.175305  9.65284      1.08087  9.32173      1.4755   10.0363      1.58785  3.00727  0.245322  3.11677  0.254727  
1 1 1 17 2  38 o 1.0887   0.377359  1.21041      1.00432  0.256064     1.43096  2.13691      1.40993  0.974561 0.415736  1.3798   0.447612  
1 1 1 17 2  39 o 1.74457  0.323465  3.35494      1.08627  3.24561      1.56788  3.45585      1.50639  1.65057  0.45872   1.71311  0.437946  
1 1 1 17 2  40 o 1.62764  0.333896  2.96591      1.04955  2.6107       1.49286  3.31307      1.47585  1.47714  0.458112  1.66714  0.437225  
1 1 1 17 2  41 o 0.836772 0.358422  0.213551     1.0713   -0.739017    1.54846  1.08812      1.4837   0.840512 0.388937  1.09962  0.441704  
1 1 1 17 2  42 o 1.22737  0.378182  1.82555      1.01959  0.599896     1.44716  3.03363      1.43675  0.980314 0.418133  1.53151  0.443569  
1 1 1 17 2  43 o 1.54885  0.359973  2.96431      1.09486  2.88138      1.58035  3.04085      1.51825  1.42198  0.473934  1.47176  0.463109  
1 1 1 17 2  44 o 0.553012 0.272369  -1.76519     1.06973  -1.08613     1.46501  -2.54076     1.56566  0.72954  0.349903  0.647874 0.321157  
1 1 1 17 2  45 o 0.841402 0.368746  0.630946     1.18468  0.337203     1.67572  0.92446      1.67507  0.866226 0.402278  0.933431 0.42167   
1 1 1 17 2  46 o 0.725149 0.344539  -0.0675833   1.3549   -0.0645871   1.7983   -0.0715173   2.06061  0.782104 0.378015  0.805481 0.392818  
1 1 1 17 2  47 o 0.720779 0.346407  0.0261301    1.45427  1.79736      1.95593  -2.16351     2.17472  0.896778 0.421532  0.679294 0.342597  
1 1 1 17 3  0  o 24.9458  0.23399   622.866      11.6718  622.866      11.6718  622.866      11.6718  24.9515  0.165402  ?        ?         
1 1 1 17 3  1  o 20.6509  0.138658  426.656      5.72682  420.187      7.90074  433.817      8.31285  20.4892  0.192803  20.8182  0.199654  
1 1 1 17 3  2  o 4.36937  0.0422702 19.0923      0.369388 18.527       0.502071 19.7593      0.545403 4.30412  0.0583244 4.44494  0.061351  
1 1 1 17 3  3  o 10.9435  0.075929  119.778      1.66186  118.581      2.30306  121.078      2.40043  10.888   0.105761  11.0019  0.109091  
1 1 1 17 3  4  o 22.2174  0.15428   493.907      6.8554   492.377      9.66312  495.458      9.7272   22.1763  0.21787   22.2455  0.218633  
1 1 1 17 3  5  o 16.0659  0.118138  258.205      3.796    258.065      5.2392   258.359      5.50755  16.0589  0.163124  16.0675  0.171388  
1 1 1 17 3  6  o 3.65013  0.0504031 13.3244      0.367956 13.6429      0.527162 13.0218      0.513832 3.69338  0.0713658 3.60833  0.0712008 
1 1 1 17 3  7  o 13.4129  0.0958278 179.95       2.57066  181.524      3.6682   178.43       3.60357  13.4697  0.136165  13.3545  0.13492   
1 1 1 17 3  8  o 4.27403  0.0546988 18.2688      0.467569 18.8653      0.672546 17.7109      0.65049  4.34306  0.0774277 4.20809  0.0772904 
1 1 1 17 3  9  o 4.53608  0.0599663 20.5781      0.544023 19.7618      0.756766 21.451       0.782615 4.44498  0.085126  4.63106  0.0844963 
1 1 1 17 3  10 o 5.13747  0.0597292 26.3961      0.613714 25.8785      0.853582 26.95        0.88301  5.08661  0.0839048 5.19084  0.0850547 
1 1 1 17 3  11 o 8.71532  0.0710524 75.9665      1.23849  75.5419      1.75757  76.3853      1.74547  8.69034  0.101122  8.73875  0.0998696 
1 1 1 17 3  12 o 7.92055  0.0669068 62.7418      1.05988  61.6521      1.49245  63.8506      1.50542  7.85102  0.0950481 7.98979  0.0942091 
1 1 1 17 3  13 o 10.4     0.0810632 108.177      1.68612  107.968      2.37653  108.388      2.39261  10.3892  0.114375  10.4093  0.114926  
1 1 1 17 3  14 o 4.3988   0.073862  19.3514      0.649808 18.6915      0.909597 20.0392      0.928632 4.32291  0.105207  4.47605  0.103733  
1 1 1 17 3  15 o 1.45098  0.172083  2.10635      0.499378 2.09818      0.716857 2.11404      0.696056 1.42512  0.261249  1.4533   0.239474  
1 1 1 17 3  16 o 7.29946  0.07161   53.2861      1.04543  53.1533      1.44991  53.4298      1.50876  7.29009  0.0994439 7.30899  0.103213  
1 1 1 17 3  17 o 18.4778  0.126837  341.51       4.68733  339.422      6.59253  343.645      6.66584  18.4189  0.178961  18.5331  0.179836  
1 1 1 17 3  18 o 4.36963  0.0801895 19.0957      0.700798 18.8357      0.989185 19.3576      0.992981 4.33955  0.113973  4.39927  0.112857  
1 1 1 17 3  19 o 6.99603  0.0756088 48.9498      1.05792  50.103       1.50009  47.8088      1.49219  7.07758  0.105975  6.91361  0.107917  
1 1 1 17 3  20 o 7.78372  0.079564  60.5945      1.23861  59.3308      1.72827  61.9289      1.77602  7.70162  0.112202  7.86843  0.112857  
1 1 1 17 3  21 o 3.06471  0.145414  9.39701      0.891305 9.44605      1.24482  9.34543      1.27678  3.07198  0.202608  3.05548  0.208933  
1 1 1 17 3  22 o 10.9305  0.105794  119.513      2.31278  124.985      3.23308  113.778      3.30981  11.1765  0.144637  10.6632  0.155198  
1 1 1 17 3  23 o 10.495   0.105982  110.185      2.22456  111.781      3.08754  108.462      3.20794  10.5691  0.146064  10.4106  0.154071  
1 1 1 17 3  24 o 8.43231  0.0969523 71.1317      1.63506  70.7078      2.26744  71.591       2.35998  8.40555  0.134878  8.45766  0.139518  
1 1 1 17 3  25 o 16.5758  0.126066  274.987      4.17929  271.777      5.9244   278.166      5.89652  16.4717  0.179835  16.6647  0.176917  
1 1 1 17 3  26 o 2.70721  0.184558  7.34504      0.999277 7.55305      1.42912  7.14604      1.39779  2.74223  0.260575  2.66726  0.262027  
1 1 1 17 3  27 o 3.50394  0.146487  12.2993      1.02657  11.3298      1.47971  13.1989      1.42538  3.35923  0.220246  3.62723  0.196483  
1 1 1 17 3  28 o 6.20831  0.106738  38.5903      1.32533  40.3032      1.91233  37.0073      1.83844  6.34075  0.150797  6.0759   0.15129   
1 1 1 17 3  29 o 5.04963  0.109886  25.5392      1.10977  25.2325      1.60139  25.8226      1.53935  5.01481  0.159666  5.07393  0.151692  
1 1 1 17 3  30 o 6.02271  0.0992368 36.3289      1.19535  36.2167      1.70192  36.4381      1.67926  6.00851  0.141626  6.02715  0.139308  
1 1 1 17 3  31 o 6.13873  0.0995828 37.7558      1.22262  37.0092      1.72966  38.5013      1.72844  6.0717   0.142436  6.19337  0.139539  
1 1 1 17 3  32 f 1.60035  0.285486  2.68337      0.880884 2.31772      1.24538  3.04947      1.24614  1.47232  0.408715  1.68778  0.378543  
1 1 1 17 3  33 o 3.06038  0.174929  9.44565      1.0707   7.44437      1.45732  11.793       1.57829  2.70146  0.269728  3.40898  0.23149   
1 1 1 17 3  34 o 1.15114  0.36307   1.37604      0.932441 1.30582      1.31425  1.44721      1.32314  1.18999  0.42974   1.22604  0.432334  
1 1 1 17 3  35 o 3.6164   0.15292   13.1876      1.10604  13.1091      1.54053  13.2711      1.58895  3.59094  0.214502  3.61154  0.219982  
1 1 1 17 3  36 o 2.37771  0.211959  5.75668      1.00795  6.29997      1.38622  5.1472       1.46824  2.47031  0.280575  2.21937  0.330778  
1 1 1 17 3  37 o 2.19636  0.235791  4.96372      1.03576  3.81313      1.41834  6.27844      1.51613  1.8484   0.395196  2.44507  0.310038  
1 1 1 17 3  38 o 1.08844  0.385321  1.18689      1.05195  1.07157      1.49491  1.3          1.48054  1.13985  0.4483    1.1852   0.45089   
1 1 1 17 3  39 o 3.22347  0.180964  10.6414      1.16666  11.0104      1.71307  10.3221      1.59325  3.23607  0.264684  3.1395   0.253743  
1 1 1 17 3  40 o 1.0001   0.386114  0.880078     1.09745  1.50513      1.58381  0.302806     1.52208  1.2178   0.465457  0.987001 0.42512   
1 1 1 17 3  41 o 0.685558 0.318843  -0.69069     1.05764  0.102726     1.53038  -1.4161      1.46332  0.941297 0.415489  0.743395 0.354893  
1 1 1 17 3  42 o 0.778558 0.340903  0.0698327    1.01069  0.453634     1.43682  -0.306067    1.42195  0.953239 0.411838  0.840351 0.382668  
1 1 1 17 3  43 o 0.917598 0.373074  0.772641     1.07586  1.05524      1.56288  0.51811      1.48323  1.04027  0.438711  0.943568 0.413068  
1 1 1 17 3  44 o 1.12779  0.390333  1.70118      1.07424  1.65988      1.464    1.74936      1.58117  1.10795  0.441134  1.12591  0.454439  
1 1 1 17 3  45 o 0.78935  0.356964  0.299573     1.20361  -0.395841    1.6524   1.08555      1.75671  0.788664 0.376652  0.954331 0.43143   
1 1 1 17 3  46 o 0.586513 0.291539  -1.71265     1.32849  -1.28244     1.77828  -2.25599     1.99847  0.696024 0.344354  0.678218 0.339789  
1 1 1 17 3  47 o 0.583592 0.291796  -1.92316     1.45584  -0.953481    1.94549  -3.15717     2.1947   0.703468 0.350105  0.641403 0.326486  
1 1 1 17 4  0  o 13.1209  0.12782   172.243      3.35352  172.243      3.35352  172.243      3.35352  13.1225  0.0903618 ?        ?         
1 1 1 17 4  1  o 8.83808  0.0625683 78.1191      1.10597  76.8346      1.52647  79.5385      1.6046   8.76471  0.0870807 8.91754  0.0899686 
1 1 1 17 4  2  o 17.2436  0.116262  297.44       4.00953  295.247      5.57145  299.796      5.77467  17.1771  0.162177  17.3086  0.166815  
1 1 1 17 4  3  o 24.8849  0.168527  619.699      8.38754  618.629      11.8401  620.777      11.8835  24.8545  0.23819   24.8975  0.238649  
1 1 1 17 4  4  o 26.9522  0.191118  727.096      10.3021  729.709      14.61    724.512      14.5291  26.9878  0.270678  26.8917  0.27014   
1 1 1 17 4  5  o 16.1439  0.118871  260.72       3.83806  263.967      5.49491  257.627      5.36318  16.241   0.169168  16.0449  0.16713   
1 1 1 17 4  6  o 13.2992  0.0947804 176.909      2.521    179.947      3.54448  173.799      3.58635  13.4113  0.132145  13.1801  0.136052  
1 1 1 17 4  7  o 10.6322  0.0808752 113.063      1.71976  113.313      2.35464  112.778      2.51776  10.6431  0.110618  10.6177  0.118564  
1 1 1 17 4  8  o 12.1455  0.0959299 147.552      2.33024  149.295      3.37515  145.964      3.22115  12.2154  0.138152  12.0786  0.133341  
1 1 1 17 4  9  o 18.7995  0.138515  353.608      5.20801  354.684      7.38351  352.542      7.34709  18.823   0.19613   18.7661  0.195754  
1 1 1 17 4  10 o 11.7859  0.0888993 138.937      2.09552  136.808      2.91953  141.2        3.00955  11.6941  0.124829  11.8802  0.126662  
1 1 1 17 4  11 o 9.18243  0.0775821 84.3297      1.42479  83.7878      1.93339  84.9739      2.10778  9.15228  0.105624  9.21661  0.114347  
1 1 1 17 4  12 o 1.96646  0.108533  3.86803      0.42685  2.65469      0.585421 5.24528      0.623709 1.62869  0.179722  2.28974  0.136196  
1 1 1 17 4  13 o 7.58106  0.0684246 57.4783      1.03746  58.4215      1.51442  56.6443      1.42413  7.64256  0.099078  7.52549  0.0946202 
1 1 1 17 4  14 o 3.37328  0.0833986 11.3805      0.562654 11.071       0.832564 11.6406      0.763359 3.32684  0.125129  3.41144  0.111882  
1 1 1 17 4  15 o 16.6888  0.119046  278.575      3.97347  276.514      5.51835  280.795      5.72608  16.6251  0.165964  16.7531  0.170896  
1 1 1 17 4  16 o 23.6625  0.166912  560.142      7.89909  553.813      10.8066  567.404      11.5749  23.5239  0.229695  23.8097  0.243071  
1 1 1 17 4  17 o 15.4522  0.110034  238.813      3.40052  235.046      4.7889   242.645      4.82948  15.3283  0.156211  15.5742  0.155047  
1 1 1 17 4  18 o 7.23221  0.0740253 52.3096      1.07073  51.1367      1.50588  53.5089      1.52275  7.15032  0.105301  7.31431  0.104094  
1 1 1 17 4  19 o 14.3185  0.103905  205.064      2.97553  205.902      4.21846  204.235      4.1977   14.3462  0.147024  14.288   0.146896  
1 1 1 17 4  20 f 5.1867   0.0856963 26.906       0.888961 26.5525      1.24365  27.2755      1.27117  5.1521   0.120693  5.22176  0.121718  
1 1 1 17 4  21 o 5.64919  0.103491  31.9214      1.16928  30.9097      1.55922  33.2216      1.76752  5.55834  0.140259  5.7622   0.153372  
1 1 1 17 4  22 o 10.7046  0.0979168 114.619      2.09632  117.336      3.05763  112.208      2.87965  10.8292  0.141176  10.5901  0.135959  
1 1 1 17 4  23 o 9.75634  0.104717  95.2204      2.0433   94.7638      2.87448  95.6868      2.90509  9.73118  0.147694  9.77842  0.148546  
1 1 1 17 4  24 f 2.57716  0.19248   6.65257      0.992104 6.72702      1.36028  6.56796      1.45012  2.58968  0.262635  2.55824  0.283421  
1 1 1 17 4  25 o 4.79954  0.115207  23.0522      1.10588  23.2505      1.56903  22.8564      1.55891  4.81843  0.162816  4.77741  0.163154  
1 1 1 17 4  26 o 2.03997  0.234942  4.17671      0.958553 3.99862      1.35029  4.35762      1.36097  1.96102  0.357531  2.08004  0.327151  
1 1 1 17 4  27 o 8.42164  0.0971309 70.9814      1.636    71.8195      2.3752   70.2248      2.25666  8.46746  0.140254  8.37347  0.134751  
1 1 1 17 4  28 o 9.05455  0.0974573 82.0704      1.76486  79.4869      2.49732  84.6479      2.49447  8.90595  0.140205  9.19116  0.1357    
1 1 1 17 4  29 o 7.50687  0.0978742 56.4263      1.46946  56.6422      2.10625  56.2214      2.0511   7.51612  0.140116  7.48859  0.136948  
1 1 1 17 4  30 o 3.68104  0.132305  13.5882      0.974037 14.6153      1.39946  12.6231      1.35654  3.81258  0.183532  3.54238  0.191473  
1 1 1 17 4  31 o 2.01204  0.222651  4.08779      0.895966 3.84561      1.27669  4.32282      1.2577   1.91052  0.346912  2.06039  0.305209  
1 1 1 17 4  32 o 2.27121  0.20165   5.20634      0.915983 5.66939      1.29432  4.74174      1.29647  2.36093  0.274112  2.15547  0.30074   
1 1 1 17 4  33 o 4.9411   0.124025  24.5207      1.22564  25.0237      1.69468  23.9691      1.77473  4.9822   0.170074  4.87321  0.18209   
1 1 1 17 4  34 o 2.22792  0.220091  5.04319      0.980692 4.27041      1.3854   5.81934      1.38842  1.99614  0.360192  2.37862  0.291854  
1 1 1 17 4  35 o 2.117    0.246549  4.58072      1.04389  5.74831      1.49321  3.46461      1.45992  2.35454  0.317092  1.77249  0.418106  
1 1 1 17 4  36 o 2.6853   0.192716  7.32435      1.035    7.29285      1.39345  7.36311      1.5458   2.66186  0.261745  2.66607  0.289902  
1 1 1 17 4  37 o 2.49922  0.212639  6.3967       1.06286  6.76874      1.44461  5.95764      1.56935  2.54747  0.283538  2.37239  0.330753  
1 1 1 17 4  38 o 2.08659  0.258999  4.53335      1.08085  5.08264      1.53708  3.9961       1.52016  2.17175  0.353882  1.87014  0.417158  
1 1 1 17 4  39 o 2.65878  0.220735  7.32586      1.17377  7.08954      1.70692  7.53785      1.61668  2.559    0.333514  2.65565  0.304384  
1 1 1 17 4  40 o 1.39229  0.384712  2.25359      1.10617  1.95888      1.5308   2.57563      1.60024  1.30983  0.464707  1.45881  0.476908  
1 1 1 17 4  41 o 1.26759  0.39043   1.91323      1.08684  1.56281      1.56059  2.24326      1.5145   1.19691  0.46078   1.34792  0.463762  
1 1 1 17 4  42 o 0.825125 0.35116   0.309618     1.0167   0.441357     1.44744  0.181318     1.42842  0.951984 0.412352  0.908201 0.401076  
1 1 1 17 4  43 o 1.07872  0.389847  1.43215      1.08175  1.55013      1.58068  1.32822      1.48359  1.12425  0.454121  1.07627  0.437927  
1 1 1 17 4  44 o 1.22322  0.391746  2.04187      1.08248  2.05294      1.47475  2.02893      1.59389  1.18413  0.450145  1.17354  0.462473  
1 1 1 17 4  45 o 0.818483 0.362618  0.519483     1.18035  1.23332      1.62299  -0.282004    1.71974  0.965675 0.426852  0.807676 0.385378  
1 1 1 17 4  46 o 0.823812 0.370351  0.869525     1.27664  1.53976      1.75404  0.114533     1.86164  0.91807  0.420434  0.792158 0.383174  
1 1 1 17 4  47 o 0.731998 0.350872  0.287609     1.46759  0.925823     1.98865  -0.475677    2.17479  0.805566 0.391209  0.735687 0.366699  
1 1 1 17 5  0  o 13.6188  0.130028  185.562      3.54092  185.562      3.54092  185.562      3.54092  13.6205  0.0919228 ?        ?         
1 1 1 17 5  1  o 11.4604  0.0817075 131.363      1.87281  130.636      2.58013  132.173      2.72271  11.4278  0.112889  11.4946  0.118434  
1 1 1 17 5  2  o 10.3702  0.0754285 107.556      1.56441  108.897      2.26356  106.33       2.16458  10.4338  0.108473  10.3102  0.104973  
1 1 1 17 5  3  o 9.90911  0.0743617 98.2044      1.47372  99.444       2.08017  96.9553      2.08815  9.97077  0.104314  9.84517  0.10605   
1 1 1 17 5  4  o 15.5837  0.111934  242.929      3.48868  244.298      4.95933  241.589      4.90854  15.6249  0.1587    15.5381  0.157952  
1 1 1 17 5  5  o 9.47273  0.0709416 89.7445      1.34402  89.8216      1.92711  89.6715      1.87541  9.47613  0.101683  9.46828  0.0990362 
1 1 1 17 5  6  o 8.37293  0.0656431 70.1141      1.09925  70.4262      1.56481  69.8101      1.54454  8.39105  0.0932426 8.35428  0.0924402 
1 1 1 17 5  7  o 2.58374  0.0633059 6.67643      0.327132 6.39086      0.465006 6.95625      0.460297 2.52772  0.0919813 2.63719  0.0872703 
1 1 1 17 5  8  o 12.7706  0.0978298 163.131      2.49869  163.869      3.50253  162.367      3.56566  12.7978  0.136841  12.7388  0.139952  
1 1 1 17 5  9  o 7.93742  0.0695458 63.0108      1.10403  61.9814      1.49881  64.2319      1.63239  7.87186  0.0952006 8.01335  0.101854  
1 1 1 17 5  10 o 19.9553  0.146882  398.435      5.86215  393.783      8.40523  402.841      8.18003  19.8324  0.211906  20.0601  0.203888  
1 1 1 17 5  11 o 6.50401  0.0608431 42.306       0.791447 43.651       1.11481  40.9391      1.1238   6.60631  0.0843746 6.39776  0.0878273 
1 1 1 17 5  12 o 8.7782   0.0711364 77.066       1.2489   75.0065      1.74517  79.2279      1.78803  8.65958  0.100765  8.89993  0.100452  
1 1 1 17 5  13 o 6.00434  0.0653713 36.0552      0.785023 35.2606      1.10614  36.8616      1.11428  5.93752  0.0931485 6.07084  0.0917733 
1 1 1 17 5  14 o 12.2259  0.092425  149.495      2.25996  148.687      3.25601  150.247      3.13932  12.1918  0.133533  12.2558  0.128075  
1 1 1 17 5  15 o 18.7587  0.133738  351.983      5.01749  348.678      7.03537  355.403      7.15782  18.6679  0.188435  18.847   0.189893  
1 1 1 17 5  16 o 19.6242  0.13808   385.219      5.41942  379.54       7.64248  390.963      7.68613  19.4761  0.196201  19.7671  0.194417  
1 1 1 17 5  17 o 17.235   0.131227  297.121      4.52337  292.56       6.47523  301.467      6.32156  17.0997  0.189338  17.3584  0.182089  
1 1 1 17 5  18 o 8.42499  0.0849829 70.9894      1.43196  78.6553      2.20417  65.3911      1.8836   8.86758  0.124283  8.08552  0.11648   
1 1 1 17 5  19 o 9.32716  0.0814793 87.0076      1.51994  85.5862      2.15049  88.4264      2.14855  9.25     0.116243  9.40228  0.114257  
1 1 1 17 5  20 o 9.02952  0.0823738 81.5443      1.48759  82.4371      2.11404  80.6686      2.09366  9.07815  0.116435  8.98024  0.11657   
1 1 1 17 5  21 o 1.58008  0.28451   2.57933      0.866314 3.05805      1.21681  2.08724      1.23367  1.71291  0.365912  1.42613  0.410373  
1 1 1 17 5  22 o 7.42874  0.0907858 55.1991      1.34885  54.0767      1.89206  56.3591      1.92345  7.35195  0.128677  7.50551  0.128136  
1 1 1 17 5  23 o 3.30216  0.162039  10.9141      1.07016  11.3522      1.49763  10.4569      1.52974  3.36643  0.222436  3.2306   0.236758  
1 1 1 17 5  24 o 4.3707   0.119903  19.1155      1.04812  19.119       1.46379  19.1117      1.50145  4.36972  0.167493  4.36874  0.17184   
1 1 1 17 5  25 o 5.67907  0.10482   32.2716      1.19056  31.7738      1.66797  32.7888      1.69991  5.63338  0.148043  5.72263  0.148525  
1 1 1 17 5  26 f 9.3803   0.0948688 88.0443      1.7798   86.2878      2.47937  89.9118      2.55642  9.28337  0.133538  9.47619  0.134887  
1 1 1 17 5  27 o 1.67413  0.304704  2.91344      0.982499 2.92697      1.48462  2.90289      1.31054  1.66632  0.439222  1.65905  0.399214  
1 1 1 17 5  28 f 5.55546  0.107482  30.9031      1.19422  29.6189      1.65867  32.2854      1.72081  5.43522  0.152585  5.6747   0.151622  
1 1 1 17 5  29 o 1.19256  0.363019  1.45684      0.943322 2.9116       1.32336  -0.0459296   1.34502  1.65528  0.402961  0.934574 0.401005  
1 1 1 17 5  30 o 6.70262  0.0951658 44.9925      1.27572  46.6243      1.85259  43.521       1.7593   6.8177   0.135866  6.58724  0.133539  
1 1 1 17 5  31 o 1.00807  0.349288  0.945502     0.860404 1.53865      1.22724  0.372124     1.20661  1.24937  0.417643  0.961844 0.393742  
1 1 1 17 5  32 o 0.900082 0.344034  0.58744      0.865289 0.198092     1.23772  0.959641     1.21016  0.93497  0.392172  1.09236  0.409714  
1 1 1 17 5  33 f 3.89992  0.135662  15.2899      1.05814  15.8929      1.46467  14.6316      1.53037  3.96734  0.184591  3.8032   0.201195  
1 1 1 17 5  34 o 1.60837  0.317203  2.75925      0.984028 2.61072      1.3916   2.90779      1.39166  1.54267  0.433286  1.62578  0.423736  
1 1 1 17 5  35 o 2.8386   0.185433  8.16065      1.05274  7.75128      1.49671  8.56147      1.481    2.74621  0.272504  2.89072  0.256166  
1 1 1 17 5  36 o 3.96878  0.144365  15.8971      1.14591  17.096       1.56678  14.5182      1.68028  4.10151  0.191     3.76876  0.222923  
1 1 1 17 5  37 o 1.13223  0.377931  1.34226      1.00495  2.02207      1.39537  0.609643     1.44854  1.35586  0.445334  1.04687  0.430459  
1 1 1 17 5  38 o 0.827963 0.357822  0.0336756    1.08526  0.19895      1.50691  -0.144422    1.56428  0.983248 0.423245  0.948063 0.419065  
1 1 1 17 5  39 f 1.9252   0.282307  3.92763      1.08699  3.71703      1.52138  4.14724      1.55361  1.77671  0.43177   1.88502  0.422596  
1 1 1 17 5  40 o 3.01364  0.196412  9.38568      1.18383  10.1314      1.66158  8.61689      1.68708  3.08796  0.269042  2.82888  0.29819   
1 1 1 17 5  41 o 3.51902  0.165802  12.7515      1.16692  12.9799      1.67353  12.5354      1.62796  3.4961   0.239343  3.43786  0.23677   
1 1 1 17 5  42 f 0.820184 0.348513  0.316471     0.99866  -0.0742312   1.43161  0.686798     1.39378  0.870192 0.391639  0.980336 0.413909  
1 1 1 17 5  43 o 1.08029  0.386848  1.45364      1.06301  2.5843       1.52896  0.395722     1.47895  1.33897  0.465458  0.917499 0.406268  
1 1 1 17 5  44 o 0.945459 0.378531  1.02762      1.08455  1.53604      1.45445  0.390856     1.62771  1.07055  0.4343    0.910387 0.413183  
1 1 1 17 5  45 o 0.685232 0.324731  -0.497688    1.19668  -0.787237    1.69642  -0.210895    1.68833  0.760373 0.367449  0.807828 0.384192  
1 1 1 17 5  46 o 0.651387 0.31529   -0.600901    1.26843  0.313455     1.75797  -1.59385     1.83196  0.794456 0.381585  0.679625 0.338447  
1 1 1 17 5  47 o 1.34167  0.472547  4.50832      1.5803   2.76643      2.1945   6.38462      2.27759  0.909335 0.434229  1.27128  0.532555  
1 1 1 17 6  0  o 5.94483  0.072606  35.3592      0.862971 35.3592      0.862971 35.3592      0.862971 5.94559  0.051325  ?        ?         
1 1 1 17 6  1  o 7.1683   0.055097  51.3886      0.789904 51.7393      1.12198  51.0439      1.11226  7.19244  0.0779975 7.14395  0.0778466 
1 1 1 17 6  2  o 7.52902  0.059348  56.6913      0.893664 55.5368      1.22633  57.9986      1.305    7.45165  0.0822856 7.61496  0.0856868 
1 1 1 17 6  3  o 7.38455  0.0605822 54.5367      0.894744 53.6439      1.26126  55.4412      1.2695   7.32349  0.0861102 7.44518  0.0852568 
1 1 1 17 6  4  o 16.026   0.117994  256.928      3.78197  258.281      5.37903  255.605      5.3185   16.0652  0.167413  15.9818  0.166392  
1 1 1 17 6  5  o 3.55017  0.0473835 12.6045      0.336439 12.5309      0.4769   12.6773      0.474699 3.53969  0.0673647 3.56031  0.0666655 
1 1 1 17 6  6  o 13.638   0.0992916 186.046      2.70828  187.418      3.85894  184.714      3.80188  13.6864  0.140978  13.5873  0.139905  
1 1 1 17 6  7  o 4.65193  0.0535686 21.6421      0.498394 22.7734      0.736471 20.6863      0.676956 4.77176  0.0771698 4.54787  0.0744256 
1 1 1 17 6  8  o 12.7267  0.0951215 162.01       2.42117  161.846      3.37949  162.183      3.47041  12.7188  0.132855  12.7318  0.136289  
1 1 1 17 6  9  f 15.1735  0.112075  230.311      3.40113  230.408      4.87324  230.219      4.74901  15.174   0.160579  15.168   0.156546  
1 1 1 17 6  10 o 3.20654  0.0713992 10.2832      0.457888 9.31312      0.627522 11.3879      0.669631 3.05133  0.102828  3.37417  0.0992291 
1 1 1 17 6  11 o 5.78761  0.0586215 33.4992      0.678556 33.7095      0.94778  33.2779      0.971922 5.80552  0.0816275 5.7682   0.0842483 
1 1 1 17 6  12 o 22.4159  0.157135  502.761      7.04463  504.398      9.98852  501.141      9.93691  22.4457  0.222504  22.3732  0.222072  
1 1 1 17 6  13 o 11.0266  0.0819711 121.602      1.80773  122.555      2.59733  120.706      2.51756  11.069   0.117325  10.9852  0.114589  
1 1 1 17 6  14 f 10.0941  0.0816445 101.902      1.64826  101.33       2.34862  102.458      2.31376  10.0651  0.116671  10.121   0.114304  
1 1 1 17 6  15 o 23.0587  0.158657  531.898      7.31686  526.582      10.2415  537.439      10.457   22.9389  0.223235  23.174   0.225621  
1 1 1 17 6  16 f 13.2694  0.0979725 176.101      2.60007  174.388      3.64511  177.876      3.70986  13.2037  0.138033  13.3351  0.139102  
1 1 1 17 6  17 o 17.7026  0.128135  313.459      4.53663  310.007      6.49591  316.745      6.33851  17.6023  0.184518  17.7929  0.178119  
1 1 1 17 6  18 o 4.81122  0.0782475 23.1504      0.752931 24.3919      1.0814   21.9822      1.04895  4.93827  0.109492  4.68799  0.111876  
1 1 1 17 6  19 o 13.6943  0.101738  187.573      2.78644  188.34       3.90789  186.778      3.9742   13.7208  0.142407  13.6637  0.145429  
1 1 1 17 6  20 o 1.82757  0.20496   3.34309      0.749158 2.86908      1.06226  3.81215      1.0567   1.66289  0.331148  1.95089  0.270824  
1 1 1 17 6  21 o 12.4259  0.104755  154.445      2.60335  156.084      3.67183  152.789      3.69163  12.4899  0.146991  12.3573  0.149371  
1 1 1 17 6  22 o 3.72699  0.133942  13.8978      0.998403 14.6738      1.37649  13.0362      1.45031  3.82882  0.179753  3.60842  0.200963  
1 1 1 17 6  23 o 3.87972  0.136963  15.0624      1.06275  14.6221      1.49522  15.5119      1.51082  3.82123  0.195646  3.93589  0.191929  
1 1 1 17 6  24 o 2.22046  0.215353  4.9412       0.956366 5.51627      1.35575  4.3716       1.34928  2.34403  0.289193  2.08567  0.323465  
1 1 1 17 6  25 o 9.38164  0.0982178 88.0642      1.84289  90.6777      2.53016  85.111       2.68961  9.51762  0.13292   9.21989  0.145859  
1 1 1 17 6  26 o 5.97763  0.100546  35.7578      1.20206  36.2757      1.67743  35.211       1.72343  6.01872  0.139351  5.92937  0.14533   
1 1 1 17 6  27 f 6.60876  0.102775  43.7195      1.35843  43.0176      2.01419  44.3052      1.83985  6.55146  0.153721  6.6502   0.13833   
1 1 1 17 6  28 o 4.86878  0.112403  23.7393      1.09453  25.5505      1.59961  22.1448      1.50091  5.04745  0.158457  4.69892  0.159708  
1 1 1 17 6  29 o 3.56508  0.137498  12.7438      0.980379 12.8567      1.39123  12.6324      1.38175  3.57602  0.194522  3.54465  0.194907  
1 1 1 17 6  30 o 4.26436  0.115592  18.2263      0.985851 17.5429      1.40582  18.8876      1.38287  4.17825  0.168231  4.3365   0.159445  
1 1 1 17 6  31 o 6.65369  0.0951205 44.353       1.2658   43.0227      1.78383  45.7023      1.79647  6.54689  0.136235  6.74827  0.133106  
1 1 1 17 6  32 f 4.44496  0.12394   19.8309      1.10182  19.8301      1.6185   19.8315      1.50419  4.43534  0.182455  4.43792  0.16947   
1 1 1 17 6  33 o 3.82572  0.133862  14.713       1.02424  15.4305      1.45893  14.0157      1.43828  3.90839  0.18664   3.72358  0.193131  
1 1 1 17 6  34 o 2.3504   0.215353  5.61377      1.01233  6.01368      1.45974  5.24323      1.40513  2.41378  0.302376  2.25159  0.312031  
1 1 1 17 6  35 o 1.988    0.257316  4.05191      1.02309  6.03189      1.47207  2.20194      1.42292  2.41342  0.304975  1.42623  0.448244  
1 1 1 17 6  36 o 0.719701 0.327166  -0.526067    1.02965  -1.90079     1.4441   0.895477     1.46849  0.719392 0.345607  1.11504  0.442485  
1 1 1 17 6  37 o 2.24829  0.227061  5.20156      1.021    5.90317      1.4627   4.53489      1.42582  2.36655  0.309037  2.02952  0.364514  
1 1 1 17 6  38 o 2.64401  0.216098  7.1981       1.14273  8.39335      1.67243  6.15141      1.56504  2.81872  0.296664  2.39978  0.32608   
1 1 1 17 6  39 o 2.61219  0.211543  7.05338      1.10518  7.10412      1.53956  6.99943      1.58747  2.58038  0.29832   2.5545   0.310721  
1 1 1 17 6  40 o 3.87485  0.160822  15.3545      1.24632  15.9437      1.74091  14.7351      1.78505  3.90918  0.22267   3.74689  0.238204  
1 1 1 17 6  41 o 2.00399  0.275179  4.35495      1.10291  4.71649      1.58128  4.01244      1.53909  1.96655  0.414956  1.79415  0.433197  
1 1 1 17 6  42 o 1.52083  0.339359  2.74003      1.00573  3.19846      1.40887  2.26367      1.43615  1.57026  0.434293  1.31814  0.451792  
1 1 1 17 6  43 o 0.84501  0.360075  0.468704     1.07136  1.58786      1.50522  -0.680435    1.52525  1.11692  0.446456  0.792283 0.372364  
1 1 1 17 6  44 o 1.01243  0.385075  1.33351      1.07967  0.563716     1.4887   2.18766      1.56816  0.906354 0.403886  1.18622  0.460808  
1 1 1 17 6  45 o 0.823633 0.366892  0.527647     1.22749  0.473505     1.78363  0.57636      1.69185  0.88303  0.411985  0.885215 0.408447  
1 1 1 17 6  46 o 0.669847 0.321344  -0.31324     1.23731  -0.300464    1.74446  -0.326175    1.75523  0.741352 0.361523  0.740459 0.361366  
1 1 1 17 6  47 o 0.724057 0.349598  0.497737     1.52406  -0.107504    2.11497  1.1515       2.19812  0.714542 0.356925  0.778794 0.38471   
1 1 1 17 7  0  o 13.8333  0.144652  191.474      4.00104  191.474      4.00104  191.474      4.00104  13.8353  0.102257  ?        ?         
1 1 1 17 7  1  o 13.745   0.100271  188.976      2.75646  189.107      3.94799  188.85       3.85029  13.7479  0.143585  13.7388  0.140125  
1 1 1 17 7  2  o 20.4693  0.147599  419.231      6.04252  411.281      8.50347  427.339      8.58797  20.2684  0.209772  20.6605  0.207836  
1 1 1 17 7  3  o 17.5421  0.131948  307.865      4.62927  307.882      6.54514  307.848      6.54842  17.5385  0.186593  17.5375  0.186698  
1 1 1 17 7  4  o 13.5439  0.100706  183.488      2.72793  183.832      3.96626  183.18       3.7579   13.5546  0.146307  13.5309  0.138864  
1 1 1 17 7  5  o 12.8287  0.0936759 164.615      2.40348  164.092      3.3888   165.144      3.40937  12.8068  0.132305  12.8478  0.132683  
1 1 1 17 7  6  o 6.95628  0.0595359 48.3945      0.828296 47.3596      1.13273  49.5839      1.21429  6.88119  0.0823067 7.04086  0.0862315 
1 1 1 17 7  7  o 4.59119  0.0540337 21.0808      0.496158 22.2233      0.716134 20.0261      0.688056 4.71378  0.0759619 4.47468  0.0768832 
1 1 1 17 7  8  o 7.79765  0.0663756 60.8106      1.03515  61.4571      1.47755  60.1875      1.45066  7.83851  0.0942495 7.75714  0.0935047 
1 1 1 17 7  9  o 11.0027  0.0837068 121.081      1.842    122.695      2.63455  119.537      2.57638  11.0748  0.118944  10.9313  0.117844  
1 1 1 17 7  10 o 12.945   0.0943376 167.61       2.4424   167.268      3.44893  167.954      3.45924  12.9303  0.133366  12.9568  0.133491  
1 1 1 17 7  11 f 5.26653  0.0604879 27.7387      0.637123 28.7226      0.897287 26.7382      0.904815 5.3589   0.0837194 5.17043  0.0874991 
1 1 1 17 7  12 o 6.25611  0.0649494 39.1425      0.812661 39.8428      1.14704  38.4367      1.15152  6.31154  0.0908688 6.19914  0.0928776 
1 1 1 17 7  13 o 8.60993  0.0749566 74.1385      1.29074  73.691       1.94212  74.4924      1.72745  8.58333  0.113133  8.6301   0.100083  
1 1 1 17 7  14 o 11.7437  0.0908105 137.932      2.1329   137.294      2.96756  138.614      3.06769  11.7157  0.126648  11.7719  0.130298  
1 1 1 17 7  15 o 10.8938  0.0842213 118.687      1.83498  119.748      2.61776  117.662      2.57293  10.9418  0.119622  10.8461  0.118611  
1 1 1 17 7  16 o 11.9864  0.0907382 143.691      2.17525  143.689      3.07897  143.694      3.07357  11.9855  0.128445  11.9857  0.128218  
1 1 1 17 7  17 f 9.85329  0.0820848 97.0977      1.61761  99.1913      2.28723  95.0025      2.28807  9.95842  0.114839  9.74583  0.117387  
1 1 1 17 7  18 o 2.31833  0.135797  5.37652      0.629646 5.07718      0.883824 5.68501      0.897235 2.25244  0.196193  2.38352  0.188216  
1 1 1 17 7  19 o 4.2001   0.0952987 17.6442      0.800529 18.2407      1.11974  17.0206      1.14492  4.27014  0.131113  4.12477  0.138786  
1 1 1 17 7  20 o 9.90407  0.0926056 98.1096      1.83434  97.219       2.57796  99.0229      2.61066  9.85806  0.130754  9.94909  0.131201  
1 1 1 17 7  21 o 7.26854  0.0871701 52.8421      1.2672   51.6133      1.76193  54.1588      1.82385  7.18282  0.122649  7.35778  0.12394   
1 1 1 17 7  22 f 4.36002  0.124786  19.0188      1.08814  18.3718      1.53947  19.6647      1.53824  4.28413  0.179671  4.43246  0.17352   
1 1 1 17 7  23 o 17.2282  0.135638  297.021      4.67361  297.552      6.45258  296.434      6.77841  17.2381  0.187161  17.2044  0.196997  
1 1 1 17 7  24 o 6.39087  0.100434  40.8634      1.28372  38.8174      1.75846  43.1979      1.87837  6.22731  0.141189  6.56921  0.142968  
1 1 1 17 7  25 o 1.59673  0.311596  2.6511       0.959568 3.47097      1.32254  1.73975      1.39438  1.82217  0.375739  1.34413  0.445176  
1 1 1 17 7  26 o 2.29044  0.200541  5.26179      0.918652 3.93066      1.3013   6.58425      1.29705  1.94477  0.347054  2.55981  0.25335   
1 1 1 17 7  27 o 6.67043  0.100359  44.5398      1.33888  44.8525      1.95862  44.2655      1.8344   6.69004  0.146383  6.64691  0.137989  
1 1 1 17 7  28 o 10.3378  0.0967948 106.99       2.0013   105.399      2.83366  108.573      2.82687  10.2547  0.138164  10.4084  0.135798  
1 1 1 17 7  29 o 1.99213  0.230193  3.99906      0.917148 2.94864      1.32273  4.97167      1.27279  1.665    0.401333  2.21642  0.287129  
1 1 1 17 7  30 o 0.69402  0.306512  -0.243946    0.834451 0.457348     1.19743  -0.906034    1.16348  0.978187 0.3952    0.733213 0.338465  
1 1 1 17 7  31 o 1.80973  0.23636   3.31297      0.855495 2.88166      1.21697  3.73433      1.20286  1.64229  0.37809   1.9131   0.314374  
1 1 1 17 7  32 o 4.22228  0.125811  17.8981      1.06242  17.2011      1.53513  18.5388      1.47186  4.12972  0.185863  4.29     0.171545  
1 1 1 17 7  33 o 0.770861 0.326925  0.0643055    0.875915 0.292502     1.24341  -0.16049     1.23411  0.950464 0.395524  0.865439 0.377841  
1 1 1 17 7  34 o 2.76162  0.187661  7.72312      1.0365   7.38545      1.46344  8.06301      1.46823  2.68177  0.27285   2.80503  0.261713  
1 1 1 17 7  35 o 2.90917  0.175881  8.56582      1.02334  9.0519       1.46956  8.10821      1.42586  2.97327  0.247129  2.8123   0.253505  
1 1 1 17 7  36 o 4.96733  0.12273   24.8587      1.21928  24.2371      1.68724  25.5382      1.76395  4.88742  0.172611  5.01552  0.175849  
1 1 1 17 7  37 o 1.00068  0.374405  0.886046     1.00933  1.0503       1.45809  0.734919     1.3986   1.13232  0.443421  1.05597  0.426909  
1 1 1 17 7  38 o 2.74561  0.2021    7.73808      1.10978  8.45593      1.58057  7.04005      1.55859  2.83696  0.278567  2.57754  0.302339  
1 1 1 17 7  39 o 0.800982 0.349768  -0.0249202   1.05796  0.735611     1.49353  -0.790879    1.49885  1.05971  0.436644  0.835426 0.385082  
1 1 1 17 7  40 o 1.71614  0.335529  3.31795      1.11056  2.58994      1.55781  4.0703       1.58364  1.45684  0.470291  1.83892  0.436544  
1 1 1 17 7  41 o 2.07267  0.260064  4.62846      1.07805  3.88704      1.49525  5.43109      1.55575  1.76603  0.427343  2.17633  0.357424  
1 1 1 17 7  42 o 1.45104  0.345161  2.52135      0.988464 2.84685      1.40623  2.20344      1.38972  1.46985  0.442392  1.30157  0.444432  
1 1 1 17 7  43 o 0.740845 0.335104  -0.0949645   1.06129  -0.954476    1.49612  0.775597     1.5057   0.75522  0.360135  0.968842 0.420125  
1 1 1 17 7  44 o 0.559932 0.275155  -1.54469     1.05924  -2.27286     1.47722  -0.77407     1.51966  0.630007 0.312216  0.754215 0.36044   
1 1 1 17 7  45 o 0.726828 0.340937  -0.223773    1.25985  0.650048     1.78277  -1.09549     1.78063  0.897708 0.41614   0.748378 0.365004  
1 1 1 17 7  46 o 0.927654 0.389178  1.58226      1.21928  0.858401     1.75186  2.26233      1.69804  0.827958 0.392621  0.985177 0.435895  
1 1 1 17 7  47 o 0.657624 0.323984  -0.28509     1.53265  0.58173      2.16886  -1.14973     2.16613  0.734888 0.366286  0.66335  0.335354  
1 1 1 17 8  0  o 13.9132  0.138579  193.684      3.85529  193.684      3.85529  193.684      3.85529  13.9151  0.0979655 ?        ?         
1 1 1 17 8  1  o 17.2633  0.12058   298.136      4.16321  299.832      5.91851  296.475      5.85729  17.3089  0.170967  17.2118  0.170153  
1 1 1 17 8  2  o 10.0918  0.074985  101.86       1.51347  102.597      2.15498  101.142      2.12605  10.1275  0.106392  10.0555  0.105716  
1 1 1 17 8  3  o 9.32263  0.0715948 86.9233      1.3349   86.4004      1.85627  87.4834      1.92107  9.29393  0.0998645 9.35193  0.10271   
1 1 1 17 8  4  o 7.08931  0.0596653 50.2632      0.845972 49.6735      1.18489  50.8763      1.20822  7.04727  0.0840676 7.13207  0.0847032 
1 1 1 17 8  5  o 14.1536  0.105237  200.386      2.97897  200.05       4.21002  200.723      4.21578  14.1396  0.148873  14.1634  0.148827  
1 1 1 17 8  6  o 2.3784   0.0630374 5.65741      0.299856 6.16246      0.440461 5.22115      0.409366 2.48216  0.0887254 2.28473  0.0895875 
1 1 1 17 8  7  o 3.93476  0.0535119 15.4835      0.421113 15.4185      0.609451 15.543       0.582547 3.92631  0.0776111 3.94216  0.0738867 
1 1 1 17 8  8  o 4.58149  0.0570669 20.9919      0.522903 21.1041      0.737358 20.8783      0.741655 4.59353  0.0802604 4.56888  0.0811638 
1 1 1 17 8  9  o 9.75031  0.0747951 95.0819      1.45855  95.0858      2.06528  95.078       2.06013  9.7498   0.105914  9.74941  0.105654  
1 1 1 17 8  10 o 12.5682  0.0930057 157.992      2.33783  159.366      3.29136  156.593      3.32121  12.6214  0.130388  12.511   0.132731  
1 1 1 17 8  11 o 10.7697  0.0819638 116.005      1.76546  115.026      2.47801  117.015      2.51588  10.7233  0.115543  10.8156  0.116308  
1 1 1 17 8  12 o 22.0207  0.149504  485.128      6.58434  483.366      9.38038  486.84       9.24443  21.9753  0.21343   22.0545  0.209581  
1 1 1 17 8  13 o 19.5487  0.140042  382.281      5.4753   385.147      7.53676  379.078      7.96768  19.6189  0.192079  19.4628  0.20469   
1 1 1 17 8  14 o 17.1534  0.12313   294.306      4.22421  296.706      5.75785  291.509      6.21634  17.2215  0.16717   17.0693  0.182091  
1 1 1 17 8  15 o 17.2161  0.123869  296.463      4.26511  295.348      6.00698  297.596      6.05688  17.1817  0.174807  17.247   0.175593  
1 1 1 17 8  16 o 13.2253  0.0965389 174.932      2.5535   173.893      3.6318   175.947      3.59094  13.1849  0.137725  13.2626  0.135378  
1 1 1 17 8  17 f 10.3407  0.0844764 106.942      1.74709  105.783      2.41383  108.218      2.5319   10.2839  0.11736   10.4015  0.121709  
1 1 1 17 8  18 o 6.05143  0.0735788 36.6238      0.890514 36.9348      1.25394  36.3073      1.26488  6.07676  0.103175  6.0249   0.104971  
1 1 1 17 8  19 o 12.2856  0.0939722 150.965      2.30902  148.998      3.22232  153.042      3.31035  12.2042  0.132017  12.3686  0.13382   
1 1 1 17 8  20 o 7.39624  0.0887011 54.7144      1.31211  52.203       1.83476  57.3432      1.87718  7.2238   0.126994  7.57117  0.123969  
1 1 1 17 8  21 o 8.03819  0.0878269 64.6259      1.41194  64.9502      1.99748  64.3021      1.99609  8.05749  0.123952  8.01717  0.124488  
1 1 1 17 8  22 o 5.35804  0.111624  28.7199      1.19618  28.7711      1.72858  28.6728      1.65699  5.36168  0.161197  5.35268  0.154781  
1 1 1 17 8  23 o 6.48669  0.0970392 42.0933      1.25893  42.1946      1.75643  41.9863      1.80536  6.49329  0.13525   6.47709  0.139365  
1 1 1 17 8  24 o 14.9596  0.118269  223.951      3.53851  223.779      4.99218  224.124      5.01632  14.9486  0.166978  14.96    0.167657  
1 1 1 17 8  25 o 3.53556  0.137739  12.5149      0.97397  11.5329      1.36349  13.5381      1.39175  3.39171  0.201003  3.67528  0.189339  
1 1 1 17 8  26 o 4.3831   0.114421  19.2311      1.00304  19.5837      1.41685  18.877       1.42017  4.42088  0.160246  4.34019  0.163607  
1 1 1 17 8  27 o 2.19402  0.217019  4.83741      0.95229  5.97069      1.39062  3.83669      1.30677  2.43322  0.285758  1.91664  0.354225  
1 1 1 17 8  28 o 3.31566  0.144399  11.022       0.957556 10.6453      1.36958  11.3822      1.33931  3.25378  0.21046   3.36549  0.198976  
1 1 1 17 8  29 o 3.75318  0.131519  14.1226      0.987226 14.4093      1.41098  13.8478      1.38177  3.78608  0.186338  3.7116   0.186143  
1 1 1 17 8  30 o 3.10324  0.146068  9.66745      0.906569 9.86329      1.30501  9.48478      1.26032  3.1282   0.208588  3.06795  0.205402  
1 1 1 17 8  31 o 2.6734   0.164072  7.1876       0.877261 6.85544      1.23592  7.52488      1.2454   2.60299  0.237405  2.72833  0.228235  
1 1 1 17 8  32 o 4.36804  0.12484   19.1567      1.09062  20.4222      1.55377  17.9277      1.53121  4.50187  0.172569  4.21626  0.181583  
1 1 1 17 8  33 o 2.9898   0.155912  9.00536      0.93229  9.54201      1.32467  8.47866      1.31233  3.06718  0.215943  2.88908  0.227119  
1 1 1 17 8  34 o 5.12865  0.126553  26.4549      1.29809  25.7441      1.86763  27.1192      1.80549  5.0426   0.185185  5.17916  0.174304  
1 1 1 17 8  35 o 1.33743  0.349021  1.94348      0.943403 1.72618      1.34425  2.15439      1.32432  1.29294  0.4371    1.4068   0.430507  
1 1 1 17 8  36 o 1.7678   0.281378  3.24888      0.994841 4.76993      1.38151  1.61055      1.43378  2.12897  0.324455  1.26277  0.449565  
1 1 1 17 8  37 o 3.59524  0.154922  13.1055      1.11396  14.0307      1.58089  12.193       1.56994  3.697    0.213807  3.44022  0.228173  
1 1 1 17 8  38 o 1.37338  0.375194  2.13265      1.05947  1.90314      1.48964  2.3676       1.50715  1.31685  0.459275  1.433    0.462579  
1 1 1 17 8  39 o 2.59092  0.216248  6.95186      1.12057  6.38987      1.55943  7.55183      1.61128  2.43443  0.320287  2.65652  0.303268  
1 1 1 17 8  40 f 2.52996  0.221415  6.67788      1.12034  9.0524       1.57051  4.21746      1.59867  2.91657  0.26924   1.87356  0.434681  
1 1 1 17 8  41 o 1.80514  0.299073  3.60052      1.07974  5.05739      1.523    2.12832      1.53099  2.05875  0.38417   1.30357  0.464509  
1 1 1 17 8  42 o 0.8408   0.352583  0.439066     1.00003  1.80703      1.40846  -0.951655    1.42012  1.20022  0.443621  0.756657 0.35669   
1 1 1 17 8  43 o 0.55528  0.273514  -1.73776     1.06395  -1.45935     1.46844  -2.04543     1.54369  0.702084 0.339727  0.67854  0.333031  
1 1 1 17 8  44 o 0.615684 0.296441  -0.975375    1.07716  -0.546999    1.49789  -1.43414     1.55012  0.766617 0.363304  0.702332 0.342189  
1 1 1 17 8  45 o 0.899635 0.386256  1.0132       1.24928  0.826498     1.75589  1.2046       1.77781  0.909908 0.41835   0.953937 0.432486  
1 1 1 17 8  46 o 0.628637 0.307149  -0.781562    1.27973  -0.55058     1.82589  -1.00459     1.79416  0.723138 0.356164  0.692602 0.343442  
1 1 1 17 9  0  o 4.41325  0.0671671 19.4915      0.592541 19.4915      0.592541 19.4915      0.592541 4.41408  0.0474729 ?        ?         
1 1 1 17 9  1  o 13.1534  0.0930258 173.053      2.44722  173.546      3.46881  172.564      3.45302  13.1706  0.131688  13.1333  0.13146   
1 1 1 17 9  2  o 21.266   0.153232  452.529      6.51725  448.406      9.25081  456.592      9.18314  21.1619  0.218572  21.3546  0.215015  
1 1 1 17 9  3  o 6.39778  0.0565941 40.9352      0.724153 39.0719      0.979831 43.1779      1.07498  6.25023  0.0783836 6.57039  0.0818052 
1 1 1 17 9  4  o 17.9532  0.131809  322.47       4.73278  323.11       6.70871  321.836      6.67772  17.9666  0.186699  17.9312  0.186204  
1 1 1 17 9  5  o 13.6262  0.107188  185.733      2.92113  185.757      4.12983  185.708      4.13237  13.6249  0.151554  13.6231  0.151668  
1 1 1 17 9  6  o 3.13485  0.0555211 9.82814      0.348101 9.7971       0.496361 9.85818      0.488315 3.12976  0.0792971 3.13951  0.0777692 
1 1 1 17 9  7  o 15.993   0.118868  255.872      3.80211  263.942      5.52619  248.618      5.23927  16.24    0.170141  15.7618  0.166201  
1 1 1 17 9  8  o 20.9639  0.157757  439.763      6.61437  444.378      9.4497   435.33       9.26141  21.0666  0.224282  20.8513  0.222082  
1 1 1 17 9  9  o 19.0869  0.131244  364.465      5.01009  365.799      7.11018  363.149      7.06076  19.1176  0.185959  19.0483  0.185338  
1 1 1 17 9  10 o 21.7252  0.1597    472.271      6.93902  471.573      9.78888  472.976      9.83781  21.7024  0.225525  21.7346  0.226317  
1 1 1 17 9  11 o 3.35277  0.0706486 11.2423      0.473737 11.483       0.672317 11.005       0.667637 3.38828  0.0992121 3.31699  0.100639  
1 1 1 17 9  12 o 17.9401  0.122064  321.936      4.37969  320.581      6.17078  323.312      6.21711  17.8997  0.172371  17.9758  0.172931  
1 1 1 17 9  13 o 14.7819  0.111732  218.549      3.30321  213.4        4.51934  224.454      4.84003  14.6053  0.154715  14.9786  0.161565  
1 1 1 17 9  14 o 11.6248  0.0862775 135.152      2.00592  136.85       2.83469  133.449      2.83892  11.697   0.121172  11.5507  0.12289   
1 1 1 17 9  15 o 14.4235  0.107632  208.072      3.10485  205.545      4.2954   210.837      4.49312  14.3344  0.149828  14.5176  0.154747  
1 1 1 17 9  16 o 7.35965  0.0712679 54.1686      1.04901  53.4689      1.43164  54.9797      1.54151  7.3117   0.0979005 7.41421  0.103956  
1 1 1 17 9  17 o 15.5194  0.11598   240.909      3.59989  239.764      5.12375  242.025      5.05891  15.4805  0.16549   15.5535  0.162629  
1 1 1 17 9  18 o 12.2862  0.0939845 150.979      2.30943  153.062      3.33083  149.05       3.20487  12.3695  0.134639  12.2065  0.131278  
1 1 1 17 9  19 o 15.5032  0.111442  240.414      3.45543  241.817      4.8999   239.025      4.87364  15.5463  0.157591  15.4563  0.157659  
1 1 1 17 9  20 o 1.16312  0.332717  1.3884       0.813306 1.90038      1.12759  0.833209     1.17421  1.36146  0.392518  1.07024  0.403156  
1 1 1 17 9  21 o 1.50481  0.285323  2.3445       0.827578 2.86791      1.16789  1.81663      1.17287  1.65797  0.362199  1.3401   0.404158  
1 1 1 17 9  22 o 3.49117  0.152036  12.1976      1.06157  11.6537      1.56228  12.6641      1.44692  3.41079  0.22902   3.55624  0.203434  
1 1 1 17 9  23 o 6.70887  0.092683  45.0259      1.2436   43.6293      1.74763  46.4584      1.77001  6.60268  0.132342  6.81349  0.12989   
1 1 1 17 9  24 o 9.86285  0.0966244 97.3247      1.90599  97.4317      2.69364  97.2174      2.69731  9.86584  0.136513  9.85496  0.13685   
1 1 1 17 9  25 o 2.74471  0.169043  7.54742      0.927947 8.48146      1.29515  6.56216      1.33018  2.90756  0.222721  2.55599  0.260209  
1 1 1 17 9  26 o 4.71458  0.106296  22.2479      1.00228  21.4806      1.42301  23.0033      1.41193  4.63018  0.153667  4.79186  0.147326  
1 1 1 17 9  27 o 6.69735  0.0989697 44.9017      1.32567  45.0667      1.86139  44.7318      1.88846  6.70628  0.13878   6.68106  0.14133   
1 1 1 17 9  28 o 2.68885  0.170129  7.25697      0.914903 7.03506      1.31399  7.4658       1.27465  2.64181  0.248691  2.72272  0.234076  
1 1 1 17 9  29 o 5.95276  0.100973  35.4909      1.20214  34.8168      1.70126  36.1631      1.69891  5.89104  0.144394  6.00424  0.141476  
1 1 1 17 9  30 o 5.71746  0.100248  32.751       1.14633  33.9091      1.68475  31.7527      1.56424  5.81168  0.144945  5.62474  0.13905   
1 1 1 17 9  31 o 1.06046  0.342127  1.12699      0.824523 1.49484      1.15579  0.745774     1.17659  1.22521  0.405304  1.03332  0.399617  
1 1 1 17 9  32 o 3.47328  0.1478    12.1346      1.0267   10.8989      1.45362  13.3647      1.45033  3.27992  0.221594  3.63653  0.199412  
1 1 1 17 9  33 o 1.08664  0.34956   1.20526      0.861191 1.3394       1.20273  1.06412      1.23368  1.17962  0.41256   1.11583  0.414634  
1 1 1 17 9  34 o 2.20124  0.234011  4.94076      1.03023  5.42912      1.51382  4.51945      1.40608  2.28511  0.331235  2.08339  0.33745   
1 1 1 17 9  35 o 4.59504  0.119224  21.2343      1.09568  20.5914      1.53236  21.9068      1.56727  4.5117   0.169821  4.65403  0.168378  
1 1 1 17 9  36 o 1.67854  0.305366  3.02986      0.987247 2.00082      1.36273  4.16652      1.43222  1.35412  0.440094  1.94346  0.382086  
1 1 1 17 9  37 o 0.901532 0.363607  0.493498     1.0112   0.0476168    1.41458  0.959446     1.44606  0.937114 0.406802  1.11024  0.43956   
1 1 1 17 9  38 o 1.3718   0.366367  2.12664      1.02448  1.40157      1.46469  2.82116      1.43349  1.19673  0.450376  1.55249  0.440963  
1 1 1 17 9  39 o 0.906698 0.372337  0.472867     1.08237  -0.623613    1.543    1.53508      1.5187   0.868276 0.396253  1.22285  0.458919  
1 1 1 17 9  40 o 1.64017  0.333998  3.04301      1.05761  2.30675      1.51073  3.75065      1.48109  1.38276  0.463378  1.76772  0.423788  
1 1 1 17 9  41 o 3.04966  0.180532  9.66589      1.10112  8.9754       1.58189  10.3149      1.53367  2.86782  0.275801  3.09984  0.247379  
1 1 1 17 9  42 o 0.786225 0.344731  0.120505     1.03643  -1.80477     1.44445  2.16355      1.48798  0.684498 0.332727  1.27649  0.457629  
1 1 1 17 9  43 o 1.01268  0.384311  1.24952      1.07341  2.50266      1.48845  -0.108433    1.54945  1.30263  0.458628  0.8537   0.392709  
1 1 1 17 9  44 o 0.821758 0.356625  0.529948     1.08655  -0.771688    1.48961  2.00994      1.58839  0.739378 0.354188  1.119    0.453896  
1 1 1 17 9  45 o 0.796208 0.36      0.409002     1.22362  2.1277       1.71917  -1.35559     1.74197  1.07325  0.456693  0.718683 0.353067  
1 1 1 17 9  46 o 0.653857 0.316882  -0.533459    1.29305  -1.91701     1.78431  0.996684     1.87646  0.6469   0.32345   0.840592 0.401434  
1 1 1 17 10 0  o 7.9734   0.0896759 63.6062      1.42964  63.6062      1.42964  63.6062      1.42964  7.97437  0.0633937 ?        ?         
1 1 1 17 10 1  o 18.5545  0.130983  344.432      4.86066  341.544      6.90262  347.273      6.84575  18.4721  0.186839  18.6266  0.183762  
1 1 1 17 10 2  o 8.12757  0.0665922 66.0654      1.08247  66.2198      1.58111  65.9293      1.48507  8.1365   0.0971618 8.11875  0.0914593 
1 1 1 17 10 3  o 14.0477  0.105749  197.399      2.97105  196.431      4.23428  198.337      4.16984  14.0109  0.151106  14.079   0.148088  
1 1 1 17 10 4  o 5.17444  0.0574523 26.7773      0.594567 26.3834      0.821949 27.2097      0.861105 5.13601  0.0800182 5.21579  0.0825478 
1 1 1 17 10 5  o 11.476   0.093368  131.73       2.14298  134.135      3.03458  129.337      3.02669  11.5789  0.131039  11.3699  0.133102  
1 1 1 17 10 6  o 4.02839  0.0535768 16.2292      0.431657 15.8485      0.583575 16.6892      0.641428 3.98073  0.0733001 4.0849   0.0785121 
1 1 1 17 10 7  o 9.29897  0.0694231 86.4815      1.29113  87.0977      1.83687  85.8798      1.81518  9.33144  0.0984237 9.26598  0.0979486 
1 1 1 17 10 8  f 12.8547  0.0965079 165.282      2.48116  169.704      3.6383   161.437      3.39238  13.0239  0.139678  12.7029  0.133527  
1 1 1 17 10 9  o 10.6066  0.0862107 112.521      1.82881  112.073      2.50662  113.03       2.67416  10.5847  0.118408  10.6295  0.125789  
1 1 1 17 10 10 o 4.32473  0.0667552 18.7052      0.577396 17.8415      0.823991 19.5385      0.809329 4.22345  0.0975496 4.4198   0.0915573 
1 1 1 17 10 11 o 1.2772   0.15886   1.63209      0.405792 1.22273      0.573062 2.04378      0.574694 1.08338  0.266062  1.42901  0.201081  
1 1 1 17 10 12 o 8.21439  0.0686816 67.4818      1.12836  69.3581      1.62897  65.7512      1.56445  8.32744  0.0978075 8.10804  0.0964755 
1 1 1 17 10 13 o 10.3841  0.079045  107.84       1.64162  108.724      2.31372  106.944      2.32957  10.4261  0.110958  10.3403  0.112645  
1 1 1 17 10 14 o 6.0995   0.0649191 37.2062      0.791948 38.5375      1.16564  36.0647      1.0793   6.20745  0.0938904 6.00503  0.0898666 
1 1 1 17 10 15 o 10.8193  0.0837662 117.07       1.81259  116.417      2.55725  117.73       2.56957  10.7885  0.118517  10.8492  0.118422  
1 1 1 17 10 16 o 11.5776  0.0907173 134.058      2.10057  133.954      2.83369  134.184      3.12962  11.5725  0.122433  11.5821  0.135106  
1 1 1 17 10 17 o 7.607    0.0779472 57.8729      1.18589  57.611       1.62354  58.1724      1.73634  7.58938  0.106961  7.62616  0.113841  
1 1 1 17 10 18 o 2.5546   0.133246  6.52838      0.680782 6.43588      0.949289 6.62634      0.976844 2.53598  0.187164  2.5732   0.189811  
1 1 1 17 10 19 o 7.15332  0.0872147 51.1785      1.24775  49.1723      1.77457  53.1403      1.75477  7.01105  0.126555  7.28857  0.120378  
1 1 1 17 10 20 o 3.64647  0.11558   13.3012      0.842917 13.639       1.18525  12.9555      1.199    3.6919   0.16052   3.5981   0.166616  
1 1 1 17 10 21 o 10.5984  0.100584  112.359      2.13205  115.283      2.92656  109.052      3.11237  10.7341  0.136321  10.4394  0.149068  
1 1 1 17 10 22 o 7.00679  0.0991176 49.1121      1.38899  49.3331      2.0152   48.912       1.91713  7.0212   0.143508  6.99139  0.137107  
1 1 1 17 10 23 o 2.75631  0.172717  7.60764      0.952121 5.91216      1.38432  9.12972      1.31163  2.42693  0.285199  3.01825  0.217283  
1 1 1 17 10 24 o 9.44121  0.0928202 89.1794      1.75267  90.1595      2.48538  88.2098      2.47197  9.4907   0.130938  9.38747  0.131664  
1 1 1 17 10 25 o 6.29347  0.0989665 39.6342      1.24569  39.5456      1.72812  39.73        1.79724  6.28443  0.137492  6.29876  0.142666  
1 1 1 17 10 26 o 7.03404  0.0921822 49.5146      1.29683  50.3089      1.90027  48.8223      1.77419  7.08726  0.134062  6.98232  0.127049  
1 1 1 17 10 27 f 11.4177  0.101204  130.511      2.31102  131.121      3.20761  129.853      3.33252  11.4384  0.140212  11.3818  0.146397  
1 1 1 17 10 28 o 7.07491  0.0969199 50.1182      1.3714   50.8137      2.0215   49.5251      1.86665  7.11865  0.141986  7.02901  0.132782  
1 1 1 17 10 29 o 6.00756  0.0982722 36.1465      1.18075  36.5357      1.6955   35.78        1.6453   6.03488  0.140475  5.9725   0.13774   
1 1 1 17 10 30 o 1.18185  0.3459    1.45637      0.869247 1.5107       1.24172  1.40415      1.21725  1.2446   0.420101  1.21179  0.415879  
1 1 1 17 10 31 o 4.06653  0.119666  16.5898      0.97325  17.1795      1.38223  16.01        1.37061  4.13192  0.167262  3.98812  0.171836  
1 1 1 17 10 32 o 1.32987  0.340274  1.89428      0.908798 1.67845      1.29045  2.10666      1.28008  1.28779  0.428264  1.40632  0.421845  
1 1 1 17 10 33 o 3.90711  0.122768  15.3394      0.959338 14.3061      1.34239  16.418       1.3715   3.76289  0.178373  4.03296  0.170036  
1 1 1 17 10 34 o 2.06053  0.243378  4.33572      1.00297  3.7519       1.43242  4.89727      1.40482  1.85242  0.398076  2.17233  0.323344  
1 1 1 17 10 35 o 3.40554  0.145597  11.6967      0.991673 10.6353      1.39368  12.7851      1.41136  3.23076  0.21569   3.5472   0.19894   
1 1 1 17 10 36 o 3.08249  0.174851  9.64962      1.07795  10.2691      1.4999   8.9879       1.55025  3.15948  0.237365  2.94645  0.263072  
1 1 1 17 10 37 o 2.88861  0.185024  8.51443      1.06893  8.68399      1.45698  8.31678      1.57307  2.89252  0.251853  2.81901  0.27901   
1 1 1 17 10 38 o 1.21456  0.378031  1.64613      1.01533  1.60934      1.45754  1.68082      1.41519  1.24001  0.45209   1.25218  0.446557  
1 1 1 17 10 39 o 1.75729  0.32004   3.4124       1.08318  1.32865      1.5222   5.54984      1.54168  1.17796  0.454745  2.25634  0.341633  
1 1 1 17 10 40 o 0.825726 0.351157  0.233009     1.01535  -0.171964    1.48431  0.589174     1.39199  0.895773 0.401115  0.992606 0.4161    
1 1 1 17 10 41 o 1.49129  0.350527  2.63882      1.02898  2.87541      1.46142  2.40623      1.44905  1.48796  0.451625  1.3668   0.45382   
1 1 1 17 10 42 o 1.52261  0.348654  2.81815      1.03938  3.50424      1.50494  2.19244      1.43719  1.60739  0.450303  1.27834  0.450602  
1 1 1 17 10 43 o 0.785821 0.345449  0.222576     1.0463   0.692311     1.45157  -0.285414    1.50952  0.942337 0.410612  0.823527 0.382202  
1 1 1 17 10 44 o 0.714219 0.33096   -0.18976     1.12629  -0.985531    1.54683  0.708207     1.64315  0.727752 0.351545  0.915068 0.415262  
1 1 1 17 10 45 o 0.806527 0.364274  0.545394     1.24952  -3.0112      1.69055  4.82781      1.85505  0.609325 0.30666   1.51756  0.513475  
1 1 1 17 10 46 o 0.91793  0.392539  1.55093      1.28125  2.08422      1.78028  0.977917     1.8454   0.956244 0.433197  0.842804 0.401224  
1 1 1 17 11 0  o 16.3179  0.190308  266.516      6.20896  266.516      6.20896  266.516      6.20896  16.3216  0.134517  ?        ?         
1 1 1 17 11 1  o 8.7701   0.0676373 76.9245      1.18637  77.2906      1.7023   76.5788      1.6543   8.79036  0.0968278 8.74984  0.094533  
1 1 1 17 11 2  o 9.68701  0.0788934 93.8544      1.52848  94.8849      2.12817  92.7566      2.19665  9.73926  0.109257  9.62927  0.114061  
1 1 1 17 11 3  o 5.59735  0.0561478 31.3331      0.628557 29.987       0.86452  32.8426      0.915498 5.47556  0.0789435 5.73033  0.0798817 
1 1 1 17 11 4  o 11.2209  0.0913027 125.937      2.04899  126.301      2.86472  125.556      2.93188  11.2358  0.127481  11.2026  0.130857  
1 1 1 17 11 5  o 12.4609  0.0977175 155.313      2.43529  155.444      3.3981   155.174      3.49185  12.4646  0.13631   12.4536  0.140195  
1 1 1 17 11 6  o 11.8228  0.0891296 139.808      2.10753  141.032      2.96748  138.563      2.99369  11.8733  0.124965  11.7688  0.127188  
1 1 1 17 11 7  o 15.8318  0.112262  250.725      3.55461  251.51       5.04387  249.95       5.01024  15.854   0.159073  15.8048  0.158504  
1 1 1 17 11 8  o 16.0009  0.120663  256.118      3.86143  254.803      5.36998  257.526      5.55657  15.957   0.168264  16.0417  0.173192  
1 1 1 17 11 9  o 15.5809  0.112459  242.838      3.50444  242.04       4.99945  243.609      4.91372  15.5528  0.160725  15.6034  0.157457  
1 1 1 17 11 10 o 11.0639  0.0838907 122.429      1.85632  123.943      2.68184  121.036      2.57206  11.1312  0.120465  10.9999  0.116912  
1 1 1 17 11 11 o 1.48461  0.141582  2.2049       0.420387 1.73726      0.604374 2.64322      0.585127 1.29632  0.242103  1.6253   0.180006  
1 1 1 17 11 12 o 10.2541  0.0802302 105.158      1.64538  104.967      2.37871  105.334      2.27838  10.2442  0.1161    10.2622  0.111009  
1 1 1 17 11 13 o 22.8371  0.153697  521.712      7.01996  521.626      9.92885  521.797      9.9266   22.8311  0.217441  22.8349  0.217356  
1 1 1 17 11 14 o 6.38157  0.0673068 40.7271      0.859046 39.9665      1.20755  41.5065      1.22234  6.32147  0.0955116 6.44212  0.0948707 
1 1 1 17 11 15 o 3.11496  0.088866  9.70412      0.553628 9.78841      0.775093 9.61633      0.791047 3.12827  0.123885  3.10063  0.127562  
1 1 1 17 11 16 o 21.9762  0.152101  483.142      6.6852   479.98       9.39405  486.386      9.51573  21.8999  0.214477  22.0454  0.215821  
1 1 1 17 11 17 o 10.639   0.0865863 113.206      1.84239  112.207      2.55224  114.293      2.66231  10.5913  0.120488  10.6891  0.124533  
1 1 1 17 11 18 o 11.1892  0.0956396 125.223      2.14026  121.068      3.0466   129.271      3.00736  11.0009  0.138471  11.3676  0.132277  
1 1 1 17 11 19 o 8.29651  0.0868574 68.844       1.44123  68.0911      1.99809  69.6605      2.08083  8.25034  0.121091  8.34479  0.124678  
1 1 1 17 11 20 o 6.56218  0.08719   43.0708      1.14431  43.2104      1.56401  42.9099      1.67868  6.57224  0.118986  6.54915  0.12816   
1 1 1 17 11 21 o 6.27092  0.101141  39.3366      1.26849  39.7377      1.75024  38.8929      1.84105  6.30194  0.138865  6.23435  0.147653  
1 1 1 17 11 22 o 12.9001  0.107433  166.485      2.7718   168.312      3.9641   164.738      3.87719  12.9677  0.152845  12.8294  0.151105  
1 1 1 17 11 23 o 13.2781  0.109757  176.409      2.91472  180.236      4.23996  172.98       4.01343  13.4171  0.158006  13.1448  0.152663  
1 1 1 17 11 24 o 4.94917  0.10395   24.5098      1.02894  24.5459      1.41967  24.4698      1.4934   4.9514   0.143361  4.94339  0.15105   
1 1 1 17 11 25 f 12.829   0.111724  164.731      2.86662  159.688      4.11402  169.489      3.99657  12.6246  0.162936  13.0077  0.153624  
1 1 1 17 11 26 o 4.58824  0.107823  21.0751      0.989436 21.0045      1.42618  21.1406      1.37383  4.57784  0.155771  4.59306  0.149555  
1 1 1 17 11 27 o 10.0497  0.0969426 101.105      1.94849  102.228      2.79466  100.042      2.7181   10.0997  0.138353  9.99156  0.13602   
1 1 1 17 11 28 o 2.01782  0.22693   4.10093      0.915809 5.0417       1.34593  3.28986      1.24971  2.23118  0.301618  1.76559  0.36619   
1 1 1 17 11 29 o 6.40912  0.0963204 41.1403      1.23466  42.417       1.7827   39.9635      1.7116   6.50257  0.137077  6.31192  0.135585  
1 1 1 17 11 30 o 7.73521  0.097935  59.9482      1.5151   59.0902      2.15681  60.784       2.12881  7.67194  0.140565  7.78193  0.136779  
1 1 1 17 11 31 o 6.52303  0.0959058 42.6411      1.25119  44.2203      1.81511  41.2112      1.72707  6.63543  0.136774  6.40609  0.134799  
1 1 1 17 11 32 o 2.80334  0.166574  7.92092      0.933928 9.55202      1.31487  6.2602       1.32675  3.07078  0.214094  2.47703  0.267812  
1 1 1 17 11 33 o 4.98801  0.108663  24.9781      1.08403  23.236       1.50378  26.8627      1.56409  4.80057  0.156625  5.163    0.151471  
1 1 1 17 11 34 o 1.16862  0.367363  1.43112      0.95567  2.13349      1.44068  0.879196     1.2771   1.41169  0.451921  1.07679  0.416355  
1 1 1 17 11 35 o 1.47911  0.326108  2.36759      0.938765 1.09928      1.34306  3.57919      1.31269  1.13651  0.430298  1.80925  0.375346  
1 1 1 17 11 36 o 2.15968  0.232226  4.79665      1.00307  4.57138      1.35401  5.07065      1.4933   2.08072  0.32537   2.18548  0.341641  
1 1 1 17 11 37 o 1.5637   0.330082  2.69187      1.00023  2.36618      1.39284  3.03869      1.43729  1.43911  0.441729  1.62216  0.434272  
1 1 1 17 11 38 o 1.14478  0.375291  1.43348      0.990955 0.949442     1.40333  1.91489      1.39952  1.08478  0.431902  1.30559  0.445995  
1 1 1 17 11 39 o 1.56765  0.351298  2.78858      1.07397  3.93525      1.51579  1.6327       1.52187  1.82716  0.422838  1.23978  0.460557  
1 1 1 17 11 40 f 0.639603 0.300766  -0.868837    0.997677 -0.846846    1.44109  -0.889078    1.38259  0.796216 0.37103   0.773175 0.361503  
1 1 1 17 11 41 o 1.66086  0.318293  3.17421      1.01957  3.93471      1.44396  2.41804      1.43983  1.77728  0.413616  1.36767  0.452373  
1 1 1 17 11 42 o 0.579815 0.281688  -1.4038      1.03282  -2.90679     1.45891  0.106278     1.46235  0.609657 0.303384  0.883383 0.396787  
1 1 1 17 11 43 o 0.885568 0.36465   0.742595     1.04095  -1.95809     1.44972  3.61692      1.4956   0.65613  0.322258  1.57716  0.451198  
1 1 1 17 11 44 o 0.579364 0.284883  -1.50647     1.13849  -0.804516    1.59222  -2.24081     1.62853  0.747847 0.360158  0.655481 0.325403  
1 1 1 17 11 45 o 0.664377 0.31912   -0.515773    1.22986  0.840516     1.63433  -2.2866      1.86746  0.860754 0.398791  0.665767 0.332883  
1 1 1 17 11 46 o 0.808084 0.365391  0.883525     1.26072  0.810985     1.74814  0.962142     1.81989  0.820386 0.390531  0.8359   0.398177  
1 1 1 17 12 0  o 8.80159  0.093132  77.5033      1.63901  77.5033      1.63901  77.5033      1.63901  8.80259  0.0658385 ?        ?         
1 1 1 17 12 1  o 4.89428  0.0502699 23.9557      0.49207  23.3667      0.69399  24.5511      0.697811 4.83357  0.0717885 4.95457  0.0704209 
1 1 1 17 12 2  o 6.45958  0.0581703 41.7301      0.751512 40.4309      1.04151  43.1411      1.08544  6.35794  0.0819065 6.56758  0.0826365 
1 1 1 17 12 3  o 9.08416  0.0745339 82.5344      1.35416  81.9002      1.87499  83.2259      1.95782  9.04856  0.103607  9.1214   0.10732   
1 1 1 17 12 4  o 10.7993  0.0850289 116.647      1.8365   114.51       2.5518   118.943      2.64513  10.6989  0.119255  10.904   0.121292  
1 1 1 17 12 5  o 2.14121  0.07295   4.58541      0.312402 4.21103      0.430744 5.00086      0.453761 2.05179  0.104968  2.23596  0.101469  
1 1 1 17 12 6  o 18.0962  0.131907  327.616      4.77402  327.872      6.67643  327.348      6.82914  18.0994  0.184438  18.0846  0.188811  
1 1 1 17 12 7  o 7.26866  0.0644922 52.8388      0.937544 54.9208      1.41534  51.2109      1.2515   7.41002  0.095502  7.1555   0.0874499 
1 1 1 17 12 8  o 17.0102  0.129353  289.464      4.40065  290.548      6.24519  288.394      6.20195  17.0386  0.183267  16.9753  0.182675  
1 1 1 17 12 9  o 6.00698  0.0578023 36.0866      0.694435 37.4006      0.990203 34.8149      0.974152 6.11513  0.0809634 5.89994  0.082556  
1 1 1 17 12 10 o 4.68254  0.0610646 21.9278      0.571875 21.5681      0.825213 22.2602      0.793241 4.64378  0.0888515 4.71773  0.0840702 
1 1 1 17 12 11 o 17.691   0.122927  313.054      4.34939  314.58       6.17615  311.554      6.1261   17.7317  0.174156  17.6462  0.173581  
1 1 1 17 12 12 o 5.90205  0.0678545 34.8367      0.800961 36.0836      1.21413  33.8759      1.06578  6.00649  0.101068  5.81992  0.0915628 
1 1 1 17 12 13 f 19.0476  0.130814  362.902      4.98337  365.423      7.16851  360.544      6.93252  19.111   0.187549  18.9833  0.182596  
1 1 1 17 12 14 o 11.6917  0.085826  136.71       2.0069   136.864      2.83637  136.556      2.84     11.6976  0.121238  11.6844  0.121529  
1 1 1 17 12 15 o 3.68436  0.0789808 13.5758      0.581987 12.857       0.801013 14.3795      0.847022 3.58531  0.111708  3.79167  0.111695  
1 1 1 17 12 16 o 13.3821  0.100198  179.114      2.68172  180.528      3.8647   177.8        3.72425  13.4336  0.143845  13.3318  0.139675  
1 1 1 17 12 17 o 11.6198  0.0905748 135.041      2.10491  134.983      3.0408   135.095      2.91668  11.6162  0.130886  11.6212  0.12549   
1 1 1 17 12 18 o 10.3942  0.0878477 108.057      1.82621  107.337      2.52674  108.844      2.64245  10.3587  0.121962  10.431   0.126663  
1 1 1 17 12 19 o 4.25797  0.105115  18.1351      0.89515  17.0275      1.2162   19.4443      1.32232  4.12536  0.147405  4.40838  0.149977  
1 1 1 17 12 20 o 8.88295  0.0910118 78.9247      1.61691  78.3878      2.14344  79.6336      2.46303  8.8519   0.121072  8.92142  0.13804   
1 1 1 17 12 21 o 4.37749  0.119452  19.1711      1.0458   18.9372      1.46245  19.4158      1.49608  4.34974  0.168108  4.40432  0.169843  
1 1 1 17 12 22 o 5.09114  0.103157  25.931       1.05037  25.1646      1.46246  26.7475      1.50955  5.01423  0.145831  5.16952  0.146005  
1 1 1 17 12 23 o 5.25725  0.104039  27.6539      1.09391  27.0975      1.56594  28.1841      1.52878  5.20253  0.150497  5.30607  0.14406   
1 1 1 17 12 24 o 7.28338  0.090813  53.0745      1.32285  54.0083      1.85237  52.1027      1.88978  7.34542  0.12609   7.21439  0.130973  
1 1 1 17 12 25 o 10.7017  0.0986351 114.612      2.11114  113.676      2.9613   115.58       3.0105   10.654   0.138976  10.7427  0.140118  
1 1 1 17 12 26 o 6.41669  0.0928754 41.2103      1.19191  42.8427      1.71526  39.6861      1.65745  6.53973  0.131141  6.29416  0.131665  
1 1 1 17 12 27 o 9.40702  0.0936306 88.5845      1.76157  91.7626      2.59068  85.8516      2.40243  9.5688   0.135371  9.2563   0.129773  
1 1 1 17 12 28 o 4.42172  0.117906  19.5908      1.04269  20.5655      1.50231  18.6849      1.44836  4.52586  0.165969  4.31378  0.167876  
1 1 1 17 12 29 o 3.75435  0.125477  14.1339      0.942168 13.766       1.3646   14.469       1.30242  3.69922  0.184445  3.79401  0.171642  
1 1 1 17 12 30 o 5.43307  0.104817  29.5846      1.13895  28.2181      1.59184  31.0179      1.63029  5.29992  0.150176  5.55722  0.146682  
1 1 1 17 12 31 o 8.47363  0.0989952 71.9732      1.6777   71.8403      2.37147  72.1063      2.37378  8.45574  0.140229  8.47141  0.140105  
1 1 1 17 12 32 o 0.938238 0.344667  0.745307     0.848555 0.222496     1.19476  1.27747      1.20539  0.921275 0.385815  1.16617  0.412505  
1 1 1 17 12 33 o 1.25581  0.347936  1.69472      0.90339  1.67449      1.30264  1.71345      1.25393  1.28002  0.430282  1.28514  0.422161  
1 1 1 17 12 34 o 2.18317  0.2171    4.85079      0.947932 4.95308      1.36971  4.75678      1.31323  2.18532  0.31339   2.14328  0.306359  
1 1 1 17 12 35 o 4.7997   0.12341   23.1952      1.18466  20.9722      1.59247  25.9498      1.7727   4.54819  0.175067  5.05917  0.175197  
1 1 1 17 12 36 o 1.92728  0.256587  3.84839      0.989033 3.60362      1.37547  4.11042      1.42315  1.79305  0.394241  1.9238   0.383471  
1 1 1 17 12 37 o 2.75509  0.187415  7.75616      1.03269  8.54033      1.44429  6.93591      1.47715  2.86581  0.251987  2.56775  0.287634  
1 1 1 17 12 38 o 2.4116   0.213866  6.01458      1.03152  8.40829      1.47588  3.72864      1.44227  2.82886  0.26086   1.79217  0.41093   
1 1 1 17 12 39 o 0.99403  0.378205  0.908288     1.04178  0.698542     1.47404  1.11762      1.47257  1.04028  0.43163   1.11954  0.443468  
1 1 1 17 12 40 o 1.13354  0.379077  1.47323      1.01105  0.79985      1.44269  2.12313      1.41732  1.03262  0.427645  1.31892  0.448823  
1 1 1 17 12 41 f 0.606023 0.289614  -1.03452     0.981007 -0.569702    1.39003  -1.49577     1.38469  0.798    0.368974  0.699949 0.336791  
1 1 1 17 12 42 o 0.5958   0.287317  -1.18214     1.02166  -1.50486     1.43341  -0.848912    1.45655  0.697728 0.337278  0.765213 0.360874  
1 1 1 17 12 43 o 0.956357 0.370755  1.06861      1.01405  0.93919      1.44362  1.19468      1.42475  0.974244 0.416647  1.01711  0.423329  
1 1 1 17 12 44 o 1.05627  0.399612  1.69436      1.15759  1.6958       1.58035  1.6927       1.70041  1.03642  0.43932   1.03426  0.447449  
1 1 1 17 12 45 f 0.828694 0.368471  0.881842     1.23299  1.47446      1.62196  0.070535     1.89777  0.920579 0.415448  0.798472 0.38634   
1 1 1 17 12 46 o 0.654585 0.317739  -0.484982    1.30914  -0.382164    1.77398  -0.607937    1.93994  0.721956 0.355196  0.724332 0.358675  
1 1 1 17 13 0  o 28.5472  0.293573  816.139      16.7574  816.139      16.7574  816.139      16.7574  28.5576  0.207487  ?        ?         
1 1 1 17 13 1  o 8.49716  0.068476  72.2107      1.1637   72.482       1.67027  71.9548      1.62223  8.51254  0.0981063 8.48158  0.0956326 
1 1 1 17 13 2  o 17.7252  0.137285  314.337      4.86681  315.968      6.91399  312.736      6.85185  17.7666  0.194579  17.6755  0.193823  
1 1 1 17 13 3  o 9.07026  0.0757118 82.2818      1.37345  81.0004      1.91556  83.6375      1.9703   8.99869  0.106436  9.14396  0.107738  
1 1 1 17 13 4  f 12.6234  0.0965497 159.389      2.43757  162.095      3.37228  156.428      3.52745  12.7288  0.132467  12.5039  0.141054  
1 1 1 17 13 5  o 3.28091  0.0601066 10.7654      0.39441  10.8266      0.552887 10.7019      0.562804 3.29009  0.0840231 3.27107  0.0860275 
1 1 1 17 13 6  o 14.0497  0.108332  197.45       3.04406  195.719      4.26681  199.246      4.34413  13.9859  0.15254   14.1113  0.153924  
1 1 1 17 13 7  o 9.73383  0.0755593 94.7604      1.47096  95.0675      2.13609  94.4834      2.02858  9.74884  0.109556  9.71897  0.104362  
1 1 1 17 13 8  o 3.96733  0.0578881 15.7409      0.459322 17.0698      0.664541 14.5253      0.635585 4.13124  0.0804286 3.8109   0.0833905 
1 1 1 17 13 9  o 10.7899  0.0797227 116.438      1.7204   115.672      2.36773  117.295      2.50403  10.7537  0.110089  10.8287  0.11562   
1 1 1 17 13 10 o 16.9237  0.121723  286.488      4.12001  287.123      5.90848  285.887      5.74797  16.9399  0.174395  16.9037  0.170021  
1 1 1 17 13 11 o 25.7612  0.174181  663.964      8.97423  668.871      12.6482  658.99       12.7352  25.8498  0.244648  25.6578  0.248174  
1 1 1 17 13 12 o 9.11537  0.0712627 83.0961      1.29917  82.4248      1.82726  83.7824      1.84752  9.07813  0.100641  9.15258  0.100929  
1 1 1 17 13 13 o 6.39831  0.0646777 40.9409      0.827655 40.6298      1.15937  41.2642      1.18192  6.37376  0.0909487 6.42331  0.0920023 
1 1 1 17 13 14 o 18.8868  0.131475  356.805      4.96628  360.402      7.24416  353.615      6.82163  18.979   0.190847  18.7999  0.181427  
1 1 1 17 13 15 o 13.111   0.0957861 171.924      2.5117   170.946      3.57502  172.876      3.52958  13.0726  0.136737  13.1463  0.134242  
1 1 1 17 13 16 o 22.0502  0.156131  486.435      6.88543  484.518      9.69909  488.381      9.7763   22.0016  0.220418  22.0891  0.221293  
1 1 1 17 13 17 f 5.68287  0.0763628 32.2989      0.86792  31.6175      1.24242  32.9483      1.21296  5.62223  0.110492  5.7394   0.105669  
1 1 1 17 13 18 o 17.8832  0.138482  319.943      4.953    325.767      7.00169  314.109      7.00753  18.0415  0.194044  17.7154  0.19778   
1 1 1 17 13 19 o 12.5109  0.103203  156.565      2.58233  157.112      3.73672  156.064      3.57273  12.5309  0.1491    12.4893  0.143031  
1 1 1 17 13 20 o 5.66168  0.0912144 32.0623      1.03285  32.5816      1.43447  31.5032      1.48837  5.70673  0.125682  5.61135  0.132622  
1 1 1 17 13 21 o 4.74602  0.112748  22.5344      1.07021  21.3396      1.47468  23.8638      1.55556  4.61748  0.159684  4.88295  0.159284  
1 1 1 17 13 22 o 3.8804   0.126579  15.0682      0.982355 14.6703      1.34991  15.5161      1.43226  3.82752  0.176343  3.93613  0.181938  
1 1 1 17 13 23 o 11.1662  0.0998313 124.75       2.22946  126.06       3.09802  123.342      3.21088  11.2219  0.138034  11.0997  0.144638  
1 1 1 17 13 24 o 1.25391  0.33909   1.63698      0.870824 2.08283      1.2088   1.15594      1.2556   1.41838  0.405591  1.16762  0.420201  
1 1 1 17 13 25 o 2.76101  0.157731  7.63854      0.870991 8.24262      1.26106  7.08749      1.20442  2.86533  0.220056  2.65666  0.22668   
1 1 1 17 13 26 o 8.34153  0.0921594 69.6437      1.5375   72.0407      2.1939   67.3302      2.15532  8.48021  0.129354  8.19805  0.131453  
1 1 1 17 13 27 o 4.35323  0.112352  18.9807      0.978191 18.5085      1.39737  19.4344      1.36978  4.295    0.162675  4.40175  0.155595  
1 1 1 17 13 28 o 2.38266  0.190049  5.70768      0.905642 6.90548      1.32395  4.65432      1.24156  2.61521  0.253125  2.14386  0.289563  
1 1 1 17 13 29 o 6.46712  0.0948408 41.892       1.22669  39.421       1.7417   44.3242      1.728    6.2676   0.138945  6.64742  0.129975  
1 1 1 17 13 30 o 2.0079   0.21948   4.07241      0.881389 2.66295      1.2696   5.38367      1.22457  1.57561  0.401614  2.30339  0.265819  
1 1 1 17 13 31 o 5.13614  0.110492  26.4618      1.13501  24.1585      1.58332  28.8967      1.62789  4.89895  0.161598  5.35994  0.151858  
1 1 1 17 13 32 f 4.04102  0.121246  16.4023      0.979917 17.6639      1.37882  15.1147      1.39291  4.1858   0.164703  3.86895  0.180011  
1 1 1 17 13 33 o 2.79949  0.181887  7.93083      1.01838  7.31029      1.43542  8.55971      1.44505  2.66896  0.26891   2.89314  0.249737  
1 1 1 17 13 34 o 0.727686 0.317848  -0.122975    0.87417  0.205931     1.24633  -0.441464    1.22644  0.927834 0.391556  0.812219 0.364132  
1 1 1 17 13 35 o 3.52339  0.147446  12.5463      1.03902  12.4642      1.44323  12.6345      1.49703  3.49447  0.206503  3.51603  0.212887  
1 1 1 17 13 36 f 4.43601  0.129248  19.8652      1.14669  21.0216      1.61551  18.691       1.62789  4.54408  0.17776   4.2793   0.190206  
1 1 1 17 13 37 o 1.48842  0.344597  2.46636      1.00639  1.78523      1.40719  3.17948      1.43987  1.28425  0.446529  1.65614  0.430718  
1 1 1 17 13 38 o 1.06846  0.376476  1.18104      1.00315  0.248566     1.42158  2.10589      1.41576  0.957982 0.411695  1.35231  0.448576  
1 1 1 17 13 39 o 0.904387 0.36473   0.572531     1.01735  2.52222      1.47509  -1.19617     1.40496  1.44321  0.45681   0.753911 0.355216  
1 1 1 17 13 40 o 1.91643  0.260671  3.94747      0.999114 3.67002      1.42324  4.21705      1.4029   1.72904  0.416009  1.88208  0.385979  
1 1 1 17 13 41 o 1.43184  0.352133  2.46064      1.00273  2.68394      1.43612  2.24822      1.40069  1.42797  0.450607  1.31835  0.446183  
1 1 1 17 13 42 o 1.13978  0.38174   1.65932      1.0253   1.99465      1.46492  1.33732      1.43553  1.20725  0.451182  1.06883  0.432343  
1 1 1 17 13 43 o 0.608026 0.290246  -0.816858    0.978281 -1.20531     1.37912  -0.423444    1.38791  0.690042 0.333023  0.769582 0.360426  
1 1 1 17 13 44 o 0.877352 0.373034  0.886437     1.14538  -0.498111    1.57479  2.44145      1.66892  0.764616 0.365772  1.15424  0.466465  
1 1 1 17 13 45 o 0.737765 0.341088  0.311946     1.18747  1.83664      1.60459  -1.53415     1.76563  0.958102 0.423846  0.675292 0.335728  
1 1 1 17 13 46 o 0.913908 0.396877  1.79544      1.34734  2.43175      1.81868  1.02137      2.00591  0.940516 0.429627  0.809503 0.393053  
1 1 1 17 14 0  o 6.94959  0.0888521 48.3254      1.23452  48.3254      1.23452  48.3254      1.23452  6.95062  0.0628071 ?        ?         
1 1 1 17 14 1  o 14.3541  0.106674  206.099      3.06239  209.708      4.39763  202.701      4.26708  14.477   0.151883  14.2332  0.149899  
1 1 1 17 14 2  o 16.5836  0.123861  275.125      4.10814  273.644      5.70487  276.719      5.92072  16.5359  0.1725    16.6281  0.178034  
1 1 1 17 14 3  f 9.98041  0.080882  99.6249      1.61447  98.6579      2.2329   100.684      2.33707  9.93107  0.11242   10.0324  0.116476  
1 1 1 17 14 4  o 2.41074  0.0755575 5.8125       0.364299 5.6284       0.497281 6.02574      0.535201 2.3721   0.104819  2.45437  0.10903   
1 1 1 17 14 5  o 10.748   0.0856568 115.54       1.84128  113.793      2.64582  117.181      2.56403  10.6654  0.124038  10.8232  0.118451  
1 1 1 17 14 6  o 12.6752  0.0951185 160.696      2.41129  163.463      3.50517  158.209      3.32234  12.7824  0.13711   12.5755  0.132096  
1 1 1 17 14 7  o 6.4399   0.0577075 41.4756      0.743261 41.7697      1.05411  41.1847      1.04817  6.46244  0.0815569 6.41703  0.0816712 
1 1 1 17 14 8  o 11.5977  0.085776  134.528      1.98961  131.809      2.77474  137.404      2.85441  11.479   0.120862  11.7201  0.121774  
1 1 1 17 14 9  o 16.623   0.118333  276.398      3.9341   278.492      5.60241  274.361      5.5257   16.6836  0.167902  16.5594  0.166845  
1 1 1 17 14 10 o 9.66277  0.0763844 93.3782      1.47617  93.8179      2.07747  92.9299      2.09791  9.68501  0.107252  9.63904  0.108824  
1 1 1 17 14 11 o 15.9254  0.111857  253.665      3.56272  252.8        5.02396  254.541      5.05308  15.8966  0.15802   15.9513  0.158391  
1 1 1 17 14 12 o 37.6219  0.25011   1416.71      18.8192  1432.59      26.8917  1401.46      26.3455  37.8138  0.35558   37.4014  0.3522    
1 1 1 17 14 13 o 3.93367  0.0695387 15.4749      0.547085 14.6548      0.735576 16.4902      0.818428 3.82788  0.0960813 4.0605   0.100779  
1 1 1 17 14 14 o 12.6611  0.0923131 160.324      2.33757  162.42       3.30619  158.228      3.30544  12.7427  0.129728  12.5772  0.131406  
1 1 1 17 14 15 f 44.2088  0.296932  1957.4       26.254   1955.07      37.4816  1959.65      36.7857  44.1463  0.424516  44.2006  0.416122  
1 1 1 17 14 16 o 30.0405  0.21225   903.254      12.7522  900.64       18.1941  905.778      17.8788  29.9828  0.303409  30.0693  0.297293  
1 1 1 17 14 17 o 6.81075  0.0755448 46.3919      1.02903  48.4868      1.49891  44.5244      1.41524  6.96239  0.107644  6.67186  0.10606   
1 1 1 17 14 18 o 11.3077  0.103132  127.896      2.33238  128.034      3.29581  127.758      3.30115  11.3125  0.145672  11.3002  0.146066  
1 1 1 17 14 19 f 5.27779  0.086803  27.8605      0.916255 28.6505      1.27129  27.0066      1.32174  5.35162  0.118776  5.19568  0.127196  
1 1 1 17 14 20 o 11.2687  0.104554  127.025      2.35638  125.933      3.22684  128.274      3.4491   11.2185  0.143818  11.3218  0.152321  
1 1 1 17 14 21 o 10.624   0.0938441 112.907      1.99401  115.979      2.9035   110.165      2.74323  10.7657  0.134849  10.4926  0.130722  
1 1 1 17 14 22 o 15.1401  0.124247  229.387      3.76222  227.239      5.21582  231.718      5.43192  15.0638  0.173125  15.2108  0.178554  
1 1 1 17 14 23 o 10.6207  0.103077  112.866      2.18948  112.088      2.95306  113.817      3.26286  10.5813  0.139542  10.6614  0.153022  
1 1 1 17 14 24 o 7.37448  0.0915965 54.4142      1.35095  54.8419      1.91095  53.9869      1.91013  7.40125  0.129096  7.34327  0.13006   
1 1 1 17 14 25 o 5.22505  0.102253  27.3262      1.06856  28.9097      1.53122  25.823       1.49189  5.37198  0.142519  5.07682  0.146931  
1 1 1 17 14 26 o 8.00964  0.0916634 64.2135      1.46838  63.2492      2.0109   65.315       2.14921  7.94597  0.126536  8.07394  0.133095  
1 1 1 17 14 27 f 2.829    0.147945  8.02654      0.837072 8.00543      1.20978  8.04594      1.15942  2.82077  0.214441  2.82864  0.204944  
1 1 1 17 14 28 o 4.58453  0.10986   21.0575      1.00731  20.8886      1.4655   21.2088      1.38687  4.56113  0.160651  4.59705  0.150843  
1 1 1 17 14 29 o 9.27991  0.0947009 86.2629      1.75763  84.6028      2.51764  87.8412      2.45488  9.18165  0.137102  9.35713  0.131177  
1 1 1 17 14 30 o 2.37844  0.186738  5.69981      0.88829  4.17746      1.27725  7.12591      1.23622  2.02224  0.315801  2.65396  0.232901  
1 1 1 17 14 31 o 3.36875  0.149783  11.4166      1.00917  11.5182      1.45722  11.323       1.39892  3.37301  0.216011  3.34559  0.209069  
1 1 1 17 14 32 o 2.51086  0.174838  6.36431      0.877986 7.04814      1.22639  5.64533      1.25752  2.63261  0.232923  2.34985  0.267574  
1 1 1 17 14 33 o 2.48084  0.195674  6.23937      0.970873 7.67594      1.3883   4.86433      1.35824  2.73885  0.253445  2.1673   0.313348  
1 1 1 17 14 34 o 0.590813 0.278195  -0.911719    0.859129 -2.46305     1.22573  0.58639      1.20453  0.595048 0.293095  0.991072 0.398034  
1 1 1 17 14 35 o 1.91529  0.24771   3.781        0.948872 4.70852      1.31145  2.76202      1.37459  2.11998  0.309307  1.56472  0.427319  
1 1 1 17 14 36 o 3.5241   0.156516  12.5953      1.10316  12.2537      1.53629  12.9589      1.58504  3.45129  0.222568  3.54888  0.223316  
1 1 1 17 14 37 f 2.19518  0.227816  4.98362      1.00019  4.77528      1.41903  5.18932      1.40998  2.10767  0.336636  2.20466  0.319773  
1 1 1 17 14 38 o 1.04568  0.372376  1.11215      0.983753 -0.416964    1.36891  2.74526      1.4147   0.841994 0.380734  1.5224   0.4399    
1 1 1 17 14 39 o 0.851673 0.354475  0.36093      0.998983 -0.878204    1.43183  1.53624      1.39447  0.796898 0.370763  1.19565  0.441517  
1 1 1 17 14 40 o 2.00974  0.251967  4.33315      1.01278  4.24244      1.44008  4.42192      1.42462  1.87349  0.396499  1.92543  0.383547  
1 1 1 17 14 41 o 0.493362 0.2456    -2.16627     0.960328 -1.16802     1.364    -3.14745     1.35229  0.72062  0.343691  0.568689 0.284259  
1 1 1 17 14 42 o 0.860687 0.35771   0.612296     1.01502  2.76017      1.44746  -1.46576     1.42374  1.38196  0.453571  0.691389 0.334546  
1 1 1 17 14 43 o 1.21211  0.387454  2.05148      1.05926  3.16659      1.5045   0.955385     1.49161  1.41517  0.46242   0.960808 0.41742   
1 1 1 17 14 44 o 0.97615  0.386969  1.37308      1.12206  2.66199      1.56898  0.023786     1.6053   1.20698  0.462705  0.815736 0.38304   
1 1 1 17 14 45 o 0.794975 0.356004  0.776963     1.1694   0.513166     1.63586  1.05265      1.67231  0.796811 0.378584  0.850824 0.39772   
1 1 1 17 14 46 o 0.700751 0.335806  0.320645     1.34206  1.40361      1.86968  -0.83042     1.92757  0.801381 0.387002  0.67306  0.33653   
1 1 1 17 15 0  o 15.5886  0.163478  243.166      5.09553  243.166      5.09553  243.166      5.09553  15.5912  0.115563  ?        ?         
1 1 1 17 15 1  o 15.0646  0.106467  227.007      3.20778  230.904      4.60938  223.346      4.46693  15.1911  0.151713  14.9406  0.14949   
1 1 1 17 15 2  o 18.5688  0.133106  344.952      4.94326  343.984      6.96895  345.932      7.01291  18.5386  0.187958  18.591   0.18861   
1 1 1 17 15 3  o 11.9323  0.0931442 142.411      2.22286  141.289      3.11903  143.569      3.16875  11.884   0.131229  11.9794  0.132258  
1 1 1 17 15 4  o 12.0936  0.0961524 146.288      2.32566  147.158      3.3544   145.482      3.22724  12.128   0.138291  12.059   0.133811  
1 1 1 17 15 5  o 5.93437  0.0641209 35.2202      0.761035 35.0369      1.07607  35.4037      1.07646  5.91861  0.0909055 5.94952  0.0904666 
1 1 1 17 15 6  o 8.82227  0.0727159 77.8421      1.28304  80.1576      1.90121  75.9056      1.73865  8.95188  0.106191  8.71136  0.099792  
1 1 1 17 15 7  o 14.8196  0.108383  219.678      3.2124   223.796      4.61872  215.818      4.47093  14.9559  0.154411  14.687   0.152207  
1 1 1 17 15 8  o 13.3277  0.0957258 177.66       2.55161  176.02       3.61957  179.279      3.59758  13.2648  0.136435  13.3871  0.134367  
1 1 1 17 15 9  o 23.7554  0.166121  564.589      7.89257  567.294      11.2107  561.931      11.1135  23.8063  0.235457  23.6936  0.234525  
1 1 1 17 15 10 o 23.8911  0.160048  571.014      7.64744  575.571      10.8963  566.59       10.7357  23.9812  0.227185  23.7935  0.225601  
1 1 1 17 15 11 o 15.6001  0.107569  243.403      3.35616  244.799      4.77248  242.038      4.72059  15.6433  0.15254   15.5549  0.15174   
1 1 1 17 15 12 o 18.2834  0.124432  334.359      4.55007  334.001      6.42862  334.719      6.44093  18.2714  0.17592   18.291   0.176068  
1 1 1 17 15 13 o 8.22354  0.0683665 67.6313      1.12443  69.2356      1.61286  66.1143      1.56843  8.32019  0.0969248 8.13049  0.0964537 
1 1 1 17 15 14 o 22.795   0.153667  519.811      7.00568  518.515      9.88665  521.119      9.92854  22.7621  0.217174  22.8191  0.217549  
1 1 1 17 15 15 o 10.4004  0.0872386 108.184      1.81464  110.398      2.6049   106.097      2.52933  10.5055  0.123977  10.2989  0.122797  
1 1 1 17 15 16 o 17.4766  0.126967  305.533      4.43792  306.376      6.29009  304.697      6.26233  17.4977  0.17974   17.4498  0.179439  
1 1 1 17 15 17 o 23.2865  0.159676  542.56       7.43658  542.657      10.6222  542.466      10.4147  23.2818  0.228122  23.2782  0.223701  
1 1 1 17 15 18 o 6.94191  0.0937435 48.2003      1.30152  48.2587      1.82682  48.14        1.85474  6.94539  0.131513  6.9368   0.133689  
1 1 1 17 15 19 o 7.89601  0.0803283 62.358       1.26855  61.851       1.7877   62.8723      1.80036  7.86313  0.113676  7.92779  0.113547  
1 1 1 17 15 20 o 12.0637  0.110291  145.589      2.66103  147.853      3.75935  143.315      3.76719  12.1549  0.154643  11.9667  0.157403  
1 1 1 17 15 21 o 11.4098  0.0981565 130.235      2.2399   128.579      3.14063  131.949      3.19547  11.3348  0.138539  11.4824  0.139147  
1 1 1 17 15 22 o 13.7436  0.113436  189.007      3.11802  193.792      4.45007  184.392      4.37012  13.912   0.159936  13.5703  0.161018  
1 1 1 17 15 23 o 12.6963  0.110156  161.312      2.79713  161.768      3.9078   160.834      4.00549  12.7098  0.153732  12.6725  0.158039  
1 1 1 17 15 24 o 4.47701  0.109793  20.0613      0.983093 21.7905      1.40925  18.422       1.3721   4.6641   0.151074  4.28804  0.159992  
1 1 1 17 15 25 o 6.6105   0.0950105 43.7365      1.25613  43.7395      1.7669   43.7335      1.78614  6.60796  0.133695  6.60738  0.135163  
1 1 1 17 15 26 o 1.09003  0.334126  1.20594      0.797276 1.53736      1.10754  0.849475     1.14862  1.24025  0.39616   1.05976  0.39883   
1 1 1 17 15 27 o 2.68959  0.154214  7.25781      0.829543 7.35343      1.16285  7.15873      1.18373  2.70301  0.215103  2.66643  0.221968  
1 1 1 17 15 28 o 4.74993  0.105983  22.6034      1.00683  20.8855      1.41632  24.3586      1.43155  4.56096  0.155265  4.92683  0.145281  
1 1 1 17 15 29 o 5.67582  0.0992391 32.2776      1.12653  32.0022      1.62766  32.5308      1.56075  5.6455   0.144155  5.69305  0.137075  
1 1 1 17 15 30 o 6.8491   0.0996298 47.0159      1.36475  47.8094      1.91907  46.204       1.94121  6.89936  0.139076  6.78166  0.143122  
1 1 1 17 15 31 o 3.92578  0.130784  15.4853      1.02686  16.1195      1.48341  14.9018      1.42286  3.99592  0.185616  3.84211  0.185167  
1 1 1 17 15 32 o 3.00192  0.146776  9.07388      0.881223 9.79403      1.26331  8.39138      1.22984  3.10872  0.203188  2.87546  0.213851  
1 1 1 17 15 33 o 1.80936  0.259414  3.35264      0.938745 3.34261      1.33059  3.36259      1.3246   1.74919  0.390355  1.75519  0.387706  
1 1 1 17 15 34 o 1.44678  0.310762  2.25205      0.873335 2.08684      1.2699   2.4003       1.20298  1.38483  0.421126  1.4766   0.398204  
1 1 1 17 15 35 o 0.8357   0.340531  0.350091     0.898362 0.998499     1.26348  -0.312881    1.27759  1.08831  0.415798  0.843075 0.374964  
1 1 1 17 15 36 o 0.749187 0.330111  -0.154921    0.9603   0.338296     1.34024  -0.675285    1.37663  0.964975 0.406577  0.821302 0.374671  
1 1 1 17 15 37 o 1.43072  0.339933  2.28765      0.95961  1.02952      1.34967  3.57384      1.36464  1.09548  0.427103  1.76899  0.395699  
1 1 1 17 15 38 o 1.95239  0.252744  3.99821      0.986912 3.63912      1.38383  4.36991      1.40789  1.77357  0.399692  1.96519  0.371739  
1 1 1 17 15 39 o 2.334    0.222475  5.68897      1.03851  6.55027      1.48291  4.85995      1.45485  2.46103  0.301278  2.094    0.347386  
1 1 1 17 15 40 o 1.91376  0.267416  3.97395      1.02354  3.50443      1.42691  4.4716       1.46901  1.6709   0.425689  1.92182  0.395738  
1 1 1 17 15 41 o 0.674385 0.310499  -0.441065    0.971    -3.19892     1.35338  2.48449      1.39392  0.564781 0.28239   1.36694  0.445103  
1 1 1 17 15 42 o 0.674342 0.312928  -0.437176    1.01153  -1.13323     1.42761  0.26458      1.43345  0.720096 0.345382  0.879563 0.394012  
1 1 1 17 15 43 o 0.713614 0.328716  -0.183836    1.08983  -0.901664    1.49244  0.63621      1.59517  0.733114 0.351992  0.916218 0.412821  
1 1 1 17 15 44 o 0.783073 0.348746  0.41265      1.10851  0.591875     1.54134  0.220634     1.59539  0.865987 0.395553  0.829669 0.388078  
1 1 1 17 15 45 o 0.588618 0.288652  -0.984495    1.15553  -0.200432    1.59504  -1.8505      1.67632  0.724253 0.351294  0.632904 0.316375  
1 1 1 17 15 46 o 0.693847 0.335643  0.330398     1.42938  1.11195      2.04093  -0.422       2.00251  0.760653 0.374612  0.682209 0.341104  
1 1 1 17 16 0  o 25.2168  0.260647  636.615      13.1422  636.615      13.1422  636.615      13.1422  25.224   0.184231  ?        ?         
1 1 1 17 16 1  o 23.5556  0.170091  555.253      8.01318  559.379      11.5521  551.426      11.1247  23.6339  0.244396  23.4663  0.237035  
1 1 1 17 16 2  o 13.7035  0.0999581 187.831      2.73955  186.205      3.84035  189.516      3.90919  13.6424  0.14075   13.7631  0.142017  
1 1 1 17 16 3  o 6.13266  0.061161  37.6129      0.750159 37.8959      1.10761  37.373       1.01962  6.15536  0.089971  6.11283  0.0833997 
1 1 1 17 16 4  o 7.59415  0.0689534 57.6775      1.04728  57.455       1.49682  57.8909      1.46584  7.57903  0.0987475 7.60777  0.0963381 
1 1 1 17 16 5  o 18.0902  0.140999  327.407      5.10141  327.578      7.21134  327.235      7.21763  18.0907  0.199311  18.0812  0.19959   
1 1 1 17 16 6  o 5.64335  0.0659396 31.8503      0.74424  32.9221      1.07404  30.8604      1.03224  5.73723  0.0936022 5.55469  0.0929158 
1 1 1 17 16 7  o 35.0866  0.251816  1232.57      17.6707  1228.2       25.2078  1236.8       24.7782  35.0012  0.360099  35.1253  0.352712  
1 1 1 17 16 8  o 14.7044  0.103351  216.26       3.03945  218.543      4.33983  214.063      4.25818  14.7804  0.146811  14.6281  0.145548  
1 1 1 17 16 9  o 18.6949  0.131816  349.596      4.92857  351.287      7.0022   347.936      6.93833  18.7373  0.186852  18.6478  0.186036  
1 1 1 17 16 10 o 12.1688  0.0874571 148.097      2.1285   149.955      3.07359  146.385      2.95049  12.2442  0.125512  12.0976  0.121945  
1 1 1 17 16 11 o 12.3042  0.0889203 151.411      2.18818  152.098      3.0671   150.699      3.12277  12.3313  0.124362  12.2744  0.127206  
1 1 1 17 16 12 o 18.4303  0.125471  339.756      4.62495  335.551      6.46666  344.158      6.61729  18.3137  0.176552  18.547   0.178392  
1 1 1 17 16 13 o 5.46076  0.0651704 29.8218      0.711759 30.6072      0.997148 29.0059      1.01628  5.53203  0.090125  5.38534  0.0943565 
1 1 1 17 16 14 o 27.2132  0.182121  740.982      9.91216  739.922      13.9964  742.049      14.0395  27.1857  0.257423  27.2247  0.257845  
1 1 1 17 16 15 o 14.9277  0.107797  222.888      3.21832  225.386      4.58946  220.471      4.51427  15.0093  0.152887  14.8448  0.152049  
1 1 1 17 16 16 o 15.689   0.113188  246.212      3.55163  245.15       5.00457  247.291      5.04114  15.653   0.15986   15.7212  0.16033   
1 1 1 17 16 17 o 4.29425  0.0926957 18.4441      0.796116 17.7508      1.08287  19.2596      1.17445  4.21239  0.128534  4.38769  0.133835  
1 1 1 17 16 18 o 8.32429  0.088526  69.3077      1.47383  67.8595      2.00451  71.0118      2.17448  8.23612  0.12169   8.42505  0.129048  
1 1 1 17 16 19 o 10.6924  0.0907131 114.355      1.93988  112.947      2.72368  115.805      2.76357  10.6251  0.128172  10.7587  0.128435  
1 1 1 17 16 20 o 16.1001  0.13499   259.376      4.3467   263.554      6.14634  255.196      6.14799  16.2243  0.189417  15.9647  0.19255   
1 1 1 17 16 21 o 6.77203  0.0961688 45.8791      1.30252  47.215       1.87172  44.6247      1.81372  6.86846  0.136254  6.67742  0.13581   
1 1 1 17 16 22 o 10.0187  0.0937212 100.421      1.87793  100.073      2.6565   100.769      2.65508  9.99895  0.132839  10.0337  0.132308  
1 1 1 17 16 23 o 3.53505  0.136339  12.5113      0.963928 13.1739      1.3514   11.825       1.37532  3.62555  0.186372  3.43433  0.20023   
1 1 1 17 16 24 o 4.30092  0.107094  18.5145      0.921203 19.2278      1.29858  17.792       1.30702  4.38115  0.1482    4.21404  0.155079  
1 1 1 17 16 25 o 4.99247  0.103035  24.9521      1.0288   24.6495      1.4266   25.2801      1.48505  4.95956  0.143823  5.02229  0.147846  
1 1 1 17 16 26 o 6.99123  0.0891403 48.924       1.2464   49.3322      1.75013  48.504       1.7755   7.0171   0.124705  6.95765  0.127593  
1 1 1 17 16 27 o 2.11292  0.190743  4.48793      0.806049 4.92383      1.12879  4.03439      1.1514   2.2085   0.255555  1.99653  0.28835   
1 1 1 17 16 28 o 2.86233  0.151727  8.22564      0.868582 8.09101      1.23963  8.35548      1.2174   2.83265  0.21881   2.87937  0.2114    
1 1 1 17 16 29 o 3.89729  0.127178  15.2388      0.991298 15.7239      1.39545  14.7446      1.40845  3.9529   0.17651   3.82679  0.184025  
1 1 1 17 16 30 o 4.84561  0.106396  23.5432      1.03111  24.1924      1.45733  22.8924      1.45907  4.90572  0.148534  4.77135  0.152899  
1 1 1 17 16 31 o 4.01588  0.123008  16.1976      0.987969 16.6387      1.44286  15.8083      1.35562  4.06076  0.177659  3.95941  0.171189  
1 1 1 17 16 32 o 3.29751  0.140172  10.9453      0.924434 9.90255      1.30315  12.0016      1.31158  3.12384  0.208582  3.44318  0.190461  
1 1 1 17 16 33 o 0.80173  0.329958  0.250546     0.851871 0.831007     1.21755  -0.306089    1.1923   1.0512   0.406518  0.822304 0.364363  
1 1 1 17 16 34 o 1.76023  0.260993  3.18616      0.918815 3.08166      1.30915  3.28759      1.28986  1.66988  0.397231  1.73003  0.382961  
1 1 1 17 16 35 o 1.78813  0.255062  3.3058       0.912168 2.90935      1.26694  3.73249      1.31437  1.61094  0.39559   1.83984  0.370206  
1 1 1 17 16 36 o 3.1759   0.170842  10.2639      1.08516  12.5641      1.58869  8.25204      1.48577  3.49025  0.227589  2.81384  0.264011  
1 1 1 17 16 37 o 2.26912  0.218041  5.32456      0.989524 2.79022      1.40079  7.84884      1.39801  1.54168  0.435268  2.73844  0.255256  
1 1 1 17 16 38 o 1.32058  0.358061  1.98397      0.96941  2.73416      1.36739  1.22592      1.37454  1.52032  0.430308  1.13333  0.433487  
1 1 1 17 16 39 o 1.0094   0.369022  1.03771      0.971704 0.954522     1.38026  1.11945      1.36821  1.0597   0.42588   1.09142  0.429     
1 1 1 17 16 40 o 0.715277 0.32465   -0.29769     1.00523  -1.64296     1.40842  1.09915      1.43517  0.695952 0.33604   1.07069  0.432621  
1 1 1 17 16 41 o 1.35093  0.37307   2.28372      1.0406   1.26832      1.49896  3.22831      1.44575  1.0835   0.440418  1.54888  0.443778  
1 1 1 17 16 42 o 0.812764 0.350648  0.377484     1.03876  1.29634      1.46245  -0.558099    1.4757   1.04732  0.431898  0.786468 0.368927  
1 1 1 17 16 43 o 1.01691  0.386308  1.44072      1.08549  1.12451      1.55123  1.74412      1.5195   0.969259 0.423387  1.07056  0.440651  
1 1 1 17 16 44 o 0.862769 0.365126  0.903992     1.08878  1.48108      1.51486  0.287325     1.56594  0.978054 0.42272   0.826065 0.385648  
1 1 1 17 16 45 o 0.690909 0.325574  0.0312782    1.181    -0.482918    1.66569  0.551068     1.67472  0.712692 0.348729  0.793944 0.379177  
1 1 1 17 17 0  o 25.8815  0.379047  671.411      19.6111  671.411      19.6111  671.411      19.6111  25.8964  0.267807  ?        ?         
1 1 1 17 17 1  f 3.19613  0.0811802 10.2358      0.518169 10.2358      0.518169 10.2358      0.518169 3.19774  0.0573321 ?        ?         
1 1 1 17 17 2  o 22.004   0.217152  484.582      9.55432  484.582      9.55432  484.582      9.55432  22.0085  0.153501  ?        ?         
1 1 1 17 17 3  o 3.00715  0.106644  9.07818      0.639561 9.07818      0.639561 9.07818      0.639561 3.01009  0.0752266 ?        ?         
1 1 1 17 17 4  o 4.38746  0.091826  19.2769      0.80497  19.2769      0.80497  19.2769      0.80497  4.38901  0.0648758 ?        ?         
1 1 1 17 17 5  o 6.04286  0.09386   36.5459      1.13375  36.5459      1.13375  36.5459      1.13375  6.04409  0.0663375 ?        ?         
1 1 1 17 17 6  o 7.68954  0.103045  59.1668      1.5841   59.1668      1.5841   59.1668      1.5841   7.69076  0.0728376 ?        ?         
1 1 1 17 17 7  o 21.7564  0.215358  473.672      9.36874  473.672      9.36874  473.672      9.36874  21.7602  0.152238  ?        ?         
1 1 1 17 17 8  o 11.0175  0.114377  121.438      2.5197   121.438      2.5197   121.438      2.5197   11.0187  0.0808585 ?        ?         
1 1 1 17 17 9  f 13.5323  0.138971  183.207      3.7603   183.207      3.7603   183.207      3.7603   13.5338  0.0982445 ?        ?         
1 1 1 17 17 10 o 2.28586  0.125174  5.2726       0.568339 5.2726       0.568339 5.2726       0.568339 2.29109  0.0879989 ?        ?         
1 1 1 17 17 11 o 6.45495  0.0861264 41.6909      1.11144  41.6909      1.11144  41.6909      1.11144  6.4559   0.0608794 ?        ?         
1 1 1 17 17 12 o 28.3046  0.267393  801.796      15.1339  801.796      15.1339  801.796      15.1339  28.3102  0.189019  ?        ?         
1 1 1 17 17 13 o 3.35134  0.117866  11.2743      0.787803 11.2743      0.787803 11.2743      0.787803 3.35454  0.0831461 ?        ?         
1 1 1 17 17 14 o 14.5194  0.145035  210.916      4.21069  210.916      4.21069  210.916      4.21069  14.5211  0.102531  ?        ?         
1 1 1 17 17 15 o 12.0198  0.129317  144.551      3.10794  144.551      3.10794  144.551      3.10794  12.0214  0.0914175 ?        ?         
1 1 1 17 17 16 o 8.62222  0.111531  74.39        1.92256  74.39        1.92256  74.39        1.92256  8.62359  0.0788368 ?        ?         
1 1 1 17 17 17 o 7.50092  0.124024  56.3201      1.85944  56.3201      1.85944  56.3201      1.85944  7.5028   0.0876494 ?        ?         
1 1 1 17 17 18 o 12.3142  0.196926  151.835      4.84717  151.835      4.84717  151.835      4.84717  12.3181  0.139163  ?        ?         
1 1 1 17 17 19 o 5.35601  0.144934  28.7591      1.54997  28.7591      1.54997  28.7591      1.54997  5.35939  0.102334  ?        ?         
1 1 1 17 17 20 o 3.00236  0.199655  9.13983      1.18671  9.13983      1.18671  9.13983      1.18671  3.01295  0.139941  ?        ?         
1 1 1 17 17 21 o 7.39893  0.143355  54.8322      2.11954  54.8322      2.11954  54.8322      2.11954  7.4019   0.101283  ?        ?         
1 1 1 17 17 22 o 6.83991  0.127737  46.8549      1.74604  46.8549      1.74604  46.8549      1.74604  6.84249  0.0902539 ?        ?         
1 1 1 17 17 23 o 5.92003  0.133223  35.121       1.57557  35.121       1.57557  35.121       1.57557  5.92316  0.094099  ?        ?         
1 1 1 17 17 24 o 0.707588 0.428318  0.515208     1.09243  0.515208     1.09243  0.515208     1.09243  0.640582 0.372748  ?        ?         
1 1 1 17 17 25 o 9.3404   0.129458  87.3721      2.41734  87.3721      2.41734  87.3721      2.41734  9.34386  0.091487  ?        ?         
1 1 1 17 17 26 o 11.0341  0.137583  121.956      3.03515  121.956      3.03515  121.956      3.03515  11.0387  0.097228  ?        ?         
1 1 1 17 17 27 o 1.06831  0.484114  1.68201      1.10771  1.68201      1.10771  1.68201      1.10771  1.13635  0.385626  ?        ?         
1 1 1 17 17 28 o 2.73311  0.216738  7.64094      1.1676   7.64094      1.1676   7.64094      1.1676   2.749    0.151213  ?        ?         
1 1 1 17 17 29 o 3.56902  0.180616  12.8785      1.28171  12.8785      1.28171  12.8785      1.28171  3.57894  0.126979  ?        ?         
1 1 1 17 17 30 o 0.918846 0.488502  1.26928      1.19956  1.26928      1.19956  1.26928      1.19956  0.924609 0.423377  ?        ?         
1 1 1 17 17 31 o 2.34625  0.274996  5.78668      1.25019  5.78668      1.25019  5.78668      1.25019  2.37732  0.18866   ?        ?         
1 1 1 17 17 32 o 0.691422 0.432469  0.382924     1.19639  0.382924     1.19639  0.382924     1.19639  0.612352 0.373615  ?        ?         
1 1 1 17 17 33 o 3.06484  0.213979  9.60995      1.29694  9.60995      1.29694  9.60995      1.29694  3.08267  0.149549  ?        ?         
1 1 1 17 17 34 o 1.0801   0.51795   1.81341      1.27956  1.81341      1.27956  1.81341      1.27956  1.14732  0.425985  ?        ?         
1 1 1 17 17 35 o 0.704656 0.443703  0.391461     1.28564  0.391461     1.28564  0.391461     1.28564  0.624207 0.384026  ?        ?         
1 1 1 17 17 36 o 2.69017  0.279406  7.63485      1.46617  7.63485      1.46617  7.63485      1.46617  2.72774  0.192228  ?        ?         
1 1 1 17 17 37 o 4.32103  0.186739  19.0164      1.60695  19.0164      1.60695  19.0164      1.60695  4.34107  0.131147  ?        ?         
1 1 1 17 17 38 o 1.5892   0.494471  3.35342      1.37321  3.35342      1.37321  3.35342      1.37321  1.72655  0.311563  ?        ?         
1 1 1 17 17 39 o 1.15136  0.537111  2.18339      1.36806  2.18339      1.36806  2.18339      1.36806  1.26351  0.428449  ?        ?         
1 1 1 17 17 40 o 0.600511 0.406279  -0.270863    1.38426  -0.270863    1.38426  -0.270863    1.38426  0.502474 0.34057   ?        ?         
1 1 1 17 17 41 o 0.758976 0.478136  0.753078     1.49512  0.753078     1.49512  0.753078     1.49512  0.708064 0.425104  ?        ?         
1 1 1 17 17 42 o 0.992713 0.531868  1.91169      1.43054  1.91169      1.43054  1.91169      1.43054  1.08303  0.461675  ?        ?         
1 1 1 17 17 43 o 0.741066 0.475019  0.922189     1.5354   0.922189     1.5354   0.922189     1.5354   0.71604  0.430388  ?        ?         
1 1 1 17 17 44 o 0.686283 0.453401  0.759596     1.54525  0.759596     1.54525  0.759596     1.54525  0.656808 0.411786  ?        ?         
1 1 1 17 17 45 o 0.572458 0.401273  -0.161722    1.63396  -0.161722    1.63396  -0.161722    1.63396  0.505573 0.351044  ?        ?         
1 1 1 18 0  0  o 7.82558  0.121566  61.2946      1.90161  61.2946      1.90161  61.2946      1.90161  7.82733  0.0859172 ?        ?         
1 1 1 18 0  1  o 16.1787  0.156262  261.901      5.05518  261.901      5.05518  261.901      5.05518  16.181   0.110467  ?        ?         
1 1 1 18 0  2  o 10.4677  0.101587  109.618      2.12632  109.618      2.12632  109.618      2.12632  10.4688  0.0718181 ?        ?         
1 1 1 18 0  3  o 24.1496  0.226448  583.718      10.9351  583.718      10.9351  583.718      10.9351  24.1549  0.160072  ?        ?         
1 1 1 18 0  4  o 28.5693  0.267735  817.141      15.295   817.141      15.295   817.141      15.295   28.5775  0.189245  ?        ?         
1 1 1 18 0  5  o 18.4343  0.18228   340.066      6.71894  340.066      6.71894  340.066      6.71894  18.4376  0.128854  ?        ?         
1 1 1 18 0  6  o 15.9441  0.175208  254.408      5.58555  254.408      5.58555  254.408      5.58555  15.9471  0.12385   ?        ?         
1 1 1 18 0  7  o 11.6379  0.124977  135.515      2.90816  135.515      2.90816  135.515      2.90816  11.6395  0.0883481 ?        ?         
1 1 1 18 0  8  o 1.68857  0.135496  2.90666      0.450811 2.90666      0.450811 2.90666      0.450811 1.69693  0.0945984 ?        ?         
1 1 1 18 0  9  o 5.26696  0.0857916 27.7658      0.903182 27.7658      0.903182 27.7658      0.903182 5.26815  0.060632  ?        ?         
1 1 1 18 0  10 o 8.46368  0.129444  71.7006      2.18999  71.7006      2.18999  71.7006      2.18999  8.46565  0.0914854 ?        ?         
1 1 1 18 0  11 o 12.3151  0.141849  151.761      3.49271  151.761      3.49271  151.761      3.49271  12.3171  0.100271  ?        ?         
1 1 1 18 0  12 o 6.18453  0.0882126 38.2754      1.09061  38.2754      1.09061  38.2754      1.09061  6.18562  0.0623504 ?        ?         
1 1 1 18 0  13 o 0.513496 0.32136   0.175309     0.66177  0.175309     0.66177  0.175309     0.66177  0.44864  0.275764  ?        ?         
1 1 1 18 0  14 o 28.2337  0.278539  797.993      15.7249  797.993      15.7249  797.993      15.7249  28.2412  0.196883  ?        ?         
1 1 1 18 0  15 o 5.04765  0.100064  25.511       1.00928  25.511       1.00928  25.511       1.00928  5.04925  0.0707022 ?        ?         
1 1 1 18 0  16 o 13.2851  0.144618  176.585      3.84153  176.585      3.84153  176.585      3.84153  13.2868  0.102234  ?        ?         
1 1 1 18 0  17 o 16.4338  0.162167  270.203      5.32889  270.203      5.32889  270.203      5.32889  16.4358  0.114643  ?        ?         
1 1 1 18 0  18 o 2.7722   0.157423  7.76063      0.866377 7.76063      0.866377 7.76063      0.866377 2.77907  0.110619  ?        ?         
1 1 1 18 0  19 o 7.43664  0.119233  55.3534      1.77235  55.3534      1.77235  55.3534      1.77235  7.43831  0.0842667 ?        ?         
1 1 1 18 0  20 f 0.595462 0.380984  0.116673     0.983725 0.116673     0.983725 0.116673     0.983725 0.509457 0.32328   ?        ?         
1 1 1 18 0  21 o 3.27756  0.187211  10.8513      1.21803  10.8513      1.21803  10.8513      1.21803  3.28594  0.131534  ?        ?         
1 1 1 18 0  22 o 7.71321  0.13307   59.5605      2.05141  59.5605      2.05141  59.5605      2.05141  7.71538  0.0940365 ?        ?         
1 1 1 18 0  23 o 6.78662  0.139127  46.13        1.88662  46.13        1.88662  46.13        1.88662  6.78927  0.0982927 ?        ?         
1 1 1 18 0  24 o 7.28824  0.147189  53.2063      2.14352  53.2063      2.14352  53.2063      2.14352  7.29125  0.103987  ?        ?         
1 1 1 18 0  25 o 3.3094   0.210759  11.097       1.382    11.097       1.382    11.097       1.382    3.32047  0.147818  ?        ?         
1 1 1 18 0  26 o 5.41933  0.166614  29.4777      1.80201  29.4777      1.80201  29.4777      1.80201  5.42434  0.117578  ?        ?         
1 1 1 18 0  27 o 8.26533  0.134059  68.4178      2.21477  68.4178      2.21477  68.4178      2.21477  8.2684   0.0947308 ?        ?         
1 1 1 18 0  28 o 10.3895  0.150211  108.138      3.11976  108.138      3.11976  108.138      3.11976  10.3942  0.106142  ?        ?         
1 1 1 18 0  29 o 5.26985  0.152101  27.8813      1.60008  27.8813      1.60008  27.8813      1.60008  5.27507  0.107343  ?        ?         
1 1 1 18 0  30 o 2.66233  0.252971  7.31131      1.31905  7.31131      1.31905  7.31131      1.31905  2.68376  0.17549   ?        ?         
1 1 1 18 0  31 o 1.97008  0.350433  4.26758      1.25017  4.26758      1.25017  4.26758      1.25017  2.02481  0.224594  ?        ?         
1 1 1 18 0  32 f 2.93395  0.225233  8.80563      1.30373  8.80563      1.30373  8.80563      1.30373  2.95105  0.157214  ?        ?         
1 1 1 18 0  33 o 2.56955  0.278926  6.89947      1.39485  6.89947      1.39485  6.89947      1.39485  2.59931  0.192137  ?        ?         
1 1 1 18 0  34 o 0.55635  0.384992  -0.834563    1.36815  -0.834563    1.36815  -0.834563    1.36815  0.4405   0.308772  ?        ?         
1 1 1 18 0  35 o 2.29825  0.330552  5.6922       1.4278   5.6922       1.4278   5.6922       1.4278   2.3458   0.219619  ?        ?         
1 1 1 18 0  36 o 2.21576  0.364675  5.40303      1.48399  5.40303      1.48399  5.40303      1.48399  2.27629  0.236326  ?        ?         
1 1 1 18 0  37 o 1.12827  0.550037  2.01465      1.44896  2.01465      1.44896  2.01465      1.44896  1.19789  0.456447  ?        ?         
1 1 1 18 0  38 o 1.10689  0.546595  1.96619      1.43819  1.96619      1.43819  1.96619      1.43819  1.17434  0.456542  ?        ?         
1 1 1 18 0  39 o 0.630312 0.424477  -0.338351    1.48181  -0.338351    1.48181  -0.338351    1.48181  0.521693 0.353144  ?        ?         
1 1 1 18 0  40 o 0.738045 0.473532  0.38233      1.52919  0.38233      1.52919  0.38233      1.52919  0.652859 0.40944   ?        ?         
1 1 1 18 0  41 o 2.21418  0.383488  5.61905      1.54546  5.61905      1.54546  5.61905      1.54546  2.30121  0.243691  ?        ?         
1 1 1 18 0  42 o 1.15069  0.555613  2.29201      1.4749   2.29201      1.4749   2.29201      1.4749   1.26876  0.451892  ?        ?         
1 1 1 18 0  43 o 0.620576 0.422415  -0.26469     1.52793  -0.26469     1.52793  -0.26469     1.52793  0.52402  0.356141  ?        ?         
1 1 1 18 0  44 o 0.623965 0.422617  -0.0902619   1.50359  -0.0902619   1.50359  -0.0902619   1.50359  0.537082 0.361036  ?        ?         
1 1 1 18 0  45 o 0.739317 0.487745  0.811389     1.77981  0.811389     1.77981  0.811389     1.77981  0.700379 0.440215  ?        ?         
1 1 1 18 0  46 o 0.495488 0.36081   -1.86315     1.82026  -1.86315     1.82026  -1.86315     1.82026  0.402814 0.295393  ?        ?         
1 1 1 18 0  47 o 0.686604 0.487027  0.621971     2.57692  0.621971     2.57692  0.621971     2.57692  0.652871 0.449292  ?        ?         
1 1 1 18 1  0  o 15.5764  0.147431  242.753      4.59195  242.753      4.59195  242.753      4.59195  15.5785  0.104225  ?        ?         
1 1 1 18 1  1  o 5.53668  0.0451579 30.6563      0.50005  30.709       0.694631 30.5996      0.720428 5.54131  0.0626775 5.53141  0.0651215 
1 1 1 18 1  2  o 9.27607  0.0666305 86.0548      1.23614  86.4782      1.69921  85.5787      1.80161  9.29842  0.0913709 9.2498   0.0973865 
1 1 1 18 1  3  o 15.1865  0.101804  230.687      3.09208  230.539      4.36939  230.835      4.37634  15.1796  0.143923  15.1894  0.144059  
1 1 1 18 1  4  o 14.8501  0.102115  220.584      3.03286  220.805      4.29339  220.364      4.28484  14.8556  0.144504  14.8408  0.14436   
1 1 1 18 1  5  o 12.3308  0.0934227 152.081      2.30395  153.487      3.2436   150.65       3.27314  12.3863  0.130935  12.2712  0.133367  
1 1 1 18 1  6  o 17.6176  0.129545  310.517      4.56455  311.628      6.47847  309.422      6.43229  17.6452  0.183576  17.5827  0.182915  
1 1 1 18 1  7  o 17.4368  0.11852   304.157      4.13322  309.766      5.88321  298.691      5.80803  17.5936  0.167197  17.2762  0.168094  
1 1 1 18 1  8  o 3.84564  0.0571312 14.7903      0.439412 14.0311      0.606631 15.6282      0.637351 3.74548  0.0809817 3.9529   0.0806181 
1 1 1 18 1  9  o 10.8164  0.0860921 117.02       1.86242  117.631      2.71128  116.474      2.56272  10.8434  0.12502   10.7902  0.118753  
1 1 1 18 1  10 o 5.39023  0.0596481 29.0574      0.643034 29.4309      0.936071 28.7236      0.884862 5.42448  0.0862822 5.35895  0.0825593 
1 1 1 18 1  11 o 14.7423  0.102409  217.394      3.0195   216.779      4.21484  218.043      4.32784  14.7195  0.143172  14.7622  0.146585  
1 1 1 18 1  12 o 13.0192  0.0934657 169.534      2.43369  170.212      3.45013  168.863      3.43344  13.0437  0.132252  12.9919  0.132137  
1 1 1 18 1  13 o 13.6292  0.0988044 185.798      2.69326  185.107      3.75299  186.533      3.86727  13.6023  0.137954  13.6545  0.141612  
1 1 1 18 1  14 o 11.4959  0.0885473 132.176      2.03586  132.85       2.89034  131.511      2.86807  11.5243  0.125402  11.4661  0.125067  
1 1 1 18 1  15 f 17.4337  0.124959  304.009      4.35698  302.913      6.29047  305.02       6.04052  17.3997  0.180763  17.4606  0.172976  
1 1 1 18 1  16 o 4.69251  0.0781997 22.0216      0.733906 22.5966      1.04736  21.467       1.02869  4.75316  0.110176  4.63282  0.111022  
1 1 1 18 1  17 o 14.0289  0.100256  196.839      2.81297  197.083      3.98151  196.596      3.97477  14.0365  0.141827  14.0191  0.141763  
1 1 1 18 1  18 o 19.1864  0.13152   368.218      5.04678  370.506      7.17953  365.982      7.09566  19.2431  0.186548  19.1253  0.185504  
1 1 1 18 1  19 o 12.7246  0.0959719 161.945      2.44241  161.994      3.48964  161.898      3.41962  12.7254  0.137113  12.7217  0.134401  
1 1 1 18 1  20 o 10.0913  0.0914069 101.852      1.84482  102.27       2.68756  101.479      2.53691  10.111   0.132903  10.072   0.125939  
1 1 1 18 1  21 o 8.83385  0.0926578 78.0523      1.63705  76.489       2.27719  79.7244      2.35505  8.74408  0.130213  8.92706  0.131905  
1 1 1 18 1  22 o 14.6144  0.118399  213.661      3.46066  215.869      5.00528  211.638      4.79005  14.6867  0.170402  14.5425  0.164692  
1 1 1 18 1  23 o 11.1504  0.104641  124.374      2.33357  124.428      3.2672   124.317      3.33415  11.151   0.146498  11.1458  0.149569  
1 1 1 18 1  24 o 19.9703  0.15407   399.204      6.15365  402.063      8.76802  396.428      8.63858  20.0315  0.218856  19.8909  0.217149  
1 1 1 18 1  25 o 3.91788  0.128581  15.3631      1.00753  14.526       1.42657  16.1962      1.42317  3.80782  0.187321  4.02118  0.176959  
1 1 1 18 1  26 o 7.94227  0.101514  63.1211      1.6125   61.7733      2.25334  64.5357      2.3085   7.85439  0.143445  8.02806  0.143777  
1 1 1 18 1  27 o 5.00571  0.109919  25.0817      1.10044  25.4591      1.53656  24.6843      1.57674  5.0409   0.152409  4.9632   0.158843  
1 1 1 18 1  28 o 5.37579  0.115912  28.9407      1.24623  28.021       1.80209  29.7837      1.72529  5.2853   0.170481  5.45017  0.158279  
1 1 1 18 1  29 o 8.71823  0.0958971 76.0986      1.67211  74.6582      2.35577  77.5611      2.37376  8.63003  0.136487  8.79644  0.134927  
1 1 1 18 1  30 o 6.17331  0.0983878 38.1671      1.21476  37.6015      1.72132  38.7283      1.71456  6.1225   0.140573  6.21391  0.137961  
1 1 1 18 1  31 o 3.37475  0.139764  11.4314      0.943339 11.3022      1.33026  11.5621      1.33794  3.34928  0.198588  3.38772  0.19747   
1 1 1 18 1  32 o 0.618596 0.287318  -0.735722    0.855205 -0.292438    1.20719  -1.18233     1.21171  0.838765 0.369781  0.716008 0.335592  
1 1 1 18 1  33 o 1.15779  0.365555  1.38182      0.945048 0.70023      1.32392  2.08995      1.34945  1.0587   0.420136  1.40554  0.43548   
1 1 1 18 1  34 o 2.85874  0.1795    8.25711      1.02629  7.67396      1.44165  8.8563       1.46133  2.73941  0.263131  2.94653  0.247975  
1 1 1 18 1  35 o 2.44903  0.203112  6.08618      0.994855 6.20928      1.37198  5.94969      1.44471  2.4575   0.279141  2.40026  0.300949  
1 1 1 18 1  36 o 0.696769 0.317213  -0.545826    0.97587  1.17865      1.38219  -2.25984     1.37799  1.16405  0.43762   0.667627 0.32467   
1 1 1 18 1  37 o 1.16655  0.375706  1.449        0.994625 1.5363       1.35125  1.34577      1.46938  1.23131  0.436629  1.20467  0.451542  
1 1 1 18 1  38 o 1.4737   0.350262  2.41694      1.01855  1.11874      1.47159  3.61078      1.4112   1.14528  0.446088  1.7832   0.404849  
1 1 1 18 1  39 o 1.06075  0.390553  1.09722      1.09007  2.05295      1.52647  0.102673     1.55716  1.34664  0.465371  0.973022 0.42462   
1 1 1 18 1  40 o 1.59919  0.350226  2.8991       1.08946  2.94241      1.56245  2.8581       1.51989  1.55796  0.465796  1.53898  0.459265  
1 1 1 18 1  41 o 1.95879  0.270121  4.12215      1.05822  4.81663      1.49958  3.43325      1.49354  2.02761  0.383746  1.66436  0.441382  
1 1 1 18 1  42 o 1.68667  0.324615  3.28956      1.05596  2.5281       1.5067   4.02461      1.48035  1.38932  0.462759  1.79116  0.420063  
1 1 1 18 1  43 o 1.12048  0.39567   1.57281      1.10859  1.04313      1.54252  2.13866      1.59433  1.0369   0.436497  1.24823  0.469859  
1 1 1 18 1  44 o 0.643642 0.305576  -0.788885    1.06396  -0.435375    1.52776  -1.1218      1.4826   0.806342 0.377732  0.729911 0.350545  
1 1 1 18 1  45 o 0.731151 0.341533  -0.180288    1.2304   0.778183     1.76151  -1.09343     1.71935  0.919912 0.421299  0.744806 0.362347  
1 1 1 18 1  46 o 1.1164   0.432273  2.50276      1.37762  1.18067      1.81208  4.31331      2.12058  0.88779  0.414614  1.23741  0.515831  
1 1 1 18 1  47 o 0.650152 0.320212  -0.890413    1.47881  -1.08401     1.98868  -0.650939    2.21177  0.702752 0.350335  0.74262  0.370105  
1 1 1 18 2  0  o 20.6556  0.19416   426.961      8.01936  426.961      8.01936  426.961      8.01936  20.6593  0.137253  ?        ?         
1 1 1 18 2  1  o 25.9018  0.171514  671.384      8.88506  672.55       12.5851  670.226      12.5457  25.9148  0.242818  25.87    0.242476  
1 1 1 18 2  2  o 9.84197  0.0681235 96.8755      1.34094  95.6606      1.8718   98.1564      1.92194  9.77951  0.0957001 9.90624  0.0970067 
1 1 1 18 2  3  o 15.5581  0.107671  242.125      3.35031  241.069      4.56963  243.352      4.9266   15.5222  0.147197  15.5949  0.157956  
1 1 1 18 2  4  o 11.2717  0.0836606 127.074      1.886    126.916      2.63386  127.241      2.70185  11.2637  0.116918  11.2781  0.119783  
1 1 1 18 2  5  o 11.8753  0.0892167 141.053      2.11896  141.03       2.99484  141.075      2.99849  11.8732  0.126118  11.8751  0.126252  
1 1 1 18 2  6  o 11.7651  0.0829796 138.443      1.95253  138.169      2.75768  138.719      2.76493  11.7524  0.117324  11.7758  0.117399  
1 1 1 18 2  7  o 5.21844  0.0504904 27.234       0.526963 27.4822      0.752114 26.9947      0.738547 5.24199  0.0717394 5.19529  0.0710785 
1 1 1 18 2  8  o 11.0008  0.0880826 121.044      1.93796  121.749      2.72269  120.319      2.75905  11.0317  0.123403  10.9666  0.125793  
1 1 1 18 2  9  o 5.50983  0.0581002 30.3611      0.640245 30.2082      0.914937 30.5079      0.896239 5.49566  0.0832418 5.52289  0.0811386 
1 1 1 18 2  10 o 13.9754  0.105477  195.368      2.94815  192.541      4.22351  198.055      4.11716  13.8717  0.152235  14.0692  0.146318  
1 1 1 18 2  11 o 5.63228  0.0590861 31.7254      0.665579 30.9295      0.939642 32.5268      0.94291  5.56093  0.0844861 5.70273  0.0826717 
1 1 1 18 2  12 o 13.8453  0.0985003 191.737      2.72753  191.964      3.85967  191.51       3.85495  13.8518  0.13932   13.8354  0.139314  
1 1 1 18 2  13 o 7.37658  0.0676693 54.4195      0.998335 54.3003      1.40789  54.5401      1.41586  7.3681   0.0955394 7.38435  0.0958693 
1 1 1 18 2  14 o 17.4482  0.124745  304.525      4.35313  305.114      6.1632   303.939      6.14934  17.4624  0.17647   17.4288  0.176414  
1 1 1 18 2  15 o 3.92507  0.0763085 15.4076      0.599033 15.8772      0.852226 14.949       0.842184 3.98426  0.106949  3.86603  0.108921  
1 1 1 18 2  16 o 4.63536  0.0742542 21.4883      0.688389 21.4237      0.943304 21.5618      1.00686  4.62821  0.101908  4.64306  0.108426  
1 1 1 18 2  17 f 7.42868  0.0713218 55.1895      1.05965  55.2674      1.47049  55.1053      1.52833  7.43365  0.0989079 7.42269  0.10295   
1 1 1 18 2  18 o 8.84521  0.0778373 78.2455      1.37697  78.0623      1.93509  78.4333      1.95981  8.8344   0.10952   8.85535  0.110657  
1 1 1 18 2  19 o 5.10471  0.0809651 26.0615      0.826608 25.5662      1.17541  26.5461      1.16269  5.05563  0.116248  5.15164  0.112847  
1 1 1 18 2  20 o 4.59256  0.0934319 21.0955      0.858184 20.3771      1.20596  21.8326      1.2215   4.51324  0.133603  4.67168  0.130734  
1 1 1 18 2  21 o 10.1641  0.0979224 103.333      1.99059  106.296      2.85713  100.537      2.77491  10.3077  0.138593  10.0246  0.138406  
1 1 1 18 2  22 o 16.991   0.130566  288.83       4.43692  288.078      6.26603  289.585      6.2835   16.9649  0.184676  17.0092  0.184709  
1 1 1 18 2  23 o 14.0078  0.121574  196.312      3.40596  193.482      4.82889  199.113      4.8047   13.903   0.173663  14.1041  0.170329  
1 1 1 18 2  24 o 12.2155  0.110373  149.297      2.69651  152.345      3.8801   146.449      3.7501   12.3361  0.157266  12.0953  0.155024  
1 1 1 18 2  25 o 1.32011  0.352702  1.81549      0.949249 1.24496      1.32996  2.40795      1.35528  1.2076   0.432676  1.52314  0.427528  
1 1 1 18 2  26 o 6.68462  0.0994261 44.7131      1.32925  45.5673      1.88076  43.8606      1.87893  6.74601  0.139398  6.61831  0.14195   
1 1 1 18 2  27 o 5.16869  0.107799  26.7415      1.11436  28.8334      1.58636  24.7037      1.56572  5.3647   0.147852  4.96505  0.157674  
1 1 1 18 2  28 f 9.95098  0.103479  99.1375      2.05944  99.255       2.94069  99.0245      2.88509  9.95087  0.147761  9.93973  0.145129  
1 1 1 18 2  29 o 4.00805  0.1273    16.0993      1.02045  15.8499      1.4564   16.3398      1.43022  3.97226  0.183322  4.03377  0.177281  
1 1 1 18 2  30 o 3.56121  0.135056  12.719       0.961928 12.9485      1.39734  12.5124      1.32619  3.58748  0.194752  3.52727  0.187991  
1 1 1 18 2  31 f 1.06458  0.354138  1.10622      0.882395 1.66694      1.23952  0.530085     1.25644  1.28724  0.419728  1.01059  0.406252  
1 1 1 18 2  32 o 1.83903  0.239198  3.42587      0.879786 3.27261      1.24999  3.57633      1.2385   1.7511   0.368525  1.83773  0.349568  
1 1 1 18 2  33 o 3.10112  0.169433  9.69456      1.05087  8.52752      1.51173  10.7858      1.46182  2.8928   0.261293  3.26143  0.224108  
1 1 1 18 2  34 o 2.89692  0.173352  8.47485      1.00437  8.44632      1.42687  8.50287      1.41401  2.877    0.247978  2.88733  0.244864  
1 1 1 18 2  35 o 1.53763  0.323705  2.53925      0.964168 1.88921      1.34813  3.21989      1.37949  1.34032  0.437731  1.71104  0.408233  
1 1 1 18 2  36 f 4.30547  0.132395  18.6726      1.14005  18.4265      1.57213  18.9455      1.65565  4.2622   0.184427  4.31936  0.191655  
1 1 1 18 2  37 o 1.51472  0.344692  2.52457      1.02105  3.2458       1.37936  1.65032      1.51864  1.69616  0.410455  1.27907  0.461944  
1 1 1 18 2  38 o 1.81874  0.292011  3.48037      1.06218  4.62323      1.55102  2.47098      1.45764  2.02744  0.396653  1.4664   0.452251  
1 1 1 18 2  39 o 2.09003  0.258454  4.58536      1.08035  4.28164      1.56594  4.86122      1.4924   1.91848  0.419658  2.07707  0.372787  
1 1 1 18 2  40 o 1.11463  0.396082  1.31649      1.11246  1.94124      1.65878  0.805799     1.49973  1.31573  0.482036  1.06658  0.438186  
1 1 1 18 2  41 f 1.61171  0.336869  2.98425      1.05061  3.21046      1.49269  2.76217      1.47899  1.60055  0.44849   1.48238  0.455222  
1 1 1 18 2  42 o 2.90841  0.189927  8.84404      1.10477  7.20624      1.5838   10.3961      1.54181  2.53219  0.312734  3.10539  0.248247  
1 1 1 18 2  43 o 1.65229  0.350023  3.344        1.12135  3.54896      1.57304  3.13224      1.59892  1.5825   0.466007  1.47087  0.47662   
1 1 1 18 2  44 o 1.01417  0.38514   1.28497      1.07866  1.81359      1.5349   0.769166     1.51617  1.13602  0.451885  0.955215 0.417902  
1 1 1 18 2  45 o 0.998019 0.403542  1.4668       1.24996  1.16033      1.65973  1.8684       1.89994  0.957694 0.426619  1.05466  0.46456   
1 1 1 18 2  46 o 0.869246 0.387774  1.14931      1.37565  1.1166       1.82175  1.19271      2.09838  0.876178 0.410811  0.888686 0.424428  
1 1 1 18 2  47 o 0.672047 0.327613  -0.415647    1.42805  0.391117     2.01938  -1.22272     2.01977  0.778605 0.381745  0.692549 0.346274  
1 1 1 18 3  0  o 5.17927  0.0615544 26.8375      0.637411 26.8375      0.637411 26.8375      0.637411 5.17988  0.0435135 ?        ?         
1 1 1 18 3  1  o 6.76708  0.0506035 45.7963      0.684875 46.0882      0.971112 45.5074      0.966027 6.78839  0.0715274 6.74549  0.0716054 
1 1 1 18 3  2  o 9.95477  0.0726386 99.1105      1.4462   99.0963      2.02085  99.1255      2.07052  9.95342  0.101516  9.95482  0.103996  
1 1 1 18 3  3  o 11.7457  0.0855007 137.987      2.00853  138.605      2.85153  137.379      2.82959  11.7709  0.121126  11.7187  0.12073   
1 1 1 18 3  4  o 5.40878  0.0498857 29.2568      0.539642 28.8242      0.753128 29.7132      0.773621 5.36848  0.0701436 5.45063  0.0709663 
1 1 1 18 3  5  o 8.83811  0.0719789 78.1227      1.27232  80.4476      1.82492  75.9238      1.77478  8.96804  0.101746  8.71224  0.101856  
1 1 1 18 3  6  o 1.61058  0.0841518 2.59445      0.271066 2.61932      0.382387 2.56933      0.384312 1.61813  0.118157  1.60261  0.119902  
1 1 1 18 3  7  o 8.97228  0.0691731 80.5122      1.24128  81.0917      1.78897  79.9743      1.72372  9.00388  0.0993442 8.9417   0.0963866 
1 1 1 18 3  8  o 10.5714  0.0917982 111.78       1.94086  108.645      2.67875  115.244      2.81598  10.4209  0.128528  10.7326  0.131188  
1 1 1 18 3  9  o 5.7457   0.0588605 33.0162      0.67639  32.2595      0.936278 33.8423      0.978221 5.67921  0.0824302 5.81685  0.0840851 
1 1 1 18 3  10 o 9.98756  0.0771411 99.7667      1.5409   99.8233      2.20118  99.7123      2.15779  9.98958  0.110174  9.98408  0.108062  
1 1 1 18 3  11 o 13.5204  0.0961552 182.843      2.60011  185.183      3.71476  180.595      3.64058  13.605   0.136522  13.4355  0.135484  
1 1 1 18 3  12 o 8.0908   0.0695545 65.4685      1.1255   65.8428      1.5411   65.0407      1.64764  8.11348  0.0949718 8.06377  0.102163  
1 1 1 18 3  13 o 9.548    0.0786945 91.1763      1.50275  93.2036      2.16     89.2745      2.09204  9.6529   0.111884  9.44727  0.110722  
1 1 1 18 3  14 o 13.0008  0.0969851 169.049      2.52177  174.196      3.74688  164.787      3.40958  13.196   0.141971  12.8349  0.132824  
1 1 1 18 3  15 o 20.8004  0.145534  432.794      6.05434  433.191      8.66598  432.416      8.46193  20.8063  0.208254  20.788   0.203529  
1 1 1 18 3  16 o 9.97669  0.0819901 99.5441      1.63598  99.7511      2.29943  99.332       2.32808  9.98655  0.115127  9.96552  0.116807  
1 1 1 18 3  17 o 13.3798  0.096754  179.045      2.5891   177.694      3.63755  180.432      3.68603  13.3283  0.13646   13.4306  0.137225  
1 1 1 18 3  18 f 10.3177  0.0822368 106.467      1.69699  106.692      2.39015  106.24       2.4098   10.328   0.115712  10.306   0.116912  
1 1 1 18 3  19 o 26.8795  0.182829  722.994      9.82868  723.137      13.7529  722.845      14.0516  26.8734  0.255883  26.8672  0.261502  
1 1 1 18 3  20 o 12.7108  0.0981353 161.597      2.49475  162.152      3.56771  161.066      3.4898   12.7312  0.140117  12.6886  0.137517  
1 1 1 18 3  21 o 10.5273  0.101512  110.851      2.13729  112.712      3.04286  109.04       3.00272  10.6139  0.143343  10.4396  0.143814  
1 1 1 18 3  22 o 7.30078  0.0929071 53.3143      1.35659  52.1639      1.96638  54.3591      1.87396  7.22057  0.136166  7.37118  0.127114  
1 1 1 18 3  23 o 12.6485  0.11419   160.054      2.88867  159.871      4.13493  160.229      4.03723  12.6383  0.163587  12.6527  0.159539  
1 1 1 18 3  24 f 7.42003  0.097203  55.0801      1.4425   55.3819      1.99982  54.7527      2.0827   7.43886  0.134417  7.39619  0.140796  
1 1 1 18 3  25 o 12.3372  0.105964  152.3        2.61459  151.786      3.61158  152.866      3.79005  12.3129  0.146658  12.3559  0.15337   
1 1 1 18 3  26 o 7.95152  0.096569  63.2665      1.53574  62.9379      2.15068  63.6083      2.19369  7.92836  0.135632  7.97032  0.137616  
1 1 1 18 3  27 o 3.45413  0.144749  11.953       0.999964 12.4263      1.43388  11.505       1.39524  3.51865  0.203754  3.38556  0.206057  
1 1 1 18 3  28 o 3.60827  0.144603  13.0498      1.04353  14.3998      1.50148  11.7885      1.45135  3.78646  0.19827   3.42491  0.211882  
1 1 1 18 3  29 o 4.0058   0.125742  16.0812      1.00739  15.9698      1.44148  16.1876      1.40844  3.98729  0.180759  4.01491  0.175401  
1 1 1 18 3  30 o 2.53384  0.180483  6.45451      0.914629 5.28708      1.33045  7.50063      1.25943  2.28345  0.291324  2.72677  0.230938  
1 1 1 18 3  31 o 4.04779  0.124133  16.4347      1.00493  17.5934      1.45635  15.3815      1.38845  4.18192  0.174125  3.90975  0.177563  
1 1 1 18 3  32 o 2.24835  0.203497  5.10358      0.915067 6.48863      1.30917  3.78052      1.27954  2.52777  0.258958  1.88928  0.351755  
1 1 1 18 3  33 o 0.666205 0.305011  -0.618037    0.922482 0.822508     1.29681  -2.09365     1.3125   1.07684  0.418897  0.661255 0.32018   
1 1 1 18 3  34 o 0.858199 0.352253  0.303685     0.968295 0.612255     1.38267  0.0067082    1.35645  1.0502   0.424514  0.931827 0.40134   
1 1 1 18 3  35 o 2.05455  0.240592  4.3111       0.988618 3.5384       1.38444  5.11509      1.41221  1.79765  0.395756  2.22041  0.318006  
1 1 1 18 3  36 o 3.4276   0.156578  11.8737      1.07337  13.4943      1.49258  10.1378      1.54472  3.64018  0.205014  3.14278  0.245757  
1 1 1 18 3  37 o 2.29829  0.224831  5.42652      1.03345  4.779        1.3768   6.26221      1.5641   2.12646  0.32373   2.43522  0.321142  
1 1 1 18 3  38 o 3.43216  0.170735  11.9923      1.17198  9.98866      1.61849  14.2012      1.69932  3.09501  0.261467  3.70805  0.229139  
1 1 1 18 3  39 o 2.08189  0.272131  4.57414      1.1331   6.13651      1.68765  3.29178      1.52896  2.36767  0.356395  1.66245  0.449195  
1 1 1 18 3  40 o 0.940147 0.376074  0.663639     1.06918  1.25511      1.50684  0.0639114    1.51732  1.15156  0.450811  0.946621 0.41607   
1 1 1 18 3  41 o 0.716141 0.326592  -0.427255    1.04416  -0.84962     1.51297  -0.043128    1.44286  0.812977 0.379355  0.894358 0.398106  
1 1 1 18 3  42 o 0.752548 0.335008  -0.0891107   1.02191  0.209748     1.48407  -0.35859     1.40924  0.923919 0.408313  0.828318 0.378296  
1 1 1 18 3  43 o 0.644221 0.30718   -0.937156    1.08793  -2.00899     1.54211  0.12488      1.53504  0.687003 0.336016  0.892527 0.403401  
1 1 1 18 3  44 o 1.05535  0.392692  1.46315      1.10731  1.39384      1.54087  1.53717      1.59235  1.05192  0.439183  1.07894  0.448204  
1 1 1 18 3  45 o 0.95861  0.396201  1.27796      1.23445  1.2858       1.61734  1.26703      1.91063  0.971787 0.428273  0.979444 0.445355  
1 1 1 18 3  46 o 0.677015 0.325828  -0.396446    1.29778  1.56055      1.75729  -2.74438     1.92482  0.916299 0.420125  0.641909 0.323729  
1 1 1 18 3  47 o 0.954622 0.416235  2.24297      1.49362  3.74121      2.00894  0.391164     2.23344  1.04548  0.46744   0.771012 0.382527  
1 1 1 18 4  0  o 10.8771  0.112746  118.368      2.45209  118.368      2.45209  118.368      2.45209  10.8784  0.0797039 ?        ?         
1 1 1 18 4  1  o 8.58824  0.0639563 73.7654      1.09854  72.8144      1.51999  74.8055      1.58949  8.53227  0.089073  8.64809  0.0918984 
1 1 1 18 4  2  o 4.17168  0.0446794 17.4038      0.372776 17.5485      0.526561 17.2584      0.527812 4.18888  0.0628522 4.15411  0.0635289 
1 1 1 18 4  3  o 18.3718  0.134269  337.681      4.93354  340.547      7.03258  334.904      6.92286  18.4452  0.190634  18.2919  0.189233  
1 1 1 18 4  4  o 14.4927  0.104654  210.097      3.03342  207.406      4.23668  212.928      4.34518  14.3975  0.147132  14.5878  0.148932  
1 1 1 18 4  5  f 15.1516  0.104464  229.637      3.1656   231.549      4.51174  227.784      4.44274  15.2123  0.148293  15.0882  0.147226  
1 1 1 18 4  6  o 16.0183  0.112852  256.674      3.61541  261.166      5.08726  252.09       5.13905  16.1552  0.157449  15.8717  0.161893  
1 1 1 18 4  7  o 13.2435  0.103161  175.441      2.73242  174.558      3.80191  176.385      3.9297   13.2083  0.143921  13.277   0.147989  
1 1 1 18 4  8  o 9.23841  0.0740016 85.3613      1.36731  85.833       1.89458  84.8486      1.97529  9.26325  0.102263  9.20984  0.107238  
1 1 1 18 4  9  o 20.3038  0.143952  412.472      5.84554  413.399      8.18186  411.505      8.35452  20.3211  0.201314  20.274   0.20604   
1 1 1 18 4  10 o 10.1402  0.0790727 102.84       1.60363  101.994      2.30283  103.636      2.23445  10.0975  0.11403   10.1786  0.109762  
1 1 1 18 4  11 o 13.92    0.099824  193.812      2.77909  193.018      3.86977  194.659      3.99362  13.8898  0.139303  13.9485  0.143156  
1 1 1 18 4  12 o 11.7928  0.0852954 139.093      2.01174  139.76       2.82018  138.403      2.87055  11.82    0.119297  11.7624  0.122022  
1 1 1 18 4  13 o 6.36709  0.0657584 40.5434      0.83738  39.4972      1.19234  41.5615      1.17629  6.28411  0.0948692 6.44628  0.0912382 
1 1 1 18 4  14 o 3.0073   0.0845814 9.04496      0.508724 8.7388       0.729483 9.33484      0.709809 2.95576  0.1234    3.05495  0.116174  
1 1 1 18 4  15 o 9.38879  0.0782553 88.1573      1.46945  85.3957      2.02355  91.2383      2.13733  9.24016  0.109498  9.55098  0.11189   
1 1 1 18 4  16 o 13.7704  0.102081  189.653      2.81138  188.571      3.90622  190.817      4.04943  13.73    0.142251  13.8114  0.146598  
1 1 1 18 4  17 o 5.52898  0.0707047 30.5719      0.781849 30.7086      1.11992  30.4419      1.09201  5.5411   0.101055  5.517    0.0989681 
1 1 1 18 4  18 o 16.203   0.117772  262.601      3.81653  264.497      5.48506  260.821      5.31378  16.2592  0.168675  16.1461  0.164554  
1 1 1 18 4  19 o 7.07448  0.0755702 50.0541      1.06924  49.1068      1.4866   51.0694      1.53903  7.00682  0.106082  7.14544  0.107693  
1 1 1 18 4  20 o 9.26996  0.0832679 85.9451      1.54378  85.4889      2.16761  86.4146      2.1992   9.24463  0.117236  9.29452  0.118306  
1 1 1 18 4  21 o 7.57549  0.0946929 57.4007      1.43469  58.255       2.00457  56.5036      2.05425  7.63085  0.131347  7.51514  0.136674  
1 1 1 18 4  22 o 10.053   0.093491  101.088      1.87973  102.38       2.69246  99.8596      2.62548  10.1157  0.133083  9.99048  0.131399  
1 1 1 18 4  23 o 12.5998  0.116322  158.83       2.93127  160.27       4.15514  157.403      4.1358   12.6538  0.164186  12.54    0.164904  
1 1 1 18 4  24 o 0.906209 0.356661  0.469183     0.946835 1.18401      1.31476  -0.300972    1.36469  1.19005  0.429817  0.907039 0.396653  
1 1 1 18 4  25 o 10.8557  0.100906  117.914      2.1908   114.492      2.96477  122.03       3.25156  10.6943  0.138615  11.0399  0.147264  
1 1 1 18 4  26 o 4.22866  0.123994  17.9007      1.04866  19.3207      1.47071  16.4322      1.49567  4.39118  0.167462  4.04879  0.184705  
1 1 1 18 4  27 o 3.6655   0.141204  13.4606      1.03517  11.4918      1.47645  15.3642      1.45177  3.38255  0.218245  3.91352  0.185481  
1 1 1 18 4  28 o 4.22875  0.126784  17.9149      1.07227  17.8393      1.54338  17.9854      1.49083  4.21565  0.183054  4.23347  0.176077  
1 1 1 18 4  29 o 5.53825  0.10317   30.7179      1.14276  29.2141      1.59628  32.2989      1.63671  5.39673  0.147893  5.67493  0.144205  
1 1 1 18 4  30 o 6.43079  0.0976553 41.4213      1.256    41.1476      1.8056   41.678       1.7483   6.40387  0.140977  6.44582  0.135615  
1 1 1 18 4  31 o 3.71986  0.129556  13.8842      0.963863 13.6836      1.36454  14.0839      1.36168  3.68649  0.185073  3.74044  0.182021  
1 1 1 18 4  32 o 4.00935  0.126697  16.1362      1.01595  15.7738      1.43762  16.4976      1.43592  3.95616  0.181694  4.04664  0.177421  
1 1 1 18 4  33 o 0.915509 0.353108  0.596267     0.917367 0.888809     1.28111  0.288403     1.31423  1.08703  0.417706  0.972653 0.405813  
1 1 1 18 4  34 o 1.60548  0.319357  2.75245      0.989036 2.56046      1.40461  2.94126      1.39288  1.52809  0.437288  1.63455  0.422946  
1 1 1 18 4  35 o 1.86853  0.26037   3.58043      0.973016 3.08797      1.36527  4.08876      1.38709  1.67299  0.410549  1.94444  0.370013  
1 1 1 18 4  36 f 1.22917  0.371753  1.63053      0.991392 2.02498      1.35025  1.16917      1.46028  1.36561  0.437543  1.17127  0.44715   
1 1 1 18 4  37 o 0.69745  0.318559  -0.570514    0.999575 -0.317203    1.35637  -0.871612    1.47878  0.865482 0.385599  0.832634 0.383284  
1 1 1 18 4  38 f 1.02608  0.385704  0.945643     1.07364  1.03218      1.48662  0.851308     1.5522   1.1278   0.445945  1.10568  0.448613  
1 1 1 18 4  39 o 3.24157  0.179686  10.7625      1.16493  9.65398      1.64767  11.8704      1.64725  3.0241   0.272424  3.37073  0.244346  
1 1 1 18 4  40 o 3.19887  0.187563  10.5473      1.19998  12.0054      1.67937  9.02629      1.71526  3.37512  0.248787  2.89582  0.296161  
1 1 1 18 4  41 o 0.877901 0.364713  0.467384     1.05447  0.614206     1.50582  0.326113     1.47709  1.00729  0.427984  0.955101 0.415168  
1 1 1 18 4  42 o 1.08251  0.379689  1.36629      1.01932  0.325016     1.46741  2.33723      1.41698  0.935436 0.410173  1.33961  0.44877   
1 1 1 18 4  43 f 1.55304  0.357156  3.01316      1.08689  2.55526      1.50489  3.51247      1.57146  1.33159  0.461887  1.55927  0.46733   
1 1 1 18 4  44 o 0.607303 0.292809  -1.06633     1.05989  -0.996102    1.44862  -1.14724     1.55483  0.724884 0.347736  0.736409 0.354957  
1 1 1 18 4  45 o 1.18269  0.415467  2.25096      1.22087  2.40956      1.72059  2.09013      1.73261  1.14071  0.46911   1.08717  0.460371  
1 1 1 18 4  46 o 0.709627 0.336481  -0.0158      1.28646  0.988153     1.74474  -1.21187     1.90437  0.849721 0.399058  0.706985 0.351096  
1 1 1 18 4  47 o 0.617832 0.307838  -1.17621     1.52552  1.93107      1.97431  -5.78008     2.40318  0.84712  0.406273  ?        ?         
1 1 1 18 5  0  o 5.4127   0.0685998 29.3132      0.742351 29.3132      0.742351 29.3132      0.742351 5.41344  0.048492  ?        ?         
1 1 1 18 5  1  o 2.69197  0.050077  7.24717      0.269612 7.50239      0.38832  7.00963      0.374626 2.73887  0.0708904 2.6474   0.0707535 
1 1 1 18 5  2  o 4.27078  0.0456445 18.2405      0.389875 19.0763      0.573204 17.521       0.531849 4.36739  0.0656231 4.18559  0.0635333 
1 1 1 18 5  3  o 4.98498  0.0501098 24.8516      0.499593 24.7586      0.714607 24.9406      0.698723 4.97546  0.0718132 4.99374  0.0699599 
1 1 1 18 5  4  o 16.0769  0.110386  258.551      3.54935  257.798      5.00726  259.311      5.03191  16.0509  0.155981  16.0979  0.156291  
1 1 1 18 5  5  o 9.31038  0.0691693 86.6943      1.28798  85.1857      1.79698  88.2882      1.84702  9.22843  0.0973609 9.39496  0.0982987 
1 1 1 18 5  6  o 9.83126  0.0752437 96.6686      1.47948  96.8425      2.12409  96.5047      2.0619   9.83929  0.107939  9.8222   0.104961  
1 1 1 18 5  7  o 14.2393  0.106253  202.82       3.02594  204.292      4.30924  201.389      4.25002  14.2885  0.150793  14.1867  0.149789  
1 1 1 18 5  8  o 9.49811  0.0804127 90.2302      1.52754  91.4801      2.10014  88.8261      2.22587  9.56294  0.109806  9.42295  0.118109  
1 1 1 18 5  9  o 14.1237  0.104971  199.536      2.96514  201.191      4.07874  197.68       4.31818  14.1803  0.143817  14.0555  0.153612  
1 1 1 18 5  10 o 27.8119  0.198076  774.263      11.0178  774.174      15.5777  774.352      15.5853  27.7964  0.28021   27.7996  0.280315  
1 1 1 18 5  11 o 7.59515  0.0716742 57.6933      1.08875  60.4235      1.6585   55.6257      1.44329  7.77218  0.106695  7.45742  0.0967685 
1 1 1 18 5  12 o 7.69023  0.0660382 59.1456      1.0157   60.7915      1.45496  57.581       1.41856  7.7961   0.0933134 7.58744  0.0934808 
1 1 1 18 5  13 o 7.50547  0.0666432 56.3368      1.00038  56.8123      1.41707  55.8645      1.41243  7.53675  0.0940108 7.47362  0.0944946 
1 1 1 18 5  14 o 12.6066  0.0935678 158.948      2.35914  159.71       3.38825  158.232      3.28672  12.6358  0.134074  12.5773  0.130661  
1 1 1 18 5  15 o 2.35019  0.114136  5.52446      0.536481 5.75273      0.750131 5.28546      0.767567 2.39805  0.156405  2.29853  0.166969  
1 1 1 18 5  16 o 10.7692  0.0902708 115.99       1.94429  113.75       2.70715  118.376      2.7942   10.6641  0.126929  10.8787  0.128425  
1 1 1 18 5  17 o 7.68741  0.0739338 59.1013      1.13672  58.8697      1.58257  59.3481      1.63378  7.67201  0.103139  7.70309  0.106047  
1 1 1 18 5  18 o 6.67005  0.0730321 44.494       0.974257 45.6651      1.38468  43.3458      1.37104  6.75694  0.102463  6.58309  0.104133  
1 1 1 18 5  19 o 2.74031  0.124549  7.51172      0.682606 6.76381      0.953678 8.2974       0.977461 2.59982  0.183412  2.87966  0.169718  
1 1 1 18 5  20 o 10.0057  0.0895262 100.131      1.79154  101.456      2.55861  98.8562      2.50935  10.0708  0.127032  9.94089  0.126213  
1 1 1 18 5  21 o 10.4964  0.0998164 110.202      2.09542  110.57       2.98003  109.842      2.94699  10.5125  0.141738  10.4779  0.140629  
1 1 1 18 5  22 f 18.904   0.144251  357.584      5.45386  360.963      7.67486  354.136      7.75155  18.9875  0.202103  18.8066  0.206086  
1 1 1 18 5  23 o 1.03172  0.36778   0.910367     0.959837 1.39501      1.38683  0.464771     1.32979  1.25776  0.442709  1.03314  0.416853  
1 1 1 18 5  24 o 4.39943  0.118923  19.3681      1.04639  20.5823      1.42673  17.9548      1.53931  4.53407  0.157335  4.23394  0.181782  
1 1 1 18 5  25 f 9.13293  0.0981441 83.4575      1.79269  84.5355      2.48139  82.2807      2.59276  9.1894   0.135014  9.06543  0.143003  
1 1 1 18 5  26 o 7.13445  0.094475  50.9333      1.34805  51.1149      1.88602  50.7436      1.92753  7.14491  0.131984  7.11867  0.135385  
1 1 1 18 5  27 o 5.87882  0.104378  34.5971      1.22724  34.8731      1.8182   34.3661      1.66328  5.89858  0.154122  5.85655  0.142001  
1 1 1 18 5  28 o 4.45324  0.117913  19.8634      1.05019  20.8452      1.49486  18.9065      1.47572  4.5585   0.163964  4.34084  0.169981  
1 1 1 18 5  29 o 3.15753  0.152903  10.0033      0.965588 9.94488      1.3475   10.065       1.38434  3.14319  0.214353  3.16166  0.218926  
1 1 1 18 5  30 o 6.2632   0.0986413 39.2938      1.23562  40.591       1.78051  38.0888      1.71613  6.36024  0.139972  6.1612   0.139269  
1 1 1 18 5  31 o 0.65012  0.29634   -0.54491     0.857428 0.0543531    1.21758  -1.13444     1.20765  0.903205 0.384336  0.720781 0.337327  
1 1 1 18 5  32 o 3.25084  0.153586  10.6289      0.998569 12.1568      1.43653  9.20032      1.38904  3.46856  0.207079  3.01373  0.230452  
1 1 1 18 5  33 o 0.822437 0.340227  0.22882      0.911577 -0.360615    1.25943  0.877403     1.32111  0.842589 0.373772  1.09396  0.42337   
1 1 1 18 5  34 o 3.1612   0.167878  10.0926      1.06139  10.3011      1.51134  9.88975      1.49094  3.17775  0.237801  3.11322  0.239453  
1 1 1 18 5  35 o 1.60539  0.325495  2.76934      1.00865  2.019        1.39055  3.60248      1.46528  1.37553  0.444356  1.80661  0.414164  
1 1 1 18 5  36 o 1.15896  0.380838  1.40637      1.02046  0.776903     1.4072   2.10455      1.48201  1.07614  0.43104   1.39191  0.458952  
1 1 1 18 5  37 o 1.42379  0.356939  2.25404      1.01541  2.19611      1.41485  2.31558      1.45813  1.3995   0.447835  1.43186  0.454274  
1 1 1 18 5  38 o 2.07755  0.261996  4.50597      1.08862  5.40214      1.55783  3.65068      1.52189  2.23841  0.347977  1.77466  0.432198  
1 1 1 18 5  39 o 2.96644  0.187856  9.034        1.11452  9.55424      1.55322  8.48184      1.60018  3.01649  0.257455  2.82823  0.282893  
1 1 1 18 5  40 o 0.682758 0.319611  -0.836149    1.0866   -0.457838    1.50099  -1.25271     1.57505  0.86856  0.394883  0.800908 0.376992  
1 1 1 18 5  41 f 1.13945  0.389535  1.50581      1.0676   0.60134      1.52276  2.38017      1.4972   1.00523  0.428843  1.36988  0.461297  
1 1 1 18 5  42 o 1.40368  0.355871  2.38134      1.00087  2.39917      1.41251  2.36337      1.4184   1.35243  0.448061  1.3427   0.448994  
1 1 1 18 5  43 o 0.956879 0.381845  0.980132     1.09917  -0.76747     1.47228  3.18085      1.65216  0.769547 0.362888  1.45005  0.484582  
1 1 1 18 5  44 o 0.590771 0.28672   -1.2309      1.06532  -1.58807     1.50833  -0.875375    1.50485  0.686366 0.334971  0.744731 0.35657   
1 1 1 18 5  45 o 0.782588 0.356669  0.233721     1.24106  2.01991      1.78544  -1.43609     1.7263   1.07031  0.460712  0.718077 0.352353  
1 1 1 18 5  46 o 0.657267 0.318054  -0.524129    1.28758  -1.87409     1.73603  1.12646      1.91962  0.645454 0.32255   0.859963 0.409308  
1 1 1 18 5  47 o 0.641149 0.31577   -0.435702    1.44254  -1.06632     1.9479   0.330191     2.14667  0.653321 0.328879  0.727408 0.362817  
1 1 1 18 6  0  o 4.75132  0.0746571 22.5934      0.709044 22.5934      0.709044 22.5934      0.709044 4.75228  0.0527651 ?        ?         
1 1 1 18 6  1  o 10.6305  0.078267  113.026      1.66403  113.924      2.36876  112.15       2.33814  10.6718  0.110982  10.5884  0.11041   
1 1 1 18 6  2  o 4.89374  0.0458941 23.95        0.449187 24.4402      0.651831 23.5067      0.619867 4.94342  0.0659291 4.84811  0.0639287 
1 1 1 18 6  3  o 13.5181  0.0956076 182.782      2.58486  181.158      3.62391  184.465      3.68802  13.4562  0.134655  13.5784  0.135804  
1 1 1 18 6  4  o 27.7227  0.189866  769.294      10.5272  771.155      14.7649  767.371      15.0136  27.7432  0.266099  27.6741  0.271258  
1 1 1 18 6  5  o 19.5116  0.139352  380.905      5.43795  381.848      7.71034  379.972      7.67067  19.5305  0.197392  19.4826  0.19686   
1 1 1 18 6  6  o 4.04838  0.0510486 16.3905      0.413328 17.1976      0.603308 15.6766      0.56741  4.1467   0.0727457 3.95909  0.0716591 
1 1 1 18 6  7  o 4.30235  0.051682  18.5116      0.444708 18.866       0.629979 18.1595      0.627852 4.34318  0.072525  4.26108  0.0736729 
1 1 1 18 6  8  o 13.8111  0.103866  190.8        2.86901  193.576      4.11139  188.166      4.00547  13.9091  0.147795  13.7134  0.146042  
1 1 1 18 6  9  o 18.4704  0.134634  341.312      4.97349  339.025      6.90393  343.781      7.17081  18.4043  0.187563  18.5324  0.193467  
1 1 1 18 6  10 o 5.94235  0.0634931 35.3151      0.754597 36.7766      1.09568  33.9964      1.04076  6.06376  0.0903469 5.83006  0.0892577 
1 1 1 18 6  11 o 4.04416  0.063057  16.3568      0.510026 16.1295      0.694215 16.6234      0.751791 4.01579  0.0864357 4.07677  0.0922043 
1 1 1 18 6  12 o 10.0562  0.0798232 101.14       1.60543  101.168      2.29309  101.114      2.24841  10.0568  0.114007  10.0542  0.111815  
1 1 1 18 6  13 o 10.6469  0.0798908 113.369      1.70117  111.569      2.40082  115.183      2.41085  10.5614  0.11366   10.7311  0.11233   
1 1 1 18 6  14 o 34.3387  0.238815  1180.18      16.4012  1185.55      23.2811  1174.89      23.1094  34.4009  0.33838   34.2462  0.3374    
1 1 1 18 6  15 o 17.8299  0.125055  317.979      4.45945  314.724      6.24175  321.373      6.37354  17.7363  0.175959  17.9226  0.177807  
1 1 1 18 6  16 o 23.8399  0.164366  568.57       7.83696  556.71       10.8687  581.414      11.3107  23.5851  0.230415  24.1024  0.234639  
1 1 1 18 6  17 o 9.37423  0.0798343 87.8853      1.49677  85.1429      2.08311  90.8122      2.15208  9.22632  0.112889  9.52854  0.112928  
1 1 1 18 6  18 o 15.9435  0.114045  254.26       3.63655  257.485      5.24278  251.27       5.04844  16.0422  0.163406  15.8476  0.159281  
1 1 1 18 6  19 o 7.85866  0.0774605 61.7663      1.21747  62.1106      1.71845  61.4194      1.7251   7.88004  0.109038  7.83605  0.110075  
1 1 1 18 6  20 o 4.04067  0.107558  16.3313      0.869215 15.2512      1.21856  17.4501      1.24023  3.90419  0.156058  4.17628  0.148486  
1 1 1 18 6  21 o 4.77751  0.105018  22.8312      1.00345  23.9822      1.47825  21.8476      1.36652  4.89569  0.150974  4.67282  0.14622   
1 1 1 18 6  22 o 12.4892  0.110565  156.04       2.76175  158.03       3.98063  154.192      3.83486  12.5661  0.158387  12.4129  0.154471  
1 1 1 18 6  23 o 7.34889  0.0940749 54.0248      1.38269  55.4387      1.96872  52.6485      1.94239  7.44315  0.132251  7.25337  0.133896  
1 1 1 18 6  24 o 2.5175   0.187965  6.34896      0.946407 6.78816      1.30205  5.85701      1.37803  2.60135  0.250263  2.41523  0.285278  
1 1 1 18 6  25 o 6.6982   0.0980964 44.8921      1.31414  43.0443      1.77392  47.1395      1.95639  6.55716  0.135266  6.86157  0.142561  
1 1 1 18 6  26 o 7.21341  0.0936956 52.0678      1.35173  51.58        1.88639  52.5825      1.93791  7.17719  0.131416  7.24643  0.133715  
1 1 1 18 6  27 o 5.28656  0.109681  27.9823      1.15967  26.8528      1.7113   28.9414      1.57698  5.17477  0.16535   5.37384  0.146727  
1 1 1 18 6  28 o 7.43475  0.0945332 55.3351      1.40566  57.7557      1.99353  52.9417      1.98233  7.5918   0.131295  7.26793  0.136375  
1 1 1 18 6  29 o 4.38747  0.118108  19.2892      1.03639  17.4016      1.44296  21.3005      1.48949  4.1623   0.173337  4.60637  0.161677  
1 1 1 18 6  30 o 2.44447  0.181168  6.01038      0.88572  6.6493       1.25191  5.37006      1.25328  2.56498  0.244039  2.30211  0.272203  
1 1 1 18 6  31 o 4.70504  0.110506  22.1937      1.03987  21.2486      1.46504  23.1533      1.47623  4.59756  0.159328  4.80006  0.153772  
1 1 1 18 6  32 o 3.03931  0.161289  9.29808      0.980417 9.50393      1.3903   9.09447      1.38277  3.06306  0.226947  2.99569  0.230792  
1 1 1 18 6  33 o 4.16944  0.124485  17.4655      1.03807  17.4249      1.45276  17.5079      1.48384  4.15526  0.174809  4.1644   0.178157  
1 1 1 18 6  34 o 3.7079   0.148257  13.8577      1.09944  11.8866      1.52216  16.0077      1.58974  3.41706  0.22273   3.97219  0.200109  
1 1 1 18 6  35 o 2.07648  0.243496  4.41271      1.01123  4.70859      1.41776  4.10632      1.44276  2.12373  0.33379   1.94126  0.385298  
1 1 1 18 6  36 o 3.58862  0.152728  13.0276      1.09616  13.2752      1.50669  12.7492      1.59772  3.60485  0.208982  3.52619  0.226551  
1 1 1 18 6  37 o 3.25741  0.17093   10.7889      1.11358  9.62057      1.56309  11.993       1.58686  3.0444   0.256716  3.41028  0.232659  
1 1 1 18 6  38 o 2.54763  0.222227  6.69993      1.1323   8.28314      1.64544  5.27582      1.56057  2.79973  0.293857  2.20813  0.353369  
1 1 1 18 6  39 o 0.681522 0.317559  -0.788467    1.05539  -1.17089     1.46243  -0.372833    1.52461  0.781006 0.366527  0.894661 0.403321  
1 1 1 18 6  40 o 0.903818 0.372378  0.488005     1.08615  0.555915     1.52185  0.4175       1.55066  1.0218   0.432014  1.00555  0.430984  
1 1 1 18 6  41 o 0.96576  0.375657  0.879898     1.04286  -1.15618     1.44871  3.06974      1.50241  0.757039 0.358068  1.5442   0.455647  
1 1 1 18 6  42 o 0.946994 0.363079  0.911179     0.96617  2.03053      1.36602  -0.209333    1.36673  1.25682  0.439664  0.830848 0.37749   
1 1 1 18 6  43 f 0.786529 0.348678  0.136477     1.09363  -0.368836    1.497    0.714827     1.60154  0.815136 0.379194  0.97227  0.427402  
1 1 1 18 6  44 o 1.12342  0.399062  1.80466      1.12917  1.69649      1.52049  1.93768      1.6861   1.07997  0.442031  1.11986  0.462956  
1 1 1 18 6  45 o 0.72975  0.341686  -0.164229    1.24446  -0.681939    1.76013  0.353259     1.75975  0.773779 0.373989  0.863464 0.404654  
1 1 1 18 6  46 o 0.650468 0.314511  -0.484609    1.24939  0.0567093    1.75158  -1.0453      1.78264  0.760027 0.368485  0.692245 0.343039  
1 1 1 18 6  47 o 0.968959 0.423006  2.81628      1.54654  1.52327      2.13155  4.25355      2.24732  0.782984 0.385652  0.959682 0.451316  
1 1 1 18 7  0  o 4.91949  0.0643556 24.2152      0.63295  24.2152      0.63295  24.2152      0.63295  4.92019  0.045491  ?        ?         
1 1 1 18 7  1  o 8.8785   0.0663431 78.8371      1.17806  80.0793      1.71131  77.7182      1.62415  8.94761  0.0956295 8.81479  0.0921263 
1 1 1 18 7  2  o 11.3862  0.079861  129.667      1.81862  127.477      2.53362  131.993      2.612    11.2887  0.112219  11.4868  0.113696  
1 1 1 18 7  3  o 12.6561  0.0911573 160.213      2.30739  160.036      3.29954  160.383      3.22793  12.6476  0.130441  12.6615  0.127471  
1 1 1 18 7  4  o 2.33605  0.0586719 5.45764      0.274121 5.00151      0.375622 5.97734      0.400947 2.23619  0.083987  2.44464  0.0820055 
1 1 1 18 7  5  o 3.94665  0.0479779 15.577       0.378704 15.4869      0.544791 15.6613      0.526798 3.93508  0.0692225 3.95719  0.0665621 
1 1 1 18 7  6  o 16.0463  0.11577   257.58       3.71536  260.288      5.30649  254.977      5.20365  16.1273  0.164519  15.962   0.163001  
1 1 1 18 7  7  o 7.41464  0.0612212 54.9825      0.907866 55.8338      1.28687  54.139       1.28098  7.47145  0.0861192 7.35716  0.0870569 
1 1 1 18 7  8  o 15.8319  0.122314  250.747      3.87294  251.289      5.4189   250.181      5.53734  15.846   0.170986  15.8108  0.175113  
1 1 1 18 7  9  o 4.61806  0.0569556 21.3282      0.526049 21.5833      0.764904 21.0993      0.724619 4.64538  0.0823295 4.59303  0.0788824 
1 1 1 18 7  10 o 13.8447  0.10117   191.722      2.80133  193.041      4.03365  190.493      3.89343  13.8903  0.145196  13.7986  0.141081  
1 1 1 18 7  11 o 1.87349  0.113981  3.51102      0.427084 4.10304      0.587761 2.84879      0.621639 2.02509  0.14512   1.68716  0.184226  
1 1 1 18 7  12 o 16.5602  0.118389  274.317      3.9211   273.465      5.40588  275.263      5.69604  16.5324  0.163494  16.5861  0.171711  
1 1 1 18 7  13 o 6.46959  0.0661326 41.8586      0.855702 41.7137      1.23433  41.9928      1.18733  6.45811  0.0955641 6.47972  0.0916191 
1 1 1 18 7  14 o 14.4893  0.105232  209.975      3.04947  211.302      4.28182  208.608      4.34407  14.5339  0.147305  14.4408  0.150409  
1 1 1 18 7  15 o 6.02512  0.0724003 36.3049      0.87244  32.5829      1.1778   40.83        1.29867  5.70768  0.103177  6.38934  0.101628  
1 1 1 18 7  16 o 23.2453  0.158768  540.547      7.38121  541.872      10.5725  539.288      10.3097  23.2689  0.22718   23.2138  0.22206   
1 1 1 18 7  17 o 7.91619  0.0749029 62.6721      1.18589  62.9697      1.65179  62.3555      1.70362  7.93461  0.104088  7.89576  0.107882  
1 1 1 18 7  18 o 18.4331  0.127742  339.891      4.70938  337.607      6.62468  342.223      6.69602  18.3681  0.180331  18.4932  0.18104   
1 1 1 18 7  19 o 3.32934  0.112385  11.0875      0.748337 12.4381      1.05185  9.70319      1.06488  3.52593  0.14916   3.11402  0.170982  
1 1 1 18 7  20 o 5.81717  0.0901703 33.846       1.04907  31.8053      1.44611  36.113       1.5242   5.63852  0.128235  6.00827  0.126842  
1 1 1 18 7  21 o 1.94044  0.217364  3.77014      0.843561 3.96286      1.20374  3.58416      1.1825   1.9882   0.302721  1.89065  0.312722  
1 1 1 18 7  22 o 7.66483  0.10093   58.7686      1.54722  58.8214      2.21582  58.7184      2.16139  7.66696  0.144504  7.66036  0.141076  
1 1 1 18 7  23 o 1.55837  0.297574  2.51802      0.894253 4.14526      1.26487  0.891813     1.26446  2.03185  0.31126   1.10743  0.418037  
1 1 1 18 7  24 o 10.909   0.101419  119.069      2.21276  118.15       3.04655  120.096      3.21921  10.8641  0.140211  10.9527  0.146959  
1 1 1 18 7  25 o 6.06272  0.0998912 36.7797      1.21123  36.5616      1.69233  37.0088      1.7343   6.04285  0.140027  6.07955  0.142634  
1 1 1 18 7  26 o 2.27829  0.199132  5.20686      0.90736  6.73865      1.27206  3.62024      1.29464  2.58965  0.245605  1.86244  0.36043   
1 1 1 18 7  27 o 3.94951  0.12867   15.6258      1.01637  16.2658      1.49115  15.0705      1.389    4.02587  0.185195  3.87557  0.1792    
1 1 1 18 7  28 o 7.43778  0.0943019 55.3823      1.40279  55.4421      1.95575  55.3189      2.0132   7.43787  0.131472  7.4291   0.135494  
1 1 1 18 7  29 o 4.3484   0.118528  18.9485      1.03081  17.4654      1.43435  20.5326      1.48242  4.16982  0.171992  4.52208  0.163909  
1 1 1 18 7  30 o 1.14324  0.345896  1.34732      0.858168 1.27202      1.20238  1.42552      1.22521  1.17414  0.412324  1.21994  0.417298  
1 1 1 18 7  31 o 2.46872  0.180483  6.13668      0.891125 6.73473      1.26718  5.55154      1.25342  2.57882  0.245689  2.33857  0.267988  
1 1 1 18 7  32 o 2.87921  0.175465  8.35662      1.0104   7.73885      1.38541  9.05859      1.47681  2.75935  0.251038  2.98609  0.247282  
1 1 1 18 7  33 o 2.82568  0.168226  8.05411      0.950706 9.24401      1.3351   6.83011      1.3541   3.01766  0.221214  2.5862   0.261794  
1 1 1 18 7  34 o 2.64907  0.209288  7.12828      1.10884  7.56728      1.58079  6.70307      1.55578  2.70939  0.291725  2.54631  0.305496  
1 1 1 18 7  35 o 3.16062  0.164639  10.0971      1.04072  13.1153      1.46543  7.0259       1.47827  3.59182  0.203995  2.60922  0.283277  
1 1 1 18 7  36 o 3.68523  0.153903  13.7422      1.13433  14.166       1.55025  13.2538      1.66419  3.72371  0.208158  3.59279  0.231602  
1 1 1 18 7  37 o 0.74449  0.331494  -0.271907    1.00108  -1.36972     1.41467  0.829237     1.41681  0.754175 0.355662  1.07833  0.432263  
1 1 1 18 7  38 o 1.55385  0.351852  2.70235      1.06821  3.4294       1.47633  1.90347      1.54753  1.71689  0.430378  1.32097  0.467382  
1 1 1 18 7  39 o 1.84127  0.299481  3.62217      1.10285  3.44728      1.52893  3.81186      1.59233  1.70109  0.444506  1.78892  0.44608   
1 1 1 18 7  40 o 1.18407  0.389739  1.588        1.06872  0.290315     1.46954  3.04485      1.55705  0.965668 0.416845  1.57254  0.463811  
1 1 1 18 7  41 o 2.00927  0.26488   4.37217      1.06443  3.8874       1.51723  4.84201      1.4937   1.75611  0.433936  2.01192  0.384947  
1 1 1 18 7  42 o 1.33362  0.36223   2.18385      0.991046 2.93526      1.4011   1.43146      1.402    1.48785  0.440331  1.11469  0.435158  
1 1 1 18 7  43 o 0.823571 0.358824  0.339463     1.10827  -0.172593    1.49022  0.973158     1.65779  0.834897 0.384508  1.01434  0.440359  
1 1 1 18 7  44 o 0.702476 0.327193  -0.315079    1.11898  0.383908     1.52323  -1.13448     1.64923  0.87272  0.397048  0.74484  0.360349  
1 1 1 18 7  45 f 0.681581 0.326959  -0.675251    1.28057  -0.000848951 1.74029  -1.47159     1.89109  0.824537 0.391152  0.738663 0.363831  
1 1 1 18 7  46 o 0.569501 0.282465  -1.40815     1.21536  -1.89953     1.69228  -0.884743    1.74657  0.631927 0.315963  0.695016 0.34323   
1 1 1 18 8  0  f 1.6372   0.105803  2.71425      0.343121 2.71425      0.343121 2.71425      0.343121 1.64243  0.0742061 ?        ?         
1 1 1 18 8  1  o 14.3621  0.0988441 206.325      2.83922  208.449      4.05191  204.275      3.97959  14.4339  0.140361  14.2887  0.139256  
1 1 1 18 8  2  o 13.1926  0.093478  174.087      2.46644  172.748      3.38916  175.594      3.59619  13.1404  0.12896   13.2479  0.135727  
1 1 1 18 8  3  o 8.25596  0.0668897 68.1692      1.10448  66.0181      1.50276  70.6962      1.62877  8.1242   0.0924868 8.40702  0.0968696 
1 1 1 18 8  4  f 10.1112  0.079984  102.254      1.61746  101.617      2.33375  102.843      2.24378  10.0786  0.115777  10.1394  0.110646  
1 1 1 18 8  5  o 10.9828  0.0882656 120.648      1.9388   120.301      2.8204   120.959      2.66958  10.9656  0.128602  10.9959  0.12139   
1 1 1 18 8  6  o 14.8991  0.109335  222.056      3.258    225.31       4.72907  219.117      4.49486  15.0052  0.157581  14.7979  0.151875  
1 1 1 18 8  7  o 3.14971  0.0595914 9.92163      0.375392 10.3892      0.545377 9.50062      0.517489 3.22293  0.0846089 3.08202  0.083953  
1 1 1 18 8  8  o 10.1698  0.0831524 103.442      1.69128  106.531      2.48708  100.785      2.30675  10.3195  0.120504  10.0375  0.114907  
1 1 1 18 8  9  f 11.6966  0.0825886 136.833      1.93201  137.313      2.7414   136.359      2.72323  11.7161  0.116993  11.6753  0.116624  
1 1 1 18 8  10 o 2.89778  0.076205  8.39828      0.441651 9.0317       0.618351 7.73864      0.631018 3.0049   0.102891  2.78141  0.113435  
1 1 1 18 8  11 o 17.1289  0.122006  293.494      4.17965  294.669      5.93571  292.339      5.88644  17.1602  0.17295   17.0923  0.172196  
1 1 1 18 8  12 o 14.779   0.103466  218.463      3.05825  218.746      4.28749  218.17       4.36356  14.7872  0.144974  14.7676  0.147741  
1 1 1 18 8  13 o 19.8424  0.142005  393.847      5.63545  388.099      7.59907  400.872      8.40052  19.6943  0.192926  20.0146  0.20986   
1 1 1 18 8  14 o 6.41873  0.0659348 41.2027      0.846436 42.743       1.1849   39.5976      1.20956  6.53742  0.0906246 6.29223  0.0961155 
1 1 1 18 8  15 o 25.0266  0.175622  626.62       8.79048  623.426      12.3809  629.866      12.483   24.9568  0.248046  25.0853  0.24881   
1 1 1 18 8  16 o 16.1457  0.114935  260.735      3.71141  257.647      5.18942  263.969      5.31013  16.0481  0.161683  16.2437  0.163451  
1 1 1 18 8  17 o 5.11294  0.0756726 26.1448      0.773819 27.6335      1.0801   24.5748      1.10917  5.25626  0.102744  4.95674  0.111885  
1 1 1 18 8  18 o 3.63933  0.0962141 13.2472      0.700309 13.5516      0.98037  12.93        1.00072  3.68058  0.133181  3.59512  0.139177  
1 1 1 18 8  19 o 4.26468  0.0976529 18.1913      0.832918 17.0399      1.14802  19.471       1.21029  4.12707  0.139084  4.41169  0.137169  
1 1 1 18 8  20 o 3.73765  0.121777  13.9751      0.91032  12.8298      1.25994  15.2259      1.31671  3.58051  0.175945  3.90067  0.16878   
1 1 1 18 8  21 o 2.13729  0.195728  4.57293      0.836653 3.65977      1.1946   5.45207      1.17213  1.9104   0.312656  2.33288  0.25122   
1 1 1 18 8  22 o 8.99672  0.103365  80.97        1.8599   81.7342      2.71488  80.2941      2.55314  9.03727  0.150205  8.95764  0.142512  
1 1 1 18 8  23 o 2.26228  0.198185  5.1268       0.896701 5.14101      1.25396  5.11192      1.28278  2.26349  0.276997  2.25687  0.284195  
1 1 1 18 8  24 o 8.43149  0.0940769 71.1242      1.58642  71.2406      2.17186  70.991       2.3228   8.43664  0.128716  8.4213   0.137912  
1 1 1 18 8  25 o 1.33817  0.342406  1.87379      0.920208 2.58886      1.30561  1.16792      1.29717  1.57133  0.410837  1.18001  0.426859  
1 1 1 18 8  26 o 2.99861  0.152127  9.00911      0.912338 7.68973      1.26558  10.4366      1.3164   2.76694  0.228696  3.22491  0.204099  
1 1 1 18 8  27 o 5.52889  0.104314  30.6046      1.15348  30.571       1.64527  30.6371      1.61763  5.52251  0.148961  5.52871  0.146294  
1 1 1 18 8  28 o 5.60431  0.100817  31.4501      1.13002  30.3024      1.54337  32.7764      1.65907  5.49767  0.140366  5.71719  0.145095  
1 1 1 18 8  29 o 4.24836  0.121574  18.0899      1.03298  16.0028      1.42714  20.3866      1.49708  3.99036  0.178824  4.50541  0.166143  
1 1 1 18 8  30 o 2.44579  0.1826    6.01968      0.893205 4.91111      1.2611   7.13561      1.26528  2.19904  0.286739  2.65702  0.238101  
1 1 1 18 8  31 o 3.47589  0.137159  12.1315      0.953498 13.5374      1.35584  10.7559      1.34118  3.66572  0.184935  3.26469  0.205407  
1 1 1 18 8  32 o 1.40298  0.340416  2.10908      0.94683  1.89789      1.31076  2.33952      1.36919  1.35035  0.43094   1.47698  0.434711  
1 1 1 18 8  33 f 4.20352  0.12107   17.7513      1.01784  16.9         1.40771  18.6839      1.47343  4.09175  0.172018  4.30247  0.171231  
1 1 1 18 8  34 o 2.02016  0.264448  4.18344      1.06845  5.52177      1.54858  2.9675       1.47607  2.30322  0.336177  1.63697  0.440931  
1 1 1 18 8  35 o 5.20086  0.114893  27.1918      1.19508  28.1452      1.67222  26.1965      1.70858  5.27858  0.158397  5.08943  0.167855  
1 1 1 18 8  36 o 2.06014  0.258647  4.38776      1.0657   4.18008      1.43981  4.63939      1.58487  1.94584  0.383631  2.04376  0.40206   
1 1 1 18 8  37 o 2.83146  0.194974  8.19662      1.10412  6.49858      1.54836  9.95337      1.5749   2.47898  0.312298  3.09643  0.254309  
1 1 1 18 8  38 o 1.14156  0.387892  1.39102      1.05862  0.566051     1.45668  2.31439      1.54111  1.02747  0.42787   1.41682  0.468013  
1 1 1 18 8  39 o 1.69997  0.334776  3.22165      1.09767  3.96047      1.53075  2.43961      1.57488  1.83702  0.424788  1.43621  0.473113  
1 1 1 18 8  40 o 0.873173 0.362025  0.420606     1.03575  0.332737     1.43251  0.516865     1.49933  0.960568 0.413056  1.00649  0.427336  
1 1 1 18 8  41 o 0.918091 0.368825  0.702642     1.03463  -0.823411    1.49156  2.11788      1.43639  0.800778 0.374787  1.29702  0.451121  
1 1 1 18 8  42 o 0.950844 0.370966  0.918278     1.01855  3.12404      1.45011  -1.22966     1.43098  1.52342  0.447052  0.729757 0.348994  
1 1 1 18 8  43 f 0.968096 0.378663  1.07646      1.06266  -0.682782    1.45565  3.08384      1.55492  0.769194 0.362168  1.43253  0.470105  
1 1 1 18 8  44 o 0.676611 0.31802   -0.479425    1.11289  0.0902101    1.50873  -1.15927     1.64823  0.829312 0.383816  0.738154 0.357745  
1 1 1 18 8  45 o 0.878854 0.383619  0.928974     1.27161  1.12381      1.72512  0.697169     1.88171  0.93186  0.423576  0.894986 0.41925   
1 1 1 18 8  46 o 0.588333 0.291944  -1.44312     1.3038   -1.58292     1.78672  -1.28389     1.90682  0.664618 0.331429  0.695563 0.346232  
1 1 1 18 9  0  o 8.07615  0.0866741 65.2534      1.39962  65.2534      1.39962  65.2534      1.39962  8.07705  0.061273  ?        ?         
1 1 1 18 9  1  o 12.2116  0.0880209 149.155      2.14976  148.42       3.05991  149.872      3.0209   12.1801  0.125611  12.2397  0.123406  
1 1 1 18 9  2  o 11.0124  0.0822274 121.295      1.81104  119.575      2.5598   123.019      2.5626   10.933   0.117068  11.0894  0.115543  
1 1 1 18 9  3  o 11.91    0.0908689 141.881      2.1645   141.172      3.08614  142.568      3.03661  11.8788  0.129901  11.9375  0.127188  
1 1 1 18 9  4  o 7.36773  0.0651296 54.2899      0.959714 55.5544      1.38265  53.1142      1.33318  7.45258  0.092763  7.28709  0.0914757 
1 1 1 18 9  5  o 16.601   0.129369  275.719      4.29532  279.281      6.14631  272.32       6.00516  16.7039  0.183978  16.4946  0.182034  
1 1 1 18 9  6  o 7.9124   0.0643853 62.613       1.01888  63.4826      1.46483  61.798       1.41814  7.9667   0.0919347 7.86032  0.090209  
1 1 1 18 9  7  o 22.8251  0.16484   521.348      7.52497  525.163      10.8496  517.812      10.4457  22.8998  0.236893  22.74    0.229677  
1 1 1 18 9  8  o 16.191   0.120325  262.244      3.89637  263.104      5.67158  261.475      5.36203  16.2143  0.174895  16.1646  0.165857  
1 1 1 18 9  9  o 18.9457  0.130659  359.086      4.95086  361.506      7.05098  356.733      6.95319  19.0054  0.1855    18.8796  0.184146  
1 1 1 18 9  10 o 19.3405  0.142858  374.231      5.5259   373.616      7.80005  374.851      7.82963  19.3199  0.201866  19.3517  0.202298  
1 1 1 18 9  11 o 7.67201  0.0648697 58.8647      0.995363 60.4166      1.44705  57.471       1.37131  7.77213  0.0930926 7.58033  0.0904517 
1 1 1 18 9  12 o 5.09268  0.0640937 25.9372      0.652817 26.5246      0.9939   25.4915      0.865755 5.14979  0.0964991 5.04858  0.0857424 
1 1 1 18 9  13 o 9.68382  0.0886981 93.7876      1.71787  103.125      2.61914  86.7378      2.27577  10.1538  0.128974  9.31224  0.122192  
1 1 1 18 9  14 o 19.5929  0.134425  383.982      5.26753  385.339      7.40022  382.588      7.4996   19.6248  0.188542  19.5545  0.191762  
1 1 1 18 9  15 o 4.82894  0.0738782 23.3206      0.713507 22.169       0.958649 24.7507      1.06834  4.70803  0.10181   4.97457  0.10738   
1 1 1 18 9  16 o 11.9948  0.090872  143.893      2.17997  143.217      3.00043  144.649      3.17267  11.9658  0.125375  12.0253  0.131917  
1 1 1 18 9  17 o 13.992   0.105416  195.816      2.94996  196.054      4.08037  195.555      4.26983  13.9991  0.145737  13.981   0.152701  
1 1 1 18 9  18 o 11.5852  0.0906    134.24       2.09924  134.391      2.99473  134.094      2.94348  11.5907  0.129187  11.5779  0.127116  
1 1 1 18 9  19 o 9.38507  0.0885559 88.0948      1.66221  92.2993      2.39417  84.1823      2.30955  9.60559  0.124624  9.17348  0.125882  
1 1 1 18 9  20 f 6.8468   0.0854614 46.8873      1.17027  48.3338      1.65484  45.4402      1.65519  6.95099  0.119036  6.73963  0.122795  
1 1 1 18 9  21 o 10.0374  0.0951838 100.777      1.9108   99.1906      2.68378  102.408      2.72118  9.95678  0.134771  10.117   0.134486  
1 1 1 18 9  22 o 5.82324  0.104154  33.9233      1.21302  34.5181      1.76674  33.3928      1.66843  5.87283  0.150416  5.77649  0.144416  
1 1 1 18 9  23 o 5.64239  0.0987984 31.8509      1.11492  32.0032      1.57936  31.6997      1.57411  5.65456  0.139654  5.62768  0.139855  
1 1 1 18 9  24 o 2.13399  0.218795  4.56625      0.933813 4.17983      1.26282  5.03249      1.38713  2.03896  0.309674  2.23726  0.310007  
1 1 1 18 9  25 o 10.7257  0.0997748 115.119      2.14031  115.973      2.99768  114.232      3.05689  10.7618  0.139274  10.6803  0.143109  
1 1 1 18 9  26 o 2.20686  0.200765  4.88777      0.886122 5.00484      1.24306  4.76682      1.26352  2.22941  0.278787  2.17512  0.290449  
1 1 1 18 9  27 o 4.80962  0.111141  23.1642      1.0691   24.0341      1.49184  22.2458      1.53286  4.89615  0.152348  4.70962  0.162737  
1 1 1 18 9  28 o 3.09805  0.148102  9.62665      0.917651 9.15524      1.28058  10.1242      1.31564  3.01649  0.212264  3.17255  0.207347  
1 1 1 18 9  29 o 1.49995  0.300142  2.36045      0.868594 0.979563     1.24369  3.67537      1.21362  1.11186  0.415683  1.87248  0.336283  
1 1 1 18 9  30 o 4.38448  0.113191  19.2719      0.992569 19.1312      1.39877  19.4146      1.40869  4.36298  0.1603    4.39518  0.160254  
1 1 1 18 9  31 o 2.09803  0.210424  4.44581      0.882954 4.44481      1.28078  4.4467       1.21889  2.08625  0.306958  2.08879  0.291768  
1 1 1 18 9  32 o 3.11595  0.15767   9.7766       0.982582 8.98027      1.37792  10.6005      1.40154  2.97468  0.231608  3.23487  0.21663   
1 1 1 18 9  33 o 1.09579  0.346589  1.23926      0.84925  1.39702      1.19781  1.07979      1.20425  1.19339  0.412256  1.1121   0.410374  
1 1 1 18 9  34 o 0.569997 0.275716  -1.51208     0.964021 -2.15142     1.41008  -0.951016    1.32095  0.689554 0.333533  0.779828 0.360235  
1 1 1 18 9  35 o 3.10593  0.159729  9.74599      0.992216 9.88006      1.41258  9.61541      1.39402  3.11074  0.227049  3.06877  0.22713   
1 1 1 18 9  36 o 2.38867  0.225549  5.85418      1.07753  5.26224      1.43504  6.61928      1.6315   2.23573  0.320933  2.50566  0.325563  
1 1 1 18 9  37 o 1.53577  0.342245  2.61034      1.024    2.24642      1.40454  3.02326      1.49612  1.40841  0.445747  1.61538  0.447825  
1 1 1 18 9  38 o 4.17316  0.142438  17.6672      1.18883  18.2158      1.69217  17.1325      1.67056  4.2079   0.201071  4.07873  0.204789  
1 1 1 18 9  39 o 0.704573 0.32643   -0.726798    1.09503  -2.49685     1.543    1.06919      1.55427  0.690089 0.337196  1.13148  0.453089  
1 1 1 18 9  40 o 0.753827 0.334922  -0.153572    1.01654  1.48617      1.45174  -1.73098     1.42388  1.18097  0.447299  0.704756 0.339695  
1 1 1 18 9  41 o 1.12176  0.382053  1.47781      1.02699  3.2304       1.45879  -0.244307    1.44605  1.5835   0.443258  0.856319 0.388856  
1 1 1 18 9  42 o 0.684161 0.315584  -0.442413    1.00902  1.88536      1.42612  -2.77581     1.42784  1.20551  0.44623   0.609593 0.302906  
1 1 1 18 9  43 o 0.582334 0.283013  -1.32897     1.0442   -1.70843     1.45507  -0.926045    1.49938  0.676677 0.330019  0.754634 0.360015  
1 1 1 18 9  44 o 0.731639 0.336129  -0.0625977   1.13112  0.0950741    1.54975  -0.242348    1.6547   0.830807 0.386227  0.812778 0.383696  
1 1 1 18 9  45 o 0.655731 0.315211  -0.634936    1.20571  -0.439524    1.65662  -0.855041    1.75817  0.756134 0.364937  0.740069 0.361265  
1 1 1 18 9  46 o 0.792121 0.360849  0.733135     1.26715  -0.0894531   1.79218  1.55543      1.79186  0.757828 0.368996  0.89857  0.416793  
1 1 1 18 10 0  o 12.9104  0.139684  166.782      3.60581  166.782      3.60581  166.782      3.60581  12.9124  0.0987434 ?        ?         
1 1 1 18 10 1  o 10.3757  0.0788768 107.674      1.6368   106.479      2.29321  108.915      2.33699  10.3171  0.111137  10.4344  0.111985  
1 1 1 18 10 2  o 7.44792  0.0620664 55.4775      0.924531 55.0292      1.32283  55.9057      1.29266  7.41734  0.0891715 7.47623  0.0864514 
1 1 1 18 10 3  o 3.38892  0.0570846 11.4858      0.386911 11.1131      0.533844 11.8982      0.561555 3.33334  0.0800766 3.44906  0.081407  
1 1 1 18 10 4  o 13.7264  0.107917  188.473      2.9626   187.674      4.17276  189.284      4.20696  13.6951  0.152345  13.7537  0.15294   
1 1 1 18 10 5  o 2.84005  0.063796  8.06677      0.362368 7.81602      0.5083   8.32592      0.516735 2.79541  0.0909171 2.88516  0.0895505 
1 1 1 18 10 6  o 8.61645  0.0713092 74.2529      1.22886  76.7437      1.77138  71.942       1.70621  8.75918  0.101115  8.48075  0.100593  
1 1 1 18 10 7  f 9.69544  0.0740254 94.0145      1.43542  94.8787      2.06969  93.2136      1.99249  9.73918  0.106256  9.65342  0.103201  
1 1 1 18 10 8  o 25.2305  0.177783  637.068      8.97111  640.91       12.6159  633.138      12.7594  25.2969  0.249357  25.1424  0.253744  
1 1 1 18 10 9  o 12.4293  0.0943249 154.521      2.34479  155.61       3.37843  153.508      3.25698  12.4716  0.135445  12.3873  0.131464  
1 1 1 18 10 10 o 3.40802  0.0704421 11.6158      0.480136 12.1847      0.71482  11.1482      0.648101 3.49025  0.102402  3.33855  0.0970632 
1 1 1 18 10 11 o 15.3789  0.105974  236.559      3.25954  237.021      4.61622  236.1        4.60317  15.3922  0.149953  15.3623  0.14982   
1 1 1 18 10 12 o 16.7613  0.120064  281.005      4.02484  278.703      5.65027  283.377      5.73465  16.6905  0.169266  16.8298  0.170372  
1 1 1 18 10 13 o 10.6536  0.0820013 113.51       1.74722  112.441      2.38154  114.756      2.57123  10.6028  0.112307  10.7113  0.120024  
1 1 1 18 10 14 o 12.8004  0.0921943 163.871      2.36025  167.927      3.40845  160.134      3.27155  12.957   0.13153   12.6528  0.129281  
1 1 1 18 10 15 o 8.04908  0.0728381 64.7928      1.17256  64.1936      1.63564  65.4263      1.68182  8.01145  0.102082  8.08798  0.10397   
1 1 1 18 10 16 o 17.5131  0.125025  306.791      4.37918  306.539      6.11802  307.055      6.271    17.5037  0.174764  17.5182  0.178985  
1 1 1 18 10 17 o 10.1645  0.0853543 103.332      1.73517  104.444      2.40243  102.119      2.50883  10.2184  0.117554  10.1038  0.124152  
1 1 1 18 10 18 o 5.13999  0.0823352 26.4233      0.846404 26.871       1.19045  25.9657      1.20365  5.18299  0.114842  5.0949   0.118123  
1 1 1 18 10 19 o 12.1001  0.102443  146.448      2.47915  149.086      3.5312   143.884      3.48142  12.2071  0.144637  11.9922  0.145153  
1 1 1 18 10 20 o 13.6446  0.106904  186.23       2.91733  188.224      4.14361  184.271      4.10806  13.7153  0.151058  13.5705  0.15136   
1 1 1 18 10 21 o 6.80031  0.0976128 46.2578      1.3276   47.0992      1.88668  45.4325      1.86846  6.8609   0.137495  6.73838  0.138643  
1 1 1 18 10 22 o 11.921   0.103207  142.168      2.46065  141.864      3.45364  142.481      3.50672  11.9058  0.14504   11.9315  0.146952  
1 1 1 18 10 23 o 3.64167  0.132827  13.2731      0.967423 12.5251      1.33376  14.1035      1.40533  3.53602  0.188597  3.75225  0.187264  
1 1 1 18 10 24 o 14.9661  0.116654  224.163      3.49169  225.278      4.88848  223.003      4.98906  14.9975  0.162977  14.9209  0.167183  
1 1 1 18 10 25 o 6.15151  0.100598  37.8688      1.23765  37.6668      1.70446  38.094       1.80007  6.13299  0.138958  6.16722  0.145938  
1 1 1 18 10 26 o 3.40806  0.134917  11.6351      0.91961  13.0721      1.31343  10.2532      1.28799  3.60984  0.181924  3.19587  0.201508  
1 1 1 18 10 27 o 7.12538  0.0942651 50.8226      1.34335  50.5693      1.84177  51.1106      1.96365  7.10435  0.129623  7.14141  0.137483  
1 1 1 18 10 28 o 3.04276  0.149591  9.28755      0.910342 11.1848      1.32352  7.58402      1.25412  3.33512  0.198421  2.74381  0.228536  
1 1 1 18 10 29 o 5.05677  0.105557  25.6188      1.06756  26.2769      1.54228  25.0134      1.47921  5.11627  0.150723  4.99207  0.148156  
1 1 1 18 10 30 o 1.90539  0.231428  3.66952      0.881921 3.6783       1.27075  3.66137      1.22496  1.866    0.35334   1.86417  0.34126   
1 1 1 18 10 31 o 2.71414  0.16598   7.41414      0.900984 7.10065      1.30298  7.70137      1.24721  2.64599  0.246218  2.75868  0.226053  
1 1 1 18 10 32 o 0.85289  0.340876  0.404478     0.877332 0.0159778    1.22751  0.810188     1.2544   0.894263 0.383376  1.06307  0.41231   
1 1 1 18 10 33 o 3.46766  0.137539  12.1009      0.953875 11.2571      1.32432  13.0107      1.37508  3.33293  0.198672  3.58475  0.191796  
1 1 1 18 10 34 f 2.72442  0.183082  7.51344      0.997584 6.26487      1.46153  8.60255      1.36501  2.46332  0.296657  2.90358  0.235056  
1 1 1 18 10 35 o 1.73026  0.270639  3.08681      0.936554 3.32508      1.32625  2.84979      1.32273  1.73657  0.391243  1.60132  0.410982  
1 1 1 18 10 36 o 3.05884  0.172874  9.50472      1.05759  9.79593      1.39207  9.10719      1.62643  3.08842  0.22537   2.95899  0.274829  
1 1 1 18 10 37 f 1.91422  0.259988  3.81549      0.995352 4.39727      1.40662  3.232        1.40867  1.99126  0.36696   1.67785  0.420284  
1 1 1 18 10 38 o 1.74571  0.312859  3.34724      1.05276  4.33186      1.47917  2.33649      1.49867  1.94704  0.393616  1.41478  0.461524  
1 1 1 18 10 39 o 2.98072  0.192746  9.1528       1.14904  8.78926      1.61782  9.52286      1.63226  2.87372  0.281486  2.99705  0.272311  
1 1 1 18 10 40 o 1.90679  0.272152  3.90969      1.03787  5.0219       1.46736  2.79623      1.46818  2.11623  0.346693  1.49669  0.452348  
1 1 1 18 10 41 o 0.822691 0.349493  0.309666     1.00384  0.451917     1.40773  0.162494     1.43187  0.947455 0.408472  0.908241 0.401267  
1 1 1 18 10 42 o 0.809184 0.350024  0.272087     1.04026  1.18494      1.46422  -0.658268    1.47818  1.05592  0.433246  0.793556 0.371709  
1 1 1 18 10 43 o 1.10874  0.379978  1.6146       1.01586  2.11071      1.4226   1.0984       1.45111  1.20933  0.446073  1.00518  0.423267  
1 1 1 18 10 44 o 0.763265 0.345251  0.194498     1.12658  -0.00617374  1.54685  0.421178     1.64404  0.813465 0.380893  0.87374  0.402955  
1 1 1 18 10 45 o 0.811538 0.360244  0.753735     1.17261  0.346925     1.65818  1.16068      1.65845  0.808822 0.382806  0.893675 0.409077  
1 1 1 18 10 46 o 0.586168 0.289063  -1.22234     1.22766  -1.43412     1.71826  -1.00149     1.75467  0.660781 0.328884  0.689559 0.341375  
1 1 1 18 11 0  o 33.12    0.324599  1098.84      21.4968  1098.84      21.4968  1098.84      21.4968  33.1344  0.229402  ?        ?         
1 1 1 18 11 1  o 8.58442  0.0654338 73.7009      1.12342  71.8881      1.53801  75.7744      1.64489  8.47772  0.0907089 8.70378  0.0944926 
1 1 1 18 11 2  o 17.7535  0.133876  315.34       4.75353  310.338      6.62358  320.654      6.826    17.6079  0.188086  17.8979  0.190693  
1 1 1 18 11 3  o 8.91109  0.0743032 79.4192      1.32424  78.4334      1.84957  80.4561      1.89686  8.85496  0.104437  8.96838  0.105752  
1 1 1 18 11 4  o 7.88649  0.067982  62.2043      1.07228  62.7082      1.50931  61.6908      1.52366  7.9179   0.0953097 7.85337  0.0970068 
1 1 1 18 11 5  f 4.48989  0.0534964 20.1606      0.480386 20.1662      0.663875 20.1543      0.695999 4.49037  0.0739222 4.489    0.0775226 
1 1 1 18 11 6  o 9.89028  0.0781994 97.8327      1.54683  97.1086      2.17198  98.5779      2.20345  9.85285  0.110221  9.92709  0.110982  
1 1 1 18 11 7  f 9.47286  0.0742628 89.7471      1.40696  92.5955      2.04123  87.169       1.94197  9.62132  0.106078  9.33519  0.104014  
1 1 1 18 11 8  o 13.3934  0.101589  179.426      2.72124  184.818      3.95698  174.588      3.74833  13.5913  0.14557   13.21    0.141875  
1 1 1 18 11 9  o 19.7702  0.138975  391.036      5.49514  395.51       7.85332  386.745      7.69181  19.8783  0.197535  19.657   0.19565   
1 1 1 18 11 10 o 11.3207  0.090315  128.18       2.04486  128.387      2.92262  127.981      2.86208  11.3289  0.12899   11.311   0.126517  
1 1 1 18 11 11 o 8.78378  0.0726666 77.1619      1.27658  76.8308      1.82963  77.4759      1.78201  8.76448  0.104378  8.80125  0.101236  
1 1 1 18 11 12 o 10.6014  0.0872471 112.403      1.84988  117.455      2.75716  108.267      2.49474  10.8363  0.127219  10.404   0.119893  
1 1 1 18 11 13 o 21.0608  0.142369  443.688      5.99679  446.64       8.5353   440.81       8.42721  21.1274  0.201996  20.9891  0.200752  
1 1 1 18 11 14 o 13.9728  0.0986804 195.268      2.75769  193.71       3.87385  196.869      3.9266   13.9159  0.139188  14.0289  0.139947  
1 1 1 18 11 15 o 19.3219  0.134772  373.442      5.20811  374.315      7.37999  372.575      7.35086  19.3417  0.19078   19.2967  0.19047   
1 1 1 18 11 16 o 14.5236  0.105506  210.977      3.06465  211.039      4.33072  210.915      4.33744  14.5243  0.149086  14.52    0.149361  
1 1 1 18 11 17 o 16.9585  0.122162  287.677      4.14336  286.512      5.76686  288.919      5.95695  16.9216  0.170399  16.9923  0.175284  
1 1 1 18 11 18 o 8.16605  0.0834969 66.6944      1.36368  68.5437      1.93227  64.8593      1.92482  8.27789  0.116713  8.05228  0.11952   
1 1 1 18 11 19 o 5.29759  0.0910021 28.07        0.964183 28.49        1.34572  27.6271      1.38213  5.33658  0.126084  5.25505  0.131505  
1 1 1 18 11 20 o 18.5874  0.137368  345.671      5.10663  345.719      7.12828  345.62       7.31924  18.5841  0.191785  18.5809  0.196957  
1 1 1 18 11 21 f 4.51516  0.115232  20.3953      1.04058  20.7315      1.46601  20.0539      1.47727  4.5513   0.161054  4.47621  0.165014  
1 1 1 18 11 22 o 12.9413  0.109876  167.56       2.84386  169.704      3.95852  165.274      4.08827  13.0207  0.152008  12.8491  0.159088  
1 1 1 18 11 23 o 12.5002  0.105177  156.344      2.62948  157.301      3.70744  155.375      3.72994  12.535   0.147884  12.4578  0.149703  
1 1 1 18 11 24 o 8.13709  0.0925097 66.2473      1.50552  67.4078      2.03479  64.8436      2.23794  8.20629  0.123977  8.0477   0.139042  
1 1 1 18 11 25 o 5.17072  0.107188  26.7598      1.10848  27.3437      1.59833  26.2188      1.53863  5.22438  0.152968  5.11595  0.150376  
1 1 1 18 11 26 o 4.95122  0.101919  24.5408      1.00924  23.4843      1.4427   25.5534      1.41236  4.84058  0.149021  5.05001  0.139837  
1 1 1 18 11 27 o 4.2949   0.114347  18.4751      0.982219 18.3576      1.3565   18.6047      1.4241   4.2781   0.15854   4.30622  0.165354  
1 1 1 18 11 28 o 6.6758   0.0968841 44.6271      1.29356  44.3774      1.82384  44.8797      1.83495  6.65251  0.137079  6.69005  0.13714   
1 1 1 18 11 29 o 7.0374   0.0938667 49.6017      1.32116  47.9045      1.86389  51.3153      1.87293  6.91022  0.134865  7.15265  0.130926  
1 1 1 18 11 30 o 3.61141  0.133802  13.0902      0.966428 13.657       1.38831  12.5574      1.34614  3.68219  0.188517  3.53057  0.19064   
1 1 1 18 11 31 o 2.52452  0.182195  6.42488      0.919909 5.31687      1.29252  7.56226      1.30954  2.28364  0.282997  2.73088  0.239766  
1 1 1 18 11 32 o 0.940515 0.348388  0.733806     0.869598 0.0292511    1.22092  1.45922      1.23887  0.893848 0.382744  1.22012  0.419477  
1 1 1 18 11 33 o 3.41069  0.145966  11.7192      0.995691 11.7315      1.42745  11.7075      1.38956  3.39891  0.209986  3.39677  0.204541  
1 1 1 18 11 34 o 1.98261  0.238646  4.01548      0.946287 4.91416      1.36177  3.17631      1.31591  2.17668  0.312808  1.70151  0.394115  
1 1 1 18 11 35 o 2.28186  0.210316  5.31183      0.959822 5.48028      1.3495   5.13937      1.36543  2.29623  0.293852  2.21964  0.307578  
1 1 1 18 11 36 o 0.95669  0.361044  0.776283     0.942986 -0.537833    1.26281  2.43267      1.41776  0.802255 0.364061  1.46516  0.444852  
1 1 1 18 11 37 o 0.887795 0.356506  0.50061      0.966104 0.582236     1.37215  0.420369     1.36048  1.01534  0.41847   0.981945 0.411485  
1 1 1 18 11 38 o 1.4632   0.347224  2.41575      1.00218  2.56146      1.4242   2.27284      1.41049  1.47364  0.445547  1.39661  0.447168  
1 1 1 18 11 39 o 2.39125  0.229119  5.97405      1.09576  5.83385      1.5468   6.11529      1.55249  2.30766  0.335145  2.36707  0.327935  
1 1 1 18 11 40 o 1.01144  0.376069  1.0469       1.01517  0.111241     1.43398  1.98696      1.43735  0.915802 0.403477  1.28376  0.450816  
1 1 1 18 11 41 o 1.58995  0.335375  2.96479      1.03322  2.56771      1.418    3.41423      1.50858  1.40418  0.448232  1.61653  0.450191  
1 1 1 18 11 42 o 0.834022 0.354688  0.421408     1.0359   0.175523     1.43601  0.688183     1.49577  0.881916 0.394732  0.968873 0.419418  
1 1 1 18 11 43 o 1.02963  0.377037  1.34508      1.01473  1.89978      1.42293  0.771095     1.44746  1.15697  0.441481  0.947119 0.41133   
1 1 1 18 11 44 o 0.841172 0.36239   0.705615     1.1065   0.599539     1.55902  0.813284     1.57069  0.879422 0.400521  0.907038 0.40911   
1 1 1 18 11 45 f 0.591065 0.289545  -1.0856      1.15685  -1.64282     1.63232  -0.523286    1.63978  0.652348 0.324112  0.726453 0.353558  
1 1 1 18 11 46 o 0.747092 0.347119  0.508976     1.24961  0.160135     1.76561  0.859087     1.76882  0.756328 0.367712  0.810963 0.387873  
1 1 1 18 12 0  o 31.0117  0.319378  963.336      19.8042  963.336      19.8042  963.336      19.8042  31.0246  0.225713  ?        ?         
1 1 1 18 12 1  o 5.26824  0.053559  27.7564      0.564323 27.7592      0.808019 27.7538      0.788487 5.26829  0.0766871 5.26779  0.0748403 
1 1 1 18 12 2  o 16.6794  0.126305  278.32       4.21338  276.004      5.90834  280.718      6.0102   16.6064  0.177893  16.7475  0.179436  
1 1 1 18 12 3  o 6.38076  0.0601112 40.7179      0.76711  39.964       1.05046  41.5792      1.12287  6.32114  0.0830911 6.44755  0.0870771 
1 1 1 18 12 4  o 9.76353  0.0748016 95.3401      1.46065  94.886       2.01053  95.8477      2.12563  9.73961  0.103214  9.7887   0.108576  
1 1 1 18 12 5  o 2.16393  0.078177  4.6833       0.338339 4.9148       0.462326 4.41636      0.496461 2.21663  0.104286  2.10114  0.118141  
1 1 1 18 12 6  o 2.40007  0.0774268 5.76118      0.37166  5.77285      0.52943  5.74984      0.521864 2.40231  0.110192  2.39753  0.108834  
1 1 1 18 12 7  o 7.83685  0.0659214 61.4225      1.03323  61.94        1.48639  60.9387      1.43727  7.86935  0.0944415 7.80552  0.0920677 
1 1 1 18 12 8  o 6.26402  0.0597017 39.2412      0.747945 38.8185      1.06239  39.6566      1.05317  6.22992  0.0852655 6.29683  0.0836273 
1 1 1 18 12 9  o 8.05801  0.0657953 64.9373      1.06036  64.2718      1.46259  65.6747      1.53951  8.01627  0.0912264 8.10323  0.0949938 
1 1 1 18 12 10 o 9.02522  0.0714752 81.4621      1.29016  81.1796      1.84322  81.7334      1.80646  9.0091   0.102298  9.03982  0.0999165 
1 1 1 18 12 11 o 21.0109  0.144772  441.606      6.08357  448.343      8.73307  435.255      8.47947  21.1668  0.206292  20.8557  0.203289  
1 1 1 18 12 12 o 3.08059  0.076716  9.49086      0.472661 9.53833      0.681188 9.44679      0.656389 3.08814  0.110291  3.0733   0.106789  
1 1 1 18 12 13 o 10.1324  0.0792693 102.676      1.60638  101.992      2.2881   103.341      2.25578  10.0981  0.113294  10.1647  0.110961  
1 1 1 18 12 14 o 18.5887  0.126797  345.624      4.714    348.711      6.71725  342.629      6.61709  18.6692  0.179902  18.5057  0.178785  
1 1 1 18 12 15 o 10.0487  0.0793973 100.987      1.59568  101.567      2.23707  100.386      2.27672  10.077   0.110999  10.0182  0.113629  
1 1 1 18 12 16 o 8.76618  0.0787016 76.8549      1.37982  78.3047      2.02341  75.5946      1.88651  8.84789  0.114344  8.69353  0.108501  
1 1 1 18 12 17 o 7.44925  0.079982  55.4987      1.19161  56.099       1.78968  55.0206      1.5971   7.48881  0.11949   7.41669  0.10767   
1 1 1 18 12 18 o 11.4     0.0992773 129.989      2.26353  130.699      3.1446   129.226      3.26079  11.4299  0.13756   11.3652  0.143456  
1 1 1 18 12 19 o 5.75158  0.0868373 33.0869      0.998904 31.7811      1.37819  34.5321      1.44986  5.63641  0.122258  5.87527  0.123387  
1 1 1 18 12 20 o 14.0203  0.113207  196.642      3.1744   194.618      4.37692  198.888      4.61077  13.9456  0.156929  14.0973  0.163534  
1 1 1 18 12 21 o 1.30195  0.346828  1.76193      0.919583 1.4474       1.25974  2.12072      1.34546  1.24746  0.423138  1.44451  0.432317  
1 1 1 18 12 22 o 2.38819  0.191411  5.71276      0.914253 6.40056      1.27181  4.97726      1.31518  2.52632  0.251712  2.2266   0.295333  
1 1 1 18 12 23 o 6.99562  0.0947428 48.9626      1.32557  49.068       1.83211  48.8468      1.92028  7.00163  0.130834  6.98549  0.137448  
1 1 1 18 12 24 o 1.32028  0.329073  1.82489      0.866847 2.1724       1.17855  1.41532      1.27947  1.44373  0.396298  1.23919  0.42627   
1 1 1 18 12 25 o 4.08183  0.114213  16.6791      0.932398 16.4457      1.33283  16.9028      1.30483  4.05082  0.164514  4.10703  0.158854  
1 1 1 18 12 26 f 2.89486  0.151122  8.40059      0.874953 7.76599      1.2349   9.04031      1.23986  2.77951  0.222143  2.99994  0.206647  
1 1 1 18 12 27 o 7.03765  0.0929805 49.5826      1.30873  48.4972      1.85628  50.6553      1.84541  6.95615  0.133427  7.10967  0.129782  
1 1 1 18 12 28 o 5.67684  0.102549  32.2774      1.16431  33.5391      1.679    31.1086      1.61597  5.78205  0.14519   5.56863  0.145096  
1 1 1 18 12 29 o 5.87062  0.0957583 34.5219      1.12432  35.1094      1.62207  33.9785      1.55982  5.91516  0.137111  5.81955  0.134015  
1 1 1 18 12 30 o 3.16681  0.145371  10.0733      0.920723 11.1946      1.31895  9.00753      1.28588  3.33223  0.197908  2.98684  0.215258  
1 1 1 18 12 31 o 7.18855  0.101082  51.8103      1.45327  50.7723      2.04917  52.8607      2.06136  7.10668  0.144172  7.25191  0.142125  
1 1 1 18 12 32 o 4.20019  0.119456  17.7177      1.00347  17.8941      1.43191  17.5475      1.40667  4.2118   0.169988  4.1711   0.168621  
1 1 1 18 12 33 o 2.0463   0.234356  4.27047      0.959124 5.28624      1.34418  3.21689      1.36897  2.26323  0.296961  1.71109  0.405675  
1 1 1 18 12 34 o 3.92828  0.128072  15.5308      1.00621  14.8981      1.42579  16.1585      1.42021  3.83386  0.185947  3.99505  0.177746  
1 1 1 18 12 35 o 2.08147  0.230761  4.44646      0.960641 5.05473      1.35212  3.82649      1.36507  2.1979   0.307595  1.86294  0.379537  
1 1 1 18 12 36 o 3.7909   0.144003  14.5408      1.0918   13.9467      1.48714  15.2354      1.60801  3.69191  0.201405  3.85556  0.208532  
1 1 1 18 12 37 o 2.77711  0.187034  7.88529      1.03883  7.55183      1.47325  8.21505      1.46504  2.68352  0.274499  2.80506  0.261142  
1 1 1 18 12 38 o 2.64227  0.199918  7.19188      1.05647  6.99052      1.50203  7.38903      1.48626  2.56233  0.293099  2.64063  0.281421  
1 1 1 18 12 39 o 1.60704  0.339035  2.92642      1.05575  2.39581      1.52919  3.40968      1.45936  1.40989  0.4662    1.68379  0.431413  
1 1 1 18 12 40 o 0.954711 0.367113  0.863374     0.990008 0.911481     1.40443  0.815857     1.39578  1.04048  0.425172  1.02113  0.421624  
1 1 1 18 12 41 o 0.977192 0.370943  0.990866     1.00025  2.07392      1.38569  -0.18746     1.44534  1.27412  0.443095  0.857538 0.389237  
1 1 1 18 12 42 o 0.597214 0.288522  -1.21994     1.04312  -2.40516     1.45349  0.0388162    1.4979   0.634031 0.313112  0.871183 0.395649  
1 1 1 18 12 43 o 0.646319 0.303422  -0.569174    1.00532  0.234281     1.39374  -1.4406      1.4515   0.851197 0.384572  0.688878 0.334442  
1 1 1 18 12 44 o 0.727443 0.335626  -0.0453384   1.1421   -0.576949    1.53236  0.619027     1.71304  0.749754 0.359177  0.894057 0.411944  
1 1 1 18 12 45 o 0.619471 0.30012   -0.712449    1.15821  -1.14555     1.62059  -0.260265    1.6559   0.675096 0.332725  0.740694 0.358851  
1 1 1 18 12 46 o 0.754189 0.351924  0.665077     1.30208  0.780058     1.82339  0.545433     1.85999  0.784556 0.379448  0.769715 0.374986  
1 1 1 18 13 0  o 7.84026  0.109049  61.5147      1.70919  61.5147      1.70919  61.5147      1.70919  7.84169  0.0770782 ?        ?         
1 1 1 18 13 1  o 6.52115  0.0590255 42.5292      0.769828 41.7469      1.05634  43.4152      1.12423  6.46063  0.0817518 6.5884   0.0853192 
1 1 1 18 13 2  o 9.65679  0.0806106 93.269       1.55688  93.5392      2.24429  93.0184      2.16156  9.66989  0.116045  9.64305  0.112079  
1 1 1 18 13 3  o 6.31958  0.0634615 39.9411      0.8021   40.4605      1.18613  39.5035      1.08879  6.36015  0.0932472 6.28458  0.0866239 
1 1 1 18 13 4  o 10.9751  0.0891894 120.476      1.95772  118.152      2.71637  122.988      2.82403  10.8676  0.124975  11.0877  0.127349  
1 1 1 18 13 5  o 15.4539  0.121193  238.908      3.7458   237.928      5.2752   239.904      5.31982  15.4194  0.171057  15.4832  0.171793  
1 1 1 18 13 6  o 10.626   0.0976834 112.937      2.07596  110.303      2.82638  116.022      3.05911  10.5002  0.134587  10.7687  0.142037  
1 1 1 18 13 7  o 10.1661  0.0772988 103.364      1.57165  105.749      2.35119  101.437      2.11313  10.2819  0.114337  10.0703  0.104919  
1 1 1 18 13 8  o 8.83448  0.0690063 78.0559      1.21927  77.7996      1.70901  78.3215      1.74002  8.81952  0.0968879 8.84902  0.0983173 
1 1 1 18 13 9  o 24.7128  0.174493  611.07       8.6244   610.729      12.6445  611.367      11.7934  24.6975  0.255988  24.7124  0.238612  
1 1 1 18 13 10 o 7.26958  0.0647665 52.8506      0.941651 53.5207      1.35935  52.2323      1.30567  7.31525  0.0929118 7.22669  0.0903365 
1 1 1 18 13 11 o 15.9046  0.110489  253.002      3.51458  256.953      4.98877  249.11       4.95217  16.0268  0.155639  15.7802  0.15691   
1 1 1 18 13 12 f 13.7849  0.0968966 190.049      2.67142  191.686      3.8092   188.465      3.74747  13.8431  0.137584  13.7263  0.136507  
1 1 1 18 13 13 o 11.9047  0.0871724 141.739      2.07553  141.883      2.9686   141.601      2.90297  11.91    0.124626  11.8983  0.121991  
1 1 1 18 13 14 o 11.2955  0.08475   127.601      1.91458  126.86       2.72719  128.321      2.68848  11.262   0.12108   11.3267  0.118679  
1 1 1 18 13 15 o 8.37648  0.0725229 70.1719      1.21497  72.0359      1.74736  68.4272      1.69052  8.4866   0.102948  8.27131  0.102192  
1 1 1 18 13 16 o 20.485   0.146357  419.815      5.99624  416.535      8.43106  423.173      8.52972  20.4004  0.20664   20.5622  0.207413  
1 1 1 18 13 17 f 11.5518  0.0890435 133.468      2.05723  132.77       2.8957   134.179      2.92323  11.5206  0.125675  11.5816  0.126202  
1 1 1 18 13 18 o 12.9024  0.112131  166.519      2.89351  166.865      4.08032  166.17       4.10388  12.9139  0.157982  12.8869  0.159227  
1 1 1 18 13 19 o 11.8436  0.0940533 140.304      2.22786  138.094      3.06877  142.767      3.2395   11.7487  0.130601  11.9456  0.135594  
1 1 1 18 13 20 o 17.2904  0.137733  299.13       4.76293  297.736      6.68561  300.566      6.78714  17.2452  0.19384   17.3268  0.195857  
1 1 1 18 13 21 o 1.90967  0.226373  3.6538       0.864598 3.70257      1.20585  3.60219      1.24034  1.92067  0.313912  1.8641   0.34566   
1 1 1 18 13 22 o 5.91907  0.102774  35.0529      1.21666  38.2573      1.68089  31.5266      1.76329  6.18254  0.135939  5.61157  0.157112  
1 1 1 18 13 23 f 3.34529  0.13806   11.2031      0.923701 9.68401      1.24088  13.091       1.38331  3.10839  0.199602  3.61439  0.191362  
1 1 1 18 13 24 o 2.67134  0.168843  7.15007      0.902072 5.85882      1.19975  8.82946      1.36823  2.41531  0.248364  2.96594  0.230658  
1 1 1 18 13 25 o 4.68288  0.103832  21.9502      0.972463 22.3916      1.39768  21.5361      1.35391  4.7274   0.147827  4.63632  0.146011  
1 1 1 18 13 26 o 3.48569  0.130584  12.1728      0.910352 13.0518      1.31234  11.3575      1.26389  3.60617  0.181958  3.36357  0.187879  
1 1 1 18 13 27 o 1.12122  0.333374  1.29259      0.801841 0.938249     1.14661  1.63173      1.12175  1.07999  0.400049  1.26828  0.397869  
1 1 1 18 13 28 o 4.01102  0.117961  16.1234      0.94629  16.8219      1.36306  15.4736      1.31476  4.09247  0.166533  3.92493  0.167488  
1 1 1 18 13 29 o 1.49349  0.287264  2.33828      0.827434 1.80366      1.20132  2.82082      1.14132  1.32203  0.411143  1.62871  0.359984  
1 1 1 18 13 30 o 1.12703  0.342506  1.31288      0.840186 1.55673      1.22254  1.09463      1.1566   1.25188  0.416844  1.11574  0.403121  
1 1 1 18 13 31 o 3.66618  0.141451  13.5132      1.03717  12.9687      1.44841  14.0862      1.48587  3.58173  0.202194  3.73349  0.198992  
1 1 1 18 13 32 o 0.660746 0.298408  -0.408177    0.838345 -0.688441    1.16523  -0.107417    1.20708  0.757424 0.345308  0.863677 0.375366  
1 1 1 18 13 33 o 2.0063   0.234653  4.10497      0.941569 3.86544      1.33398  4.34278      1.32919  1.89281  0.365423  2.04518  0.324957  
1 1 1 18 13 34 o 1.87307  0.23578   3.58595      0.883264 5.05845      1.27     2.20644      1.22925  2.21302  0.286938  1.41929  0.410038  
1 1 1 18 13 35 o 3.58703  0.144672  13.0017      1.03788  12.9932      1.45195  13.0106      1.48416  3.56796  0.20347   3.56874  0.207939  
1 1 1 18 13 36 o 0.749199 0.330563  -0.172236    0.967371 -1.72983     1.31041  1.69321      1.43408  0.682097 0.328062  1.27211  0.449941  
1 1 1 18 13 37 o 2.17506  0.231885  4.89898      1.00872  4.70799      1.42891  5.08871      1.42421  2.09034  0.341789  2.18001  0.326652  
1 1 1 18 13 38 o 2.34114  0.221778  5.68572      1.03843  5.17076      1.46752  6.20214      1.4696   2.18204  0.336273  2.40655  0.305333  
1 1 1 18 13 39 o 0.995474 0.377083  0.930026     1.03182  1.02173      1.47806  0.842854     1.44108  1.09745  0.440851  1.05612  0.430979  
1 1 1 18 13 40 o 2.51718  0.206218  6.64617      1.03817  4.62592      1.47216  8.64481      1.46427  1.96621  0.388183  2.83313  0.258419  
1 1 1 18 13 41 o 2.13527  0.231372  4.88957      0.988085 5.02973      1.37889  4.74163      1.4166   2.09377  0.329284  1.98265  0.370989  
1 1 1 18 13 42 f 0.657301 0.308306  -0.620532    1.02965  -0.0070512   1.4341   -1.27325     1.47925  0.846312 0.385093  0.722795 0.347861  
1 1 1 18 13 43 o 0.720522 0.330739  -0.174357    1.09254  0.544791     1.47623  -1.04529     1.62456  0.897596 0.401025  0.754886 0.363609  
1 1 1 18 13 44 o 1.99327  0.316437  5.08169      1.26149  6.20138      1.6389   3.45392      1.97605  2.04685  0.414817  1.27394  0.510571  
1 1 1 18 13 45 o 0.628036 0.302375  -0.496584    1.12042  0.348285     1.6279   -1.25704     1.54443  0.780782 0.373117  0.650104 0.321461  
1 1 1 18 13 46 o 0.738602 0.346265  0.740337     1.29288  -0.253027    1.75327  1.92432      1.91411  0.686265 0.340106  0.837202 0.401157  
1 1 1 18 14 0  o 7.89512  0.0894796 62.3632      1.4125   62.3632      1.4125   62.3632      1.4125   7.89608  0.0632548 ?        ?         
1 1 1 18 14 1  o 17.7977  0.12777   316.885      4.54801  322.878      6.54298  311.282      6.32621  17.9613  0.182141  17.6361  0.179355  
1 1 1 18 14 2  o 17.353   0.127909  301.249      4.43921  301.551      6.28137  300.948      6.27461  17.3581  0.180935  17.3408  0.180921  
1 1 1 18 14 3  o 8.77548  0.0737144 77.0193      1.29376  77.2705      1.85951  76.7836      1.80118  8.78915  0.105785  8.76148  0.10279   
1 1 1 18 14 4  o 11.3919  0.0908637 129.802      2.07022  128.776      2.94663  130.801      2.90921  11.3456  0.129857  11.4346  0.127211  
1 1 1 18 14 5  o 13.2657  0.0988332 176.018      2.62218  173.403      3.70435  178.646      3.71229  13.1651  0.140688  13.3627  0.138905  
1 1 1 18 14 6  o 9.17771  0.0759517 84.2416      1.39413  86.7548      2.10357  82.2731      1.8617   9.31282  0.112939  9.06932  0.102637  
1 1 1 18 14 7  o 16.2067  0.113491  262.729      3.67863  262.76       5.14631  262.698      5.26031  16.2054  0.158784  16.2033  0.162322  
1 1 1 18 14 8  o 14.1461  0.0996612 200.149      2.81963  200.88       4.0914   199.488      3.89124  14.1704  0.144365  14.1214  0.137778  
1 1 1 18 14 9  o 18.1806  0.129951  330.631      4.72519  332.798      6.80433  328.613      6.56687  18.2372  0.186551  18.1225  0.18118   
1 1 1 18 14 10 o 35.0428  0.235403  1229.06      16.4984  1249.41      23.4537  1209.12      23.2126  35.3162  0.332053  34.7417  0.334074  
1 1 1 18 14 11 o 18.5684  0.126362  344.866      4.69269  347.309      6.68147  342.488      6.59236  18.6318  0.179303  18.5021  0.178152  
1 1 1 18 14 12 o 12.1079  0.0882742 146.619      2.13764  148.723      3.02581  144.523      3.02035  12.1938  0.124072  12.0204  0.125635  
1 1 1 18 14 13 o 5.33908  0.0655531 28.5076      0.699986 28.9366      0.973065 28.0475      1.0077   5.37894  0.0904514 5.29562  0.0951449 
1 1 1 18 14 14 o 5.2154   0.0661925 27.2023      0.690441 26.8624      0.96955  27.552       0.983459 5.18252  0.0935404 5.24862  0.0936874 
1 1 1 18 14 15 o 22.5245  0.153817  507.578      6.92933  511.208      9.96674  504.182      9.6405   22.5996  0.220507  22.4443  0.214765  
1 1 1 18 14 16 o 18.3951  0.132597  338.503      4.87829  340.583      7.11116  336.655      6.70467  18.4478  0.192737  18.3418  0.18277   
1 1 1 18 14 17 o 7.93306  0.0773856 62.9416      1.22781  62.7437      1.71059  63.152       1.76338  7.92008  0.10799   7.94575  0.110964  
1 1 1 18 14 18 o 14.7147  0.123839  216.602      3.64451  217.113      5.15445  216.091      5.15377  14.7292  0.174973  14.6945  0.175364  
1 1 1 18 14 19 o 4.98817  0.0892446 24.8873      0.890335 23.9096      1.20946  26.0439      1.31546  4.88871  0.123699  5.10214  0.128913  
1 1 1 18 14 20 o 6.13492  0.0978191 37.6488      1.20023  38.5793      1.67885  36.6759      1.71653  6.20942  0.135186  6.05413  0.141765  
1 1 1 18 14 21 o 9.04862  0.0894047 81.904       1.61798  82.056       2.25011  81.7413      2.32822  9.05562  0.124238  9.03802  0.128802  
1 1 1 18 14 22 o 6.38195  0.0995661 40.7495      1.27085  39.8248      1.72192  41.8557      1.88343  6.30775  0.136493  6.46616  0.145637  
1 1 1 18 14 23 f 10.3484  0.100014  107.154      2.06998  109.09       2.75926  104.662      3.13056  10.4391  0.13216   10.2232  0.15311   
1 1 1 18 14 24 o 11.5142  0.105019  132.685      2.41842  135.854      3.41334  129.49       3.42704  11.6464  0.146541  11.3698  0.150708  
1 1 1 18 14 25 o 3.32817  0.134164  11.0959      0.893042 10.1598      1.32841  11.8679      1.2063   3.1808   0.208818  3.43992  0.175339  
1 1 1 18 14 26 o 2.49616  0.167082  6.25064      0.834127 7.12525      1.16748  5.33862      1.19218  2.66199  0.219286  2.30172  0.258976  
1 1 1 18 14 27 o 3.9029   0.11195   15.2592      0.873856 15.0678      1.23672  15.4501      1.23492  3.87484  0.159583  3.92387  0.15736   
1 1 1 18 14 28 o 2.04674  0.206367  4.21854      0.844758 3.70611      1.21491  4.69818      1.1754   1.90913  0.318186  2.15424  0.272811  
1 1 1 18 14 29 o 4.47331  0.109443  20.058       0.979145 21.0045      1.40714  19.1695      1.36334  4.5724   0.153874  4.36781  0.156067  
1 1 1 18 14 30 o 4.34549  0.120188  18.9454      1.04456  20.5178      1.57798  17.719       1.39359  4.51404  0.174786  4.19629  0.166051  
1 1 1 18 14 31 o 3.70527  0.137198  13.8013      1.01671  13.5717      1.42068  14.0423      1.45566  3.66494  0.19382   3.72766  0.195251  
1 1 1 18 14 32 o 2.3127   0.184953  5.40748      0.855485 5.13661      1.22578  5.66471      1.19451  2.23919  0.273709  2.35547  0.25356   
1 1 1 18 14 33 o 4.82058  0.121583  23.3609      1.1722   23.9127      1.68418  22.8425      1.63251  4.86379  0.173135  4.75413  0.171693  
1 1 1 18 14 34 o 1.43007  0.312852  2.20261      0.870207 3.46564      1.25879  1.04648      1.20434  1.78527  0.365153  1.09706  0.409271  
1 1 1 18 14 35 o 2.32485  0.210367  5.52618      0.978146 7.06725      1.39746  4.046        1.36957  2.61149  0.267561  1.9193   0.369995  
1 1 1 18 14 36 o 0.976235 0.367359  0.829098     0.974447 0.279937     1.31638  1.4948       1.44935  0.947567 0.401269  1.22667  0.450466  
1 1 1 18 14 37 o 0.791322 0.340699  0.0591438    0.976822 0.804805     1.37788  -0.694272    1.38502  1.05461  0.424816  0.815757 0.373588  
1 1 1 18 14 38 o 1.88744  0.264582  3.75341      0.998764 4.05329      1.41121  3.45245      1.41372  1.88115  0.38834   1.71746  0.415492  
1 1 1 18 14 39 o 0.737306 0.329437  -0.224431    0.996394 -1.09046     1.39824  0.669076     1.42025  0.761113 0.357408  1.01804  0.423122  
1 1 1 18 14 40 o 0.73888  0.329877  -0.14422     0.997278 0.288479     1.4034   -0.585612    1.41743  0.925114 0.403418  0.808598 0.373385  
1 1 1 18 14 41 o 1.15468  0.368161  1.62854      0.956837 2.24721      1.37053  1.04023      1.33646  1.30667  0.441352  1.02669  0.416391  
1 1 1 18 14 42 o 0.691247 0.319552  -0.385182    1.04193  0.153532     1.42207  -1.00957     1.53098  0.86199  0.389007  0.757449 0.361937  
1 1 1 18 14 43 o 0.82174  0.358994  0.472841     1.11556  0.0993268    1.50553  0.927593     1.66121  0.837175 0.385907  0.960473 0.427362  
1 1 1 18 14 44 f 0.79805  0.358263  0.427954     1.19076  0.181254     1.53452  0.80133      1.88783  0.81734  0.381646  0.917176 0.426339  
1 1 1 18 14 45 o 0.64858  0.310643  -0.298126    1.14467  -0.937731    1.62173  0.336884     1.61589  0.676282 0.333197  0.770186 0.368935  
1 1 1 18 14 46 o 0.661759 0.319815  0.0950578    1.28589  0.0286043    1.74751  0.173528     1.89895  0.689616 0.341227  0.705528 0.350403  
1 1 1 18 15 0  o 19.8159  0.201184  392.985      7.97144  392.985      7.97144  392.985      7.97144  19.8199  0.142214  ?        ?         
1 1 1 18 15 1  o 10.376   0.0770545 107.677      1.59904  106.432      2.21523  109.032      2.31054  10.3151  0.107378  10.4403  0.110655  
1 1 1 18 15 2  o 7.67349  0.0608421 58.8876      0.933742 59.0237      1.3231   58.7526      1.31794  7.68199  0.0861167 7.66434  0.0859788 
1 1 1 18 15 3  o 11.7866  0.0899929 138.951      2.12142  140.05       3.02251  137.884      2.97828  11.832   0.127726  11.7401  0.126842  
1 1 1 18 15 4  o 6.66888  0.0617302 44.478       0.823342 44.1053      1.15323  44.8654      1.17587  6.64058  0.0868317 6.69755  0.0877835 
1 1 1 18 15 5  o 14.7162  0.109056  216.625      3.20977  212.777      4.51749  220.548      4.56142  14.5828  0.154891  14.8468  0.153617  
1 1 1 18 15 6  o 14.8877  0.107718  221.698      3.20734  223.031      4.6114   220.449      4.46393  14.9304  0.15443   14.8439  0.150362  
1 1 1 18 15 7  o 5.20408  0.060454  27.0843      0.629214 26.0824      0.86675  28.2007      0.914887 5.10673  0.0848635 5.31005  0.0861468 
1 1 1 18 15 8  o 8.55382  0.0673312 73.1736      1.15188  73.1119      1.63313  73.2347      1.62491  8.54986  0.0955061 8.55704  0.0949456 
1 1 1 18 15 9  o 15.0629  0.112279  226.937      3.38251  227.586      4.74196  226.266      4.82634  15.0829  0.157196  15.039   0.160461  
1 1 1 18 15 10 o 8.01248  0.0657646 64.2039      1.05387  63.4881      1.49594  64.9092      1.48493  7.96742  0.0938785 8.05612  0.0921617 
1 1 1 18 15 11 o 29.6924  0.198022  882.148      11.7595  879.647      16.5896  884.673      16.6716  29.6414  0.279838  29.7259  0.280423  
1 1 1 18 15 12 o 12.1022  0.0888453 146.481      2.15045  145.623      3.02708  147.356      3.05552  12.066   0.125439  12.1376  0.12587   
1 1 1 18 15 13 o 12.4186  0.0893977 154.239      2.22038  155.708      3.16145  152.81       3.11916  12.4767  0.126694  12.3601  0.126179  
1 1 1 18 15 14 o 2.47679  0.106406  6.13567      0.527091 5.66393      0.741467 6.61761      0.749434 2.37939  0.15581   2.57199  0.145691  
1 1 1 18 15 15 o 6.63755  0.0821763 44.063       1.0909   39.4205      1.57172  48.3784      1.51535  6.27759  0.125185  6.95463  0.108946  
1 1 1 18 15 16 o 5.00316  0.0792583 25.0349      0.793083 24.4458      1.14608  25.5762      1.0986   4.94356  0.115917  5.05666  0.108629  
1 1 1 18 15 17 o 13.144   0.106983  172.809      2.81235  172.673      3.867    172.961      4.09755  13.1373  0.147177  13.1479  0.155826  
1 1 1 18 15 18 o 9.75129  0.0906978 95.1075      1.76884  93.4397      2.494    96.7957      2.50911  9.66435  0.129031  9.83642  0.127542  
1 1 1 18 15 19 o 19.6652  0.139584  386.941      5.48991  384.73       7.89046  389.014      7.64324  19.6029  0.201257  19.7126  0.193867  
1 1 1 18 15 20 o 5.9761   0.0999014 35.726       1.19404  35.6054      1.67062  35.8521      1.70724  5.965    0.140035  5.98556  0.142613  
1 1 1 18 15 21 o 11.2718  0.10825   127.12       2.44036  126.414      3.53373  127.765      3.37417  11.2371  0.157234  11.2976  0.14933   
1 1 1 18 15 22 o 15.2283  0.121024  232.081      3.68598  226.532      4.99957  238.69       5.45576  15.0399  0.16621   15.4368  0.176713  
1 1 1 18 15 23 o 12.0614  0.109     145.587      2.62938  146.632      3.58907  144.377      3.86303  12.1006  0.148301  12.0057  0.160883  
1 1 1 18 15 24 o 2.88031  0.149634  8.31074      0.861983 9.58345      1.23471  7.10068      1.20393  3.09083  0.199737  2.65931  0.226362  
1 1 1 18 15 25 o 1.30971  0.307051  1.80106      0.791168 2.78882      1.16616  0.958689     1.07692  1.62703  0.367085  1.07044  0.388766  
1 1 1 18 15 26 o 2.47454  0.16687   6.1439       0.825852 6.44659      1.14003  5.80966      1.19799  2.53126  0.22519   2.4013   0.249446  
1 1 1 18 15 27 f 4.76877  0.100191  22.7742      0.955576 24.4308      1.36201  21.1683      1.34101  4.93591  0.137969  4.59377  0.14596   
1 1 1 18 15 28 o 2.98341  0.148332  8.9348       0.885072 8.94002      1.23736  8.92934      1.26652  2.97876  0.207696  2.97643  0.212758  
1 1 1 18 15 29 o 4.02814  0.119506  16.273       0.96277  15.7841      1.34166  16.7921      1.38238  3.96143  0.16934   4.086    0.169161  
1 1 1 18 15 30 o 5.34712  0.10391   28.6653      1.11124  28.9275      1.61171  28.4277      1.53422  5.36402  0.150233  5.31859  0.144232  
1 1 1 18 15 31 o 4.13992  0.118479  17.2084      0.980984 17.0094      1.39705  17.4018      1.37779  4.10727  0.17007   4.15522  0.165791  
1 1 1 18 15 32 o 3.92349  0.125266  15.4751      0.982957 15.1556      1.38547  15.7988      1.3948   3.872    0.178909  3.9539   0.176383  
1 1 1 18 15 33 o 1.07427  0.352095  1.17307      0.872242 1.00376      1.23807  1.33993      1.22905  1.09728  0.413814  1.17914  0.41659   
1 1 1 18 15 34 o 3.44649  0.140834  11.9766      0.970762 11.8113      1.40812  12.1263      1.34013  3.40624  0.206697  3.45502  0.19394   
1 1 1 18 15 35 o 0.635059 0.29418   -0.674215    0.888914 -1.68393     1.28623  0.248979     1.22989  0.679879 0.326514  0.921271 0.388884  
1 1 1 18 15 36 o 3.22084  0.163175  10.5405      1.05112  10.9776      1.43786  10.0388      1.54046  3.26559  0.220152  3.1111   0.247575  
1 1 1 18 15 37 o 0.661702 0.306019  -0.652364    0.956821 -0.994623    1.36076  -0.31766     1.34566  0.76933  0.359291  0.851285 0.381539  
1 1 1 18 15 38 o 0.758807 0.332735  -0.0697564   0.965698 -0.141077    1.37135  0.000401137  1.36013  0.881087 0.390542  0.89959  0.394672  
1 1 1 18 15 39 o 1.14322  0.375894  1.48302      0.994141 3.36284      1.38844  -0.494602    1.4241   1.67056  0.416527  0.836355 0.381414  
1 1 1 18 15 40 o 1.81507  0.282032  3.61562      1.02381  2.91688      1.44655  4.31696      1.44923  1.50183  0.448021  1.88115  0.397489  
1 1 1 18 15 41 o 1.75033  0.315066  3.58097      1.06274  3.92621      1.49856  3.23168      1.50735  1.72487  0.434349  1.53696  0.457102  
1 1 1 18 15 42 o 1.91155  0.272874  4.16505      1.04323  2.61207      1.47318  5.72719      1.47751  1.33     0.457412  2.17     0.340441  
1 1 1 18 15 43 o 0.641525 0.307632  -0.843851    1.13108  0.570728     1.53461  -2.52626     1.67359  0.890141 0.40278   0.655006 0.325811  
1 1 1 18 15 44 o 0.696976 0.326681  -0.216387    1.1485   0.9735       1.51469  -1.82579     1.76159  0.903051 0.404766  0.691258 0.342175  
1 1 1 18 15 45 f 0.666516 0.316886  -0.139553    1.14779  -1.27416     1.57442  1.14749      1.67686  0.648836 0.321736  0.850338 0.397791  
1 1 1 18 16 0  o 22.5132  0.222144  507.286      10.0001  507.286      10.0001  507.286      10.0001  22.5181  0.157028  ?        ?         
1 1 1 18 16 1  o 2.01505  0.0803071 4.06103      0.323645 3.46019      0.447393 4.72065      0.468762 1.85984  0.120277  2.1724   0.10789   
1 1 1 18 16 2  o 4.09876  0.0504969 16.8008      0.413949 16.3501      0.59101  17.2349      0.579971 4.04327  0.0730857 4.15125  0.0698549 
1 1 1 18 16 3  o 4.22637  0.0561745 17.8635      0.474828 17.9805      0.68134  17.753       0.66209  4.24002  0.0803462 4.21312  0.0785748 
1 1 1 18 16 4  f 22.7473  0.173261  517.784      7.88245  513.811      11.2139  521.664      11.0822  22.6518  0.247528  22.8248  0.242766  
1 1 1 18 16 5  o 9.51785  0.0797418 90.6014      1.51794  90.1706      2.1443   91.0341      2.1491   9.49455  0.112923  9.53992  0.112637  
1 1 1 18 16 6  o 14.1168  0.106569  199.326      3.00882  202.042      4.31019  196.744      4.20209  14.211   0.15165   14.0235  0.149823  
1 1 1 18 16 7  o 11.9436  0.0935086 142.671      2.23366  143.388      3.22261  142.008      3.09877  11.9726  0.134583  11.9149  0.130037  
1 1 1 18 16 8  o 7.27983  0.0633539 52.9994      0.922412 52.4889      1.28169  53.5479      1.32855  7.24446  0.0884598 7.31715  0.0907833 
1 1 1 18 16 9  o 11.2763  0.086827  127.168      1.95817  130.128      2.82438  124.429      2.71726  11.406   0.123811  11.1535  0.121812  
1 1 1 18 16 10 o 11.7206  0.0841098 137.387      1.97164  138.38       2.80625  136.419      2.77072  11.7622  0.119291  11.6786  0.118624  
1 1 1 18 16 11 o 17.8871  0.121839  320.02       4.35868  320.414      6.17341  319.629      6.15485  17.8961  0.172479  17.8741  0.172172  
1 1 1 18 16 12 o 2.88913  0.0838486 8.34798      0.4845   9.47709      0.691566 7.2596       0.678979 3.07819  0.112333  2.69404  0.126015  
1 1 1 18 16 13 o 6.64905  0.0647552 44.213       0.861122 44.9757      1.2339   43.4887      1.20233  6.70592  0.0920012 6.59414  0.0911665 
1 1 1 18 16 14 o 12.2569  0.0896984 150.255      2.19886  149.836      3.10107  150.68       3.11831  12.2389  0.126689  12.2733  0.127036  
1 1 1 18 16 15 o 14.2083  0.101416  201.918      2.8819   199.533      4.03348  204.406      4.1191   14.1226  0.142802  14.294   0.144085  
1 1 1 18 16 16 o 22.0125  0.152743  484.796      6.72453  483.201      9.47621  486.414      9.544    21.9707  0.215655  22.0436  0.21648   
1 1 1 18 16 17 o 9.2926   0.0901346 86.3691      1.67517  86.9026      2.37017  85.8366      2.36793  9.32035  0.12715   9.263    0.127816  
1 1 1 18 16 18 o 1.73625  0.21108   3.01817      0.732973 3.2768       1.03378  2.75672      1.0394   1.80819  0.285861  1.62862  0.330617  
1 1 1 18 16 19 o 2.70714  0.154741  7.33402      0.837813 6.37155      1.17831  8.31816      1.1915   2.52207  0.233599  2.88223  0.206697  
1 1 1 18 16 20 o 13.1475  0.108201  172.932      2.84514  175.065      4.02503  170.803      4.02225  13.2254  0.152171  13.0633  0.153953  
1 1 1 18 16 21 o 8.25627  0.09363   68.1943      1.54607  67.7277      2.09479  68.7525      2.29136  8.22651  0.127319  8.28795  0.138234  
1 1 1 18 16 22 o 5.11704  0.0988393 26.1986      1.01153  24.7455      1.44406  27.5985      1.41735  4.97152  0.145234  5.25072  0.134967  
1 1 1 18 16 23 o 4.45185  0.108525  19.8348      0.966279 20.0438      1.33178  19.6025      1.40414  4.47363  0.148848  4.42365  0.158708  
1 1 1 18 16 24 o 4.28314  0.103425  18.3621      0.885965 17.4151      1.21931  19.4213      1.28952  4.16931  0.146225  4.40291  0.14644   
1 1 1 18 16 25 o 5.42946  0.0969518 29.509       1.05279  31.223       1.53167  27.9739      1.44948  5.58211  0.137194  5.2837   0.137165  
1 1 1 18 16 26 o 4.46045  0.104318  19.9234      0.930614 19.1889      1.29426  20.7098      1.33906  4.37436  0.147937  4.54446  0.147328  
1 1 1 18 16 27 o 3.72594  0.118364  13.912       0.882038 14.7086      1.25967  13.1456      1.23546  3.82729  0.164564  3.61766  0.170755  
1 1 1 18 16 28 o 1.69168  0.230665  2.88951      0.78042  3.37788      1.08549  2.36698      1.12282  1.82319  0.297689  1.49061  0.376341  
1 1 1 18 16 29 o 1.70834  0.23956   2.9535       0.818499 2.44674      1.14067  3.49136      1.17516  1.51262  0.377776  1.82007  0.335414  
1 1 1 18 16 30 o 2.6094   0.175143  6.86153      0.914035 7.03783      1.27654  6.67605      1.30936  2.63356  0.242361  2.56291  0.255444  
1 1 1 18 16 31 o 4.74025  0.109933  22.551       1.04222  22.86        1.49595  22.2595      1.45283  4.76382  0.157012  4.70137  0.154511  
1 1 1 18 16 32 o 4.50118  0.118339  20.3608      1.06533  19.2203      1.50704  21.5         1.50616  4.36101  0.172786  4.61501  0.16318   
1 1 1 18 16 33 o 2.03502  0.216655  4.21535      0.881793 3.81951      1.26276  4.59207      1.2319   1.88472  0.348085  2.10879  0.292086  
1 1 1 18 16 34 o 0.777918 0.330855  0.0806697    0.901486 -0.328272    1.2942   0.466083     1.25642  0.849536 0.377629  0.976363 0.401087  
1 1 1 18 16 35 o 0.993188 0.35944   0.922604     0.919866 1.23724      1.31103  0.617518     1.29097  1.14972  0.427393  1.00803  0.409071  
1 1 1 18 16 36 o 1.78498  0.280455  3.34134      1.00121  5.07713      1.42675  1.65726      1.40534  2.18147  0.327017  1.25501  0.445257  
1 1 1 18 16 37 o 1.50041  0.333222  2.51825      0.973639 2.30284      1.37632  2.73405      1.37755  1.40499  0.4407    1.52406  0.432076  
1 1 1 18 16 38 o 0.738446 0.326747  -0.14635     0.954317 0.61263      1.36177  -0.878811    1.33777  1.00146  0.415156  0.769622 0.35819   
1 1 1 18 16 39 o 1.03709  0.368648  1.15491      0.963761 0.652617     1.37641  1.63804      1.34991  0.995142 0.415256  1.20083  0.435344  
1 1 1 18 16 40 o 1.37402  0.365286  2.28004      1.02137  2.4233       1.45625  2.14133      1.43289  1.36719  0.454945  1.29776  0.45065   
1 1 1 18 16 41 o 0.95428  0.37421   0.944656     1.03917  2.16276      1.47449  -0.257435    1.46477  1.2624   0.455254  0.83741  0.383792  
1 1 1 18 16 42 o 0.597742 0.288119  -1.09359     1.02442  -0.389482    1.42928  -1.83742     1.46905  0.791737 0.369161  0.670008 0.327763  
1 1 1 18 16 43 o 0.889308 0.370371  0.91963      1.09164  0.916937     1.50029  0.922659     1.59136  0.925292 0.409521  0.933087 0.41664   
1 1 1 18 16 44 f 1.01315  0.394255  1.71413      1.14893  2.61781      1.51695  0.49826      1.75957  1.14711  0.451454  0.843997 0.397621  
1 1 1 18 16 45 o 0.523601 0.2618    -1.93391     1.15382  -2.98353     1.64283  -0.912133    1.62089  0.578717 0.292563  0.682409 0.336112  
1 1 1 18 17 0  o 16.1921  0.158381  262.333      5.12794  262.333      5.12794  262.333      5.12794  16.1944  0.111964  ?        ?         
1 1 1 18 17 1  o 23.1211  0.156074  534.871      7.21718  538.61       10.1682  531.075      10.2455  23.1955  0.219185  23.0323  0.222416  
1 1 1 18 17 2  o 9.32616  0.0691794 86.9863      1.29036  85.7581      1.80352  88.2743      1.84693  9.25961  0.0973864 9.39445  0.0982992 
1 1 1 18 17 3  o 8.22654  0.0684629 67.6825      1.12643  67.8141      1.57349  67.5443      1.61327  8.23414  0.0955466 8.2177   0.0981583 
1 1 1 18 17 4  o 13.9836  0.10822   195.585      3.02659  194.167      4.25388  197.038      4.30712  13.9312  0.152675  14.0337  0.153456  
1 1 1 18 17 5  f 11.4687  0.0905727 131.552      2.07751  130.293      2.87677  132.924      3.00341  11.4129  0.126031  11.5274  0.130272  
1 1 1 18 17 6  o 18.4835  0.135186  341.746      4.99741  342.292      6.98784  341.174      7.14974  18.4954  0.188908  18.4649  0.193604  
1 1 1 18 17 7  o 11.6754  0.0897027 136.333      2.09463  139.093      3.05648  133.889      2.87624  11.7921  0.129598  11.5696  0.124302  
1 1 1 18 17 8  o 18.0545  0.122275  326.038      4.41522  326.422      6.25214  325.656      6.23602  18.063   0.173064  18.0419  0.172821  
1 1 1 18 17 9  o 10.5124  0.0835692 110.523      1.75703  110.681      2.51945  110.373      2.45158  10.5194  0.119753  10.5048  0.116689  
1 1 1 18 17 10 o 7.8047   0.0651375 60.9172      1.01676  60.5122      1.44743  61.3117      1.42858  7.77845  0.0930409 7.82969  0.0912287 
1 1 1 18 17 11 o 12.6428  0.0938992 159.862      2.3743   161.684      3.39105  158.11       3.32546  12.7138  0.133361  12.5725  0.132251  
1 1 1 18 17 12 f 5.67948  0.0634109 32.2586      0.720283 30.5864      1.01042  33.9863      1.02705  5.53013  0.0913559 5.82941  0.0880923 
1 1 1 18 17 13 o 15.2676  0.106433  233.147      3.24995  237.422      4.6689   229.128      4.52666  15.4053  0.151535  15.134   0.149553  
1 1 1 18 17 14 o 10.763   0.0822502 115.859      1.77052  117.327      2.52576  114.44       2.48259  10.8303  0.116607  10.6962  0.11605   
1 1 1 18 17 15 o 9.49334  0.0780493 90.1352      1.4819   90.8353      2.1105   89.4543      2.08125  9.52952  0.110735  9.45681  0.11004   
1 1 1 18 17 16 o 21.712   0.156265  471.67       6.78568  470.412      9.46477  473          9.73368  21.6774  0.21831   21.7363  0.223904  
1 1 1 18 17 17 o 14.5834  0.114703  212.747      3.34551  211.974      4.76964  213.495      4.69381  14.5544  0.163856  14.6067  0.160673  
1 1 1 18 17 18 o 4.8326   0.0892005 23.3593      0.862141 23.601       1.21257  23.1122      1.22604  4.857    0.124827  4.8064   0.127543  
1 1 1 18 17 19 o 6.1282   0.0983346 37.5667      1.20523  38.5936      1.74236  36.6246      1.66891  6.21036  0.140278  6.04993  0.137928  
1 1 1 18 17 20 o 7.66149  0.0925014 58.7195      1.4174   58.6892      1.9601   58.7526      2.05207  7.65824  0.127973  7.66212  0.13391   
1 1 1 18 17 21 o 11.0094  0.100264  121.269      2.2077   122.039      3.1277   120.505      3.11665  11.0415  0.141634  10.9719  0.142029  
1 1 1 18 17 22 o 3.05188  0.136251  9.32435      0.83164  8.53074      1.17091  10.1322      1.1814   2.91719  0.200691  3.1798   0.185766  
1 1 1 18 17 23 o 4.28594  0.107055  18.3846      0.917666 18.5201      1.28695  18.2444      1.30888  4.29996  0.149647  4.26766  0.153348  
1 1 1 18 17 24 o 3.75836  0.112937  14.1422      0.848914 14.3851      1.20254  13.9009      1.19856  3.7883   0.158717  3.72387  0.16093   
1 1 1 18 17 25 o 8.90275  0.0912439 79.3331      1.62464  78.5188      2.32273  80.1132      2.27326  8.85251  0.13119   8.94246  0.127105  
1 1 1 18 17 26 o 4.03265  0.11516   16.2918      0.928799 16.3266      1.29326  16.2547      1.33476  4.03354  0.160314  4.02415  0.165844  
1 1 1 18 17 27 o 2.02306  0.190548  4.11642      0.77098  5.33155      1.08812  2.89138      1.09255  2.29869  0.236683  1.65549  0.341638  
1 1 1 18 17 28 o 1.39922  0.283992  2.05751      0.767056 3.38671      1.08999  0.753423     1.07965  1.82481  0.298659  1.01047  0.384854  
1 1 1 18 17 29 o 1.07046  0.341272  1.15756      0.822192 1.6599       1.1565   0.644212     1.16911  1.27276  0.404648  1.00778  0.396421  
1 1 1 18 17 30 o 2.73888  0.158938  7.55204      0.870623 7.48866      1.226    7.61652      1.23656  2.71828  0.22551   2.74139  0.225536  
1 1 1 18 17 31 o 2.48905  0.177776  6.25589      0.88499  6.86444      1.25342  5.65093      1.24972  2.59665  0.241353  2.35156  0.265721  
1 1 1 18 17 32 o 0.796159 0.329672  0.217905     0.857178 1.25127      1.21871  -0.793802    1.20586  1.15533  0.41416   0.756446 0.347329  
1 1 1 18 17 33 o 5.36013  0.105972  28.8586      1.13605  28.6508      1.62799  29.0558      1.58607  5.32809  0.152774  5.3672   0.147756  
1 1 1 18 17 34 o 5.0005   0.113911  25.1662      1.13923  26.1802      1.63245  24.2036      1.59058  5.08444  0.160534  4.88791  0.162705  
1 1 1 18 17 35 o 1.01605  0.36235   0.997751     0.931794 0.375158     1.34608  1.57056      1.29114  0.974588 0.408893  1.22651  0.427599  
1 1 1 18 17 36 o 1.23799  0.360355  1.70363      0.94593  0.0557859    1.34123  3.33444      1.33429  0.912359 0.396087  1.71148  0.397139  
1 1 1 18 17 37 o 2.31077  0.217302  5.5294       1.00427  6.40551      1.43143  4.6801       1.40934  2.45363  0.291695  2.07526  0.339559  
1 1 1 18 17 38 o 2.40383  0.206719  5.9942       0.993835 5.86193      1.40369  6.12715      1.40731  2.33087  0.301109  2.38662  0.294833  
1 1 1 18 17 39 o 0.931258 0.359634  0.794898     0.952213 1.96045      1.35596  -0.339137    1.3375   1.2736   0.438757  0.823093 0.373823  
1 1 1 18 17 40 o 1.8728   0.281894  3.86491      1.05586  4.90688      1.48077  2.78715      1.50598  2.01652  0.381055  1.44987  0.461839  
1 1 1 18 17 41 o 2.0181   0.267096  4.54694      1.07806  6.18502      1.53653  2.95876      1.51295  2.28318  0.336488  1.44051  0.463315  
1 1 1 18 17 42 o 0.669703 0.310171  -0.384115    0.987594 0.0146173    1.40426  -0.774336    1.38919  0.832092 0.379275  0.738174 0.349848  
1 1 1 18 17 43 o 0.790384 0.348631  0.443212     1.07493  0.0547781    1.50646  0.846131     1.53429  0.809415 0.378021  0.908688 0.407332  
1 1 1 18 17 44 o 0.584318 0.285295  -0.992106    1.09858  -1.57045     1.47441  -0.270291    1.64717  0.628634 0.311628  0.748049 0.361594  
1 1 1 18 17 45 o 0.669406 0.318463  -0.0949388   1.16089  0.469442     1.67458  -0.617132    1.61077  0.77976  0.374015  0.691412 0.339619  
1 1 1 18 18 0  o 25.6099  0.342037  656.963      17.512   656.963      17.512   656.963      17.512   25.6205  0.241708  ?        ?         
1 1 1 18 18 1  o 15.028   0.147919  225.954      4.44489  225.954      4.44489  225.954      4.44489  15.0299  0.10457   ?        ?         
1 1 1 18 18 2  o 10.5121  0.105545  110.549      2.21849  110.549      2.21849  110.549      2.21849  10.5131  0.0746155 ?        ?         
1 1 1 18 18 3  o 11.1287  0.116832  123.904      2.59972  123.904      2.59972  123.904      2.59972  11.13    0.0825928 ?        ?         
1 1 1 18 18 4  o 7.76771  0.115644  60.3845      1.79568  60.3845      1.79568  60.3845      1.79568  7.76923  0.0817364 ?        ?         
1 1 1 18 18 5  o 2.18993  0.143841  4.8584       0.623767 4.8584       0.623767 4.8584       0.623767 2.19717  0.100856  ?        ?         
1 1 1 18 18 6  o 23.6522  0.24541   559.87       11.6062  559.87       11.6062  559.87       11.6062  23.6568  0.173476  ?        ?         
1 1 1 18 18 7  o 7.3263   0.113013  53.7181      1.65505  53.7181      1.65505  53.7181      1.65505  7.32778  0.0798747 ?        ?         
1 1 1 18 18 8  o 8.99995  0.097193  81.0331      1.74901  81.0331      1.74901  81.0331      1.74901  9.00089  0.0687096 ?        ?         
1 1 1 18 18 9  f 11.8075  0.127265  139.482      3.00458  139.482      3.00458  139.482      3.00458  11.8089  0.0899679 ?        ?         
1 1 1 18 18 10 f 1.04762  0.30232   1.33934      0.54885  1.33934      0.54885  1.33934      0.54885  1.11082  0.19186   ?        ?         
1 1 1 18 18 11 o 20.6149  0.196662  425.217      8.10669  425.217      8.10669  425.217      8.10669  20.6178  0.139027  ?        ?         
1 1 1 18 18 12 o 7.67188  0.119312  58.9076      1.8297   58.9076      1.8297   58.9076      1.8297   7.6735   0.0843254 ?        ?         
1 1 1 18 18 13 o 3.01275  0.128144  9.12724      0.768956 9.12724      0.768956 9.12724      0.768956 3.01697  0.0902958 ?        ?         
1 1 1 18 18 14 o 10.2322  0.113207  104.75       2.31608  104.75       2.31608  104.75       2.31608  10.2335  0.0800286 ?        ?         
1 1 1 18 18 15 o 27.941   0.264852  781.502      14.7975  781.502      14.7975  781.502      14.7975  27.9481  0.187212  ?        ?         
1 1 1 18 18 16 o 10.0502  0.124698  101.072      2.5056   101.072      2.5056   101.072      2.5056   10.0518  0.088145  ?        ?         
1 1 1 18 18 17 o 18.9993  0.199254  361.284      7.56949  361.284      7.56949  361.284      7.56949  19.0034  0.140846  ?        ?         
1 1 1 18 18 18 o 11.9486  0.141945  142.872      3.391    142.872      3.391    142.872      3.391    11.9508  0.100336  ?        ?         
1 1 1 18 18 19 o 4.95731  0.146142  24.6484      1.4461   24.6484      1.4461   24.6484      1.4461   4.96103  0.103158  ?        ?         
1 1 1 18 18 20 o 8.85668  0.125755  78.5163      2.22654  78.5163      2.22654  78.5163      2.22654  8.8588   0.0888808 ?        ?         
1 1 1 18 18 21 o 0.343635 0.254067  -2.60183     1.0743   -2.60183     1.0743   -2.60183     1.0743   0.251095 0.187734  ?        ?         
1 1 1 18 18 22 o 9.16208  0.137841  84.0517      2.52453  84.0517      2.52453  84.0517      2.52453  9.16501  0.0974121 ?        ?         
1 1 1 18 18 23 o 9.02103  0.131176  81.4854      2.36555  81.4854      2.36555  81.4854      2.36555  9.02396  0.092703  ?        ?         
1 1 1 18 18 24 o 0.575101 0.379594  -0.134539    1.07978  -0.134539    1.07978  -0.134539    1.07978  0.476554 0.316298  ?        ?         
1 1 1 18 18 25 o 0.630409 0.405392  0.107676     1.1305   0.107676     1.1305   0.107676     1.1305   0.538045 0.343859  ?        ?         
1 1 1 18 18 26 o 4.41223  0.142535  19.5567      1.25482  19.5567      1.25482  19.5567      1.25482  4.41727  0.100552  ?        ?         
1 1 1 18 18 27 o 6.37364  0.124402  40.7228      1.58443  40.7228      1.58443  40.7228      1.58443  6.37753  0.0878742 ?        ?         
1 1 1 18 18 28 o 0.78329  0.444762  0.843462     1.06533  0.843462     1.06533  0.843462     1.06533  0.751915 0.390601  ?        ?         
1 1 1 18 18 29 o 4.28432  0.161752  18.4885      1.38151  18.4885      1.38151  18.4885      1.38151  4.29212  0.113981  ?        ?         
1 1 1 18 18 30 o 1.07213  0.487217  1.71639      1.12232  1.71639      1.12232  1.71639      1.12232  1.14488  0.38799   ?        ?         
1 1 1 18 18 31 o 0.548501 0.370447  -0.397416    1.14327  -0.397416    1.14327  -0.397416    1.14327  0.444684 0.304162  ?        ?         
1 1 1 18 18 32 o 1.21779  0.521219  2.18559      1.28824  2.18559      1.28824  2.18559      1.28824  1.31751  0.397216  ?        ?         
1 1 1 18 18 33 o 2.737    0.246578  7.75972      1.32457  7.75972      1.32457  7.75972      1.32457  2.7619   0.171063  ?        ?         
1 1 1 18 18 34 f 2.58426  0.269147  7.00913      1.35654  7.00913      1.35654  7.00913      1.35654  2.61701  0.185404  ?        ?         
1 1 1 18 18 35 o 1.68208  0.463777  3.53393      1.34742  3.53393      1.34742  3.53393      1.34742  1.79688  0.287196  ?        ?         
1 1 1 18 18 36 o 0.649184 0.425002  0.0508141    1.31923  0.0508141    1.31923  0.0508141    1.31923  0.554215 0.360618  ?        ?         
1 1 1 18 18 37 o 1.39375  0.539629  2.84764      1.42304  2.84764      1.42304  2.84764      1.42304  1.53715  0.378405  ?        ?         
1 1 1 18 18 38 o 1.86894  0.417574  4.17662      1.36107  4.17662      1.36107  4.17662      1.36107  1.97108  0.253544  ?        ?         
1 1 1 18 18 39 f 1.71091  0.463891  3.76789      1.36954  3.76789      1.36954  3.76789      1.36954  1.84483  0.282296  ?        ?         
1 1 1 18 18 40 o 0.699831 0.454026  0.358557     1.46568  0.358557     1.46568  0.358557     1.46568  0.623252 0.395069  ?        ?         
1 1 1 18 18 41 o 1.42983  0.545675  3.24175      1.46331  3.24175      1.46331  3.24175      1.46331  1.62515  0.365391  ?        ?         
1 1 1 18 18 42 o 0.81778  0.496424  1.23108      1.47679  1.23108      1.47679  1.23108      1.47679  0.818439 0.449775  ?        ?         
1 1 1 18 18 43 o 0.713922 0.465302  0.780794     1.56063  0.780794     1.56063  0.780794     1.56063  0.678691 0.420356  ?        ?         
1 1 1 18 18 44 o 0.735505 0.473879  1.23278      1.55591  1.23278      1.55591  1.23278      1.55591  0.749851 0.441053  ?        ?         
1 1 1 18 18 45 o 0.471301 0.34271   -1.4612      1.62523  -1.4612      1.62523  -1.4612      1.62523  0.388054 0.283462  ?        ?         
1 1 1 19 0  0  o 7.15448  0.113937  51.2337      1.62938  51.2337      1.62938  51.2337      1.62938  7.15613  0.0805238 ?        ?         
1 1 1 19 0  1  o 5.2782   0.0618901 27.8722      0.653135 27.8722      0.653135 27.8722      0.653135 5.27881  0.0437511 ?        ?         
1 1 1 19 0  2  o 7.41861  0.0941898 55.0684      1.39701  55.0684      1.39701  55.0684      1.39701  7.41971  0.0665803 ?        ?         
1 1 1 19 0  3  f 10.0472  0.0985252 100.988      1.97938  100.988      1.97938  100.988      1.97938  10.0482  0.0696532 ?        ?         
1 1 1 19 0  4  o 6.56405  0.0819234 43.1106      1.07512  43.1106      1.07512  43.1106      1.07512  6.56496  0.0579104 ?        ?         
1 1 1 19 0  5  o 2.93253  0.0740289 8.61674      0.433558 8.61674      0.433558 8.61674      0.433558 2.93398  0.0522825 ?        ?         
1 1 1 19 0  6  o 30.2348  0.296546  915.462      17.9282  915.462      17.9282  915.462      17.9282  30.2457  0.209592  ?        ?         
1 1 1 19 0  7  o 10.3217  0.107872  106.59       2.22631  106.59       2.22631  106.59       2.22631  10.323   0.0762586 ?        ?         
1 1 1 19 0  8  f 4.84688  0.0910402 23.5198      0.881819 23.5198      0.881819 23.5198      0.881819 4.8483   0.0643306 ?        ?         
1 1 1 19 0  9  o 2.62159  0.101102  6.90434      0.528306 6.90434      0.528306 6.90434      0.528306 2.62462  0.0712852 ?        ?         
1 1 1 19 0  10 o 1.92317  0.14838   3.76529      0.56291  3.76529      0.56291  3.76529      0.56291  1.93199  0.103695  ?        ?         
1 1 1 19 0  11 o 14.0808  0.155327  198.402      4.37307  198.402      4.37307  198.402      4.37307  14.0831  0.1098    ?        ?         
1 1 1 19 0  12 o 3.98345  0.093309  15.8956      0.742462 15.8956      0.742462 15.8956      0.742462 3.98519  0.0659094 ?        ?         
1 1 1 19 0  13 o 5.4521   0.10965   29.7655      1.19456  29.7655      1.19456  29.7655      1.19456  5.45393  0.0774728 ?        ?         
1 1 1 19 0  14 o 22.0604  0.219409  487.021      9.67833  487.021      9.67833  487.021      9.67833  22.0644  0.1551    ?        ?         
1 1 1 19 0  15 o 37.5274  0.368186  1410.21      27.6281  1410.21      27.6281  1410.21      27.6281  37.5399  0.260232  ?        ?         
1 1 1 19 0  16 o 20.7998  0.208517  432.899      8.67224  432.899      8.67224  432.899      8.67224  20.803   0.147404  ?        ?         
1 1 1 19 0  17 o 17.2791  0.168862  298.715      5.83431  298.715      5.83431  298.715      5.83431  17.2812  0.119376  ?        ?         
1 1 1 19 0  18 o 4.69399  0.117547  22.0775      1.10196  22.0775      1.10196  22.0775      1.10196  4.69633  0.0830175 ?        ?         
1 1 1 19 0  19 o 11.6955  0.12712   136.854      2.97266  136.854      2.97266  136.854      2.97266  11.697   0.0898639 ?        ?         
1 1 1 19 0  20 o 15.8275  0.161017  250.655      5.09579  250.655      5.09579  250.655      5.09579  15.8298  0.113826  ?        ?         
1 1 1 19 0  21 f 10.2684  0.154041  105.541      3.1619   105.541      3.1619   105.541      3.1619   10.2709  0.10887   ?        ?         
1 1 1 19 0  22 o 4.08042  0.171113  16.7441      1.39084  16.7441      1.39084  16.7441      1.39084  4.08622  0.120578  ?        ?         
1 1 1 19 0  23 o 3.85969  0.199697  15.0259      1.53212  15.0259      1.53212  15.0259      1.53212  3.86809  0.14046   ?        ?         
1 1 1 19 0  24 o 1.8874   0.420709  4.05981      1.38529  4.05981      1.38529  4.05981      1.38529  1.96374  0.259531  ?        ?         
1 1 1 19 0  25 o 1.20773  0.525511  2.10015      1.30516  2.10015      1.30516  2.10015      1.30516  1.29007  0.408039  ?        ?         
1 1 1 19 0  26 o 4.77113  0.17155   22.8736      1.63218  22.8736      1.63218  22.8736      1.63218  4.77689  0.120978  ?        ?         
1 1 1 19 0  27 o 1.03699  0.519873  1.60777      1.30868  1.60777      1.30868  1.60777      1.30868  1.06741  0.439781  ?        ?         
1 1 1 19 0  28 o 7.67817  0.142195  59.0796      2.18191  59.0796      2.18191  59.0796      2.18191  7.68225  0.100455  ?        ?         
1 1 1 19 0  29 o 1.6074   0.473891  3.20238      1.32256  3.20238      1.32256  3.20238      1.32256  1.71148  0.301047  ?        ?         
1 1 1 19 0  30 o 4.24444  0.170205  18.1431      1.43957  18.1431      1.43957  18.1431      1.43957  4.25197  0.119917  ?        ?         
1 1 1 19 0  31 o 6.36751  0.138654  40.6784      1.76388  40.6784      1.76388  40.6784      1.76388  6.37275  0.0979101 ?        ?         
1 1 1 19 0  32 o 1.26294  0.504647  2.25291      1.22971  2.25291      1.22971  2.25291      1.22971  1.36727  0.36866   ?        ?         
1 1 1 19 0  33 o 3.07814  0.239786  9.72066      1.45559  9.72066      1.45559  9.72066      1.45559  3.09842  0.167207  ?        ?         
1 1 1 19 0  34 o 1.68368  0.478541  3.52081      1.39455  3.52081      1.39455  3.52081      1.39455  1.79526  0.299822  ?        ?         
1 1 1 19 0  35 o 0.968692 0.519012  1.437        1.36225  1.437        1.36225  1.437        1.36225  0.976769 0.45096   ?        ?         
1 1 1 19 0  36 o 0.626052 0.418692  -0.288891    1.39387  -0.288891    1.39387  -0.288891    1.39387  0.516533 0.347343  ?        ?         
1 1 1 19 0  37 o 0.889204 0.508854  1.16213      1.40693  1.16213      1.40693  1.16213      1.40693  0.864614 0.448937  ?        ?         
1 1 1 19 0  38 o 0.584265 0.402537  -0.739568    1.46944  -0.739568    1.46944  -0.739568    1.46944  0.469828 0.326782  ?        ?         
1 1 1 19 0  39 o 2.10263  0.432576  5.18287      1.60641  5.18287      1.60641  5.18287      1.60641  2.20305  0.266634  ?        ?         
1 1 1 19 0  40 o 0.586735 0.404552  -0.700439    1.48885  -0.700439    1.48885  -0.700439    1.48885  0.474934 0.330214  ?        ?         
1 1 1 19 0  41 o 0.527649 0.373372  -1.2801      1.49022  -1.2801      1.49022  -1.2801      1.49022  0.415141 0.298156  ?        ?         
1 1 1 19 0  42 o 1.09455  0.547108  2.10129      1.44773  2.10129      1.44773  2.10129      1.44773  1.19299  0.45668   ?        ?         
1 1 1 19 0  43 o 0.616099 0.420371  -0.285004    1.52548  -0.285004    1.52548  -0.285004    1.52548  0.519636 0.354157  ?        ?         
1 1 1 19 0  44 o 0.415722 0.306563  -2.90105     1.50298  -2.90105     1.50298  -2.90105     1.50298  0.314813 0.234306  ?        ?         
1 1 1 19 0  45 o 0.538986 0.385852  -1.20769     1.72593  -1.20769     1.72593  -1.20769     1.72593  0.441791 0.318099  ?        ?         
1 1 1 19 0  46 o 0.621076 0.435793  -0.0489162   1.93688  -0.0489162   1.93688  -0.0489162   1.93688  0.55727  0.385484  ?        ?         
1 1 1 19 0  47 o 0.887853 0.570979  2.89679      2.24313  2.89679      2.24313  2.89679      2.24313  1.03414  0.558301  ?        ?         
1 1 1 19 1  0  o 11.133   0.107562  123.997      2.39447  123.997      2.39447  123.997      2.39447  11.1342  0.0760417 ?        ?         
1 1 1 19 1  1  o 1.43296  0.0744426 2.05365      0.213346 2.29712      0.298592 1.79972      0.304943 1.51544  0.0985164 1.34132  0.113673  
1 1 1 19 1  2  o 13.3847  0.093411  179.19       2.50056  178.729      3.48352  179.68       3.59161  13.3661  0.130312  13.4014  0.134001  
1 1 1 19 1  3  f 17.0257  0.123017  289.985      4.18888  290.176      5.99904  289.802      5.85166  17.0279  0.176153  17.0172  0.171934  
1 1 1 19 1  4  o 19.1221  0.139709  365.837      5.34304  368.93       7.61411  362.836      7.49959  19.1978  0.198306  19.0388  0.196956  
1 1 1 19 1  5  o 9.73245  0.0741702 94.7341      1.44371  95.3684      2.02935  94.084       2.05432  9.7643   0.103917  9.69827  0.105912  
1 1 1 19 1  6  o 7.72593  0.0607402 59.6958      0.938549 60.8506      1.34975  58.6148      1.30595  7.7999   0.0865234 7.65529  0.0852973 
1 1 1 19 1  7  o 18.6244  0.130469  347.03       4.85984  350.64       6.94186  343.56       6.80586  18.7166  0.185446  18.5269  0.183675  
1 1 1 19 1  8  o 6.43153  0.0632559 41.3691      0.813664 41.225       1.14723  41.515       1.15419  6.41996  0.0893485 6.4425   0.0895766 
1 1 1 19 1  9  o 9.54912  0.0739416 91.1993      1.41215  88.8619      1.97447  93.6471      2.0205   9.42523  0.104744  9.67569  0.104411  
1 1 1 19 1  10 o 12.2845  0.0942177 150.945      2.31484  152.517      3.30373  149.429      3.24444  12.3469  0.133788  12.2213  0.132737  
1 1 1 19 1  11 o 7.10039  0.0621437 50.4204      0.882489 49.784       1.21239  51.1375      1.287    7.05512  0.0859228 7.15032  0.0899962 
1 1 1 19 1  12 o 13.9365  0.0992387 194.273      2.76609  195.19       3.9235   193.366      3.90028  13.9677  0.140449  13.9023  0.140274  
1 1 1 19 1  13 f 20.4405  0.14248   417.997      5.82473  414.244      8.07317  422.072      8.41209  20.3442  0.198414  20.5349  0.204824  
1 1 1 19 1  14 o 21.1676  0.151103  448.251      6.39698  449.356      9.17176  447.204      8.9266   21.1891  0.216427  21.1387  0.211144  
1 1 1 19 1  15 o 7.61821  0.0718094 58.0417      1.09412  57.2054      1.57316  58.8252      1.52271  7.56279  0.104006  7.66917  0.0992747 
1 1 1 19 1  16 o 9.17033  0.0776297 84.1024      1.42378  82.8583      1.96595  85.4748      2.06474  9.10185  0.107997  9.24439  0.111675  
1 1 1 19 1  17 o 20.3972  0.138761  416.164      5.66065  415.512      7.99669  416.82       8.01408  20.3781  0.196208  20.4101  0.196326  
1 1 1 19 1  18 o 8.46235  0.0748966 71.6181      1.2676   70.5305      1.7721   72.7578      1.81396  8.39744  0.105514  8.52899  0.106341  
1 1 1 19 1  19 o 0.835957 0.300037  0.585009     0.639777 1.44004      0.909193 -0.253622    0.900433 1.19205  0.355103  0.728272 0.320306  
1 1 1 19 1  20 o 22.7125  0.154903  516.123      7.03646  516.719      9.9676   515.53       9.93461  22.7197  0.219361  22.6936  0.218886  
1 1 1 19 1  21 o 1.4506   0.310238  2.1913       0.873843 1.36631      1.23404  3.02101      1.23757  1.22188  0.418797  1.7018   0.373767  
1 1 1 19 1  22 o 2.84629  0.158932  8.10709      0.904734 7.61096      1.27915  8.60375      1.27983  2.75672  0.232005  2.93126  0.218307  
1 1 1 19 1  23 o 15.3287  0.13068   235.103      4.00633  233.206      5.63048  237.048      5.70179  15.2624  0.184455  15.3876  0.185273  
1 1 1 19 1  24 o 12.4363  0.105651  154.738      2.62781  158.934      3.77539  150.795      3.65987  12.6005  0.149811  12.2737  0.149094  
1 1 1 19 1  25 o 1.34706  0.338393  1.89775      0.911229 0.243476     1.29126  3.53883      1.2861   0.975671 0.404352  1.84349  0.361716  
1 1 1 19 1  26 o 5.59606  0.107875  31.3403      1.20735  31.4381      1.67685  31.2351      1.73979  5.60271  0.149646  5.58424  0.155776  
1 1 1 19 1  27 o 0.829324 0.34044   0.227418     0.904549 -1.00062     1.23856  1.63111      1.32418  0.755784 0.34901   1.30135  0.433825  
1 1 1 19 1  28 o 4.6749   0.125322  21.8926      1.17174  21.3649      1.66503  22.4104      1.64926  4.61393  0.180435  4.72602  0.174487  
1 1 1 19 1  29 o 6.58766  0.0977114 43.4539      1.28738  43.8307      1.8795   43.1208      1.76696  6.61136  0.142142  6.55852  0.134707  
1 1 1 19 1  30 o 2.75011  0.168081  7.59779      0.924487 6.62194      1.31596  8.54872      1.29905  2.5595   0.257073  2.91198  0.223052  
1 1 1 19 1  31 o 1.8062   0.245348  3.30122      0.886298 3.62479      1.24541  2.96919      1.26157  1.85334  0.348794  1.66699  0.385743  
1 1 1 19 1  32 o 2.70929  0.168103  7.388        0.910879 7.98561      1.31006  6.82872      1.26735  2.80839  0.233241  2.59548  0.244146  
1 1 1 19 1  33 o 3.11969  0.161595  9.8047       1.00825  9.9056       1.40996  9.69911      1.44236  3.12497  0.225596  3.0907   0.233338  
1 1 1 19 1  34 o 2.37833  0.217613  5.74577      1.03511  6.56949      1.48072  4.9585       1.44758  2.52676  0.293008  2.18671  0.330994  
1 1 1 19 1  35 o 3.46244  0.151386  12.089       1.04833  11.1005      1.50265  13.0264      1.46326  3.30033  0.227652  3.58174  0.204267  
1 1 1 19 1  36 o 1.22829  0.370288  1.62244      0.984653 0.00121954   1.35045  3.4626       1.43876  0.922013 0.398819  1.76423  0.414362  
1 1 1 19 1  37 o 1.21287  0.371217  1.602        0.984616 0.61852      1.35477  2.70307      1.43348  1.02573  0.418108  1.54037  0.442069  
1 1 1 19 1  38 o 1.87607  0.279969  3.68992      1.05048  4.94535      1.49441  2.46365      1.47695  2.14418  0.348482  1.46342  0.456028  
1 1 1 19 1  39 o 2.35481  0.237144  5.77793      1.11686  4.93181      1.60624  6.56991      1.55401  2.07493  0.401386  2.47399  0.31407   
1 1 1 19 1  40 o 2.84872  0.205775  8.4062       1.17239  9.21769      1.71011  7.68659      1.61039  2.9326   0.291568  2.67189  0.301359  
1 1 1 19 1  41 o 2.4372   0.218922  6.24182      1.06711  4.64236      1.51131  7.83206      1.50695  1.97436  0.396694  2.68911  0.280196  
1 1 1 19 1  42 o 2.04914  0.260563  4.56328      1.06786  5.36545      1.53097  3.80323      1.49023  2.14802  0.356367  1.72434  0.432492  
1 1 1 19 1  43 o 1.47833  0.366762  2.7536       1.08056  2.5495       1.55315  2.94506      1.50431  1.33233  0.46855   1.43659  0.461984  
1 1 1 19 1  44 o 1.11819  0.393113  1.69289      1.09321  2.79591      1.53618  0.56108      1.55609  1.34274  0.466576  0.926533 0.412901  
1 1 1 19 1  45 f 0.743533 0.344726  -0.059609    1.22401  1.30251      1.65381  -1.70949     1.82015  0.975718 0.431141  0.720481 0.354844  
1 1 1 19 1  46 o 0.561953 0.280977  -2.0721      1.32686  -3.38007     1.88477  -0.786937    1.86827  0.610734 0.309093  0.732045 0.360555  
1 1 1 19 1  47 o 0.66987  0.327294  -0.396594    1.45307  1.44668      2.0177   -2.38256     2.09434  0.835973 0.403293  0.64553  0.326519  
1 1 1 19 2  0  o 1.14457  0.140437  1.36857      0.310554 1.36857      0.310554 1.36857      0.310554 1.15791  0.0963587 ?        ?         
1 1 1 19 2  1  o 14.7793  0.105956  218.49       3.13192  221.062      4.47678  216.025      4.38312  14.8639  0.150592  14.6937  0.14915   
1 1 1 19 2  2  o 22.5381  0.163949  508.31       7.39019  506.005      10.4048  510.658      10.4985  22.4792  0.231431  22.5822  0.23245   
1 1 1 19 2  3  o 27.3076  0.203328  746.492      11.1048  743.47       15.2492  749.904      16.2034  27.2392  0.279911  27.3536  0.296184  
1 1 1 19 2  4  o 12.6659  0.0966521 160.465      2.44838  159.822      3.36401  161.189      3.57025  12.6391  0.133079  12.6928  0.140641  
1 1 1 19 2  5  o 12.4825  0.0872596 155.844      2.17844  157.375      3.11225  154.374      3.05023  12.5423  0.12407   12.4223  0.122773  
1 1 1 19 2  6  o 10.0847  0.0712412 101.714      1.43689  100.962      2.0219   102.482      2.04239  10.0466  0.100626  10.1219  0.100889  
1 1 1 19 2  7  o 6.13796  0.056878  37.6779      0.69823  36.8674      0.979389 38.5157      0.995704 6.07131  0.0806572 6.20555  0.0802269 
1 1 1 19 2  8  o 3.33782  0.0631662 11.1423      0.421674 11.9718      0.610798 10.3869      0.582857 3.45965  0.0882746 3.2225   0.0904356 
1 1 1 19 2  9  o 5.25368  0.0561826 27.6035      0.590331 26.8684      0.832608 28.3466      0.837118 5.18302  0.0803208 5.32371  0.0786217 
1 1 1 19 2  10 o 4.12995  0.0614883 17.0581      0.507887 16.2582      0.713284 17.8808      0.723342 4.03173  0.0884587 4.22817  0.0855384 
1 1 1 19 2  11 o 3.63082  0.0648844 13.1842      0.471167 13.7788      0.684105 12.6477      0.649875 3.71158  0.0921581 3.556    0.0913773 
1 1 1 19 2  12 o 6.23914  0.061496  38.9303      0.767364 38.2214      1.07056  39.6793      1.10049  6.1818   0.08659   6.29858  0.08736   
1 1 1 19 2  13 o 9.48404  0.0778883 89.9581      1.47739  89.5326      2.10088  90.3743      2.078    9.46096  0.111029  9.50536  0.109307  
1 1 1 19 2  14 o 15.3809  0.11155   236.621      3.43147  235.79       4.83444  237.465      4.87144  15.3522  0.157451  15.4066  0.158096  
1 1 1 19 2  15 o 24.5396  0.172065  602.455      8.44479  605.541      11.9917  599.418      11.8943  24.5968  0.243767  24.4722  0.243018  
1 1 1 19 2  16 o 13.281   0.11238   176.417      2.98503  179.357      4.32791  173.75       4.12253  13.3898  0.161613  13.179   0.156405  
1 1 1 19 2  17 o 10.1231  0.0807277 102.487      1.63442  101.358      2.30956  103.619      2.3133   10.0667  0.114713  10.1783  0.113639  
1 1 1 19 2  18 o 11.9921  0.0903986 143.83       2.16813  143.957      3.06608  143.704      3.06633  11.9965  0.127791  11.9859  0.127914  
1 1 1 19 2  19 f 26.6788  0.181758  712.238      9.69817  718.573      13.675   705.827      13.756   26.7884  0.25524   26.5492  0.259066  
1 1 1 19 2  20 o 16.9416  0.120234  287.107      4.07392  286.958      5.75617  287.256      5.76664  16.9345  0.169954  16.9433  0.170175  
1 1 1 19 2  21 o 3.99609  0.125155  15.9748      1.00026  16.4381      1.40658  15.5009      1.42271  4.05288  0.173528  3.93554  0.180752  
1 1 1 19 2  22 o 6.75239  0.0895274 45.6052      1.20905  44.2494      1.69664  47.004       1.72337  6.65047  0.127558  6.85439  0.125713  
1 1 1 19 2  23 o 2.783    0.190912  7.75487      1.06262  8.6596       1.54299  6.9387       1.46553  2.93921  0.262485  2.6306   0.278555  
1 1 1 19 2  24 o 8.97471  0.0939327 80.5778      1.68604  82.1828      2.37862  78.9571      2.39026  9.06188  0.131243  8.88208  0.134555  
1 1 1 19 2  25 o 5.46866  0.103747  29.9243      1.13472  29.5003      1.59214  30.3619      1.61763  5.42815  0.146656  5.50684  0.146874  
1 1 1 19 2  26 o 3.37197  0.148078  11.3874      0.998632 10.7124      1.40539  12.0758      1.41927  3.2677   0.215043  3.46997  0.204507  
1 1 1 19 2  27 o 1.94772  0.241988  3.81375      0.942648 3.35404      1.33549  4.27019      1.33074  1.78543  0.384975  2.05671  0.323511  
1 1 1 19 2  28 o 9.39209  0.099147  88.3089      1.8624   88.1687      2.61892  88.4522      2.64898  9.37953  0.139609  9.39439  0.140987  
1 1 1 19 2  29 o 6.30441  0.0986207 39.7993      1.24349  38.2318      1.7773   41.3023      1.7404   6.17429  0.143927  6.41848  0.135577  
1 1 1 19 2  30 o 3.09099  0.149371  9.58967      0.923411 10.4228      1.32899  8.81198      1.28397  3.21696  0.20656   2.95683  0.21712   
1 1 1 19 2  31 o 1.44582  0.31388   2.2123       0.882176 2.7043       1.24612  1.71798      1.24905  1.5892   0.393608  1.30208  0.421192  
1 1 1 19 2  32 o 0.71489  0.315224  -0.227566    0.877778 -0.30921     1.24876  -0.147827    1.2341   0.850648 0.375417  0.871461 0.37916   
1 1 1 19 2  33 o 5.72502  0.105567  32.8812      1.20874  33.6555      1.683    32.0563      1.73713  5.78383  0.145492  5.64271  0.153927  
1 1 1 19 2  34 o 0.778132 0.339968  -0.143176    1.00059  1.09325      1.4488   -1.27075     1.38355  1.16524  0.445232  0.765881 0.358901  
1 1 1 19 2  35 o 2.04537  0.244062  4.27653      0.998394 4.01455      1.42843  4.52675      1.39601  1.92117  0.385342  2.08419  0.334906  
1 1 1 19 2  36 o 0.823777 0.34565   0.185483     0.962032 0.0774161    1.30778  0.312926     1.4202   0.92     0.395105  0.994853 0.418817  
1 1 1 19 2  37 o 0.643956 0.301669  -0.871897    0.974602 -0.710713    1.34672  -1.04914     1.41221  0.808827 0.369567  0.789931 0.367789  
1 1 1 19 2  38 o 1.57969  0.349839  2.77622      1.07595  1.91471      1.55419  3.56914      1.49103  1.32922  0.468579  1.75862  0.427483  
1 1 1 19 2  39 o 2.74187  0.212241  7.77163      1.16387  6.51304      1.72739  8.81803      1.57506  2.44029  0.353932  2.89034  0.272469  
1 1 1 19 2  40 o 1.12629  0.387487  1.39009      1.05728  0.202074     1.45312  2.72649      1.5412   0.949335 0.41221   1.49362  0.465922  
1 1 1 19 2  41 o 0.751795 0.335703  -0.16844     1.03323  0.950231     1.5048   -1.16626     1.42119  1.06721  0.438766  0.751279 0.355017  
1 1 1 19 2  42 o 3.46906  0.168249  12.4767      1.16733  12.9807      1.65568  11.9785      1.64608  3.47669  0.238111  3.331    0.247085  
1 1 1 19 2  43 o 0.555821 0.273792  -1.75426     1.06021  -1.12769     1.54593  -2.31062     1.45675  0.757751 0.362468  0.641556 0.316019  
1 1 1 19 2  44 o 0.773533 0.345658  0.132086     1.09717  0.072871     1.48495  0.203276     1.62818  0.84733  0.387539  0.887478 0.405859  
1 1 1 19 2  45 o 0.939092 0.393753  1.18267      1.24695  1.0105       1.64095  1.41795      1.91824  0.933947 0.419872  0.995123 0.450299  
1 1 1 19 2  46 o 0.596176 0.2944    -1.35257     1.28446  -1.04724     1.78821  -1.67802     1.84619  0.703012 0.347207  0.6767   0.337376  
1 1 1 19 2  47 o 0.829004 0.381526  1.39016      1.46432  1.10176      2.06633  1.6811       2.07542  0.795289 0.388974  0.832553 0.403036  
1 1 1 19 3  0  o 7.88282  0.10158   62.1779      1.60088  62.1779      1.60088  62.1779      1.60088  7.88406  0.0718035 ?        ?         
1 1 1 19 3  1  o 10.4178  0.0783759 108.548      1.63301  110.281      2.34177  106.908      2.27839  10.4998  0.111515  10.338   0.110195  
1 1 1 19 3  2  o 19.2678  0.142185  371.441      5.4792   371.913      7.66315  370.947      7.83731  19.2752  0.198782  19.2497  0.20357   
1 1 1 19 3  3  o 7.87999  0.0641206 62.1009      1.01054  61.7087      1.42022  62.5031      1.43819  7.85465  0.090406  7.90504  0.0909667 
1 1 1 19 3  4  o 11.6007  0.08222   134.6        1.90762  135.074      2.67779  134.112      2.71822  11.6201  0.115222  11.5785  0.117382  
1 1 1 19 3  5  o 2.48799  0.0557102 6.19061      0.277213 6.33087      0.382261 6.03502      0.402607 2.51593  0.0759682 2.45641  0.0819503 
1 1 1 19 3  6  o 10.8891  0.0803515 118.593      1.74991  118.049      2.49587  119.119      2.45416  10.8631  0.114878  10.9123  0.112449  
1 1 1 19 3  7  o 6.24318  0.0586608 38.981       0.73246  39.5132      1.07709  38.5231      0.999023 6.28531  0.0856828 6.20614  0.0804867 
1 1 1 19 3  8  o 6.91085  0.0616381 47.7648      0.851943 48.3194      1.1908   47.1833      1.21937  6.95051  0.0856626 6.86826  0.0887685 
1 1 1 19 3  9  o 7.51468  0.0634333 56.4764      0.953362 57.1558      1.37405  55.8458      1.32386  7.55931  0.0908847 7.47223  0.0885855 
1 1 1 19 3  10 o 8.3909   0.0695625 70.4157      1.16738  70.8573      1.65486  69.9784      1.64703  8.41664  0.0983087 8.36428  0.0984562 
1 1 1 19 3  11 o 10.7459  0.0797374 115.492      1.7137   116.501      2.43755  114.506      2.40976  10.7919  0.112935  10.6991  0.112615  
1 1 1 19 3  12 o 8.73091  0.0694478 76.2373      1.21269  78.5665      1.7692   74.1732      1.66549  8.86273  0.099811  8.61144  0.0967022 
1 1 1 19 3  13 o 2.82465  0.0924463 7.97994      0.522256 8.11684      0.749965 7.85104      0.727701 2.84852  0.131641  2.80151  0.129877  
1 1 1 19 3  14 o 6.12791  0.0662578 37.554       0.812044 36.8984      1.15754  38.1894      1.13948  6.07395  0.0952876 6.17932  0.092201  
1 1 1 19 3  15 o 10.3959  0.0877945 108.087      1.82541  103.183      2.56017  113.158      2.60341  10.1567  0.126033  10.6364  0.122382  
1 1 1 19 3  16 o 3.03172  0.0935963 9.19249      0.567515 9.08953      0.767433 9.31675      0.843062 3.01451  0.12729   3.05189  0.138121  
1 1 1 19 3  17 o 3.21977  0.0929535 10.3683      0.598578 10.2957      0.853908 10.4384      0.839315 3.20825  0.13308   3.23042  0.129908  
1 1 1 19 3  18 o 6.13954  0.0727932 37.6975      0.893833 36.9419      1.24607  38.4984      1.28288  6.0774   0.102517  6.20411  0.103389  
1 1 1 19 3  19 o 5.04358  0.0829046 25.4413      0.836272 24.9324      1.15241  26.0073      1.21544  4.99255  0.115413  5.09899  0.119185  
1 1 1 19 3  20 o 15.6511  0.114004  245.027      3.56858  247.206      5.03408  242.825      5.05947  15.7184  0.160134  15.5783  0.162388  
1 1 1 19 3  21 o 7.82974  0.0961374 61.3191      1.50546  59.2394      2.04384  63.7857      2.22588  7.69499  0.132803  7.98463  0.139385  
1 1 1 19 3  22 o 8.76638  0.0914773 76.8682      1.60385  77.5496      2.28747  76.2093      2.24938  8.80404  0.12991   8.72766  0.128865  
1 1 1 19 3  23 o 10.2267  0.107675  104.63       2.20233  105.982      3.1088   103.268      3.12035  10.2905  0.151052  10.1577  0.153595  
1 1 1 19 3  24 o 13.7748  0.109248  189.853      3.00975  191.401      4.27538  188.332      4.23773  13.8269  0.154603  13.7156  0.154485  
1 1 1 19 3  25 o 5.06011  0.108606  25.6222      1.09911  25.0231      1.53764  26.2482      1.57168  4.99889  0.153798  5.11981  0.15349   
1 1 1 19 3  26 o 9.30967  0.0963455 86.7273      1.79389  89.3542      2.57907  84.2652      2.49681  9.44639  0.136511  9.17348  0.136089  
1 1 1 19 3  27 o 4.07175  0.12689   16.6045      1.03333  15.8797      1.46428  17.3235      1.45843  3.97856  0.184021  4.15611  0.175457  
1 1 1 19 3  28 f 2.20393  0.215025  4.88306      0.9478   4.70679      1.34652  5.05615      1.33434  2.15744  0.312065  2.23715  0.298224  
1 1 1 19 3  29 o 6.50284  0.0977176 42.3441      1.27088  41.4278      1.7827   43.2911      1.81227  6.42766  0.138674  6.57072  0.137905  
1 1 1 19 3  30 o 3.23815  0.143676  10.5226      0.930488 10.1521      1.31826  10.8905      1.31357  3.17447  0.207635  3.28881  0.199703  
1 1 1 19 3  31 f 0.543209 0.262256  -1.32869     0.857212 -1.3463      1.21701  -1.31134     1.20761  0.700372 0.33017   0.700409 0.329808  
1 1 1 19 3  32 o 2.92989  0.171543  8.64519      1.0052   8.3181       1.44058  8.95557      1.4033   2.86235  0.251642  2.97269  0.236032  
1 1 1 19 3  33 o 2.62791  0.182307  6.97322      0.958171 6.35366      1.32438  7.65371      1.38798  2.49518  0.265387  2.74106  0.253182  
1 1 1 19 3  34 o 3.61958  0.153481  13.209       1.11107  12.7405      1.5781   13.6695      1.56456  3.53858  0.222985  3.66801  0.213271  
1 1 1 19 3  35 o 3.56515  0.150621  12.8202      1.07397  12.4652      1.54825  13.1495      1.49102  3.49799  0.221306  3.59679  0.207271  
1 1 1 19 3  36 o 0.881996 0.355898  0.436468     0.969436 0.753608     1.32186  0.0673679    1.42604  1.05169  0.419036  0.953303 0.411058  
1 1 1 19 3  37 f 1.64078  0.318039  2.9266       1.00641  2.99761      1.37132  2.84369      1.48164  1.62229  0.419606  1.57291  0.448802  
1 1 1 19 3  38 o 3.11794  0.185808  9.93471      1.15868  11.0802      1.64821  8.81549      1.62919  3.26266  0.252587  2.89659  0.281227  
1 1 1 19 3  39 o 1.06493  0.388404  1.12729      1.0759   -0.536467    1.55192  2.66691      1.4929   0.882456 0.401287  1.4978   0.456832  
1 1 1 19 3  40 o 1.95572  0.283351  4.09378      1.10831  2.66556      1.53575  5.64609      1.60107  1.47729  0.465953  2.25526  0.354964  
1 1 1 19 3  41 o 2.18935  0.245793  5.116        1.07625  4.45242      1.52498  5.77451      1.51914  1.91254  0.41051   2.26467  0.335399  
1 1 1 19 3  42 o 1.07163  0.383987  1.32414      1.04749  -1.02041     1.44659  3.90865      1.51881  0.761047 0.359123  1.73887  0.436911  
1 1 1 19 3  43 o 1.17719  0.38715   1.8043       1.05457  2.73507      1.48423  0.855375     1.49864  1.37464  0.459296  0.985758 0.423137  
1 1 1 19 3  44 o 0.720287 0.332691  -0.259802    1.12624  0.568514     1.56944  -1.13919     1.6171   0.917833 0.411688  0.748423 0.361054  
1 1 1 19 3  45 o 1.04355  0.405073  1.68668      1.21128  2.18696      1.66175  1.11954      1.76931  1.107    0.458738  0.952748 0.431725  
1 1 1 19 3  46 o 0.779276 0.358593  0.597824     1.29311  2.35436      1.80667  -1.24721     1.85162  0.994531 0.444007  0.696253 0.345826  
1 1 1 19 3  47 o 0.726871 0.34848   0.56425      1.44935  3.8962       2.08755  -2.53649     2.01382  0.98824  0.455115  0.611237 0.311295  
1 1 1 19 4  0  f 1.23898  0.141159  1.59439      0.339453 1.59439      0.339453 1.59439      0.339453 1.2514   0.0972554 ?        ?         
1 1 1 19 4  1  o 11.8648  0.0883496 140.802      2.0965   142.649      3.00082  139.04       2.93023  11.9411  0.125651  11.7892  0.124276  
1 1 1 19 4  2  f 2.41834  0.0521918 5.84878      0.252435 5.91469      0.358853 5.78421      0.355169 2.43184  0.0737823 2.40487  0.0738439 
1 1 1 19 4  3  o 24.022   0.162959  577.461      7.82921  584.507      11.1937  570.712      10.9545  24.1595  0.231663  23.873   0.229433  
1 1 1 19 4  4  o 2.9266   0.0491044 8.56551      0.287418 8.48067      0.393572 8.66246      0.420724 2.91198  0.0675781 2.943    0.0714787 
1 1 1 19 4  5  o 10.6498  0.074507  113.435      1.58697  113.678      2.24776  113.194      2.24088  10.6604  0.105426  10.6377  0.105328  
1 1 1 19 4  6  o 6.88961  0.0593283 47.4713      0.817497 47.6108      1.165    47.3359      1.14743  6.89938  0.084428  6.87945  0.0833954 
1 1 1 19 4  7  o 7.93025  0.0740655 62.8985      1.17472  62.4916      1.6389   63.3285      1.68464  7.90397  0.103676  7.95667  0.105863  
1 1 1 19 4  8  o 6.27228  0.0596814 39.3452      0.748677 39.1461      1.04355  39.5564      1.07471  6.25609  0.083403  6.28877  0.0854468 
1 1 1 19 4  9  o 22.6193  0.156527  511.959      7.08109  512.38       9.91508  511.52       10.1163  22.6217  0.21915   22.602   0.223792  
1 1 1 19 4  10 o 10.3606  0.0804972 107.358      1.66799  107.933      2.36738  106.792      2.35051  10.3874  0.113954  10.3323  0.113745  
1 1 1 19 4  11 o 9.22271  0.0717357 85.0689      1.3232   85.116       1.86897  85.0215      1.8736   9.22469  0.101302  9.21956  0.10161   
1 1 1 19 4  12 o 3.99066  0.0653566 15.9269      0.521632 15.91        0.720561 15.9455      0.75612  3.98836  0.0903329 3.99278  0.094686  
1 1 1 19 4  13 o 5.19697  0.0660315 27.0107      0.686328 27.3979      0.975012 26.6303      0.966274 5.23388  0.0931443 5.16004  0.0936306 
1 1 1 19 4  14 o 9.08224  0.076497  82.4946      1.38953  82.2044      2.0246   82.7531      1.91054  9.06576  0.111662  9.09607  0.10502   
1 1 1 19 4  15 o 13.7582  0.103582  189.319      2.85022  187.399      4.03724  191.227      4.02441  13.6871  0.147483  13.8263  0.145535  
1 1 1 19 4  16 o 8.09257  0.0835334 65.4965      1.352    64.2453      1.95997  66.6324      1.86742  8.0144   0.122278  8.16205  0.114397  
1 1 1 19 4  17 o 12.8455  0.107743  165.038      2.76802  174.831      4.25931  157.877      3.64194  13.2196  0.161098  12.5628  0.144949  
1 1 1 19 4  18 o 9.04573  0.0780275 81.8346      1.41163  84.1991      2.02527  79.6005      1.96863  9.17495  0.11037   8.92088  0.110338  
1 1 1 19 4  19 o 5.26385  0.0832413 27.7121      0.87634  27.5189      1.2458   27.9014      1.23297  5.24507  0.118759  5.28142  0.116727  
1 1 1 19 4  20 o 17.7966  0.133559  316.845      4.75379  317.327      6.72455  316.363      6.7212   17.8065  0.188823  17.7794  0.189016  
1 1 1 19 4  21 f 6.67022  0.0930553 44.5018      1.2414   44.6499      1.75107  44.3521      1.76017  6.68056  0.131057  6.65822  0.132181  
1 1 1 19 4  22 o 8.32293  0.0951033 69.29        1.58308  68.9651      2.22155  69.6252      2.25647  8.30227  0.133792  8.34186  0.13525   
1 1 1 19 4  23 o 13.2254  0.113159  174.997      2.99316  172.967      4.19343  177.105      4.27365  13.1453  0.159503  13.3015  0.160645  
1 1 1 19 4  24 o 16.0615  0.121157  258.157      3.89192  261.873      5.55564  254.576      5.4538   16.1708  0.17178   15.944   0.17103   
1 1 1 19 4  25 o 15.2351  0.11894   232.305      3.62415  235.592      5.11023  228.98       5.14054  15.3363  0.166606  15.119   0.170003  
1 1 1 19 4  26 f 3.87441  0.129812  15.0298      1.00589  14.8354      1.39624  15.2395      1.45039  3.84694  0.181474  3.89873  0.186007  
1 1 1 19 4  27 o 4.26268  0.124926  18.1987      1.06503  18.6766      1.51886  17.7365      1.49383  4.31502  0.175997  4.2049   0.177629  
1 1 1 19 4  28 o 2.11083  0.218522  4.4808       0.922525 3.6662       1.32259  5.25265      1.28742  1.86897  0.366906  2.2811   0.282193  
1 1 1 19 4  29 o 6.90766  0.0977407 47.7816      1.35032  48.5441      1.89127  46.9887      1.92856  6.95801  0.135906  6.84495  0.140874  
1 1 1 19 4  30 o 7.78938  0.094359  60.7695      1.47     60.2201      2.06748  61.3312      2.09049  7.74797  0.133421  7.81908  0.133679  
1 1 1 19 4  31 o 2.22438  0.20005   4.98874      0.889978 4.90377      1.23707  5.0799       1.28134  2.19665  0.28158   2.23511  0.286638  
1 1 1 19 4  32 o 9.25865  0.106097  85.9622      1.96462  87.4189      2.85766  84.6566      2.70538  9.32273  0.153263  9.17624  0.147412  
1 1 1 19 4  33 o 2.65831  0.180752  7.1355       0.960987 6.04843      1.31928  8.36428      1.40263  2.43294  0.271129  2.86674  0.244638  
1 1 1 19 4  34 o 3.25727  0.167973  10.717       1.09427  12.6742      1.58218  8.9224       1.51505  3.52829  0.224214  2.95224  0.256594  
1 1 1 19 4  35 o 7.32761  0.106204  53.9303      1.55644  52.9875      2.22693  54.8306      2.17623  7.24591  0.153668  7.37348  0.147571  
1 1 1 19 4  36 o 1.9369   0.257167  3.87405      0.996214 4.26173      1.33915  3.39363      1.49073  2.01052  0.333035  1.73255  0.431365  
1 1 1 19 4  37 o 1.51005  0.347507  2.52296      1.02838  2.14272      1.39865  2.97043      1.51729  1.38456  0.445486  1.60407  0.453045  
1 1 1 19 4  38 o 1.70961  0.329107  3.21188      1.08513  3.37479      1.56317  3.06035      1.50755  1.69598  0.45237   1.61697  0.449949  
1 1 1 19 4  39 o 0.948697 0.375521  0.68778      1.05519  1.65202      1.50581  -0.242506    1.47907  1.24847  0.45909   0.899414 0.401635  
1 1 1 19 4  40 o 0.981033 0.382861  0.830686     1.08509  1.82341      1.52166  -0.196397    1.54777  1.27296  0.46214   0.9152   0.409713  
1 1 1 19 4  41 o 1.3847   0.371834  2.29848      1.05171  2.36642      1.50133  2.23302      1.47374  1.3649   0.461933  1.33295  0.457588  
1 1 1 19 4  42 o 1.01647  0.375852  1.14144      1.0112   0.785417     1.38901  1.54289      1.47497  0.9924   0.415818  1.1498   0.446856  
1 1 1 19 4  43 o 1.00247  0.384577  1.18881      1.0845   -0.194764    1.48061  2.79036      1.59297  0.83271  0.383404  1.36371  0.475001  
1 1 1 19 4  44 o 0.983745 0.392741  1.22961      1.16327  2.98151      1.61164  -0.675803    1.68077  1.33921  0.476649  0.79612  0.380132  
1 1 1 19 4  45 o 0.557222 0.276767  -1.93039     1.18578  -3.07712     1.66695  -0.75574     1.68712  0.612496 0.308185  0.757758 0.366229  
1 1 1 19 4  46 o 0.692384 0.330119  -0.0838601   1.25583  2.0277       1.76448  -2.25153     1.78777  0.94996  0.430763  0.633153 0.318582  
1 1 1 19 4  47 o 0.802987 0.374629  1.45243      1.47471  1.83671      1.98242  0.976313     2.20665  0.806656 0.39138   0.754104 0.374967  
1 1 1 19 5  0  o 11.4305  0.121398  130.726      2.77457  130.726      2.77457  130.726      2.77457  11.432   0.0858189 ?        ?         
1 1 1 19 5  1  o 4.17955  0.0453171 17.4696      0.37881  16.8774      0.535654 18.062       0.535782 4.10799  0.0651966 4.24972  0.0630374 
1 1 1 19 5  2  o 8.40445  0.0623355 70.642       1.04779  70.448       1.46311  70.8463      1.50122  8.39248  0.0871681 8.41613  0.0891873 
1 1 1 19 5  3  o 13.0541  0.0906561 170.446      2.36686  171.341      3.36326  169.567      3.33145  13.0868  0.128498  13.0189  0.127946  
1 1 1 19 5  4  o 17.7331  0.118716  314.582      4.21038  314.774      5.95577  314.39       5.953    17.7351  0.167909  17.7243  0.167933  
1 1 1 19 5  5  o 17.5433  0.128727  307.907      4.5166   310.097      6.43238  305.777      6.34343  17.6015  0.182722  17.4786  0.181463  
1 1 1 19 5  6  o 18.9569  0.139174  359.558      5.2766   362.901      7.53456  356.34       7.39197  19.0396  0.197866  18.8669  0.195898  
1 1 1 19 5  7  o 10.7865  0.0822949 116.37       1.77534  115.821      2.53301  116.899      2.489    10.76    0.117705  10.81    0.115125  
1 1 1 19 5  8  o 15.8277  0.122246  250.614      3.86975  250.662      5.26674  250.558      5.70477  15.8265  0.16639   15.8222  0.180278  
1 1 1 19 5  9  o 4.64718  0.0582745 21.5982      0.541625 21.7078      0.760734 21.4855      0.771322 4.65877  0.0816455 4.63483  0.0832093 
1 1 1 19 5  10 o 5.74599  0.0607841 33.0193      0.69853  33.2933      0.993449 32.7514      0.982384 5.76951  0.0860948 5.72236  0.0858372 
1 1 1 19 5  11 o 13.545   0.0943833 183.504      2.55683  182.504      3.59603  184.526      3.63612  13.5066  0.133121  13.5811  0.133867  
1 1 1 19 5  12 o 9.97784  0.0786525 99.5699      1.56956  98.1439      2.1413   101.226      2.30739  9.90555  0.108086  10.0597  0.114685  
1 1 1 19 5  13 o 13.6276  0.0979519 185.742      2.6697   190.446      3.85497  181.406      3.70079  13.7979  0.139694  13.4665  0.137408  
1 1 1 19 5  14 o 23.2321  0.161384  539.941      7.49856  544.547      10.8049  535.661      10.415   23.3259  0.231607  23.1354  0.225089  
1 1 1 19 5  15 o 15.315   0.114592  234.594      3.50995  234.017      4.94775  235.178      4.98006  15.2946  0.161748  15.3325  0.162402  
1 1 1 19 5  16 f 27.3574  0.189495  748.831      10.3682  733.608      14.5431  764.565      14.7857  27.0702  0.268617  27.6356  0.267511  
1 1 1 19 5  17 o 6.63495  0.0723548 44.0263      0.960141 42.4025      1.33793  45.7505      1.37867  6.51114  0.102742  6.76332  0.101923  
1 1 1 19 5  18 o 17.6581  0.12282   311.899      4.33754  311.357      6.12032  312.446      6.14819  17.6401  0.173478  17.6709  0.173964  
1 1 1 19 5  19 o 11.5872  0.0903517 134.286      2.09384  135.66       2.97829  132.943      2.94427  11.6453  0.127876  11.5281  0.1277    
1 1 1 19 5  20 o 6.45846  0.0893612 41.7193      1.15427  42.5824      1.65753  40.9067      1.60835  6.5243   0.127027  6.39466  0.125757  
1 1 1 19 5  21 o 12.021   0.101268  144.544      2.43468  144.133      3.4131   144.97       3.47402  12.0023  0.142185  12.037   0.144306  
1 1 1 19 5  22 o 9.07374  0.0988799 82.3578      1.79442  85.8515      2.61061  79.2289      2.47056  9.26274  0.14092   8.89839  0.138821  
1 1 1 19 5  23 o 4.71877  0.110069  22.2776      1.03878  22.1159      1.43231  22.4571      1.50877  4.70054  0.152356  4.73646  0.159272  
1 1 1 19 5  24 o 5.91985  0.0976484 35.0616      1.15613  35.5538      1.62413  34.5559      1.64612  5.9599   0.136254  5.87551  0.140083  
1 1 1 19 5  25 o 5.44054  0.104179  29.6192      1.13358  29.3524      1.58195  29.9008      1.62516  5.4142   0.146093  5.46441  0.148704  
1 1 1 19 5  26 o 7.28098  0.093877  53.0487      1.36703  54.7276      1.92725  51.3486      1.93936  7.39292  0.130345  7.16069  0.135417  
1 1 1 19 5  27 o 6.88356  0.100322  47.4328      1.38115  50.3566      2.02115  44.8715      1.89173  7.08883  0.142559  6.69174  0.141348  
1 1 1 19 5  28 o 5.23298  0.10569   27.4216      1.10615  25.743       1.54541  29.185       1.58397  5.06652  0.152512  5.39517  0.146795  
1 1 1 19 5  29 o 0.790131 0.331431  0.106125     0.884061 0.736356     1.23178  -0.563384    1.26958  1.0521   0.408467  0.824232 0.369976  
1 1 1 19 5  30 o 2.34109  0.188696  5.51592      0.883509 5.55543      1.24998  5.47648      1.24896  2.34193  0.26687   2.32504  0.268588  
1 1 1 19 5  31 o 1.16899  0.341887  1.42709      0.849497 2.74308      1.20464  0.125285     1.19813  1.60106  0.381162  0.90945  0.383859  
1 1 1 19 5  32 o 2.8451   0.174593  8.15782      0.993466 9.88584      1.45539  6.6501       1.35946  3.12262  0.23304   2.55582  0.265953  
1 1 1 19 5  33 o 3.8617   0.133039  14.993       1.02751  13.6109      1.39515  16.6313      1.51896  3.66918  0.190118  4.05657  0.187223  
1 1 1 19 5  34 o 2.38574  0.216987  5.78848      1.03535  4.96985      1.46507  6.60519      1.46334  2.18521  0.335225  2.53198  0.288972  
1 1 1 19 5  35 o 4.04059  0.138611  16.4505      1.12014  16.7812      1.61486  16.1439      1.55506  4.06482  0.198639  3.98801  0.194967  
1 1 1 19 5  36 o 5.08895  0.118921  26.0803      1.21036  26.271       1.65836  25.8629      1.77057  5.09213  0.162836  5.04718  0.175401  
1 1 1 19 5  37 o 1.74249  0.312341  3.28946      1.04906  4.13978      1.42792  2.29224      1.54635  1.92695  0.384124  1.42771  0.468808  
1 1 1 19 5  38 o 2.19103  0.249883  4.99837      1.095    5.32375      1.5931   4.707        1.50757  2.21441  0.359713  2.04778  0.382304  
1 1 1 19 5  39 o 1.88438  0.287209  3.77354      1.08242  4.06609      1.50262  3.45799      1.56057  1.86989  0.412849  1.7005   0.451275  
1 1 1 19 5  40 o 2.13428  0.266289  4.84014      1.13667  5.99497      1.57531  3.58585      1.64174  2.33379  0.3375    1.70293  0.467861  
1 1 1 19 5  41 o 1.09667  0.380654  1.37687      1.02225  1.57482      1.41501  1.16079      1.47842  1.17415  0.442516  1.09425  0.440349  
1 1 1 19 5  42 o 0.596847 0.286579  -1.1181      0.989578 -1.15113     1.36332  -1.08131     1.43867  0.720459 0.343612  0.749468 0.355589  
1 1 1 19 5  43 o 0.657859 0.30959   -0.691581    1.06106  -2.85331     1.46834  1.6709       1.535    0.607131 0.302437  1.12499  0.450362  
1 1 1 19 5  44 o 0.824115 0.362905  0.432946     1.15876  1.36556      1.60037  -0.594788    1.68     1.02174  0.437878  0.798748 0.381067  
1 1 1 19 5  45 o 0.816518 0.363885  0.529486     1.20865  0.147363     1.74776  0.879723     1.67326  0.841055 0.39625   0.911474 0.41507   
1 1 1 19 5  46 o 0.828089 0.369284  1.03747      1.24661  1.15182      1.73439  0.915262     1.79302  0.848529 0.398385  0.828439 0.394862  
1 1 1 19 5  47 o 0.653961 0.322721  -0.348337    1.53704  -0.943217    2.19057  0.228565     2.15722  0.672633 0.3398    0.717836 0.35884   
1 1 1 19 6  0  o 8.17571  0.0834868 66.8694      1.36481  66.8694      1.36481  66.8694      1.36481  8.17654  0.0590212 ?        ?         
1 1 1 19 6  1  f 6.26072  0.0497736 39.1992      0.623238 38.4968      0.860409 39.9746      0.903987 6.20418  0.0693411 6.32211  0.0714941 
1 1 1 19 6  2  o 11.2365  0.0788226 126.28       1.77138  127.075      2.51943  125.504      2.49104  11.2709  0.111767  11.201   0.111197  
1 1 1 19 6  3  o 15.7711  0.108209  248.808      3.41315  245.641      4.76935  252.133      4.88663  15.668   0.152201  15.8736  0.153923  
1 1 1 19 6  4  o 5.30934  0.0496159 28.191       0.526855 27.9131      0.753973 28.4562      0.736505 5.28292  0.0713596 5.33408  0.0690376 
1 1 1 19 6  5  o 3.38035  0.051356  11.4276      0.347202 11.598       0.482434 11.2444      0.500077 3.40535  0.0708347 3.35301  0.0745713 
1 1 1 19 6  6  o 2.77031  0.0576422 7.67533      0.319373 7.62499      0.45503  7.72421      0.448368 2.76108  0.0824007 2.77899  0.080671  
1 1 1 19 6  7  o 16.2687  0.116343  264.766      3.78548  268.557      5.49148  261.333      5.22538  16.3815  0.167613  16.1601  0.161675  
1 1 1 19 6  8  f 5.54353  0.0697044 30.7346      0.772817 30.2672      1.0532   31.2798      1.13753  5.50091  0.0957292 5.59208  0.101709  
1 1 1 19 6  9  o 19.2821  0.135603  371.968      5.22942  371.879      7.39331  372.057      7.39772  19.2753  0.191782  19.2799  0.191851  
1 1 1 19 6  10 o 12.4478  0.0946663 154.98       2.35677  154.902      3.21442  155.071      3.46568  12.4434  0.129161  12.4498  0.139186  
1 1 1 19 6  11 o 6.2519   0.0618995 39.0897      0.773979 38.8414      1.07605  39.356       1.11408  6.23174  0.0863363 6.27285  0.088802  
1 1 1 19 6  12 f 14.4925  0.106836  210.08       3.09664  211.464      4.35036  208.659      4.40884  14.5386  0.149614  14.4417  0.152642  
1 1 1 19 6  13 o 7.13387  0.0665523 50.8958      0.949551 54.648       1.35075  47.23        1.33512  7.39191  0.091367  6.87187  0.0971438 
1 1 1 19 6  14 o 18.0181  0.128622  324.732      4.63507  328.635      6.62802  320.997      6.4843   18.1238  0.182854  17.912   0.181004  
1 1 1 19 6  15 o 9.65851  0.0833684 93.2963      1.61043  88.9189      2.19631  98.3866      2.36839  9.42871  0.116469  9.91793  0.119399  
1 1 1 19 6  16 o 10.6752  0.0839908 113.971      1.79323  114.354      2.53887  113.59       2.53316  10.6925  0.118722  10.6567  0.118853  
1 1 1 19 6  17 o 10.0042  0.083072  100.097      1.66215  98.8781      2.34986  101.317      2.3514   9.94253  0.118172  10.0644  0.116817  
1 1 1 19 6  18 o 26.9554  0.183001  727.087      9.86573  726.409      14.0877  727.74       13.8207  26.9333  0.261529  26.9587  0.256331  
1 1 1 19 6  19 o 4.82669  0.0848473 23.3006      0.819064 22.7078      1.14156  23.9295      1.17587  4.76454  0.119797  4.89101  0.120207  
1 1 1 19 6  20 f 14.3658  0.11703   206.444      3.36247  208.51       4.83235  204.505      4.68173  14.435   0.167383  14.2959  0.163744  
1 1 1 19 6  21 o 17.1187  0.127675  293.183      4.37128  291.988      6.15858  294.397      6.20553  17.08    0.180287  17.1502  0.180917  
1 1 1 19 6  22 o 9.91007  0.10621   98.2453      2.1051   101.073      3.01751  95.5643      2.93818  10.0498  0.150127  9.77213  0.150335  
1 1 1 19 6  23 o 8.67392  0.091254  75.2636      1.58306  73.7623      2.18643  76.9178      2.29509  8.58549  0.127333  8.76703  0.130893  
1 1 1 19 6  24 o 8.1306   0.0922173 66.1363      1.49956  65.6078      2.11266  66.6729      2.12884  8.09624  0.130472  8.1617   0.130416  
1 1 1 19 6  25 o 8.13173  0.0920194 66.1608      1.49655  65.7478      2.04996  66.6321      2.18985  8.10431  0.126473  8.1581   0.134213  
1 1 1 19 6  26 f 3.14384  0.149723  9.9016       0.941409 10.4866      1.30416  9.26517      1.36032  3.23294  0.201698  3.03768  0.223909  
1 1 1 19 6  27 o 7.63649  0.098611  58.3762      1.50608  59.7846      2.2225   57.1803      2.04803  7.7236   0.143877  7.55443  0.135552  
1 1 1 19 6  28 o 5.9141   0.0993557 35.0206      1.1752   37.1601      1.65091  32.8227      1.67328  6.08878  0.13557   5.72131  0.146233  
1 1 1 19 6  29 o 1.85685  0.236749  3.47718      0.879212 2.6516       1.20977  4.40136      1.27998  1.57943  0.385767  2.08291  0.307258  
1 1 1 19 6  30 o 2.78164  0.158458  7.7736       0.88155  7.73279      1.24223  7.81501      1.25121  2.76786  0.224403  2.78248  0.224838  
1 1 1 19 6  31 o 1.91887  0.227377  3.72286      0.872614 3.96343      1.23513  3.48313      1.23299  1.97035  0.31343   1.81373  0.352485  
1 1 1 19 6  32 o 2.16929  0.222493  4.76762      0.965301 5.08725      1.36002  4.44313      1.37032  2.22831  0.305168  2.07832  0.32967   
1 1 1 19 6  33 o 0.953026 0.353672  0.754371     0.897    0.0785509    1.2753   1.41606      1.2619   0.919703 0.392408  1.20995  0.422643  
1 1 1 19 6  34 o 1.30792  0.382669  1.84068      1.06405  2.2388       1.56436  1.49791      1.45154  1.44802  0.471531  1.25556  0.451805  
1 1 1 19 6  35 o 2.10685  0.230514  4.53277      0.971316 4.11546      1.37606  4.94717      1.37125  1.94951  0.366403  2.18151  0.314289  
1 1 1 19 6  36 o 2.22201  0.230322  5.06907      1.02355  6.11475      1.41313  3.91501      1.48456  2.42166  0.291769  1.8707   0.408094  
1 1 1 19 6  37 o 0.776801 0.340123  -0.101048    1.00601  1.67813      1.43347  -1.82783     1.4122   1.268    0.449708  0.709332 0.341016  
1 1 1 19 6  38 o 2.26225  0.250967  5.33533      1.1355   4.33516      1.66331  6.20829      1.55393  1.92827  0.440726  2.40842  0.322605  
1 1 1 19 6  39 o 1.29754  0.38794   1.92361      1.08378  0.66729      1.46771  3.43004      1.60717  1.04096  0.431234  1.68713  0.46264   
1 1 1 19 6  40 o 1.5651   0.363523  2.82719      1.11711  3.11608      1.5356   2.50243      1.62813  1.59142  0.457815  1.4312   0.481046  
1 1 1 19 6  41 o 2.69995  0.200632  7.64011      1.08339  8.01011      1.52427  7.26236      1.54015  2.70528  0.281722  2.56053  0.300748  
1 1 1 19 6  42 o 1.25391  0.380962  1.96444      1.03954  1.18251      1.44865  2.79455      1.4926   1.06718  0.43324   1.43309  0.460116  
1 1 1 19 6  43 o 0.67746  0.317157  -0.551056    1.07082  -2.61569     1.43307  2.05897      1.61127  0.610468 0.303357  1.19779  0.46673   
1 1 1 19 6  44 o 1.19479  0.412738  2.14524      1.20061  2.1907       1.64927  2.09398      1.75115  1.15238  0.464536  1.13001  0.469757  
1 1 1 19 6  45 o 0.763002 0.350089  0.157963     1.22267  -1.45186     1.71675  1.81504      1.74176  0.709057 0.349034  1.02924  0.449119  
1 1 1 19 6  46 o 0.601865 0.296438  -1.04807     1.24132  -1.98763     1.72795  -0.0461303   1.78438  0.634292 0.317146  0.754251 0.367422  
1 1 1 19 7  0  o 1.65037  0.102364  2.75541      0.334897 2.75541      0.334897 2.75541      0.334897 1.65522  0.0718414 ?        ?         
1 1 1 19 7  1  o 14.3416  0.0967297 205.733      2.77451  207.805      3.95933  203.734      3.88913  14.4117  0.137365  14.2699  0.13627   
1 1 1 19 7  2  o 14.7374  0.1014    217.252      2.98875  217.617      4.23355  216.889      4.21994  14.7477  0.143533  14.723   0.143311  
1 1 1 19 7  3  o 1.38376  0.0861715 1.9152       0.238482 1.58514      0.317574 2.34202      0.361139 1.25875  0.126147  1.53007  0.118014  
1 1 1 19 7  4  o 8.11437  0.0666904 65.8511      1.0823   65.737       1.52372  65.9673      1.53758  8.10684  0.0939776 8.12102  0.0946667 
1 1 1 19 7  5  o 2.91455  0.0524465 8.49525      0.305716 8.20832      0.433027 8.78038      0.431671 2.86479  0.0755775 2.96295  0.0728447 
1 1 1 19 7  6  o 20.8087  0.145214  433.251      6.04345  434.157      8.37889  432.269      8.72507  20.825   0.201174  20.7786  0.209953  
1 1 1 19 7  7  o 3.4458   0.0571361 11.8746      0.39376  12.778       0.589119 11.1451      0.529379 3.57431  0.0824102 3.33815  0.0792922 
1 1 1 19 7  8  o 20.4645  0.150332  419.033      6.15295  423.932      8.80236  414.353      8.60419  20.5776  0.213882  20.3441  0.211467  
1 1 1 19 7  9  o 15.8207  0.110045  250.368      3.48198  257.752      4.9516   243.144      4.89738  16.05    0.154256  15.5883  0.157084  
1 1 1 19 7  10 o 15.3305  0.108471  235.09       3.32585  237.937      4.80311  232.468      4.60977  15.4207  0.155735  15.2427  0.151212  
1 1 1 19 7  11 o 3.42457  0.0729767 11.729       0.499828 11.5647      0.686729 11.9141      0.728881 3.40032  0.10098   3.45127  0.105596  
1 1 1 19 7  12 o 9.38501  0.0829724 88.0894      1.55739  88.161       2.11207  88.004       2.30561  9.38832  0.112484  9.37975  0.122904  
1 1 1 19 7  13 o 10.7661  0.0817516 115.92       1.76029  117.126      2.51732  114.767      2.46244  10.8213  0.116313  10.7118  0.11494   
1 1 1 19 7  14 o 3.25368  0.0825834 10.5875      0.5374   10.4926      0.751495 10.6868      0.768796 3.2389   0.116011  3.26873  0.117599  
1 1 1 19 7  15 o 7.2163   0.0712484 52.079       1.0283   51.4373      1.44527  52.7368      1.46337  7.17142  0.100766  7.26145  0.100763  
1 1 1 19 7  16 o 17.6225  0.122854  310.625      4.33001  313.66       6.24013  307.808      6.01328  17.7061  0.176214  17.5404  0.171412  
1 1 1 19 7  17 o 21.7477  0.15259   473.162      6.63696  469.064      9.20322  477.603      9.58029  21.6489  0.212556  21.8445  0.219284  
1 1 1 19 7  18 o 12.5378  0.0941433 157.225      2.3607   157.492      3.33492  156.957      3.34216  12.5473  0.132894  12.5259  0.13341   
1 1 1 19 7  19 o 6.57904  0.0813413 43.29        1.0703   44.8927      1.52562  41.7368      1.50192  6.69925  0.113865  6.45944  0.116257  
1 1 1 19 7  20 o 4.16978  0.109736  17.3922      0.915147 16.9933      1.28603  17.8014      1.30255  4.12104  0.156033  4.21793  0.154407  
1 1 1 19 7  21 o 8.93316  0.0905246 79.82        1.61734  80.6785      2.28313  78.9552      2.29143  8.98004  0.127122  8.88355  0.12897   
1 1 1 19 7  22 o 10.816   0.10989   117.034      2.37715  116.482      3.36094  117.587      3.36266  10.7882  0.155769  10.8393  0.155114  
1 1 1 19 7  23 f 7.43105  0.0905731 55.2409      1.34611  55.1923      1.89367  55.2904      1.91385  7.42641  0.127496  7.43296  0.128741  
1 1 1 19 7  24 o 6.07532  0.0990429 36.9294      1.20343  38.3211      1.69293  35.5078      1.71104  6.18723  0.136808  5.95548  0.143653  
1 1 1 19 7  25 o 4.88421  0.107186  23.8737      1.04703  24.236       1.43924  23.4664      1.52603  4.91946  0.14628   4.84016  0.157643  
1 1 1 19 7  26 o 1.3099   0.339572  1.79777      0.896796 1.36483      1.24191  2.2695       1.29636  1.2166   0.419825  1.47621  0.419355  
1 1 1 19 7  27 o 7.63516  0.0954591 58.3536      1.45769  60.0916      2.10634  56.7561      2.01938  7.74409  0.135997  7.5263   0.134155  
1 1 1 19 7  28 o 6.9302   0.095199  48.0854      1.3195   49.5085      1.82143  46.5138      1.91412  7.02839  0.129576  6.81118  0.140513  
1 1 1 19 7  29 o 4.42809  0.115168  19.6488      1.01995  19.1333      1.42377  20.1923      1.46184  4.36496  0.163091  4.48414  0.163001  
1 1 1 19 7  30 o 5.27122  0.102016  27.8412      1.0755   27.6841      1.52037  27.9985      1.52159  5.25105  0.144769  5.28088  0.144066  
1 1 1 19 7  31 o 1.38254  0.318645  2.02943      0.863601 1.94311      1.21074  2.11884      1.23218  1.36075  0.410681  1.41375  0.411205  
1 1 1 19 7  32 o 2.87848  0.173759  8.35447      1.00033  8.8766       1.36488  7.74854      1.47035  2.95798  0.230712  2.75703  0.266654  
1 1 1 19 7  33 o 3.36101  0.144141  11.371       0.96892  12.8205      1.401    10.0421      1.34146  3.55849  0.196854  3.14604  0.213197  
1 1 1 19 7  34 o 1.19118  0.384118  1.47275      1.03943  1.8419       1.53585  1.16077      1.41191  1.34851  0.466723  1.17102  0.441828  
1 1 1 19 7  35 o 1.57693  0.312491  2.66452      0.950512 2.51253      1.33893  2.81895      1.34959  1.50723  0.425551  1.59416  0.418113  
1 1 1 19 7  36 o 5.84093  0.114926  34.345       1.34255  35.2244      1.84298  33.3507      1.95969  5.89863  0.156221  5.73271  0.170922  
1 1 1 19 7  37 o 1.83636  0.285983  3.53537      1.05034  2.63036      1.49827  4.40994      1.47286  1.51188  0.456962  1.98862  0.384027  
1 1 1 19 7  38 o 3.37183  0.172798  11.6056      1.16529  9.92075      1.61711  13.4255      1.68067  3.07667  0.262802  3.59641  0.233659  
1 1 1 19 7  39 o 2.29697  0.24481   5.51918      1.12464  5.11566      1.5511   5.96646      1.63304  2.12454  0.378643  2.33521  0.349656  
1 1 1 19 7  40 o 1.22556  0.386129  1.74057      1.05502  1.26766      1.4614   2.25529      1.52465  1.13836  0.444304  1.36702  0.465507  
1 1 1 19 7  41 o 0.674039 0.313089  -0.608165    1.01571  -0.116002    1.45409  -1.07712     1.41939  0.876193 0.3945    0.753234 0.355522  
1 1 1 19 7  42 o 1.04638  0.383047  1.27609      1.04727  1.32924      1.43672  1.21584      1.52977  1.09059  0.436076  1.07818  0.442685  
1 1 1 19 7  43 f 0.747041 0.338078  -0.0704215   1.08156  -0.365107    1.47198  0.27535      1.59447  0.806992 0.375639  0.90743  0.410584  
1 1 1 19 7  44 o 2.03178  0.300495  5.05472      1.22108  6.1077       1.6631   3.82318      1.79859  2.05897  0.418418  1.4397   0.504416  
1 1 1 19 7  45 o 0.649792 0.312784  -0.733525    1.19732  -0.773137    1.68663  -0.693284    1.69997  0.743491 0.360818  0.751189 0.363842  
1 1 1 19 7  46 o 0.6834   0.326243  -0.135563    1.23637  -0.970675    1.72841  0.739534     1.7693   0.691308 0.341409  0.817792 0.390369  
1 1 1 19 8  0  o 1.43824  0.123076  2.11403      0.348059 2.11403      0.348059 2.11403      0.348059 1.44632  0.085774  ?        ?         
1 1 1 19 8  1  o 3.40178  0.0466044 11.5728      0.317076 10.7886      0.436517 12.4488      0.461339 3.28439  0.0664532 3.52807  0.0653811 
1 1 1 19 8  2  o 1.94445  0.0635914 3.78132      0.247301 4.0484       0.353205 3.52448      0.346367 2.01185  0.0877812 1.87714  0.0922594 
1 1 1 19 8  3  o 10.1779  0.081109  103.61       1.65104  100.451      2.30988  106.909      2.36081  10.0207  0.115256  10.3378  0.114183  
1 1 1 19 8  4  o 10.2046  0.0808707 104.153      1.65051  105.369      2.42008  103.096      2.2568   10.2629  0.117904  10.1518  0.111152  
1 1 1 19 8  5  o 20.1366  0.147496  405.724      5.94016  412.799      8.5379   399.085      8.26982  20.3052  0.210239  19.9655  0.207103  
1 1 1 19 8  6  o 5.61523  0.054468  31.5332      0.6117   32.2113      0.888927 30.9234      0.843044 5.67504  0.078319  5.56045  0.0758071 
1 1 1 19 8  7  o 11.0428  0.0843285 121.965      1.86244  123.974      2.70642  120.158      2.56689  11.1322  0.121558  10.9597  0.117106  
1 1 1 19 8  8  o 4.15958  0.0579106 17.3036      0.481768 17.6031      0.666864 16.9766      0.696764 4.19528  0.079478  4.1199   0.0845609 
1 1 1 19 8  9  o 14.5323  0.100982  211.238      2.935    211.398      4.11564  211.072      4.18672  14.536   0.141567  14.5247  0.144124  
1 1 1 19 8  10 o 14.4122  0.106448  207.766      3.06829  209.605      4.37056  205.978      4.30855  14.4739  0.150981  14.3481  0.150143  
1 1 1 19 8  11 o 17.6524  0.123994  311.702      4.3776   309.07       6.21307  314.297      6.16888  17.5749  0.176759  17.7231  0.174035  
1 1 1 19 8  12 o 11.084   0.084836  122.871      1.88065  124.425      2.63571  121.259      2.68424  11.1532  0.118159  11.0104  0.121896  
1 1 1 19 8  13 o 10.4609  0.0839779 109.443      1.75697  112.72       2.53728  106.424      2.43533  10.6158  0.119505  10.3151  0.118047  
1 1 1 19 8  14 o 11.3132  0.085542  128.003      1.93551  131.434      2.79332  124.834      2.68438  11.4632  0.121839  11.1717  0.120142  
1 1 1 19 8  15 o 25.237   0.176954  637.204      8.93158  634.283      12.5786  640.174      12.6844  25.173   0.249844  25.2895  0.250783  
1 1 1 19 8  16 o 7.85003  0.0731404 61.6283      1.14831  61.5383      1.59904  61.7241      1.65007  7.84396  0.101928  7.85575  0.105023  
1 1 1 19 8  17 o 6.46177  0.0748286 41.759       0.967052 41.7289      1.29335  41.7971      1.45635  6.45917  0.100117  6.46428  0.112646  
1 1 1 19 8  18 o 13.1488  0.0987188 172.926      2.59606  173.153      3.71205  172.708      3.63203  13.156   0.141078  13.1392  0.138213  
1 1 1 19 8  19 o 6.95052  0.0931311 48.3191      1.29462  53.6911      2.07114  44.8741      1.65857  7.32577  0.14136   6.69766  0.123817  
1 1 1 19 8  20 o 10.8407  0.0960406 117.548      2.08229  118.004      2.98547  117.117      2.90576  10.8603  0.137449  10.8195  0.134283  
1 1 1 19 8  21 o 8.42268  0.0919666 70.9593      1.54921  71.9265      2.23838  70.07        2.14634  8.47875  0.132     8.36873  0.128236  
1 1 1 19 8  22 o 15.8875  0.132127  252.572      4.19832  258.291      6.12292  247.498      5.76763  16.0607  0.190618  15.7224  0.183421  
1 1 1 19 8  23 o 7.90233  0.089962  62.4706      1.42182  62.7341      2.01084  62.2071      2.01067  7.91747  0.126988  7.88412  0.127514  
1 1 1 19 8  24 o 9.15592  0.0958195 83.8749      1.75463  83.7881      2.43285  83.969       2.53303  9.14896  0.132958  9.15846  0.138289  
1 1 1 19 8  25 o 8.83233  0.0930672 78.0571      1.644    77.2206      2.27471  78.9719      2.37871  8.78232  0.129505  8.88099  0.133921  
1 1 1 19 8  26 f 7.86691  0.0920556 61.936       1.44839  61.0341      1.99462  62.942       2.10662  7.80664  0.127752  7.92723  0.132872  
1 1 1 19 8  27 o 6.19006  0.0993595 38.3592      1.23008  38.1143      1.73697  38.6057      1.74225  6.16682  0.140832  6.20649  0.140357  
1 1 1 19 8  28 o 2.88645  0.156015  8.35954      0.90066  7.95292      1.27421  8.76555      1.27324  2.81015  0.226716  2.95122  0.215714  
1 1 1 19 8  29 o 2.30676  0.191556  5.35299      0.88375  5.64736      1.22755  5.03626      1.27332  2.36334  0.259707  2.22925  0.285594  
1 1 1 19 8  30 o 2.55899  0.174305  6.58771      0.892089 4.81722      1.23834  8.49779      1.28623  2.17754  0.284344  2.90108  0.221681  
1 1 1 19 8  31 o 4.46379  0.115994  19.9866      1.03555  19.7494      1.49136  20.2075      1.43901  4.42977  0.168334  4.48215  0.160526  
1 1 1 19 8  32 o 4.0944   0.132404  16.8468      1.08423  15.9651      1.50959  17.7863      1.55825  3.97569  0.189852  4.19725  0.185627  
1 1 1 19 8  33 o 3.36456  0.143368  11.3962      0.964739 11.4601      1.39052  11.337       1.3396   3.36155  0.206828  3.34491  0.200244  
1 1 1 19 8  34 o 5.25476  0.124796  27.7661      1.31154  29.0964      1.92691  26.6178      1.79022  5.36295  0.179651  5.13113  0.174447  
1 1 1 19 8  35 f 1.03024  0.363663  1.00716      0.936407 1.56625      1.32731  0.453152     1.32127  1.24799  0.433694  0.996236 0.410625  
1 1 1 19 8  36 o 0.647004 0.303664  -0.955097    1.00454  -1.42338     1.36762  -0.406463    1.48032  0.735444 0.347877  0.895196 0.400723  
1 1 1 19 8  37 o 1.64325  0.322545  2.95122      1.02226  3.22113      1.42344  2.66374      1.46902  1.67479  0.424276  1.52     0.451089  
1 1 1 19 8  38 f 0.851601 0.359317  0.245105     1.04922  -0.284052    1.45823  0.81312      1.51082  0.890421 0.398176  1.0813   0.441274  
1 1 1 19 8  39 o 2.57101  0.21904   6.8594       1.12631  5.61501      1.57972  8.14601      1.6063   2.26369  0.348925  2.76381  0.290594  
1 1 1 19 8  40 o 0.851925 0.358693  0.328167     1.04193  0.151888     1.46118  0.510521     1.48615  0.935169 0.409684  0.997565 0.424555  
1 1 1 19 8  41 o 0.906875 0.362817  0.695657     0.995338 1.29983      1.41275  0.100179     1.40255  1.10695  0.435665  0.89301  0.395503  
1 1 1 19 8  42 o 0.938464 0.374455  0.857767     1.05694  -0.173066    1.46565  1.97467      1.52561  0.85033  0.387558  1.22313  0.459777  
1 1 1 19 8  43 o 0.828195 0.354837  0.452397     1.05043  0.643587     1.45296  0.243043     1.52041  0.933877 0.408828  0.888113 0.401437  
1 1 1 19 8  44 o 0.67817  0.320569  -0.54128     1.15958  -0.140738    1.5658   -1.02776     1.72562  0.806404 0.378593  0.757101 0.366683  
1 1 1 19 8  45 o 1.17639  0.411218  2.39621      1.19478  2.7644       1.67448  2.01434      1.70529  1.14403  0.465333  1.02062  0.444884  
1 1 1 19 8  46 o 1.15772  0.428624  2.73052      1.31593  1.37336      1.78922  4.32964      1.94217  0.880255 0.411442  1.24507  0.503191  
1 1 1 19 9  0  o 10.5446  0.113133  111.246      2.38526  111.246      2.38526  111.246      2.38526  10.5459  0.0799765 ?        ?         
1 1 1 19 9  1  o 8.07408  0.0650024 65.1984      1.04967  65.3629      1.50428  65.0424      1.46539  8.08375  0.0930436 8.06395  0.0908606 
1 1 1 19 9  2  o 11.3336  0.0886924 128.478      2.0104   128.073      2.79695  128.911      2.89169  11.3145  0.1236    11.3513  0.127373  
1 1 1 19 9  3  o 6.32827  0.0597016 40.0509      0.755615 39.7483      1.09483  40.3262      1.04417  6.30397  0.0868367 6.3497   0.0822221 
1 1 1 19 9  4  o 17.1885  0.13154   295.582      4.52194  294.106      6.28237  297.169      6.51389  17.1417  0.183248  17.2303  0.189025  
1 1 1 19 9  5  o 8.84124  0.0730152 78.1785      1.29109  77.8324      1.81459  78.5334      1.83737  8.82103  0.102856  8.86064  0.103682  
1 1 1 19 9  6  o 6.73877  0.0586279 45.415       0.79016  46.8799      1.14695  44.0918      1.09012  6.84627  0.083765  6.63959  0.0820924 
1 1 1 19 9  7  o 10.7546  0.0824913 115.68       1.77432  117.903      2.58247  113.693      2.44195  10.8564  0.118938  10.6609  0.114528  
1 1 1 19 9  8  f 11.9157  0.0863174 142.01       2.05707  142.614      2.95741  141.445      2.86316  11.9399  0.123846  11.8909  0.120392  
1 1 1 19 9  9  o 11.2734  0.0840233 127.11       1.89446  127.959      2.6376   126.206      2.72276  11.3101  0.116604  11.2322  0.121203  
1 1 1 19 9  10 o 3.01665  0.0767158 9.10131      0.46285  9.86303      0.666361 8.39123      0.643381 3.14017  0.106103  2.89638  0.111066  
1 1 1 19 9  11 o 19.2644  0.13021   371.231      5.01684  374.59       7.15163  367.977      7.03948  19.3482  0.184814  19.1768  0.183542  
1 1 1 19 9  12 o 16.33    0.113474  266.725      3.70606  269.299      5.3445   264.341      5.14359  16.4068  0.162874  16.2553  0.158213  
1 1 1 19 9  13 o 12.5628  0.0986317 157.846      2.47818  159.24       3.45118  156.362      3.56074  12.6173  0.136764  12.5026  0.1424    
1 1 1 19 9  14 o 6.32913  0.0657501 40.0604      0.832282 39.3233      1.17741  40.7965      1.17664  6.27041  0.093886  6.38681  0.092115  
1 1 1 19 9  15 o 18.5838  0.138     345.458      5.12914  345.735      7.17018  345.168      7.34021  18.5886  0.192865  18.5731  0.197603  
1 1 1 19 9  16 o 13.6808  0.101866  187.197      2.78721  186.881      3.88202  187.533      4.00424  13.668   0.142011  13.6917  0.146228  
1 1 1 19 9  17 f 16.719   0.121944  279.607      4.07757  278.143      5.61065  281.245      5.93621  16.6729  0.168257  16.7651  0.177041  
1 1 1 19 9  18 o 9.77369  0.083214  95.539       1.62661  96.4947      2.32966  94.6299      2.27218  9.82169  0.118598  9.72637  0.116805  
1 1 1 19 9  19 o 22.0175  0.165003  485.074      7.26591  481.304      10.1988  488.961      10.3541  21.9248  0.232586  22.0983  0.234273  
1 1 1 19 9  20 f 8.86259  0.0869216 78.5613      1.5407   80.7453      2.19405  76.4366      2.16402  8.98404  0.122108  8.741    0.123785  
1 1 1 19 9  21 o 6.03843  0.101316  36.4742      1.22358  38.4622      1.71769  34.4263      1.7434   6.19995  0.138524  5.86539  0.148618  
1 1 1 19 9  22 o 8.87911  0.0940715 78.8659      1.67054  78.1037      2.38074  79.6051      2.34468  8.83447  0.134742  8.91914  0.131441  
1 1 1 19 9  23 o 10.2401  0.0951946 104.907      1.94961  104.673      2.77099  105.137      2.74356  10.2264  0.135483  10.2491  0.133844  
1 1 1 19 9  24 o 13.428   0.11136   180.444      2.99068  176.503      4.09999  184.926      4.37203  13.276   0.154414  13.5882  0.160876  
1 1 1 19 9  25 o 13.6199  0.111024  185.668      3.02425  190.219      4.26283  181.057      4.29119  13.7798  0.154677  13.443   0.159606  
1 1 1 19 9  26 o 10.3693  0.0953903 107.618      1.97826  107.687      2.7875   107.547      2.80797  10.3681  0.134426  10.3613  0.135503  
1 1 1 19 9  27 o 8.10749  0.0943131 65.799       1.52929  67.8972      2.15186  63.658       2.17378  8.2318   0.130704  7.96998  0.136373  
1 1 1 19 9  28 o 2.43237  0.182854  5.94443      0.889534 6.07305      1.26865  5.82004      1.2476   2.45271  0.258621  2.40097  0.259811  
1 1 1 19 9  29 o 3.44876  0.134902  11.9307      0.930489 11.7706      1.31284  12.0923      1.319    3.42007  0.191932  3.46668  0.19024   
1 1 1 19 9  30 o 3.57689  0.133407  12.8401      0.954366 12.3092      1.34351  13.3807      1.35593  3.49551  0.192177  3.64532  0.185982  
1 1 1 19 9  31 o 2.50392  0.178896  6.31709      0.895882 6.09203      1.2926   6.52515      1.2428   2.44812  0.264     2.53651  0.244982  
1 1 1 19 9  32 o 2.72917  0.174999  7.51411      0.955201 7.29306      1.3221   7.7555       1.38158  2.67731  0.246907  2.76024  0.250265  
1 1 1 19 9  33 o 1.04066  0.355726  1.05497      0.890325 0.87544      1.22921  1.2531       1.2913   1.06649  0.409348  1.17137  0.425679  
1 1 1 19 9  34 o 4.96114  0.121617  24.7471      1.20672  25.6699      1.77953  23.9615      1.64189  5.03745  0.17663   4.86942  0.168592  
1 1 1 19 9  35 o 1.7574   0.269088  3.18484      0.945789 4.60951      1.33867  1.76494      1.33643  2.10123  0.318544  1.2979   0.435827  
1 1 1 19 9  36 o 0.90769  0.361908  0.536408     0.986624 1.00942      1.30865  -0.0865322   1.5018   1.097    0.422026  0.946521 0.414993  
1 1 1 19 9  37 o 1.08094  0.375555  1.19201      0.995247 1.8864       1.37011  0.4163       1.44811  1.31038  0.441284  1.00524  0.423038  
1 1 1 19 9  38 o 1.72394  0.314102  3.26882      1.04289  3.01996      1.48055  3.5139       1.46924  1.59472  0.446602  1.73021  0.426701  
1 1 1 19 9  39 o 0.864815 0.365017  0.286726     1.08338  0.698949     1.54424  -0.112821    1.52031  1.05741  0.440453  0.92418  0.410226  
1 1 1 19 9  40 o 0.740409 0.331055  -0.198532    1.00777  1.49899      1.42525  -1.89583     1.42515  1.17453  0.443686  0.688373 0.333368  
1 1 1 19 9  41 o 1.02329  0.373584  1.14754      0.995577 0.477307     1.37923  1.87669      1.43856  0.945157 0.405827  1.23429  0.449223  
1 1 1 19 9  42 o 0.87027  0.363777  0.560918     1.05912  0.427589     1.44498  0.715703     1.55691  0.924676 0.40623   0.987183 0.427631  
1 1 1 19 9  43 o 0.905334 0.364472  0.852463     1.0134   0.370426     1.39992  1.38318      1.4689   0.881487 0.392263  1.0569   0.433842  
1 1 1 19 9  44 o 0.792397 0.356983  0.314257     1.19243  1.42999      1.64132  -0.932892    1.73529  1.00078  0.436345  0.761274 0.36853   
1 1 1 19 9  45 o 1.08945  0.406484  2.14561      1.18806  2.57199      1.67568  1.71462      1.68471  1.08139  0.455074  0.956047 0.42774   
1 1 1 19 9  46 o 0.566265 0.282153  -1.68939     1.28204  -0.838307    1.75816  -2.65578     1.87348  0.697876 0.344576  0.624873 0.315375  
1 1 1 19 10 0  o 8.13637  0.0951968 66.2359      1.54863  66.2359      1.54863  66.2359      1.54863  8.13746  0.0672949 ?        ?         
1 1 1 19 10 1  o 16.164   0.117457  261.373      3.79713  262.393      5.32458  260.317      5.41651  16.1926  0.164415  16.1281  0.167921  
1 1 1 19 10 2  o 3.89931  0.0492    15.2056      0.383692 14.5016      0.516048 16.0759      0.573777 3.80786  0.0677608 4.0092   0.0715576 
1 1 1 19 10 3  o 18.9633  0.144606  359.806      5.48442  359.509      7.64669  360.121      7.87043  18.9504  0.201755  18.9659  0.207489  
1 1 1 19 10 4  o 16.1389  0.124001  260.567      4.00248  257.323      5.51552  264.177      5.81724  16.035   0.171984  16.2467  0.179029  
1 1 1 19 10 5  o 4.02986  0.0568488 16.2411      0.458185 17.0922      0.667933 15.4846      0.629699 4.13392  0.0807868 3.93473  0.0800181 
1 1 1 19 10 6  o 9.51821  0.0748943 90.609       1.42572  91.7031      2.06917  89.6201      1.96723  9.57476  0.108054  9.4655   0.103916  
1 1 1 19 10 7  o 4.15936  0.0532306 17.3015      0.442811 18.7798      0.669419 16.1513      0.590447 4.33325  0.0772421 4.01861  0.0734642 
1 1 1 19 10 8  o 10.8867  0.0821887 118.539      1.78953  120.689      2.54211  116.427      2.51958  10.9841  0.115718  10.7884  0.116773  
1 1 1 19 10 9  o 1.4404   0.13721   2.07563      0.395275 1.65746      0.579806 2.43876      0.540291 1.26598  0.23775   1.56112  0.173046  
1 1 1 19 10 10 o 3.53707  0.0654466 12.5119      0.462979 12.3768      0.672256 12.6339      0.638547 3.51775  0.095552  3.55414  0.0898316 
1 1 1 19 10 11 o 17.9938  0.123867  323.86       4.45768  323.704      6.23864  324.023      6.37169  17.9871  0.17342   17.9958  0.177033  
1 1 1 19 10 12 o 6.36064  0.0628294 40.4602      0.79927  41.1708      1.15344  39.8037      1.10857  6.41605  0.0898869 6.30865  0.0878615 
1 1 1 19 10 13 o 15.1293  0.106554  228.935      3.22417  228.275      4.60259  229.57       4.51791  15.1061  0.152342  15.1491  0.149115  
1 1 1 19 10 14 f 11.4017  0.0852435 130.012      1.94384  130.225      2.78993  129.811      2.70983  11.4103  0.122254  11.3922  0.118933  
1 1 1 19 10 15 o 25.95    0.180068  673.745      9.34556  673.415      13.0765  674.089      13.3614  25.9371  0.25208   25.9495  0.25745   
1 1 1 19 10 16 o 8.06377  0.0748099 65.0309      1.2065   64.8643      1.67377  65.2111      1.74068  8.05304  0.103922  8.07448  0.107789  
1 1 1 19 10 17 o 2.83537  0.115016  8.04149      0.652224 9.11003      0.889099 6.79648      0.959712 3.01761  0.147318  2.6061   0.184128  
1 1 1 19 10 18 o 18.0739  0.131843  326.788      4.76582  325.36       6.56191  328.381      6.9332   18.0312  0.181959  18.1141  0.191376  
1 1 1 19 10 19 o 4.252    0.103328  18.0842      0.878701 17.8538      1.20839  18.3426      1.28004  4.22433  0.143028  4.28166  0.14948   
1 1 1 19 10 20 o 14.6157  0.119301  213.703      3.48734  210.741      5.05314  216.396      4.81888  14.5108  0.174117  14.7049  0.163853  
1 1 1 19 10 21 o 6.01025  0.106501  36.1363      1.2802   36.4852      1.92034  35.8572      1.71754  6.03783  0.159025  5.98609  0.14346   
1 1 1 19 10 22 o 11.4656  0.103702  131.519      2.378    133.253      3.28919  129.619      3.44202  11.5385  0.142531  11.3795  0.151238  
1 1 1 19 10 23 o 7.67328  0.0915427 58.9048      1.40487  58.0689      1.95855  59.7907      2.01627  7.61704  0.128564  7.72905  0.130434  
1 1 1 19 10 24 o 4.03599  0.122426  16.3045      0.988218 15.2095      1.40559  17.3748      1.38964  3.89594  0.180392  4.16466  0.166838  
1 1 1 19 10 25 o 7.62177  0.0947905 58.1318      1.44494  57.1379      2.01045  59.1936      2.07814  7.55373  0.133077  7.68824  0.135151  
1 1 1 19 10 26 o 5.37873  0.0996567 28.9605      1.07205  30.2007      1.51584  27.7194      1.51638  5.49014  0.138051  5.25931  0.144162  
1 1 1 19 10 27 o 2.97627  0.152444  8.88311      0.907427 9.01365      1.23892  8.73205      1.33281  2.99449  0.206867  2.94585  0.226218  
1 1 1 19 10 28 o 6.23249  0.0975271 38.8979      1.21567  39.0358      1.71467  38.7585      1.72381  6.2392   0.137411  6.21684  0.13864   
1 1 1 19 10 29 o 4.76182  0.108457  22.7221      1.0329   22.5006      1.45286  22.9484      1.46876  4.73358  0.153463  4.78043  0.153622  
1 1 1 19 10 30 o 0.847714 0.337369  0.399031     0.855911 0.744067     1.18957  0.0286663    1.23246  1.03736  0.401684  0.903684 0.385673  
1 1 1 19 10 31 o 0.859986 0.340363  0.438957     0.866751 -0.50921     1.20047  1.47149      1.25274  0.800206 0.359465  1.23037  0.421933  
1 1 1 19 10 32 o 3.49888  0.139189  12.3123      0.974014 12.7662      1.35245  11.8232      1.40392  3.55412  0.190265  3.41736  0.20541   
1 1 1 19 10 33 o 2.71498  0.183885  7.45864      0.998488 6.75998      1.41594  8.14973      1.40824  2.56567  0.275939  2.82389  0.249344  
1 1 1 19 10 34 o 1.58837  0.313169  2.69861      0.959428 2.76907      1.36603  2.63001      1.34783  1.58232  0.423261  1.54337  0.423871  
1 1 1 19 10 35 o 2.91556  0.16496   8.60754      0.961902 10.0643      1.33676  7.04332      1.38521  3.1397   0.21288   2.61181  0.265181  
1 1 1 19 10 36 o 2.89562  0.176402  8.52957      1.02159  8.97391      1.35674  7.9478       1.55244  2.95248  0.229763  2.75891  0.28135   
1 1 1 19 10 37 o 1.33854  0.359727  2.00448      0.983846 1.71789      1.36413  2.31516      1.4203   1.26489  0.439659  1.42254  0.447981  
1 1 1 19 10 38 o 1.1753   0.382497  1.52806      1.02937  1.25668      1.46458  1.79299      1.44708  1.15704  0.446183  1.27656  0.45193   
1 1 1 19 10 39 o 0.744934 0.336831  -0.357313    1.0713   -0.673214    1.51117  -0.0381535   1.51895  0.846403 0.388712  0.931487 0.412187  
1 1 1 19 10 40 o 0.702305 0.320073  -0.409217    0.999322 -0.0333796   1.41307  -0.785248    1.41344  0.887868 0.394631  0.791126 0.368192  
1 1 1 19 10 41 o 1.30571  0.370089  2.07461      1.01076  0.938865     1.40469  3.29404      1.45552  1.02986  0.423751  1.59347  0.441693  
1 1 1 19 10 42 o 1.28277  0.374436  2.09908      1.01991  2.63521      1.436    1.55333      1.44882  1.37002  0.451771  1.11808  0.440827  
1 1 1 19 10 43 o 0.579273 0.280066  -1.13707     0.990033 -1.3642      1.37752  -0.894395    1.42387  0.679132 0.328694  0.734105 0.350367  
1 1 1 19 10 44 o 0.869347 0.373667  0.822404     1.17143  0.847036     1.65889  0.797903     1.65444  0.917972 0.416757  0.911854 0.414569  
1 1 1 19 10 45 o 0.678301 0.321765  -0.199147    1.17751  -0.152956    1.66448  -0.245424    1.66603  0.75574  0.364997  0.748758 0.362234  
1 1 1 19 10 46 o 0.64678  0.313704  -0.473838    1.27173  -0.759256    1.71372  -0.124014    1.89725  0.68891  0.34016   0.745034 0.366802  
1 1 1 19 11 0  o 9.51611  0.099631  90.598       1.89573  90.598       1.89573  90.598       1.89573  9.5172   0.070433  ?        ?         
1 1 1 19 11 1  o 9.20296  0.0701525 84.7054      1.29122  84.68        1.82567  84.7309      1.82646  9.20097  0.0992105 9.20374  0.0992238 
1 1 1 19 11 2  o 12.1632  0.0915236 147.977      2.22645  146.947      3.12145  149.043      3.17662  12.1195  0.128778  12.2056  0.13013   
1 1 1 19 11 3  o 9.69827  0.0769578 94.0707      1.49271  93.9122      2.07908  94.2394      2.14447  9.68938  0.107287  9.70616  0.11047   
1 1 1 19 11 4  o 2.47321  0.0673608 6.11747      0.333195 5.93843      0.456893 6.32084      0.486959 2.43661  0.0937557 2.51383  0.0968562 
1 1 1 19 11 5  f 1.38977  0.114846  1.9321       0.319219 2.05472      0.441455 1.79772      0.462142 1.433    0.154032  1.34029  0.172404  
1 1 1 19 11 6  o 1.91942  0.0918331 3.68495      0.352533 4.07586      0.503555 3.30918      0.493706 2.01849  0.124736  1.8187   0.13573   
1 1 1 19 11 7  o 13.422   0.0990863 180.193      2.65988  181.014      3.78095  179.389      3.74262  13.4509  0.140546  13.3905  0.13975   
1 1 1 19 11 8  o 9.71901  0.0763535 94.472       1.48416  95.0495      2.11388  93.9105      2.08428  9.74799  0.108426  9.68942  0.107554  
1 1 1 19 11 9  o 11.2039  0.0828599 125.544      1.85671  126.218      2.67615  124.919      2.57815  11.233   0.11912   11.1752  0.115351  
1 1 1 19 11 10 o 6.53376  0.0613025 42.6929      0.801071 43.9197      1.15538  41.5572      1.11166  6.62673  0.0871756 6.44605  0.0862277 
1 1 1 19 11 11 o 9.50067  0.0745044 90.2707      1.41568  91.7943      2.05937  88.9057      1.94931  9.58004  0.107483  9.42817  0.103377  
1 1 1 19 11 12 o 14.1381  0.099777  199.915      2.82132  198.735      3.93105  201.168      4.05157  14.0953  0.139445  14.1812  0.14285   
1 1 1 19 11 13 f 24.8889  0.166867  619.715      8.30628  623.635      11.8126  615.88       11.6822  24.9621  0.236611  24.8065  0.235466  
1 1 1 19 11 14 o 12.0606  0.0901842 145.475      2.17535  148.104      3.12215  142.995      3.03262  12.1683  0.128291  11.9566  0.126818  
1 1 1 19 11 15 o 21.532   0.14742   463.794      6.34852  461.9        8.84482  465.807      9.11771  21.4842  0.205845  21.5744  0.211308  
1 1 1 19 11 16 o 3.43609  0.0930042 11.8087      0.639142 12.4824      0.90853  11.1485      0.899306 3.53248  0.128597  3.33836  0.134693  
1 1 1 19 11 17 o 9.12325  0.0799908 83.2448      1.45955  83.8701      2.06752  82.6235      2.06073  9.15684  0.112895  9.08852  0.11337   
1 1 1 19 11 18 f 9.13572  0.0925006 83.4772      1.69012  82.0837      2.37341  84.9108      2.40733  9.05827  0.131008  9.21295  0.130649  
1 1 1 19 11 19 o 7.75061  0.0825576 60.0824      1.27974  59.2914      1.76457  60.96        1.85876  7.69881  0.1146    7.80628  0.119056  
1 1 1 19 11 20 o 9.28543  0.0932788 86.241       1.73227  86.3507      2.46072  86.1333      2.43902  9.29013  0.132437  9.27846  0.131434  
1 1 1 19 11 21 f 7.31498  0.0960703 53.5261      1.40551  53.6726      1.98076  53.3776      1.99468  7.32383  0.135227  7.30362  0.136554  
1 1 1 19 11 22 o 2.51101  0.17387   6.31376      0.873179 7.26006      1.24283  5.39134      1.22705  2.69119  0.230907  2.31823  0.264651  
1 1 1 19 11 23 o 4.88377  0.104072  23.8654      1.01653  25.3516      1.43183  22.3549      1.44343  5.03227  0.142265  4.7251   0.15274   
1 1 1 19 11 24 f 7.08288  0.0918774 50.195       1.30151  49.9438      1.78908  50.4775      1.89688  7.06332  0.126646  7.10054  0.133573  
1 1 1 19 11 25 o 4.74493  0.107311  22.5358      1.01837  22.1454      1.41821  22.9515      1.46322  4.70143  0.150828  4.78611  0.152861  
1 1 1 19 11 26 o 2.99432  0.150371  8.98765      0.90052  8.15432      1.26637  9.8401       1.28081  2.8481   0.222318  3.12993  0.204607  
1 1 1 19 11 27 f 7.19506  0.0939739 51.8272      1.3523   53.235       1.91869  50.4376      1.90624  7.28817  0.13163   7.09376  0.134361  
1 1 1 19 11 28 o 4.23307  0.118864  17.957       1.00631  18.8708      1.44945  17.1068      1.39822  4.33481  0.167187  4.127    0.169399  
1 1 1 19 11 29 o 1.9225   0.218217  3.72832      0.839045 3.91266      1.18416  3.54247      1.18903  1.96166  0.301827  1.83559  0.336424  
1 1 1 19 11 30 o 7.39434  0.0966994 54.7842      1.43006  56.0759      2.01126  53.4635      2.03374  7.47422  0.134546  7.29703  0.139354  
1 1 1 19 11 31 o 3.63351  0.138843  13.268       1.00897  12.3438      1.38486  14.3137      1.47303  3.49583  0.198074  3.7649   0.195626  
1 1 1 19 11 32 o 4.11054  0.125456  16.9774      1.03139  17.1978      1.47943  16.7689      1.43862  4.12693  0.179242  4.07574  0.176486  
1 1 1 19 11 33 o 0.992318 0.364214  0.857592     0.947353 1.63439      1.33533  0.0704019    1.34423  1.27208  0.435648  0.93689  0.401405  
1 1 1 19 11 34 o 2.30273  0.201294  5.38737      0.927052 5.75069      1.32673  5.04074      1.29591  2.36158  0.280899  2.20796  0.293464  
1 1 1 19 11 35 o 2.53225  0.19465   6.53293      0.985805 7.37327      1.36707  5.62256      1.42288  2.67266  0.255751  2.31802  0.306918  
1 1 1 19 11 36 o 1.48889  0.33226   2.43865      0.964021 2.69022      1.28251  2.11189      1.46165  1.5396   0.40934   1.37934  0.455788  
1 1 1 19 11 37 o 2.5329   0.207974  6.59437      1.05356  6.87781      1.50864  6.32455      1.47195  2.55121  0.295671  2.444    0.301137  
1 1 1 19 11 38 o 1.60942  0.331492  2.88746      1.03052  2.08774      1.43406  3.74138      1.48185  1.34789  0.451466  1.78812  0.420875  
1 1 1 19 11 39 o 2.01758  0.265588  4.32235      1.07169  3.533        1.53681  5.06958      1.49525  1.70542  0.445655  2.1402   0.349323  
1 1 1 19 11 40 o 0.72302  0.32529   -0.235065    0.986781 0.117986     1.36948  -0.616306    1.4231   0.895768 0.394491  0.810669 0.374261  
1 1 1 19 11 41 f 1.45271  0.349603  2.52832      1.00496  2.31558      1.39959  2.75475      1.4439   1.33402  0.446007  1.44419  0.45107   
1 1 1 19 11 42 o 0.800546 0.348431  0.262289     1.04288  1.87292      1.45047  -1.46138     1.5005   1.17771  0.446799  0.715307 0.345655  
1 1 1 19 11 43 o 0.782606 0.33989   0.336167     0.98837  -0.0476408   1.37827  0.742486     1.41811  0.81039  0.371776  0.927954 0.405083  
1 1 1 19 11 44 o 0.908073 0.379436  1.04419      1.15159  -0.0838709   1.61158  2.22116      1.64615  0.80818  0.380685  1.11675  0.458986  
1 1 1 19 11 45 o 0.772658 0.350472  0.595298     1.16889  0.639107     1.66723  0.552947     1.63925  0.817177 0.385588  0.807263 0.381383  
1 1 1 19 11 46 o 0.855916 0.379517  1.45066      1.29653  2.04935      1.77732  0.769699     1.89551  0.891949 0.414251  0.781775 0.380371  
1 1 1 19 12 0  o 2.39955  0.098724  5.78776      0.471964 5.78776      0.471964 5.78776      0.471964 2.40268  0.0695812 ?        ?         
1 1 1 19 12 1  o 13.8488  0.107147  191.846      2.96771  191.63       4.13808  192.075      4.25847  13.8391  0.149507  13.8549  0.153681  
1 1 1 19 12 2  o 18.7538  0.136041  351.871      5.10258  346.412      7.02134  357.981      7.42809  18.6037  0.188708  18.9111  0.196396  
1 1 1 19 12 3  o 11.1114  0.0853826 123.486      1.89744  122.94       2.60488  124.103      2.76945  11.0859  0.117486  11.138   0.124325  
1 1 1 19 12 4  o 3.05186  0.0625075 9.31475      0.381528 8.89667      0.50865  9.85254      0.576896 2.98246  0.0852736 3.13855  0.091905  
1 1 1 19 12 5  o 11.8084  0.0951845 139.47       2.24796  140.846      3.2076   138.141      3.15133  11.8652  0.135169  11.7507  0.134091  
1 1 1 19 12 6  o 11.1066  0.0874697 123.378      1.94298  122.701      2.76642  124.038      2.72951  11.075   0.124895  11.1352  0.122562  
1 1 1 19 12 7  o 7.42925  0.0646442 55.1991      0.960516 56.659       1.40709  53.9252      1.3144   7.52644  0.0934762 7.34268  0.0895038 
1 1 1 19 12 8  o 16.111   0.110807  259.63       3.57042  262.699      5.15966  256.809      4.9458   16.2036  0.159213  16.0212  0.154352  
1 1 1 19 12 9  o 33.1474  0.227539  1099.81      15.0847  1101.86      21.6234  1097.86      21.0539  33.161   0.326036  33.1025  0.318012  
1 1 1 19 12 10 o 10.6028  0.0799599 112.432      1.69561  113.347      2.39342  111.51       2.4025   10.6453  0.112417  10.5587  0.113769  
1 1 1 19 12 11 o 12.6217  0.0916205 159.328      2.31282  163.231      3.3476   155.764      3.19909  12.7745  0.131027  12.479   0.128179  
1 1 1 19 12 12 o 4.13408  0.0660233 17.0917      0.545891 17.1521      0.788343 17.0361      0.756647 4.14122  0.0951823 4.12722  0.0916654 
1 1 1 19 12 13 o 8.37443  0.0697249 70.1362      1.16781  70.6198      1.67931  69.6833      1.6251   8.40292  0.0999242 8.34705  0.0973456 
1 1 1 19 12 14 o 17.8796  0.122529  319.754      4.38156  321.773      6.23391  317.783      6.15967  17.9338  0.173804  17.8223  0.172808  
1 1 1 19 12 15 o 6.03194  0.0689796 36.3873      0.832161 37.1182      1.15415  35.596       1.20095  6.09198  0.0947268 5.9657   0.100655  
1 1 1 19 12 16 o 15.76    0.114661  248.444      3.61412  249.36       5.18642  247.58       5.03904  15.7868  0.164265  15.7306  0.160167  
1 1 1 19 12 17 f 10.4182  0.0901122 108.558      1.87762  108.041      2.64336  109.084      2.66751  10.3925  0.127176  10.4425  0.127724  
1 1 1 19 12 18 o 9.55804  0.103324  91.3788      1.97515  87.3654      2.52798  97.6682      3.1646   9.34495  0.135259  9.87976  0.160156  
1 1 1 19 12 19 o 6.66402  0.0842768 44.4175      1.12324  45.3472      1.58622  43.4824      1.59081  6.73279  0.117798  6.59284  0.120647  
1 1 1 19 12 20 o 7.67983  0.0980972 58.9971      1.50674  60.0144      2.14455  58.0055      2.11742  7.74463  0.138454  7.61389  0.13905   
1 1 1 19 12 21 o 8.6776   0.0888111 75.3231      1.54134  77.3069      2.16353  73.2786      2.1964   8.78992  0.123069  8.55763  0.12833   
1 1 1 19 12 22 o 10.2803  0.0995934 105.733      2.04769  107.827      2.95443  103.798      2.84066  10.379   0.142328  10.1834  0.139475  
1 1 1 19 12 23 o 9.07401  0.0931973 82.3786      1.69134  84.4577      2.33509  80.084       2.45312  9.18583  0.127103  8.94414  0.137136  
1 1 1 19 12 24 o 3.12689  0.146687  9.79205      0.917345 11.3183      1.24942  8.00703      1.35119  3.36018  0.185915  2.82399  0.239235  
1 1 1 19 12 25 o 6.53479  0.0921358 42.7359      1.20418  42.969       1.67934  42.4891      1.72761  6.55026  0.128189  6.51325  0.132623  
1 1 1 19 12 26 o 7.64389  0.0938826 58.486       1.43526  57.8429      1.99733  59.1726      2.06382  7.5982   0.131435  7.68472  0.134281  
1 1 1 19 12 27 f 3.2374   0.135741  10.5068      0.878898 10.6668      1.26062  10.3554      1.226    3.2578   0.193477  3.2101   0.19096   
1 1 1 19 12 28 o 1.24721  0.328941  1.6392       0.832383 2.38477      1.19782  0.942921     1.15755  1.49857  0.3943    1.08179  0.401705  
1 1 1 19 12 29 o 2.00544  0.206021  4.05443      0.826329 4.84421      1.16152  3.24506      1.17583  2.18627  0.265639  1.75246  0.347841  
1 1 1 19 12 30 o 4.81424  0.11241   23.2411      1.08234  22.4975      1.51359  24.0192      1.54831  4.72998  0.159999  4.8876   0.158392  
1 1 1 19 12 31 o 4.46518  0.127818  20.0261      1.14146  21.5352      1.59596  18.4456      1.63322  4.62214  0.172643  4.27393  0.191068  
1 1 1 19 12 32 o 3.40641  0.138113  11.6729      0.94094  12.7864      1.33744  10.5817      1.32404  3.55604  0.188052  3.23164  0.204856  
1 1 1 19 12 33 o 3.85552  0.139907  14.9696      1.07883  16.6804      1.51574  13.2131      1.53584  4.05862  0.186731  3.60549  0.212987  
1 1 1 19 12 34 o 0.999349 0.355012  0.932107     0.893659 0.989225     1.28281  0.878249     1.24566  1.10041  0.419389  1.066    0.411402  
1 1 1 19 12 35 o 3.87363  0.13838   15.1493      1.07207  13.7098      1.4653   16.8073      1.57264  3.66626  0.199836  4.0618   0.193589  
1 1 1 19 12 36 o 1.64918  0.310122  2.95047      0.985295 2.78413      1.30694  3.16949      1.49969  1.56417  0.412012  1.65741  0.443549  
1 1 1 19 12 37 o 1.66837  0.316731  3.04821      1.01861  2.37897      1.43467  3.72851      1.44647  1.43522  0.449897  1.80264  0.4103    
1 1 1 19 12 38 o 2.95845  0.179918  8.96784      1.06455  8.78389      1.47624  9.16715      1.53659  2.89294  0.255145  2.95258  0.260212  
1 1 1 19 12 39 o 2.85178  0.193997  8.40252      1.10647  8.39176      1.61909  8.41196      1.51561  2.79518  0.289622  2.81156  0.269533  
1 1 1 19 12 40 o 1.20461  0.37599   1.72883      1.00346  0.747412     1.39457  2.78247      1.44497  1.00389  0.418387  1.47423  0.449398  
1 1 1 19 12 41 o 0.968217 0.365022  0.988391     0.963059 1.64284      1.33294  0.273662     1.39298  1.16357  0.431267  0.907268 0.398716  
1 1 1 19 12 42 o 0.834561 0.354606  0.475532     1.03381  -0.658651    1.42049  1.7528       1.50743  0.765541 0.359665  1.14251  0.449911  
1 1 1 19 12 43 o 0.811358 0.357437  0.369359     1.12513  2.11074      1.55701  -1.53369     1.62768  1.16234  0.4574    0.716759 0.349473  
1 1 1 19 12 44 o 0.757699 0.345066  0.167859     1.15685  1.33         1.63223  -1.0052      1.63988  0.973014 0.429341  0.73162  0.355284  
1 1 1 19 12 45 f 1.03968  0.400099  2.05226      1.17638  1.53732      1.66109  2.5704       1.66624  0.90227  0.411596  1.04021  0.446329  
1 1 1 19 12 46 o 0.77475  0.356584  1.06917      1.27939  0.822852     1.75157  1.35088      1.87321  0.75145  0.365625  0.788771 0.382025  
1 1 1 19 13 0  o 6.916    0.0942343 47.8629      1.3029   47.8629      1.3029   47.8629      1.3029   6.91715  0.0666087 ?        ?         
1 1 1 19 13 1  f 5.4978   0.0577281 30.2283      0.634756 32.5873      0.939525 28.2473      0.860971 5.70805  0.0822983 5.31438  0.0810038 
1 1 1 19 13 2  o 17.4904  0.128827  306.038      4.50647  305.352      6.36112  306.73       6.38517  17.4671  0.182088  17.5065  0.182366  
1 1 1 19 13 3  o 3.47149  0.0598451 12.0523      0.415504 11.0646      0.565849 13.208       0.612094 3.32606  0.0850631 3.63397  0.0842183 
1 1 1 19 13 4  o 5.81757  0.0621408 33.8472      0.723016 33.0337      1.02756  34.645       1.01751  5.74694  0.0894005 5.88546  0.0864431 
1 1 1 19 13 5  o 8.54958  0.072474  73.1045      1.23925  73.146       1.75391  73.0631      1.75121  8.55147  0.10255   8.54662  0.10245   
1 1 1 19 13 6  o 8.92893  0.0716629 79.7352      1.27975  77.3375      1.81203  82.1214      1.80765  8.79307  0.103037  9.06102  0.0997484 
1 1 1 19 13 7  o 9.36283  0.0712471 87.6719      1.33415  89.4956      1.90043  85.8998      1.8734   9.45918  0.100454  9.26719  0.101077  
1 1 1 19 13 8  o 10.067   0.0860161 101.359      1.73185  103.472      2.70225  99.8865      2.2561   10.1704  0.132849  9.99309  0.112883  
1 1 1 19 13 9  o 10.7719  0.0864574 116.049      1.86262  122.327      2.79999  111.064      2.49466  11.0586  0.126597  10.5374  0.118371  
1 1 1 19 13 10 o 25.5923  0.174826  655.274      8.94841  660.696      12.7603  650.027      12.5522  25.6916  0.248336  25.4835  0.246281  
1 1 1 19 13 11 o 20.9464  0.141135  438.88       5.91252  440.057      8.38659  437.716      8.33677  20.9713  0.199954  20.9155  0.199297  
1 1 1 19 13 12 o 5.02545  0.0605659 25.2565      0.608742 25.6191      0.861857 24.8956      0.859929 5.06125  0.0851427 4.98927  0.0861778 
1 1 1 19 13 13 o 8.45717  0.0711998 71.5292      1.2043   72.5524      1.71432  70.5322      1.69216  8.51711  0.10064   8.39769  0.100752  
1 1 1 19 13 14 o 12.8548  0.0956755 165.27       2.45977  166.642      3.54134  163.99       3.41916  12.907   0.137187  12.804   0.13352   
1 1 1 19 13 15 o 3.85487  0.0790055 14.8618      0.609112 15.1014      0.858132 14.6184      0.864734 3.88561  0.110425  3.82294  0.113098  
1 1 1 19 13 16 o 16.7516  0.120984  280.701      4.05336  281.771      5.81537  279.69       5.65273  16.7808  0.173275  16.719   0.169052  
1 1 1 19 13 17 o 14.521   0.107042  210.913      3.10871  210.933      4.38961  210.892      4.40319  14.5199  0.151158  14.5185  0.151641  
1 1 1 19 13 18 o 12.351   0.11051   152.592      2.7298   153.2        3.91336  152.016      3.80977  12.3736  0.158133  12.3259  0.154544  
1 1 1 19 13 19 o 12.8129  0.0979935 164.213      2.51115  163.225      3.51181  165.246      3.59217  12.7726  0.137475  12.8513  0.139759  
1 1 1 19 13 20 o 7.60151  0.103642  57.8028      1.57568  58.0323      2.15205  57.5375      2.31337  7.61546  0.141295  7.58252  0.152546  
1 1 1 19 13 21 o 12.7508  0.101249  162.652      2.58201  162.287      3.58743  163.045      3.71915  12.734   0.140861  12.7633  0.145697  
1 1 1 19 13 22 o 8.35081  0.0957966 69.7684      1.59996  70.9632      2.26924  68.5873      2.25618  8.42011  0.134751  8.27787  0.136278  
1 1 1 19 13 23 o 5.67579  0.0986953 32.2336      1.12035  33.1934      1.57599  31.2529      1.59297  5.75809  0.13685   5.58698  0.142561  
1 1 1 19 13 24 o 9.80113  0.103412  96.138       2.02711  97.4456      2.79467  94.6862      2.94476  9.86406  0.141659  9.72236  0.151443  
1 1 1 19 13 25 o 7.7032   0.0894342 59.3854      1.37786  60.4477      1.95255  58.3317      1.94465  7.76888  0.125665  7.63153  0.127409  
1 1 1 19 13 26 o 7.54819  0.0906789 57.0289      1.36892  55.9976      1.91868  58.0981      1.9537   7.47607  0.128321  7.615    0.12828   
1 1 1 19 13 27 o 6.85324  0.0894779 47.0196      1.22643  46.1421      1.70058  47.9705      1.77038  6.78532  0.125313  6.91813  0.127953  
1 1 1 19 13 28 o 4.16654  0.114279  17.3976      0.952296 18.1951      1.3834   16.6794      1.31287  4.25618  0.162516  4.07521  0.16108   
1 1 1 19 13 29 o 2.17826  0.198037  4.78175      0.862753 4.15686      1.20256  5.44451      1.23847  2.02121  0.297484  2.31703  0.267254  
1 1 1 19 13 30 o 3.10207  0.151908  9.67363      0.942458 9.50936      1.33433  9.83717      1.33135  3.06722  0.217514  3.12028  0.213338  
1 1 1 19 13 31 o 4.31158  0.123291  18.669       1.06316  19.9274      1.47981  17.3267      1.52843  4.44692  0.166386  4.14297  0.184461  
1 1 1 19 13 32 o 0.891445 0.336827  0.618974     0.821549 -0.381276    1.16324  1.61445      1.16046  0.801425 0.357076  1.24938  0.406121  
1 1 1 19 13 33 o 1.84726  0.260698  3.49534      0.963155 3.92948      1.35865  3.05675      1.36559  1.90756  0.369302  1.66637  0.411631  
1 1 1 19 13 34 o 2.07295  0.21465   4.37667      0.889914 3.67772      1.23297  5.13673      1.28574  1.84693  0.34657   2.22913  0.288396  
1 1 1 19 13 35 o 4.06648  0.136049  16.6916      1.10648  17.59        1.54402  15.7431      1.58643  4.15782  0.185677  3.92731  0.201974  
1 1 1 19 13 36 o 1.80795  0.267504  3.40684      0.967271 3.35469      1.30069  3.47136      1.4468   1.72764  0.386223  1.74319  0.419453  
1 1 1 19 13 37 o 2.02691  0.251558  4.28767      1.01977  5.18498      1.46912  3.45331      1.41666  2.19383  0.334829  1.72802  0.414593  
1 1 1 19 13 38 o 1.799    0.283228  3.43539      1.01905  3.47082      1.39913  3.39537      1.48722  1.72463  0.410909  1.69174  0.436701  
1 1 1 19 13 39 o 1.95852  0.263542  4.07692      1.0323   2.86682      1.46005  5.28654      1.45975  1.53144  0.448317  2.19169  0.333021  
1 1 1 19 13 40 o 1.07118  0.374155  1.30517      0.988956 1.15235      1.36891  1.47201      1.4303   1.07529  0.427058  1.14894  0.441398  
1 1 1 19 13 41 o 0.64585  0.302333  -0.642883    0.97231  1.05388      1.35904  -2.42205     1.39165  1.03183  0.419378  0.624181 0.307798  
1 1 1 19 13 42 o 0.551644 0.271165  -1.63397     1.03009  -1.40252     1.45119  -1.86901     1.4624   0.701869 0.339294  0.6687   0.327099  
1 1 1 19 13 43 o 0.741777 0.33836   -0.0365497   1.12214  0.654739     1.49056  -0.940859    1.70481  0.904745 0.403626  0.77206  0.372028  
1 1 1 19 13 44 o 2.1475   0.289566  5.72114      1.24369  5.99429      1.73589  5.43305      1.78273  1.92236  0.457491  1.75472  0.489624  
1 1 1 19 13 45 o 0.90693  0.378779  1.46848      1.14677  0.892081     1.60126  2.07541      1.64311  0.819765 0.384502  0.957711 0.42562   
1 1 1 19 13 46 o 0.634511 0.309592  -0.226552    1.2857   -0.351005    1.74903  -0.080242    1.89641  0.668695 0.332683  0.692497 0.344786  
1 1 1 19 14 0  o 11.1459  0.110144  124.285      2.45476  124.285      2.45476  124.285      2.45476  11.1471  0.0778663 ?        ?         
1 1 1 19 14 1  f 11.3585  0.0798883 129.035      1.81482  129.798      2.60638  128.317      2.52848  11.3911  0.114405  11.326   0.111623  
1 1 1 19 14 2  o 16.7653  0.117992  281.17       3.95634  280.117      5.57     282.241      5.62056  16.7311  0.166457  16.7943  0.167335  
1 1 1 19 14 3  o 7.31071  0.065083  53.4519      0.951606 53.6644      1.3877   53.2632      1.30743  7.32481  0.0947261 7.29746  0.0895812 
1 1 1 19 14 4  o 21.2947  0.1489    453.698      6.34153  447.147      8.8446   460.628      9.0973   21.1349  0.209242  21.4508  0.212051  
1 1 1 19 14 5  o 13.3116  0.0960836 177.237      2.55805  174.781      3.57279  179.82       3.66421  13.2176  0.135152  13.4068  0.136655  
1 1 1 19 14 6  o 8.33275  0.0680954 69.4414      1.13484  69.2472      1.58117  69.6477      1.62976  8.32069  0.0950141 8.34467  0.0976527 
1 1 1 19 14 7  o 25.0507  0.183006  627.938      9.16885  628.835      13.3296  627.132      12.6319  25.0594  0.265961  25.0272  0.252364  
1 1 1 19 14 8  o 14.8472  0.104168  220.481      3.09319  221.517      4.39944  219.468      4.34986  14.8806  0.147825  14.8116  0.146839  
1 1 1 19 14 9  o 28.6281  0.203725  820.107      11.6645  835.293      16.7979  805.966      16.2101  28.8818  0.290805  28.3709  0.285681  
1 1 1 19 14 10 o 23.6098  0.158341  557.626      7.4768   567.509      10.751   548.369      10.4051  23.8134  0.225734  23.4087  0.222248  
1 1 1 19 14 11 o 12.1159  0.0926676 146.814      2.24551  148.856      3.21925  144.88       3.13374  12.1991  0.131947  12.0351  0.130192  
1 1 1 19 14 12 o 12.8236  0.0910006 164.464      2.3339   164.967      3.30917  163.966      3.29217  12.8423  0.128839  12.8033  0.128567  
1 1 1 19 14 13 o 7.4401   0.0660164 55.3588      0.982337 55.4696      1.39315  55.2491      1.38535  7.44728  0.0935344 7.43247  0.0931956 
1 1 1 19 14 14 o 19.707   0.134057  388.489      5.28374  387.917      7.46097  389.064      7.48375  19.6893  0.189467  19.7184  0.189765  
1 1 1 19 14 15 o 26.7805  0.181392  717.671      9.71556  717.87       13.8962  717.481      13.5887  26.7749  0.259501  26.7684  0.253819  
1 1 1 19 14 16 o 14.468   0.10869   209.374      3.14503  208.721      4.54764  209.973      4.35417  14.4434  0.15743   14.487   0.150279  
1 1 1 19 14 17 o 12.7231  0.102885  161.915      2.61802  163.691      3.67572  160.086      3.72976  12.7912  0.143682  12.6494  0.147428  
1 1 1 19 14 18 o 18.9005  0.138858  357.404      5.24897  356.146      7.31366  358.741      7.53774  18.8627  0.193866  18.9308  0.199087  
1 1 1 19 14 19 o 9.94458  0.0881573 98.917       1.75337  101.454      2.56487  96.6912      2.40239  10.07    0.127351  9.83102  0.122184  
1 1 1 19 14 20 o 7.21701  0.0944398 52.1013      1.36315  51.8612      1.86823  52.3748      1.99342  7.19936  0.129749  7.23465  0.137769  
1 1 1 19 14 21 o 12.1077  0.100839  146.664      2.44186  149.65       3.46387  143.713      3.44286  12.2276  0.141641  11.9824  0.143663  
1 1 1 19 14 22 o 7.33628  0.096154  53.8478      1.41083  52.377       1.88481  55.722       2.1276   7.23391  0.130276  7.46066  0.142588  
1 1 1 19 14 23 o 4.27649  0.113964  18.3036      0.97473  18.6386      1.29772  17.8698      1.47647  4.31409  0.150404  4.2231   0.174809  
1 1 1 19 14 24 o 8.29029  0.0953014 68.7782      1.58015  69.1985      2.23821  68.3605      2.23116  8.31255  0.134628  8.26203  0.135025  
1 1 1 19 14 25 o 5.48255  0.0946134 30.0864      1.03745  30.2741      1.47375  29.9019      1.46067  5.49709  0.134048  5.46323  0.133682  
1 1 1 19 14 26 o 10.587   0.0971394 112.212      2.05683  112.899      2.81104  111.421      3.01751  10.6141  0.13242   10.5425  0.143112  
1 1 1 19 14 27 o 1.53192  0.255227  2.36898      0.781974 0.137662     1.07682  4.85858      1.13743  0.872261 0.365828  2.19346  0.259278  
1 1 1 19 14 28 o 10.0103  0.0974324 100.372      1.95065  101.646      2.78773  99.1495      2.73043  10.065   0.138486  9.94092  0.137333  
1 1 1 19 14 29 o 3.72783  0.124772  13.9408      0.930254 13.2252      1.28581  14.7267      1.34752  3.6251   0.177348  3.82552  0.176122  
1 1 1 19 14 30 o 2.83872  0.160423  8.10798      0.910792 7.53949      1.26359  8.72273      1.31399  2.72836  0.231567  2.93588  0.223782  
1 1 1 19 14 31 o 1.50987  0.292897  2.4102       0.852907 0.974459     1.2153   3.80368      1.19729  1.0924   0.410416  1.92373  0.311189  
1 1 1 19 14 32 o 2.04842  0.22068   4.26506      0.904092 3.66928      1.30435  4.81598      1.25428  1.84508  0.366487  2.16372  0.289844  
1 1 1 19 14 33 o 4.0342   0.126444  16.37        1.0202   17.4683      1.44816  15.2879      1.43747  4.15629  0.174213  3.88551  0.184978  
1 1 1 19 14 34 o 3.55748  0.13385   12.7509      0.952336 13.1333      1.36265  12.3858      1.3315   3.59673  0.189429  3.49255  0.19062   
1 1 1 19 14 35 o 3.05229  0.166628  9.45207      1.0172   8.96884      1.43743  9.93679      1.43964  2.94914  0.243703  3.10878  0.231545  
1 1 1 19 14 36 o 0.913198 0.35774   0.619616     0.949219 0.267203     1.28833  1.03809      1.4039   0.935763 0.396656  1.11555  0.435461  
1 1 1 19 14 37 o 2.09428  0.239396  4.56749      1.00273  3.17935      1.42695  5.92161      1.40936  1.64669  0.429024  2.35883  0.29874   
1 1 1 19 14 38 o 1.08379  0.37767   1.23887      1.00713  1.83535      1.38935  0.578377     1.46201  1.27858  0.443773  1.02182  0.427283  
1 1 1 19 14 39 o 0.664018 0.307745  -0.629166    0.974301 -1.32964     1.3562   0.11794      1.40061  0.720059 0.343253  0.915515 0.401088  
1 1 1 19 14 40 o 1.33912  0.371171  2.17071      1.02787  2.1704       1.42802  2.17103      1.48066  1.30844  0.450312  1.30689  0.457689  
1 1 1 19 14 41 o 1.24536  0.381164  1.95521      1.03809  3.33739      1.45549  0.524165     1.481    1.57521  0.443347  0.953341 0.415081  
1 1 1 19 14 42 o 0.746398 0.335462  -0.010964    1.04675  -0.668028    1.43789  0.729832     1.52677  0.765825 0.360398  0.959685 0.419612  
1 1 1 19 14 43 o 1.97141  0.30448   4.77945      1.20051  4.85655      1.62418  4.6866       1.78238  1.76348  0.456906  1.64672  0.498548  
1 1 1 19 14 44 o 1.08477  0.404016  1.91709      1.17264  2.72598      1.65408  1.09978      1.66268  1.17616  0.468708  0.925127 0.418896  
1 1 1 19 14 45 f 0.957777 0.391757  1.72969      1.1935   2.68897      1.69835  0.793747     1.67756  1.04155  0.448844  0.816658 0.385817  
1 1 1 19 15 0  o 25.0602  0.246859  628.646      12.37    628.646      12.37    628.646      12.37    25.0665  0.174493  ?        ?         
1 1 1 19 15 1  o 11.9126  0.0852025 141.934      2.02996  143.116      2.92465  140.834      2.81982  11.961   0.122258  11.8654  0.118826  
1 1 1 19 15 2  o 22.5471  0.153824  508.652      6.93656  505.276      9.74077  512.125      9.88028  22.4658  0.216791  22.6174  0.218422  
1 1 1 19 15 3  f 3.16903  0.0598252 10.0436      0.379176 10.1525      0.541641 9.93891      0.530989 3.18603  0.0850024 3.15234  0.0842213 
1 1 1 19 15 4  o 18.6127  0.130794  346.562      4.86885  342.268      6.80027  351.079      6.97423  18.4935  0.183856  18.7298  0.18618   
1 1 1 19 15 5  f 16.5058  0.118338  272.519      3.90651  270.724      5.55484  274.275      5.49493  16.4488  0.168852  16.5565  0.165945  
1 1 1 19 15 6  o 10.2932  0.0847776 105.965      1.74527  106.499      2.47718  105.44       2.4593   10.3184  0.120037  10.267   0.119767  
1 1 1 19 15 7  o 16.8094  0.126562  282.635      4.25486  283.396      6.12397  281.926      5.91597  16.8294  0.181942  16.7861  0.176217  
1 1 1 19 15 8  o 13.5041  0.0957496 182.388      2.58603  182.339      3.66178  182.438      3.65264  13.5013  0.135609  13.5049  0.135233  
1 1 1 19 15 9  o 4.22121  0.0595372 17.8195      0.502638 17.9536      0.717753 17.6905      0.704117 4.23694  0.0847018 4.20579  0.0837081 
1 1 1 19 15 10 o 12.0709  0.0860419 145.723      2.07721  144.851      2.92599  146.61       2.9494   12.0341  0.121571  12.1069  0.121806  
1 1 1 19 15 11 o 2.27178  0.0934047 5.16166      0.42439  5.70162      0.603064 4.6319       0.597332 2.38752  0.126295  2.15187  0.138794  
1 1 1 19 15 12 o 10.0917  0.0770037 101.851      1.55419  103.234      2.25118  100.591      2.14834  10.1595  0.110792  10.0286  0.10711   
1 1 1 19 15 13 o 18.9461  0.129044  359.053      4.88975  358.388      6.90314  359.723      6.92722  18.9258  0.182373  18.961   0.18267   
1 1 1 19 15 14 o 15.9392  0.110801  254.118      3.53218  253.835      4.98993  254.402      5.0006   15.9285  0.156635  15.9463  0.156795  
1 1 1 19 15 15 o 23.7197  0.159866  562.919      7.58393  564.337      10.7484  561.512      10.7023  23.7432  0.226347  23.6837  0.225943  
1 1 1 19 15 16 o 10.3662  0.0858041 107.475      1.77892  106.616      2.53167  108.313      2.50017  10.3238  0.122613  10.4057  0.120135  
1 1 1 19 15 17 o 6.13429  0.0852723 37.6361      1.04617  36.563       1.45652  38.7797      1.50363  6.04568  0.120459  6.22625  0.120749  
1 1 1 19 15 18 o 10.9663  0.0938619 120.289      2.05864  119.833      2.86332  120.776      2.96189  10.9443  0.130814  10.9871  0.134789  
1 1 1 19 15 19 o 4.94428  0.0972799 24.4531      0.961959 24.4164      1.37165  24.4886      1.34945  4.93983  0.138836  4.94717  0.136386  
1 1 1 19 15 20 o 10.4032  0.0946596 108.264      1.96953  107.96       2.79787  108.561      2.77297  10.3868  0.134684  10.4158  0.133114  
1 1 1 19 15 21 o 2.83977  0.156208  8.07366      0.887191 6.26876      1.21599  10.128       1.29731  2.50022  0.243177  3.1793   0.204024  
1 1 1 19 15 22 o 4.18301  0.114511  17.5107      0.958001 16.7296      1.32237  18.3734      1.38977  4.08715  0.161772  4.28322  0.162235  
1 1 1 19 15 23 f 2.64018  0.158323  6.98247      0.836006 6.9573       1.13027  7.01288      1.24222  2.63349  0.214596  2.64316  0.234988  
1 1 1 19 15 24 o 2.45192  0.169263  6.02672      0.83004  6.72618      1.17007  5.31815      1.17767  2.58778  0.226076  2.29961  0.256059  
1 1 1 19 15 25 o 4.16517  0.111596  17.372       0.929631 16.3893      1.27906  18.4724      1.35349  4.04292  0.158186  4.2922   0.157668  
1 1 1 19 15 26 o 7.20846  0.0909136 52.0172      1.31069  51.0459      1.77861  53.1714      1.93896  7.1375   0.124596  7.28355  0.133105  
1 1 1 19 15 27 o 2.20634  0.178985  4.89148      0.789802 5.55125      1.12506  4.25039      1.10901  2.34582  0.2398    2.05022  0.270462  
1 1 1 19 15 28 o 4.87831  0.100602  23.8419      0.981533 22.9392      1.33994  24.8871      1.44186  4.78089  0.140134  4.97915  0.144789  
1 1 1 19 15 29 o 4.52687  0.10679   20.5416      0.96685  20.2609      1.38056  20.8118      1.35447  4.49018  0.153732  4.55151  0.148794  
1 1 1 19 15 30 o 3.08395  0.149487  9.56445      0.922021 8.79322      1.31426  10.3119      1.29385  2.94695  0.222986  3.19477  0.202495  
1 1 1 19 15 31 o 3.2932   0.137854  10.9068      0.907966 9.88508      1.26866  11.9797      1.30003  3.12495  0.202988  3.44296  0.188796  
1 1 1 19 15 32 o 3.04575  0.157391  9.35802      0.958749 9.29431      1.40626  9.41336      1.31055  3.0196   0.232855  3.04306  0.215333  
1 1 1 19 15 33 o 4.56943  0.11674   20.9884      1.06687  20.3414      1.52991  21.6009      1.4885   4.48521  0.170551  4.62478  0.160927  
1 1 1 19 15 34 f 0.66354  0.301542  -0.459128    0.873176 0.325116     1.23672  -1.23865     1.233    0.94261  0.393497  0.707848 0.333295  
1 1 1 19 15 35 o 1.48018  0.322378  2.39631      0.927812 3.16118      1.3505   1.71261      1.27684  1.67223  0.407064  1.26505  0.426     
1 1 1 19 15 36 o 1.36488  0.34839   2.07638      0.954386 1.8866       1.33157  2.27686      1.3686   1.30688  0.435034  1.41291  0.438721  
1 1 1 19 15 37 o 0.887479 0.353019  0.561592     0.936738 0.429238     1.35658  0.682212     1.29505  0.973117 0.409482  1.00592  0.409205  
1 1 1 19 15 38 o 2.0694   0.245896  4.49715      1.01772  3.99499      1.40587  5.05003      1.47516  1.85824  0.390647  2.14468  0.343912  
1 1 1 19 15 39 o 2.55153  0.202654  6.78511      1.03416  6.68332      1.43948  6.89369      1.4867   2.48072  0.290132  2.51576  0.295477  
1 1 1 19 15 40 o 1.4791   0.355922  2.61527      1.04169  3.34336      1.47396  1.88875      1.47237  1.60804  0.44398   1.23808  0.454091  
1 1 1 19 15 41 o 0.696538 0.322481  -0.481244    1.06627  -0.410045    1.44819  -0.565537    1.57574  0.814723 0.376671  0.827758 0.386599  
1 1 1 19 15 42 o 0.684369 0.316371  -0.366182    1.02128  -1.30864     1.41718  0.65204      1.47304  0.697423 0.336825  0.936727 0.410848  
1 1 1 19 15 43 o 0.780583 0.35275   0.236622     1.1733   -0.438715    1.52954  1.20219      1.8289   0.769608 0.365856  0.982596 0.442419  
1 1 1 19 15 44 o 0.642362 0.30738   -0.519562    1.11421  0.950538     1.57348  -1.99811     1.578    0.878449 0.400693  0.633649 0.315351  
1 1 1 19 15 45 o 0.602209 0.294275  -0.901942    1.17572  -1.82148     1.67203  -0.00262101  1.65355  0.637857 0.31844   0.751151 0.362955  
1 1 1 19 16 0  o 2.56198  0.0993751 6.59403      0.507454 6.59403      0.507454 6.59403      0.507454 2.56495  0.0700659 ?        ?         
1 1 1 19 16 1  o 19.1076  0.132361  365.24       5.05821  368.429      7.29797  362.291      7.01708  19.1868  0.190182  19.0268  0.1844    
1 1 1 19 16 2  o 7.83833  0.0639807 61.4448      1.003    61.2983      1.39319  61.6024      1.44516  7.82865  0.0889801 7.848    0.0920719 
1 1 1 19 16 3  f 9.47672  0.074268  89.8184      1.40763  88.1306      1.96421  91.6003      2.01828  9.38672  0.104627  9.5697   0.105452  
1 1 1 19 16 4  f 9.91174  0.0780491 98.2542      1.54721  97.9069      2.15154  98.6262      2.22655  9.89364  0.108733  9.92984  0.112114  
1 1 1 19 16 5  o 15.343   0.114832  235.463      3.52374  235.69       4.98705  235.237      4.9796   15.3484  0.162461  15.3337  0.162374  
1 1 1 19 16 6  o 7.02278  0.0705869 49.3236      0.991432 48.2716      1.38907  50.416       1.41549  6.94717  0.0999741 7.09981  0.0996851 
1 1 1 19 16 7  o 12.7896  0.0992047 163.599      2.53758  165.624      3.58406  161.565      3.5933   12.8675  0.139269  12.7088  0.141371  
1 1 1 19 16 8  o 14.5084  0.100097  210.525      2.90449  209.413      4.08875  211.658      4.12666  14.4689  0.141294  14.5462  0.141846  
1 1 1 19 16 9  o 29.5007  0.205404  870.83       12.1191  871.731      17.1539  869.931      17.1241  29.5064  0.290681  29.476   0.290476  
1 1 1 19 16 10 o 8.6739   0.0682632 75.2418      1.18422  75.2602      1.67763  75.2235      1.67186  8.67465  0.0966972 8.67254  0.0963879 
1 1 1 19 16 11 o 9.92939  0.0793735 98.6021      1.57626  98.2113      2.14132  99.0644      2.3288   9.90928  0.108046  9.95207  0.117001  
1 1 1 19 16 12 o 11.5211  0.0842269 132.751      1.94078  132.187      2.73708  133.321      2.75233  11.496   0.119045  11.5452  0.119198  
1 1 1 19 16 13 o 18.7525  0.127823  351.759      4.79401  354.924      6.83529  348.696      6.72556  18.8338  0.181463  18.668   0.180137  
1 1 1 19 16 14 o 15.5904  0.110138  243.119      3.43419  242.974      4.91281  243.258      4.80243  15.5837  0.157627  15.593   0.153993  
1 1 1 19 16 15 o 10.5892  0.0826575 112.148      1.75056  114.776      2.5155   109.68       2.43767  10.7118  0.117417  10.4713  0.116397  
1 1 1 19 16 16 o 14.4074  0.109715  207.628      3.16141  210.52       4.46938  204.732      4.47244  14.5054  0.154059  14.3045  0.15633   
1 1 1 19 16 17 o 8.29126  0.0870044 68.7581      1.44275  68.3176      2.06694  69.1766      2.01478  8.26381  0.12506   8.3157   0.121143  
1 1 1 19 16 18 o 16.4096  0.121009  269.388      3.97144  274.98       5.7696   264.353      5.47491  16.5753  0.174042  16.2523  0.168435  
1 1 1 19 16 19 o 1.75878  0.244945  3.09943      0.861611 2.72821      1.17225  3.53561      1.2707   1.6161   0.370411  1.84565  0.356983  
1 1 1 19 16 20 o 6.75147  0.0885613 45.5973      1.19584  46.7449      1.69024  44.4471      1.6921   6.83481  0.123649  6.66459  0.126947  
1 1 1 19 16 21 o 12.4739  0.106096  155.686      2.64686  155.568      3.76776  155.802      3.71917  12.4655  0.151128  12.475   0.149065  
1 1 1 19 16 22 o 1.03966  0.338128  1.05077      0.804414 1.0144       1.09777  1.09295      1.18214  1.09393  0.392981  1.13495  0.407796  
1 1 1 19 16 23 o 4.83655  0.10012   23.4093      0.968473 22.9056      1.33419  23.9703      1.40805  4.78255  0.139485  4.89221  0.143907  
1 1 1 19 16 24 o 1.21271  0.316806  1.53947      0.77677  1.56762      1.06894  1.50798      1.13069  1.24609  0.38789   1.23687  0.400804  
1 1 1 19 16 25 o 4.08407  0.115921  16.7049      0.946863 15.3585      1.30362  18.2083      1.37757  3.91287  0.166581  4.26085  0.161655  
1 1 1 19 16 26 o 3.85789  0.116992  14.9112      0.902686 14.7695      1.27614  15.0532      1.27704  3.83584  0.166345  3.87263  0.16488   
1 1 1 19 16 27 o 2.62968  0.149517  6.93985      0.786365 8.25125      1.11293  5.63239      1.11125  2.8638   0.194309  2.36277  0.235159  
1 1 1 19 16 28 o 5.49701  0.0936141 30.2679      1.0292   29.6281      1.42922  30.9571      1.48329  5.43418  0.131503  5.55443  0.133523  
1 1 1 19 16 29 o 5.25214  0.0994449 27.6446      1.0446   27.3798      1.49393  27.8979      1.46119  5.22098  0.14307   5.27087  0.13861   
1 1 1 19 16 30 f 3.78695  0.128204  14.4041      0.971003 13.9644      1.36058  14.8604      1.38619  3.72041  0.182854  3.83834  0.180572  
1 1 1 19 16 31 o 2.64841  0.162994  7.07175      0.86335  7.52009      1.23036  6.63686      1.21177  2.72075  0.226107  2.55398  0.237232  
1 1 1 19 16 32 o 1.53577  0.302994  2.51349      0.897524 4.22058      1.31089  1.0071       1.23142  2.01613  0.325099  1.09712  0.412943  
1 1 1 19 16 33 f 4.70815  0.114037  22.2807      1.0738   21.2915      1.54485  23.2054      1.49362  4.58858  0.168336  4.79421  0.155773  
1 1 1 19 16 34 o 1.84174  0.24525   3.49345      0.903371 4.15469      1.29602  2.86858      1.25987  1.98681  0.326155  1.60292  0.395019  
1 1 1 19 16 35 o 1.74226  0.278101  3.16961      0.969049 3.40217      1.37021  2.93689      1.37068  1.73538  0.402295  1.60417  0.421658  
1 1 1 19 16 36 o 1.89341  0.257435  3.73731      0.97486  3.8878       1.38898  3.5912       1.36856  1.85611  0.386877  1.77815  0.395198  
1 1 1 19 16 37 o 0.922498 0.358403  0.68971      0.948676 1.21821      1.37801  0.213554     1.30799  1.13481  0.434039  0.921173 0.395357  
1 1 1 19 16 38 o 0.806597 0.340906  0.226797     0.947087 1.0034       1.35987  -0.504711    1.3198   1.07401  0.42593   0.808218 0.368205  
1 1 1 19 16 39 o 1.08104  0.372136  1.31314      0.975285 1.6606       1.34957  0.933329     1.41101  1.19899  0.43523   1.04813  0.426878  
1 1 1 19 16 40 o 0.930728 0.368275  0.791493     1.01452  1.86977      1.42917  -0.303776    1.44038  1.22815  0.447678  0.843377 0.384339  
1 1 1 19 16 41 o 1.83087  0.298251  3.83987      1.09212  4.25416      1.51653  3.39354      1.57406  1.7822   0.429819  1.5383   0.469066  
1 1 1 19 16 42 o 0.871779 0.359599  0.710355     1.01406  1.9892       1.42239  -0.611455    1.44609  1.17676  0.44362   0.768301 0.361523  
1 1 1 19 16 43 o 0.799932 0.353575  0.462321     1.11343  0.943542     1.50779  -0.114804    1.65122  0.920052 0.408446  0.814066 0.384007  
1 1 1 19 16 44 o 0.832229 0.361082  0.931918     1.11338  2.29391      1.57932  -0.413775    1.56984  1.04439  0.440759  0.72614  0.351349  
1 1 1 19 16 45 o 0.636733 0.306786  -0.405551    1.15854  -0.134279    1.6468   -0.67137     1.63016  0.729176 0.354704  0.689508 0.339639  
1 1 1 19 17 0  o 1.62935  0.13745   2.7115       0.440573 2.7115       0.440573 2.7115       0.440573 1.63823  0.0958324 ?        ?         
1 1 1 19 17 1  o 2.43758  0.0662903 5.94228      0.323175 6.27837      0.471013 5.64332      0.444239 2.50545  0.0939976 2.37536  0.0935097 
1 1 1 19 17 2  o 18.8441  0.128046  355.211      4.82581  352.042      6.70068  358.625      6.95594  18.757   0.178618  18.9313  0.183716  
1 1 1 19 17 3  o 16.177   0.117654  261.763      3.80658  260.833      5.24406  262.799      5.53429  16.1464  0.162391  16.2067  0.170741  
1 1 1 19 17 4  o 19.9714  0.146998  399.006      5.87148  399.829      8.11514  398.102      8.50568  19.9884  0.202996  19.9444  0.213235  
1 1 1 19 17 5  o 14.2187  0.107729  202.212      3.06355  202.666      4.34242  201.762      4.32267  14.2333  0.152545  14.2015  0.152191  
1 1 1 19 17 6  o 46.873   0.336227  2200.98      31.5199  2195.64      43.9471  2206.64      45.2325  46.7752  0.469769  46.8876  0.48235   
1 1 1 19 17 7  o 7.92489  0.0748798 62.8091      1.18683  61.2467      1.69044  64.328       1.66667  7.82534  0.108011  8.01982  0.103909  
1 1 1 19 17 8  o 9.57089  0.0715334 91.6089      1.36928  92.2687      1.94829  90.9648      1.92482  9.60492  0.101421  9.53682  0.100915  
1 1 1 19 17 9  o 18.5474  0.131076  344.093      4.86225  346.053      6.91462  342.176      6.83853  18.5976  0.1859    18.4932  0.184893  
1 1 1 19 17 10 o 3.33481  0.0680129 11.1217      0.45362  11.8962      0.651101 10.3912      0.63234  3.44885  0.094394  3.2233   0.0980888 
1 1 1 19 17 11 o 8.7256   0.0702748 76.1419      1.22638  75.5944      1.74641  76.6746      1.72256  8.69382  0.10044   8.75574  0.0983676 
1 1 1 19 17 12 o 12.4327  0.0926249 154.594      2.30315  150.655      3.21657  158.738      3.29931  12.2724  0.131049  12.5973  0.130953  
1 1 1 19 17 13 o 13.0994  0.0937747 171.624      2.45679  170.797      3.46092  172.464      3.4881   13.0667  0.132433  13.1303  0.132826  
1 1 1 19 17 14 o 13.8742  0.0990412 192.532      2.74823  195.709      3.94242  189.529      3.83306  13.9867  0.140935  13.7642  0.13924   
1 1 1 19 17 15 o 11.0717  0.0865312 122.603      1.9161   121.011      2.71273  124.188      2.70683  10.9987  0.123321  11.1422  0.121468  
1 1 1 19 17 16 o 5.07275  0.0875179 25.7374      0.887913 28.063       1.25425  23.401       1.25716  5.29657  0.118402  4.83649  0.129966  
1 1 1 19 17 17 o 12.5384  0.102975  157.256      2.58229  156.245      3.67962  158.238      3.62482  12.4961  0.14723   12.5758  0.144119  
1 1 1 19 17 18 o 7.26325  0.0864245 52.7667      1.25545  54.4102      1.8108   51.2455      1.74212  7.37464  0.122772  7.15699  0.121708  
1 1 1 19 17 19 o 18.2884  0.154367  334.755      5.64625  334.588      8.098    334.913      7.8766   18.2754  0.221554  18.2852  0.215382  
1 1 1 19 17 20 o 3.27039  0.128355  10.7035      0.839543 10.4996      1.17979  10.9126      1.19494  3.23784  0.182188  3.30094  0.181     
1 1 1 19 17 21 o 4.17538  0.112595  17.4458      0.940253 16.7899      1.38484  18.0068      1.28069  4.09438  0.169115  4.24082  0.150996  
1 1 1 19 17 22 o 5.87523  0.0958145 34.5386      1.12586  35.2019      1.51762  33.7267      1.679    5.92996  0.127962  5.80352  0.144654  
1 1 1 19 17 23 o 4.31825  0.104125  18.6632      0.899275 18.9539      1.28332  18.3827      1.26052  4.34985  0.147514  4.28382  0.147125  
1 1 1 19 17 24 o 3.43903  0.127513  11.8468      0.877044 11.0308      1.20069  12.7802      1.28417  3.3157   0.181061  3.56903  0.179905  
1 1 1 19 17 25 o 7.7333   0.0901677 59.8618      1.39459  60.2994      1.93846  59.3923      2.00786  7.75804  0.124932  7.69883  0.1304    
1 1 1 19 17 26 o 3.05277  0.130617  9.34212      0.797487 9.41466      1.12589  9.26908      1.12976  3.06091  0.183914  3.03699  0.185999  
1 1 1 19 17 27 o 8.29343  0.0885836 68.8722      1.46932  69.4893      2.11647  68.2982      2.04144  8.32457  0.127122  8.25353  0.123671  
1 1 1 19 17 28 o 4.14573  0.106727  17.2262      0.884924 17.5044      1.24086  16.9383      1.26236  4.17466  0.148618  4.10596  0.153723  
1 1 1 19 17 29 o 2.55146  0.169569  6.55297      0.865296 7.12734      1.22905  5.98846      1.21845  2.65346  0.231593  2.4297   0.250741  
1 1 1 19 17 30 o 0.837685 0.328992  0.444637     0.804033 0.978607     1.15973  -0.0495582   1.1157   1.08131  0.401972  0.842731 0.363487  
1 1 1 19 17 31 o 1.5925   0.261223  2.59162      0.831999 3.87659      1.18283  1.33327      1.17052  1.93979  0.304886  1.17186  0.40727   
1 1 1 19 17 32 o 2.94849  0.161522  8.77487      0.95249  7.37404      1.34438  10.1868      1.34968  2.68526  0.250326  3.16577  0.213168  
1 1 1 19 17 33 o 1.2066   0.347788  1.5651       0.885342 0.816204     1.29359  2.22498      1.21429  1.06361  0.417427  1.42405  0.406289  
1 1 1 19 17 34 o 4.73347  0.115093  22.5553      1.08957  23.0273      1.54279  22.0856      1.53899  4.76741  0.161806  4.66775  0.164854  
1 1 1 19 17 35 o 1.17748  0.369016  1.50666      0.965271 1.87509      1.38047  1.1542       1.35023  1.31243  0.442951  1.13361  0.430786  
1 1 1 19 17 36 o 1.39154  0.343459  2.16466      0.95132  3.21804      1.39278  1.24341      1.3025   1.66858  0.417872  1.138    0.425409  
1 1 1 19 17 37 o 0.618687 0.291061  -0.891826    0.936371 -0.260218    1.35862  -1.4633      1.29232  0.860802 0.384649  0.693913 0.331805  
1 1 1 19 17 38 o 1.33062  0.356105  2.03757      0.966647 2.11021      1.37269  1.96611      1.36147  1.33661  0.4417    1.29898  0.439892  
1 1 1 19 17 39 o 0.944275 0.360774  0.857666     0.951219 1.31706      1.33234  0.380058     1.3585   1.11031  0.42617   0.932737 0.401686  
1 1 1 19 17 40 o 2.90318  0.187803  8.82519      1.09045  8.43177      1.53074  9.23054      1.55379  2.76523  0.276782  2.90198  0.267712  
1 1 1 19 17 41 o 0.802699 0.349992  0.262532     1.05603  -0.304961    1.44981  0.903895     1.54129  0.816202 0.377174  0.998899 0.428958  
1 1 1 19 17 42 o 0.773616 0.342522  0.20828      1.05088  -0.650424    1.42216  1.24108      1.55968  0.75101  0.355007  1.01905  0.434352  
1 1 1 19 17 43 o 1.03811  0.397704  1.63746      1.1585   0.266056     1.58995  3.18959      1.69148  0.841509 0.391203  1.29427  0.484597  
1 1 1 19 17 44 o 0.87838  0.368753  1.21845      1.09588  1.14573      1.56315  1.28874      1.53682  0.868771 0.397457  0.885671 0.401792  
1 1 1 19 17 45 o 0.58898  0.287491  -0.716612    1.1127   -0.944374    1.60751  -0.507107    1.54173  0.655177 0.324933  0.675163 0.331838  
1 1 1 19 18 0  o 30.5996  0.287566  937.258      17.5953  937.258      17.5953  937.258      17.5953  30.607   0.20327   ?        ?         
1 1 1 19 18 1  o 12.6898  0.0879617 161.053      2.23244  161.136      3.15734  160.97       3.15695  12.6922  0.124381  12.6857  0.12443   
1 1 1 19 18 2  o 12.1581  0.0888791 147.84       2.16121  145.833      2.9486   150.169      3.17697  12.0746  0.1221    12.2526  0.129645  
1 1 1 19 18 3  o 32.2612  0.221523  1041.63      14.2932  1032.44      20.262   1050.74      20.1658  32.1046  0.315562  32.3887  0.311309  
1 1 1 19 18 4  o 14.8023  0.111513  219.151      3.30129  218.323      4.6501   219.993      4.68759  14.7728  0.157388  14.8291  0.158053  
1 1 1 19 18 5  o 23.9599  0.175729  574.347      8.42091  571.518      11.8558  577.227      11.9628  23.895   0.248082  24.0139  0.249081  
1 1 1 19 18 6  o 20.5265  0.151556  421.476      6.2218   418.41       8.74024  424.627      8.85887  20.4481  0.213717  20.5994  0.215027  
1 1 1 19 18 7  f 21.1864  0.158104  449.028      6.6993   446.281      9.54591  451.694      9.40415  21.1173  0.226021  21.2453  0.221323  
1 1 1 19 18 8  o 15.6168  0.108357  243.926      3.38438  243.34       4.7297   244.541      4.84485  15.5967  0.151626  15.635   0.154936  
1 1 1 19 18 9  o 8.68009  0.0698969 75.3495      1.21342  74.6417      1.71854  76.0531      1.71355  8.63889  0.0994656 8.7202   0.0982515 
1 1 1 19 18 10 o 11.7104  0.0841204 137.148      1.97017  136.989      2.78438  137.308      2.7881   11.7029  0.118961  11.7166  0.118981  
1 1 1 19 18 11 f 21.9669  0.147791  482.718      6.49301  485.203      9.22205  480.275      9.14346  22.0192  0.209409  21.9072  0.208687  
1 1 1 19 18 12 o 12.3977  0.0926355 153.727      2.29693  151.456      3.17938  156.207      3.32202  12.3048  0.129192  12.4962  0.132921  
1 1 1 19 18 13 o 3.3449   0.0855099 11.19        0.572044 11.1648      0.811523 11.215       0.806486 3.34087  0.121454  3.34838  0.120429  
1 1 1 19 18 14 o 6.07611  0.0928061 36.9259      1.1278   40.3607      1.78818  34.6572      1.4533   6.35166  0.140765  5.88607  0.123452  
1 1 1 19 18 15 o 16.0644  0.11925   258.147      3.83134  257.948      5.35294  258.357      5.48619  16.0557  0.166699  16.0682  0.170716  
1 1 1 19 18 16 o 8.54893  0.0839203 73.0972      1.43486  72.1397      2.06016  73.9991      1.99959  8.49193  0.121301  8.6008   0.116244  
1 1 1 19 18 17 o 7.27513  0.0818359 52.9376      1.19073  52.9649      1.66719  52.9091      1.70123  7.27634  0.114563  7.27245  0.116964  
1 1 1 19 18 18 f 4.75363  0.0977833 22.604       0.929651 22.6765      1.31842  22.5322      1.31106  4.76052  0.138474  4.74535  0.138142  
1 1 1 19 18 19 o 3.66861  0.125851  13.4673      0.923396 13.274       1.34334  13.6404      1.27138  3.64083  0.184483  3.69107  0.172224  
1 1 1 19 18 20 f 5.10297  0.093868  26.0515      0.958011 26.0351      1.35529  26.0679      1.35438  5.10026  0.132865  5.10347  0.132692  
1 1 1 19 18 21 o 5.34657  0.0927541 28.6001      0.991833 30.3483      1.44756  27.0532      1.3617   5.50617  0.131449  5.19868  0.130966  
1 1 1 19 18 22 o 8.20204  0.0948725 67.3152      1.5563   67.1308      2.19592  67.5012      2.20598  8.1882   0.13409   8.21074  0.134335  
1 1 1 19 18 23 o 6.76718  0.0895477 45.8264      1.21197  44.3959      1.70184  47.2985      1.7264   6.65831  0.127798  6.87269  0.125598  
1 1 1 19 18 24 o 4.56575  0.101418  20.8692      0.9261   21.2109      1.3115   20.5293      1.30791  4.60051  0.142539  4.52585  0.144493  
1 1 1 19 18 25 o 3.55795  0.114607  12.6802      0.815534 13.7419      1.14796  11.5983      1.1588   3.70134  0.155073  3.39934  0.170444  
1 1 1 19 18 26 o 6.49614  0.0868675 42.2474      1.12861  43.2646      1.61068  41.2662      1.5819   6.57015  0.122576  6.41654  0.123267  
1 1 1 19 18 27 o 6.22613  0.0898452 38.8206      1.11877  39.0996      1.5665   38.5302      1.59835  6.24415  0.125437  6.19801  0.128941  
1 1 1 19 18 28 o 9.30904  0.0920677 86.8098      1.71413  88.367       2.41621  85.232       2.43215  9.38444  0.128735  9.21568  0.131957  
1 1 1 19 18 29 o 3.83157  0.126846  14.7383      0.972041 13.9787      1.3738   15.4998      1.37555  3.72348  0.184478  3.92238  0.175346  
1 1 1 19 18 30 o 1.11171  0.322755  1.30126      0.759791 1.78405      1.06838  0.807232     1.08074  1.29681  0.384658  1.01737  0.385759  
1 1 1 19 18 31 o 2.14224  0.212116  4.6589       0.908808 4.54699      1.27377  4.77495      1.29705  2.09966  0.303327  2.15207  0.301349  
1 1 1 19 18 32 o 6.48009  0.0979845 42.1382      1.2699   41.562       1.79637  42.7138      1.79544  6.42385  0.13982   6.51291  0.137837  
1 1 1 19 18 33 o 3.23889  0.148789  10.5857      0.963822 10.645       1.40357  10.5327      1.32585  3.23121  0.217189  3.2172   0.206056  
1 1 1 19 18 34 o 4.9277   0.110191  24.4338      1.08597  24.3848      1.53491  24.4829      1.53669  4.90728  0.156391  4.9172   0.156256  
1 1 1 19 18 35 o 4.33126  0.136312  18.9677      1.18081  17.7574      1.64955  20.2397      1.69105  4.1654   0.198007  4.45109  0.189959  
1 1 1 19 18 36 o 1.11857  0.366147  1.35337      0.943255 -0.625074    1.35183  3.2306       1.31679  0.81302  0.370997  1.67744  0.397979  
1 1 1 19 18 37 o 2.14653  0.233     4.79956      1.00028  4.91837      1.43068  4.68594      1.39908  2.12724  0.336276  2.07603  0.336961  
1 1 1 19 18 38 o 0.98708  0.362789  0.965503     0.940236 2.39936      1.34797  -0.393153    1.31214  1.4116   0.434815  0.818422 0.371274  
1 1 1 19 18 39 o 2.51584  0.201263  6.63472      1.01269  5.98984      1.40475  7.33253      1.46126  2.32464  0.302143  2.58816  0.282297  
1 1 1 19 18 40 o 2.50374  0.213558  6.67072      1.06939  6.6099       1.52213  6.72999      1.50274  2.40727  0.316153  2.43632  0.308403  
1 1 1 19 18 41 o 1.50603  0.352349  2.85715      1.04351  1.79609      1.42931  4.06825      1.52703  1.14895  0.441291  1.70164  0.444034  
1 1 1 19 18 42 o 0.97436  0.390036  1.20262      1.1512   -0.62647     1.64059  2.97684      1.61579  0.790434 0.376974  1.33207  0.476946  
1 1 1 19 18 43 o 1.16461  0.413065  2.19112      1.2094   2.62615      1.60852  1.62537      1.83433  1.18832  0.465655  1.01253  0.449879  
1 1 1 19 18 44 o 0.680084 0.318414  0.0515569    1.08021  0.404554     1.54126  -0.289238    1.51439  0.776609 0.368269  0.712203 0.344689  
1 1 1 19 18 45 o 0.636798 0.307309  -0.111735    1.17395  0.770751     1.72119  -0.879395    1.60531  0.748059 0.363492  0.635046 0.316327  
1 1 1 19 19 0  f 52.147   0.694081  2731.15      72.3596  2731.15      72.3596  2731.15      72.3596  52.2029  0.490166  ?        ?         
1 1 1 19 19 1  o 28.4717  0.26829   811.313      15.2743  811.313      15.2743  811.313      15.2743  28.4775  0.189652  ?        ?         
1 1 1 19 19 2  o 20.209   0.191775  408.633      7.74959  408.633      7.74959  408.633      7.74959  20.2118  0.135573  ?        ?         
1 1 1 19 19 3  o 17.3211  0.169401  300.172      5.86716  300.172      5.86716  300.172      5.86716  17.3233  0.119757  ?        ?         
1 1 1 19 19 4  o 15.8759  0.168204  252.183      5.33945  252.183      5.33945  252.183      5.33945  15.8781  0.118907  ?        ?         
1 1 1 19 19 5  o 26.4626  0.273635  700.875      14.4787  700.875      14.4787  700.875      14.4787  26.4682  0.193424  ?        ?         
1 1 1 19 19 6  o 4.85105  0.0982428 23.5633      0.952279 23.5633      0.952279 23.5633      0.952279 4.85262  0.0694133 ?        ?         
1 1 1 19 19 7  o 22.8937  0.244958  524.533      11.2131  524.533      11.2131  524.533      11.2131  22.8981  0.173155  ?        ?         
1 1 1 19 19 8  o 1.58067  0.153698  2.56911      0.475345 2.56911      0.475345 2.56911      0.475345 1.59214  0.106654  ?        ?         
1 1 1 19 19 9  o 33.4115  0.320662  1117.49      21.4231  1117.49      21.4231  1117.49      21.4231  33.42    0.22666   ?        ?         
1 1 1 19 19 10 o 6.81759  0.0898408 46.5068      1.22452  46.5068      1.22452  46.5068      1.22452  6.81859  0.0635053 ?        ?         
1 1 1 19 19 11 o 2.86737  0.116631  8.26352      0.666334 8.26352      0.666334 8.26352      0.666334 2.87102  0.0822085 ?        ?         
1 1 1 19 19 12 o 10.4805  0.125934  109.906      2.63885  109.906      2.63885  109.906      2.63885  10.4821  0.0890212 ?        ?         
1 1 1 19 19 13 o 25.4634  0.242238  648.96       12.3339  648.96       12.3339  648.96       12.3339  25.469   0.171233  ?        ?         
1 1 1 19 19 14 o 4.27655  0.114103  18.3305      0.974368 18.3305      0.974368 18.3305      0.974368 4.27899  0.080572  ?        ?         
1 1 1 19 19 15 o 18.7137  0.195627  350.477      7.32     350.477      7.32     350.477      7.32     18.7174  0.138285  ?        ?         
1 1 1 19 19 16 o 9.88373  0.124764  97.755       2.46537  97.755       2.46537  97.755       2.46537  9.88542  0.0881903 ?        ?         
1 1 1 19 19 17 o 2.64576  0.206076  7.13098      1.07524  7.13098      1.07524  7.13098      1.07524  2.65835  0.143969  ?        ?         
1 1 1 19 19 18 o 4.74431  0.136256  22.5715      1.29047  22.5715      1.29047  22.5715      1.29047  4.74764  0.0961891 ?        ?         
1 1 1 19 19 19 o 3.27652  0.191098  10.8534      1.24253  10.8534      1.24253  10.8534      1.24253  3.28558  0.134214  ?        ?         
1 1 1 19 19 20 o 5.64828  0.12195   31.9602      1.37617  31.9602      1.37617  31.9602      1.37617  5.65081  0.0861476 ?        ?         
1 1 1 19 19 21 o 0.828126 0.467144  0.934741     1.16639  0.934741     1.16639  0.934741     1.16639  0.795023 0.409652  ?        ?         
1 1 1 19 19 22 o 6.11024  0.137358  37.4179      1.67666  37.4179      1.67666  37.4179      1.67666  6.11362  0.0970172 ?        ?         
1 1 1 19 19 23 o 8.35853  0.123094  69.9612      2.05676  69.9612      2.05676  69.9612      2.05676  8.36141  0.0869893 ?        ?         
1 1 1 19 19 24 o 0.849756 0.461685  1.04508      1.09027  1.04508      1.09027  1.04508      1.09027  0.838505 0.402045  ?        ?         
1 1 1 19 19 25 o 1.08782  0.469144  1.70779      1.04206  1.70779      1.04206  1.70779      1.04206  1.16583  0.361805  ?        ?         
1 1 1 19 19 26 o 10.2187  0.130228  104.612      2.66054  104.612      2.66054  104.612      2.66054  10.2233  0.0920264 ?        ?         
1 1 1 19 19 27 o 0.745091 0.435567  0.702796     1.06259  0.702796     1.06259  0.702796     1.06259  0.698341 0.382161  ?        ?         
1 1 1 19 19 28 o 5.53846  0.130623  30.7815      1.44508  30.7815      1.44508  30.7815      1.44508  5.54331  0.0922249 ?        ?         
1 1 1 19 19 29 o 3.3756   0.19894   11.5703      1.33241  11.5703      1.33241  11.5703      1.33241  3.38873  0.139551  ?        ?         
1 1 1 19 19 30 o 1.82941  0.330291  3.701        1.09058  3.701        1.09058  3.701        1.09058  1.88339  0.210738  ?        ?         
1 1 1 19 19 31 o 4.57826  0.17129   21.1574      1.56344  21.1574      1.56344  21.1574      1.56344  4.589    0.120641  ?        ?         
1 1 1 19 19 32 o 2.3109   0.271137  5.628        1.21399  5.628        1.21399  5.628        1.21399  2.34301  0.185879  ?        ?         
1 1 1 19 19 33 o 0.578921 0.391766  -0.438824    1.28819  -0.438824    1.28819  -0.438824    1.28819  0.470814 0.322258  ?        ?         
1 1 1 19 19 34 f 3.36229  0.200201  11.5459      1.33534  11.5459      1.33534  11.5459      1.33534  3.38027  0.140216  ?        ?         
1 1 1 19 19 35 o 0.576451 0.399248  -0.82745     1.47646  -0.82745     1.47646  -0.82745     1.47646  0.461015 0.322467  ?        ?         
1 1 1 19 19 36 o 3.53729  0.206374  12.8336      1.44864  12.8336      1.44864  12.8336      1.44864  3.56014  0.144402  ?        ?         
1 1 1 19 19 37 o 0.587118 0.397662  -0.385729    1.33128  -0.385729    1.33128  -0.385729    1.33128  0.482686 0.329634  ?        ?         
1 1 1 19 19 38 o 0.493475 0.349044  -1.15131     1.29869  -1.15131     1.29869  -1.15131     1.29869  0.386292 0.27764   ?        ?         
1 1 1 19 19 39 o 1.49731  0.512937  3.2025       1.37739  3.2025       1.37739  3.2025       1.37739  1.65822  0.331097  ?        ?         
1 1 1 19 19 40 o 0.841855 0.506093  1.17194      1.50162  1.17194      1.50162  1.17194      1.50162  0.826488 0.453727  ?        ?         
1 1 1 19 19 41 o 1.2656   0.55036   2.77322      1.43168  2.77322      1.43168  2.77322      1.43168  1.4494   0.404098  ?        ?         
1 1 1 19 19 42 o 0.691939 0.465008  0.348329     1.76156  0.348329     1.76156  0.348329     1.76156  0.625399 0.410869  ?        ?         
1 1 1 19 19 43 o 0.750933 0.488788  1.02556      1.71553  1.02556      1.71553  1.02556      1.71553  0.730982 0.446659  ?        ?         
1 1 1 19 19 44 o 0.702106 0.461949  1.09615      1.58224  1.09615      1.58224  1.09615      1.58224  0.703594 0.429463  ?        ?         
1 1 1 19 19 45 o 0.497467 0.360186  -0.886307    1.70702  -0.886307    1.70702  -0.886307    1.70702  0.426778 0.308485  ?        ?         
1 1 1 20 0  0  o 5.58867  0.108727  31.2733      1.21425  31.2733      1.21425  31.2733      1.21425  5.59046  0.0768243 ?        ?         
1 1 1 20 0  1  o 12.4737  0.133949  155.682      3.34082  155.682      3.34082  155.682      3.34082  12.4755  0.0946906 ?        ?         
1 1 1 20 0  2  o 12.2802  0.129141  150.886      3.17098  150.886      3.17098  150.886      3.17098  12.2819  0.091293  ?        ?         
1 1 1 20 0  3  o 12.0217  0.126726  144.6        3.04616  144.6        3.04616  144.6        3.04616  12.0234  0.0895852 ?        ?         
1 1 1 20 0  4  o 13.137   0.138402  172.682      3.63548  172.682      3.63548  172.682      3.63548  13.1389  0.0978388 ?        ?         
1 1 1 20 0  5  o 0.579399 0.267593  0.491225     0.339181 0.491225     0.339181 0.491225     0.339181 0.610876 0.216307  ?        ?         
1 1 1 20 0  6  o 19.8658  0.188174  394.943      7.47496  394.943      7.47496  394.943      7.47496  19.8695  0.133021  ?        ?         
1 1 1 20 0  7  o 2.76006  0.0880353 7.64196      0.484846 7.64196      0.484846 7.64196      0.484846 2.76224  0.0621288 ?        ?         
1 1 1 20 0  8  o 9.95368  0.119384  99.1382      2.37584  99.1382      2.37584  99.1382      2.37584  9.95525  0.0843899 ?        ?         
1 1 1 20 0  9  o 10.2631  0.106958  105.381      2.1949   105.381      2.1949   105.381      2.1949   10.2643  0.0756125 ?        ?         
1 1 1 20 0  10 o 23.5054  0.243674  553.101      11.4525  553.101      11.4525  553.101      11.4525  23.5117  0.172236  ?        ?         
1 1 1 20 0  11 o 10.7943  0.11077   116.572      2.3908   116.572      2.3908   116.572      2.3908   10.7956  0.0783077 ?        ?         
1 1 1 20 0  12 o 10.6414  0.115737  113.297      2.46254  113.297      2.46254  113.297      2.46254  10.6427  0.081817  ?        ?         
1 1 1 20 0  13 o 3.33433  0.114684  11.1587      0.762738 11.1587      0.762738 11.1587      0.762738 3.33741  0.0809092 ?        ?         
1 1 1 20 0  14 o 2.94787  0.137181  8.74768      0.804794 8.74768      0.804794 8.74768      0.804794 2.9528   0.0965963 ?        ?         
1 1 1 20 0  15 o 29.7342  0.293108  884.944      17.4269  884.944      17.4269  884.944      17.4269  29.741   0.207189  ?        ?         
1 1 1 20 0  16 o 10.0482  0.119021  101.02       2.39113  101.02       2.39113  101.02       2.39113  10.0495  0.0841359 ?        ?         
1 1 1 20 0  17 o 24.8318  0.236228  617.044      11.7296  617.044      11.7296  617.044      11.7296  24.836   0.166993  ?        ?         
1 1 1 20 0  18 o 2.77354  0.160755  7.77147      0.884866 7.77147      0.884866 7.77147      0.884866 2.78072  0.112929  ?        ?         
1 1 1 20 0  19 o 7.44312  0.107169  55.441       1.59459  55.441       1.59459  55.441       1.59459  7.4445   0.0757479 ?        ?         
1 1 1 20 0  20 o 11.8876  0.134715  141.396      3.20194  141.396      3.20194  141.396      3.20194  11.8893  0.0952302 ?        ?         
1 1 1 20 0  21 o 9.96007  0.148298  99.2955      2.95265  99.2955      2.95265  99.2955      2.95265  9.96239  0.104812  ?        ?         
1 1 1 20 0  22 o 17.7748  0.186699  316.206      6.63543  316.206      6.63543  316.206      6.63543  17.7785  0.131972  ?        ?         
1 1 1 20 0  23 o 12.7101  0.164036  161.703      4.16828  161.703      4.16828  161.703      4.16828  12.7132  0.115941  ?        ?         
1 1 1 20 0  24 o 3.60006  0.2035    13.0963      1.45452  13.0963      1.45452  13.0963      1.45452  3.60957  0.142978  ?        ?         
1 1 1 20 0  25 o 4.31246  0.165068  18.693       1.41896  18.693       1.41896  18.693       1.41896  4.31803  0.116373  ?        ?         
1 1 1 20 0  26 o 2.77096  0.265167  7.90488      1.43862  7.90488      1.43862  7.90488      1.43862  2.79191  0.184014  ?        ?         
1 1 1 20 0  27 f 0.994971 0.511232  1.47539      1.28243  1.47539      1.28243  1.47539      1.28243  1.0131   0.437724  ?        ?         
1 1 1 20 0  28 o 10.1858  0.145391  103.937      2.96049  103.937      2.96049  103.937      2.96049  10.1904  0.102737  ?        ?         
1 1 1 20 0  29 f 3.60669  0.198203  13.1606      1.41984  13.1606      1.41984  13.1606      1.41984  3.61732  0.139243  ?        ?         
1 1 1 20 0  30 o 1.09158  0.503838  1.77184      1.20236  1.77184      1.20236  1.77184      1.20236  1.15765  0.40604   ?        ?         
1 1 1 20 0  31 o 3.16235  0.210562  10.1763      1.31819  10.1763      1.31819  10.1763      1.31819  3.17641  0.147446  ?        ?         
1 1 1 20 0  32 f 0.562322 0.380908  -0.473757    1.22192  -0.473757    1.22192  -0.473757    1.22192  0.453326 0.31125   ?        ?         
1 1 1 20 0  33 o 1.11347  0.522058  1.88081      1.29319  1.88081      1.29319  1.88081      1.29319  1.18326  0.423917  ?        ?         
1 1 1 20 0  34 o 0.857424 0.499023  0.992365     1.38492  0.992365     1.38492  0.992365     1.38492  0.814262 0.438949  ?        ?         
1 1 1 20 0  35 o 0.982243 0.521581  1.48659      1.36626  1.48659      1.36626  1.48659      1.36626  0.996086 0.452071  ?        ?         
1 1 1 20 0  36 o 1.67841  0.479612  3.53376      1.39387  3.53376      1.39387  3.53376      1.39387  1.79504  0.299699  ?        ?         
1 1 1 20 0  37 o 1.55156  0.522695  3.24792      1.4459   3.24792      1.4459   3.24792      1.4459   1.68779  0.342188  ?        ?         
1 1 1 20 0  38 o 2.59296  0.306139  7.18463      1.53742  7.18463      1.53742  7.18463      1.53742  2.63842  0.209036  ?        ?         
1 1 1 20 0  39 o 0.583765 0.403112  -0.74625     1.48732  -0.74625     1.48732  -0.74625     1.48732  0.470774 0.327684  ?        ?         
1 1 1 20 0  40 o 3.58463  0.242206  13.345       1.71824  13.345       1.71824  13.345       1.71824  3.61943  0.168676  ?        ?         
1 1 1 20 0  41 o 0.811679 0.493596  0.926354     1.46579  0.926354     1.46579  0.926354     1.46579  0.769164 0.437984  ?        ?         
1 1 1 20 0  42 f 0.808377 0.492293  0.969005     1.46271  0.969005     1.46271  0.969005     1.46271  0.772851 0.438453  ?        ?         
1 1 1 20 0  43 o 1.40328  0.568195  3.25099      1.5527   3.25099      1.5527   3.25099      1.5527   1.60322  0.395951  ?        ?         
1 1 1 20 0  44 o 0.92311  0.534423  1.71859      1.57488  1.71859      1.57488  1.71859      1.57488  0.972078 0.480821  ?        ?         
1 1 1 20 0  45 o 0.459798 0.337285  -2.45751     1.6885   -2.45751     1.6885   -2.45751     1.6885   0.360261 0.266638  ?        ?         
1 1 1 20 0  46 o 0.927845 0.558993  2.50498      1.84095  2.50498      1.84095  2.50498      1.84095  1.07443  0.521633  ?        ?         
1 1 1 20 0  47 o 0.514271 0.375189  -1.40854     1.99516  -1.40854     1.99516  -1.40854     1.99516  0.43626  0.317673  ?        ?         
1 1 1 20 1  0  o 2.66704  0.0712689 7.12881      0.379541 7.12881      0.379541 7.12881      0.379541 2.66852  0.050326  ?        ?         
1 1 1 20 1  1  o 4.8      0.0469738 23.0413      0.450949 22.2761      0.617416 23.9162      0.660208 4.71949  0.0654113 4.89014  0.067504  
1 1 1 20 1  2  f 16.8048  0.124519  282.513      4.18503  280.874      5.81186  284.279      6.0313   16.7528  0.173459  16.8536  0.178932  
1 1 1 20 1  3  o 11.2474  0.0867531 126.528      1.95149  124.501      2.7186   128.683      2.80298  11.1558  0.121846  11.3416  0.123571  
1 1 1 20 1  4  o 7.81896  0.0586936 61.1417      0.917847 60.2922      1.2838   62.03        1.31275  7.7641   0.0826752 7.87519  0.0833471 
1 1 1 20 1  5  o 0.658934 0.179366  0.448687     0.242674 0.708907     0.341125 0.18206      0.345298 0.825297 0.206877  0.553091 0.21595   
1 1 1 20 1  6  o 13.6546  0.0941774 186.492      2.5719   188.788      3.64233  184.208      3.63212  13.7367  0.132576  13.569   0.133839  
1 1 1 20 1  7  o 13.5795  0.10705   184.462      2.90737  184.615      4.1173   184.31       4.10601  13.583   0.151561  13.5718  0.15127   
1 1 1 20 1  8  o 4.45888  0.055715  19.8833      0.496853 20.1381      0.710714 19.6397      0.694866 4.48716  0.0791942 4.43129  0.0784045 
1 1 1 20 1  9  o 3.65869  0.0594682 13.3872      0.435151 12.3069      0.608833 14.5155      0.622177 3.50776  0.0867836 3.80958  0.0816595 
1 1 1 20 1  10 o 7.70402  0.0658112 59.3585      1.01402  59.6298      1.45259  59.1006      1.41619  7.72116  0.0940656 7.68686  0.0921176 
1 1 1 20 1  11 o 13.742   0.0954006 188.884      2.62199  186.628      3.67087  191.234      3.74639  13.6581  0.134384  13.8256  0.135487  
1 1 1 20 1  12 o 8.73642  0.0704562 76.3339      1.23107  76.8889      1.74731  75.7867      1.73475  8.7676   0.0996456 8.70454  0.0996465 
1 1 1 20 1  13 o 28.2316  0.194444  797.611      10.9789  795.867      15.3186  799.453      15.7432  28.1904  0.271699  28.2528  0.278613  
1 1 1 20 1  14 o 13.3624  0.102693  178.584      2.74444  177.55       3.90746  179.591      3.8555   13.3224  0.14665   13.3988  0.143875  
1 1 1 20 1  15 o 10.5407  0.0842267 111.119      1.77563  110.984      2.49949  111.257      2.5229   10.5338  0.118642  10.5467  0.119606  
1 1 1 20 1  16 o 7.82051  0.0739598 61.1654      1.15681  61.8968      1.63641  60.4348      1.63553  7.86681  0.104007  7.77333  0.105201  
1 1 1 20 1  17 f 18.6074  0.130726  346.325      4.86495  350.346      6.95473  342.471      6.80778  18.7125  0.185831  18.5011  0.183983  
1 1 1 20 1  18 o 5.17644  0.0747036 26.7982      0.773397 26.9485      1.09332  26.6475      1.09417  5.19068  0.105316  5.1616   0.105992  
1 1 1 20 1  19 o 13.4753  0.0993627 181.621      2.67789  182.617      3.80111  180.641      3.77326  13.5108  0.140669  13.4375  0.1404    
1 1 1 20 1  20 o 18.3404  0.128361  336.49       4.70837  335.999      6.6434   336.986      6.674    18.3236  0.181279  18.3505  0.181848  
1 1 1 20 1  21 o 14.037   0.1236    197.114      3.46997  192.748      4.81523  201.831      5.00481  13.8781  0.173483  14.2012  0.176211  
1 1 1 20 1  22 o 3.52178  0.129343  12.409       0.911036 11.5996      1.29097  13.212       1.28584  3.40402  0.189625  3.63317  0.176959  
1 1 1 20 1  23 o 1.72104  0.307241  3.06269      1.01946  3.203        1.46487  2.93091      1.41967  1.74917  0.422803  1.67415  0.423473  
1 1 1 20 1  24 o 7.23555  0.0936647 52.3747      1.35543  51.9483      1.88585  52.8303      1.94947  7.20462  0.130878  7.26537  0.134162  
1 1 1 20 1  25 o 4.54826  0.112129  20.7016      1.01998  20.7379      1.43729  20.6648      1.44772  4.55063  0.157922  4.54254  0.159351  
1 1 1 20 1  26 o 5.04167  0.111905  25.4409      1.12838  25.6734      1.56395  25.1886      1.62962  5.06257  0.154462  5.01409  0.162504  
1 1 1 20 1  27 o 4.58844  0.11471   21.0798      1.05268  20.2701      1.46839  21.9359      1.50991  4.49662  0.163277  4.67788  0.161389  
1 1 1 20 1  28 o 2.44045  0.205486  5.98446      1.00295  6.99207      1.44681  5.05229      1.39159  2.63289  0.274756  2.23536  0.311267  
1 1 1 20 1  29 o 6.12659  0.0990998 37.587       1.21429  36.6311      1.7169   38.5437      1.71762  6.04375  0.142039  6.19995  0.138519  
1 1 1 20 1  30 o 1.01598  0.347655  0.971016     0.850385 2.45007      1.2047   -0.497899    1.20056  1.51703  0.393715  0.806187 0.360878  
1 1 1 20 1  31 o 0.654531 0.298102  -0.536442    0.863716 -0.75197     1.23663  -0.331159    1.20688  0.78225  0.356385  0.833449 0.368287  
1 1 1 20 1  32 o 2.73107  0.176187  7.51424      0.96236  5.61844      1.34447  9.50613      1.37812  2.34738  0.286377  3.0647   0.224838  
1 1 1 20 1  33 f 1.95823  0.242424  3.90047      0.949445 4.21797      1.32297  3.56328      1.36338  2.02263  0.327042  1.8165   0.386797  
1 1 1 20 1  34 o 1.25146  0.365549  1.6747       0.971743 2.55684      1.37272  0.788619     1.37578  1.52669  0.430837  1.08344  0.428811  
1 1 1 20 1  35 f 3.50394  0.153538  12.3874      1.07598  12.4498      1.50628  12.3223      1.53753  3.49768  0.215326  3.47811  0.221029  
1 1 1 20 1  36 o 0.821531 0.343934  0.200616     0.948977 -0.675397    1.31941  1.13947      1.36591  0.809016 0.368456  1.14601  0.433929  
1 1 1 20 1  37 o 0.67611  0.312365  -0.697455    0.993648 -0.933143    1.35326  -0.421729    1.46369  0.782704 0.362726  0.884441 0.397122  
1 1 1 20 1  38 o 1.75102  0.323886  3.35383      1.09156  4.56885      1.50054  1.98821      1.59082  2.01822  0.385543  1.34809  0.474188  
1 1 1 20 1  39 f 1.36659  0.383242  2.14216      1.08952  2.1153       1.61807  2.16444      1.47366  1.36238  0.478328  1.36884  0.457657  
1 1 1 20 1  40 o 1.02546  0.385557  1.01476      1.07293  1.41158      1.49198  0.589743     1.54408  1.17942  0.451478  1.0332   0.435914  
1 1 1 20 1  41 o 0.944805 0.371614  0.793679     1.02728  1.96071      1.46347  -0.339901    1.44234  1.27183  0.454055  0.850963 0.386938  
1 1 1 20 1  42 o 1.69005  0.324839  3.32126      1.05881  4.93365      1.53858  1.87068      1.45934  2.00263  0.398281  1.2249   0.4518    
1 1 1 20 1  43 o 0.878253 0.365897  0.633829     1.06602  -0.165605    1.52941  1.3892       1.48666  0.851122 0.390951  1.07867  0.438557  
1 1 1 20 1  44 o 0.715739 0.331652  -0.310081    1.13087  -2.5844      1.5202   2.50793      1.69218  0.626462 0.311461  1.2414   0.479416  
1 1 1 20 1  45 o 0.861505 0.375462  0.769498     1.21417  1.22657      1.69917  0.292617     1.73559  0.963501 0.430362  0.860036 0.402836  
1 1 1 20 1  46 o 1.09989  0.423772  2.45973      1.32054  2.01939      1.81992  2.94938      1.91908  0.955276 0.434443  1.05795  0.466346  
1 1 1 20 1  47 o 0.604188 0.301099  -1.19636     1.46303  -0.612274    2.03233  -1.82464     2.10781  0.690878 0.345439  0.647838 0.327662  
1 1 1 20 2  0  o 13.8748  0.144805  192.624      4.01729  192.624      4.01729  192.624      4.01729  13.8768  0.102365  ?        ?         
1 1 1 20 2  1  o 7.82067  0.0617077 61.1689      0.965192 60.4792      1.35322  61.883       1.37706  7.77608  0.0870119 7.86579  0.087535  
1 1 1 20 2  2  o 19.5328  0.142356  381.73       5.56121  382.934      7.88459  380.538      7.84504  19.5584  0.201566  19.4971  0.201185  
1 1 1 20 2  3  o 13.4583  0.0962504 181.17       2.59073  183.523      3.58597  178.6        3.74703  13.5439  0.132383  13.3607  0.140226  
1 1 1 20 2  4  o 12.4915  0.0890068 156.071      2.22366  154.348      3.04655  158.036      3.25307  12.4212  0.122635  12.5685  0.129414  
1 1 1 20 2  5  o 6.9203   0.0538291 47.8943      0.745028 49.2846      1.07613  46.6145      1.03248  7.01974  0.0766504 6.82696  0.0756178 
1 1 1 20 2  6  o 20.8794  0.152763  436.227      6.37918  435.471      9.01646  436.985      9.0266   20.8546  0.216175  20.8908  0.216042  
1 1 1 20 2  7  o 13.872   0.110795  192.498      3.07389  192.366      4.41176  192.622      4.28528  13.8647  0.1591    13.8742  0.154433  
1 1 1 20 2  8  o 5.76453  0.0581219 33.2329      0.670091 33.008       0.960068 33.4465      0.935705 5.74471  0.0835611 5.78278  0.0809045 
1 1 1 20 2  9  o 8.09735  0.0655666 65.5745      1.06183  65.5007      1.47288  65.6543      1.53219  8.09237  0.0910042 8.10178  0.0945588 
1 1 1 20 2  10 o 22.3654  0.16011   500.532      7.16186  498.219      10.3325  502.672      9.93597  22.3057  0.23161   22.4065  0.221721  
1 1 1 20 2  11 o 17.7331  0.125607  314.58       4.4548   312.365      6.40194  316.659      6.20286  17.6668  0.181185  17.7884  0.174352  
1 1 1 20 2  12 o 10.2918  0.0773089 105.936      1.5913   107.232      2.24712  104.632      2.25377  10.3539  0.108516  10.2275  0.110181  
1 1 1 20 2  13 o 6.14144  0.0662365 37.7204      0.813574 38.8285      1.1734   36.6944      1.12902  6.23073  0.0941623 6.05709  0.0931981 
1 1 1 20 2  14 o 15.7785  0.113978  249.014      3.59682  251.846      5.13383  246.283      5.04078  15.8663  0.161784  15.6901  0.160636  
1 1 1 20 2  15 o 10.0241  0.0818272 100.492      1.64048  102.019      2.38861  99.1282      2.25696  10.0994  0.118255  9.95536  0.113354  
1 1 1 20 2  16 o 19.0589  0.134501  363.341      5.12688  361.334      7.13056  365.489      7.37671  19.0037  0.18761   19.1123  0.192983  
1 1 1 20 2  17 o 17.661   0.122257  311.983      4.31834  312.364      6.11615  311.604      6.09801  17.6696  0.17307   17.6481  0.172767  
1 1 1 20 2  18 o 18.2311  0.126076  332.471      4.59702  338.328      6.59821  326.946      6.40828  18.3882  0.179415  18.0763  0.177256  
1 1 1 20 2  19 o 22.0438  0.150286  486.157      6.62574  488.735      9.40986  483.622      9.33106  22.0969  0.212923  21.9811  0.212252  
1 1 1 20 2  20 o 25.9651  0.181219  674.678      9.41077  675.416      13.1831  673.911      13.4383  25.9701  0.253813  25.9404  0.259022  
1 1 1 20 2  21 o 10.0969  0.103105  101.976      2.0821   99.8875      2.9017   104.192      2.98932  9.99166  0.145206  10.2046  0.146469  
1 1 1 20 2  22 o 4.40906  0.110091  19.4469      0.970794 18.8986      1.3677   20.0036      1.37818  4.34564  0.157365  4.47094  0.154126  
1 1 1 20 2  23 o 10.8572  0.105608  117.928      2.29322  121.891      3.38626  114.572      3.11669  11.0355  0.153425  10.6996  0.145646  
1 1 1 20 2  24 o 13.4127  0.107473  180          2.883    180.774      4.09056  179.236      4.06393  13.4377  0.152205  13.3804  0.151861  
1 1 1 20 2  25 o 4.30781  0.11816   18.5725      1.01802  18.8601      1.42607  18.2736      1.45373  4.33936  0.164318  4.2711   0.170182  
1 1 1 20 2  26 o 4.22244  0.122939  17.8487      1.0382   17.1162      1.46618  18.5853      1.47031  4.13237  0.177402  4.30644  0.170711  
1 1 1 20 2  27 o 3.87544  0.129332  15.0437      1.00244  14.134       1.39741  16.0082      1.43882  3.75318  0.186164  3.99471  0.180091  
1 1 1 20 2  28 o 4.44867  0.120773  19.8245      1.07456  19.3294      1.52788  20.3091      1.51157  4.38871  0.174069  4.4991   0.167986  
1 1 1 20 2  29 o 3.73779  0.131489  14.0058      0.982959 13.9778      1.38848  14.0339      1.39175  3.72937  0.186155  3.73684  0.186221  
1 1 1 20 2  30 o 3.09881  0.145508  9.63805      0.901805 9.97535      1.27516  9.30056      1.27553  3.14707  0.202595  3.03796  0.209931  
1 1 1 20 2  31 o 2.372    0.184897  5.66587      0.877153 6.46177      1.24963  4.89286      1.23153  2.52628  0.247327  2.19442  0.280605  
1 1 1 20 2  32 o 3.17936  0.156186  10.169       0.993142 9.49055      1.4016   10.853       1.40745  3.06105  0.228941  3.2759   0.214818  
1 1 1 20 2  33 o 4.21845  0.125993  17.8791      1.06299  18.0003      1.47602  17.7486      1.53215  4.2237   0.174731  4.19232  0.182733  
1 1 1 20 2  34 o 3.70165  0.149189  13.8104      1.10449  12.7782      1.5599   14.8482      1.56408  3.54414  0.220067  3.82489  0.20446   
1 1 1 20 2  35 o 1.97124  0.253242  3.98226      0.998403 3.62685      1.41068  4.33896      1.41323  1.81716  0.399012  2.00427  0.366156  
1 1 1 20 2  36 o 1.77236  0.273517  3.25515      0.969538 3.409        1.36297  3.09756      1.37945  1.74983  0.398281  1.66095  0.415812  
1 1 1 20 2  37 o 1.63403  0.33112   2.92263      1.04437  3.10348      1.4412   2.72265      1.51552  1.64543  0.432307  1.53925  0.458453  
1 1 1 20 2  38 o 1.40766  0.370254  2.23309      1.0564   2.26771      1.52618  2.20124      1.46373  1.41086  0.465741  1.39223  0.456112  
1 1 1 20 2  39 o 1.2944   0.382636  1.9088       1.05858  3.85024      1.53103  0.130601     1.46525  1.8096   0.429006  0.950665 0.413375  
1 1 1 20 2  40 o 0.989763 0.383804  0.865231     1.08684  1.42343      1.4773   0.206678     1.60461  1.17985  0.449945  0.986616 0.430793  
1 1 1 20 2  41 o 1.18971  0.384207  1.67711      1.03963  -0.466506    1.47209  3.81012      1.46844  0.841585 0.385306  1.75269  0.423107  
1 1 1 20 2  42 o 2.0165   0.263229  4.4433       1.0616   3.88162      1.52825  4.96708      1.47578  1.72661  0.440942  2.02501  0.37843   
1 1 1 20 2  43 o 1.06393  0.386791  1.41962      1.06624  1.02172      1.4906   1.83652      1.52579  1.00914  0.427153  1.16242  0.453926  
1 1 1 20 2  44 o 0.858784 0.370662  0.598577     1.16169  1.01673      1.59899  0.131143     1.69059  0.978939 0.428715  0.878785 0.406552  
1 1 1 20 2  45 f 0.725924 0.338463  -0.138269    1.20131  -0.168147    1.70707  -0.108956    1.69087  0.811222 0.386049  0.814435 0.385981  
1 1 1 20 2  46 o 0.961658 0.402932  1.79678      1.30423  1.66551      1.8027   1.94095      1.88928  0.910427 0.420664  0.935618 0.431671  
1 1 1 20 2  47 o 0.605347 0.300814  -0.889297    1.40927  -2.17306     1.96814  0.46144      2.01883  0.610436 0.310391  0.725932 0.360641  
1 1 1 20 3  0  o 7.00989  0.0771317 49.1603      1.08108  49.1603      1.08108  49.1603      1.08108  7.01067  0.0545269 ?        ?         
1 1 1 20 3  1  o 16.4776  0.11504   271.607      3.79116  270.977      5.35185  272.241      5.37124  16.4557  0.162614  16.494   0.162824  
1 1 1 20 3  2  o 13.3245  0.0930396 177.582      2.47941  175.619      3.43376  179.72       3.58388  13.2492  0.129584  13.4028  0.133699  
1 1 1 20 3  3  o 9.48304  0.0674496 89.9389      1.27925  90.5802      1.80061  89.2852      1.81779  9.51623  0.0946072 9.44792  0.0962006 
1 1 1 20 3  4  o 18.2142  0.123061  331.891      4.48292  329.609      6.23474  334.334      6.45036  18.1479  0.171776  18.2771  0.17646   
1 1 1 20 3  5  o 9.14724  0.0715379 83.6837      1.30875  84.6895      1.82979  82.6302      1.87266  9.20145  0.0994293 9.0888   0.10302   
1 1 1 20 3  6  o 2.91187  0.0574461 8.47979      0.334552 8.83977      0.478885 8.13661      0.467574 2.97291  0.0805415 2.85221  0.0819669 
1 1 1 20 3  7  o 9.48383  0.0749692 89.9571      1.42199  88.1377      1.98183  91.8878      2.04149  9.3867   0.105566  9.58429  0.106502  
1 1 1 20 3  8  o 19.3393  0.138841  374.203      5.3702   378.05       7.66727  370.498      7.52399  19.4334  0.197271  19.2384  0.195546  
1 1 1 20 3  9  o 7.39596  0.0635644 54.7058      0.940239 54.9501      1.32426  54.4575      1.33521  7.41207  0.0893312 7.37875  0.0904764 
1 1 1 20 3  10 o 14.3356  0.103145  205.562      2.95728  207.759      4.31656  203.62       4.05971  14.4098  0.149778  14.2659  0.142287  
1 1 1 20 3  11 o 12.9297  0.0928727 167.211      2.40163  169.349      3.43129  165.157      3.36258  13.0107  0.131864  12.8487  0.130853  
1 1 1 20 3  12 o 5.26845  0.0607619 27.7587      0.640242 26.9756      0.899143 28.5642      0.911868 5.19339  0.0865661 5.34413  0.085315  
1 1 1 20 3  13 o 8.1756   0.0730739 66.8468      1.19485  67.0287      1.68769  66.664       1.69185  8.18632  0.10308   8.16401  0.103616  
1 1 1 20 3  14 o 21.3886  0.147557  457.624      6.31205  457.587      9.12568  457.658      8.73998  21.3837  0.21338   21.386   0.204339  
1 1 1 20 3  15 o 8.57881  0.0789249 73.6027      1.35416  70.5788      1.85278  77.0705      1.98411  8.40035  0.11028   8.77814  0.113014  
1 1 1 20 3  16 o 6.7683   0.0691742 45.8131      0.936383 45.2029      1.26927  46.5418      1.38704  6.72286  0.0943999 6.82162  0.101665  
1 1 1 20 3  17 o 4.56617  0.0780511 20.8519      0.712789 21.3992      0.993262 20.2709      1.02349  4.62548  0.107368  4.50184  0.113675  
1 1 1 20 3  18 o 8.09111  0.0750914 65.4731      1.21514  66.0665      1.7214   64.8838      1.71556  8.12725  0.105903  8.05417  0.106501  
1 1 1 20 3  19 o 11.0292  0.0912853 121.665      2.01361  121.301      2.86503  122.02       2.83063  11.0117  0.13009   11.0443  0.128149  
1 1 1 20 3  20 o 10.2671  0.092806  105.435      1.90571  107.919      2.78706  103.254      2.61163  10.3862  0.134171  10.1595  0.128532  
1 1 1 20 3  21 o 10.7737  0.0980419 116.103      2.11255  116.896      2.96049  115.28       3.01547  10.8091  0.136944  10.734   0.140463  
1 1 1 20 3  22 o 17.0157  0.13716   289.7        4.66775  292.732      6.65343  286.763      6.55017  17.0994  0.194551  16.9243  0.193514  
1 1 1 20 3  23 o 5.12383  0.108116  26.2656      1.10794  27.3917      1.56941  25.1469      1.56432  5.23138  0.15      5.01226  0.156049  
1 1 1 20 3  24 f 2.10084  0.21979   4.42417      0.923487 2.9088       1.29145  6.00986      1.32107  1.66595  0.393413  2.44706  0.269931  
1 1 1 20 3  25 o 4.68679  0.113298  21.9832      1.06201  20.1214      1.45926  24.0797      1.54853  4.48206  0.162789  4.90337  0.157905  
1 1 1 20 3  26 o 2.6471   0.178588  7.02406      0.945481 6.11139      1.30313  8.03854      1.3739   2.46554  0.264269  2.82886  0.242836  
1 1 1 20 3  27 o 5.47188  0.105641  29.9758      1.15611  29.3781      1.62586  30.5871      1.64427  5.41395  0.150155  5.52433  0.148821  
1 1 1 20 3  28 o 3.13856  0.155037  9.87914      0.973188 8.79399      1.37657  10.9634      1.37602  2.95577  0.232861  3.30244  0.208335  
1 1 1 20 3  29 o 3.64344  0.133818  13.3095      0.975115 14.2796      1.37602  12.3309      1.38204  3.76958  0.182516  3.50148  0.197351  
1 1 1 20 3  30 o 3.43885  0.133825  11.8635      0.920409 11.6454      1.30167  12.0815      1.30164  3.40139  0.191344  3.46491  0.187831  
1 1 1 20 3  31 o 3.21293  0.141661  10.3661      0.910296 8.16594      1.26922  12.6966      1.30629  2.84299  0.223219  3.55082  0.183942  
1 1 1 20 3  32 o 4.94115  0.11506   24.4967      1.13705  25.669       1.61952  23.357       1.5968   5.05013  0.160344  4.81627  0.165771  
1 1 1 20 3  33 o 3.12724  0.158255  9.85356      0.989804 11.2578      1.38378  8.38235      1.41637  3.33372  0.207544  2.86903  0.246838  
1 1 1 20 3  34 o 2.51947  0.202677  6.44197      1.02128  6.52648      1.43031  6.35406      1.45872  2.51809  0.284008  2.48211  0.293847  
1 1 1 20 3  35 o 1.59126  0.322248  2.72102      0.989757 1.67747      1.4165   3.71657      1.38353  1.28934  0.448032  1.84305  0.387588  
1 1 1 20 3  36 o 3.25289  0.159249  10.7148      1.03604  11.3277      1.44197  10.0609      1.48954  3.3273   0.216689  3.12839  0.238068  
1 1 1 20 3  37 o 3.00905  0.180557  9.22407      1.08661  8.91382      1.51948  9.5488       1.55452  2.92931  0.259358  3.0332   0.256251  
1 1 1 20 3  38 o 1.16765  0.392856  1.4616       1.08589  -0.137932    1.56048  2.96334      1.51202  0.94555  0.418177  1.58962  0.453319  
1 1 1 20 3  39 o 1.03446  0.384836  1.02246      1.06334  -0.398119    1.51446  2.40367      1.49334  0.888438 0.401167  1.42865  0.460383  
1 1 1 20 3  40 o 0.642868 0.305092  -1.08174     1.05969  -1.99198     1.44384  -0.0189241   1.56017  0.692375 0.335348  0.942944 0.417438  
1 1 1 20 3  41 o 0.76292  0.340176  -0.131884    1.05751  0.645325     1.45609  -0.99944     1.53839  0.997447 0.422191  0.798371 0.374902  
1 1 1 20 3  42 o 1.32775  0.372647  2.17417      1.02971  2.98241      1.42912  1.30155      1.48495  1.50116  0.444803  1.10035  0.441934  
1 1 1 20 3  43 f 0.939938 0.374684  0.944293     1.0573   0.570364     1.46976  1.34534      1.52212  0.931719 0.409509  1.06491  0.440032  
1 1 1 20 3  44 o 0.890601 0.375452  0.805218     1.14396  0.641943     1.60402  0.974229     1.63195  0.921523 0.414656  0.969434 0.428333  
1 1 1 20 3  45 o 1.09016  0.410384  1.90743      1.2163   3.16683      1.7793   0.802725     1.66644  1.25566  0.49022   0.903665 0.41224   
1 1 1 20 3  46 o 0.858722 0.379842  1.21866      1.28823  -0.0493328   1.74797  2.7262       1.90594  0.752283 0.365784  1.01314  0.454079  
1 1 1 20 3  47 o 0.722465 0.346362  0.647867     1.43165  0.432055     1.98718  0.880762     2.06433  0.722484 0.358773  0.747809 0.370227  
1 1 1 20 4  0  o 1.24797  0.136676  1.61313      0.331796 1.61313      0.331796 1.61313      0.331796 1.25952  0.094354  ?        ?         
1 1 1 20 4  1  o 6.73675  0.0522334 45.3871      0.703767 44.8148      0.967423 46.0303      1.02568  6.69392  0.0722613 6.78405  0.0755953 
1 1 1 20 4  2  o 12.4906  0.0850754 156.044      2.12528  157.982      3.03704  154.185      2.97511  12.5666  0.120837  12.4147  0.119822  
1 1 1 20 4  3  o 18.0951  0.120902  327.561      4.37548  331.279      6.25564  324.001      6.12225  18.1938  0.171917  17.993   0.170129  
1 1 1 20 4  4  o 1.97295  0.063965  3.89296      0.252399 3.97572      0.358051 3.81122      0.355852 1.9937   0.0897957 1.95201  0.0911499 
1 1 1 20 4  5  o 13.5672  0.101047  184.121      2.74185  183.107      3.85805  185.157      3.89738  13.5279  0.142596  13.6034  0.14325   
1 1 1 20 4  6  o 11.4161  0.0904687 130.358      2.06561  131.458      2.98345  129.346      2.86272  11.4628  0.130136  11.3705  0.125883  
1 1 1 20 4  7  o 2.08755  0.0783673 4.35857      0.32719  4.67615      0.465866 4.04944      0.459631 2.1621   0.107735  2.01196  0.114225  
1 1 1 20 4  8  o 17.2037  0.124134  296.088      4.27113  296.175      6.04431  296.001      6.03628  17.2027  0.175679  17.1977  0.175497  
1 1 1 20 4  9  o 4.64416  0.0577626 21.57        0.536518 22.1948      0.784884 21.022       0.735064 4.71072  0.0833082 4.58461  0.0801666 
1 1 1 20 4  10 o 21.0787  0.149542  444.553      6.30431  446.919      9.06796  442.339      8.77075  21.1286  0.21459   21.0207  0.208622  
1 1 1 20 4  11 o 8.82802  0.0720358 77.9433      1.27187  76.7868      1.8193   79.0488      1.77876  8.76169  0.103822  8.88989  0.100044  
1 1 1 20 4  12 o 6.69021  0.0629806 44.7624      0.842706 44.4653      1.16671  45.0864      1.21851  6.66772  0.0874895 6.71408  0.0907427 
1 1 1 20 4  13 o 4.91591  0.0682299 24.1681      0.670824 22.2059      0.918192 26.4144      0.982441 4.71193  0.0974327 5.13909  0.0955851 
1 1 1 20 4  14 o 17.2174  0.120722  296.504      4.15705  295.759      5.9962   297.194      5.76834  17.1937  0.174372  17.2357  0.167337  
1 1 1 20 4  15 o 26.1361  0.185233  683.439      9.68249  679.227      13.7723  687.556      13.6153  26.0483  0.264361  26.208   0.259755  
1 1 1 20 4  16 o 18.4642  0.129354  341.012      4.77684  337.644      6.69196  344.511      6.82083  18.3704  0.18214   18.5562  0.183789  
1 1 1 20 4  17 o 12.0019  0.0916736 144.065      2.20051  143.644      3.09623  144.496      3.12799  11.9834  0.129188  12.0189  0.130128  
1 1 1 20 4  18 o 29.8577  0.199874  892.195      11.9356  892.607      16.8856  891.784      16.8733  29.8526  0.282816  29.8388  0.28274   
1 1 1 20 4  19 o 13.1643  0.0984271 173.335      2.59145  173.745      3.66146  172.923      3.66828  13.1785  0.138918  13.1473  0.139507  
1 1 1 20 4  20 o 3.57811  0.121467  12.8073      0.869244 12.2431      1.20998  13.409       1.24957  3.49777  0.172964  3.66058  0.170679  
1 1 1 20 4  21 o 13.2022  0.105839  174.35       2.79459  174.423      3.95422  174.277      3.95008  13.2029  0.149748  13.1974  0.149654  
1 1 1 20 4  22 f 10.4957  0.106025  110.199      2.22561  108.684      3.2518   111.534      3.05261  10.4211  0.15602   10.5575  0.144571  
1 1 1 20 4  23 o 9.54636  0.0932034 91.1657      1.77951  92.1911      2.48852  90.0926      2.54566  9.59824  0.129634  9.48814  0.134149  
1 1 1 20 4  24 o 3.68506  0.130182  13.5915      0.959453 14.1151      1.35599  13.0666      1.35775  3.75385  0.180614  3.61149  0.187977  
1 1 1 20 4  25 o 7.53701  0.0926674 56.8371      1.39687  57.46        1.9709   56.2084      1.98007  7.57618  0.130072  7.49308  0.132127  
1 1 1 20 4  26 o 4.56214  0.114174  20.8345      1.04176  20.4521      1.43912  21.2554      1.50997  4.51785  0.15927   4.60543  0.163933  
1 1 1 20 4  27 o 8.20489  0.0988263 67.3893      1.62172  64.8395      2.27304  70.0327      2.31443  8.04393  0.141289  8.36021  0.138419  
1 1 1 20 4  28 o 3.18291  0.150287  10.1595      0.956698 10.0377      1.37022  10.2753      1.33637  3.15895  0.216879  3.19678  0.209018  
1 1 1 20 4  29 o 3.7965   0.131889  14.4509      1.00143  12.8889      1.36533  16.2698      1.4733   3.58028  0.190674  4.02339  0.183091  
1 1 1 20 4  30 o 2.68713  0.166898  7.25746      0.89695  7.02988      1.23813  7.50881      1.30117  2.63809  0.234664  2.72601  0.238659  
1 1 1 20 4  31 o 2.20785  0.199905  4.91583      0.882721 5.37478      1.23928  4.44318      1.25764  2.3009   0.269302  2.0881   0.301145  
1 1 1 20 4  32 o 0.655691 0.300994  -0.638917    0.904989 0.317548     1.2977   -1.5445      1.26271  0.9755   0.404886  0.694953 0.331268  
1 1 1 20 4  33 o 3.29628  0.153414  10.9441      1.01139  9.35221      1.36914  12.8561      1.50052  3.03443  0.2256    3.56126  0.210673  
1 1 1 20 4  34 o 1.94885  0.254993  3.88698      0.993886 3.58626      1.36649  4.22473      1.4482   1.81328  0.388065  1.97558  0.380089  
1 1 1 20 4  35 o 2.29949  0.224636  5.39362      1.0331   6.25638      1.46477  4.53965      1.45729  2.45819  0.297937  2.04859  0.369158  
1 1 1 20 4  36 o 1.37041  0.348844  2.06629      0.95883  0.293284     1.32629  4.00749      1.38778  0.960138 0.404493  1.90789  0.377114  
1 1 1 20 4  37 o 2.07612  0.257387  4.47611      1.06873  3.62967      1.47505  5.41149      1.55061  1.78435  0.419857  2.24979  0.344612  
1 1 1 20 4  38 o 0.998501 0.385597  0.831836     1.09466  2.10151      1.57643  -0.350454    1.52121  1.36971  0.472965  0.903608 0.40531   
1 1 1 20 4  39 o 1.72125  0.321279  3.2758       1.06489  3.86237      1.52494  2.71752      1.48771  1.81257  0.427156  1.51016  0.455131  
1 1 1 20 4  40 o 0.958265 0.378833  0.747048     1.07264  0.488348     1.44755  1.06207      1.59737  0.993136 0.420687  1.12431  0.455537  
1 1 1 20 4  41 o 0.825091 0.354788  0.227008     1.05679  0.938131     1.42888  -0.631682    1.57015  1.04333  0.428017  0.8457   0.391458  
1 1 1 20 4  42 o 0.950673 0.37386   0.889151     1.03957  0.264201     1.43759  1.57416      1.50509  0.91233  0.4027    1.15187  0.450626  
1 1 1 20 4  43 f 0.734221 0.333703  -0.145865    1.07009  2.06853      1.48894  -2.51154     1.53896  1.20628  0.454065  0.64624  0.319874  
1 1 1 20 4  44 o 0.670139 0.317864  -0.657422    1.1489   -0.489852    1.61518  -0.829042    1.63458  0.793968 0.376735  0.767832 0.368591  
1 1 1 20 4  45 o 0.860995 0.375012  0.811399     1.20974  1.39356      1.74341  0.270814     1.68     0.97512  0.43573   0.843092 0.395155  
1 1 1 20 4  46 f 0.790378 0.361847  0.758961     1.29815  0.570997     1.77009  0.977708     1.90954  0.798151 0.383247  0.836281 0.400707  
1 1 1 20 5  0  o 7.67303  0.081193  58.9004      1.24568  58.9004      1.24568  58.9004      1.24568  7.67385  0.0573988 ?        ?         
1 1 1 20 5  1  f 4.95305  0.044923  24.5341      0.445012 24.7322      0.639566 24.3481      0.619594 4.97287  0.0643056 4.93412  0.0627867 
1 1 1 20 5  2  o 4.04493  0.0443844 16.3624      0.359064 16.5322      0.517173 16.2043      0.498906 4.06575  0.0636011 4.02525  0.0619721 
1 1 1 20 5  3  o 8.25489  0.0623183 68.1504      1.02886  67.9037      1.45125  68.3998      1.45884  8.2395   0.0880667 8.26954  0.0882056 
1 1 1 20 5  4  o 12.5942  0.0940447 158.651      2.36883  159.636      3.37015  157.69       3.33027  12.6316  0.133401  12.5544  0.132633  
1 1 1 20 5  5  o 12.5269  0.0938809 156.963      2.35208  156.975      3.3283   156.95       3.32439  12.5259  0.132857  12.5249  0.132711  
1 1 1 20 5  6  o 16.4934  0.117437  272.135      3.87386  273.78       5.45021  270.455      5.50718  16.5401  0.164757  16.4391  0.167502  
1 1 1 20 5  7  o 14.5782  0.10763   212.588      3.13811  214.037      4.41424  211.108      4.46206  14.6256  0.150909  14.525   0.153599  
1 1 1 20 5  8  o 22.9961  0.166442  529.195      7.65503  533.19       10.5272  524.712      11.1515  23.0754  0.228103  22.8891  0.243599  
1 1 1 20 5  9  o 1.32804  0.142017  1.76458      0.377209 1.81281      0.53536  1.71702      0.531567 1.34575  0.198908  1.30968  0.202938  
1 1 1 20 5  10 o 24.113   0.170419  581.837      8.21862  585.882      11.5588  577.701      11.688   24.1884  0.238933  24.0183  0.243316  
1 1 1 20 5  11 o 8.14706  0.0656456 66.3809      1.06964  67.1579      1.52322  65.6251      1.50239  8.19419  0.0929452 8.10015  0.0927382 
1 1 1 20 5  12 o 22.0498  0.156561  486.415      6.90429  493.548      10.0154  479.955      9.53093  22.2052  0.225518  21.8981  0.21762   
1 1 1 20 5  13 o 18.4892  0.127117  341.94       4.7006   343.677      6.74557  340.301      6.55388  18.5335  0.181983  18.4425  0.177684  
1 1 1 20 5  14 o 3.4926   0.0801166 12.1994      0.559631 11.3543      0.792297 13.0409      0.790581 3.36926  0.117577  3.6109   0.109472  
1 1 1 20 5  15 o 16.0049  0.116575  256.209      3.73155  257.411      5.2957   255.023      5.25892  16.0407  0.165071  15.9662  0.164689  
1 1 1 20 5  16 o 18.0075  0.127951  324.351      4.60816  323.472      6.57097  325.202      6.46419  17.9807  0.182723  18.0289  0.179273  
1 1 1 20 5  17 o 17.5288  0.125674  307.344      4.40581  309.502      6.33513  305.323      6.13139  17.5876  0.180102  17.4687  0.175496  
1 1 1 20 5  18 o 10.6205  0.0849176 112.811      1.80373  114.01       2.56325  111.636      2.53865  10.676   0.120048  10.5642  0.120153  
1 1 1 20 5  19 o 5.63149  0.080859  31.7181      0.910713 30.5413      1.25669  33.0198      1.32165  5.52564  0.113715  5.74546  0.115017  
1 1 1 20 5  20 o 14.5137  0.119518  210.722      3.4693   211.537      4.90945  209.909      4.90321  14.5393  0.168834  14.4832  0.169273  
1 1 1 20 5  21 f 16.9656  0.127003  287.962      4.30935  287.694      6.08363  288.231      6.10511  16.9539  0.179417  16.9696  0.179883  
1 1 1 20 5  22 o 1.96429  0.255659  3.8668       1.00438  3.71589      1.4502   4.00591      1.39238  1.88716  0.396779  1.96544  0.367835  
1 1 1 20 5  23 o 12.3078  0.101523  151.551      2.49907  150.269      3.50014  152.885      3.56931  12.2529  0.142829  12.3589  0.144402  
1 1 1 20 5  24 o 6.19315  0.0950479 38.3738      1.17729  39.3957      1.65721  37.3327      1.67279  6.27367  0.132076  6.10698  0.136957  
1 1 1 20 5  25 o 2.62968  0.175578  6.92911      0.923428 5.1851       1.27775  8.83588      1.33605  2.27117  0.281298  2.96757  0.225108  
1 1 1 20 5  26 o 3.35125  0.143718  11.2501      0.963273 11.6273      1.32758  10.8306      1.39984  3.4045   0.194975  3.28479  0.213079  
1 1 1 20 5  27 o 9.06824  0.0977682 82.3173      1.77317  82.6629      2.5643   82.0008      2.45458  9.08223  0.141171  9.04652  0.135664  
1 1 1 20 5  28 o 4.45929  0.115989  19.92        1.03445  19.3727      1.46525  20.4639      1.46064  4.39352  0.166752  4.51604  0.161717  
1 1 1 20 5  29 o 1.96456  0.223076  3.88905      0.876493 3.98551      1.20622  3.78115      1.2758   1.98214  0.304273  1.89784  0.349194  
1 1 1 20 5  30 o 1.87828  0.227868  3.56239      0.855998 3.93648      1.2025   3.17809      1.2188   1.96683  0.305694  1.73002  0.363755  
1 1 1 20 5  31 o 1.08911  0.346725  1.2004       0.848898 2.00848      1.19238  0.369864     1.20883  1.37962  0.405552  0.960899 0.393855  
1 1 1 20 5  32 o 1.02287  0.361708  0.959945     0.926737 1.23499      1.28558  0.662397     1.33715  1.1734   0.424901  1.05508  0.421117  
1 1 1 20 5  33 o 2.89543  0.162723  8.45317      0.942304 7.56719      1.3135   9.39266      1.35259  2.72595  0.240925  3.04106  0.222388  
1 1 1 20 5  34 f 0.759784 0.335665  -0.243349    1.00183  -0.557111    1.43282  0.0567612    1.4013   0.870273 0.391732  0.952622 0.409048  
1 1 1 20 5  35 o 2.16909  0.228017  4.80268      0.989176 4.56963      1.39175  5.04058      1.40617  2.09162  0.332697  2.20041  0.319525  
1 1 1 20 5  36 o 3.53509  0.147695  12.6345      1.04423  12.3989      1.46619  12.877       1.48757  3.48254  0.210505  3.54941  0.209552  
1 1 1 20 5  37 o 2.85196  0.187346  8.30131      1.06861  8.06424      1.4728   8.56486      1.55285  2.78305  0.264601  2.86538  0.270968  
1 1 1 20 5  38 o 2.05739  0.267336  4.43981      1.10003  4.73712      1.56194  4.14723      1.54948  2.04382  0.396254  1.89539  0.41988   
1 1 1 20 5  39 o 0.69111  0.320623  -0.73201     1.06098  -1.48549     1.45318  0.128168     1.55267  0.746062 0.355569  0.972236 0.424144  
1 1 1 20 5  40 o 4.32362  0.145857  19.0558      1.26126  19.0817      1.71265  19.0252      1.86436  4.29103  0.199561  4.26998  0.218311  
1 1 1 20 5  41 o 1.83019  0.294356  3.70009      1.07746  4.27037      1.46463  3.02743      1.59067  1.86756  0.403571  1.51354  0.473582  
1 1 1 20 5  42 o 1.24368  0.392046  1.95427      1.08741  1.93905      1.51454  1.97048      1.56222  1.22513  0.458583  1.23204  0.46478   
1 1 1 20 5  43 o 0.683979 0.320098  -0.537056    1.08727  -0.63501     1.43911  -0.406782    1.65963  0.770151 0.361885  0.842675 0.394564  
1 1 1 20 5  44 o 0.879204 0.372576  0.800822     1.13613  1.92131      1.61121  -0.307296    1.60229  1.10208  0.453712  0.804177 0.379029  
1 1 1 20 5  45 o 0.849251 0.372306  0.76432      1.20847  3.76871      1.7675   -1.87296     1.656    1.36187  0.497716  0.669731 0.331578  
1 1 1 20 5  46 o 0.78709  0.359086  0.726781     1.26491  0.960854     1.74262  0.466112     1.83896  0.834121 0.393768  0.796589 0.384471  
1 1 1 20 6  0  o 11.3459  0.114905  128.793      2.6068   128.793      2.6068   128.793      2.6068   11.3473  0.0812306 ?        ?         
1 1 1 20 6  1  o 9.42659  0.0691672 88.8722      1.30402  89.9988      1.8648   87.7941      1.8242   9.48551  0.0982972 9.36863  0.0973568 
1 1 1 20 6  2  o 16.0031  0.113665  256.191      3.63799  256.62       5.21559  255.785      5.07701  16.0135  0.16285   15.9877  0.158778  
1 1 1 20 6  3  o 8.9091   0.0704513 79.3829      1.25531  76.4122      1.7421   82.5912      1.81044  8.74021  0.09966   9.08672  0.0996201 
1 1 1 20 6  4  o 18.3138  0.134352  335.564      4.92099  330.944      6.86815  340.438      7.05423  18.1828  0.188864  18.4415  0.191259  
1 1 1 20 6  5  o 5.4407   0.052601  29.6035      0.572372 30.4232      0.837824 28.8862      0.783789 5.51528  0.0759548 5.37419  0.0729215 
1 1 1 20 6  6  o 11.1895  0.0815541 125.226      1.82509  126.534      2.60748  123.97       2.55544  11.2467  0.115922  11.1322  0.114777  
1 1 1 20 6  7  o 23.5821  0.1681    556.522      7.9283   559.473      11.2682  553.628      11.1573  23.6357  0.238372  23.512   0.237267  
1 1 1 20 6  8  o 28.2352  0.20098   798.033      11.3494  801.815      16.131   794.326      15.9711  28.2873  0.285129  28.1552  0.283626  
1 1 1 20 6  9  o 16.2989  0.117226  265.744      3.82133  269.337      5.41195  262.171      5.39642  16.406   0.164938  16.1862  0.166698  
1 1 1 20 6  10 o 18.0632  0.127755  326.404      4.61533  328.49       6.41457  324.166      6.64569  18.1176  0.177026  17.9973  0.18463   
1 1 1 20 6  11 o 4.50947  0.0625616 20.3369      0.564239 20.5185      0.779872 20.1375      0.817355 4.52938  0.0860904 4.48709  0.0910785 
1 1 1 20 6  12 o 14.7034  0.107032  216.234      3.14747  219.248      4.49982  213.346      4.40412  14.804   0.15198   14.6034  0.150791  
1 1 1 20 6  13 o 12.9264  0.0940559 167.114      2.4316   172.157      3.51865  162.504      3.36416  13.119   0.134105  12.746   0.13197   
1 1 1 20 6  14 o 7.46068  0.0701368 55.6657      1.04654  56.6851      1.49762  54.6928      1.46304  7.52839  0.0994645 7.39492  0.0989219 
1 1 1 20 6  15 o 15.3476  0.109653  235.592      3.36582  236.649      4.77991  234.553      4.74033  15.3806  0.155388  15.3123  0.154788  
1 1 1 20 6  16 o 12.2695  0.0923453 150.562      2.26607  148.057      3.15619  153.227      3.25553  12.1662  0.129711  12.3768  0.131518  
1 1 1 20 6  17 o 9.06821  0.0798839 82.2422      1.44881  83.0025      2.07304  81.5163      2.02564  9.10947  0.113785  9.02758  0.112192  
1 1 1 20 6  18 o 22.2579  0.152963  495.655      6.80926  494.001      9.69975  497.263      9.56124  22.2151  0.218314  22.2887  0.214486  
1 1 1 20 6  19 o 4.75169  0.0901149 22.5826      0.856396 22.9385      1.17931  22.1854      1.24567  4.78862  0.123137  4.70923  0.132258  
1 1 1 20 6  20 o 23.2078  0.175387  539.015      8.14067  544.614      11.4871  533.366      11.5383  23.3191  0.246303  23.0765  0.250001  
1 1 1 20 6  21 o 5.09703  0.0979271 25.987       0.998276 28.0688      1.43054  24.0109      1.39373  5.2966   0.135043  4.89864  0.142257  
1 1 1 20 6  22 o 27.2957  0.219695  746.314      11.9934  753.015      17.1059  739.835      16.8203  27.3942  0.312217  27.1541  0.309719  
1 1 1 20 6  23 o 7.4775   0.0903491 55.9338      1.35117  55.6788      1.90237  56.1934      1.91943  7.45903  0.127521  7.49339  0.128075  
1 1 1 20 6  24 o 4.76178  0.110003  22.6899      1.04762  23.9677      1.49669  21.4624      1.46687  4.8925   0.152957  4.62953  0.158426  
1 1 1 20 6  25 o 6.70961  0.0917794 45.0446      1.23161  46.1206      1.73889  43.9614      1.74463  6.78739  0.128097  6.6264   0.131643  
1 1 1 20 6  26 o 3.32487  0.141738  11.0742      0.942522 11.7991      1.30487  10.2834      1.36288  3.42954  0.190239  3.20041  0.212923  
1 1 1 20 6  27 o 4.39835  0.122267  19.3774      1.07555  18.1651      1.58186  20.4196      1.46676  4.25397  0.185927  4.51225  0.162531  
1 1 1 20 6  28 o 3.39113  0.138615  11.5296      0.940125 12.3704      1.29116  10.5809      1.37156  3.50914  0.18397   3.24305  0.211461  
1 1 1 20 6  29 o 6.56747  0.0975393 43.197       1.28117  42.954       1.77031  43.4641      1.85646  6.54431  0.135256  6.58221  0.141021  
1 1 1 20 6  30 o 2.71183  0.163199  7.39199      0.885136 7.40854      1.24911  7.3753       1.25445  2.70796  0.230636  2.70169  0.232161  
1 1 1 20 6  31 o 4.5166   0.111253  20.4561      1.00497  20.5446      1.39243  20.36        1.45193  4.52069  0.154006  4.49918  0.161355  
1 1 1 20 6  32 o 1.53124  0.314518  2.49205      0.930132 1.87501      1.28706  3.16661      1.34571  1.34116  0.426926  1.7099   0.400183  
1 1 1 20 6  33 o 0.889121 0.347663  0.528234     0.895642 0.951313     1.30027  0.146268     1.23547  1.10268  0.421656  0.917871 0.388721  
1 1 1 20 6  34 o 3.25586  0.168536  10.7083      1.09746  12.195       1.58599  9.3425       1.52018  3.45944  0.229226  3.0222   0.251502  
1 1 1 20 6  35 o 4.45416  0.1259    19.966       1.12156  20.743       1.58255  19.1819      1.58971  4.52644  0.174812  4.35031  0.182712  
1 1 1 20 6  36 o 3.31493  0.157797  11.128       1.04617  12.1591      1.50269  10.1581      1.45737  3.44552  0.218065  3.14447  0.231736  
1 1 1 20 6  37 o 3.55594  0.153898  12.823       1.0945   13.2032      1.57157  12.465       1.52519  3.58255  0.219337  3.48107  0.219069  
1 1 1 20 6  38 o 4.00723  0.151564  16.3181      1.21471  16.5423      1.68943  16.078       1.74776  4.00498  0.210917  3.94211  0.221679  
1 1 1 20 6  39 o 2.55528  0.221149  6.77554      1.1302   7.57485      1.5614   5.89585      1.63803  2.66543  0.292898  2.3191   0.353159  
1 1 1 20 6  40 o 1.596    0.351154  2.93154      1.09057  2.5717       1.49918  3.33596      1.58936  1.44431  0.460868  1.63425  0.46436   
1 1 1 20 6  41 f 0.801365 0.348975  0.127098     1.04719  0.160286     1.43394  0.0891715    1.53291  0.910457 0.40199   0.922793 0.410564  
1 1 1 20 6  42 o 0.702315 0.322208  -0.383024    1.03536  -1.0843      1.44012  0.367257     1.48958  0.744122 0.354338  0.931465 0.410691  
1 1 1 20 6  43 o 0.777266 0.345874  0.111645     1.08831  0.290936     1.46436  -0.109579    1.62661  0.885858 0.397499  0.866996 0.400213  
1 1 1 20 6  44 o 0.954205 0.386509  1.19008      1.14951  2.10161      1.62874  0.285425     1.62259  1.12362  0.458296  0.864074 0.399189  
1 1 1 20 6  45 o 1.07876  0.410433  1.9836       1.22687  2.22821      1.75321  1.74887      1.71745  1.06302  0.45703   0.997682 0.440293  
1 1 1 20 6  46 o 0.63477  0.308748  -0.686827    1.24716  -1.32403     1.73794  -0.0102968   1.79076  0.673191 0.334463  0.762069 0.370446  
1 1 1 20 7  0  o 4.51017  0.0680765 20.3568      0.613757 20.3568      0.613757 20.3568      0.613757 4.51101  0.0481159 ?        ?         
1 1 1 20 7  1  o 8.85071  0.0665139 78.3447      1.17739  77.4456      1.66724  79.2392      1.66293  8.79922  0.0947378 8.90056  0.0934174 
1 1 1 20 7  2  o 14.8018  0.109171  219.167      3.23186  217.919      4.54847  220.438      4.59293  14.7572  0.15411   14.8422  0.154725  
1 1 1 20 7  3  o 18.5422  0.137426  343.996      5.09638  338.764      7.19874  349.254      7.21602  18.3957  0.195664  18.6786  0.193163  
1 1 1 20 7  4  o 15.3572  0.114899  235.929      3.52906  237.072      5.07508  234.859      4.91066  15.3913  0.164868  15.3197  0.160273  
1 1 1 20 7  5  o 8.59339  0.0657678 73.8549      1.13034  72.9361      1.58358  74.8093      1.61393  8.53927  0.0927232 8.64822  0.0933098 
1 1 1 20 7  6  o 5.33674  0.0529798 28.4828      0.565479 29.25        0.825046 27.8031      0.776569 5.40792  0.0762813 5.27249  0.0736435 
1 1 1 20 7  7  o 13.5105  0.10041   182.58       2.71318  181.288      3.77128  183.966      3.90632  13.461   0.140082  13.5598  0.14404   
1 1 1 20 7  8  o 3.20904  0.0637209 10.2989      0.408966 10.5476      0.591671 10.0714      0.565918 3.24738  0.0910998 3.17324  0.0891704 
1 1 1 20 7  9  o 10.8052  0.0792251 116.77       1.71209  118.871      2.46341  114.807      2.38119  10.9011  0.112989  10.7132  0.111134  
1 1 1 20 7  10 o 3.41087  0.0673639 11.6352      0.459538 11.7412      0.644864 11.5258      0.655025 3.4262   0.0941077 3.3946   0.0964804 
1 1 1 20 7  11 o 9.91599  0.0826147 98.3396      1.63841  96.9494      2.20837  100.042      2.44357  9.84509  0.112156  10.0006  0.122171  
1 1 1 20 7  12 o 27.0622  0.18468   732.778      9.99569  744.722      14.3452  721.507      13.9358  27.2737  0.262985  26.8456  0.259554  
1 1 1 20 7  13 o 20.5177  0.141673  421.101      5.8136   423.77       8.27257  418.496      8.17169  20.5795  0.200991  20.4511  0.199786  
1 1 1 20 7  14 o 10.3665  0.0814915 107.475      1.68957  108.947      2.39273  106.011      2.3861   10.4367  0.11463   10.2951  0.115885  
1 1 1 20 7  15 o 26.2817  0.180015  691.063      9.46221  689.318      13.6536  692.674      13.1252  26.2413  0.260156  26.3062  0.249469  
1 1 1 20 7  16 o 13.1375  0.0974335 172.62       2.56006  170.159      3.57489  175.21       3.66782  13.0425  0.137048  13.2345  0.13857   
1 1 1 20 7  17 o 25.6029  0.17611   655.9        9.01783  651.648      12.4041  660.667      13.1333  25.5127  0.243097  25.6871  0.255641  
1 1 1 20 7  18 o 3.67377  0.10077   13.4995      0.740412 12.3804      1.02597  14.7157      1.06959  3.51778  0.145827  3.83532  0.139439  
1 1 1 20 7  19 o 10.9934  0.0957541 120.88       2.10533  122.925      3.02993  118.971      2.92749  11.0848  0.13667   10.9052  0.134225  
1 1 1 20 7  20 o 10.4065  0.0951584 108.321      1.98054  108.344      2.80121  108.298      2.8006   10.4064  0.134591  10.4042  0.13459   
1 1 1 20 7  21 o 8.15668  0.092985  66.5487      1.5169   67.5814      2.21832  65.6416      2.0789   8.21853  0.134958  8.09994  0.128328  
1 1 1 20 7  22 o 11.7799  0.109101  138.827      2.57038  137.353      3.58343  140.388      3.68899  11.7146  0.152947  11.8432  0.155744  
1 1 1 20 7  23 o 8.87759  0.0906613 78.8424      1.60971  80.6814      2.29755  77.0695      2.25596  8.97876  0.127944  8.77545  0.128538  
1 1 1 20 7  24 o 14.1545  0.113887  200.5        3.22402  202.619      4.58351  198.425      4.53577  14.2237  0.161122  14.0757  0.16112   
1 1 1 20 7  25 o 3.41861  0.140236  11.7032      0.958827 10.2108      1.3062   13.447       1.41193  3.19063  0.204693  3.66213  0.192775  
1 1 1 20 7  26 o 4.92354  0.106796  24.267       1.05163  24.6818      1.47671  23.8402      1.49798  4.96298  0.148773  4.8773   0.153567  
1 1 1 20 7  27 o 7.37933  0.0956767 54.5109      1.41206  57.3031      2.06803  52.072       1.93274  7.56187  0.136741  7.20875  0.134055  
1 1 1 20 7  28 f 4.31466  0.116124  18.6512      1.00207  19.5001      1.3931   17.741       1.44247  4.40823  0.158011  4.2034   0.171583  
1 1 1 20 7  29 o 4.45949  0.113895  19.9297      1.01583  19.6327      1.39905  20.2608      1.47734  4.42167  0.158204  4.49108  0.164475  
1 1 1 20 7  30 o 2.56674  0.170619  6.62629      0.875869 5.87919      1.23552  7.38103      1.24183  2.40905  0.256434  2.7027   0.22974   
1 1 1 20 7  31 o 0.748225 0.320448  -0.014751    0.856106 -0.619543    1.20475  0.602171     1.21677  0.786564 0.356343  1.01146  0.402339  
1 1 1 20 7  32 o 1.56456  0.304896  2.59201      0.920017 2.26946      1.28832  2.92769      1.31427  1.45251  0.41982   1.64235  0.402671  
1 1 1 20 7  33 o 1.52783  0.308632  2.48732      0.910065 2.30919      1.32346  2.6471       1.25345  1.45863  0.426778  1.55655  0.400416  
1 1 1 20 7  34 o 3.40254  0.161248  11.6859      1.0973   10.2117      1.53906  13.2101      1.5649   3.16163  0.243397  3.60374  0.217122  
1 1 1 20 7  35 o 1.61735  0.313204  2.80347      0.976958 2.02522      1.39959  3.54301      1.36434  1.37388  0.445996  1.79465  0.390978  
1 1 1 20 7  36 o 1.38605  0.362262  2.12699      1.01536  2.57477      1.43374  1.67645      1.43815  1.50824  0.445136  1.27559  0.450639  
1 1 1 20 7  37 o 2.88189  0.182986  8.47375      1.05469  7.7682       1.46791  9.22667      1.51639  2.72764  0.269081  2.97933  0.254484  
1 1 1 20 7  38 o 0.546628 0.269253  -1.99254     1.03097  -2.40184     1.46398  -1.58984     1.45213  0.673306 0.328868  0.738152 0.352662  
1 1 1 20 7  39 o 1.09953  0.391596  1.26235      1.08795  2.16261      1.53367  0.350431     1.54357  1.36386  0.466882  1.0012   0.429588  
1 1 1 20 7  40 f 1.21718  0.380195  1.72938      1.02577  0.690906     1.43193  2.82403      1.47014  1.01616  0.423757  1.50693  0.452089  
1 1 1 20 7  41 f 0.997479 0.377277  1.03327      1.0316   1.22988      1.41256  0.808583     1.51011  1.09213  0.433793  1.02754  0.432191  
1 1 1 20 7  42 o 0.728307 0.328765  -0.157517    1.0164   0.923778     1.43128  -1.25751     1.4436   1.00662  0.421952  0.726696 0.348249  
1 1 1 20 7  43 o 0.594985 0.288298  -1.27842     1.06944  -3.38361     1.44248  1.29108      1.59363  0.568054 0.285829  1.05092  0.443096  
1 1 1 20 7  44 o 0.911299 0.378471  1.01256      1.13497  1.2326       1.59098  0.784532     1.61959  0.976006 0.427534  0.916806 0.41437   
1 1 1 20 7  45 o 0.744473 0.344442  0.205521     1.21381  -1.02314     1.70195  1.47738      1.73161  0.71339  0.349991  0.940706 0.426641  
1 1 1 20 7  46 f 0.683549 0.327047  -0.174055    1.26037  -0.427198    1.82825  0.055213     1.73989  0.736362 0.361737  0.760325 0.368236  
1 1 1 20 8  0  o 15.0792  0.165634  227.551      4.99388  227.551      4.99388  227.551      4.99388  15.082   0.117083  ?        ?         
1 1 1 20 8  1  o 6.36091  0.0555022 40.4647      0.70609  40.2604      0.986875 40.679       1.01067  6.34457  0.0777732 6.37745  0.0792381 
1 1 1 20 8  2  o 15.5474  0.113071  241.806      3.51591  239.407      4.87074  244.417      5.08037  15.4674  0.157451  15.6281  0.162539  
1 1 1 20 8  3  o 0.541479 0.183223  0.271338     0.236199 0.119741     0.315451 0.464791     0.356348 0.508621 0.203934  0.693405 0.225038  
1 1 1 20 8  4  o 16.8182  0.125619  282.972      4.22538  280.993      6.01275  284.902      5.9391   16.7556  0.179425  16.872   0.176004  
1 1 1 20 8  5  o 2.5084   0.0600784 6.29267      0.301402 6.73161      0.420099 5.82707      0.432672 2.59431  0.0809654 2.41368  0.0896292 
1 1 1 20 8  6  o 12.5477  0.0937027 157.48       2.35151  156.83       3.35474  158.109      3.29708  12.5203  0.133972  12.5714  0.131135  
1 1 1 20 8  7  o 12.1404  0.0902911 147.419      2.19234  148.427      3.12514  146.442      3.07631  12.1806  0.128284  12.0989  0.127132  
1 1 1 20 8  8  o 9.48647  0.0712953 90.0041      1.35268  90.5726      1.92715  89.452       1.89912  9.51578  0.101261  9.45675  0.100411  
1 1 1 20 8  9  o 6.20718  0.0589155 38.5322      0.731399 40.0293      1.08006  37.2643      0.993997 6.32632  0.0853627 6.10397  0.0814221 
1 1 1 20 8  10 o 7.10214  0.0655058 50.4448      0.930462 50.4718      1.3187   50.418       1.31306  7.10371  0.0928178 7.09993  0.0924699 
1 1 1 20 8  11 o 5.19651  0.0617533 27.0055      0.641803 26.567       0.918741 27.4234      0.896945 5.15395  0.0891297 5.23639  0.0856454 
1 1 1 20 8  12 o 35.5094  0.238662  1262.04      16.9495  1273.79      23.922   1250.19      24.0186  35.6582  0.335435  35.3255  0.339961  
1 1 1 20 8  13 o 2.09027  0.112389  4.37005      0.469846 4.53995      0.662862 4.19851      0.666076 2.13033  0.155577  2.04862  0.162567  
1 1 1 20 8  14 o 7.46096  0.0682852 55.6697      1.01895  55.3877      1.4057   55.982       1.47912  7.44179  0.0944464 7.48156  0.0988509 
1 1 1 20 8  15 o 9.10669  0.0789972 82.9395      1.4388   81.9385      1.96769  84.0897      2.10923  9.05116  0.108698  9.16911  0.115018  
1 1 1 20 8  16 o 5.94749  0.0711729 35.3758      0.846601 35.5826      1.15917  35.1394      1.2394   5.96462  0.0971707 5.92728  0.10455   
1 1 1 20 8  17 o 14.7397  0.107707  217.311      3.17515  219.627      4.42416  214.851      4.55957  14.8165  0.149299  14.6542  0.155572  
1 1 1 20 8  18 o 7.00714  0.0846897 49.1075      1.18686  45.5579      1.69568  52.5167      1.66179  6.74851  0.125633  7.24581  0.114673  
1 1 1 20 8  19 o 23.4863  0.17475   552          8.20846  554.24       11.6456  549.788      11.5718  23.5253  0.247512  23.4307  0.246938  
1 1 1 20 8  20 o 9.80569  0.0914007 96.1733      1.79249  94.5814      2.49423  97.8736      2.57777  9.72312  0.128263  9.89083  0.130311  
1 1 1 20 8  21 f 2.90891  0.160764  8.46861      0.935296 9.82511      1.3732   7.29478      1.2774   3.13215  0.219211  2.69852  0.236686  
1 1 1 20 8  22 o 7.86097  0.0923666 61.8158      1.45218  60.0975      2.0486   63.5513      2.05883  7.74953  0.132175  7.96923  0.129174  
1 1 1 20 8  23 f 11.4774  0.0983029 131.794      2.25652  134.095      3.21923  129.572      3.16389  11.5743  0.139068  11.3775  0.139042  
1 1 1 20 8  24 o 9.52886  0.0963538 90.8501      1.83628  91.6748      2.55897  89.9746      2.63656  9.5695   0.133705  9.47993  0.13906   
1 1 1 20 8  25 o 19.1318  0.139388  366.555      5.33347  369.393      7.58234  363.775      7.50362  19.1914  0.197545  19.0451  0.196997  
1 1 1 20 8  26 o 6.54807  0.0940127 42.9149      1.2312   42.7007      1.71118  43.1449      1.77282  6.52903  0.131044  6.56256  0.135071  
1 1 1 20 8  27 o 6.90186  0.0955864 47.6867      1.31945  47.6076      1.86564  47.7657      1.86632  6.8924   0.13534   6.90385  0.135165  
1 1 1 20 8  28 o 1.95621  0.219433  3.85309      0.858512 3.25892      1.20263  4.47052      1.22595  1.75937  0.354218  2.10155  0.291677  
1 1 1 20 8  29 o 3.52775  0.133027  12.4829      0.938573 12.6388      1.32527  12.326       1.32943  3.5444   0.186953  3.49993  0.189922  
1 1 1 20 8  30 o 2.39674  0.185606  5.78454      0.889697 4.63705      1.26537  6.90647      1.2512   2.13451  0.296406  2.61292  0.239425  
1 1 1 20 8  31 o 5.19361  0.105291  27.0451      1.09368  25.3307      1.53628  28.8069      1.55732  5.01892  0.153049  5.35367  0.145444  
1 1 1 20 8  32 o 3.63543  0.138506  13.29        1.00706  12.9144      1.39121  13.7034      1.45964  3.5742   0.194619  3.681    0.198267  
1 1 1 20 8  33 o 2.16118  0.221488  4.74903      0.957351 3.3182       1.34815  6.2045       1.35972  1.74326  0.395648  2.45865  0.276517  
1 1 1 20 8  34 o 0.927224 0.360935  0.605687     0.96309  0.940052     1.40864  0.312198     1.31973  1.12024  0.43642   0.971719 0.406122  
1 1 1 20 8  35 o 1.16736  0.368985  1.44273      0.962667 1.74031      1.37596  1.15741      1.34733  1.29484  0.442226  1.14887  0.432035  
1 1 1 20 8  36 f 0.978667 0.367289  0.827824     0.972796 1.14277      1.31788  0.450788     1.44196  1.12946  0.426652  1.01678  0.424705  
1 1 1 20 8  37 o 3.10632  0.169684  9.82068      1.05419  9.39663      1.46701  10.2734      1.51588  3.01024  0.24367   3.14891  0.240698  
1 1 1 20 8  38 o 0.737394 0.331248  -0.313957    1.0194   -0.549995    1.43716  -0.0749426   1.44619  0.847029 0.385441  0.915547 0.404039  
1 1 1 20 8  39 o 0.903465 0.372243  0.473112     1.0854   0.778125     1.54613  0.176739     1.52407  1.07067  0.443015  0.966498 0.420945  
1 1 1 20 8  40 o 0.701766 0.320211  -0.438839    1.00672  -0.925517    1.42363  0.0479628    1.42381  0.779938 0.365233  0.905493 0.400084  
1 1 1 20 8  41 o 0.74296  0.333926  -0.184124    1.03727  -0.662531    1.4161   0.369689     1.52362  0.795015 0.369437  0.958259 0.419083  
1 1 1 20 8  42 o 1.32942  0.373986  2.24228      1.03594  2.1589       1.44661  2.33004      1.48421  1.25754  0.451184  1.29507  0.45777   
1 1 1 20 8  43 o 0.821748 0.352059  0.447403     1.03397  -0.0260571   1.42526  0.973408     1.50227  0.832558 0.380319  0.9874   0.423739  
1 1 1 20 8  44 f 0.901497 0.377493  0.990781     1.14358  1.84817      1.63721  0.17394      1.59803  1.06233  0.448567  0.837294 0.390381  
1 1 1 20 8  45 o 0.682389 0.322335  -0.175397    1.17054  0.0374703    1.65331  -0.389336    1.65747  0.775741 0.371978  0.741107 0.359042  
1 1 1 20 8  46 o 0.571707 0.284753  -1.64216     1.29949  -1.38811     1.94537  -1.84685     1.74622  0.688035 0.34349   0.639906 0.319953  
1 1 1 20 9  0  o 6.46705  0.0787621 41.8449      1.01838  41.8449      1.01838  41.8449      1.01838  6.46791  0.0556765 ?        ?         
1 1 1 20 9  1  o 23.3452  0.1679    545.415      7.83931  545.641      11.2214  545.2        10.9563  23.3407  0.240383  23.3321  0.23479   
1 1 1 20 9  2  o 9.54488  0.0720436 91.1173      1.37529  90.5996      1.93454  91.6463      1.95555  9.51706  0.101635  9.57187  0.102151  
1 1 1 20 9  3  o 12.0323  0.0933608 144.811      2.2467   143.27       3.14672  146.413      3.20882  11.9668  0.131477  12.0973  0.132625  
1 1 1 20 9  4  o 22.214   0.171098  493.835      7.60151  498.432      10.843   489.391      10.6596  22.3084  0.243025  22.1054  0.241109  
1 1 1 20 9  5  o 12.6359  0.0978886 159.704      2.47382  159.934      3.50111  159.476      3.4959   12.6434  0.138456  12.6253  0.138449  
1 1 1 20 9  6  o 3.86148  0.0533425 14.912       0.411961 14.5605      0.55584  15.3405      0.613642 3.81557  0.0728384 3.91639  0.0783427 
1 1 1 20 9  7  o 5.97809  0.0577364 35.7405      0.690308 35.845       0.985126 35.6397      0.967595 5.98657  0.082278  5.96942  0.081046  
1 1 1 20 9  8  o 5.2596   0.0557197 27.6655      0.586128 28.6458      0.863831 26.829       0.797907 5.35177  0.0807053 5.17931  0.0770284 
1 1 1 20 9  9  o 12.0586  0.0911404 145.436      2.19805  146.803      3.14383  144.128      3.07436  12.114   0.12976   12.0032  0.128065  
1 1 1 20 9  10 o 9.02626  0.0740857 81.4818      1.33743  82.9945      1.92713  80.0763      1.85762  9.10915  0.10578   8.94761  0.103805  
1 1 1 20 9  11 o 21.4709  0.144279  461.159      6.19558  465.879      8.84333  456.608      8.68263  21.5766  0.204929  21.3609  0.203236  
1 1 1 20 9  12 f 24.4047  0.165464  595.831      8.07617  599.012      11.6014  592.84       11.2496  24.4643  0.237109  24.3385  0.231107  
1 1 1 20 9  13 o 9.45534  0.0778247 89.4115      1.47172  89.3149      2.09832  89.505       2.06474  9.44978  0.111025  9.45986  0.109132  
1 1 1 20 9  14 o 11.0039  0.0830381 121.099      1.82749  120.183      2.54223  122.079      2.62888  10.9617  0.11596   11.0477  0.118978  
1 1 1 20 9  15 o 8.27528  0.0743642 68.4862      1.23077  69.194       1.74867  67.7914      1.73259  8.31755  0.105119  8.23282  0.105224  
1 1 1 20 9  16 o 11.6371  0.0925091 135.444      2.15308  133.44       2.90627  137.882      3.2055   11.5499  0.125814  11.7403  0.136517  
1 1 1 20 9  17 o 5.70364  0.0768962 32.5355      0.877177 32.4649      1.22608  32.6096      1.25547  5.69711  0.107606  5.70977  0.109941  
1 1 1 20 9  18 o 17.0864  0.125501  292.044      4.28872  290.876      6.03181  293.239      6.09907  17.0492  0.176894  17.1183  0.178145  
1 1 1 20 9  19 o 5.10276  0.100906  26.0446      1.0298   27.0799      1.4455   24.9776      1.46747  5.2026   0.138921  4.99643  0.146852  
1 1 1 20 9  20 o 8.4404   0.0878523 71.2558      1.48302  70.9983      2.08249  71.5208      2.11243  8.42423  0.123602  8.45513  0.12492   
1 1 1 20 9  21 o 9.03186  0.100831  81.6018      1.82138  79.572       2.61449  83.5157      2.53883  8.91716  0.146599  9.13579  0.138949  
1 1 1 20 9  22 o 7.99864  0.0944705 64.0029      1.51127  65.0143      2.17899  63.0654      2.09784  8.05993  0.135174  7.93835  0.132133  
1 1 1 20 9  23 o 5.56238  0.0983102 30.9558      1.09368  30.6053      1.52748  31.3246      1.56665  5.52945  0.138122  5.59396  0.14003   
1 1 1 20 9  24 o 6.911    0.0940517 47.7887      1.29998  47.6894      1.81804  47.8925      1.85957  6.90193  0.131705  6.91645  0.134431  
1 1 1 20 9  25 o 8.57227  0.0930037 73.5337      1.5945   74.869       2.22002  72.1109      2.29162  8.64703  0.128369  8.48567  0.135029  
1 1 1 20 9  26 o 2.35028  0.183707  5.54329      0.863528 5.15692      1.2184   5.93325      1.22405  2.2624   0.269271  2.42785  0.252085  
1 1 1 20 9  27 o 6.38798  0.0963286 40.8528      1.23069  40.806       1.68699  40.906       1.79936  6.3811   0.132187  6.38798  0.140839  
1 1 1 20 9  28 o 2.08962  0.214551  4.39609      0.896657 4.84898      1.26082  3.93265      1.27543  2.18859  0.288044  1.9678   0.324076  
1 1 1 20 9  29 o 11.4451  0.102347  131.235      2.34273  131.825      3.3833   130.69       3.24714  11.4592  0.147624  11.4113  0.142278  
1 1 1 20 9  30 o 2.78779  0.161136  7.81363      0.898426 7.62235      1.24887  8.01881      1.29344  2.74626  0.227376  2.81648  0.22962   
1 1 1 20 9  31 o 4.62969  0.113761  21.5032      1.05335  20.29        1.45826  22.8269      1.5232   4.48975  0.162398  4.76264  0.159911  
1 1 1 20 9  32 o 2.56816  0.181737  6.66035      0.93346  7.16471      1.31636  6.1502       1.32389  2.65262  0.248125  2.45365  0.26978   
1 1 1 20 9  33 o 3.46761  0.154639  12.1263      1.07246  12.2958      1.56446  11.9761      1.47303  3.47525  0.225087  3.43256  0.214568  
1 1 1 20 9  34 o 3.85408  0.137345  14.9617      1.05868  15.9342      1.50801  14.0166      1.48661  3.96422  0.190203  3.71531  0.200066  
1 1 1 20 9  35 o 3.17024  0.158078  10.1689      1.00229  9.67278      1.40627  10.6811      1.4289   3.07249  0.228849  3.23125  0.221106  
1 1 1 20 9  36 o 1.26073  0.366328  1.75349      0.978387 1.49329      1.34587  2.04511      1.42479  1.21527  0.435274  1.36159  0.450005  
1 1 1 20 9  37 o 1.6286   0.317702  2.90067      0.997899 3.48458      1.37279  2.24643      1.45312  1.74962  0.40073   1.40493  0.454282  
1 1 1 20 9  38 o 1.92744  0.26607   3.91242      1.02567  4.56862      1.46954  3.28914      1.43221  2.00755  0.379825  1.67223  0.426749  
1 1 1 20 9  39 o 1.46454  0.367362  2.48206      1.07512  2.07779      1.49476  2.91536      1.5475   1.33212  0.460496  1.5422   0.464066  
1 1 1 20 9  40 o 1.12119  0.37732   1.44029      1.0017   2.89069      1.42956  0.0412502    1.40402  1.51674  0.443483  0.895862 0.396372  
1 1 1 20 9  41 o 0.934241 0.371833  0.786409     1.03979  0.465638     1.39644  1.18555      1.55771  0.943753 0.406852  1.09547  0.447731  
1 1 1 20 9  42 o 1.02109  0.380106  1.23073      1.03769  1.7101       1.44361  0.718231     1.49266  1.14825  0.442939  0.970281 0.41949   
1 1 1 20 9  43 o 1.08301  0.377798  1.547        1.00803  1.6893       1.39535  1.39166      1.45786  1.10707  0.433726  1.05007  0.431819  
1 1 1 20 9  44 o 0.875895 0.373219  0.870882     1.15091  2.32119      1.66525  -0.455385    1.59245  1.13523  0.46328   0.772292 0.369053  
1 1 1 20 9  45 o 1.00745  0.398389  1.84439      1.18655  1.52124      1.68517  2.16213      1.67098  0.9191   0.418007  1.00384  0.438952  
1 1 1 20 9  46 o 0.731294 0.346561  0.313842     1.36299  1.50534      1.96856  -0.783312    1.88902  0.85899  0.410446  0.703907 0.349583  
1 1 1 20 10 0  o 2.9057   0.0782834 8.46216      0.45419  8.46216      0.45419  8.46216      0.45419  2.90734  0.0552777 ?        ?         
1 1 1 20 10 1  o 4.96415  0.0490664 24.6443      0.487146 25.1502      0.697345 24.1622      0.680809 5.01468  0.0695304 4.9152   0.0692556 
1 1 1 20 10 2  o 9.97061  0.0736992 99.4271      1.46965  98.7981      2.06653  100.071      2.09049  9.93832  0.103968  10.0021  0.104502  
1 1 1 20 10 3  o 11.6682  0.0923565 136.176      2.15526  135.612      3.07171  136.722      3.02483  11.6426  0.131916  11.6903  0.129373  
1 1 1 20 10 4  o 11.2928  0.086441  127.551      1.95232  125.995      2.72777  129.185      2.79546  11.2226  0.12153   11.3638  0.122999  
1 1 1 20 10 5  o 6.94203  0.0605359 48.1961      0.840483 49.1963      1.23711  47.3387      1.14542  7.01332  0.0881973 6.87971  0.0832463 
1 1 1 20 10 6  o 10.355   0.0772991 107.242      1.60087  107.679      2.27266  106.812      2.25537  10.3753  0.109523  10.3335  0.10913   
1 1 1 20 10 7  o 10.4714  0.0786857 109.665      1.64789  111.34       2.36069  108.074      2.30138  10.5502  0.111879  10.3944  0.110704  
1 1 1 20 10 8  o 12.5951  0.0951091 158.67       2.39582  161.842      3.49468  155.856      3.29089  12.7189  0.137381  12.4817  0.131829  
1 1 1 20 10 9  o 6.24491  0.0635481 39.002       0.793703 37.8318      1.15763  40.04        1.09032  6.15021  0.0941133 6.32724  0.0861609 
1 1 1 20 10 10 o 15.4405  0.107105  238.457      3.30752  238.923      4.64141  237.977      4.71451  15.454   0.150169  15.4233  0.152837  
1 1 1 20 10 11 o 8.32678  0.0667593 69.3401      1.11178  69.937       1.58759  68.7656      1.55743  8.36223  0.094926  8.29192  0.0939127 
1 1 1 20 10 12 o 20.4978  0.141593  420.282      5.80469  424.131      8.27792  416.558      8.14191  20.5882  0.201035  20.4037  0.199521  
1 1 1 20 10 13 o 4.62925  0.0656992 21.4313      0.608276 22.4329      0.861302 20.4346      0.859165 4.73604  0.0909306 4.52016  0.095037  
1 1 1 20 10 14 o 16.141   0.111837  260.58       3.61032  262.201      5.13243  258.992      5.07949  16.1895  0.158511  16.0902  0.157845  
1 1 1 20 10 15 f 2.79132  0.101532  7.7928       0.566817 8.18718      0.788386 7.37083      0.815501 2.86086  0.137788  2.7144   0.150217  
1 1 1 20 10 16 o 19.7143  0.139215  388.8        5.48904  391.657      7.72752  385.891      7.7983   19.7829  0.195308  19.6365  0.198566  
1 1 1 20 10 17 o 4.13018  0.089541  17.0613      0.739642 17.9547      1.01091  16.0321      1.08504  4.23666  0.119305  4.00323  0.135521  
1 1 1 20 10 18 o 15.5689  0.122274  242.471      3.80733  242.782      5.37548  242.158      5.39331  15.5762  0.172554  15.5561  0.17335   
1 1 1 20 10 19 o 4.82066  0.0920439 23.2438      0.887425 23.9452      1.24157  22.5112      1.2689   4.89237  0.126888  4.7435   0.133751  
1 1 1 20 10 20 f 14.9386  0.121473  223.258      3.62927  223.305      5.19366  223.213      5.07358  14.9368  0.173855  14.934   0.169867  
1 1 1 20 10 21 o 10.0141  0.0970376 100.315      1.94348  99.8121      2.75138  100.816      2.74562  9.98724  0.137745  10.0374  0.13677   
1 1 1 20 10 22 o 4.6091   0.108833  21.2552      1.00324  22.2369      1.39952  20.2176      1.43888  4.71321  0.148468  4.49375  0.160098  
1 1 1 20 10 23 o 3.77703  0.123925  14.2781      0.936141 13.8555      1.29321  14.7434      1.3569   3.7192   0.173855  3.83641  0.176844  
1 1 1 20 10 24 o 3.74559  0.123702  14.0437      0.926672 12.9503      1.31252  15.1304      1.30852  3.59463  0.182567  3.88607  0.16836   
1 1 1 20 10 25 o 5.59821  0.0986532 31.3656      1.10456  31.7974      1.53666  30.9039      1.58882  5.63449  0.136362  5.55432  0.143026  
1 1 1 20 10 26 o 1.87958  0.224027  3.55189      0.842151 3.34254      1.17181  3.77553      1.21113  1.78863  0.33985   1.93292  0.31329   
1 1 1 20 10 27 o 4.93355  0.106683  24.3756      1.05266  24.3616      1.46137  24.3908      1.51758  4.92876  0.14825   4.93116  0.153876  
1 1 1 20 10 28 o 8.37035  0.0964154 70.1619      1.61406  70.7072      2.27253  69.6068      2.29286  8.39692  0.135319  8.33093  0.137611  
1 1 1 20 10 29 o 3.18804  0.139547  10.2002      0.889762 9.99525      1.25195  10.4094      1.26478  3.15001  0.198721  3.21484  0.196709  
1 1 1 20 10 30 o 4.32465  0.114396  18.7546      0.989445 18.6362      1.35342  18.8906      1.45015  4.30577  0.157164  4.33356  0.167317  
1 1 1 20 10 31 o 4.13866  0.124063  17.1972      1.0269   16.9926      1.42938  17.4154      1.47628  4.10612  0.174055  4.15623  0.177598  
1 1 1 20 10 32 o 4.67222  0.113542  21.9157      1.06099  22.9422      1.5223   20.9461      1.47954  4.77124  0.159528  4.55834  0.162289  
1 1 1 20 10 33 o 1.6215   0.319697  2.81113      0.999859 1.88976      1.42654  3.70085      1.40182  1.34797  0.45028   1.84124  0.39232   
1 1 1 20 10 34 o 2.31528  0.199232  5.44466      0.922554 5.27926      1.28022  5.62333      1.33062  2.2621   0.282972  2.33413  0.285035  
1 1 1 20 10 35 o 2.09375  0.222149  4.49146      0.930248 4.26289      1.30258  4.72937      1.32895  2.01328  0.323498  2.12396  0.312849  
1 1 1 20 10 36 o 2.82666  0.181473  8.1409       1.02593  8.66025      1.41394  7.5635       1.49087  2.89354  0.244328  2.6914   0.27697   
1 1 1 20 10 37 o 3.14274  0.169096  10.0599      1.06285  9.5802       1.46994  10.5855      1.53861  3.03773  0.241948  3.19366  0.240885  
1 1 1 20 10 38 o 1.02519  0.374895  1.02713      1.00293  1.39173      1.45838  0.699985     1.38146  1.18493  0.448463  1.02844  0.421206  
1 1 1 20 10 39 o 1.50061  0.363182  2.59901      1.07982  3.98525      1.52571  1.20775      1.52847  1.82762  0.425053  1.14264  0.452064  
1 1 1 20 10 40 o 0.861568 0.353728  0.494169     0.976679 0.00121374   1.36634  1.00922      1.39663  0.876105 0.388891  1.05593  0.426725  
1 1 1 20 10 41 o 1.08387  0.382635  1.37232      1.03668  0.12986      1.38305  2.96555      1.56615  0.885661 0.392433  1.4811   0.470892  
1 1 1 20 10 42 o 1.06948  0.38464   1.42863      1.05192  0.637194     1.43753  2.34092      1.5434   0.942787 0.409689  1.27536  0.465192  
1 1 1 20 10 43 o 0.786096 0.343118  0.325991     1.0172   1.96106      1.41899  -1.40236     1.45891  1.15232  0.440532  0.691676 0.335642  
1 1 1 20 10 44 o 0.962544 0.388724  1.30849      1.15786  2.38149      1.63848  0.238159     1.63644  1.14484  0.462387  0.843519 0.393965  
1 1 1 20 10 45 o 0.684618 0.32308   -0.0837616   1.17119  -0.169873    1.64846  0.00401044   1.66428  0.743976 0.359989  0.759531 0.366381  
1 1 1 20 10 46 o 0.575599 0.287799  -1.63625     1.39576  -1.30569     2.10299  -1.89651     1.866    0.679193 0.341866  0.631573 0.318518  
1 1 1 20 11 0  o 19.7577  0.200023  390.686      7.90217  390.686      7.90217  390.686      7.90217  19.7617  0.141392  ?        ?         
1 1 1 20 11 1  o 7.41593  0.0613631 55.0013      0.910129 54.6032      1.25777  55.4389      1.31862  7.38871  0.0851144 7.44498  0.0885574 
1 1 1 20 11 2  o 7.31225  0.0609978 53.474       0.892061 52.0654      1.25264  54.9234      1.27068  7.21494  0.0868087 7.41034  0.0857373 
1 1 1 20 11 3  o 24.3884  0.177892  595.265      8.677    591.994      12.2078  598.605      12.3355  24.3116  0.251069  24.4468  0.252292  
1 1 1 20 11 4  o 9.69016  0.0737062 93.9116      1.42845  93.1418      2.02603  94.6726      2.01429  9.64968  0.104979  9.72869  0.103523  
1 1 1 20 11 5  o 12.3045  0.091391  151.431      2.24904  154.867      3.24281  148.246      3.12188  12.442   0.130317  12.1732  0.128228  
1 1 1 20 11 6  f 8.70279  0.0718368 75.7478      1.25036  76.2201      1.77239  75.2799      1.7642   8.72933  0.101519  8.67532  0.101679  
1 1 1 20 11 7  o 6.67274  0.060907  44.5292      0.812832 44.593       1.14303  44.464       1.15611  6.67722  0.0855921 6.66755  0.0866971 
1 1 1 20 11 8  o 8.85505  0.073073  78.4205      1.29413  79.6518      1.93311  77.4206      1.74211  8.92369  0.108313  8.79799  0.0990061 
1 1 1 20 11 9  o 12.7457  0.0944555 162.479      2.4078   166.288      3.52802  159.159      3.29428  12.893   0.136819  12.6138  0.130582  
1 1 1 20 11 10 o 7.87556  0.066081  62.0288      1.04085  62.6388      1.50627  61.4714      1.43994  7.91387  0.0951667 7.83982  0.0918347 
1 1 1 20 11 11 o 15.0622  0.107466  226.907      3.23733  230.829      4.70521  223.382      4.4611   15.1903  0.154875  14.9435  0.149266  
1 1 1 20 11 12 f 10.4804  0.0831748 109.849      1.74341  108.482      2.41401  111.34       2.52053  10.4144  0.115898  10.5506  0.119449  
1 1 1 20 11 13 o 16.5259  0.113966  273.159      3.7668   274.331      5.34573  272.003      5.30857  16.5596  0.161409  16.4893  0.160971  
1 1 1 20 11 14 o 17.9571  0.123363  322.534      4.43049  320.146      6.22726  324.983      6.30478  17.8883  0.174059  18.0229  0.17491   
1 1 1 20 11 15 o 9.6393   0.0776873 92.9262      1.4977   92.9143      2.09181  92.9386      2.14535  9.63818  0.108517  9.63939  0.11128   
1 1 1 20 11 16 f 22.4807  0.157394  505.637      7.07664  501.981      10.0603  509.218      9.95627  22.3934  0.224626  22.5546  0.220714  
1 1 1 20 11 17 o 16.1852  0.116494  262.036      3.77096  261.343      5.31595  262.737      5.3501   16.1614  0.164464  16.2044  0.165082  
1 1 1 20 11 18 o 23.8073  0.181578  567.223      8.64574  567.662      12.2145  566.783      12.2394  23.8072  0.256529  23.7887  0.257253  
1 1 1 20 11 19 o 7.3862   0.0817326 54.5656      1.20739  54.8014      1.66111  54.3015      1.75801  7.40154  0.112214  7.36755  0.119308  
1 1 1 20 11 20 o 8.26918  0.0949131 68.3983      1.56971  68.1098      2.18876  68.7038      2.25241  8.25063  0.132642  8.28642  0.13591   
1 1 1 20 11 21 o 1.30096  0.324478  1.76671      0.842369 2.01862      1.18151  1.50628      1.20131  1.40012  0.401187  1.25291  0.413209  
1 1 1 20 11 22 o 7.06872  0.0940308 49.988       1.32935  50.0666      1.79074  49.8914      1.98407  7.07304  0.126589  7.06002  0.140515  
1 1 1 20 11 23 o 9.01585  0.0898005 81.3235      1.61925  83.0765      2.3014   79.6049      2.27872  9.11042  0.126306  8.91794  0.12776   
1 1 1 20 11 24 o 7.15142  0.0905161 51.1722      1.29464  50.6539      1.78407  51.7487      1.8816   7.11318  0.125406  7.18928  0.130862  
1 1 1 20 11 25 o 6.51235  0.0945416 42.4451      1.23138  42.1897      1.71048  42.7198      1.77412  6.49025  0.131773  6.53058  0.135832  
1 1 1 20 11 26 o 5.47346  0.100598  29.9925      1.10124  26.1928      1.52757  34.104       1.58902  5.11154  0.149424  5.83384  0.13619   
1 1 1 20 11 27 o 4.22184  0.113845  17.8554      0.96127  18.5944      1.34972  17.0947      1.36938  4.30493  0.156764  4.12685  0.165911  
1 1 1 20 11 28 o 7.68481  0.0941166 59.1396      1.44654  57.9184      2.06993  60.3053      2.02233  7.59908  0.136196  7.75505  0.130388  
1 1 1 20 11 29 o 0.838036 0.329681  0.425445     0.808659 -1.0798      1.1249   2.03523      1.1633   0.693827 0.324864  1.38805  0.398199  
1 1 1 20 11 30 o 4.37518  0.114026  19.1972      0.997765 21.5526      1.40099  16.7729      1.42133  4.63085  0.151267  4.08191  0.174102  
1 1 1 20 11 31 o 3.32839  0.148839  11.1453      0.990787 9.79052      1.35453  12.7042      1.45301  3.10905  0.217837  3.54418  0.204986  
1 1 1 20 11 32 o 2.98338  0.152064  8.96533      0.907331 8.11072      1.25471  9.90211      1.31364  2.82591  0.222     3.12492  0.210188  
1 1 1 20 11 33 o 2.55035  0.199894  6.59763      1.0196   5.56514      1.46397  7.57022      1.42086  2.31758  0.31584   2.718    0.261381  
1 1 1 20 11 34 o 3.70456  0.131994  13.8191      0.977963 13.6697      1.3748   13.9722      1.39144  3.67154  0.187224  3.71188  0.187431  
1 1 1 20 11 35 o 2.50454  0.197821  6.39615      0.990902 6.93366      1.35886  5.78573      1.44808  2.58887  0.262443  2.3501   0.30809   
1 1 1 20 11 36 o 1.70083  0.278209  3.02326      0.946374 3.05075      1.30309  2.99259      1.37669  1.64132  0.40005   1.61806  0.421324  
1 1 1 20 11 37 o 0.982025 0.372082  0.844549     1.00485  1.56195      1.4398   0.163299     1.40305  1.23153  0.449297  0.945875 0.407791  
1 1 1 20 11 38 o 2.72112  0.190593  7.60934      1.03725  7.27453      1.45795  7.9525       1.47601  2.62094  0.278135  2.7454   0.268815  
1 1 1 20 11 39 o 0.742901 0.333764  -0.280222    1.03524  -1.29291     1.46148  0.739623     1.46663  0.761686 0.359972  1.04222  0.431373  
1 1 1 20 11 40 o 0.981221 0.369432  0.977301     0.985734 0.991772     1.37869  0.962168     1.40991  1.04659  0.423553  1.04592  0.426467  
1 1 1 20 11 41 o 0.75791  0.334205  0.0269868    0.986778 0.200226     1.32792  -0.186639    1.47461  0.880253 0.387983  0.860824 0.391374  
1 1 1 20 11 42 o 0.967364 0.376331  1.06409      1.04668  1.65025      1.44782  0.422341     1.51492  1.11992  0.440954  0.917492 0.408178  
1 1 1 20 11 43 o 1.60382  0.368819  3.43366      1.15907  4.86549      1.6549   2.05501      1.62389  1.78835  0.460121  1.14546  0.461277  
1 1 1 20 11 44 o 1.03408  0.396559  1.63826      1.15278  0.933546     1.60917  2.38121      1.65225  0.917327 0.413903  1.13679  0.462285  
1 1 1 20 11 45 o 0.767352 0.347811  0.623273     1.14915  -0.188966    1.62261  1.44059      1.62767  0.732792 0.355086  0.889579 0.406393  
1 1 1 20 11 46 o 0.695075 0.335309  0.329161     1.39448  -1.31768     2.10722  1.61228      1.86002  0.657117 0.332188  0.801132 0.386665  
1 1 1 20 12 0  o 11.6352  0.125029  135.45       2.90871  135.45       2.90871  135.45       2.90871  11.6367  0.0883856 ?        ?         
1 1 1 20 12 1  o 9.61224  0.0764081 92.4085      1.46891  89.3494      1.99131  96.0601      2.1756   9.45117  0.105347  9.79952  0.111005  
1 1 1 20 12 2  o 4.01576  0.0504665 16.1273      0.405322 16.0632      0.570294 16.1927      0.576176 4.00764  0.0711508 4.02376  0.0715966 
1 1 1 20 12 3  o 11.5869  0.088655  134.282      2.05448  133.63       2.88982  134.949      2.92138  11.5576  0.125018  11.6145  0.125764  
1 1 1 20 12 4  o 1.76105  0.0979608 3.10199      0.345027 2.7854       0.47924  3.44267      0.497135 1.66853  0.143611  1.85504  0.133996  
1 1 1 20 12 5  o 5.40563  0.0602458 29.2233      0.651333 29.8673      0.962122 28.6785      0.884956 5.46459  0.0880323 5.3548   0.0826321 
1 1 1 20 12 6  o 11.3998  0.0897867 129.98       2.0471   130.934      2.95675  129.101      2.83703  11.4404  0.129224  11.3602  0.124868  
1 1 1 20 12 7  o 13.1635  0.0973635 173.312      2.56329  176.147      3.77771  170.892      3.48949  13.2692  0.142349  13.0701  0.133491  
1 1 1 20 12 8  o 9.61067  0.071821  92.374       1.3805   91.0794      1.95374  93.6648      1.9509   9.5426   0.10237   9.67712  0.100799  
1 1 1 20 12 9  o 14.9438  0.107148  223.361      3.20239  225.647      4.57158  221.159      4.48733  15.0186  0.152197  14.8685  0.1509    
1 1 1 20 12 10 o 18.2344  0.126259  332.575      4.60453  337.577      6.60583  327.848      6.42165  18.3687  0.179813  18.1021  0.177373  
1 1 1 20 12 11 o 27.3439  0.188492  748.078      10.3082  758.475      14.9416  738.636      14.2398  27.5253  0.271416  27.1639  0.262109  
1 1 1 20 12 12 o 13.2354  0.0977818 175.2        2.58836  173.248      3.80156  176.887      3.53405  13.1603  0.144433  13.2981  0.132878  
1 1 1 20 12 13 o 21.7075  0.146492  471.369      6.35998  473.376      9.03366  469.397      8.95559  21.75    0.20767   21.6585  0.206746  
1 1 1 20 12 14 o 14.9297  0.104668  222.936      3.12532  223.377      4.42802  222.498      4.41175  14.943   0.148163  14.9136  0.14791   
1 1 1 20 12 15 o 6.01683  0.0685856 36.2055      0.825336 35.3241      1.13321  37.2012      1.20445  5.94289  0.0953418 6.09871  0.098746  
1 1 1 20 12 16 o 31.0584  0.212088  965.523      13.1742  969.938      19.1304  961.541      18.1689  31.1132  0.307433  30.9809  0.293228  
1 1 1 20 12 17 o 14.3403  0.108322  205.698      3.10674  205.335      4.38476  206.065      4.40249  14.3258  0.153037  14.3513  0.153384  
1 1 1 20 12 18 o 5.54286  0.0934303 30.7298      1.03574  32.0464      1.42444  29.2528      1.50871  5.65985  0.125838  5.40729  0.139507  
1 1 1 20 12 19 o 17.7917  0.126525  316.688      4.5022   317.317      6.29756  316.03       6.43894  17.8055  0.176843  17.769   0.181185  
1 1 1 20 12 20 o 3.03084  0.160761  9.19366      0.974479 8.23159      1.37068  10.1769      1.38569  2.86643  0.239092  3.18769  0.21735   
1 1 1 20 12 21 o 6.26057  0.0896097 39.2078      1.12202  38.8677      1.54499  39.5873      1.63213  6.23238  0.123948  6.28962  0.129748  
1 1 1 20 12 22 o 3.17809  0.148069  10.1116      0.941157 10.5254      1.26713  9.60234      1.40561  3.24113  0.195476  3.09471  0.227099  
1 1 1 20 12 23 o 5.62555  0.0956649 31.6645      1.07634  31.7169      1.44838  31.6         1.60852  5.62891  0.128655  5.61785  0.143162  
1 1 1 20 12 24 o 4.40053  0.114701  19.3837      1.00949  19.742       1.38191  18.9736      1.47821  4.43914  0.155651  4.35114  0.169865  
1 1 1 20 12 25 o 4.36552  0.107569  19.0795      0.939193 18.4106      1.32426  19.7565      1.33222  4.28575  0.154495  4.43994  0.150027  
1 1 1 20 12 26 o 1.91287  0.216277  3.67883      0.827417 3.92984      1.17156  3.42901      1.16874  1.97231  0.297001  1.8119   0.335134  
1 1 1 20 12 27 o 2.80928  0.150219  7.91715      0.844014 7.99952      1.18373  7.83197      1.20375  2.81958  0.209913  2.7894   0.215772  
1 1 1 20 12 28 o 3.49428  0.129365  12.2441      0.904074 10.5168      1.28807  13.9213      1.26924  3.23217  0.199258  3.72202  0.170504  
1 1 1 20 12 29 o 4.49794  0.108779  20.2792      0.978567 21.7604      1.39997  18.8641      1.36838  4.65435  0.150394  4.33256  0.157918  
1 1 1 20 12 30 o 4.65626  0.111416  21.7427      1.03756  22.7091      1.47369  20.7929      1.46106  4.7523   0.15505   4.54646  0.160682  
1 1 1 20 12 31 o 1.97875  0.226671  3.97215      0.897051 5.26221      1.23989  2.55517      1.29945  2.27041  0.273054  1.53541  0.413772  
1 1 1 20 12 32 o 1.39727  0.307487  2.08726      0.836056 2.87164      1.17181  1.27396      1.19321  1.62837  0.368377  1.1594   0.410385  
1 1 1 20 12 33 o 4.55407  0.130294  20.8653      1.18673  21.7031      1.74711  20.1477      1.61702  4.62899  0.188714  4.46224  0.181189  
1 1 1 20 12 34 o 4.06511  0.124628  16.6284      1.01325  16.928       1.43171  16.3278      1.4342   4.08896  0.175071  4.0148   0.178614  
1 1 1 20 12 35 o 1.57501  0.313386  2.68335      0.952134 2.65445      1.30249  2.71652      1.39535  1.53598  0.414403  1.54966  0.433423  
1 1 1 20 12 36 o 3.15862  0.163125  10.1343      1.0305   8.31436      1.40498  12.2533      1.51604  2.83222  0.248035  3.45141  0.219626  
1 1 1 20 12 37 o 2.35226  0.220814  5.72048      1.03882  6.1531       1.46034  5.27731      1.47805  2.4048   0.303631  2.2132   0.333916  
1 1 1 20 12 38 o 0.837071 0.349466  0.300087     0.975561 0.22687      1.36317  0.376955     1.39675  0.937427 0.403015  0.97185  0.412534  
1 1 1 20 12 39 o 0.744974 0.333351  -0.234224    1.02354  -0.90315     1.44902  0.431906     1.44599  0.797309 0.371737  0.980764 0.418133  
1 1 1 20 12 40 o 1.65014  0.319826  3.1276       1.01784  3.93318      1.39442  2.20887      1.48914  1.79477  0.398933  1.31929  0.459286  
1 1 1 20 12 41 o 0.865588 0.357872  0.553846     1.00768  -0.93882     1.3825   2.24567      1.47185  0.745473 0.351569  1.29741  0.456136  
1 1 1 20 12 42 o 1.07279  0.385477  1.47314      1.05629  2.39131      1.47806  0.514718     1.51011  1.2793   0.456353  0.927887 0.41074   
1 1 1 20 12 43 o 1.98773  0.294871  4.76467      1.17225  6.97269      1.63123  2.40666      1.68573  2.32378  0.350986  1.19256  0.473821  
1 1 1 20 12 44 o 0.826567 0.362042  0.651386     1.14069  2.99371      1.60684  -1.72826     1.61959  1.2554   0.471867  0.674304 0.332403  
1 1 1 20 12 45 o 0.701032 0.327597  0.19685      1.13348  -0.0580635   1.59346  0.457945     1.61267  0.732351 0.354289  0.778036 0.3717    
1 1 1 20 12 46 o 0.509845 0.258029  -2.37414     1.3133   -3.64059     1.89595  -1.20599     1.82089  ?        ?         0.632447 0.31829   
1 1 1 20 13 0  o 1.54657  0.139082  2.44995      0.422198 2.44995      0.422198 2.44995      0.422198 1.55618  0.0967784 ?        ?         
1 1 1 20 13 1  o 6.96052  0.0588567 48.4529      0.819347 48.6577      1.18219  48.2635      1.13661  6.9749   0.0847463 6.94663  0.0818104 
1 1 1 20 13 2  o 15.938   0.112532  254.095      3.58706  255.904      5.11016  252.338      5.03638  15.9921  0.159772  15.8803  0.158573  
1 1 1 20 13 3  o 13.9712  0.106099  195.246      2.96465  193.857      4.21882  196.6        4.16696  13.9194  0.151544  14.0177  0.148632  
1 1 1 20 13 4  o 8.16242  0.0683186 66.6324      1.11529  67.7985      1.63788  65.6243      1.52291  8.23302  0.0994702 8.10004  0.0940063 
1 1 1 20 13 5  o 5.29057  0.0576796 27.9923      0.610317 28.7139      0.89399  27.3623      0.835238 5.35811  0.0834241 5.23052  0.0798428 
1 1 1 20 13 6  o 13.0139  0.0943641 169.392      2.45608  169.146      3.47477  169.637      3.47208  13.0032  0.133612  13.022   0.133316  
1 1 1 20 13 7  o 15.339   0.111817  235.342      3.43032  234.056      4.83037  236.65       4.87233  15.2952  0.157904  15.3797  0.158401  
1 1 1 20 13 8  o 4.06091  0.0594612 16.492       0.482933 17.2644      0.719357 15.8582      0.6516   4.15478  0.0865699 3.98201  0.081818  
1 1 1 20 13 9  o 8.70657  0.0727891 75.8107      1.26749  78.255       1.81987  73.5081      1.76632  8.84544  0.102871  8.57296  0.103017  
1 1 1 20 13 10 o 3.06746  0.0728929 9.41002      0.447192 9.90057      0.635978 8.93029      0.628931 3.14628  0.101068  2.98811  0.105239  
1 1 1 20 13 11 o 13.0299  0.0918497 169.798      2.39358  172.178      3.42646  167.53       3.34506  13.12    0.130582  12.9417  0.129236  
1 1 1 20 13 12 o 8.87769  0.0702765 78.8192      1.24779  79.2985      1.77152  78.3473      1.75783  8.9043   0.0994757 8.85074  0.0993042 
1 1 1 20 13 13 o 14.6452  0.103638  214.517      3.03559  213.648      4.32655  215.359      4.26016  14.6142  0.148026  14.6727  0.145173  
1 1 1 20 13 14 o 15.2612  0.107774  232.952      3.28952  235.533      4.75311  230.58       4.55722  15.3438  0.154887  15.1818  0.150088  
1 1 1 20 13 15 o 3.54509  0.0879726 12.5697      0.623742 12.9407      0.878818 12.193       0.885427 3.59677  0.122168  3.49128  0.126806  
1 1 1 20 13 16 o 14.3513  0.106387  206.01       3.05359  207.24       4.39576  204.863      4.24503  14.3922  0.152713  14.3097  0.148327  
1 1 1 20 13 17 o 9.41807  0.0871267 88.7154      1.64113  89.6731      2.29801  87.7185      2.34451  9.46799  0.121357  9.36413  0.125186  
1 1 1 20 13 18 o 8.00143  0.0838995 64.0344      1.34263  64.6652      1.88594  63.3862      1.91186  8.04003  0.117284  7.96006  0.120091  
1 1 1 20 13 19 o 1.56494  0.245173  2.45338      0.767365 3.52969      1.09124  1.40049      1.0793   1.8764   0.290778  1.20281  0.391662  
1 1 1 20 13 20 o 3.7029   0.126492  13.7192      0.936773 12.5546      1.28059  15.0597      1.37393  3.54121  0.180812  3.87855  0.177119  
1 1 1 20 13 21 o 9.1226   0.0905255 83.2524      1.65166  80.5045      2.26609  86.3666      2.41236  8.96918  0.126326  9.28981  0.129839  
1 1 1 20 13 22 o 6.55824  0.0949153 43.0316      1.24496  44.5489      1.67231  41.1452      1.86461  6.67168  0.125329  6.4108   0.145427  
1 1 1 20 13 23 o 7.97896  0.090677  63.6975      1.44702  64.2613      1.98715  63.0612      2.11126  8.01229  0.124007  7.93653  0.133009  
1 1 1 20 13 24 o 3.63426  0.133231  13.2265      0.968394 13.366       1.32729  13.0678      1.41605  3.65109  0.181766  3.60935  0.196165  
1 1 1 20 13 25 o 7.39229  0.0872857 54.6896      1.29048  54.8642      1.80559  54.5072      1.84509  7.40132  0.121978  7.37691  0.125058  
1 1 1 20 13 26 o 3.76715  0.121496  14.217       0.915387 13.5493      1.30248  14.8687      1.28677  3.67387  0.177262  3.84941  0.167139  
1 1 1 20 13 27 o 2.77114  0.147999  7.70377      0.820254 7.61002      1.14126  7.80394      1.17973  2.74993  0.207507  2.78438  0.211847  
1 1 1 20 13 28 o 3.49102  0.129284  12.223       0.902669 10.5246      1.29166  13.8443      1.26199  3.23277  0.199776  3.71133  0.170018  
1 1 1 20 13 29 f 7.65127  0.0942941 58.6484      1.44294  60.0009      2.01834  57.2345      2.06366  7.73263  0.130508  7.55101  0.136648  
1 1 1 20 13 30 o 2.46721  0.180578  6.13498      0.891049 4.7975       1.20661  7.73924      1.32147  2.17021  0.277994  2.76298  0.239139  
1 1 1 20 13 31 o 2.28937  0.188437  5.29529      0.862806 4.06803      1.20469  6.58784      1.23631  1.99082  0.302561  2.54511  0.24288   
1 1 1 20 13 32 o 5.75281  0.106244  33.2218      1.2224   33.0015      1.71763  33.4479      1.74005  5.72261  0.150074  5.7609   0.151022  
1 1 1 20 13 33 o 5.29251  0.112099  28.1402      1.18657  27.9048      1.68061  28.3741      1.67553  5.25766  0.159825  5.30224  0.158002  
1 1 1 20 13 34 o 3.35765  0.144444  11.3737      0.969984 11.759       1.38288  11.0006      1.36091  3.39917  0.203415  3.2867   0.207033  
1 1 1 20 13 35 o 1.81281  0.266588  3.40939      0.966544 2.26117      1.30838  4.78875      1.43404  1.42094  0.426533  2.12532  0.337372  
1 1 1 20 13 36 f 2.20206  0.225414  4.99859      0.992754 5.06339      1.37556  4.92815      1.43421  2.1851   0.314758  2.14809  0.333834  
1 1 1 20 13 37 o 1.08731  0.373543  1.24615      0.982249 0.487462     1.43451  1.91586      1.34777  1.00467  0.421839  1.30403  0.437672  
1 1 1 20 13 38 o 1.63766  0.311774  2.96223      0.984397 3.98282      1.38338  1.91535      1.40109  1.86431  0.384153  1.29883  0.446138  
1 1 1 20 13 39 f 0.68577  0.313993  -0.487912    0.977825 -0.114376    1.36074  -0.886753    1.40608  0.868693 0.386648  0.782664 0.365404  
1 1 1 20 13 40 o 0.839652 0.351765  0.399587     0.993798 1.7419       1.3592   -1.14233     1.45675  1.2033   0.436781  0.757114 0.358555  
1 1 1 20 13 41 o 0.940951 0.374933  0.861077     1.05831  -1.70068     1.42735  3.98893      1.5772   0.685292 0.332371  1.71736  0.452725  
1 1 1 20 13 42 o 0.915417 0.371448  0.855075     1.06427  1.84147      1.48033  -0.20026     1.53118  1.15311  0.447764  0.838144 0.387429  
1 1 1 20 13 43 o 1.55826  0.373737  3.35333      1.15151  3.49951      1.59706  3.19506      1.66182  1.42772  0.476433  1.33978  0.483294  
1 1 1 20 13 44 o 0.599779 0.292048  -1.07396     1.12291  -1.74629     1.58396  -0.39465     1.59215  0.659708 0.32605   0.76033  0.364695  
1 1 1 20 13 45 o 0.661079 0.314835  -0.177295    1.13725  -0.383975    1.56716  0.0526159    1.6529   0.708882 0.345145  0.751332 0.363015  
1 1 1 20 14 0  o 13.0241  0.129664  169.711      3.37677  169.711      3.37677  169.711      3.37677  13.0257  0.091665  ?        ?         
1 1 1 20 14 1  o 13.1261  0.091826  172.329      2.41064  172.344      3.4072   172.313      3.41111  13.1254  0.129795  13.1242  0.129955  
1 1 1 20 14 2  o 9.51329  0.0700208 90.5129      1.33226  89.1164      1.85789  91.9911      1.91144  9.43907  0.098415  9.59007  0.099657  
1 1 1 20 14 3  o 6.59667  0.0588631 43.5195      0.776601 43.1808      1.10389  43.8514      1.09275  6.57067  0.0840013 6.62151  0.0825154 
1 1 1 20 14 4  o 11.4801  0.0842501 131.814      1.93441  129.551      2.69364  134.223      2.77971  11.3803  0.118347  11.5836  0.119984  
1 1 1 20 14 5  o 5.60669  0.0561698 31.437       0.629853 30.7037      0.881531 32.2018      0.900259 5.54073  0.07955   5.6743   0.0793278 
1 1 1 20 14 6  o 10.5221  0.0793556 110.727      1.66997  111.777      2.38343  109.714      2.34054  10.5712  0.112732  10.4732  0.111739  
1 1 1 20 14 7  o 10.1041  0.0820837 102.104      1.65876  102.747      2.39146  101.508      2.30274  10.1352  0.117978  10.074   0.114291  
1 1 1 20 14 8  o 15.5916  0.108907  243.142      3.39606  247.332      4.88346  239.219      4.72592  15.7237  0.15529   15.4638  0.152806  
1 1 1 20 14 9  o 33.3949  0.237268  1116.14      15.847   1135.28      22.7879  1098.21      22.0524  33.6652  0.33845   33.1118  0.332999  
1 1 1 20 14 10 o 7.81912  0.069728  61.143       1.09042  60.5831      1.60853  61.619       1.48326  7.78289  0.103338  7.84925  0.0944839 
1 1 1 20 14 11 o 13.1909  0.092754  174.021      2.44701  175.041      3.47834  173.021      3.44312  13.2286  0.131471  13.152   0.130897  
1 1 1 20 14 12 o 15.4323  0.106993  238.197      3.3023   242.571      4.74299  234.083      4.60059  15.5719  0.152293  15.2971  0.150375  
1 1 1 20 14 13 o 25.8647  0.173177  669.314      8.95834  664.93       12.5906  673.809      12.7489  25.7732  0.244258  25.9446  0.245694  
1 1 1 20 14 14 o 7.70915  0.0713071 59.4367      1.09943  59.4345      1.60411  59.4386      1.50984  7.70858  0.104047  7.70894  0.0979277 
1 1 1 20 14 15 f 10.6476  0.0833531 113.388      1.77502  115.368      2.56668  111.573      2.45741  10.7394  0.119499  10.5613  0.11634   
1 1 1 20 14 16 o 5.79534  0.0787503 33.5905      0.91277  34.1628      1.28566  33.0089      1.2961   5.84412  0.109996  5.74454  0.112812  
1 1 1 20 14 17 o 11.6551  0.0989618 135.873      2.30682  135.496      3.23514  136.263      3.29024  11.6376  0.138995  11.6704  0.140965  
1 1 1 20 14 18 o 3.97238  0.101067  15.7842      0.802952 16.0659      1.10534  15.4694      1.16837  4.00718  0.13792   3.93193  0.148575  
1 1 1 20 14 19 o 7.05284  0.0920289 49.7556      1.29813  50.3642      1.83207  49.1421      1.83962  7.09493  0.129111  7.00827  0.131247  
1 1 1 20 14 20 o 6.62126  0.0870025 43.8538      1.15213  42.7945      1.59656  45.0049      1.66427  6.53987  0.122064  6.70657  0.124078  
1 1 1 20 14 21 o 12.0478  0.105834  145.228      2.55014  144.689      3.57269  145.788      3.64117  12.0223  0.148586  12.0677  0.150865  
1 1 1 20 14 22 f 7.06386  0.0946453 49.9237      1.33712  49.7412      1.81588  50.1398      1.97623  7.0494   0.128797  7.07701  0.139623  
1 1 1 20 14 23 o 4.26598  0.109009  18.2134      0.930064 18.0399      1.24589  18.4318      1.39779  4.24417  0.146777  4.28928  0.16294   
1 1 1 20 14 24 f 6.48142  0.0937019 42.0408      1.21464  40.7644      1.71282  43.332       1.72275  6.3797   0.13424   6.5778   0.130952  
1 1 1 20 14 25 o 4.06332  0.10962   16.5321      0.890842 15.932       1.26018  17.1315      1.2595   3.9861   0.158072  4.13383  0.152341  
1 1 1 20 14 26 o 8.77063  0.0926103 77.0096      1.6245   77.7887      2.26266  76.1806      2.33378  8.81036  0.128409  8.71802  0.133848  
1 1 1 20 14 27 o 1.84974  0.21748   3.4461       0.804564 3.66225      1.124    3.21899      1.15218  1.90098  0.295636  1.75003  0.341367  
1 1 1 20 14 28 f 6.60234  0.0904694 43.6564      1.19462  43.6866      1.66512  43.6244      1.71488  6.59993  0.126146  6.59462  0.130021  
1 1 1 20 14 29 o 2.59151  0.165181  6.75446      0.856135 6.29136      1.21119  7.2169       1.21033  2.49294  0.242924  2.67215  0.22647   
1 1 1 20 14 30 o 4.79243  0.113127  23.042       1.08431  24.3528      1.51389  21.6613      1.55377  4.92015  0.153846  4.63773  0.167514  
1 1 1 20 14 31 o 5.14001  0.107225  26.5108      1.10227  26.5198      1.57818  26.5023      1.54021  5.13164  0.15377   5.1308   0.150095  
1 1 1 20 14 32 o 1.23912  0.352857  1.64764      0.916747 2.85214      1.2907   0.42131      1.30233  1.6122   0.40137   0.98886  0.407643  
1 1 1 20 14 33 o 1.46317  0.314225  2.30161      0.893057 2.69033      1.28526  1.93872      1.24181  1.56218  0.407241  1.34321  0.418071  
1 1 1 20 14 34 f 0.913918 0.347891  0.662429     0.881817 -0.448593    1.25789  1.73606      1.23654  0.818336 0.36777   1.27753  0.419223  
1 1 1 20 14 35 o 0.840923 0.349821  0.271428     0.972146 -0.378632    1.31641  1.0512       1.44177  0.843377 0.377698  1.13144  0.441371  
1 1 1 20 14 36 o 1.57424  0.326409  2.7252       0.993189 3.00537      1.35804  2.40305      1.45626  1.61734  0.417216  1.44666  0.453227  
1 1 1 20 14 37 o 0.690468 0.314438  -0.464617    0.960439 0.102686     1.40179  -0.966553    1.31856  0.929834 0.40432   0.756743 0.353515  
1 1 1 20 14 38 o 1.03802  0.370639  1.10793      0.975176 1.67586      1.36799  0.521168     1.3905   1.23191  0.439075  0.990419 0.415562  
1 1 1 20 14 39 o 2.30728  0.221289  5.59287      1.02115  7.1164       1.43711  4.03921      1.45125  2.56627  0.28      1.8339   0.406431  
1 1 1 20 14 40 o 1.50816  0.349941  2.70189      1.03603  3.47996      1.4724   1.93893      1.45803  1.64508  0.439153  1.2491   0.452484  
1 1 1 20 14 41 o 2.30154  0.237204  5.76447      1.09187  6.49892      1.51645  4.97383      1.5734   2.36522  0.320573  1.96245  0.413796  
1 1 1 20 14 42 o 0.830688 0.356244  0.459225     1.06055  0.62711      1.42627  0.251599     1.58612  0.925524 0.405114  0.898779 0.407902  
1 1 1 20 14 43 o 0.844872 0.362892  0.694903     1.1035   0.414169     1.53511  0.995069     1.58735  0.861595 0.39405   0.940984 0.418249  
1 1 1 20 14 44 o 0.63873  0.305967  -0.53606     1.11143  1.58904      1.56713  -2.68668     1.57651  0.95986  0.422361  0.595183 0.299475  
1 1 1 20 14 45 o 0.677562 0.321524  -0.109395    1.17663  -0.889362    1.66967  0.66009      1.65841  0.690059 0.339861  0.807531 0.382496  
1 1 1 20 15 0  o 2.40665  0.104948  5.82561      0.50296  5.82561      0.50296  5.82561      0.50296  2.41016  0.0739382 ?        ?         
1 1 1 20 15 1  o 7.79704  0.0625302 60.799       0.975101 58.8795      1.34355  62.9353      1.41742  7.67265  0.0875542 7.93248  0.0893428 
1 1 1 20 15 2  o 3.17272  0.0549688 10.0668      0.348801 9.66414      0.499454 10.4501      0.487327 3.10851  0.0803366 3.23246  0.0753801 
1 1 1 20 15 3  o 8.62727  0.0686235 74.4369      1.18407  74.6234      1.70242  74.2622      1.64796  8.63762  0.0985466 8.61674  0.0956253 
1 1 1 20 15 4  o 9.95157  0.0765006 99.0448      1.5226   96.5533      2.133    101.633      2.17416  9.82502  0.108549  10.0802  0.107843  
1 1 1 20 15 5  o 15.8786  0.115642  252.191      3.67248  252.637      5.20767  251.749      5.17977  15.8906  0.16386   15.8627  0.163269  
1 1 1 20 15 6  o 21.036   0.151074  442.684      6.35597  445.247      9.04591  440.185      8.93257  21.0925  0.214434  20.9724  0.21296   
1 1 1 20 15 7  o 18.8816  0.14514   356.635      5.48097  359.317      7.92244  354.173      7.59071  18.949   0.209047  18.8133  0.201738  
1 1 1 20 15 8  o 22.5409  0.152532  508.268      6.87642  510.173      9.65626  506.307      9.79467  22.5792  0.213831  22.4932  0.217725  
1 1 1 20 15 9  o 3.59342  0.0644623 12.9135      0.46328  12.8717      0.680159 12.9496      0.632759 3.58747  0.0947964 3.59835  0.0879237 
1 1 1 20 15 10 o 25.5334  0.170707  652.236      8.71746  650.024      12.2921  654.474      12.3649  25.4844  0.24117   25.5714  0.241772  
1 1 1 20 15 11 o 3.99259  0.0639743 15.9418      0.510846 16.1616      0.730027 15.7308      0.715096 4.0199   0.0908016 3.96596  0.0901542 
1 1 1 20 15 12 o 14.1912  0.100504  201.422      2.85256  200.777      3.98009  202.104      4.09043  14.1673  0.140467  14.2139  0.143888  
1 1 1 20 15 13 o 6.39202  0.0757431 40.8622      0.968303 42.8274      1.44167  39.2469      1.30699  6.54355  0.11016   6.26412  0.104323  
1 1 1 20 15 14 o 27.2377  0.182402  742.389      9.93641  747.964      14.1502  736.967      13.9562  27.3304  0.258873  27.1289  0.25722   
1 1 1 20 15 15 o 10.2226  0.0974694 104.522      1.99277  101.281      2.6932   108.443      2.96241  10.0619  0.133832  10.4114  0.142268  
1 1 1 20 15 16 o 7.5606   0.0837047 57.1716      1.26572  58.0992      1.72074  56.078       1.86834  7.62119  0.112892  7.48721  0.124769  
1 1 1 20 15 17 o 9.79664  0.0949497 95.9959      1.86037  95.4456      2.68079  96.5072      2.58382  9.76729  0.137233  9.82164  0.131537  
1 1 1 20 15 18 o 14.2025  0.107003  201.776      3.03941  203.046      4.31616  200.528      4.2808   14.2447  0.151501  14.1561  0.1512    
1 1 1 20 15 19 o 4.66939  0.114205  21.8127      1.06654  21.9762      1.49293  21.6422      1.52418  4.6859   0.1593    4.65005  0.163889  
1 1 1 20 15 20 o 5.09514  0.0929905 25.97        0.9476   25.1195      1.31997  26.8744      1.3612   5.01008  0.131731  5.18214  0.131336  
1 1 1 20 15 21 o 6.45328  0.0947285 41.6639      1.22262  41.4951      1.72394  41.8347      1.73419  6.43873  0.133873  6.46501  0.134121  
1 1 1 20 15 22 f 7.10115  0.0878041 50.4498      1.24702  50.834       1.71626  50.0202      1.81498  7.12665  0.120412  7.06895  0.128377  
1 1 1 20 15 23 o 1.89631  0.214791  3.60817      0.814623 3.67917      1.0863   3.51694      1.2314   1.9124   0.284014  1.83759  0.347709  
1 1 1 20 15 24 o 2.22052  0.178979  4.94574      0.794852 5.04703      1.12327  4.84415      1.12491  2.2399   0.250742  2.19412  0.256347  
1 1 1 20 15 25 o 3.46393  0.124763  12.0199      0.864343 11.9421      1.23665  12.0943      1.20856  3.44946  0.179253  3.47173  0.174058  
1 1 1 20 15 26 o 3.95212  0.116961  15.6486      0.924489 16.5462      1.26961  14.6355      1.34883  4.06089  0.156322  3.81745  0.176667  
1 1 1 20 15 27 o 4.18585  0.106802  17.5534      0.894118 17.8442      1.23247  17.2303      1.2991   4.21696  0.146133  4.14271  0.156794  
1 1 1 20 15 28 o 2.74505  0.149294  7.56759      0.819637 8.56177      1.14457  6.52113      1.17428  2.91527  0.196307  2.54064  0.231099  
1 1 1 20 15 29 o 5.10879  0.102932  26.1604      1.05172  26.5852      1.5109   25.761       1.46488  5.14401  0.14686   5.064    0.144637  
1 1 1 20 15 30 o 2.615    0.169292  6.89092      0.885397 5.04108      1.22287  8.92914      1.28362  2.22291  0.27506   2.96972  0.216118  
1 1 1 20 15 31 o 2.82952  0.159256  8.0692       0.901238 7.40682      1.26105  8.7607       1.28847  2.69868  0.233643  2.93791  0.219284  
1 1 1 20 15 32 o 2.95374  0.162681  8.80776      0.961033 8.94721      1.33822  8.65925      1.381    2.96393  0.225751  2.91314  0.23703   
1 1 1 20 15 33 o 3.33441  0.145347  11.2113      0.969292 10.8338      1.39575  11.5629      1.34712  3.262    0.213941  3.37386  0.19964   
1 1 1 20 15 34 o 0.728047 0.319315  -0.134639    0.889764 0.358875     1.25313  -0.636406    1.26357  0.951446 0.396572  0.792512 0.360842  
1 1 1 20 15 35 o 2.37742  0.20682   5.79046      0.983395 6.6259       1.37738  4.92184      1.40447  2.5206   0.273225  2.15373  0.326057  
1 1 1 20 15 36 o 1.03966  0.37323   1.05872      0.990041 0.748801     1.38594  1.38167      1.41477  1.04872  0.424563  1.18925  0.443603  
1 1 1 20 15 37 o 1.63399  0.302994  2.92776      0.953028 2.88532      1.36455  2.96817      1.33162  1.56648  0.424848  1.59343  0.41412   
1 1 1 20 15 38 o 2.59342  0.194011  6.94724      1.0063   6.89983      1.38825  6.99974      1.46076  2.54552  0.272685  2.55628  0.285721  
1 1 1 20 15 39 o 0.981188 0.364968  0.976184     0.956312 2.03779      1.34676  -0.103473    1.35817  1.29264  0.437509  0.861407 0.384761  
1 1 1 20 15 40 o 0.754957 0.336718  -0.102344    1.03676  0.423749     1.43375  -0.678922    1.50097  0.944846 0.409845  0.814398 0.379177  
1 1 1 20 15 41 o 1.13442  0.392319  1.63766      1.08501  0.573382     1.48711  2.8491       1.5866   0.948104 0.414342  1.4      0.47487   
1 1 1 20 15 42 o 0.951558 0.374677  1.04278      1.04534  0.349517     1.40028  1.91548      1.57109  0.875303 0.390832  1.15455  0.457833  
1 1 1 20 15 43 o 0.764008 0.344735  0.238189     1.11637  0.191147     1.50778  0.295268     1.66086  0.82483  0.382489  0.856309 0.398757  
1 1 1 20 15 44 o 0.781347 0.347667  0.644847     1.09946  1.53783      1.55171  -0.255462    1.55805  0.930862 0.413659  0.737062 0.355285  
1 1 1 20 15 45 o 0.720445 0.335718  0.328929     1.1798   1.6264       1.66726  -0.972348    1.66971  0.891183 0.408865  0.675118 0.33393   
1 1 1 20 16 0  o 20.2657  0.196505  410.966      7.96294  410.966      7.96294  410.966      7.96294  20.269   0.138913  ?        ?         
1 1 1 20 16 1  o 2.51398  0.0666568 6.32063      0.335147 6.41424      0.47646  6.22894      0.471519 2.53242  0.0940721 2.49557  0.0944713 
1 1 1 20 16 2  o 11.8999  0.0848214 141.626      2.01873  141.271      2.84858  141.984      2.86129  11.8841  0.119848  11.9141  0.12008   
1 1 1 20 16 3  o 10.7994  0.0825837 116.641      1.7837   115.555      2.50322  117.761      2.54231  10.7483  0.116447  10.8504  0.117153  
1 1 1 20 16 4  o 4.56653  0.0573148 20.8544      0.523459 21.6094      0.748391 20.1312      0.732434 4.64833  0.0805011 4.48652  0.0816261 
1 1 1 20 16 5  o 12.7685  0.0952447 163.06       2.43227  162.553      3.42894  163.574      3.45067  12.7477  0.134493  12.7876  0.134922  
1 1 1 20 16 6  f 24.4714  0.172638  599.131      8.44939  594.743      11.7354  603.854      12.1752  24.3761  0.240715  24.5614  0.247853  
1 1 1 20 16 7  o 12.0263  0.0932174 144.65       2.24211  146.185      3.20112  143.171      3.14138  12.0891  0.132397  11.9639  0.131286  
1 1 1 20 16 8  o 12.9989  0.0918239 168.993      2.38722  170.484      3.37163  167.494      3.38048  13.0553  0.129128  12.9403  0.130618  
1 1 1 20 16 9  o 34.9386  0.239752  1221.74      16.7532  1221.39      23.9514  1222.08      23.442   34.9174  0.342972  34.9285  0.335571  
1 1 1 20 16 10 o 25.2865  0.16921   639.682      8.55745  642.285      12.1473  637.118      12.0573  25.3322  0.239759  25.2302  0.238947  
1 1 1 20 16 11 o 11.3032  0.0824379 127.776      1.86363  128.82       2.65647  126.765      2.61516  11.3487  0.117039  11.2578  0.116149  
1 1 1 20 16 12 o 18.5987  0.126676  346.007      4.71204  347.293      6.68828  344.741      6.63966  18.6306  0.179497  18.562   0.178851  
1 1 1 20 16 13 o 8.12909  0.0718491 66.0887      1.16814  66.2231      1.65345  65.9549      1.65054  8.13694  0.101601  8.12045  0.101629  
1 1 1 20 16 14 o 21.8341  0.149489  476.947      6.52792  480.548      9.38751  473.575      9.08372  21.9109  0.21422   21.7519  0.208803  
1 1 1 20 16 15 o 25.3396  0.170408  642.502      8.63614  647.521      12.304   637.628      12.1246  25.4302  0.241918  25.2354  0.240231  
1 1 1 20 16 16 o 14.6392  0.113855  214.373      3.33349  215.033      4.66716  213.686      4.76283  14.6595  0.159185  14.6134  0.162961  
1 1 1 20 16 17 f 13.0043  0.102888  169.159      2.67597  165.367      3.77133  173.004      3.79759  12.8558  0.146678  13.1494  0.144402  
1 1 1 20 16 18 o 8.67908  0.0905384 75.3452      1.57158  74.9404      2.2868   75.7074      2.16343  8.65452  0.132116  8.69896  0.12435   
1 1 1 20 16 19 o 4.71545  0.122149  22.2475      1.15197  20.3802      1.57612  24.389       1.68788  4.51193  0.174662  4.93588  0.170981  
1 1 1 20 16 20 o 6.27935  0.0873066 39.4439      1.09646  36.2923      1.48974  43.1692      1.61964  6.02218  0.123688  6.56803  0.123297  
1 1 1 20 16 21 o 5.7051   0.0951494 32.5643      1.08567  31.4455      1.50159  33.7897      1.57155  5.6049   0.133954  5.81     0.135245  
1 1 1 20 16 22 o 3.43328  0.121998  11.7987      0.837706 12.8849      1.15105  10.5754      1.22148  3.58655  0.160467  3.24824  0.188021  
1 1 1 20 16 23 o 5.67054  0.0929002 32.177       1.05359  30.8023      1.42962  33.8112      1.55874  5.54631  0.12888   5.81057  0.13413   
1 1 1 20 16 24 o 3.9407   0.113838  15.55        0.897207 14.6677      1.25826  16.4625      1.2797   3.82454  0.164498  4.05222  0.157901  
1 1 1 20 16 25 o 1.91576  0.210832  3.68959      0.807808 3.08914      1.11722  4.34742      1.16939  1.71738  0.337292  2.0752   0.281752  
1 1 1 20 16 26 f 2.52236  0.158943  6.38529      0.801822 6.24302      1.09922  6.54708      1.1722   2.48989  0.220736  2.54905  0.229928  
1 1 1 20 16 27 o 4.2511   0.104118  18.1051      0.885229 18.3226      1.25751  17.8913      1.24637  4.27259  0.14716   4.22196  0.147606  
1 1 1 20 16 28 o 4.53961  0.102181  20.6511      0.927724 20.0813      1.2742   21.294       1.35338  4.47218  0.142459  4.60463  0.146958  
1 1 1 20 16 29 o 2.83835  0.151446  8.09879      0.859715 8.28221      1.21073  7.91225      1.22098  2.86322  0.211428  2.79761  0.218218  
1 1 1 20 16 30 o 2.09767  0.206347  4.45281      0.865697 3.82226      1.19414  5.15129      1.25682  1.92952  0.309441  2.2453   0.279879  
1 1 1 20 16 31 o 1.51925  0.287465  2.44168      0.841681 2.25448      1.1576   2.65165      1.22598  1.44123  0.391499  1.55983  0.392909  
1 1 1 20 16 32 o 2.08564  0.224617  4.42849      0.93694  3.5108       1.2949   5.43688      1.35738  1.79925  0.372434  2.29572  0.295632  
1 1 1 20 16 33 o 5.36767  0.108456  28.9475      1.16432  28.6825      1.64535  29.2133      1.64784  5.33006  0.154346  5.37954  0.153158  
1 1 1 20 16 34 o 3.05679  0.163442  9.46983      0.999216 8.96793      1.40532  9.98301      1.42102  2.95288  0.237957  3.11913  0.227791  
1 1 1 20 16 35 o 0.936954 0.359667  0.707076     0.949034 3.54206      1.31804  -2.34514     1.36761  1.7787   0.381519  0.65001  0.317575  
1 1 1 20 16 36 o 3.68748  0.151028  13.8042      1.11382  13.5362      1.59068  14.062       1.56014  3.62129  0.219629  3.69534  0.211095  
1 1 1 20 16 37 o 1.24401  0.370094  1.75         0.988018 1.03465      1.37977  2.50283      1.41545  1.0947   0.430643  1.45578  0.444986  
1 1 1 20 16 38 o 1.09376  0.368237  1.31283      0.954051 3.00128      1.32371  -0.512386    1.37628  1.58765  0.413015  0.824316 0.375663  
1 1 1 20 16 39 o 1.80803  0.269846  3.54121      0.975779 4.16712      1.36356  2.88426      1.39696  1.87274  0.377297  1.50986  0.437413  
1 1 1 20 16 40 o 1.38418  0.368896  2.34492      1.04004  2.69669      1.4334   1.95382      1.51138  1.42707  0.450166  1.24164  0.459423  
1 1 1 20 16 41 o 0.814593 0.3521    0.335605     1.05115  -1.32961     1.42638  2.31478      1.55504  0.705448 0.34002   1.26684  0.466468  
1 1 1 20 16 42 o 0.883338 0.367239  0.768174     1.07034  1.86448      1.42337  -0.658448    1.6237   1.13128  0.439112  0.793489 0.377085  
1 1 1 20 16 43 o 0.870829 0.367956  0.875287     1.10287  0.588727     1.51159  1.20146      1.61269  0.869707 0.395636  0.958296 0.424298  
1 1 1 20 16 44 o 0.668296 0.31521   -0.143448    1.11199  0.886871     1.56568  -1.19215     1.57958  0.83829  0.389128  0.665152 0.327983  
1 1 1 20 16 45 o 0.687985 0.323676  0.197871     1.15821  -0.155032    1.64348  0.546069     1.63249  0.708834 0.346738  0.761409 0.366198  
1 1 1 20 17 0  o 3.3597   0.0841955 11.3095      0.564941 11.3095      0.564941 11.3095      0.564941 3.36134  0.0594638 ?        ?         
1 1 1 20 17 1  o 14.1808  0.0971385 201.127      2.755    200.679      3.88491  201.581      3.9075   14.1638  0.137143  14.1955  0.137631  
1 1 1 20 17 2  o 18.8545  0.126928  355.589      4.78632  348.419      6.63664  363.361      6.90935  18.6609  0.177822  19.0566  0.181285  
1 1 1 20 17 3  o 11.8771  0.0874158 141.082      2.07649  142.242      2.95695  139.954      2.91665  11.925   0.123982  11.8287  0.123287  
1 1 1 20 17 4  o 12.378   0.0915507 153.235      2.26642  150.417      3.11135  156.421      3.3081   12.2628  0.126861  12.505   0.132271  
1 1 1 20 17 5  o 6.47854  0.0671016 41.9743      0.869441 41.3122      1.21475  42.6698      1.24496  6.42701  0.0945034 6.53175  0.0953004 
1 1 1 20 17 6  o 9.9633   0.0809316 99.2768      1.61269  98.136       2.25606  100.469      2.30615  9.90541  0.11388   10.0224  0.115049  
1 1 1 20 17 7  o 8.78245  0.074635  77.1377      1.31096  78.2088      1.88515  76.1346      1.82429  8.84282  0.106592  8.7248   0.104546  
1 1 1 20 17 8  o 14.4387  0.100894  208.507      2.91356  208.023      4.07111  209.015      4.1715   14.4208  0.141154  14.4551  0.144292  
1 1 1 20 17 9  o 5.57487  0.0586641 31.0808      0.65409  30.8684      0.928331 31.2902      0.92175  5.55564  0.0835486 5.59348  0.0823951 
1 1 1 20 17 10 o 21.1708  0.142402  448.341      6.02956  449.531      8.54812  447.162      8.5062   21.1955  0.201649  21.1396  0.201191  
1 1 1 20 17 11 o 9.32852  0.0742123 87.0293      1.38458  90.7636      2.07045  84.0082      1.86225  9.52605  0.108673  9.1648   0.101598  
1 1 1 20 17 12 o 9.83095  0.0758995 96.6578      1.49233  96.9184      2.11645  96.4001      2.10454  9.84365  0.107503  9.8173   0.107185  
1 1 1 20 17 13 o 18.2859  0.125179  334.48       4.57801  336.487      6.51197  332.519      6.43726  18.3377  0.177557  18.2293  0.176564  
1 1 1 20 17 14 o 6.4062   0.0735018 41.0442      0.941736 42.6833      1.38619  39.6392      1.28338  6.53246  0.1061    6.29526  0.101932  
1 1 1 20 17 15 o 11.4264  0.0910319 130.588      2.08034  130.667      2.94324  130.509      2.94085  11.4288  0.128764  11.4219  0.128737  
1 1 1 20 17 16 o 9.58527  0.0892343 91.8958      1.71067  93.1239      2.4153   90.6596      2.42322  9.64816  0.125169  9.51958  0.127276  
1 1 1 20 17 17 f 7.62383  0.0823685 58.1339      1.25593  58.4976      1.75039  57.748       1.80308  7.64694  0.11445   7.59769  0.11866   
1 1 1 20 17 18 o 4.24345  0.103496  18.0131      0.878363 17.7476      1.2281   18.2912      1.25678  4.21134  0.145809  4.27533  0.146981  
1 1 1 20 17 19 o 16.4623  0.135527  271.207      4.46216  274.765      6.36965  267.779      6.25286  16.5636  0.192279  16.3518  0.191198  
1 1 1 20 17 20 o 7.14451  0.0852729 51.0622      1.21847  52.0067      1.74369  50.1609      1.70336  7.20898  0.120939  7.07992  0.120295  
1 1 1 20 17 21 o 12.4795  0.108362  155.844      2.70461  156.387      3.97331  155.375      3.69196  12.4963  0.158979  12.457   0.148188  
1 1 1 20 17 22 o 6.96394  0.0884762 48.5227      1.23229  49.4832      1.68422  47.4161      1.80777  7.0309   0.119772  6.88177  0.131345  
1 1 1 20 17 23 o 1.80936  0.220487  3.28758      0.797881 3.7168       1.13112  2.8625       1.12565  1.92066  0.294461  1.65183  0.35126   
1 1 1 20 17 24 o 3.84652  0.112111  14.8158      0.862474 15.6513      1.23021  14.0082      1.2095   3.95102  0.155683  3.73749  0.161806  
1 1 1 20 17 25 o 0.755651 0.309726  0.197828     0.74756  0.327523     1.02062  0.0477107    1.09804  0.893496 0.363338  0.863192 0.366058  
1 1 1 20 17 26 o 2.01294  0.190872  4.07395      0.768426 3.04371      1.05158  5.25442      1.12564  1.70476  0.320214  2.2818   0.246655  
1 1 1 20 17 27 o 3.70418  0.114839  13.7534      0.850769 15.1408      1.21826  12.4326      1.18862  3.88253  0.156891  3.51697  0.168984  
1 1 1 20 17 28 o 3.10245  0.132461  9.66004      0.821906 9.94027      1.14932  9.36672      1.17584  3.14205  0.182893  3.0489   0.19283   
1 1 1 20 17 29 o 1.73274  0.241474  3.04498      0.836826 2.73118      1.17636  3.36646      1.19067  1.595    0.374716  1.78087  0.346664  
1 1 1 20 17 30 o 1.5357   0.254011  2.40263      0.780168 2.04608      1.06907  2.80885      1.1411   1.37941  0.376911  1.61549  0.362175  
1 1 1 20 17 31 o 1.96518  0.231474  3.93192      0.909776 3.92531      1.24573  3.93948      1.33182  1.94748  0.319831  1.91484  0.360977  
1 1 1 20 17 32 o 2.55027  0.177799  6.57878      0.90687  6.2397       1.24389  6.96351      1.32496  2.46931  0.251871  2.60809  0.254009  
1 1 1 20 17 33 o 3.16519  0.150164  10.1114      0.950591 9.62845      1.34355  10.5955      1.34513  3.07256  0.218637  3.22603  0.208481  
1 1 1 20 17 34 o 3.14007  0.159244  9.98882      1.00008  9.25871      1.41481  10.7179      1.41383  3.00008  0.235796  3.2342   0.218575  
1 1 1 20 17 35 o 1.57436  0.326755  2.71998      0.994451 1.41997      1.31892  4.43277      1.51389  1.18998  0.430426  1.98765  0.394854  
1 1 1 20 17 36 o 1.64917  0.311951  2.98197      0.99146  3.73017      1.40285  2.23531      1.40142  1.80436  0.399355  1.39279  0.445706  
1 1 1 20 17 37 o 2.46148  0.203105  6.25076      0.999877 6.92639      1.444    5.62844      1.38587  2.55454  0.282635  2.29332  0.302153  
1 1 1 20 17 38 o 0.730211 0.323895  -0.154574    0.945481 -0.30642     1.30093  0.0154219    1.37649  0.826944 0.372691  0.897198 0.39529   
1 1 1 20 17 39 o 1.21827  0.365971  1.7719       0.96297  2.09827      1.3513   1.43515      1.37264  1.29649  0.438245  1.13657  0.433636  
1 1 1 20 17 40 o 0.945919 0.37264   0.872792     1.03448  0.0473643    1.44328  1.74486      1.4835   0.881935 0.39521   1.18682  0.451388  
1 1 1 20 17 41 o 0.662721 0.3102    -0.549748    1.02261  -2.23124     1.38698  1.45303      1.5137   0.622525 0.307053  1.08267  0.441741  
1 1 1 20 17 42 o 0.70026  0.32529   -0.309676    1.09663  -1.3522      1.49246  0.913689     1.61673  0.697224 0.338693  0.959309 0.424777  
1 1 1 20 17 43 o 0.737577 0.336658  0.0927385    1.11427  1.40707      1.59149  -1.17107     1.5606   0.980947 0.428666  0.702945 0.342641  
1 1 1 20 17 44 o 0.720211 0.331765  0.320042     1.11026  -1.24204     1.55509  1.9441       1.58564  0.651182 0.322133  0.956992 0.422604  
1 1 1 20 17 45 o 0.532655 0.265465  -1.35144     1.13799  -1.09391     1.60539  -1.61154     1.61337  0.622215 0.310829  0.596951 0.300381  
1 1 1 20 18 0  o 12.9109  0.129901  166.764      3.35351  166.764      3.35351  166.764      3.35351  12.9123  0.0918335 ?        ?         
1 1 1 20 18 1  o 25.4934  0.170127  650.212      8.67424  646.127      12.1898  654.402      12.3462  25.4073  0.239887  25.5693  0.241426  
1 1 1 20 18 2  f 13.5632  0.0933473 183.986      2.53218  184.661      3.59043  183.319      3.57173  13.5871  0.132126  13.5377  0.131918  
1 1 1 20 18 3  o 13.2342  0.0984153 175.17       2.6049   177.114      3.63034  173.108      3.73986  13.3065  0.136412  13.155   0.142146  
1 1 1 20 18 4  o 5.59219  0.0594605 31.2742      0.665029 31.5741      0.939433 30.9729      0.941556 5.61879  0.0835975 5.56503  0.0845957 
1 1 1 20 18 5  o 3.97216  0.0683923 15.7792      0.543331 14.6472      0.753728 17.0037      0.783934 3.82689  0.0984779 4.12327  0.0950621 
1 1 1 20 18 6  o 20.8856  0.155962  436.366      6.51474  427.072      9.14558  445.939      9.28241  20.6581  0.221356  21.1096  0.219862  
1 1 1 20 18 7  o 16.554   0.122167  274.094      4.0447   274.354      5.66405  273.824      5.7778   16.56    0.171016  16.5438  0.174621  
1 1 1 20 18 8  o 23.35    0.16159   545.433      7.54622  543.887      10.7607  546.93       10.5854  23.3119  0.230797  23.3774  0.226403  
1 1 1 20 18 9  f 20.9402  0.143823  438.63       6.02336  435.986      8.46958  441.336      8.5679   20.8737  0.202877  21.0013  0.203985  
1 1 1 20 18 10 o 7.90226  0.0742258 62.4512      1.1731   66.4181      1.76318  59.3005      1.57137  8.14894  0.108185  7.70002  0.102037  
1 1 1 20 18 11 o 5.45004  0.061716  29.705       0.672709 29.8543      0.958655 29.5601      0.944217 5.46353  0.0877323 5.43655  0.0868398 
1 1 1 20 18 12 o 5.1707   0.066515  26.7385      0.687858 26.0981      0.95342  27.4337      0.993366 5.10818  0.0933228 5.23725  0.0948366 
1 1 1 20 18 13 o 31.3233  0.209017  982.05       13.0942  987.356      18.6152  976.854      18.4224  31.3932  0.296484  31.2261  0.294984  
1 1 1 20 18 14 o 8.34156  0.073767  69.5899      1.23066  71.6641      1.773    67.6615      1.70958  8.46444  0.104732  8.22468  0.10393   
1 1 1 20 18 15 o 10.1975  0.113375  104.021      2.31229  106.575      3.23462  101.352      3.30671  10.3205  0.156709  10.0641  0.164283  
1 1 1 20 18 16 o 3.08065  0.117377  9.4939       0.723193 10.4897      1.02637  8.51198      1.01917  3.23769  0.158503  2.91633  0.174735  
1 1 1 20 18 17 o 6.86919  0.084703  47.1959      1.16368  48.6569      1.66804  45.8107      1.62423  6.97394  0.119591  6.76689  0.120013  
1 1 1 20 18 18 o 4.5584   0.0972808 20.786       0.886889 21.1923      1.23571  20.3543      1.27365  4.60203  0.134257  4.50997  0.141204  
1 1 1 20 18 19 o 6.05082  0.0941373 36.6269      1.13922  35.9119      1.5888   37.3835      1.63436  5.99028  0.132615  6.11174  0.133706  
1 1 1 20 18 20 o 9.47853  0.0881224 89.8795      1.67054  90.7775      2.35512  88.9701      2.36995  9.52389  0.123643  9.42848  0.12568   
1 1 1 20 18 21 o 6.50181  0.0946289 42.297       1.23052  40.4583      1.71125  44.2655      1.7707   6.35709  0.134594  6.64955  0.133145  
1 1 1 20 18 22 o 2.16192  0.193637  4.68699      0.837255 3.53432      1.14943  5.98982      1.22201  1.87333  0.306789  2.44164  0.250244  
1 1 1 20 18 23 o 1.23069  0.299788  1.58878      0.732097 2.06205      0.995869 1.03226      1.07991  1.40052  0.354928  1.09156  0.390008  
1 1 1 20 18 24 o 7.16188  0.0882712 51.3376      1.26438  52.4937      1.806    50.2262      1.77071  7.23888  0.124743  7.08078  0.125037  
1 1 1 20 18 25 o 5.70412  0.0899242 32.5729      1.02588  32.8354      1.41855  32.2852      1.48537  5.72421  0.123908  5.67537  0.130861  
1 1 1 20 18 26 o 4.31973  0.104614  18.6923      0.903805 18.7224      1.23548  18.6576      1.32562  4.3199   0.142999  4.31133  0.153736  
1 1 1 20 18 27 o 7.53491  0.0884663 56.8587      1.33317  55.9953      1.83681  57.8199      1.93803  7.47234  0.122908  7.59227  0.127632  
1 1 1 20 18 28 o 4.24311  0.106489  18.0477      0.903693 17.8542      1.25362  18.257       1.30389  4.21554  0.14869   4.26225  0.152959  
1 1 1 20 18 29 o 3.94078  0.123547  15.5911      0.97374  15.7226      1.37372  15.4583      1.38046  3.94982  0.173896  3.91607  0.176255  
1 1 1 20 18 30 o 1.39401  0.289974  2.06313      0.781667 1.44054      1.08682  2.7303       1.12506  1.19212  0.393025  1.59151  0.361587  
1 1 1 20 18 31 o 1.2852   0.348568  1.78158      0.918527 1.17513      1.23863  2.52257      1.36914  1.14019  0.416655  1.51577  0.431086  
1 1 1 20 18 32 o 4.38692  0.114534  19.3416      1.0049   19.2286      1.39614  19.4632      1.44755  4.36366  0.159974  4.38886  0.164912  
1 1 1 20 18 33 o 4.42609  0.124325  19.7281      1.10055  19.1036      1.50824  20.4393      1.60953  4.34103  0.173718  4.48824  0.179305  
1 1 1 20 18 34 o 2.5104   0.18957   6.42524      0.951796 7.28995      1.34988  5.57028      1.34224  2.65357  0.254351  2.3075   0.290844  
1 1 1 20 18 35 o 4.65217  0.133006  21.8779      1.23753  22.9135      1.69599  20.6987      1.80981  4.74002  0.178901  4.49347  0.201382  
1 1 1 20 18 36 o 0.561362 0.272443  -1.50252     0.961814 -1.7862      1.36256  -1.22079     1.35787  0.688928 0.332123  0.742405 0.349624  
1 1 1 20 18 37 o 1.19997  0.371585  1.62538      0.982687 1.21999      1.38776  2.03308      1.39171  1.13156  0.434765  1.32705  0.444749  
1 1 1 20 18 38 o 0.978946 0.364992  0.942264     0.957558 1.44117      1.35235  0.440633     1.35604  1.15912  0.43344   0.955925 0.40615   
1 1 1 20 18 39 o 0.932007 0.359492  0.832324     0.950865 0.798627     1.32744  0.867835     1.36271  0.995295 0.411078  1.0147   0.417418  
1 1 1 20 18 40 o 0.783356 0.345971  0.072473     1.06317  -0.0586829   1.48222  0.211457     1.52582  0.871057 0.394906  0.916663 0.408674  
1 1 1 20 18 41 o 1.53582  0.34263   2.94618      1.02539  2.76443      1.40222  3.15508      1.50328  1.38157  0.446207  1.461    0.461024  
1 1 1 20 18 42 o 1.28036  0.410947  2.45837      1.19072  1.98663      1.62359  3.00738      1.75152  1.11283  0.456342  1.28971  0.490486  
1 1 1 20 18 43 o 1.79593  0.327327  4.26069      1.13216  4.72387      1.62256  3.82121      1.58051  1.65754  0.468612  1.44943  0.473958  
1 1 1 20 18 44 o 1.23713  0.402185  2.78952      1.13807  2.19796      1.59413  3.40443      1.62527  0.980376 0.428714  1.17613  0.46589   
1 1 1 20 18 45 o 0.573581 0.282533  -0.700418    1.13311  1.07358      1.60727  -2.45335     1.5977   0.758359 0.364396  0.553636 0.281115  
1 1 1 20 19 0  o 10.8961  0.118003  118.78       2.57088  118.78       2.57088  118.78       2.57088  10.8974  0.0834203 ?        ?         
1 1 1 20 19 1  o 8.18939  0.0712009 67.071       1.16618  68.5208      1.69636  65.7719      1.60583  8.27708  0.102473  8.10939  0.0990102 
1 1 1 20 19 2  f 27.4271  0.182649  752.61       10.019   753.675      14.1759  751.548      14.1622  27.4395  0.258312  27.4008  0.258428  
1 1 1 20 19 3  o 10.2172  0.0757497 104.401      1.54791  102.994      2.16233  105.88       2.21682  10.1477  0.106543  10.2889  0.107729  
1 1 1 20 19 4  o 10.8317  0.0860643 117.338      1.86444  118.632      2.66151  116.091      2.61262  10.8906  0.122192  10.7734  0.121253  
1 1 1 20 19 5  o 20.5296  0.15174   421.608      6.23033  419.092      8.76518  424.178      8.85758  20.4647  0.214154  20.5884  0.215111  
1 1 1 20 19 6  o 27.7511  0.208086  770.62       11.5492  769.475      16.305   771.773      16.3614  27.7212  0.294088  27.7625  0.294667  
1 1 1 20 19 7  o 10.0345  0.0820539 100.701      1.64673  100.535      2.25486  100.889      2.41059  10.0258  0.112453  10.0433  0.12001   
1 1 1 20 19 8  o 18.6203  0.131821  346.805      4.9091   343.536      7.04168  349.896      6.84743  18.5296  0.190012  18.7007  0.18308   
1 1 1 20 19 9  o 9.02034  0.0716838 81.3733      1.29323  81.6845      1.83645  81.0672      1.82144  9.03718  0.101605  9.00298  0.101158  
1 1 1 20 19 10 o 2.72337  0.0818407 7.41765      0.445766 7.96845      0.634929 6.88226      0.625982 2.82252  0.112475  2.62307  0.119322  
1 1 1 20 19 11 o 9.36409  0.0735348 87.6955      1.37717  89.3188      1.97506  86.1593      1.92129  9.44985  0.104502  9.28123  0.103504  
1 1 1 20 19 12 o 18.1645  0.12447   330.056      4.52187  332.026      6.42837  328.126      6.36191  18.2157  0.176451  18.1084  0.175662  
1 1 1 20 19 13 o 17.1083  0.1181    292.782      4.04099  291.98       5.701    293.592      5.72876  17.0823  0.166869  17.1293  0.167221  
1 1 1 20 19 14 o 5.11564  0.0830381 26.174       0.849587 25.5937      1.21728  26.7251      1.18631  5.05818  0.120328  5.16884  0.114756  
1 1 1 20 19 15 f 16.8888  0.126295  285.348      4.26594  284.995      6.03022  285.702      6.03569  16.8749  0.178674  16.8958  0.178615  
1 1 1 20 19 16 o 3.66831  0.0975025 13.4601      0.715338 13.3186      1.01076  13.6022      1.01252  3.64846  0.138519  3.68712  0.137305  
1 1 1 20 19 17 o 4.25917  0.101246  18.1465      0.862449 17.326       1.23891  18.918       1.20133  4.16097  0.148873  4.34815  0.138142  
1 1 1 20 19 18 o 3.0237   0.12893   9.1488       0.779689 9.51468      1.11147  8.79431      1.09403  3.08258  0.180282  2.9635   0.184585  
1 1 1 20 19 19 o 4.41284  0.106404  19.4838      0.939086 19.9538      1.3344   19.0225      1.32182  4.46456  0.149444  4.35906  0.151617  
1 1 1 20 19 20 o 8.90869  0.0864864 79.3984      1.54096  78.9689      2.19991  79.8122      2.15916  8.88259  0.123833  8.93008  0.120892  
1 1 1 20 19 21 o 10.1328  0.10047   102.743      2.03608  103.565      2.83691  101.871      2.92397  10.17    0.139475  10.0859  0.144953  
1 1 1 20 19 22 o 1.19047  0.318195  1.4787       0.7724   3.12346      1.1402   0.0837713    1.05004  1.72977  0.341743  0.854833 0.36001   
1 1 1 20 19 23 o 0.666023 0.290496  -0.141525    0.728018 -0.0785515   0.978049 -0.219769    1.0902   0.792076 0.340966  0.811934 0.354799  
1 1 1 20 19 24 o 5.07442  0.0965505 25.7786      0.979875 26.3121      1.40234  25.2695      1.36974  5.12375  0.136847  5.02124  0.136395  
1 1 1 20 19 25 o 5.12526  0.0913704 26.2997      0.936595 25.6716      1.29947  26.9787      1.35113  5.06072  0.128388  5.18778  0.130222  
1 1 1 20 19 26 o 2.47728  0.153045  6.16112      0.758271 5.66817      1.03966  6.72136      1.10835  2.37115  0.219232  2.58249  0.214588  
1 1 1 20 19 27 o 4.792    0.0990806 23.0081      0.949589 24.0988      1.33318  21.8848      1.35288  4.90009  0.136037  4.66843  0.144896  
1 1 1 20 19 28 o 2.41645  0.167101  5.87607      0.807585 5.94863      1.10784  5.79379      1.17974  2.42479  0.228441  2.39071  0.246735  
1 1 1 20 19 29 o 2.0334   0.204288  4.18231      0.830798 2.78197      1.14662  5.72999      1.20544  1.6087   0.364722  2.37291  0.253999  
1 1 1 20 19 30 o 3.88719  0.115747  15.1739      0.899861 16.5224      1.25261  13.7357      1.29357  4.04947  0.154663  3.68825  0.175364  
1 1 1 20 19 31 o 0.837305 0.338617  0.353634     0.88032  0.396412     1.22415  0.307819     1.26687  0.960196 0.395419  0.955829 0.398591  
1 1 1 20 19 32 o 2.42632  0.173141  5.95698      0.84019  5.64282      1.18064  6.27932      1.19592  2.34614  0.251615  2.47735  0.241371  
1 1 1 20 19 33 o 3.22058  0.151953  10.4913      0.978754 10.5857      1.36377  10.3911      1.40551  3.21808  0.211891  3.18545  0.220615  
1 1 1 20 19 34 o 1.24114  0.341832  1.69701      0.875066 0.244483     1.24082  3.13422      1.23426  0.920161 0.389619  1.67426  0.377589  
1 1 1 20 19 35 o 2.56357  0.215758  6.76652      1.10622  6.94643      1.50355  6.55421      1.63337  2.56586  0.292991  2.47509  0.329961  
1 1 1 20 19 36 o 2.29988  0.215017  5.47297      0.989026 6.20924      1.37545  4.68474      1.42316  2.41968  0.284221  2.07493  0.342943  
1 1 1 20 19 37 o 1.68483  0.305038  3.13829      0.990116 4.63659      1.38529  1.57355      1.41568  2.05587  0.336912  1.2095   0.445101  
1 1 1 20 19 38 o 0.70814  0.317094  -0.209345    0.927588 -1.22034     1.28603  0.886989     1.3392   0.70398  0.335043  1.02985  0.417169  
1 1 1 20 19 39 o 1.4374   0.342074  2.44549      0.970515 3.20319      1.3684   1.67863      1.37666  1.58912  0.422972  1.18544  0.438501  
1 1 1 20 19 40 o 0.7467   0.332955  -0.0329705   1.01317  0.358021     1.41473  -0.444655    1.45168  0.908926 0.400563  0.810877 0.375745  
1 1 1 20 19 41 o 0.8848   0.359896  0.768615     1.00164  0.430212     1.38233  1.14272      1.45342  0.88877  0.393258  1.01392  0.425116  
1 1 1 20 19 42 o 0.888544 0.380054  0.861683     1.2015   0.743293     1.66825  0.989276     1.73188  0.91759  0.416942  0.952483 0.4296    
1 1 1 20 19 43 o 0.692341 0.322359  -0.0640626   1.08497  -0.300039    1.60596  0.134076     1.47158  0.760185 0.365024  0.781856 0.36706   
1 1 1 20 19 44 o 1.01167  0.397143  1.94137      1.17115  0.58733      1.6427   3.34106      1.67016  0.799067 0.379522  1.16273  0.467981  
1 1 1 20 20 0  o 30.949   0.41293   959.554      25.5493  959.554      25.5493  959.554      25.5493  30.9627  0.291798  ?        ?         
1 1 1 20 20 1  o 1.90496  0.128959  3.67895      0.486153 3.67895      0.486153 3.67895      0.486153 1.91162  0.0903741 ?        ?         
1 1 1 20 20 2  o 15.601   0.153937  243.504      4.80209  243.504      4.80209  243.504      4.80209  15.6028  0.108826  ?        ?         
1 1 1 20 20 3  o 3.46682  0.0850896 12.0412      0.589177 12.0412      0.589177 12.0412      0.589177 3.46843  0.0600983 ?        ?         
1 1 1 20 20 4  o 15.5084  0.169738  240.647      5.2633   240.647      5.2633   240.647      5.2633   15.5106  0.11999   ?        ?         
1 1 1 20 20 5  o 21.5313  0.224582  463.92       9.66869  463.92       9.66869  463.92       9.66869  21.535   0.158756  ?        ?         
1 1 1 20 20 6  o 20.2949  0.223948  412.189      9.08753  412.189      9.08753  412.189      9.08753  20.2986  0.158305  ?        ?         
1 1 1 20 20 7  o 4.34557  0.107492  18.9203      0.932936 18.9203      0.932936 18.9203      0.932936 4.34766  0.0759189 ?        ?         
1 1 1 20 20 8  o 32.0198  0.322189  1026.44      20.6281  1026.44      20.6281  1026.44      20.6281  32.0288  0.227732  ?        ?         
1 1 1 20 20 9  o 29.7839  0.280785  887.93       16.7224  887.93       16.7224  887.93       16.7224  29.791   0.198478  ?        ?         
1 1 1 20 20 10 o 6.7083   0.0937708 45.0315      1.25753  45.0315      1.25753  45.0315      1.25753  6.70943  0.0662802 ?        ?         
1 1 1 20 20 11 o 13.5179  0.135729  182.824      3.66871  182.824      3.66871  182.824      3.66871  13.5196  0.0959519 ?        ?         
1 1 1 20 20 12 o 6.04784  0.106641  36.6149      1.28899  36.6149      1.28899  36.6149      1.28899  6.04943  0.0753601 ?        ?         
1 1 1 20 20 13 o 9.07297  0.13686   82.3921      2.48219  82.3921      2.48219  82.3921      2.48219  9.07498  0.0967285 ?        ?         
1 1 1 20 20 14 o 13.2824  0.143128  176.527      3.80116  176.527      3.80116  176.527      3.80116  13.2844  0.101178  ?        ?         
1 1 1 20 20 15 o 10.9163  0.138238  119.254      3.01702  119.254      3.01702  119.254      3.01702  10.9183  0.0977136 ?        ?         
1 1 1 20 20 16 o 5.62285  0.115703  31.663       1.29992  31.663       1.29992  31.663       1.29992  5.62492  0.0817453 ?        ?         
1 1 1 20 20 17 o 3.80777  0.153047  14.5753      1.16126  14.5753      1.16126  14.5753      1.16126  3.81279  0.107877  ?        ?         
1 1 1 20 20 18 o 12.3303  0.15466   152.19       3.81267  152.19       3.81267  152.19       3.81267  12.3334  0.109315  ?        ?         
1 1 1 20 20 19 o 4.36997  0.14916   19.1744      1.30021  19.1744      1.30021  19.1744      1.30021  4.37443  0.105224  ?        ?         
1 1 1 20 20 20 o 9.52745  0.12478   90.8618      2.37675  90.8618      2.37675  90.8618      2.37675  9.52979  0.0881941 ?        ?         
1 1 1 20 20 21 o 9.84879  0.139983  97.1259      2.75607  97.1259      2.75607  97.1259      2.75607  9.852    0.0989282 ?        ?         
1 1 1 20 20 22 o 1.72337  0.335997  3.29978      1.03078  3.29978      1.03078  3.29978      1.03078  1.77798  0.211779  ?        ?         
1 1 1 20 20 23 o 1.7182   0.359376  3.32742      1.08771  3.32742      1.08771  3.32742      1.08771  1.78085  0.223909  ?        ?         
1 1 1 20 20 24 o 0.558701 0.369855  -0.152206    1.03508  -0.152206    1.03508  -0.152206    1.03508  0.461833 0.307485  ?        ?         
1 1 1 20 20 25 f 2.75625  0.204745  7.74522      1.11434  7.74522      1.11434  7.74522      1.11434  2.76987  0.143109  ?        ?         
1 1 1 20 20 26 o 0.423252 0.301765  -1.20913     1.02595  -1.20913     1.02595  -1.20913     1.02595  0.322117 0.233247  ?        ?         
1 1 1 20 20 27 o 3.19648  0.184491  10.3545      1.17046  10.3545      1.17046  10.3545      1.17046  3.20729  0.129504  ?        ?         
1 1 1 20 20 28 o 5.17655  0.141982  26.9215      1.46745  26.9215      1.46745  26.9215      1.46745  5.18259  0.100193  ?        ?         
1 1 1 20 20 29 o 1.25457  0.465341  2.15342      1.08027  2.15342      1.08027  2.15342      1.08027  1.35893  0.324154  ?        ?         
1 1 1 20 20 30 o 3.59354  0.177393  13.0739      1.26785  13.0739      1.26785  13.0739      1.26785  3.60469  0.124691  ?        ?         
1 1 1 20 20 31 o 2.22505  0.290166  5.2678       1.24213  5.2678       1.24213  5.2678       1.24213  2.26203  0.197613  ?        ?         
1 1 1 20 20 32 o 0.494935 0.343987  -0.79038     1.13288  -0.79038     1.13288  -0.79038     1.13288  0.389341 0.275101  ?        ?         
1 1 1 20 20 33 o 1.87805  0.388497  4.05225      1.28748  4.05225      1.28748  4.05225      1.28748  1.95672  0.240868  ?        ?         
1 1 1 20 20 34 o 3.09718  0.22048   9.87047      1.34983  9.87047      1.34983  9.87047      1.34983  3.11979  0.153824  ?        ?         
1 1 1 20 20 35 o 0.846907 0.4971    1.02025      1.39297  1.02025      1.39297  1.02025      1.39297  0.811087 0.439358  ?        ?         
1 1 1 20 20 36 o 2.01992  0.384734  4.67987      1.38849  4.67987      1.38849  4.67987      1.38849  2.10163  0.240769  ?        ?         
1 1 1 20 20 37 o 1.89447  0.431008  4.32058      1.42104  4.32058      1.42104  4.32058      1.42104  2.00234  0.260818  ?        ?         
1 1 1 20 20 38 o 0.558787 0.38407   -0.532287    1.32316  -0.532287    1.32316  -0.532287    1.32316  0.455549 0.316275  ?        ?         
1 1 1 20 20 39 o 1.58403  0.485213  3.41506      1.3404   3.41506      1.3404   3.41506      1.3404   1.73516  0.300025  ?        ?         
1 1 1 20 20 40 o 0.731246 0.465935  0.648122     1.45814  0.648122     1.45814  0.648122     1.45814  0.675293 0.412231  ?        ?         
1 1 1 20 20 41 o 0.774028 0.480861  0.980392     1.45255  0.980392     1.45255  0.980392     1.45255  0.74958  0.432649  ?        ?         
1 1 1 20 20 42 o 0.681269 0.453634  0.507931     1.59407  0.507931     1.59407  0.507931     1.59407  0.628093 0.404212  ?        ?         
1 1 1 20 20 43 o 0.56021  0.38949   -0.163843    1.46347  -0.163843    1.46347  -0.163843    1.46347  0.489894 0.337613  ?        ?         
1 1 1 20 20 44 o 0.434292 0.319629  -2.25457     1.60594  -2.25457     1.60594  -2.25457     1.60594  0.345991 0.256119  ?        ?         
1 1 1 21 0  0  o 4.93011  0.0940389 24.3352      0.926483 24.3352      0.926483 24.3352      0.926483 4.93159  0.0664482 ?        ?         
1 1 1 21 0  1  o 15.8098  0.168282  250.127      5.31967  250.127      5.31967  250.127      5.31967  15.8126  0.118957  ?        ?         
1 1 1 21 0  2  o 23.1188  0.237885  535.042      10.9966  535.042      10.9966  535.042      10.9966  23.1249  0.168146  ?        ?         
1 1 1 21 0  3  o 3.03738  0.067331  9.23983      0.408566 9.23983      0.408566 9.23983      0.408566 3.03855  0.0475654 ?        ?         
1 1 1 21 0  4  o 1.84156  0.101441  3.42257      0.371029 3.42257      0.371029 3.42257      0.371029 1.84584  0.0713091 ?        ?         
1 1 1 21 0  5  o 1.06374  0.180098  1.2245       0.350172 1.2245       0.350172 1.2245       0.350172 1.08803  0.116869  ?        ?         
1 1 1 21 0  6  o 4.20529  0.0732151 17.7019      0.615361 17.7019      0.615361 17.7019      0.615361 4.20633  0.0517404 ?        ?         
1 1 1 21 0  7  o 2.94994  0.088181  8.72642      0.519206 8.72642      0.519206 8.72642      0.519206 2.952    0.0622464 ?        ?         
1 1 1 21 0  8  o 19.9559  0.207313  398.6        8.2722   398.6        8.2722   398.6        8.2722   19.9604  0.146541  ?        ?         
1 1 1 21 0  9  o 5.28803  0.0790827 27.9843      0.835961 27.9843      0.835961 27.9843      0.835961 5.28902  0.0558953 ?        ?         
1 1 1 21 0  10 o 17.2652  0.173386  298.288      5.98571  298.288      5.98571  298.288      5.98571  17.2681  0.122568  ?        ?         
1 1 1 21 0  11 o 13.7025  0.134714  187.854      3.69102  187.854      3.69102  187.854      3.69102  13.7042  0.0952345 ?        ?         
1 1 1 21 0  12 f 5.26536  0.0899069 27.7508      0.946162 27.7508      0.946162 27.7508      0.946162 5.26663  0.0635375 ?        ?         
1 1 1 21 0  13 o 18.4919  0.17792   342.146      6.57876  342.146      6.57876  342.146      6.57876  18.4945  0.125777  ?        ?         
1 1 1 21 0  14 o 1.51248  0.25298   2.47184      0.7008   2.47184      0.7008   2.47184      0.7008   1.54633  0.164487  ?        ?         
1 1 1 21 0  15 o 1.36381  0.306319  2.11891      0.728043 2.11891      0.728043 2.11891      0.728043 1.41895  0.188865  ?        ?         
1 1 1 21 0  16 o 5.35637  0.104703  28.7259      1.12069  28.7259      1.12069  28.7259      1.12069  5.35802  0.0739812 ?        ?         
1 1 1 21 0  17 o 27.7452  0.26293   770.419      14.5872  770.419      14.5872  770.419      14.5872  27.7507  0.185864  ?        ?         
1 1 1 21 0  18 o 7.159    0.103102  51.2882      1.47553  51.2882      1.47553  51.2882      1.47553  7.16029  0.072874  ?        ?         
1 1 1 21 0  19 o 15.6364  0.165294  244.649      5.16792  244.649      5.16792  244.649      5.16792  15.6388  0.116848  ?        ?         
1 1 1 21 0  20 o 12.4692  0.135855  155.567      3.38709  155.567      3.38709  155.567      3.38709  12.4709  0.0960378 ?        ?         
1 1 1 21 0  21 f 12.6547  0.175844  160.298      4.44858  160.298      4.44858  160.298      4.44858  12.6578  0.124283  ?        ?         
1 1 1 21 0  22 o 9.73209  0.127505  94.7852      2.48081  94.7852      2.48081  94.7852      2.48081  9.73393  0.090125  ?        ?         
1 1 1 21 0  23 o 0.939196 0.517244  1.24689      1.38448  1.24689      1.38448  1.24689      1.38448  0.916775 0.451253  ?        ?         
1 1 1 21 0  24 o 5.52252  0.142075  30.5734      1.56687  30.5734      1.56687  30.5734      1.56687  5.52593  0.100324  ?        ?         
1 1 1 21 0  25 o 2.9271   0.223705  8.72942      1.29203  8.72942      1.29203  8.72942      1.29203  2.94112  0.156324  ?        ?         
1 1 1 21 0  26 o 11.7282  0.147768  137.726      3.46487  137.726      3.46487  137.726      3.46487  11.7319  0.104436  ?        ?         
1 1 1 21 0  27 o 1.99512  0.347468  4.34463      1.26049  4.34463      1.26049  4.34463      1.26049  2.04608  0.223929  ?        ?         
1 1 1 21 0  28 o 4.9071   0.161197  24.1938      1.57815  24.1938      1.57815  24.1938      1.57815  4.91292  0.113707  ?        ?         
1 1 1 21 0  29 o 0.747204 0.45509   0.559308     1.25029  0.559308     1.25029  0.559308     1.25029  0.674652 0.39601   ?        ?         
1 1 1 21 0  30 o 5.20839  0.147096  27.243       1.5295   27.243       1.5295   27.243       1.5295   5.21394  0.103807  ?        ?         
1 1 1 21 0  31 o 2.09716  0.321918  4.73818      1.25485  4.73818      1.25485  4.73818      1.25485  2.1412   0.211967  ?        ?         
1 1 1 21 0  32 o 1.80799  0.419406  3.80329      1.31759  3.80329      1.31759  3.80329      1.31759  1.89291  0.256573  ?        ?         
1 1 1 21 0  33 o 5.11766  0.161777  26.3699      1.65209  26.3699      1.65209  26.3699      1.65209  5.12647  0.114066  ?        ?         
1 1 1 21 0  34 o 4.09018  0.198574  16.9631      1.61568  16.9631      1.61568  16.9631      1.61568  4.10446  0.139538  ?        ?         
1 1 1 21 0  35 o 5.30275  0.169078  28.3593      1.78903  28.3593      1.78903  28.3593      1.78903  5.31407  0.119162  ?        ?         
1 1 1 21 0  36 o 1.2136   0.536295  2.23283      1.35923  2.23283      1.35923  2.23283      1.35923  1.31487  0.416752  ?        ?         
1 1 1 21 0  37 f 2.70195  0.284103  7.699        1.49642  7.699        1.49642  7.699        1.49642  2.73954  0.195405  ?        ?         
1 1 1 21 0  38 o 0.744469 0.474323  0.396463     1.51084  0.396463     1.51084  0.396463     1.51084  0.65717  0.410115  ?        ?         
1 1 1 21 0  39 o 0.813052 0.504825  0.748332     1.59923  0.748332     1.59923  0.748332     1.59923  0.745783 0.443284  ?        ?         
1 1 1 21 0  40 o 0.864265 0.507727  1.12398      1.45515  1.12398      1.45515  1.12398      1.45515  0.837351 0.450363  ?        ?         
1 1 1 21 0  41 f 2.09683  0.404737  5.18146      1.51307  5.18146      1.51307  5.18146      1.51307  2.19838  0.250762  ?        ?         
1 1 1 21 0  42 o 1.30157  0.562208  2.79321      1.49602  2.79321      1.49602  2.79321      1.49602  1.46449  0.417255  ?        ?         
1 1 1 21 0  43 o 0.636003 0.429118  -0.0685815   1.52729  -0.0685815   1.52729  -0.0685815   1.52729  0.547174 0.366613  ?        ?         
1 1 1 21 0  44 o 0.664392 0.447901  0.138024     1.65774  0.138024     1.65774  0.138024     1.65774  0.587003 0.390402  ?        ?         
1 1 1 21 0  45 o 0.910504 0.539574  1.9199       1.66714  1.9199       1.66714  1.9199       1.66714  0.986265 0.493578  ?        ?         
1 1 1 21 0  46 o 0.747157 0.497061  1.37859      1.90356  1.37859      1.90356  1.37859      1.90356  0.759101 0.467152  ?        ?         
1 1 1 21 0  47 o 0.718559 0.487204  1.75962      2.00561  1.75962      2.00561  1.75962      2.00561  0.760931 0.473954  ?        ?         
1 1 1 21 1  0  o 1.05584  0.172233  1.20074      0.334497 1.20074      0.334497 1.20074      0.334497 1.07845  0.11246   ?        ?         
1 1 1 21 1  1  o 10.6113  0.0755836 112.617      1.60409  113.093      2.25115  112.126      2.2863   10.633   0.105857  10.5874  0.107973  
1 1 1 21 1  2  o 9.83932  0.0706643 96.825       1.39058  98.0848      1.92856  95.4606      2.00692  9.90254  0.0973772 9.76904  0.102718  
1 1 1 21 1  3  o 21.8705  0.146984  478.591      6.42922  478.374      8.99303  478.817      9.19489  21.8595  0.205701  21.8691  0.210226  
1 1 1 21 1  4  o 2.79887  0.0507023 7.83423      0.283818 7.4611       0.390201 8.2534       0.413578 2.73131  0.071431  2.87267  0.0719848 
1 1 1 21 1  5  o 18.0871  0.126551  327.286      4.57789  324.883      6.42996  329.757      6.5192   18.0167  0.178444  18.1512  0.17958   
1 1 1 21 1  6  o 6.96302  0.0618309 48.4888      0.861059 48.9837      1.2155   47.9903      1.21995  6.9981   0.0868453 6.92676  0.0880608 
1 1 1 21 1  7  o 17.8876  0.13353   320.128      4.77708  316.408      6.76787  323.821      6.7438   17.7788  0.190335  17.9861  0.187472  
1 1 1 21 1  8  o 12.0694  0.0869758 145.7        2.09949  145.529      2.93952  145.879      2.99965  12.0611  0.12186   12.0755  0.124204  
1 1 1 21 1  9  o 8.37583  0.0721778 70.164       1.2091   67.8093      1.66634  72.7822      1.75712  8.23355  0.101192  8.53007  0.102995  
1 1 1 21 1  10 o 11.6271  0.0885605 135.216      2.05941  136.903      3.01852  133.748      2.81682  11.6981  0.129017  11.5628  0.121805  
1 1 1 21 1  11 o 14.2677  0.0987745 203.614      2.81857  206.487      4.03537  200.877      3.9385   14.3662  0.140446  14.1698  0.138975  
1 1 1 21 1  12 o 13.5228  0.0980531 182.904      2.65191  184.71       3.73974  181.078      3.76107  13.588   0.137612  13.4536  0.139779  
1 1 1 21 1  13 o 13.6983  0.0998806 187.676      2.73638  184.965      3.77706  190.671      3.96979  13.5978  0.138885  13.8058  0.143773  
1 1 1 21 1  14 o 7.94317  0.0719907 63.099       1.14367  62.3634      1.6182   63.833       1.61659  7.8964   0.102464  7.98891  0.101177  
1 1 1 21 1  15 o 10.1073  0.0812097 102.167      1.64162  100.238      2.30962  104.137      2.33377  10.0109  0.115355  10.2037  0.114359  
1 1 1 21 1  16 o 12.584   0.097488  158.379      2.45358  156.835      3.39291  160.071      3.55234  12.5216  0.135482  12.65    0.140408  
1 1 1 21 1  17 o 15.3274  0.108134  234.972      3.31481  235.814      4.69239  234.134      4.68333  15.3533  0.152814  15.2985  0.153065  
1 1 1 21 1  18 o 6.66878  0.0733381 44.4772      0.978151 43.8643      1.35994  45.1341      1.40793  6.62234  0.102678  6.71749  0.104796  
1 1 1 21 1  19 o 13.5684  0.100617  184.14       2.73043  184.806      3.87037  183.48       3.8525   13.5914  0.142383  13.5426  0.142236  
1 1 1 21 1  20 o 2.51197  0.156554  6.31348      0.786519 6.75062      1.11211  5.87603      1.1125   2.59684  0.214128  2.4226   0.229609  
1 1 1 21 1  21 o 11.8912  0.108534  141.444      2.58121  142.334      3.62417  140.529      3.67716  11.9267  0.151935  11.8507  0.155145  
1 1 1 21 1  22 o 9.99813  0.0940113 99.9896      1.87987  99.8839      2.63226  100.1        2.68563  9.99154  0.131724  10.0022  0.134252  
1 1 1 21 1  23 o 8.86899  0.0982801 78.6884      1.74329  78.8423      2.41357  78.5205      2.52069  8.87611  0.135959  8.85768  0.142288  
1 1 1 21 1  24 o 4.55312  0.110107  20.7433      1.00266  21.416       1.43961  20.1096      1.39728  4.62497  0.155635  4.48168  0.155888  
1 1 1 21 1  25 o 2.36716  0.189812  5.61564      0.898635 4.83723      1.26731  6.40284      1.27444  2.19383  0.288836  2.52551  0.252313  
1 1 1 21 1  26 o 2.39588  0.200845  5.7576       0.9624   5.39062      1.32522  6.16713      1.39993  2.31459  0.286276  2.47588  0.282714  
1 1 1 21 1  27 o 3.76549  0.131829  14.204       0.992803 14.3578      1.40779  14.0519      1.40032  3.78256  0.186089  3.74198  0.187109  
1 1 1 21 1  28 o 5.01277  0.112881  25.1662      1.13169  26.17        1.64923  24.273       1.55576  5.10766  0.161447  4.91937  0.158126  
1 1 1 21 1  29 o 6.80368  0.0960563 46.3523      1.30707  46.3077      1.83922  46.3978      1.85788  6.79584  0.135319  6.80228  0.136563  
1 1 1 21 1  30 o 3.25394  0.139667  10.6248      0.908938 10.4702      1.28837  10.778       1.28251  3.2243   0.199791  3.2718   0.195995  
1 1 1 21 1  31 o 1.30985  0.329346  1.82215      0.862565 2.33344      1.22106  1.31288      1.21864  1.47835  0.402313  1.186    0.415235  
1 1 1 21 1  32 o 3.4558   0.143957  12.0047      0.994977 10.8151      1.38801  13.2622      1.42702  3.27024  0.212218  3.62419  0.196875  
1 1 1 21 1  33 o 3.70778  0.138609  13.827       1.02786  13.2677      1.4602   14.3763      1.44712  3.62051  0.201657  3.77087  0.191881  
1 1 1 21 1  34 o 1.881    0.263281  3.62686      0.990465 3.63787      1.40404  3.61596      1.39744  1.82397  0.39599   1.81861  0.395259  
1 1 1 21 1  35 o 2.05266  0.247942  4.31542      1.01788  5.40316      1.45607  3.27584      1.42348  2.27913  0.319436  1.71947  0.417514  
1 1 1 21 1  36 o 2.00245  0.244288  4.12871      0.978351 4.5766       1.37727  3.67249      1.39002  2.08394  0.330448  1.81756  0.393496  
1 1 1 21 1  37 o 2.94894  0.188055  8.87264      1.10913  10.2406      1.50108  7.22776      1.64601  3.14902  0.238341  2.61493  0.314733  
1 1 1 21 1  38 o 1.44612  0.373339  2.36323      1.08688  2.24216      1.62176  2.46194      1.46442  1.40733  0.480104  1.45851  0.454008  
1 1 1 21 1  39 o 0.669763 0.314264  -0.933781    1.07334  0.535296     1.48774  -2.52848     1.55005  1.02251  0.429475  0.690962 0.337702  
1 1 1 21 1  40 o 1.35393  0.382163  2.13785      1.07997  1.39212      1.50176  2.93657      1.5542   1.17535  0.452108  1.5454   0.465078  
1 1 1 21 1  41 o 0.805065 0.34963   0.1286       1.04575  -0.121727    1.47186  0.383782     1.48607  0.884311 0.397599  0.961466 0.417158  
1 1 1 21 1  42 o 1.07538  0.378954  1.35572      1.01642  2.3419       1.42393  0.331222     1.45132  1.33354  0.449869  0.928678 0.407559  
1 1 1 21 1  43 o 2.12131  0.258545  5.04492      1.09691  5.10621      1.53606  4.98114      1.56693  1.97267  0.403265  1.92857  0.418013  
1 1 1 21 1  44 o 1.80975  0.357192  4.27111      1.24683  5.16265      1.79347  3.43718      1.73457  1.7978   0.486831  1.40861  0.495181  
1 1 1 21 1  45 o 0.672477 0.31934   -0.510568    1.16256  0.47037      1.64148  -1.49782     1.64676  0.864398 0.400166  0.69684  0.34264   
1 1 1 21 1  46 o 1.00434  0.410906  2.05294      1.31336  3.18365      1.86314  0.936128     1.85166  1.08266  0.468378  0.83659  0.399344  
1 1 1 21 1  47 o 0.624096 0.308642  -0.616892    1.42492  0.384266     2.01598  -1.61638     2.0143   0.721194 0.358575  0.633983 0.320582  
1 1 1 21 2  0  o 25.6118  0.240076  656.635      12.2951  656.635      12.2951  656.635      12.2951  25.6183  0.169699  ?        ?         
1 1 1 21 2  1  o 4.23469  0.0431433 17.9334      0.365397 18.1545      0.521198 17.7198      0.512413 4.2606   0.0611649 4.20928  0.060867  
1 1 1 21 2  2  o 0.686378 0.165999  0.490562     0.225711 0.567838     0.31736  0.411463     0.321081 0.742354 0.206402  0.654243 0.213623  
1 1 1 21 2  3  o 17.3239  0.119646  300.232      4.14546  299.28       5.65913  301.334      6.08963  17.2935  0.16362   17.3518  0.175476  
1 1 1 21 2  4  o 5.64746  0.0498553 31.896       0.563112 32.634       0.785089 31.1139      0.808132 5.71225  0.0687198 5.57759  0.0724446 
1 1 1 21 2  5  f 12.3139  0.0914341 151.666      2.25182  151.187      3.1383   152.174      3.2329   12.2931  0.127645  12.333   0.131067  
1 1 1 21 2  6  o 6.71298  0.060113  45.0686      0.807074 45.5103      1.15394  44.6456      1.12921  6.74544  0.0855348 6.68107  0.0845082 
1 1 1 21 2  7  o 4.23042  0.0531524 17.8978      0.449714 16.7139      0.626283 19.1581      0.646166 4.08793  0.0766015 4.37667  0.0738193 
1 1 1 21 2  8  o 13.2005  0.0950908 174.294      2.51048  174.271      3.55295  174.316      3.54778  13.198   0.134602  13.1997  0.134388  
1 1 1 21 2  9  o 3.3618   0.0639709 11.3029      0.430115 11.2792      0.612097 11.326       0.604523 3.35809  0.0911376 3.36507  0.0898233 
1 1 1 21 2  10 o 16.7232  0.117557  279.759      3.93185  281.368      5.64976  278.247      5.4753   16.7682  0.168467  16.6752  0.164175  
1 1 1 21 2  11 o 3.2625   0.0719958 10.6452      0.469773 11.1091      0.674208 10.2075      0.65493  3.33263  0.101153  3.19451  0.102509  
1 1 1 21 2  12 o 7.54114  0.0660265 56.8738      0.995829 56.1797      1.39337  57.5985      1.42375  7.49464  0.0929576 7.58868  0.0938078 
1 1 1 21 2  13 o 13.4773  0.0996853 181.667      2.68697  183.635      3.83404  179.769      3.76675  13.5488  0.14149   13.4055  0.140493  
1 1 1 21 2  14 o 5.23153  0.0670378 27.3708      0.701421 26.9943      0.978064 27.7694      1.00646  5.19526  0.0941305 5.2693   0.0955025 
1 1 1 21 2  15 o 5.94533  0.0692642 35.3494      0.823597 34.6372      1.1535   36.0902      1.17632  5.88491  0.0980046 6.00708  0.0979114 
1 1 1 21 2  16 o 13.8454  0.101188  191.724      2.80196  192.743      3.88784  190.622      4.04179  13.8811  0.140041  13.8043  0.146396  
1 1 1 21 2  17 o 14.125   0.102171  199.55       2.88633  197.114      4.07852  201.994      4.08526  14.0372  0.145275  14.21    0.143746  
1 1 1 21 2  18 o 14.3922  0.103652  207.18       2.98356  205.21       4.18173  209.222      4.25808  14.3221  0.145988  14.4614  0.147222  
1 1 1 21 2  19 o 10.1649  0.0942485 103.345      1.91606  97.2604      2.61917  110.351      2.81035  9.86021  0.132815  10.5028  0.133791  
1 1 1 21 2  20 o 6.26264  0.0883339 39.2277      1.10641  39.8993      1.54952  38.5292      1.58032  6.31548  0.122677  6.20601  0.127322  
1 1 1 21 2  21 o 9.9459   0.0989871 98.9469      1.96903  101.569      2.81962  96.4509      2.75091  10.0755  0.139925  9.81833  0.14009   
1 1 1 21 2  22 o 16.3937  0.132815  268.904      4.35468  273.525      6.24319  264.525      6.07707  16.5293  0.188852  16.2553  0.186926  
1 1 1 21 2  23 o 2.15795  0.215862  4.66556      0.93164  3.09606      1.30812  6.2811       1.32716  1.72026  0.389247  2.5026   0.265157  
1 1 1 21 2  24 o 0.848224 0.339523  0.348494     0.872258 1.48516      1.25206  -0.723375    1.21585  1.25442  0.421846  0.785567 0.356684  
1 1 1 21 2  25 o 5.39656  0.0999374 29.1409      1.07864  28.9329      1.52115  29.3514      1.52974  5.37556  0.141487  5.41431  0.141268  
1 1 1 21 2  26 o 8.85869  0.0940109 78.5302      1.66563  78.9861      2.34335  78.0646      2.36795  8.88134  0.131925  8.82919  0.134098  
1 1 1 21 2  27 o 7.22082  0.0952711 52.1895      1.37587  52.0509      1.92568  52.3341      1.96652  7.20798  0.133579  7.22731  0.136047  
1 1 1 21 2  28 o 6.28459  0.0990205 39.5439      1.24461  40.6161      1.80499  38.572       1.71847  6.36516  0.141787  6.20327  0.138513  
1 1 1 21 2  29 f 4.07846  0.121724  16.6705      0.992892 16.4471      1.37965  16.9105      1.43003  4.04668  0.170466  4.1029   0.174271  
1 1 1 21 2  30 o 4.79413  0.107196  23.0316      1.02782  22.0667      1.43499  24.0481      1.47287  4.68753  0.153065  4.89381  0.150483  
1 1 1 21 2  31 o 4.13461  0.11787   17.145       0.974693 17.1116      1.36864  17.1795      1.38842  4.12477  0.165905  4.13265  0.167982  
1 1 1 21 2  32 o 1.7692   0.261021  3.18509      0.923594 2.6305       1.29944  3.7513       1.31298  1.56     0.41079   1.87641  0.362813  
1 1 1 21 2  33 o 1.33948  0.345321  1.92884      0.930747 2.45855      1.33259  1.42429      1.30055  1.5044   0.424474  1.21888  0.428747  
1 1 1 21 2  34 o 3.71158  0.14686   13.883       1.09016  14.8521      1.53379  12.8935      1.54979  3.82606  0.200439  3.56029  0.217649  
1 1 1 21 2  35 o 1.48994  0.337959  2.40532      0.984139 1.28347      1.42323  3.43324      1.36233  1.19696  0.445235  1.7673   0.395396  
1 1 1 21 2  36 o 2.21082  0.225757  5.01228      0.99822  7.09012      1.41705  2.96555      1.4064   2.61544  0.270901  1.62014  0.4277    
1 1 1 21 2  37 o 3.29394  0.169187  11.0298      1.11458  8.24625      1.58052  13.7835      1.57204  2.80781  0.28145   3.66401  0.214524  
1 1 1 21 2  38 f 1.61377  0.352906  2.91124      1.10768  2.92871      1.63813  2.89652      1.5035   1.57321  0.47828   1.5714   0.453314  
1 1 1 21 2  39 o 1.06494  0.390421  1.12246      1.08833  1.1677       1.5638   1.07997      1.51558  1.15388  0.457021  1.12858  0.448999  
1 1 1 21 2  40 o 1.24534  0.388419  1.79062      1.07116  0.454829     1.47148  3.29638      1.56229  0.993121 0.422552  1.63766  0.458808  
1 1 1 21 2  41 o 0.763662 0.338907  -0.0829543   1.03695  0.774153     1.43941  -1.00769     1.49511  1.01569  0.424295  0.784492 0.368692  
1 1 1 21 2  42 o 0.734989 0.331393  -0.181615    1.02971  -0.0961515   1.41816  -0.276915    1.49755  0.857295 0.387595  0.853926 0.389982  
1 1 1 21 2  43 o 1.5484   0.351749  3.01315      1.06478  3.97417      1.48837  2.00569      1.52391  1.68894  0.437288  1.19136  0.456215  
1 1 1 21 2  44 o 1.01298  0.400989  1.38713      1.20323  1.80383      1.76905  1.02841      1.64136  1.09078  0.463684  0.973554 0.429935  
1 1 1 21 2  45 o 0.697503 0.328773  -0.362846    1.20595  -1.30317     1.71629  0.554124     1.69484  0.721068 0.353099  0.875722 0.405872  
1 1 1 21 2  46 o 0.717911 0.340313  0.129221     1.3151   1.79648      1.8608   -1.5346      1.85887  0.908931 0.422803  0.673422 0.336134  
1 1 1 21 2  47 o 0.747555 0.354047  0.915433     1.42053  0.453826     1.99315  1.39196      2.0251   0.723792 0.359408  0.777328 0.381493  
1 1 1 21 3  0  o 6.05177  0.0683097 36.6402      0.826551 36.6402      0.826551 36.6402      0.826551 6.05244  0.0482899 ?        ?         
1 1 1 21 3  1  o 11.6824  0.0798711 136.502      1.86617  138.226      2.67059  134.856      2.60882  11.7549  0.113595  11.6108  0.112345  
1 1 1 21 3  2  o 24.6187  0.165056  606.524      8.12691  609.942      11.4354  603.037      11.5518  24.6791  0.231683  24.5385  0.235382  
1 1 1 21 3  3  o 14.6892  0.103547  215.836      3.04204  216.983      4.31925  214.708      4.28515  14.726   0.146654  14.6487  0.146264  
1 1 1 21 3  4  o 9.39341  0.0711835 88.2485      1.33731  86.5984      1.85895  90.0185      1.92529  9.30455  0.0998945 9.48647  0.101476  
1 1 1 21 3  5  o 3.79736  0.0524634 14.4211      0.398446 13.9098      0.544197 15.0119      0.584986 3.7293   0.0729623 3.87421  0.0754974 
1 1 1 21 3  6  o 7.19024  0.0594947 51.7047      0.855562 51.5827      1.19767  51.8319      1.22261  7.18141  0.0833871 7.19871  0.0849185 
1 1 1 21 3  7  o 11.7992  0.0877781 139.25       2.07143  140.006      2.94858  138.513      2.91067  11.83    0.124623  11.7667  0.123682  
1 1 1 21 3  8  o 7.61694  0.0624461 58.0236      0.951296 58.2237      1.35128  57.827       1.33947  7.62967  0.0885545 7.60364  0.0880807 
1 1 1 21 3  9  o 9.17358  0.0715044 84.1652      1.3119   84.9685      1.87291  83.3914      1.8382   9.21664  0.101605  9.13073  0.10066   
1 1 1 21 3  10 o 14.3065  0.101919  204.727      2.91622  206.559      4.20726  203.033      4.0458   14.3684  0.146406  14.2455  0.142003  
1 1 1 21 3  11 o 5.1503   0.0604931 26.5278      0.623114 26.6402      0.884677 26.4171      0.877797 5.16097  0.0857085 5.13932  0.0854001 
1 1 1 21 3  12 o 7.78267  0.0660261 60.575       1.02772  60.5601      1.46439  60.5895      1.44268  7.78136  0.0940958 7.78328  0.0926784 
1 1 1 21 3  13 o 20.2426  0.14844   409.91       6.00962  409.809      8.59685  410.007      8.4042   20.2361  0.212414  20.2413  0.2076    
1 1 1 21 3  14 o 18.252   0.127507  333.216      4.65451  330.49       6.67128  335.802      6.49712  18.1748  0.183531  18.3206  0.177317  
1 1 1 21 3  15 o 27.3751  0.191788  749.805      10.5004  752.844      14.8923  746.8        14.8078  27.4227  0.271532  27.3125  0.271082  
1 1 1 21 3  16 o 9.81061  0.085482  96.2586      1.67726  93.9729      2.20428  99.402       2.58496  9.693    0.113705  9.96877  0.129653  
1 1 1 21 3  17 o 3.79813  0.0846962 14.4276      0.643375 13.7721      0.905052 15.0972      0.914763 3.7106   0.121955  3.88504  0.117729  
1 1 1 21 3  18 o 9.63682  0.0804286 92.8805      1.55015  92.4276      2.17715  93.3461      2.20766  9.61267  0.113244  9.6603   0.114265  
1 1 1 21 3  19 o 4.41473  0.0924435 19.4935      0.816227 19.4719      1.13988  19.5162      1.16933  4.4119   0.129182  4.41688  0.13237   
1 1 1 21 3  20 o 4.11073  0.114819  16.9035      0.943979 16.452       1.27887  17.4439      1.3992   4.0549   0.157695  4.17517  0.167562  
1 1 1 21 3  21 o 9.48091  0.0920055 89.9087      1.74459  89.0134      2.46916  90.8012      2.46529  9.43244  0.130887  9.52675  0.129388  
1 1 1 21 3  22 o 3.82736  0.13309   14.6571      1.01877  14.7996      1.46242  14.5228      1.42002  3.84477  0.190183  3.80873  0.186417  
1 1 1 21 3  23 o 5.79536  0.0999992 33.6006      1.15906  36.4347      1.65937  30.9005      1.61968  6.03364  0.13751   5.55626  0.145752  
1 1 1 21 3  24 o 6.1783   0.0935125 38.1891      1.1555   37.1282      1.61896  39.2907      1.64972  6.09046  0.132909  6.26537  0.131653  
1 1 1 21 3  25 o 6.07073  0.0967509 36.8759      1.1747   36.2944      1.63368  37.4985      1.69032  6.02089  0.135667  6.11981  0.138102  
1 1 1 21 3  26 o 5.78609  0.101147  33.5066      1.17049  35.3014      1.6604   31.7336      1.6503   5.93676  0.139841  5.62832  0.146607  
1 1 1 21 3  27 o 8.76692  0.0966932 76.9354      1.6954   74.4596      2.35916  79.5797      2.43811  8.62046  0.136835  8.91192  0.13679   
1 1 1 21 3  28 o 2.24873  0.208323  5.08482      0.936927 2.98787      1.31023  7.27916      1.34031  1.67888  0.396134  2.68733  0.249377  
1 1 1 21 3  29 o 4.74122  0.112156  22.5222      1.06351  23.2598      1.48365  21.7425      1.52529  4.81406  0.154095  4.65329  0.163894  
1 1 1 21 3  30 o 1.69861  0.256136  2.92049      0.870152 1.60508      1.202    4.3689       1.2613   1.26585  0.413327  2.07239  0.304311  
1 1 1 21 3  31 o 8.32035  0.0945494 69.3611      1.57337  69.2189      2.18733  69.5135      2.26486  8.30445  0.131696  8.32107  0.136092  
1 1 1 21 3  32 o 0.777237 0.330911  0.0348839    0.903467 -1.16452     1.26785  1.27229      1.28777  0.738323 0.345553  1.1834   0.425584  
1 1 1 21 3  33 o 1.27239  0.359013  1.73227      0.953262 2.78366      1.34463  0.669909     1.35163  1.59612  0.416752  1.05631  0.422716  
1 1 1 21 3  34 o 2.7881   0.189777  7.87416      1.05824  7.31805      1.46173  8.48666      1.53403  2.66919  0.273815  2.87638  0.26666   
1 1 1 21 3  35 o 1.62868  0.306889  2.8327       0.963028 3.20698      1.33989  2.43275      1.38509  1.7057   0.399392  1.48602  0.437182  
1 1 1 21 3  36 o 2.80041  0.180978  7.97155      1.01362  8.09973      1.44564  7.84759      1.42162  2.79957  0.25819   2.75574  0.257938  
1 1 1 21 3  37 o 0.552092 0.270659  -1.88918     1.01467  -1.89195     1.43187  -1.88638     1.43807  0.710304 0.341946  0.712983 0.343101  
1 1 1 21 3  38 o 1.00119  0.384588  0.854193     1.0857   -0.461698    1.60034  1.97628      1.4778   0.911486 0.411936  1.33257  0.458145  
1 1 1 21 3  39 f 1.61071  0.34703   2.92218      1.08599  3.74328      1.60534  2.22936      1.47463  1.76887  0.45204   1.38334  0.457807  
1 1 1 21 3  40 o 2.01932  0.271034  4.34608      1.09461  5.96235      1.46518  2.30454      1.64669  2.34096  0.312943  1.38445  0.482876  
1 1 1 21 3  41 o 1.07825  0.384897  1.31267      1.05158  1.4354       1.42864  1.16754      1.55352  1.14114  0.440546  1.1024   0.448275  
1 1 1 21 3  42 o 1.04222  0.390852  1.23096      1.10122  1.69103      1.52409  0.728402     1.5929   1.17395  0.454649  1.00904  0.434759  
1 1 1 21 3  43 f 0.789094 0.346479  0.225296     1.05001  -0.668439    1.45388  1.19972      1.51809  0.770824 0.362647  1.03592  0.434412  
1 1 1 21 3  44 o 0.743437 0.342006  -0.0977129   1.17535  -1.01378     1.71292  0.717346     1.61572  0.764669 0.369475  0.923153 0.415735  
1 1 1 21 3  45 o 0.919369 0.387282  1.14432      1.21564  0.212317     1.7922   1.93852      1.65441  0.848104 0.400063  1.05059  0.447558  
1 1 1 21 3  46 o 0.680279 0.327578  -0.274968    1.31619  1.58478      1.87424  -2.08448     1.84876  0.890797 0.41749   0.646962 0.325283  
1 1 1 21 4  0  o 3.74038  0.0702667 14.0062      0.52523  14.0062      0.52523  14.0062      0.52523  3.74144  0.0496522 ?        ?         
1 1 1 21 4  1  o 7.74709  0.0596607 60.0232      0.924394 60.4225      1.30116  59.6163      1.31351  7.77245  0.0837033 7.7204   0.0850674 
1 1 1 21 4  2  o 6.55172  0.0537712 42.9284      0.704588 42.2713      0.976943 43.6407      1.01715  6.50113  0.0751364 6.60558  0.0769915 
1 1 1 21 4  3  o 6.31645  0.0540725 39.9008      0.683092 40.8974      0.970608 38.9227      0.961532 6.3946   0.0758928 6.2383   0.0770669 
1 1 1 21 4  4  o 5.20067  0.055489  27.0493      0.57716  27.7474      0.785462 26.23        0.850915 5.26717  0.0745621 5.12103  0.0830804 
1 1 1 21 4  5  o 9.52232  0.0745021 90.6888      1.41887  92.1087      1.98175  89.1953      2.03236  9.59589  0.103261  9.44279  0.107614  
1 1 1 21 4  6  o 3.8582   0.0531402 14.8868      0.410051 14.9899      0.557885 14.7657      0.604744 3.8714   0.0720521 3.8423   0.0786956 
1 1 1 21 4  7  o 8.70043  0.0683157 75.7067      1.18875  77.8226      1.70205  73.6917      1.661    8.82063  0.0964812 8.58332  0.0967573 
1 1 1 21 4  8  o 8.04124  0.0681127 64.6691      1.09542  64.2627      1.54869  65.0759      1.54963  8.01545  0.0966063 8.06602  0.0960593 
1 1 1 21 4  9  o 14.5116  0.105435  210.643      3.06005  211.262      4.401    210.064      4.25769  14.5307  0.151438  14.4897  0.146921  
1 1 1 21 4  10 o 15.4169  0.110243  237.749      3.3992   238.75       4.82491  236.764      4.78967  15.447   0.156176  15.3827  0.155684  
1 1 1 21 4  11 o 9.8388   0.0744103 96.8134      1.46422  98.2862      2.11239  95.4514      2.03142  9.91272  0.106549  9.76878  0.103975  
1 1 1 21 4  12 o 19.8753  0.135724  395.159      5.39511  397.006      7.58076  393.263      7.67988  19.9184  0.190295  19.824   0.193701  
1 1 1 21 4  13 o 21.9396  0.156153  481.532      6.85186  481.755      9.80542  481.319      9.57855  21.9402  0.223458  21.9306  0.218383  
1 1 1 21 4  14 o 18.306   0.127708  335.189      4.67563  333.745      6.73347  336.534      6.49752  18.2641  0.184337  18.3406  0.177135  
1 1 1 21 4  15 o 33.8601  0.24113   1147.49      16.3294  1143         23.565   1151.65      22.6487  33.777   0.348832  33.9072  0.33398   
1 1 1 21 4  16 f 17.5127  0.123396  306.767      4.322    305.519      6.08159  308.041      6.14335  17.4749  0.174009  17.5468  0.175056  
1 1 1 21 4  17 o 7.01381  0.078971  49.1991      1.10778  47.4292      1.58877  50.8736      1.54539  6.88605  0.115361  7.13181  0.108345  
1 1 1 21 4  18 o 12.6409  0.0966181 159.824      2.44269  158.799      3.36009  160.974      3.5573   12.5992  0.133345  12.685   0.140217  
1 1 1 21 4  19 o 14.6748  0.106595  215.404      3.12853  215.063      4.41307  215.749      4.43584  14.6614  0.1505    14.6847  0.151036  
1 1 1 21 4  20 o 19.1458  0.155622  366.781      5.95903  367.161      8.32523  366.382      8.5333   19.1502  0.217366  19.1293  0.223043  
1 1 1 21 4  21 o 5.29819  0.0965902 28.0783      1.02351  29.8436      1.48354  26.4748      1.41388  5.46149  0.135819  5.14398  0.137431  
1 1 1 21 4  22 o 6.24967  0.102158  39.0723      1.27691  39.0249      1.80708  39.1195      1.80457  6.24476  0.144688  6.25234  0.144311  
1 1 1 21 4  23 o 7.4309   0.0933516 55.2399      1.38737  54.7825      1.95915  55.6999      1.96495  7.39858  0.1324    7.46031  0.131694  
1 1 1 21 4  24 o 4.16095  0.11532   17.3261      0.959683 17.6146      1.36108  17.041       1.35335  4.19396  0.162266  4.12504  0.164041  
1 1 1 21 4  25 o 4.5593   0.110891  20.8042      1.01117  19.6814      1.39677  22.0407      1.46575  4.43267  0.157554  4.6909   0.156233  
1 1 1 21 4  26 o 4.30239  0.115326  18.5315      0.992351 20.1318      1.40685  16.9468      1.39997  4.48213  0.15694   4.11155  0.170248  
1 1 1 21 4  27 o 1.08405  0.3634    1.1218       0.929155 0.0923634    1.34422  2.06366      1.28578  0.960876 0.406127  1.41415  0.422497  
1 1 1 21 4  28 o 2.7849   0.166018  7.78396      0.924689 7.57214      1.31661  7.99015      1.29899  2.7413   0.240143  2.81678  0.23058   
1 1 1 21 4  29 o 2.73089  0.166     7.48996      0.906654 6.42767      1.23876  8.71553      1.33056  2.52328  0.245467  2.94032  0.226261  
1 1 1 21 4  30 f 3.30325  0.138687  10.9515      0.916234 12.1801      1.28272  9.67169      1.30918  3.47873  0.184366  3.09675  0.211381  
1 1 1 21 4  31 o 6.83624  0.0958707 46.829       1.31079  47.8339      1.85122  45.8185      1.85627  6.90261  0.134096  6.75497  0.1374    
1 1 1 21 4  32 o 1.61501  0.303397  2.75544      0.943907 2.10489      1.29749  3.4868       1.37572  1.407    0.425239  1.797    0.393564  
1 1 1 21 4  33 o 3.80274  0.133679  14.5428      1.01669  12.9915      1.40734  16.2362      1.47038  3.58228  0.196431  4.00785  0.183437  
1 1 1 21 4  34 o 1.90513  0.273564  3.72687      1.04235  5.48981      1.51304  2.13439      1.43803  2.29844  0.329145  1.4124   0.45144   
1 1 1 21 4  35 o 4.05434  0.132952  16.5541      1.07807  16.5195      1.49944  16.5912      1.5511   4.03637  0.185742  4.04327  0.191812  
1 1 1 21 4  36 o 0.822792 0.345058  0.201434     0.957918 0.250389     1.38283  0.15627      1.32822  0.968082 0.41068   0.935683 0.399885  
1 1 1 21 4  37 o 1.52938  0.339456  2.58384      1.01096  2.44976      1.41763  2.72258      1.4421   1.46461  0.444861  1.53821  0.444033  
1 1 1 21 4  38 o 1.57687  0.358472  2.7989       1.10523  3.37486      1.60758  2.28263      1.52199  1.68464  0.463026  1.40766  0.465101  
1 1 1 21 4  39 o 0.736412 0.334919  -0.46731     1.08179  0.617194     1.49721  -1.65192     1.56479  1.03801  0.433117  0.76651  0.366181  
1 1 1 21 4  40 o 1.11631  0.394883  1.35749      1.10461  0.541342     1.44417  2.50813      1.71477  0.997652 0.421277  1.42622  0.493205  
1 1 1 21 4  41 o 0.842433 0.355564  0.365571     1.02797  0.0362391    1.42314  0.724854     1.48645  0.889894 0.395768  1.01162  0.427298  
1 1 1 21 4  42 o 2.04383  0.27476   4.64375      1.12313  5.07431      1.55787  4.17778      1.62067  2.00926  0.401872  1.75911  0.456711  
1 1 1 21 4  43 o 1.24767  0.382086  2.06726      1.04291  1.12733      1.45251  3.06745      1.49836  1.01574  0.425391  1.43965  0.46088   
1 1 1 21 4  44 o 0.713179 0.332101  -0.259404    1.15196  -1.49724     1.62319  0.99669      1.63511  0.707037 0.345563  0.95499  0.424484  
1 1 1 21 4  45 o 0.987135 0.395964  1.52467      1.18995  1.91271      1.7415   1.18483      1.62973  1.02885  0.449016  0.930805 0.418448  
1 1 1 21 4  46 o 0.641025 0.312695  -0.73708     1.30874  -1.65906     1.85413  0.178385     1.84757  0.670521 0.33483   0.778172 0.377646  
1 1 1 21 5  0  o 1.11508  0.172342  1.3299       0.356884 1.3299       0.356884 1.3299       0.356884 1.13638  0.113642  ?        ?         
1 1 1 21 5  1  o 5.69331  0.0505141 32.416       0.575185 32.7457      0.818213 32.0939      0.808738 5.72198  0.0714973 5.66475  0.0713834 
1 1 1 21 5  2  o 5.15488  0.0499029 26.5746      0.514488 26.6133      0.713879 26.5329      0.742134 5.15847  0.0691949 5.15064  0.072043  
1 1 1 21 5  3  o 14.4474  0.105687  208.792      3.05381  207.882      4.25303  209.76       4.3876   14.4137  0.147534  14.4785  0.151522  
1 1 1 21 5  4  o 17.726   0.129978  314.361      4.608    310.542      6.44122  318.365      6.59489  17.6139  0.182845  17.8342  0.184894  
1 1 1 21 5  5  o 6.58132  0.0549257 43.3173      0.722967 43.216       1.02857  43.4163      1.0164   6.57334  0.0782379 6.58857  0.0771337 
1 1 1 21 5  6  o 17.2367  0.12114   297.218      4.17611  299.698      5.95587  294.819      5.85718  17.305   0.172086  17.1636  0.170628  
1 1 1 21 5  7  o 18.2538  0.129732  333.345      4.73621  334.058      6.63668  332.605      6.7611   18.2695  0.181633  18.2294  0.185445  
1 1 1 21 5  8  o 10.7415  0.0821131 115.4        1.76404  118.911      2.565    112.249      2.42994  10.9027  0.117631  10.593   0.114695  
1 1 1 21 5  9  o 24.1314  0.170328  582.731      8.22051  588.762      11.6128  576.674      11.6384  24.2476  0.239463  23.9969  0.242497  
1 1 1 21 5  10 o 12.6591  0.0929888 160.285      2.35431  161.859      3.28712  158.627      3.37355  12.7199  0.129212  12.5921  0.133955  
1 1 1 21 5  11 o 18.8301  0.129116  354.691      4.86255  353.518      6.93116  355.828      6.82346  18.7956  0.184382  18.8572  0.180925  
1 1 1 21 5  12 o 13.9885  0.103702  195.715      2.90128  198.72       4.20978  192.997      4.00401  14.0941  0.149346  13.8898  0.144134  
1 1 1 21 5  13 o 10.6483  0.0800687 113.396      1.70518  111.881      2.41118  114.912      2.41182  10.5763  0.113989  10.7187  0.112505  
1 1 1 21 5  14 o 1.99135  0.124665  3.96639      0.496503 4.35772      0.711114 3.59416      0.693538 2.08706  0.170363  1.89535  0.182958  
1 1 1 21 5  15 o 4.38121  0.0735439 19.1965      0.644423 19.2111      0.898623 19.1812      0.924636 4.38269  0.10252   4.37926  0.10557   
1 1 1 21 5  16 o 9.73332  0.0805346 94.7473      1.56774  94.2986      2.2221   95.192       2.21216  9.7097   0.114427  9.75561  0.113379  
1 1 1 21 5  17 f 17.5193  0.125548  307.016      4.39901  305.995      6.26351  308.009      6.17962  17.4874  0.179087  17.545   0.176108  
1 1 1 21 5  18 o 3.74305  0.0993651 14.0133      0.743857 13.9059      1.02859  14.131       1.07703  3.72832  0.137943  3.75831  0.143286  
1 1 1 21 5  19 f 5.13238  0.0875684 26.3458      0.898868 25.856       1.24587  26.8775      1.29812  5.08403  0.122528  5.18344  0.125218  
1 1 1 21 5  20 o 14.5756  0.122753  212.529      3.57839  211.935      5.03802  213.134      5.0835   14.5524  0.173099  14.5935  0.174171  
1 1 1 21 5  21 o 17.9317  0.131272  321.709      4.70786  327.658      6.6872   315.864      6.62902  18.0922  0.184809  17.7634  0.186592  
1 1 1 21 5  22 o 10.243   0.103713  104.959      2.12466  104.545      3.07851  105.336      2.93599  10.2205  0.150604  10.2595  0.143086  
1 1 1 21 5  23 o 5.94723  0.0966005 35.3849      1.14901  34.8869      1.58855  35.9313      1.66397  5.90401  0.134531  5.99156  0.138859  
1 1 1 21 5  24 o 4.5083   0.109576  20.3386      0.988002 21.0059      1.41031  19.6955      1.38453  4.58014  0.15396   4.4349   0.156095  
1 1 1 21 5  25 o 7.955    0.0905868 63.318       1.44124  64.5897      2.04889  62.0724      2.02771  8.0322   0.127542  7.87403  0.128759  
1 1 1 21 5  26 o 5.97673  0.0979754 35.7522      1.17115  35.6237      1.60854  35.8971      1.70847  5.96368  0.134862  5.98593  0.142707  
1 1 1 21 5  27 o 1.35357  0.337007  1.92834      0.909887 3.15798      1.34331  0.885923     1.23682  1.72843  0.396763  1.0922   0.413103  
1 1 1 21 5  28 o 5.11531  0.10722   26.2076      1.09692  28.604       1.56346  23.8844      1.53939  5.34043  0.14638   4.87885  0.157761  
1 1 1 21 5  29 o 3.00304  0.150747  9.05144      0.905401 9.02962      1.24365  9.07605      1.32069  2.9944   0.207662  3.0008   0.220056  
1 1 1 21 5  30 o 1.42015  0.308612  2.13257      0.85203  2.81616      1.20037  1.43844      1.20959  1.62455  0.376497  1.21965  0.414629  
1 1 1 21 5  31 o 2.13514  0.204977  4.60231      0.875311 4.21921      1.21242  5.01937      1.26501  2.03374  0.298076  2.22011  0.284898  
1 1 1 21 5  32 o 1.63138  0.298083  2.80782      0.936439 1.92876      1.28982  3.78765      1.36175  1.35585  0.426894  1.8797   0.37551   
1 1 1 21 5  33 o 2.45853  0.190887  6.1159       0.938607 5.98662      1.38413  6.22596      1.2771   2.4143   0.286652  2.46813  0.258718  
1 1 1 21 5  34 o 1.08378  0.377439  1.13187      1.00577  1.73574      1.48138  0.615489     1.36988  1.31619  0.4581    1.04537  0.422552  
1 1 1 21 5  35 o 2.1411   0.225179  4.67807      0.964261 5.28125      1.34171  4.03372      1.38675  2.25777  0.297132  1.92637  0.37326   
1 1 1 21 5  36 o 0.80403  0.341103  0.122116     0.954043 -0.926667    1.38141  1.07853      1.31918  0.795957 0.367953  1.11748  0.425468  
1 1 1 21 5  37 o 2.78102  0.196713  7.91368      1.09412  8.53544      1.54204  7.28333      1.55266  2.8596   0.269625  2.63063  0.295112  
1 1 1 21 5  38 o 4.18527  0.149091  17.7952      1.24797  17.0359      1.74515  18.5899      1.78533  4.06104  0.214865  4.24509  0.210281  
1 1 1 21 5  39 o 1.49193  0.367142  2.5471       1.08951  2.11517      1.52746  2.99447      1.55451  1.35448  0.465768  1.5763   0.462959  
1 1 1 21 5  40 o 2.48007  0.231564  6.47077      1.14859  7.22017      1.5397   5.53047      1.72469  2.57821  0.298599  2.15748  0.414489  
1 1 1 21 5  41 o 0.690616 0.318189  -0.501685    1.02184  -0.418877    1.41864  -0.590972    1.47309  0.826957 0.378457  0.821003 0.379697  
1 1 1 21 5  42 o 0.721623 0.328278  -0.258882    1.04081  -0.583237    1.43616  0.0999217    1.5105   0.794385 0.370261  0.89584  0.402783  
1 1 1 21 5  43 o 0.917451 0.370408  0.874865     1.0509   0.481494     1.4477   1.31306      1.52794  0.909289 0.402379  1.05218  0.438188  
1 1 1 21 5  44 o 1.12407  0.402022  1.90245      1.14773  0.933987     1.62195  2.87376      1.62432  0.939757 0.420094  1.27111  0.475087  
1 1 1 21 5  45 o 0.672829 0.321513  -0.459562    1.20836  -1.55271     1.7147   0.618893     1.70313  0.68776  0.339752  0.855004 0.400224  
1 1 1 21 5  46 o 0.627465 0.306996  -0.889238    1.29002  1.86017      1.82148  -3.65615     1.82727  0.930524 0.4271    0.584549 0.297623  
1 1 1 21 6  0  o 17.3886  0.180169  302.597      6.26424  302.597      6.26424  302.597      6.26424  17.392   0.127358  ?        ?         
1 1 1 21 6  1  o 14.7842  0.108945  218.646      3.22134  216.373      4.51224  221.008      4.60035  14.7048  0.153428  14.8614  0.154775  
1 1 1 21 6  2  o 15.3213  0.11576   234.831      3.5472   237.39       5.07237  232.381      4.96243  15.4016  0.16467   15.2384  0.162827  
1 1 1 21 6  3  o 25.379   0.18461   644.707      9.37047  635.697      13.0801  654.206      13.4305  25.1894  0.259635  25.5529  0.262799  
1 1 1 21 6  4  o 8.54282  0.065139  72.9883      1.11294  72.9711      1.56711  73.0058      1.58086  8.54133  0.0917366 8.54334  0.09252   
1 1 1 21 6  5  o 6.09682  0.0533625 37.1741      0.650684 36.894       0.914622 37.4611      0.925893 6.07359  0.0752951 6.12008  0.0756439 
1 1 1 21 6  6  o 14.3779  0.1012    206.779      2.91008  209.199      4.20551  204.555      4.03099  14.4597  0.145422  14.2986  0.140957  
1 1 1 21 6  7  o 15.174   0.108004  230.317      3.27769  231.668      4.66354  228.998      4.60768  15.2161  0.153243  15.1282  0.152287  
1 1 1 21 6  8  o 14.6173  0.107064  213.724      3.12997  216.187      4.48304  211.382      4.37195  14.6991  0.152494  14.5349  0.150395  
1 1 1 21 6  9  o 15.9226  0.116158  253.61       3.69909  256.463      5.17236  250.623      5.29231  16.0095  0.161541  15.8258  0.167205  
1 1 1 21 6  10 o 8.72472  0.0713357 76.129       1.24477  77.2649      1.72361  74.8908      1.79958  8.78911  0.0980534 8.65292  0.103987  
1 1 1 21 6  11 o 27.1786  0.189568  739.168      10.3044  741.475      14.293   736.671      14.8692  27.2124  0.26262   27.1225  0.274112  
1 1 1 21 6  12 o 14.1268  0.108237  199.603      3.05809  200.756      4.35414  198.481      4.29603  14.1661  0.153682  14.0856  0.152497  
1 1 1 21 6  13 o 17.664   0.120696  312.082      4.26394  312.228      6.03071  311.935      6.02953  17.6662  0.170685  17.6579  0.170732  
1 1 1 21 6  14 o 6.73646  0.0682309 45.3831      0.91927  45.4969      1.30583  45.2712      1.29433  6.74466  0.0968047 6.72792  0.0961912 
1 1 1 21 6  15 o 7.42585  0.0696298 55.1472      1.03412  55.5014      1.46949  54.7996      1.45555  7.44937  0.0986316 7.40213  0.0983196 
1 1 1 21 6  16 o 11.6615  0.089235  136.008      2.08122  135.394      2.92748  136.636      2.95937  11.6343  0.125812  11.6875  0.126604  
1 1 1 21 6  17 o 10.8646  0.0879611 118.057      1.91132  114.837      2.66838  121.45       2.73903  10.7146  0.124521  11.0187  0.12429   
1 1 1 21 6  18 o 21.063   0.144081  443.843      6.06955  439.623      8.50867  448.216      8.66063  20.958   0.202993  21.1617  0.20463   
1 1 1 21 6  19 o 7.54347  0.0844053 56.9132      1.27342  56.8117      1.77063  57.0221      1.83274  7.53615  0.117476  7.55001  0.121374  
1 1 1 21 6  20 o 14.6509  0.117328  214.727      3.43793  217.923      4.9186   211.674      4.80723  14.7568  0.166656  14.5437  0.165268  
1 1 1 21 6  21 o 7.38174  0.0935965 54.5046      1.38181  54.8863      1.9762   54.1395      1.93287  7.40651  0.13341   7.35601  0.13138   
1 1 1 21 6  22 o 8.64801  0.0956814 74.8143      1.65491  76.8708      2.40169  72.9551      2.28356  8.76443  0.137014  8.53843  0.133722  
1 1 1 21 6  23 o 7.55482  0.0904805 57.0981      1.36713  58.3957      1.89589  55.6924      1.97325  7.63884  0.124096  7.45955  0.132263  
1 1 1 21 6  24 o 12.4642  0.104529  155.457      2.60574  157.22       3.74501  153.802      3.62791  12.5305  0.149436  12.3939  0.146359  
1 1 1 21 6  25 o 4.50104  0.10922   20.2769      0.983204 20.9363      1.39175  19.6199      1.38918  4.57175  0.152212  4.42545  0.156953  
1 1 1 21 6  26 o 3.4429   0.134384  11.874       0.92534  11.926       1.27819  11.8168      1.34135  3.44776  0.185365  3.43132  0.195457  
1 1 1 21 6  27 o 4.39135  0.117475  19.3143      1.03175  18.4588      1.51469  20.0549      1.40923  4.2887   0.176591  4.47189  0.157565  
1 1 1 21 6  28 o 4.88928  0.106765  23.9433      1.04401  24.3696      1.44462  23.4772      1.51049  4.9291   0.14654   4.83702  0.156138  
1 1 1 21 6  29 o 1.32431  0.328995  1.85559      0.868588 0.770451     1.18035  3.13721      1.28277  1.0438   0.400988  1.71729  0.383304  
1 1 1 21 6  30 o 3.52426  0.131076  12.4632      0.923892 12.0615      1.29725  12.8767      1.31611  3.46084  0.187419  3.57633  0.184003  
1 1 1 21 6  31 o 3.27338  0.139462  10.7638      0.913023 10.253       1.25694  11.3345      1.32845  3.18757  0.197162  3.35132  0.198198  
1 1 1 21 6  32 o 3.78923  0.136864  14.4353      1.03722  13.3516      1.41484  15.6944      1.52506  3.63447  0.194642  3.9407   0.193501  
1 1 1 21 6  33 o 1.79905  0.254251  3.30663      0.914819 2.1901       1.2983   4.40763      1.28924  1.42359  0.424394  2.06564  0.312069  
1 1 1 21 6  34 o 3.79249  0.146749  14.4962      1.11309  14.385       1.59702  14.6011      1.55224  3.76166  0.212275  3.79199  0.204673  
1 1 1 21 6  35 o 4.09633  0.130258  16.9004      1.06716  17.1394      1.52045  16.6684      1.49819  4.11007  0.184966  4.05326  0.184813  
1 1 1 21 6  36 o 1.24018  0.367592  1.68281      0.975929 1.3946       1.41872  1.94169      1.3446   1.20605  0.445343  1.33387  0.437158  
1 1 1 21 6  37 o 1.29161  0.370721  1.86068      1.00804  2.75446      1.40923  0.924181     1.44252  1.54509  0.43669   1.09964  0.437867  
1 1 1 21 6  38 o 0.993119 0.377604  0.878853     1.0379   0.527249     1.43143  1.26861      1.5071   1.00984  0.422567  1.16757  0.452122  
1 1 1 21 6  39 o 1.30198  0.383725  1.94949      1.06615  2.35671      1.5108   1.54554      1.50474  1.40942  0.463388  1.21808  0.456869  
1 1 1 21 6  40 o 1.13073  0.392337  1.43997      1.08588  1.79027      1.45126  0.994399     1.63675  1.24439  0.451367  1.1052   0.456468  
1 1 1 21 6  41 o 1.29099  0.370193  2.01956      1.00564  -0.128925    1.40259  4.29246      1.44263  0.858987 0.387064  1.87272  0.397229  
1 1 1 21 6  42 o 0.556994 0.272807  -1.62821     1.02581  -0.636574    1.43329  -2.66959     1.46879  0.784429 0.367181  0.626007 0.310499  
1 1 1 21 6  43 o 0.786334 0.344498  0.253131     1.03329  -1.09603     1.4344   1.70843      1.48975  0.721144 0.345962  1.12097  0.445413  
1 1 1 21 6  44 o 0.597062 0.29042   -1.17027     1.1037   -1.13959     1.53605  -1.20302     1.58692  0.708872 0.344116  0.714912 0.347901  
1 1 1 21 6  45 o 0.830697 0.367252  0.855702     1.2021   1.55055      1.74146  0.223262     1.66142  0.939946 0.426805  0.798103 0.380303  
1 1 1 21 6  46 o 0.743305 0.347484  0.386467     1.27682  -0.672705    1.78053  1.50774      1.83198  0.71265  0.350988  0.883475 0.413824  
1 1 1 21 7  0  o 1.80154  0.106235  3.27977      0.379724 3.27977      0.379724 3.27977      0.379724 1.80634  0.0746127 ?        ?         
1 1 1 21 7  1  o 3.65579  0.0490918 13.3657      0.358938 13.5842      0.520513 13.1675      0.495632 3.68542  0.0706178 3.62847  0.0682976 
1 1 1 21 7  2  o 9.01731  0.0686338 81.3224      1.23778  81.9221      1.76451  80.7414      1.7368   9.0499   0.0974881 8.98447  0.0966556 
1 1 1 21 7  3  o 3.26667  0.049309  10.6718      0.322152 10.2731      0.459995 11.0557      0.451314 3.20494  0.0717634 3.3248   0.0678708 
1 1 1 21 7  4  o 8.77069  0.0673925 76.9342      1.18216  77.0395      1.69383  76.8343      1.65065  8.77613  0.0965024 8.76448  0.0941668 
1 1 1 21 7  5  o 9.1098   0.0705294 82.9991      1.28502  81.8288      1.79318  84.2345      1.84239  9.04477  0.0991282 9.17673  0.100384  
1 1 1 21 7  6  o 7.55433  0.0621701 57.0734      0.939307 56.8256      1.30427  57.3404      1.35388  7.53756  0.0865183 7.57158  0.0894052 
1 1 1 21 7  7  o 18.0716  0.130165  326.719      4.70457  329.634      6.71215  323.904      6.5959   18.1481  0.184927  17.9898  0.183323  
1 1 1 21 7  8  o 5.90181  0.0572246 34.834       0.675457 35.5951      0.978126 34.1403      0.93389  5.96568  0.0819795 5.84252  0.0799218 
1 1 1 21 7  9  o 24.8277  0.169327  616.825      8.40801  620.07       11.9444  613.638      11.8378  24.8843  0.239998  24.7551  0.239098  
1 1 1 21 7  10 o 12.7093  0.0935477 161.554      2.37785  160.775      3.20992  162.502      3.53981  12.6776  0.126598  12.7452  0.138869  
1 1 1 21 7  11 o 24.7445  0.175363  612.615      8.67852  612.002      12.1287  613.257      12.4231  24.7255  0.245267  24.7503  0.25097   
1 1 1 21 7  12 o 24.7326  0.167682  611.968      8.29441  615.348      11.662   608.507      11.7993  24.7955  0.235164  24.6569  0.239271  
1 1 1 21 7  13 o 14.3415  0.1026    205.709      2.94287  206.544      4.17988  204.889      4.14404  14.3694  0.145444  14.3117  0.144778  
1 1 1 21 7  14 o 14.9855  0.108269  224.605      3.24494  221.801      4.48741  227.678      4.69791  14.8904  0.150681  15.0862  0.155702  
1 1 1 21 7  15 o 23.4903  0.16194   552.016      7.60806  548.088      10.9303  555.709      10.5963  23.4013  0.23354   23.5641  0.22484   
1 1 1 21 7  16 o 3.18319  0.0962667 10.1343      0.61287  10.7941      0.875519 9.50037      0.858198 3.28492  0.133263  3.08173  0.13924   
1 1 1 21 7  17 o 15.223   0.110489  231.797      3.36394  234.275      4.69126  229.174      4.82628  15.3024  0.153286  15.1346  0.159446  
1 1 1 21 7  18 o 6.84141  0.0776987 46.8109      1.06314  48.0224      1.52515  45.6659      1.48275  6.92891  0.110057  6.75677  0.109723  
1 1 1 21 7  19 o 9.98589  0.0939239 99.7389      1.87583  103.776      2.74092  96.1822      2.5727   10.1848  0.134559  9.80523  0.13119   
1 1 1 21 7  20 f 2.57422  0.160582  6.63127      0.826744 6.5391       1.16397  6.72511      1.17449  2.55534  0.227752  2.59145  0.226608  
1 1 1 21 7  21 o 7.68992  0.0955621 59.152       1.46973  61.1123      2.15391  57.4441      2.01051  7.81507  0.137805  7.57707  0.132671  
1 1 1 21 7  22 o 10.448   0.0979313 109.203      2.04637  110.367      2.8542   107.971      2.9355   10.5015  0.135895  10.3866  0.141311  
1 1 1 21 7  23 o 1.81315  0.238343  3.29701      0.864302 4.93393      1.21786  1.63596      1.2268   2.217    0.274664  1.29209  0.417371  
1 1 1 21 7  24 o 8.49524  0.0992567 72.2128      1.68642  74.8638      2.47544  69.9168      2.30373  8.64691  0.14314   8.35672  0.137837  
1 1 1 21 7  25 o 9.42385  0.0924332 88.8666      1.74215  87.612       2.40876  90.2426      2.52275  9.35418  0.128753  9.49318  0.132872  
1 1 1 21 7  26 o 4.07856  0.118713  16.6586      0.968357 16.6308      1.3678   16.6866      1.37113  4.07227  0.16794   4.07909  0.168069  
1 1 1 21 7  27 o 5.75079  0.099733  33.1108      1.14709  32.2739      1.63595  33.9202      1.60884  5.67396  0.144163  5.81746  0.138277  
1 1 1 21 7  28 o 3.74602  0.127215  14.0655      0.953098 14.1821      1.31331  13.9358      1.38534  3.75758  0.174755  3.72371  0.186016  
1 1 1 21 7  29 o 0.792985 0.328475  0.180188     0.851446 1.3102       1.17879  -1.05247     1.23117  1.18117  0.40888   0.742031 0.344683  
1 1 1 21 7  30 o 3.52831  0.133368  12.4943      0.941124 12.0502      1.32968  12.94        1.33222  3.45836  0.192242  3.58465  0.185823  
1 1 1 21 7  31 o 1.92999  0.223782  3.77012      0.863794 4.38885      1.23315  3.17406      1.21035  2.07285  0.297454  1.72363  0.362552  
1 1 1 21 7  32 o 2.2199   0.209377  4.99126      0.929594 3.54722      1.28717  6.56554      1.34396  1.81854  0.366761  2.53655  0.264919  
1 1 1 21 7  33 o 1.1671   0.361752  1.42955      0.931066 1.85681      1.32499  1.01278      1.30861  1.3313   0.433959  1.11662  0.424164  
1 1 1 21 7  34 o 3.59123  0.150618  13.0071      1.08181  12.0015      1.58311  13.888       1.48173  3.42993  0.230779  3.69869  0.200305  
1 1 1 21 7  35 o 0.96023  0.361348  0.766796     0.942831 1.74054      1.31399  -0.266582    1.35362  1.28717  0.432153  0.879633 0.389193  
1 1 1 21 7  36 o 3.41129  0.16001   11.8001      1.09168  10.8578      1.52912  12.7797      1.55906  3.24597  0.23554   3.52782  0.220967  
1 1 1 21 7  37 o 0.700844 0.319385  -0.51791     0.994659 0.153224     1.43632  -1.13634     1.37877  0.956886 0.412569  0.76408  0.358097  
1 1 1 21 7  38 o 1.43771  0.359811  2.34854      1.03315  2.61451      1.45459  2.07776      1.46769  1.48674  0.45043   1.34798  0.456729  
1 1 1 21 7  39 o 0.991615 0.383933  0.86376      1.0867   0.553182     1.5689   1.15018      1.50665  1.03527  0.438223  1.13161  0.44847   
1 1 1 21 7  40 o 1.17297  0.387643  1.59954      1.05726  -0.108281    1.44007  3.59641      1.55717  0.885616 0.395867  1.69131  0.451672  
1 1 1 21 7  41 o 2.10293  0.245577  4.75981      1.03286  3.77475      1.44822  5.77953      1.47348  1.72863  0.421994  2.25618  0.326544  
1 1 1 21 7  42 o 0.921015 0.368927  0.823719     1.03094  0.447978     1.41941  1.24326      1.49986  0.919752 0.403351  1.06461  0.437931  
1 1 1 21 7  43 o 1.02144  0.375171  1.31457      1.00537  0.643123     1.40214  2.02505      1.44232  0.921335 0.402489  1.18481  0.446699  
1 1 1 21 7  44 o 0.675126 0.318209  -0.452144    1.12942  0.11224      1.61352  -0.994312    1.58144  0.830946 0.389067  0.725497 0.351316  
1 1 1 21 7  45 o 0.705849 0.331966  -0.0251174   1.21627  -0.565422    1.78465  0.443481     1.66201  0.74234  0.362707  0.809938 0.383293  
1 1 1 21 7  46 o 1.17936  0.425281  2.88365      1.28671  1.98314      1.78511  3.85746      1.85633  0.921377 0.422865  1.15748  0.482573  
1 1 1 21 8  0  o 15.669   0.168001  245.696      5.26347  245.696      5.26347  245.696      5.26347  15.6718  0.118758  ?        ?         
1 1 1 21 8  1  o 20.9994  0.153124  441.25       6.43103  438.773      9.04648  443.781      9.14401  20.9338  0.216074  21.0528  0.217169  
1 1 1 21 8  2  o 16.9305  0.118718  286.749      4.0199   288.549      5.72242  284.996      5.64829  16.9803  0.168502  16.8755  0.167351  
1 1 1 21 8  3  o 17.3226  0.122789  300.19       4.25403  300.446      6.09246  299.947      5.94256  17.3263  0.175815  17.3123  0.171629  
1 1 1 21 8  4  o 13.9363  0.105321  194.277      2.93559  195.383      4.2249   193.244      4.0819   13.9738  0.151172  13.8974  0.146859  
1 1 1 21 8  5  o 9.10482  0.069878  82.908       1.27245  82.9994      1.81926  82.8205      1.78041  9.10925  0.0998579 9.09947  0.0978304 
1 1 1 21 8  6  o 3.80466  0.0554961 14.4765      0.422288 15.734       0.658686 13.599       0.550246 3.96627  0.0830359 3.68742  0.0746112 
1 1 1 21 8  7  o 9.93157  0.0758822 98.6497      1.50726  102.195      2.17038  95.3469      2.0948   10.1077  0.107362  9.76321  0.10728   
1 1 1 21 8  8  o 11.0339  0.0794958 121.766      1.7543   124.045      2.55106  119.721      2.41634  11.1358  0.114543  10.9401  0.110435  
1 1 1 21 8  9  o 15.494   0.110738  240.126      3.43155  242.256      4.9005   238.078      4.80675  15.5604  0.157467  15.4257  0.155803  
1 1 1 21 8  10 o 10.9365  0.0837767 119.624      1.83245  120.05       2.57544  119.186      2.60783  10.9553  0.117543  10.9158  0.119452  
1 1 1 21 8  11 o 10.5942  0.0814164 112.249      1.72508  113.459      2.47029  111.097      2.41009  10.6505  0.115971  10.5391  0.11434   
1 1 1 21 8  12 o 17.1562  0.118627  294.396      4.07038  293.86       5.69138  294.957      5.82368  17.1388  0.166038  17.1706  0.169582  
1 1 1 21 8  13 o 12.4537  0.0925219 155.114      2.30448  155.298      3.2296   154.923      3.28926  12.4603  0.129596  12.4451  0.13215   
1 1 1 21 8  14 o 8.8153   0.0734213 77.7158      1.29446  77.2243      1.78412  78.2622      1.88101  8.78704  0.10152   8.84583  0.106322  
1 1 1 21 8  15 o 15.2816  0.110424  233.573      3.37491  235.737      4.75758  231.38       4.78825  15.3507  0.154963  15.2081  0.157424  
1 1 1 21 8  16 o 13.1442  0.101436  172.802      2.66659  177.967      3.7245   167.371      3.81956  13.338   0.13962   12.9345  0.14765   
1 1 1 21 8  17 o 13.0692  0.0972892 170.838      2.54299  170.76       3.55047  170.921      3.64401  13.065   0.135877  13.071   0.139393  
1 1 1 21 8  18 o 9.33396  0.0879091 87.1376      1.64108  84.7436      2.241    89.9061      2.40987  9.20412  0.121739  9.4802   0.1271    
1 1 1 21 8  19 o 7.647    0.0847517 58.487       1.29619  58.2523      1.81972  58.7288      1.84677  7.63097  0.119233  7.66208  0.120513  
1 1 1 21 8  20 o 12.6515  0.104209  160.11       2.6368   160.834      3.7242   159.382      3.73382  12.6781  0.146875  12.6207  0.147925  
1 1 1 21 8  21 o 3.6935   0.134503  13.6502      0.993574 13.4281      1.39505  13.8789      1.41543  3.6622   0.190466  3.72317  0.190084  
1 1 1 21 8  22 o 12.2724  0.105619  150.687      2.59241  151.322      3.69665  150.072      3.63653  12.2951  0.15033   12.2444  0.148498  
1 1 1 21 8  23 o 4.37409  0.109164  19.1449      0.954989 18.6082      1.33051  19.7152      1.37154  4.31099  0.154316  4.43736  0.154545  
1 1 1 21 8  24 o 9.84169  0.0943181 96.9142      1.8565   99.2673      2.6903   94.7748      2.56514  9.9574   0.135091  9.72975  0.131819  
1 1 1 21 8  25 o 6.66512  0.0924257 44.4542      1.23206  44.7164      1.72593  44.1819      1.75934  6.68252  0.129137  6.64223  0.132436  
1 1 1 21 8  26 o 2.15512  0.201253  4.66435      0.867446 4.68647      1.21013  4.64098      1.24409  2.15595  0.280648  2.14487  0.290015  
1 1 1 21 8  27 o 1.9944   0.212238  3.99998      0.846577 4.97832      1.1849   2.9798       1.20998  2.22136  0.266705  1.67964  0.370154  
1 1 1 21 8  28 o 0.894027 0.341342  0.566295     0.851027 0.68544      1.17769  0.436084     1.23116  1.02493  0.399093  0.98632  0.399802  
1 1 1 21 8  29 o 4.59867  0.112867  21.1964      1.03808  20.9895      1.47997  21.3969      1.45646  4.57058  0.161901  4.61528  0.157786  
1 1 1 21 8  30 o 5.15945  0.105429  26.6818      1.08791  26.5636      1.52276  26.805       1.55481  5.1423   0.148062  5.16522  0.150507  
1 1 1 21 8  31 o 3.18275  0.14938   10.187       0.950876 9.70846      1.33172  10.6847      1.35815  3.09788  0.214941  3.25095  0.208886  
1 1 1 21 8  32 f 3.88653  0.12763   15.179       0.992078 13.7399      1.38997  16.6734      1.41643  3.68718  0.188486  4.06489  0.174227  
1 1 1 21 8  33 o 3.43238  0.158057  11.8869      1.08502  11.4018      1.57507  12.3251      1.49683  3.34334  0.235554  3.4818   0.21495   
1 1 1 21 8  34 o 4.6545   0.124019  21.794       1.15449  21.3846      1.64689  22.1895      1.61887  4.59572  0.179177  4.68342  0.172829  
1 1 1 21 8  35 o 2.79956  0.176304  7.95523      0.987146 8.1215       1.38749  7.78481      1.40474  2.80896  0.246976  2.74732  0.255656  
1 1 1 21 8  36 o 0.955937 0.366318  0.742022     0.983069 1.18338      1.38702  0.296501     1.39354  1.14823  0.436536  0.973847 0.412654  
1 1 1 21 8  37 o 2.26562  0.228056  5.30286      1.03338  5.23812      1.47847  5.3647       1.44494  2.21074  0.334382  2.2427   0.322143  
1 1 1 21 8  38 o 1.20027  0.380086  1.61177      1.02112  2.96395      1.44128  0.249038     1.44689  1.58143  0.439912  0.964761 0.415001  
1 1 1 21 8  39 o 0.611671 0.294732  -1.40895     1.06974  -2.39128     1.51144  -0.422957    1.51425  0.683649 0.333975  0.876897 0.398126  
1 1 1 21 8  40 o 1.23055  0.381819  1.79901      1.03686  1.79794      1.40924  1.80028      1.53101  1.23356  0.445046  1.24011  0.461687  
1 1 1 21 8  41 o 1.41564  0.362242  2.42585      1.02989  2.54108      1.4068   2.29276      1.51183  1.39459  0.446588  1.32439  0.462608  
1 1 1 21 8  42 o 0.724242 0.328884  -0.185275    1.03448  0.309971     1.42781  -0.73251     1.50088  0.895597 0.397543  0.784498 0.3689    
1 1 1 21 8  43 o 0.746086 0.330768  0.128164     0.984351 -0.399258    1.3789   0.676251     1.40565  0.771146 0.360736  0.920215 0.402488  
1 1 1 21 8  44 o 0.995642 0.393224  1.44881      1.15463  1.3738       1.69079  1.51437      1.58057  0.986281 0.435855  1.00454  0.43295   
1 1 1 21 8  45 o 1.15932  0.416259  2.53461      1.23153  1.89785      1.80177  3.09294      1.68716  0.955637 0.433984  1.14419  0.466524  
1 1 1 21 8  46 o 0.719246 0.338517  0.336512     1.26931  -0.486751    1.77943  1.18939      1.81115  0.704451 0.347541  0.825079 0.394112  
1 1 1 21 9  0  o 8.21727  0.0896483 67.5547      1.47293  67.5547      1.47293  67.5547      1.47293  8.21822  0.0633751 ?        ?         
1 1 1 21 9  1  o 4.7705   0.0478989 22.759       0.457003 22.4194      0.643284 23.1051      0.649359 4.73463  0.0679339 4.80649  0.0675503 
1 1 1 21 9  2  o 22.7093  0.158034  516.042      7.17768  516.016      10.388   516.066      9.92907  22.7006  0.228805  22.703   0.218673  
1 1 1 21 9  3  o 10.4612  0.0806544 109.454      1.68748  109.917      2.45737  109.04       2.32134  10.4823  0.117215  10.4406  0.111169  
1 1 1 21 9  4  o 18.4568  0.13404   340.808      4.9479   342.315      6.941    339.25       7.05517  18.4935  0.18766   18.4102  0.19161   
1 1 1 21 9  5  o 10.0005  0.0751199 100.023      1.50247  98.3654      2.09305  101.786      2.15806  9.91656  0.105533  10.0875  0.106967  
1 1 1 21 9  6  o 9.57335  0.0716594 91.6604      1.37204  92.0677      1.96739  91.2747      1.91441  9.59397  0.102533  9.55261  0.100203  
1 1 1 21 9  7  o 9.87718  0.0753933 97.5717      1.48935  96.5371      2.11701  98.5856      2.09566  9.82397  0.107747  9.92771  0.105546  
1 1 1 21 9  8  o 15.1944  0.106243  230.927      3.22858  234.497      4.63557  227.563      4.49929  15.3093  0.151397  15.0814  0.149167  
1 1 1 21 9  9  o 8.97315  0.0750666 80.5261      1.34717  82.1426      1.99912  79.1815      1.82335  9.06217  0.1103    8.89748  0.102465  
1 1 1 21 9  10 o 12.5364  0.0914774 157.184      2.2936   159.7        3.33805  154.934      3.15681  12.6353  0.132092  12.4455  0.126825  
1 1 1 21 9  11 o 4.99957  0.0617615 24.9972      0.617561 24.8366      0.850979 25.1758      0.897613 4.98335  0.0853823 5.01724  0.089453  
1 1 1 21 9  12 o 26.7204  0.182638  714.331      9.76034  716.833      13.8571  711.868      13.7499  26.7603  0.258912  26.6676  0.257802  
1 1 1 21 9  13 o 6.61467  0.0652845 43.7566      0.86367  45.6615      1.23048  41.9068      1.21254  6.7569   0.0910539 6.47312  0.0936597 
1 1 1 21 9  14 o 18.5156  0.129423  342.913      4.79267  345.081      6.67107  340.601      6.88993  18.5717  0.179603  18.4504  0.186715  
1 1 1 21 9  15 o 6.75551  0.0705161 45.6407      0.952744 47.5991      1.37142  43.8139      1.32457  6.89862  0.0993982 6.61863  0.100064  
1 1 1 21 9  16 o 9.22775  0.0800389 85.1622      1.47716  85.421       2.03476  84.8739      2.14786  9.24123  0.110091  9.21146  0.116587  
1 1 1 21 9  17 o 8.80292  0.0796842 77.5017      1.40291  78.7701      1.97185  76.2016      1.9964   8.87409  0.111102  8.72814  0.114365  
1 1 1 21 9  18 o 10.5848  0.0942947 112.061      1.99618  110.86       2.78273  113.334      2.86513  10.5269  0.132172  10.6436  0.134594  
1 1 1 21 9  19 o 19.0771  0.135535  364.107      5.17121  359.337      7.22887  369.106      7.40055  18.9472  0.190764  19.2029  0.192694  
1 1 1 21 9  20 o 4.95803  0.102428  24.5897      1.01568  24.1948      1.42984  24.9919      1.44304  4.91727  0.145389  4.99764  0.144372  
1 1 1 21 9  21 o 7.16926  0.0957404 51.4153      1.37278  52.0235      1.85148  50.6727      2.04583  7.21058  0.128387  7.11581  0.143752  
1 1 1 21 9  22 o 8.83791  0.0931666 78.14        1.6468   78.6605      2.34065  77.6298      2.31737  8.86547  0.132009  8.80723  0.131561  
1 1 1 21 9  23 o 1.10763  0.351101  1.21538      0.871152 1.98087      1.22968  0.444102     1.23432  1.39161  0.412653  0.996811 0.401853  
1 1 1 21 9  24 o 4.00534  0.117387  16.0576      0.940349 16.0713      1.33868  16.0443      1.3212   4.00508  0.167122  4.00181  0.165075  
1 1 1 21 9  25 o 5.53313  0.0987416 30.6411      1.0927   30.9742      1.52693  30.2916      1.56437  5.56093  0.137291  5.49898  0.142242  
1 1 1 21 9  26 o 8.36235  0.0912517 69.9921      1.52616  71.9287      2.17525  68.1147      2.14176  8.47352  0.128356  8.24563  0.129873  
1 1 1 21 9  27 o 3.77779  0.125803  14.3013      0.950516 15.19        1.32858  13.3694      1.36045  3.89001  0.170768  3.64812  0.18646   
1 1 1 21 9  28 o 6.45613  0.0966899 41.7417      1.24849  40.6366      1.7646   42.8493      1.76666  6.36516  0.138614  6.53665  0.135135  
1 1 1 21 9  29 f 3.41507  0.132928  11.7013      0.907915 9.69598      1.25966  13.8693      1.30977  3.10188  0.203048  3.71334  0.17636   
1 1 1 21 9  30 o 4.1478   0.116863  17.2547      0.969447 15.409       1.31515  19.4511      1.43464  3.91367  0.16802   4.39788  0.163106  
1 1 1 21 9  31 o 1.62612  0.29406   2.78351      0.921279 2.57903      1.28233  3.00165      1.32446  1.54454  0.4087    1.66555  0.401676  
1 1 1 21 9  32 o 4.30749  0.118168  18.6343      1.01801  19.4246      1.46387  17.8942      1.41666  4.3885   0.166785  4.21177  0.168179  
1 1 1 21 9  33 o 2.08749  0.240216  4.44823      1.0029   5.35836      1.42593  3.5573       1.41082  2.27465  0.313439  1.80178  0.401852  
1 1 1 21 9  34 o 1.61712  0.292642  2.77987      0.911733 2.33374      1.26934  3.25533      1.31041  1.4569   0.415311  1.72203  0.389547  
1 1 1 21 9  35 o 0.59044  0.281729  -1.11577     0.919164 -0.974192    1.32164  -1.2484      1.27919  0.770088 0.357488  0.722549 0.340002  
1 1 1 21 9  36 o 3.14676  0.170864  10.0686      1.07533  10.8695      1.5114   9.24749      1.53028  3.24646  0.232776  2.98483  0.256343  
1 1 1 21 9  37 o 3.78015  0.150577  14.5012      1.1384   13.9088      1.60104  15.1069      1.619    3.6726   0.217972  3.83101  0.211302  
1 1 1 21 9  38 o 2.08311  0.245516  4.53743      1.02287  4.41843      1.46417  4.65087      1.42957  1.96925  0.385505  2.03343  0.364744  
1 1 1 21 9  39 o 1.13845  0.38475   1.43795      1.04153  1.3256       1.47488  1.54972      1.47103  1.1582   0.447517  1.20701  0.451919  
1 1 1 21 9  40 o 1.03212  0.378251  1.13988      1.02145  0.34024      1.3852   2.09296      1.51226  0.932832 0.403714  1.29949  0.461799  
1 1 1 21 9  41 o 1.85935  0.278771  3.81603      1.03667  4.84025      1.41033  2.61222      1.52898  2.01138  0.363946  1.39565  0.466169  
1 1 1 21 9  42 o 0.760082 0.338522  0.0405448    1.04457  0.222557     1.42121  -0.1733      1.54048  0.876395 0.392466  0.850553 0.391392  
1 1 1 21 9  43 o 0.923789 0.3701    0.978764     1.03776  2.37327      1.45278  -0.474211    1.48292  1.23845  0.451368  0.779876 0.366715  
1 1 1 21 9  44 o 0.657966 0.313865  -0.608088    1.13885  1.06235      1.64163  -2.15785     1.58123  0.939312 0.421193  0.644282 0.319953  
1 1 1 21 9  45 o 0.576404 0.284344  -1.31307     1.19047  -1.72851     1.75477  -0.958808    1.62041  0.659105 0.328648  0.683159 0.336488  
1 1 1 21 9  46 o 0.630072 0.308469  -0.520083    1.3079   -1.64611     1.74594  0.919848     1.97436  0.622085 0.313024  0.778199 0.380523  
1 1 1 21 10 0  o 6.19892  0.0804831 38.4492      0.997438 38.4492      0.997438 38.4492      0.997438 6.19983  0.056891  ?        ?         
1 1 1 21 10 1  f 12.473   0.0874022 155.607      2.18035  153.809      3.05402  157.476      3.1138   12.3996  0.12315   12.5465  0.12409   
1 1 1 21 10 2  o 7.51665  0.0604268 56.5052      0.908414 58.7982      1.33938  54.5518      1.23619  7.66726  0.0873444 7.38527  0.0836932 
1 1 1 21 10 3  o 17.6078  0.126575  310.156      4.45742  306.919      6.24372  313.52       6.36552  17.5121  0.178268  17.6993  0.179824  
1 1 1 21 10 4  o 4.26572  0.0534278 18.1976      0.455816 18.5151      0.645228 17.8813      0.644016 4.30262  0.0749808 4.22832  0.076155  
1 1 1 21 10 5  o 3.57602  0.0582455 12.789       0.416574 12.7505      0.586648 12.8281      0.591634 3.57049  0.0821523 3.58134  0.0825995 
1 1 1 21 10 6  o 16.8256  0.123408  283.203      4.15282  285.085      5.82877  281.263      5.9182   16.8785  0.172669  16.7647  0.176508  
1 1 1 21 10 7  o 5.14898  0.0562532 26.5139      0.579293 27.0948      0.804995 25.89        0.834277 5.20491  0.0773304 5.08783  0.0819876 
1 1 1 21 10 8  o 12.9044  0.0962772 166.553      2.48479  168.473      3.64683  164.89       3.39474  12.9771  0.14051   12.8387  0.132208  
1 1 1 21 10 9  o 15.3646  0.112558  236.124      3.45883  238.673      5.19802  234.099      4.63354  15.4451  0.168274  15.2971  0.151452  
1 1 1 21 10 10 o 16.9548  0.115559  287.526      3.91855  288.029      5.55403  287.027      5.52938  16.9677  0.163665  16.9382  0.163222  
1 1 1 21 10 11 o 7.5136   0.0646067 56.4576      0.970858 57.1274      1.41088  55.8551      1.33801  7.55778  0.0933399 7.47318  0.089521  
1 1 1 21 10 12 o 11.6835  0.0864828 136.52       2.02085  136.892      2.87184  136.155      2.84418  11.6988  0.122741  11.6672  0.121888  
1 1 1 21 10 13 o 16.6001  0.114175  275.618      3.79064  275.525      5.36172  275.712      5.35982  16.5956  0.16154   16.6013  0.161428  
1 1 1 21 10 14 o 33.0848  0.220477  1095.44      14.5889  1098.2       20.6906  1092.71      20.5734  33.1131  0.312423  33.0303  0.311432  
1 1 1 21 10 15 o 8.91186  0.0773123 79.4299      1.37799  81.3601      1.97646  77.6041      1.92223  9.019    0.109572  8.80836  0.109114  
1 1 1 21 10 16 o 16.8872  0.124501  285.268      4.20496  280.912      5.78702  290.14       6.1204   16.7553  0.172692  17.0279  0.179717  
1 1 1 21 10 17 o 8.43286  0.0796965 71.1228      1.34414  70.5886      1.85747  71.7101      1.94752  8.40059  0.110556  8.46697  0.115007  
1 1 1 21 10 18 o 15.2244  0.120274  231.862      3.6622   234.156      5.20915  229.619      5.14963  15.2969  0.170268  15.148   0.169977  
1 1 1 21 10 19 o 7.53518  0.0822133 56.7894      1.23898  57.7257      1.73713  55.8199      1.76764  7.59639  0.114339  7.46985  0.118318  
1 1 1 21 10 20 o 13.152   0.11753   173.05       3.09152  178.159      4.38196  167.987      4.36226  13.342   0.164217  12.9552  0.168359  
1 1 1 21 10 21 o 2.56735  0.168799  6.59859      0.866732 7.33897      1.21298  5.82619      1.23892  2.70639  0.224096  2.41063  0.25697   
1 1 1 21 10 22 o 5.37126  0.0974425 28.8638      1.04678  29.1043      1.45126  28.603       1.5113   5.39245  0.134564  5.34557  0.14136   
1 1 1 21 10 23 f 6.61907  0.0909443 43.8333      1.20393  44.0823      1.68108  43.5711      1.72501  6.63633  0.126657  6.59753  0.130732  
1 1 1 21 10 24 o 7.0725   0.0900429 50.0491      1.27366  49.5788      1.80788  50.5125      1.79464  7.03704  0.128454  7.10313  0.126328  
1 1 1 21 10 25 o 0.640456 0.292189  -0.565389    0.837505 1.54477      1.17763  -2.72487     1.19131  1.25471  0.409115  0.570641 0.282207  
1 1 1 21 10 26 o 10.2069  0.0952864 104.287      1.94515  105.39       2.80101  103.259      2.70332  10.2552  0.136565  10.1515  0.133148  
1 1 1 21 10 27 o 5.91405  0.0964125 35.0206      1.14038  36.1916      1.63396  33.9086      1.59233  6.00832  0.135974  5.81563  0.136901  
1 1 1 21 10 28 o 5.03371  0.104622  25.3829      1.05327  26.1936      1.51612  24.6266      1.46433  5.10884  0.148383  4.95373  0.147801  
1 1 1 21 10 29 f 3.40104  0.131566  11.606       0.894925 10.5988      1.23855  12.7063      1.29454  3.24412  0.190891  3.55316  0.182167  
1 1 1 21 10 30 o 2.17215  0.19839   4.75964      0.861865 4.29712      1.17871  5.29102      1.26341  2.05427  0.286894  2.28089  0.276956  
1 1 1 21 10 31 o 3.18556  0.155616  10.2156      0.991449 9.99144      1.37397  10.4591      1.43208  3.14046  0.218753  3.21232  0.222904  
1 1 1 21 10 32 o 2.89971  0.153741  8.47135      0.89161  8.49678      1.24094  8.44421      1.28192  2.89369  0.214421  2.88316  0.222311  
1 1 1 21 10 33 o 1.3715   0.352142  2.03781      0.970801 2.49914      1.37838  1.58372      1.36752  1.50899  0.433631  1.26333  0.4401    
1 1 1 21 10 34 o 2.15426  0.208212  4.72126      0.897085 5.23451      1.25354  4.18246      1.28436  2.25309  0.278182  2.00412  0.32043   
1 1 1 21 10 35 o 1.46193  0.326595  2.3323       0.930604 1.55095      1.33524  3.07035      1.29771  1.23435  0.434404  1.6574   0.396273  
1 1 1 21 10 36 o 1.10937  0.37341   1.28538      0.981047 1.18443      1.3648   1.3933       1.41118  1.14296  0.433466  1.19837  0.443827  
1 1 1 21 10 37 o 1.33395  0.364602  2.00439      1.00019  1.81831      1.40044  2.19813      1.42896  1.28848  0.4457    1.38701  0.450663  
1 1 1 21 10 38 o 0.674953 0.312506  -0.678297    1.00152  -1.35303     1.43363  -0.0351171   1.39971  0.752999 0.356177  0.906685 0.399062  
1 1 1 21 10 39 o 2.42845  0.225396  6.16217      1.09472  6.29828      1.56936  6.03318      1.52781  2.39843  0.327165  2.34859  0.325262  
1 1 1 21 10 40 o 0.848768 0.354737  0.41091      1.0069   1.2533       1.36455  -0.596055    1.4919   1.09765  0.429142  0.829187 0.382959  
1 1 1 21 10 41 o 1.99093  0.254396  4.31964      1.01297  3.24483      1.3598   5.65978      1.51839  1.58538  0.421486  2.20425  0.344424  
1 1 1 21 10 42 o 0.952526 0.375282  1.0036       1.0493   1.29303      1.44799  0.683538     1.52269  1.04964  0.430783  0.956203 0.418563  
1 1 1 21 10 43 o 0.633863 0.302133  -0.740111    1.05004  -1.23079     1.4363   -0.176773    1.53898  0.69321  0.335529  0.815139 0.381232  
1 1 1 21 10 44 f 0.823791 0.360843  0.622888     1.13325  1.71611      1.62309  -0.416983    1.58298  1.0263   0.44044   0.768461 0.367398  
1 1 1 21 10 45 o 0.851125 0.371776  1.14875      1.19604  0.599799     1.78223  1.59855      1.61327  0.807775 0.387065  0.905909 0.411202  
1 1 1 21 10 46 o 0.708196 0.336929  0.565096     1.29952  -0.234443    1.74796  1.55312      1.94309  0.674783 0.335278  0.789159 0.384246  
1 1 1 21 11 0  o 19.4366  0.201411  378.093      7.82761  378.093      7.82761  378.093      7.82761  19.4406  0.142373  ?        ?         
1 1 1 21 11 1  o 11.3466  0.0852944 128.769      1.93561  127.8        2.69098  129.809      2.78624  11.3029  0.11904   11.3912  0.122297  
1 1 1 21 11 2  o 16.0541  0.113066  257.815      3.63036  257.556      5.01805  258.098      5.2586   16.0437  0.156387  16.0601  0.163716  
1 1 1 21 11 3  o 17.2436  0.125704  297.456      4.3352   294.503      5.99945  300.683      6.27138  17.1547  0.174863  17.3333  0.180906  
1 1 1 21 11 4  o 13.9226  0.103075  193.887      2.87014  193.668      3.91524  194.141      4.21984  13.9131  0.140703  13.9296  0.15147   
1 1 1 21 11 5  o 10.7826  0.0850805 116.284      1.83478  117.257      2.57689  115.284      2.61302  10.8267  0.119006  10.7351  0.121704  
1 1 1 21 11 6  o 14.4923  0.108772  210.084      3.15271  212.052      4.49983  208.187      4.41849  14.558   0.154549  14.4248  0.153156  
1 1 1 21 11 7  o 19.5119  0.141884  380.872      5.53687  387.721      7.86764  374.152      7.79352  19.6825  0.199864  19.3349  0.201541  
1 1 1 21 11 8  o 11.0558  0.0840166 122.247      1.85774  124.037      2.70238  120.643      2.55805  11.1356  0.121339  10.9824  0.116462  
1 1 1 21 11 9  o 10.956   0.0824436 120.048      1.80651  121.1        2.58311  119.04       2.52737  11.0033  0.117379  10.9093  0.115836  
1 1 1 21 11 10 f 8.62889  0.0730045 74.4637      1.25989  79.3735      1.96406  71.0307      1.64232  8.90835  0.110237  8.42735  0.0974398 
1 1 1 21 11 11 o 18.9055  0.132373  357.512      5.00516  361.683      7.23944  353.691      6.92758  19.0128  0.190383  18.8019  0.184226  
1 1 1 21 11 12 o 7.67124  0.0660884 58.8518      1.01396  58.2719      1.41201  59.4692      1.45695  7.63311  0.0924928 7.7111   0.0944712 
1 1 1 21 11 13 o 13.2467  0.094143  175.5        2.49418  174.909      3.51517  176.099      3.53955  13.2235  0.132914  13.2684  0.133383  
1 1 1 21 11 14 o 16.4246  0.117966  269.829      3.87508  268.902      5.39654  270.815      5.56785  16.3944  0.164584  16.4525  0.16921   
1 1 1 21 11 15 o 9.53057  0.0788438 90.8427      1.50285  91.4655      2.08727  90.1723      2.16561  9.56266  0.109136  9.49471  0.114043  
1 1 1 21 11 16 o 3.83036  0.0910183 14.6742      0.697266 15.4819      1.0176   13.9593      0.95732  3.93402  0.129334  3.73557  0.128136  
1 1 1 21 11 17 o 9.72302  0.0866019 94.5528      1.68407  93.5907      2.35026  95.568       2.41429  9.67265  0.12149   9.77424  0.123503  
1 1 1 21 11 18 o 15.2853  0.130683  233.739      3.99507  231.214      5.59473  236.365      5.70669  15.1993  0.184045  15.3676  0.185673  
1 1 1 21 11 19 o 4.93998  0.0912229 24.4092      0.901279 23.0553      1.21393  26.0721      1.34539  4.80051  0.126437  5.10483  0.131776  
1 1 1 21 11 20 o 18.0677  0.14924   326.68       5.39285  328.47       7.55568  324.821      7.69963  18.1108  0.208596  18.0093  0.213769  
1 1 1 21 11 21 o 10.7522  0.0952798 115.653      2.04893  117.882      2.8644   113.319      2.93203  10.8533  0.13196   10.6408  0.137773  
1 1 1 21 11 22 o 3.16575  0.138576  10.0319      0.87739  10.054       1.19558  10.0061      1.29161  3.1679   0.188703  3.15984  0.204378  
1 1 1 21 11 23 o 6.67497  0.091906  44.5784      1.22694  44.3881      1.66629  44.8037      1.81333  6.6592   0.125112  6.68974  0.135531  
1 1 1 21 11 24 o 6.15891  0.0926092 37.9567      1.14074  38.7861      1.59559  37.0896      1.63152  6.22394  0.128182  6.08594  0.13404   
1 1 1 21 11 25 o 6.20607  0.0932882 38.549       1.15791  39.7241      1.65184  37.4137      1.62357  6.29731  0.131155  6.11131  0.132834  
1 1 1 21 11 26 o 2.79218  0.153585  7.81778      0.857673 7.72362      1.25757  7.89966      1.17274  2.77078  0.226934  2.80345  0.20916   
1 1 1 21 11 27 o 6.08972  0.0927716 37.1299      1.12991  36.1826      1.54363  38.2234      1.6584   6.00814  0.128461  6.17458  0.134292  
1 1 1 21 11 28 o 0.484143 0.238455  -1.73445     0.817416 -0.380768    1.17078  -3.02186     1.14176  0.813141 0.360585  0.529282 0.264081  
1 1 1 21 11 29 o 3.60846  0.127185  13.0632      0.917882 13.8481      1.28068  12.2342      1.31621  3.71028  0.172585  3.48536  0.18882   
1 1 1 21 11 30 o 3.50029  0.129093  12.2995      0.903726 12.2675      1.23638  12.3363      1.32427  3.48982  0.177141  3.4978   0.1893    
1 1 1 21 11 31 o 1.09529  0.351049  1.22227      0.869128 1.16038      1.19305  1.29225      1.2687   1.13469  0.409478  1.18293  0.422717  
1 1 1 21 11 32 o 4.33042  0.113441  18.8317      0.982496 19.0592      1.37641  18.5954      1.40288  4.34761  0.158295  4.29323  0.163383  
1 1 1 21 11 33 o 2.19278  0.219554  4.89102      0.962868 4.71189      1.39078  5.05592      1.33437  2.1301   0.326459  2.21252  0.30155   
1 1 1 21 11 34 o 0.797022 0.330602  0.217842     0.864367 0.0767521    1.20577  0.366992     1.23973  0.88959  0.380623  0.955669 0.396141  
1 1 1 21 11 35 o 0.861715 0.351579  0.37436      0.958827 0.967255     1.34259  -0.242806    1.36979  1.09761  0.426381  0.884374 0.391372  
1 1 1 21 11 36 o 1.79444  0.273265  3.3632       0.980714 1.46329      1.38621  5.26712      1.38767  1.20994  0.440912  2.23155  0.310922  
1 1 1 21 11 37 o 1.90589  0.268936  3.8165       1.02513  3.86863      1.45959  3.76575      1.4401   1.83326  0.408647  1.80863  0.407837  
1 1 1 21 11 38 o 1.13171  0.370959  1.40493      0.968209 1.00027      1.35912  1.82189      1.37962  1.08287  0.426958  1.27619  0.442286  
1 1 1 21 11 39 o 1.5047   0.353526  2.60934      1.04702  1.91895      1.48804  3.2863       1.4735   1.28661  0.457999  1.6406   0.439933  
1 1 1 21 11 40 o 0.618576 0.29547   -1.06386     1.01795  -1.83466     1.35327  -0.0593337   1.54488  0.663383 0.322335  0.906495 0.40747   
1 1 1 21 11 41 o 1.94204  0.27682   4.19085      1.07519  4.80067      1.4435   3.43092      1.61141  1.97885  0.378251  1.5731   0.473588  
1 1 1 21 11 42 o 0.585148 0.2841    -1.32206     1.04769  -1.0186      1.46128  -1.64306     1.50292  0.738612 0.353094  0.696424 0.338798  
1 1 1 21 11 43 o 0.795851 0.349392  0.392892     1.0674   -0.19522     1.46143  1.06536      1.56273  0.792087 0.370766  0.967299 0.42372   
1 1 1 21 11 44 o 0.733413 0.335834  0.0811518    1.11883  0.777257     1.58121  -0.61682     1.58333  0.88898  0.404468  0.747116 0.359645  
1 1 1 21 11 45 o 0.690522 0.325789  0.0314307    1.18955  -0.21072     1.7579   0.235973     1.61564  0.738248 0.360538  0.75992  0.365194  
1 1 1 21 12 0  o 9.03218  0.104589  81.6238      1.88876  81.6238      1.88876  81.6238      1.88876  9.03338  0.0739345 ?        ?         
1 1 1 21 12 1  o 9.09046  0.0741809 82.6472      1.34868  81.6734      1.894    83.6489      1.92092  9.03613  0.104801  9.14476  0.105028  
1 1 1 21 12 2  o 9.70733  0.0734453 94.2443      1.42591  93.6049      2.0307   94.8661      2.00269  9.67368  0.10496   9.73868  0.102821  
1 1 1 21 12 3  o 7.50975  0.0657301 56.4021      0.987233 54.9281      1.35449  58.0727      1.44193  7.41061  0.0913885 7.61973  0.0946181 
1 1 1 21 12 4  o 11.2534  0.0890462 126.663      2.00415  125.886      2.81598  127.46       2.85297  11.2178  0.125514  11.2877  0.126375  
1 1 1 21 12 5  o 10.3564  0.083812  107.273      1.73599  108.356      2.55003  106.337      2.36996  10.4077  0.122507  10.3104  0.11493   
1 1 1 21 12 6  o 15.9269  0.117369  253.738      3.73866  253.179      5.35027  254.271      5.22642  15.907   0.168174  15.9415  0.163925  
1 1 1 21 12 7  o 4.18362  0.0574282 17.5037      0.480516 18.0106      0.699146 17.05        0.661518 4.24362  0.0823762 4.12891  0.080108  
1 1 1 21 12 8  o 6.53005  0.0595807 42.6441      0.778129 43.5239      1.08405  41.7089      1.11759  6.59688  0.0821641 6.45783  0.0865301 
1 1 1 21 12 9  o 19.3313  0.137706  373.81       5.32408  380.398      7.74702  367.913      7.32911  19.4977  0.198665  19.1755  0.191106  
1 1 1 21 12 10 o 12.371   0.0895959 153.06       2.21678  152.396      3.12935  153.729      3.14069  12.3434  0.126762  12.3973  0.126669  
1 1 1 21 12 11 o 16.9534  0.119612  287.478      4.05565  290.554      5.86054  284.651      5.61825  17.0419  0.171946  16.8681  0.166535  
1 1 1 21 12 12 o 14.4451  0.101916  208.695      2.94439  209.22       4.21916  208.196      4.11096  14.4621  0.14587   14.4267  0.142477  
1 1 1 21 12 13 o 17.0224  0.117088  289.824      3.98622  290.085      5.64133  289.563      5.63342  17.0281  0.165647  17.0128  0.165564  
1 1 1 21 12 14 f 4.07019  0.0738416 16.5681      0.601099 17.5257      0.860512 15.6555      0.840023 4.18597  0.102785  3.95629  0.106163  
1 1 1 21 12 15 o 21.8318  0.149398  476.842      6.52324  474.608      9.08605  479.218      9.37106  21.7759  0.208627  21.8808  0.214139  
1 1 1 21 12 16 o 8.66617  0.0790775 75.1126      1.3706   74.6818      1.95716  75.5271      1.92001  8.64068  0.113253  8.6895   0.110479  
1 1 1 21 12 17 o 15.123   0.118741  228.779      3.59144  228.967      5.0728   228.59       5.08535  15.1267  0.167677  15.1142  0.168231  
1 1 1 21 12 18 o 20.9875  0.152139  440.739      6.38603  444.519      8.79158  436.517      9.29158  21.0716  0.208612  20.8795  0.222505  
1 1 1 21 12 19 o 2.8308   0.147508  8.01863      0.835133 7.68125      1.16541  8.37475      1.19735  2.76968  0.210387  2.89207  0.207006  
1 1 1 21 12 20 o 4.47812  0.107296  20.0617      0.960967 20.0549      1.32511  20.0693      1.39566  4.47651  0.148007  4.47794  0.155837  
1 1 1 21 12 21 o 11.4186  0.0999097 130.444      2.28166  132.825      3.23158  128.077      3.22196  11.5198  0.140262  11.3119  0.142415  
1 1 1 21 12 22 o 2.04189  0.215346  4.17988      0.879425 3.6961       1.16109  4.83085      1.34687  1.91775  0.302723  2.1923   0.307182  
1 1 1 21 12 23 o 7.34398  0.0902962 53.9626      1.32627  53.9101      1.80681  54.0239      1.95295  7.33869  0.123102  7.34582  0.132929  
1 1 1 21 12 24 o 3.74573  0.12242   14.0475      0.917107 14.0777      1.29235  14.0168      1.30167  3.74749  0.172429  3.73928  0.174054  
1 1 1 21 12 25 o 5.2969   0.0950974 28.0839      1.00744  27.3734      1.43472  28.775       1.41497  5.22681  0.137246  5.35935  0.132009  
1 1 1 21 12 26 o 5.37229  0.0960836 28.8944      1.03238  28.4403      1.46185  29.3462      1.45817  5.32674  0.137218  5.41114  0.134738  
1 1 1 21 12 27 o 3.14949  0.134461  9.94562      0.846963 9.77732      1.18247  10.1229      1.21371  3.11858  0.189585  3.17307  0.191253  
1 1 1 21 12 28 o 2.36799  0.179051  5.63918      0.847979 6.18711      1.22686  5.13799      1.17338  2.47389  0.247961  2.25316  0.260385  
1 1 1 21 12 29 o 0.542371 0.260811  -1.21091     0.827271 -1.27008     1.12327  -1.14077     1.22295  0.670274 0.316338  0.726174 0.339709  
1 1 1 21 12 30 o 2.32556  0.192771  5.45708      0.896598 5.87282      1.22212  4.9725       1.31943  2.40461  0.25412   2.20608  0.299044  
1 1 1 21 12 31 o 3.80784  0.125536  14.5664      0.956042 15.2172      1.35117  13.9138      1.35293  3.88392  0.173944  3.71228  0.182223  
1 1 1 21 12 32 o 0.770457 0.327596  0.0567718    0.883405 -0.69412     1.23875  0.833861     1.26017  0.783419 0.356857  1.06442  0.413169  
1 1 1 21 12 33 o 4.61246  0.121975  21.3921      1.12521  21.5132      1.59898  21.2733      1.5837   4.61245  0.173333  4.58686  0.172634  
1 1 1 21 12 34 o 2.11043  0.215174  4.54276      0.908217 4.35173      1.28668  4.73245      1.28215  2.04261  0.314961  2.13406  0.300402  
1 1 1 21 12 35 o 3.32007  0.158613  11.1702      1.05321  9.61482      1.44847  12.9151      1.53415  3.05537  0.237038  3.54986  0.216086  
1 1 1 21 12 36 o 2.58096  0.198555  6.82136      1.02492  6.79244      1.43537  6.85145      1.46397  2.54489  0.28201   2.55397  0.286607  
1 1 1 21 12 37 o 2.55199  0.202528  6.70824      1.0337   7.13756      1.46117  6.2781       1.46257  2.59771  0.281242  2.4265   0.301375  
1 1 1 21 12 38 o 0.700606 0.31826   -0.413454    0.970567 0.232719     1.37327  -1.05835     1.37191  0.939024 0.404123  0.76162  0.356991  
1 1 1 21 12 39 o 1.08574  0.375185  1.30039      0.992141 0.895282     1.35238  1.77255      1.46     1.04018  0.420096  1.24444  0.452592  
1 1 1 21 12 40 o 0.878825 0.361799  0.543676     1.02452  -0.185943    1.35447  1.51935      1.5663   0.8395   0.37921   1.16655  0.458854  
1 1 1 21 12 41 o 0.779254 0.346682  0.00532695   1.09286  0.123903     1.47952  -0.137058    1.62126  0.893013 0.400158  0.890539 0.406349  
1 1 1 21 12 42 o 1.13695  0.385613  1.70909      1.04621  1.86626      1.45117  1.53898      1.50971  1.15772  0.444653  1.09272  0.442809  
1 1 1 21 12 43 o 1.37463  0.389958  2.72727      1.12173  0.949551     1.57903  4.53845      1.59382  0.941766 0.418048  1.69006  0.459507  
1 1 1 21 12 44 o 0.772761 0.349324  0.378391     1.1515   2.99405      1.61166  -2.34933     1.64582  1.22622  0.469282  0.635974 0.317278  
1 1 1 21 12 45 o 0.498982 0.251649  -2.40935     1.16495  -2.7373      1.70731  -2.12365     1.59355  0.598515 0.301871  0.607092 0.303838  
1 1 1 21 13 0  o 1.68304  0.131758  2.88493      0.437256 2.88493      0.437256 2.88493      0.437256 1.69095  0.0920474 ?        ?         
1 1 1 21 13 1  o 12.4257  0.0858848 154.425      2.13436  154.817      3.0266   154.036      3.01034  12.4404  0.121644  12.409   0.121297  
1 1 1 21 13 2  o 13.4221  0.0940631 180.191      2.52506  181.442      3.59678  178.975      3.5457   13.4672  0.133539  13.3754  0.132546  
1 1 1 21 13 3  o 6.3849   0.0587235 40.7701      0.749886 41.9338      1.07964  39.6854      1.04234  6.47511  0.0833686 6.29914  0.0827367 
1 1 1 21 13 4  o 2.15128  0.0794564 4.62862      0.341866 4.62624      0.475729 4.63116      0.491605 2.15059  0.110604  2.15171  0.114236  
1 1 1 21 13 5  o 9.07415  0.0707404 82.3484      1.28382  81.9198      1.81242  82.7801      1.81878  9.05004  0.100133  9.09744  0.0999613 
1 1 1 21 13 6  o 9.47658  0.073622  89.8145      1.39537  90.0009      1.98433  89.6321      1.96255  9.48591  0.104594  9.46647  0.103658  
1 1 1 21 13 7  o 11.3759  0.0875178 129.427      1.99118  128.595      2.84862  130.222      2.78439  11.3384  0.125618  11.41    0.122015  
1 1 1 21 13 8  o 12.3579  0.0888212 152.737      2.19529  153.902      3.20504  151.707      3.01306  12.4041  0.129193  12.3155  0.122328  
1 1 1 21 13 9  o 13.2848  0.099032  176.512      2.63125  178.718      3.76911  174.416      3.67498  13.3666  0.14099   13.2047  0.139154  
1 1 1 21 13 10 o 14.0295  0.103248  196.858      2.89703  200.722      4.1292   193.113      4.06558  14.1654  0.14575   13.8943  0.146304  
1 1 1 21 13 11 o 10.0667  0.0755085 101.348      1.52025  100.3        2.13596  102.424      2.16424  10.0141  0.106647  10.1196  0.106933  
1 1 1 21 13 12 o 13.9319  0.0977818 194.125      2.72457  192.365      3.82733  195.934      3.87945  13.8675  0.137996  13.9956  0.138595  
1 1 1 21 13 13 o 24.9696  0.169244  623.779      8.4519   623.443      12.0769  624.101      11.8324  24.9564  0.24196   24.9701  0.236932  
1 1 1 21 13 14 o 9.36704  0.0762033 87.7512      1.4276   88.1128      2.04162  87.4051      1.99697  9.38577  0.108762  9.34804  0.106812  
1 1 1 21 13 15 o 15.2786  0.107812  233.492      3.29443  231.342      4.62114  235.715      4.69785  15.2063  0.151949  15.3493  0.153032  
1 1 1 21 13 16 o 5.63348  0.0773928 31.7403      0.871982 32.546       1.24673  30.9687      1.22004  5.70416  0.109282  5.56422  0.109633  
1 1 1 21 13 17 o 21.1781  0.156548  448.779      6.63078  458.137      9.43186  439.635      9.32375  21.3915  0.220458  20.9549  0.222472  
1 1 1 21 13 18 o 4.61354  0.093717  21.2899      0.864734 21.4335      1.19138  21.13        1.25711  4.62858  0.128698  4.59555  0.136774  
1 1 1 21 13 19 o 11.8663  0.106892  140.859      2.53682  141.625      3.60349  140.106      3.57194  11.8963  0.151454  11.8324  0.150939  
1 1 1 21 13 20 o 2.4733   0.165038  6.12368      0.816376 6.48359      1.12176  5.71843      1.19035  2.54387  0.220483  2.38842  0.249192  
1 1 1 21 13 21 o 9.12077  0.0942068 83.2241      1.71848  80.7664      2.35746  86.0108      2.51033  8.98327  0.131214  9.27008  0.135399  
1 1 1 21 13 22 o 8.09829  0.0916172 65.614       1.48388  65.1572      2.0643   66.1023      2.13452  8.0682   0.127928  8.12629  0.131334  
1 1 1 21 13 23 o 7.57191  0.0900612 57.366       1.36387  58.2355      1.8772   56.3939      1.9849   7.62717  0.12306   7.50499  0.132239  
1 1 1 21 13 24 o 3.02948  0.14492   9.19465      0.878063 9.28323      1.20897  9.09576      1.27739  3.04155  0.198743  3.00995  0.212194  
1 1 1 21 13 25 o 0.896124 0.328965  0.649298     0.772883 0.878978     1.07964  0.407871     1.10691  1.04932  0.388291  0.942885 0.380367  
1 1 1 21 13 26 f 5.55557  0.0961823 30.9017      1.06869  30.6959      1.52962  31.0981      1.49375  5.53347  0.138215  5.57001  0.134088  
1 1 1 21 13 27 o 3.15688  0.133746  9.99314      0.844442 10.7946      1.18939  9.17856      1.19911  3.27717  0.181466  3.02042  0.198501  
1 1 1 21 13 28 o 3.32147  0.130745  11.067       0.86853  10.1279      1.1911   12.1332      1.26919  3.1721   0.187746  3.47255  0.182746  
1 1 1 21 13 29 o 6.2315   0.096693  38.9083      1.20508  38.808       1.69366  39.0112      1.71504  6.21752  0.1362    6.23354  0.137566  
1 1 1 21 13 30 f 2.65156  0.173365  7.0849       0.919377 7.90861      1.26455  6.16129      1.33904  2.79405  0.226293  2.45907  0.272266  
1 1 1 21 13 31 o 2.12961  0.200351  4.59012      0.853339 4.9563       1.20916  4.22678      1.20446  2.20146  0.274628  2.02922  0.296778  
1 1 1 21 13 32 o 8.71931  0.104106  76.3219      1.81546  78.3793      2.60393  74.3759      2.53245  8.81862  0.147638  8.59057  0.147397  
1 1 1 21 13 33 o 1.36905  0.331861  2.02856      0.900512 2.96818      1.31001  1.1868       1.23991  1.64116  0.401794  1.14071  0.416868  
1 1 1 21 13 34 o 1.00719  0.351473  0.98596      0.872514 1.35997      1.23811  0.616974     1.22977  1.17606  0.417858  0.998972 0.401778  
1 1 1 21 13 35 o 1.86703  0.268083  3.62519      1.00104  2.05745      1.38166  5.35744      1.45234  1.36326  0.443141  2.25005  0.322735  
1 1 1 21 13 36 o 4.09586  0.137979  16.9754      1.13028  18.7466      1.5995   15.2089      1.59743  4.28283  0.186734  3.84786  0.207574  
1 1 1 21 13 37 o 2.29734  0.214896  5.45999      0.98738  6.0225       1.41101  4.92023      1.38217  2.37726  0.296772  2.13638  0.323485  
1 1 1 21 13 38 o 0.634438 0.29794   -0.867041    0.972162 -0.847437    1.37271  -0.886767    1.37699  0.784078 0.364115  0.780774 0.36339   
1 1 1 21 13 39 o 1.03651  0.37149   1.14931      0.980473 2.00171      1.35905  0.22411      1.41589  1.28963  0.439501  0.929875 0.405354  
1 1 1 21 13 40 o 1.44345  0.356501  2.49626      1.02444  1.51584      1.44765  3.47972      1.4499   1.1527   0.443786  1.64919  0.433756  
1 1 1 21 13 41 o 1.38293  0.377078  2.42697      1.0714   2.48559      1.45017  2.35652      1.58982  1.33885  0.453995  1.29697  0.472228  
1 1 1 21 13 42 o 2.66593  0.210897  7.71683      1.12448  7.68374      1.53667  7.75497      1.64985  2.55864  0.30029   2.53855  0.32496   
1 1 1 21 13 43 o 0.789508 0.351137  0.367073     1.12036  0.979603     1.51876  -0.364177    1.65942  0.93292  0.412575  0.797316 0.379989  
1 1 1 21 13 44 o 0.644836 0.30785   -0.437618    1.10127  -1.09235     1.55579  0.219894     1.55909  0.682871 0.334892  0.791396 0.373262  
1 1 1 21 13 45 o 0.760228 0.349182  0.537282     1.21989  2.83659      1.82301  -1.32715     1.64159  1.04484  0.457669  0.65794  0.326635  
1 1 1 21 14 0  o 16.665   0.166378  277.888      5.54412  277.888      5.54412  277.888      5.54412  16.6675  0.117616  ?        ?         
1 1 1 21 14 1  o 2.55853  0.0670694 6.54673      0.343199 7.07076      0.492249 6.05104      0.478746 2.65884  0.0925682 2.45963  0.0973206 
1 1 1 21 14 2  o 15.7626  0.109199  248.522      3.44254  251.033      4.91358  246.101      4.82461  15.84    0.155101  15.6837  0.15381   
1 1 1 21 14 3  o 12.0698  0.0880425 145.704      2.12532  145.262      3.00061  146.148      3.01073  12.0506  0.124501  12.0873  0.124541  
1 1 1 21 14 4  o 7.35238  0.0675554 54.0622      0.993386 52.911       1.38491  55.2822      1.42569  7.27335  0.0952046 7.43454  0.0958831 
1 1 1 21 14 5  o 11.1411  0.082789  124.139      1.84472  123.182      2.59491  125.117      2.62298  11.0974  0.116915  11.1842  0.117263  
1 1 1 21 14 6  o 26.9585  0.192255  727.213      10.3658  727.478      15.0254  726.972      14.319   26.9539  0.278725  26.9461  0.265697  
1 1 1 21 14 7  o 18.5669  0.139251  344.836      5.17093  345.193      7.23872  344.465      7.3892   18.5737  0.194864  18.5539  0.199128  
1 1 1 21 14 8  o 7.71552  0.0643244 59.5328      0.992592 60.6948      1.42427  58.4355      1.38407  7.7902   0.0914143 7.64384  0.0905347 
1 1 1 21 14 9  o 12.5783  0.0926489 158.234      2.33073  158.614      3.30321  157.857      3.28914  12.5926  0.131157  12.5625  0.130911  
1 1 1 21 14 10 o 4.73074  0.0621671 22.3811      0.588193 24.0543      0.865248 20.9436      0.802008 4.90423  0.0882145 4.57616  0.087629  
1 1 1 21 14 11 o 2.03067  0.1026    4.12429      0.416696 3.61691      0.581957 4.6581       0.596922 1.90148  0.153028  2.15795  0.138308  
1 1 1 21 14 12 o 12.2244  0.0893688 149.455      2.18496  150.094      3.06529  148.796      3.11532  12.2497  0.125117  12.1966  0.127713  
1 1 1 21 14 13 o 13.1977  0.0942524 174.207      2.48782  172.711      3.49207  175.748      3.54516  13.1398  0.132881  13.2548  0.133731  
1 1 1 21 14 14 o 24.7335  0.167934  612.098      8.3072   614.794      11.9274  609.558      11.5767  24.7804  0.240662  24.6754  0.234581  
1 1 1 21 14 15 f 6.30558  0.0726507 39.7648      0.91621  40.2485      1.31643  39.3103      1.27595  6.34344  0.103763  6.2691   0.101765  
1 1 1 21 14 16 o 22.1337  0.16696   490.21       7.39089  496.781      10.7254  484.269      10.1991  22.2739  0.240761  21.9926  0.231875  
1 1 1 21 14 17 o 12.2497  0.101023  150.093      2.475    150.783      3.55163  149.441      3.45091  12.2761  0.144656  12.2215  0.141182  
1 1 1 21 14 18 o 15.4299  0.115227  238.174      3.55591  238.737      5.09237  237.639      4.96758  15.445   0.164855  15.4097  0.161183  
1 1 1 21 14 19 o 4.8888   0.107736  23.9096      1.0534   24.7793      1.48039  23.0177      1.49925  4.97603  0.148752  4.79571  0.156312  
1 1 1 21 14 20 o 5.37775  0.0900937 28.9302      0.969003 28.2219      1.34376  29.6976      1.39864  5.31059  0.126517  5.4476   0.128372  
1 1 1 21 14 21 o 14.9894  0.126252  224.867      3.7849   228.289      5.47073  221.726      5.24192  15.0965  0.181192  14.8786  0.176156  
1 1 1 21 14 22 o 6.62559  0.0885762 43.9195      1.17374  44.3703      1.58529  43.3725      1.74618  6.6582   0.119048  6.58222  0.132644  
1 1 1 21 14 23 o 4.73956  0.103804  22.4813      0.983974 23.068       1.30521  21.7088      1.49766  4.7996   0.13597   4.65477  0.160874  
1 1 1 21 14 24 o 5.61761  0.0956929 31.5853      1.07513  32.2601      1.50389  30.8799      1.5376   5.67503  0.1325    5.55187  0.138476  
1 1 1 21 14 25 o 2.76584  0.152689  7.67012      0.844626 7.04716      1.20214  8.27746      1.18697  2.64689  0.227085  2.87008  0.206784  
1 1 1 21 14 26 o 2.89822  0.14832   8.42517      0.859727 9.20444      1.18945  7.57268      1.24407  3.02581  0.19655   2.74212  0.226845  
1 1 1 21 14 27 o 4.18332  0.109496  17.534       0.916115 16.6465      1.2751   18.4809      1.31708  4.07189  0.156574  4.29073  0.15348   
1 1 1 21 14 28 o 8.35483  0.0912831 69.9157      1.52531  70.2568      2.11639  69.547       2.20028  8.36901  0.126442  8.32545  0.132142  
1 1 1 21 14 29 o 4.13922  0.115023  17.1832      0.952213 17.2462      1.35608  17.1218      1.33738  4.1407   0.16375   4.12599  0.162068  
1 1 1 21 14 30 o 2.22022  0.197087  4.98125      0.875155 4.43655      1.2136   5.57139      1.2632   2.0827   0.291352  2.33757  0.270195  
1 1 1 21 14 31 o 2.50594  0.179928  6.34309      0.901778 5.93776      1.25861  6.77066      1.29268  2.41115  0.260999  2.57676  0.250835  
1 1 1 21 14 32 o 5.04187  0.115871  25.5433      1.16841  23.5853      1.60222  27.7671      1.70756  4.83246  0.165777  5.24432  0.162801  
1 1 1 21 14 33 o 0.759054 0.32342   0.0503271    0.864212 -0.254416    1.2336   0.344038     1.21107  0.843906 0.372698  0.943139 0.391277  
1 1 1 21 14 34 o 1.22031  0.342683  1.62425      0.870538 1.82911      1.23439  1.42155      1.22789  1.29987  0.418537  1.18755  0.416709  
1 1 1 21 14 35 o 2.88833  0.178541  8.49497      1.03137  7.49598      1.41241  9.63615      1.50958  2.68493  0.263026  3.05093  0.247397  
1 1 1 21 14 36 o 1.09023  0.376446  1.22937      0.998662 -0.0742538   1.39584  2.59643      1.4294   0.908069 0.399097  1.4966   0.445131  
1 1 1 21 14 37 o 0.898077 0.356345  0.588782     0.952289 -1.59015     1.34957  2.74954      1.34393  0.70214  0.336538  1.52971  0.424556  
1 1 1 21 14 38 o 1.96961  0.253369  4.09738      0.99808  3.77697      1.39755  4.43091      1.42587  1.79479  0.399725  1.9641   0.376408  
1 1 1 21 14 39 o 1.61122  0.320133  2.95847      0.99496  3.24822      1.38481  2.6493       1.43047  1.62     0.422907  1.44842  0.448283  
1 1 1 21 14 40 o 2.0907   0.250522  4.72601      1.04753  4.41766      1.4612   5.05205      1.50253  1.89373  0.398372  2.045    0.381559  
1 1 1 21 14 41 o 1.08444  0.385256  1.4621       1.05242  1.3605       1.46616  1.57009      1.51157  1.07878  0.436699  1.12246  0.447826  
1 1 1 21 14 42 o 0.786471 0.347124  0.223356     1.06794  -0.214239    1.42138  0.790598     1.6183   0.805525 0.372705  0.968922 0.427525  
1 1 1 21 14 43 o 1.13559  0.393728  1.96342      1.09341  2.42756      1.53575  1.48626      1.55712  1.1728   0.455934  1.00199  0.430751  
1 1 1 21 14 44 o 0.718054 0.330278  0.231797     1.09566  0.258914     1.52687  0.203011     1.57317  0.77898  0.368047  0.778329 0.370492  
1 1 1 21 14 45 o 0.722054 0.339608  0.263548     1.27329  -1.50808     1.91693  1.66239      1.70335  0.676154 0.338041  0.891169 0.410675  
1 1 1 21 15 0  o 25.5781  0.252281  654.827      12.9029  654.827      12.9029  654.827      12.9029  25.5838  0.178331  ?        ?         
1 1 1 21 15 1  o 20.4553  0.141383  418.577      5.78406  417.197      8.24435  419.914      8.11692  20.4174  0.201895  20.4841  0.198128  
1 1 1 21 15 2  o 6.06875  0.0543604 36.8317      0.6598   36.7745      0.931398 36.8893      0.934807 6.06386  0.076799  6.07332  0.0769602 
1 1 1 21 15 3  o 4.10485  0.0575966 16.8508      0.472851 16.7503      0.667309 16.9522      0.670124 4.09247  0.0815289 4.11705  0.081384  
1 1 1 21 15 4  o 3.96836  0.0607831 15.7489      0.482419 16.1766      0.712327 15.3865      0.655676 4.02174  0.0885595 3.92233  0.0835825 
1 1 1 21 15 5  o 7.33564  0.0684503 53.8158      1.00425  54.5334      1.40297  53.0618      1.43814  7.38411  0.094999  7.28376  0.0987227 
1 1 1 21 15 6  o 14.6228  0.118009  213.871      3.45125  220.787      5.09968  208.028      4.68788  14.8554  0.171644  14.4202  0.162546  
1 1 1 21 15 7  o 16.3788  0.122294  268.324      4.00605  267.651      5.52105  269.073      5.82171  16.3566  0.168772  16.3996  0.177495  
1 1 1 21 15 8  o 22.5445  0.152791  508.427      6.88918  508.248      9.65196  508.612      9.8362   22.5366  0.214139  22.5444  0.218152  
1 1 1 21 15 9  o 5.08793  0.0695776 25.8889      0.708013 25.3096      0.981658 26.5171      1.02213  5.0305   0.0975706 5.14909  0.0992537 
1 1 1 21 15 10 o 16.0847  0.110487  258.763      3.55428  260.014      5.05119  257.536      5.00221  16.1219  0.156656  16.045   0.155881  
1 1 1 21 15 11 o 7.86398  0.0671969 61.8465      1.05687  62.174       1.47739  61.5032      1.51251  7.8845   0.0936895 7.84182  0.0964387 
1 1 1 21 15 12 o 14.8871  0.103646  221.667      3.08599  220.589      4.34477  222.765      4.38399  14.8495  0.146294  14.9225  0.146892  
1 1 1 21 15 13 o 16.1958  0.112042  262.367      3.62921  261.463      5.11729  263.282      5.1478   16.1659  0.158275  16.222   0.158667  
1 1 1 21 15 14 o 16.2852  0.113357  265.28       3.69208  266.106      5.2351   264.462      5.2078   16.3084  0.160503  16.2579  0.160162  
1 1 1 21 15 15 o 5.06771  0.0763651 25.6849      0.773992 24.8727      1.05649  26.6259      1.13714  4.98664  0.105932  5.15934  0.110202  
1 1 1 21 15 16 o 21.7662  0.160042  474.059      6.96704  476.023      9.76952  472.027      9.93842  21.8048  0.224022  21.7125  0.228864  
1 1 1 21 15 17 o 4.80822  0.099497  23.1251      0.956807 21.3132      1.41542  24.6499      1.2984   4.61515  0.153345  4.96372  0.130789  
1 1 1 21 15 18 o 8.71068  0.0905157 75.895       1.57691  76.6019      2.19725  75.1441      2.26444  8.75014  0.125555  8.66631  0.130646  
1 1 1 21 15 19 o 6.79182  0.0976577 46.1449      1.32655  47.9656      1.88819  44.3704      1.86408  6.92334  0.136364  6.6587   0.139973  
1 1 1 21 15 20 o 3.76054  0.107699  14.1492      0.810013 14.5086      1.13041  13.7699      1.16128  3.80706  0.148462  3.70868  0.156563  
1 1 1 21 15 21 o 9.99561  0.0987831 99.9658      1.97479  98.7463      2.72962  101.305      2.86054  9.93199  0.137416  10.0595  0.142181  
1 1 1 21 15 22 o 6.47567  0.0859018 41.9544      1.11254  41.2248      1.5168   42.8039      1.63679  6.41771  0.118173  6.53911  0.125154  
1 1 1 21 15 23 o 5.25904  0.0993321 27.6792      1.04478  27.8377      1.42618  27.4957      1.53489  5.27226  0.135253  5.23911  0.146484  
1 1 1 21 15 24 o 5.36301  0.0951576 28.7889      1.02066  28.8336      1.46387  28.7467      1.42383  5.36454  0.13644   5.35671  0.132901  
1 1 1 21 15 25 o 4.74856  0.100472  22.5762      0.954192 22.1952      1.33157  22.9783      1.36803  4.70551  0.141491  4.78768  0.14287   
1 1 1 21 15 26 o 2.68331  0.150665  7.22362      0.808561 7.53824      1.11027  6.86831      1.17986  2.73746  0.202791  2.61114  0.225929  
1 1 1 21 15 27 f 6.80206  0.0882295 46.3294      1.20028  46.1198      1.6828   46.5465      1.71251  6.78219  0.12406   6.81326  0.125675  
1 1 1 21 15 28 o 4.56723  0.103127  20.9041      0.942012 22.0206      1.30253  19.6797      1.36401  4.68357  0.139053  4.42568  0.154102  
1 1 1 21 15 29 o 2.50939  0.168907  6.33862      0.847706 6.40349      1.19797  6.27356      1.19971  2.51408  0.238252  2.48806  0.241093  
1 1 1 21 15 30 o 3.25168  0.139226  10.6311      0.905439 12.7908      1.29537  8.56796      1.2661   3.56     0.181934  2.90792  0.217698  
1 1 1 21 15 31 o 2.01937  0.214972  4.13869      0.868216 3.71422      1.18413  4.63218      1.27678  1.89719  0.312075  2.121    0.300986  
1 1 1 21 15 32 o 2.90466  0.16686   8.52113      0.96934  7.29072      1.34037  9.87022      1.40352  2.6699   0.251015  3.11323  0.225412  
1 1 1 21 15 33 o 1.34351  0.328946  1.95512      0.877996 1.24671      1.26165  2.62039      1.22262  1.15805  0.42077   1.54195  0.394756  
1 1 1 21 15 34 o 1.87419  0.249886  3.62333      0.936666 3.33302      1.32335  3.91478      1.32595  1.72969  0.391592  1.89014  0.363734  
1 1 1 21 15 35 o 2.72102  0.179037  7.54271      0.97433  8.4381       1.36933  6.62452      1.38665  2.8572   0.239628  2.51853  0.27529   
1 1 1 21 15 36 o 2.91556  0.184093  8.69319      1.07347  8.06869      1.49517  9.35754      1.54214  2.77385  0.269511  2.99319  0.257609  
1 1 1 21 15 37 o 2.18407  0.21939   4.94487      0.958325 4.50024      1.33951  5.41107      1.37161  2.03922  0.328437  2.24782  0.305098  
1 1 1 21 15 38 o 3.44921  0.155191  12.1496      1.07057  11.9717      1.50229  12.3332      1.52603  3.38729  0.221754  3.43793  0.221941  
1 1 1 21 15 39 o 2.2252   0.227633  5.24608      1.01306  5.40604      1.40017  5.07034      1.46756  2.2004   0.318162  2.1096   0.347829  
1 1 1 21 15 40 o 1.88051  0.277227  3.90116      1.04265  4.02611      1.45601  3.76965      1.49379  1.78404  0.415435  1.70445  0.436334  
1 1 1 21 15 41 o 0.877268 0.362519  0.666099     1.0332   1.13435      1.45622  0.191439     1.46615  1.02708  0.42776   0.880843 0.396389  
1 1 1 21 15 42 o 0.926638 0.37289   0.976819     1.06011  1.46735      1.42991  0.378118     1.57972  1.05017  0.429052  0.896086 0.406786  
1 1 1 21 15 43 o 0.547318 0.270186  -1.64257     1.07967  0.46253      1.50588  -3.86938     1.5488   0.853325 0.390273  0.552623 0.27979   
1 1 1 21 15 44 o 0.674722 0.316494  -0.0409222   1.0856   -1.50729     1.5265   1.45963      1.54419  0.635454 0.315404  0.905554 0.407195  
1 1 1 21 15 45 o 0.547594 0.273686  -1.6989      1.25204  -2.96488     1.86825  -0.666741    1.68692  0.595733 0.302808  0.678087 0.335459  
1 1 1 21 16 0  o 18.5955  0.190073  346.009      7.06733  346.009      7.06733  346.009      7.06733  18.5984  0.134365  ?        ?         
1 1 1 21 16 1  o 16.8384  0.113948  283.595      3.8374   284.282      5.43599  282.914      5.41786  16.8568  0.16124   16.8162  0.16109   
1 1 1 21 16 2  o 16.5001  0.113057  272.313      3.7309   270.164      5.17936  274.632      5.37888  16.4332  0.157589  16.5683  0.162325  
1 1 1 21 16 3  o 24.7224  0.174187  611.504      8.61267  612.955      12.0657  609.996      12.2979  24.7457  0.243795  24.6853  0.249094  
1 1 1 21 16 4  o 6.57289  0.0600124 43.2053      0.788909 42.0863      1.07974  44.4868      1.15548  6.48703  0.0832231 6.66944  0.0866247 
1 1 1 21 16 5  o 15.1363  0.112516  229.152      3.40614  231.593      4.8127   226.702      4.82133  15.2152  0.158154  15.0536  0.160138  
1 1 1 21 16 6  o 13.7363  0.100576  188.713      2.76308  187.738      3.9361   189.661      3.87967  13.6996  0.143657  13.7697  0.140877  
1 1 1 21 16 7  o 21.9428  0.16135   481.672      7.08097  485.876      10.0998  477.608      9.93033  22.0339  0.229188  21.8458  0.227283  
1 1 1 21 16 8  o 16.3336  0.113925  266.836      3.72161  263.87       5.21586  269.913      5.31174  16.2409  0.160578  16.4258  0.161689  
1 1 1 21 16 9  o 12.621   0.0918863 159.311      2.3194   158.985      3.31003  159.625      3.25103  12.6073  0.131275  12.6327  0.128675  
1 1 1 21 16 10 o 7.68947  0.0645351 59.1316      0.992482 59.6668      1.41718  58.6165      1.39037  7.72393  0.0917393 7.65565  0.0908068 
1 1 1 21 16 11 o 24.2768  0.162638  589.623      7.89668  592.839      11.2197  586.467      11.1162  24.3373  0.230504  24.2063  0.229614  
1 1 1 21 16 12 o 8.13425  0.0687195 66.1718      1.11796  66.0481      1.58247  66.295       1.5796   8.12628  0.0973677 8.14145  0.09701   
1 1 1 21 16 13 o 15.8444  0.110176  251.108      3.49135  251.421      4.94573  250.798      4.92933  15.8523  0.155994  15.8327  0.15567   
1 1 1 21 16 14 o 5.24756  0.0711828 27.5398      0.747072 27.3899      1.03206  27.7048      1.0828   5.233    0.0986111 5.26294  0.10287   
1 1 1 21 16 15 o 17.5889  0.127208  309.483      4.47489  309.219      6.32278  309.749      6.33415  17.5781  0.179848  17.5932  0.180017  
1 1 1 21 16 16 o 20.3824  0.152766  415.686      6.22747  420.396      8.68435  410.7        8.93495  20.4918  0.211898  20.2532  0.220581  
1 1 1 21 16 17 o 6.54664  0.0840081 42.8671      1.09994  42.5872      1.56312  43.1417      1.54809  6.52455  0.119788  6.56693  0.11787   
1 1 1 21 16 18 o 6.23388  0.088878  38.8712      1.10811  38.0263      1.56341  39.7242      1.57082  6.16493  0.126799  6.30112  0.124646  
1 1 1 21 16 19 o 4.59005  0.104107  21.0779      0.955715 20.6875      1.32909  21.4958      1.37526  4.54636  0.146171  4.63426  0.14838   
1 1 1 21 16 20 o 8.33513  0.0974566 69.507       1.62463  66.6413      2.23875  72.695       2.36129  8.15962  0.137185  8.5221   0.138539  
1 1 1 21 16 21 o 6.663    0.0924859 44.4178      1.23247  45.0265      1.68898  43.7245      1.8025   6.70707  0.12591   6.60886  0.13637   
1 1 1 21 16 22 o 3.68374  0.111144  13.5816      0.81885  13.3473      1.13592  13.835       1.18148  3.65029  0.155593  3.71624  0.158962  
1 1 1 21 16 23 o 5.64192  0.098317  31.8581      1.10939  30.8507      1.51974  33.0074      1.6232   5.54978  0.136919  5.74018  0.141389  
1 1 1 21 16 24 o 1.24848  0.301165  1.63699      0.744418 2.06974      1.03077  1.16523      1.07623  1.40252  0.364275  1.12672  0.390624  
1 1 1 21 16 25 o 6.05514  0.0897602 36.7026      1.08702  36.5927      1.51232  36.8201      1.56352  6.04312  0.125128  6.06149  0.128971  
1 1 1 21 16 26 o 1.70167  0.22444   2.91755      0.763847 2.13234      1.04645  3.81307      1.11754  1.41922  0.366299  1.94056  0.287942  
1 1 1 21 16 27 o 7.48457  0.0874159 56.0958      1.30854  56.1801      1.84517  56.0104      1.85599  7.48508  0.123257  7.47361  0.124169  
1 1 1 21 16 28 o 4.9817   0.0990451 24.8677      0.986826 27.0861      1.37593  22.5179      1.4161   5.19507  0.132427  4.73443  0.149554  
1 1 1 21 16 29 o 2.19065  0.197128  4.8445       0.863676 5.15254      1.22107  4.5361       1.22178  2.2498   0.271372  2.10833  0.28975   
1 1 1 21 16 30 o 0.691909 0.301511  -0.116055    0.782781 0.168195     1.08453  -0.425173    1.13097  0.872775 0.366639  0.783955 0.350612  
1 1 1 21 16 31 o 5.63153  0.110144  31.8448      1.24056  32.8179      1.7406   30.8402      1.76857  5.70597  0.152525  5.52918  0.15993   
1 1 1 21 16 32 f 3.80774  0.124866  14.5816      0.950918 13.504       1.31675  15.7561      1.37472  3.65297  0.180231  3.94738  0.174131  
1 1 1 21 16 33 o 1.11685  0.347892  1.3139       0.859668 0.679329     1.21677  1.94635      1.21474  1.01308  0.402541  1.34025  0.412754  
1 1 1 21 16 34 o 3.79551  0.138301  14.5484      1.04985  14.3563      1.49195  14.7368      1.47758  3.75073  0.198887  3.80184  0.194325  
1 1 1 21 16 35 o 3.6697   0.145175  13.6365      1.06549  13.9713      1.47781  13.2741      1.53765  3.69371  0.200043  3.59434  0.213898  
1 1 1 21 16 36 o 1.29041  0.367791  1.87948      0.995557 1.88848      1.41627  1.87069      1.39973  1.3037   0.448478  1.29818  0.445922  
1 1 1 21 16 37 o 2.10386  0.229324  4.60507      0.96493  5.71163      1.37911  3.54384      1.35057  2.31211  0.298238  1.75198  0.394882  
1 1 1 21 16 38 o 0.600918 0.286704  -1.05567     0.951393 -0.324699    1.32728  -1.82813     1.36443  0.83222  0.375682  0.678494 0.328167  
1 1 1 21 16 39 o 3.61761  0.152041  13.449       1.10005  12.3824      1.50399  14.6761      1.61315  3.4217   0.219772  3.72831  0.216338  
1 1 1 21 16 40 o 0.880568 0.36084   0.609793     1.01442  0.371168     1.43149  0.850503     1.43773  0.926668 0.405733  1.0065   0.422448  
1 1 1 21 16 41 o 0.69215  0.318433  -0.328625    1.01909  1.14794      1.42363  -1.88046     1.45946  1.02023  0.423802  0.667453 0.326555  
1 1 1 21 16 42 o 1.28756  0.389896  2.3479       1.09007  2.09221      1.49022  2.64217      1.59867  1.15632  0.449207  1.26004  0.471247  
1 1 1 21 16 43 o 0.891635 0.371027  1.0016       1.09408  2.42916      1.50363  -0.604583    1.59493  1.165    0.451504  0.754179 0.362535  
1 1 1 21 16 44 f 0.831088 0.360575  1.02758      1.11019  0.481329     1.60297  1.53115      1.53906  0.787356 0.374407  0.901948 0.405993  
1 1 1 21 16 45 o 0.619261 0.302787  -0.41058     1.24959  0.0799958    1.91702  -0.773021    1.64776  0.708362 0.351846  0.642436 0.320074  
1 1 1 21 17 0  o 25.6912  0.24236   660.519      12.4506  660.519      12.4506  660.519      12.4506  25.6958  0.171327  ?        ?         
1 1 1 21 17 1  o 8.51886  0.0646905 72.5757      1.10218  72.0245      1.5502   73.1393      1.56738  8.48616  0.0913367 8.55157  0.0916426 
1 1 1 21 17 2  o 14.6837  0.100498  215.646      2.95137  214.711      4.15459  216.598      4.19343  14.6507  0.141788  14.7149  0.142489  
1 1 1 21 17 3  o 14.5755  0.104594  212.481      3.04903  213.245      4.32493  211.727      4.29913  14.6005  0.14811   14.5484  0.147753  
1 1 1 21 17 4  o 16.0298  0.114193  257.003      3.66099  251.073      5.06848  263.471      5.29369  15.8423  0.159967  16.2286  0.163098  
1 1 1 21 17 5  o 18.2398  0.128999  332.77       4.70581  328.349      6.57482  337.414      6.73824  18.116   0.181465  18.3642  0.183461  
1 1 1 21 17 6  o 7.4858   0.0658214 56.0407      0.985451 55.2445      1.39205  56.8406      1.39523  7.43218  0.0936501 7.53878  0.092537  
1 1 1 21 17 7  o 13.7793  0.103858  189.901      2.86218  189.786      4.00167  190.021      4.09542  13.7741  0.145261  13.7825  0.148573  
1 1 1 21 17 8  o 1.5816   0.107423  2.50188      0.3398   2.08192      0.50688  2.84466      0.457939 1.44254  0.175689  1.68638  0.135776  
1 1 1 21 17 9  o 9.03319  0.0757662 81.6055      1.36882  81.3362      2.00324  81.8414      1.87475  9.0178   0.111071  9.04587  0.103625  
1 1 1 21 17 10 o 9.85836  0.078331  97.197       1.54443  97.3123      2.2098   97.0868      2.15938  9.86367  0.112017  9.85228  0.109588  
1 1 1 21 17 11 o 1.76062  0.132203  3.10075      0.465518 3.55602      0.649604 2.62013      0.667441 1.88523  0.172288  1.61805  0.206248  
1 1 1 21 17 12 o 10.6683  0.0803942 113.827      1.71534  115.091      2.44825  112.609      2.40406  10.7267  0.11412   10.6103  0.113288  
1 1 1 21 17 13 o 20.9815  0.1422    440.409      5.96714  444.393      8.51125  436.557      8.36819  21.0716  0.20196   20.8851  0.200339  
1 1 1 21 17 14 f 12.2635  0.0940897 150.422      2.30774  150.166      3.2896   150.671      3.23827  12.2518  0.13425   12.2724  0.131932  
1 1 1 21 17 15 o 5.11112  0.0832038 26.1279      0.85053  25.5115      1.16555  26.8301      1.24393  5.05007  0.1154    5.17888  0.120097  
1 1 1 21 17 16 o 3.60631  0.105178  13.0094      0.758608 12.6206      1.0663   13.4078      1.07949  3.55146  0.150121  3.66059  0.147447  
1 1 1 21 17 17 o 3.58725  0.112739  12.8733      0.808848 12.0386      1.14315  13.7101      1.14462  3.46824  0.164803  3.70138  0.15462   
1 1 1 21 17 18 o 8.33635  0.0882019 69.514       1.47056  70.7187      2.07211  68.2915      2.08735  8.40715  0.123235  8.2615   0.12633   
1 1 1 21 17 19 o 5.61225  0.091697  31.5092      1.02925  31.871       1.47121  31.1623      1.44044  5.64327  0.130351  5.58021  0.129067  
1 1 1 21 17 20 o 4.04514  0.107     16.3731      0.865657 16.4265      1.26236  16.3257      1.18935  4.05037  0.155832  4.03819  0.147263  
1 1 1 21 17 21 o 11.4542  0.103722  131.286      2.37611  132.081      3.40796  130.535      3.31464  11.4847  0.148369  11.4176  0.145155  
1 1 1 21 17 22 o 5.09537  0.0984653 25.9817      1.00343  26.7956      1.38355  25.0785      1.45747  5.17294  0.13373   5.00382  0.145636  
1 1 1 21 17 23 o 5.57621  0.0912396 31.1192      1.01754  31.6904      1.43958  30.5488      1.43846  5.62498  0.127963  5.52259  0.130235  
1 1 1 21 17 24 o 3.47224  0.116598  12.075       0.809716 12.1258      1.1565   12.0261      1.13405  3.47676  0.166319  3.4626   0.163757  
1 1 1 21 17 25 f 3.45026  0.118855  11.9273      0.820159 12.0999      1.12904  11.7345      1.1934   3.47221  0.162582  3.41844  0.174553  
1 1 1 21 17 26 o 8.29325  0.0886153 68.8635      1.46982  65.8357      1.9758   72.6155      2.1994   8.10429  0.121899  8.51011  0.129223  
1 1 1 21 17 27 o 2.60564  0.152854  6.81938      0.796566 7.13081      1.10833  6.48665      1.14562  2.65944  0.208377  2.53466  0.225991  
1 1 1 21 17 28 o 3.92254  0.111753  15.4276      0.876716 15.9398      1.22792  14.895       1.25216  3.9824   0.154169  3.84857  0.162679  
1 1 1 21 17 29 o 5.12879  0.107709  26.3837      1.10483  26.5533      1.57164  26.2181      1.55345  5.13749  0.152958  5.10512  0.152146  
1 1 1 21 17 30 o 2.47558  0.163909  6.1783       0.811541 6.46322      1.11564  5.85812      1.18268  2.52373  0.22103   2.39843  0.246552  
1 1 1 21 17 31 o 0.950842 0.353801  0.754591     0.898839 0.394089     1.23681  1.15811      1.30852  0.963748 0.397267  1.14978  0.42707   
1 1 1 21 17 32 f 1.0224   0.344411  1.0381       0.834584 1.16377      1.15545  0.901016     1.20679  1.11888  0.403052  1.06366  0.406367  
1 1 1 21 17 33 o 0.723499 0.314869  -0.0826468   0.851512 -0.401062    1.21261  0.227108     1.196    0.809571 0.362531  0.91113  0.383992  
1 1 1 21 17 34 o 4.14019  0.129082  17.2969      1.06885  17.3277      1.51094  17.266       1.51223  4.12497  0.183146  4.11742  0.183638  
1 1 1 21 17 35 o 1.78489  0.278404  3.33783      0.993844 3.89527      1.36444  2.70784      1.45053  1.86518  0.378949  1.52994  0.446525  
1 1 1 21 17 36 o 2.19388  0.227941  4.99866      1.00015  5.36495      1.45529  4.6708       1.37683  2.2302   0.32627   2.07862  0.331188  
1 1 1 21 17 37 o 1.53286  0.321911  2.62293      0.955504 3.40065      1.37085  1.88807      1.33254  1.70472  0.407096  1.28708  0.435193  
1 1 1 21 17 38 o 2.37903  0.209137  5.90318      0.995083 7.33582      1.39487  4.41849      1.41998  2.61912  0.266287  1.94821  0.377921  
1 1 1 21 17 39 o 0.881014 0.354236  0.624354     0.955575 0.424367     1.34291  0.829471     1.36003  0.930295 0.399981  1.00685  0.415986  
1 1 1 21 17 40 o 0.829171 0.354913  0.347099     1.04912  0.305932     1.45091  0.392206     1.51876  0.91489  0.404101  0.940933 0.414801  
1 1 1 21 17 41 o 1.13073  0.379295  1.67479      1.01221  2.7633       1.3799   0.406844     1.48931  1.38539  0.442163  0.907236 0.404133  
1 1 1 21 17 42 o 0.815837 0.358405  0.461988     1.12472  0.832994     1.57851  0.0794024    1.60295  0.931299 0.415421  0.843508 0.392389  
1 1 1 21 17 43 o 0.728004 0.332521  0.0918871    1.08918  0.458481     1.54868  -0.266911    1.53212  0.84655  0.390673  0.76842  0.365705  
1 1 1 21 17 44 o 0.740109 0.336433  0.514507     1.08863  2.18339      1.59453  -0.94254     1.4899   0.978776 0.428384  0.655238 0.322737  
1 1 1 21 18 0  o 40.6843  0.382033  1657.41      31.0793  1657.41      31.0793  1657.41      31.0793  40.6976  0.270023  ?        ?         
1 1 1 21 18 1  o 11.4808  0.0859623 131.822      1.97383  132.369      2.76805  131.257      2.81537  11.5039  0.120309  11.4555  0.122884  
1 1 1 21 18 2  o 24.0597  0.160805  579.088      7.73783  570.412      10.7793  588.311      11.1143  23.8742  0.225751  24.2456  0.229202  
1 1 1 21 18 3  f 10.6789  0.0803894 114.05       1.71694  113.666      2.42302  114.437      2.43325  10.6604  0.113646  10.6965  0.113741  
1 1 1 21 18 4  o 21.3631  0.149639  456.533      6.3935   450.212      8.92777  463.187      9.16025  21.2112  0.21045   21.5145  0.212886  
1 1 1 21 18 5  o 25.5328  0.184788  652.255      9.43634  647.385      13.096   657.514      13.6088  25.431   0.25748   25.6284  0.265502  
1 1 1 21 18 6  o 21.8378  0.162708  477.078      7.10637  470.578      9.79152  484.313      10.3299  21.6844  0.225773  21.9979  0.234793  
1 1 1 21 18 7  o 19.3275  0.139914  373.661      5.40839  366.506      7.50753  381.381      7.79797  19.1387  0.196135  19.523   0.199712  
1 1 1 21 18 8  o 28.707   0.202271  824.6        11.6132  809.209      16.7339  838.9        16.1299  28.4276  0.294325  28.9465  0.278616  
1 1 1 21 18 9  o 3.13023  0.0715526 9.79916      0.447953 9.78998      0.642061 9.80786      0.625273 3.12862  0.102611  3.13149  0.0998363 
1 1 1 21 18 10 o 8.28026  0.0696268 68.5686      1.15306  70.0371      1.70989  67.3439      1.56153  8.36803  0.102168  8.20567  0.0951495 
1 1 1 21 18 11 o 18.1529  0.123677  329.627      4.49018  331.762      6.38688  327.54       6.3139   18.2088  0.175379  18.0926  0.174488  
1 1 1 21 18 12 o 1.26995  0.193956  1.61402      0.492627 2.35318      0.703699 0.903632     0.689866 1.53317  0.229492  0.965921 0.313077  
1 1 1 21 18 13 o 27.8838  0.186556  778.091      10.4038  781.528      14.7726  774.708      14.6545  27.9347  0.264414  27.8127  0.26345   
1 1 1 21 18 14 o 6.20152  0.0788572 38.4643      0.978068 39.3574      1.39584  37.6028      1.3709   6.27265  0.111264  6.13122  0.111796  
1 1 1 21 18 15 o 6.60886  0.0786747 43.6839      1.0399   42.3195      1.48412  44.9998      1.45752  6.50425  0.114088  6.70717  0.108654  
1 1 1 21 18 16 o 17.9107  0.126002  320.94       4.51358  318.307      6.27759  323.757      6.49426  17.8332  0.176008  17.9848  0.180548  
1 1 1 21 18 17 o 11.5848  0.101092  134.252      2.34225  133.345      3.34894  135.12       3.27712  11.5436  0.145056  11.6204  0.141008  
1 1 1 21 18 18 o 11.8709  0.101776  140.976      2.41635  142.342      3.36582  139.523      3.47109  11.9259  0.141113  11.8069  0.146995  
1 1 1 21 18 19 o 5.86674  0.0901525 34.4322      1.0578   33.453       1.44826  35.5519      1.5487   5.78166  0.125246  5.9601   0.129922  
1 1 1 21 18 20 o 5.61493  0.0920749 31.5427      1.03399  31.0141      1.5256   31.9918      1.40624  5.56606  0.137045  5.65365  0.124366  
1 1 1 21 18 21 o 7.1498   0.0909927 51.148       1.30116  52.5861      1.86384  49.7809      1.81728  7.24757  0.128584  7.05159  0.128856  
1 1 1 21 18 22 o 10.2746  0.0953339 105.646      1.95903  107.066      2.79559  104.275      2.74605  10.3395  0.13519   10.2039  0.134559  
1 1 1 21 18 23 o 6.79866  0.0855685 46.2572      1.1635   46.071       1.60625  46.4628      1.68765  6.78262  0.118409  6.81093  0.123893  
1 1 1 21 18 24 o 11.393   0.0986334 129.953      2.24747  129.285      3.18982  130.611      3.16709  11.3568  0.140436  11.4153  0.138722  
1 1 1 21 18 25 o 1.19217  0.308343  1.49481      0.740518 0.788685     1.01437  2.30052      1.08355  1.00521  0.375489  1.47372  0.368277  
1 1 1 21 18 26 o 1.78724  0.206945  3.21731      0.739722 2.72987      1.02444  3.74831      1.06924  1.6091   0.329685  1.92347  0.277947  
1 1 1 21 18 27 f 6.15856  0.0910745 37.9904      1.12178  37.4022      1.53342  38.6676      1.64535  6.1062   0.125563  6.20754  0.132528  
1 1 1 21 18 28 o 1.31949  0.29313   1.84304      0.75324  2.30633      1.05689  1.36481      1.07379  1.46853  0.36174   1.17432  0.390663  
1 1 1 21 18 29 o 2.67619  0.160157  7.21273      0.857223 7.5979       1.22415  6.84212      1.20078  2.73777  0.223566  2.59682  0.231203  
1 1 1 21 18 30 o 1.85722  0.211895  3.49799      0.787071 4.88863      1.09596  2.0169       1.13104  2.18937  0.250291  1.36864  0.39264   
1 1 1 21 18 31 o 0.773005 0.32859   0.0627347    0.888342 -0.753111    1.19354  1.07601      1.33014  0.757246 0.346797  1.13473  0.428635  
1 1 1 21 18 32 o 1.32021  0.320315  1.88328      0.83835  1.97052      1.16909  1.79092      1.20284  1.34817  0.402887  1.29689  0.412711  
1 1 1 21 18 33 o 1.15326  0.357786  1.42515      0.910486 0.595585     1.27858  2.27858      1.29685  1.00509  0.40742   1.43024  0.423706  
1 1 1 21 18 34 o 3.0859   0.162715  9.66671      1.00425  9.00411      1.41011  10.3487      1.43055  2.95282  0.238773  3.17102  0.225567  
1 1 1 21 18 35 o 3.40344  0.157342  11.7661      1.07101  13.0058      1.47946  10.4011      1.55243  3.55727  0.207949  3.16448  0.245291  
1 1 1 21 18 36 o 0.87407  0.350593  0.513117     0.932807 0.996938     1.32162  0.0328359    1.31677  1.0768   0.422062  0.893985 0.390297  
1 1 1 21 18 37 o 0.798408 0.339503  0.182223     0.948899 -0.335464    1.31652  0.741918     1.3689   0.83085  0.374659  1.02461  0.419403  
1 1 1 21 18 38 o 0.667973 0.306738  -0.490515    0.940749 0.0886208    1.31286  -1.10171     1.3487   0.881364 0.387207  0.736935 0.347455  
1 1 1 21 18 39 o 1.11448  0.366621  1.46446      0.945695 2.69962      1.34551  0.258589     1.32946  1.45152  0.431902  0.897848 0.392077  
1 1 1 21 18 40 o 1.06113  0.376817  1.36076      1.00673  2.3013       1.41964  0.409324     1.42784  1.29644  0.448717  0.918993 0.403773  
1 1 1 21 18 41 f 1.1638   0.374541  1.78483      0.988601 2.05721      1.3512   1.47106      1.45023  1.20314  0.435615  1.07382  0.434473  
1 1 1 21 18 42 o 0.533129 0.265403  -2.08277     1.12182  -1.40638     1.56529  -2.79709     1.60857  0.696506 0.340166  0.621428 0.310535  
1 1 1 21 18 43 o 0.878775 0.368549  1.06876      1.09284  2.13976      1.5421   -0.0117755   1.54895  1.05952  0.440664  0.777213 0.368854  
1 1 1 21 18 44 o 0.811009 0.356106  0.914185     1.10919  0.708018     1.56452  1.12254      1.57279  0.806002 0.37841   0.851434 0.393222  
1 1 1 21 19 0  o 12.0895  0.119617  146.214      2.89159  146.214      2.89159  146.214      2.89159  12.0907  0.0845646 ?        ?         
1 1 1 21 19 1  o 10.3816  0.0748608 107.787      1.55435  106.552      2.17723  109.07       2.21975  10.3215  0.10547   10.4428  0.106282  
1 1 1 21 19 2  o 37.3421  0.247676  1395.7       18.4975  1390.88      26.0542  1400.59      26.2659  37.2602  0.349624  37.3898  0.351244  
1 1 1 21 19 3  o 2.79951  0.0645573 7.83773      0.361457 7.84485      0.520978 7.83113      0.50191  2.80068  0.0930091 2.79824  0.0896831 
1 1 1 21 19 4  o 14.8799  0.108087  221.451      3.21664  218.375      4.43578  224.863      4.6714   14.775   0.150111  14.9927  0.155789  
1 1 1 21 19 5  o 22.4643  0.165238  504.849      7.4239   501.274      10.4329  508.515      10.5663  22.3799  0.233087  22.5408  0.234381  
1 1 1 21 19 6  f 25.9273  0.197578  672.616      10.2453  664.83       14.1429  681.213      14.862   25.7694  0.274412  26.0838  0.28489   
1 1 1 21 19 7  o 9.79126  0.0780578 95.8776      1.52857  95.0378      2.11604  96.7941      2.2105   9.74784  0.108539  9.83744  0.112352  
1 1 1 21 19 8  o 9.64826  0.07928   93.0984      1.52983  92.0354      2.17496  94.1392      2.15223  9.59249  0.113368  9.70155  0.110922  
1 1 1 21 19 9  o 38.3752  0.25487   1474.34      19.5613  1474.04      27.6709  1474.63      27.657   38.3487  0.360779  38.3565  0.360526  
1 1 1 21 19 10 o 6.24324  0.061575  38.9809      0.768856 38.518       1.08136  39.4542      1.09339  6.20583  0.0871245 6.2808   0.0870425 
1 1 1 21 19 11 o 16.0192  0.110844  256.678      3.55124  259.926      5.08315  253.582      4.96342  16.1181  0.157685  15.9203  0.155884  
1 1 1 21 19 12 o 22.221   0.155009  494.025      6.88891  495.599      9.66639  492.4        9.82022  22.2508  0.217214  22.1784  0.221391  
1 1 1 21 19 13 o 6.0623   0.072335  36.7557      0.877032 36.0146      1.22216  37.5426      1.2593   6.00052  0.101838  6.12647  0.102775  
1 1 1 21 19 14 o 9.60928  0.0829605 92.3538      1.59438  91.4577      2.21295  93.321       2.29911  9.56177  0.115719  9.65859  0.119019  
1 1 1 21 19 15 o 2.38278  0.140755  5.68072      0.670779 6.79813      0.95655  4.59959      0.940894 2.60612  0.18352   2.14325  0.219502  
1 1 1 21 19 16 f 10.3694  0.0902395 107.551      1.87145  107.441      2.62831  107.663      2.66535  10.3628  0.126814  10.3735  0.128469  
1 1 1 21 19 17 o 8.39993  0.0886025 70.5787      1.48851  68.8324      2.07625  72.4254      2.13513  8.29419  0.125163  8.50791  0.125479  
1 1 1 21 19 18 o 8.13617  0.0865273 66.2193      1.408    67.2881      2.05452  65.2728      1.93343  8.20004  0.125275  8.07656  0.119694  
1 1 1 21 19 19 o 2.90458  0.140076  8.4452       0.813725 7.81513      1.12111  9.14668      1.18293  2.79263  0.200727  3.02134  0.195763  
1 1 1 21 19 20 o 6.08973  0.0879404 37.1022      1.07107  36.054       1.56371  38.0286      1.47006  6.00138  0.130279  6.16405  0.119245  
1 1 1 21 19 21 o 4.72955  0.106334  22.3869      1.00582  22.8563      1.44449  21.9452      1.40138  4.77683  0.151197  4.68073  0.149697  
1 1 1 21 19 22 o 14.9599  0.114961  224.068      3.43963  224.56       5.02504  223.634      4.71818  14.9661  0.16788   14.9375  0.157931  
1 1 1 21 19 23 o 6.21777  0.0875883 38.6932      1.08921  37.9417      1.52458  39.4767      1.55666  6.15451  0.123859  6.27776  0.123982  
1 1 1 21 19 24 o 5.19873  0.0935812 27.0575      0.973008 28.548       1.40573  25.6867      1.34815  5.33702  0.131696  5.06238  0.133154  
1 1 1 21 19 25 o 8.66028  0.0864913 75.0847      1.49808  75.2891      2.09611  74.8713      2.14183  8.66732  0.12092   8.64275  0.123909  
1 1 1 21 19 26 o 1.64945  0.214214  2.74305      0.706669 3.05746      0.980586 2.40332      1.0193   1.73614  0.282404  1.50514  0.345691  
1 1 1 21 19 27 o 2.85838  0.136933  8.20186      0.782815 7.46979      1.07718  9.02121      1.13958  2.72222  0.19785   2.99246  0.190409  
1 1 1 21 19 28 o 5.7526   0.0940438 33.1626      1.08199  32.9738      1.4997   33.3676      1.56257  5.73054  0.130852  5.76379  0.135551  
1 1 1 21 19 29 o 3.70698  0.121633  13.8001      0.901784 13.5293      1.26561  14.0792      1.28524  3.66268  0.172772  3.73652  0.171984  
1 1 1 21 19 30 o 4.5835   0.108374  21.0899      0.993465 20.407       1.35374  21.8868      1.4625   4.50044  0.150401  4.65921  0.156947  
1 1 1 21 19 31 o 1.49349  0.301856  2.37909      0.870095 0.804319     1.18117  4.24747      1.28658  1.03636  0.400477  2.02436  0.317774  
1 1 1 21 19 32 o 1.95843  0.21833   3.90884      0.855166 4.10212      1.20809  3.71472      1.21069  1.98854  0.303763  1.85918  0.338086  
1 1 1 21 19 33 o 3.63625  0.134708  13.3435      0.97966  13.1557      1.35367  13.5501      1.41958  3.59508  0.188267  3.64636  0.194657  
1 1 1 21 19 34 o 3.01593  0.163005  9.23692      0.983223 8.90955      1.43638  9.52556      1.34873  2.93392  0.244788  3.04296  0.221615  
1 1 1 21 19 35 o 0.702239 0.319709  -0.489392    0.991404 -2.0622      1.3473   1.36791      1.46409  0.662854 0.321935  1.19121  0.449779  
1 1 1 21 19 36 o 1.09932  0.365608  1.30716      0.940475 0.828874     1.29096  1.84808      1.37288  1.03424  0.413438  1.28375  0.441561  
1 1 1 21 19 37 o 0.925981 0.356394  0.745522     0.933492 0.821254     1.27433  0.657824     1.37131  1.01883  0.409312  1.00744  0.417058  
1 1 1 21 19 38 o 1.20035  0.360183  1.69608      0.933103 0.203797     1.27892  3.3946       1.36444  0.885409 0.385617  1.66144  0.412097  
1 1 1 21 19 39 o 0.999737 0.36299   1.09866      0.938794 1.12914      1.31283  1.06676      1.34299  1.05192  0.418081  1.0429   0.419691  
1 1 1 21 19 40 o 1.23085  0.382875  1.95636      1.04173  2.16603      1.49187  1.75684      1.45526  1.24704  0.457116  1.15677  0.445035  
1 1 1 21 19 41 f 1.24728  0.372209  2.06703      0.998303 2.7001       1.3403   1.27816      1.49616  1.36051  0.435928  1.03321  0.432157  
1 1 1 21 19 42 o 0.737989 0.335667  0.103539     1.0872   0.782753     1.47692  -0.699872    1.60628  0.894673 0.400382  0.754353 0.362912  
1 1 1 21 19 43 o 0.757995 0.342516  0.487274     1.106    -0.419012    1.59336  1.32995      1.53642  0.72939  0.353103  0.904382 0.406446  
1 1 1 21 19 44 o 0.635887 0.305632  -0.378992    1.13262  -1.17241     1.61963  0.380363     1.58448  0.658409 0.326444  0.767663 0.367149  
1 1 1 21 20 0  o 3.57444  0.0863084 12.7997      0.616196 12.7997      0.616196 12.7997      0.616196 3.57605  0.0609613 ?        ?         
1 1 1 21 20 1  o 31.2257  0.210065  975.682      13.1188  981.393      18.4531  969.845      18.6542  31.3066  0.294717  31.1211  0.299703  
1 1 1 21 20 2  o 33.8256  0.224607  1145.03      15.1949  1137.91      21.3621  1152.32      21.6179  33.7071  0.316878  33.9197  0.318663  
1 1 1 21 20 3  o 12.4295  0.0903545 154.512      2.24612  154.187      3.20984  154.823      3.14418  12.4156  0.129266  12.4413  0.126361  
1 1 1 21 20 4  o 12.0596  0.0928186 145.451      2.2387   144.975      3.11537  145.96       3.21918  12.039   0.129387  12.0798  0.133247  
1 1 1 21 20 5  o 9.75976  0.0805767 95.2621      1.57282  93.8305      2.19613  96.7697      2.25359  9.68565  0.11337   9.83617  0.114556  
1 1 1 21 20 6  o 14.4725  0.115973  209.497      3.35684  210.106      4.75945  208.893      4.73522  14.4919  0.16421   14.45    0.163848  
1 1 1 21 20 7  o 17.4458  0.130729  304.441      4.56133  304.398      6.45594  304.484      6.44545  17.442   0.185069  17.4445  0.184742  
1 1 1 21 20 8  o 9.88631  0.0831242 97.751       1.64358  99.1289      2.37703  96.4888      2.27508  9.95507  0.119388  9.82169  0.115819  
1 1 1 21 20 9  o 14.1493  0.0987294 200.24       2.7939   196.318      3.88533  204.44       4.02049  14.0087  0.138675  14.2955  0.140621  
1 1 1 21 20 10 o 12.5648  0.0898899 157.9        2.25889  161.633      3.2575   154.443      3.13514  12.7113  0.128134  12.4255  0.126158  
1 1 1 21 20 11 o 29.7909  0.208271  888.315      12.4092  886.654      17.5094  889.992      17.5894  29.7493  0.294281  29.8051  0.295073  
1 1 1 21 20 12 o 13.1609  0.0982795 173.247      2.5869   177.275      3.77574  169.684      3.55142  13.3115  0.141822  13.0236  0.136346  
1 1 1 21 20 13 o 10.7302  0.0861292 115.158      1.84837  114.865      2.61009  115.452      2.61791  10.7156  0.121789  10.7429  0.121843  
1 1 1 21 20 14 o 18.6513  0.134141  348.034      5.0038   347.553      7.07629  348.515      7.0766   18.6339  0.189877  18.6597  0.189622  
1 1 1 21 20 15 o 6.06327  0.075064  36.7692      0.910267 37.4239      1.29244  36.1249      1.28225  6.11651  0.105652  6.0094   0.106687  
1 1 1 21 20 16 o 10.1876  0.0919231 103.817      1.87296  102.811      2.69901  104.751      2.60122  10.1366  0.133132  10.2321  0.127111  
1 1 1 21 20 17 o 5.11459  0.0937131 26.1683      0.958609 27.8512      1.3446   24.4288      1.36703  5.27569  0.127434  4.94063  0.138346  
1 1 1 21 20 18 o 1.55825  0.246598  2.43523      0.76852  2.30963      1.08291  2.56267      1.09084  1.48551  0.366315  1.56513  0.356355  
1 1 1 21 20 19 o 3.96483  0.10223   15.7291      0.810651 13.4547      1.11564  18.2732      1.17992  3.66568  0.152174  4.27243  0.138086  
1 1 1 21 20 20 o 6.87002  0.0889364 47.2217      1.22199  47.6895      1.7374   46.7636      1.71906  6.90213  0.125859  6.83481  0.125758  
1 1 1 21 20 21 o 6.14693  0.0896718 37.8087      1.10241  38.5103      1.5263   37.0434      1.59399  6.20193  0.123051  6.08217  0.131038  
1 1 1 21 20 22 f 7.07877  0.0824066 50.1438      1.16667  51.8036      1.67361  48.5749      1.62722  7.19253  0.116344  6.96475  0.116818  
1 1 1 21 20 23 o 7.04954  0.0877298 49.7402      1.23691  49.1444      1.75834  50.3238      1.74031  7.0039   0.125526  7.08773  0.122769  
1 1 1 21 20 24 o 4.91356  0.0919519 24.1714      0.903623 23.3511      1.25886  25.0433      1.29786  4.82661  0.130408  4.99848  0.129826  
1 1 1 21 20 25 o 4.83134  0.0948719 23.3755      0.916717 23.3734      1.31464  23.3774      1.27896  4.82738  0.136165  4.82819  0.132448  
1 1 1 21 20 26 o 1.00818  0.319103  1.02373      0.719801 1.10163      1.01377  0.944523     1.02219  1.08899  0.378968  1.04657  0.378891  
1 1 1 21 20 27 o 0.9806   0.323417  0.943068     0.735943 0.837782     1.03086  1.05251      1.05099  1.01803  0.378876  1.08136  0.384911  
1 1 1 21 20 28 o 1.58444  0.244109  2.54882      0.773552 2.11994      1.06367  3.03029      1.12701  1.40604  0.372308  1.68625  0.346072  
1 1 1 21 20 29 o 1.83348  0.218568  3.40967      0.801482 3.61658      1.12625  3.19737      1.14083  1.87675  0.300053  1.73087  0.341718  
1 1 1 21 20 30 o 2.35314  0.192424  5.60897      0.905598 5.0626       1.25529  6.20195      1.30774  2.21895  0.282857  2.45993  0.265808  
1 1 1 21 20 31 o 4.65862  0.107242  21.7959      0.9992   22.6671      1.40837  20.9131      1.41784  4.7414   0.148519  4.5524   0.155725  
1 1 1 21 20 32 o 1.54582  0.286029  2.54438      0.851024 2.32593      1.19877  2.76634      1.20834  1.45152  0.400234  1.58357  0.384771  
1 1 1 21 20 33 o 2.3655   0.187577  5.69841      0.887428 5.78119      1.22317  5.60642      1.28948  2.36334  0.25878   2.32138  0.27774   
1 1 1 21 20 34 f 3.12749  0.165153  9.9412       1.03303  10.8047      1.45437  9.062        1.46757  3.23828  0.22456   2.95601  0.248235  
1 1 1 21 20 35 o 1.44531  0.335308  2.33167      0.951304 2.41551      1.30917  2.23789      1.38469  1.44408  0.425092  1.39311  0.442759  
1 1 1 21 20 36 o 1.03107  0.362447  1.09349      0.929281 0.788205     1.29008  1.42273      1.33973  1.02472  0.411768  1.1752   0.432948  
1 1 1 21 20 37 f 0.817351 0.342532  0.287302     0.942818 -0.227005    1.29954  0.858832     1.36993  0.838815 0.375473  1.04382  0.422298  
1 1 1 21 20 38 o 1.97086  0.251229  4.17244      0.990271 4.10544      1.37036  4.24567      1.43262  1.85064  0.383179  1.87283  0.394814  
1 1 1 21 20 39 o 1.30796  0.355445  2.0791       0.953961 1.33654      1.3646   2.78886      1.33412  1.09505  0.428941  1.46339  0.428597  
1 1 1 21 20 40 o 1.11236  0.384163  1.59666      1.04007  1.28573      1.50077  1.884        1.4427   1.05485  0.436469  1.17169  0.445282  
1 1 1 21 20 41 o 0.925211 0.375261  0.970921     1.08558  1.62964      1.49879  0.243993     1.57448  1.07832  0.439695  0.876772 0.40019   
1 1 1 21 20 42 o 1.08788  0.395487  1.8148       1.11472  -0.408955    1.60118  3.90624      1.55282  0.775843 0.370586  1.50563  0.467276  
1 1 1 21 20 43 o 1.01732  0.388053  1.84231      1.09904  0.333655     1.51745  3.5069       1.59394  0.776583 0.366912  1.24734  0.469746  
1 1 1 21 20 44 o 0.874193 0.37092   1.42336      1.12837  1.61495      1.62843  1.2464       1.56497  0.867464 0.400432  0.828627 0.386333  
1 1 1 21 21 0  o 21.1517  0.284105  447.905      12.0137  447.905      12.0137  447.905      12.0137  21.1576  0.200795  ?        ?         
1 1 1 21 21 1  o 63.4516  0.595799  4037.85      75.5937  4037.85      75.5937  4037.85      75.5937  63.4968  0.420951  ?        ?         
1 1 1 21 21 2  o 20.8588  0.198389  435.336      8.27462  435.336      8.27462  435.336      8.27462  20.8617  0.140248  ?        ?         
1 1 1 21 21 3  o 8.16988  0.0974257 66.7801      1.5914   66.7801      1.5914   66.7801      1.5914   8.17089  0.0688708 ?        ?         
1 1 1 21 21 4  o 11.3449  0.127104  128.771      2.88315  128.771      2.88315  128.771      2.88315  11.3463  0.0898521 ?        ?         
1 1 1 21 21 5  o 5.28373  0.0943067 27.9464      0.995866 27.9464      0.995866 27.9464      0.995866 5.28508  0.0666438 ?        ?         
1 1 1 21 21 6  o 16.9467  0.189433  287.386      6.41873  287.386      6.41873  287.386      6.41873  16.9496  0.133908  ?        ?         
1 1 1 21 21 7  o 3.34994  0.122469  11.2685      0.81804  11.2685      0.81804  11.2685      0.81804  3.35342  0.0863762 ?        ?         
1 1 1 21 21 8  o 6.17509  0.109023  38.1718      1.34551  38.1718      1.34551  38.1718      1.34551  6.17671  0.0770435 ?        ?         
1 1 1 21 21 9  o 4.89288  0.102815  23.9746      1.00512  23.9746      1.00512  23.9746      1.00512  4.89464  0.0726389 ?        ?         
1 1 1 21 21 10 o 23.5296  0.228962  554.103      10.7725  554.103      10.7725  554.103      10.7725  23.5345  0.16185   ?        ?         
1 1 1 21 21 11 o 14.8993  0.176547  222.157      5.25918  222.157      5.25918  222.157      5.25918  14.9021  0.124794  ?        ?         
1 1 1 21 21 12 o 1.36442  0.332481  2.16379      0.785342 2.16379      0.785342 2.16379      0.785342 1.42747  0.207396  ?        ?         
1 1 1 21 21 13 o 9.65561  0.11711   93.2882      2.26079  93.2882      2.26079  93.2882      2.26079  9.65709  0.0827831 ?        ?         
1 1 1 21 21 14 o 10.4285  0.124088  108.823      2.58728  108.823      2.58728  108.823      2.58728  10.4302  0.0877156 ?        ?         
1 1 1 21 21 15 o 8.04911  0.118232  64.8442      1.9024   64.8442      1.9024   64.8442      1.9024   8.05085  0.0835643 ?        ?         
1 1 1 21 21 16 o 2.63015  0.212951  7.05839      1.10329  7.05839      1.10329  7.05839      1.10329  2.64377  0.148618  ?        ?         
1 1 1 21 21 17 o 6.00966  0.118681  36.1697      1.42521  36.1697      1.42521  36.1697      1.42521  6.01189  0.0838521 ?        ?         
1 1 1 21 21 18 o 2.48449  0.224219  6.33003      1.09327  6.33003      1.09327  6.33003      1.09327  2.50069  0.155959  ?        ?         
1 1 1 21 21 19 o 15.0666  0.189472  227.355      5.70736  227.355      5.70736  227.355      5.70736  15.0724  0.133901  ?        ?         
1 1 1 21 21 20 o 8.35611  0.137003  69.9276      2.28823  69.9276      2.28823  69.9276      2.28823  8.35918  0.0968106 ?        ?         
1 1 1 21 21 21 o 1.69506  0.330116  3.19087      0.996271 3.19087      0.996271 3.19087      0.996271 1.74854  0.208126  ?        ?         
1 1 1 21 21 22 o 6.90197  0.116173  47.7122      1.60263  47.7122      1.60263  47.7122      1.60263  6.90469  0.0820883 ?        ?         
1 1 1 21 21 23 o 1.10324  0.472003  1.74991      1.05652  1.74991      1.05652  1.74991      1.05652  1.18317  0.362098  ?        ?         
1 1 1 21 21 24 o 15.6723  0.165426  246.194      5.18392  246.194      5.18392  246.194      5.18392  15.6814  0.116892  ?        ?         
1 1 1 21 21 25 o 8.81404  0.124326  77.8364      2.19064  77.8364      2.19064  77.8364      2.19064  8.81825  0.0878499 ?        ?         
1 1 1 21 21 26 o 1.51573  0.384715  2.72206      1.00691  2.72206      1.00691  2.72206      1.00691  1.59522  0.239363  ?        ?         
1 1 1 21 21 27 o 0.552399 0.366903  -0.167752    1.0298   -0.167752    1.0298   -0.167752    1.0298   0.456408 0.304577  ?        ?         
1 1 1 21 21 28 o 0.980004 0.478856  1.46083      1.09921  1.46083      1.09921  1.46083      1.09921  1.02513  0.399271  ?        ?         
1 1 1 21 21 29 o 7.3234   0.128669  53.8202      1.88328  53.8202      1.88328  53.8202      1.88328  7.32979  0.0908718 ?        ?         
1 1 1 21 21 30 o 2.41517  0.282913  6.14866      1.32401  6.14866      1.32401  6.14866      1.32401  2.44884  0.193954  ?        ?         
1 1 1 21 21 31 f 2.81162  0.220694  8.12423      1.22343  8.12423      1.22343  8.12423      1.22343  2.83136  0.153808  ?        ?         
1 1 1 21 21 32 o 2.21488  0.303953  5.27726      1.29021  5.27726      1.29021  5.27726      1.29021  2.25864  0.205896  ?        ?         
1 1 1 21 21 33 o 0.618957 0.403902  0.0426082    1.18019  0.0426082    1.18019  0.0426082    1.18019  0.526843 0.342115  ?        ?         
1 1 1 21 21 34 o 1.6903   0.491093  3.65307      1.43933  3.65307      1.43933  3.65307      1.43933  1.81785  0.306     ?        ?         
1 1 1 21 21 35 o 1.70837  0.439287  3.59346      1.29503  3.59346      1.29503  3.59346      1.29503  1.8182   0.26951   ?        ?         
1 1 1 21 21 36 o 0.686137 0.441127  0.286728     1.33741  0.286728     1.33741  0.286728     1.33741  0.602736 0.379929  ?        ?         
1 1 1 21 21 37 o 0.423287 0.308476  -2.26901     1.33815  -2.26901     1.33815  -2.26901     1.33815  0.318445 0.235885  ?        ?         
1 1 1 21 21 38 o 0.696616 0.443151  0.462344     1.31434  0.462344     1.31434  0.462344     1.31434  0.628391 0.387453  ?        ?         
1 1 1 21 21 39 o 1.00381  0.532653  1.83449      1.42411  1.83449      1.42411  1.83449      1.42411  1.07622  0.460849  ?        ?         
1 1 1 21 21 40 o 0.71548  0.455343  0.652717     1.38893  0.652717     1.38893  0.652717     1.38893  0.665418 0.40436   ?        ?         
1 1 1 21 21 41 o 0.596901 0.41472   -0.421436    1.63504  -0.421436    1.63504  -0.421436    1.63504  0.506006 0.351328  ?        ?         
1 1 1 21 21 42 o 1.66342  0.553252  4.49981      1.63351  4.49981      1.63351  4.49981      1.63351  1.92899  0.327838  ?        ?         
1 1 1 21 21 43 o 0.744401 0.478026  1.35578      1.56354  1.35578      1.56354  1.35578      1.56354  0.772204 0.447453  ?        ?         
1 1 1 21 21 44 o 0.50447  0.361721  -0.50376     1.53365  -0.50376     1.53365  -0.50376     1.53365  0.437669 0.311649  ?        ?         
1 1 1 22 0  0  o 8.86396  0.130878  78.6388      2.31905  78.6388      2.31905  78.6388      2.31905  8.8659   0.0925014 ?        ?         
1 1 1 22 0  1  o 13.8796  0.135246  192.746      3.75352  192.746      3.75352  192.746      3.75352  13.8815  0.0956104 ?        ?         
1 1 1 22 0  2  o 8.91157  0.0933724 79.4514      1.66378  79.4514      1.66378  79.4514      1.66378  8.91256  0.0660088 ?        ?         
1 1 1 22 0  3  o 6.49473  0.0718615 42.2         0.933185 42.2         0.933185 42.2         0.933185 6.49544  0.0508012 ?        ?         
1 1 1 22 0  4  o 9.66288  0.0966232 93.411       1.8669   93.411       1.8669   93.411       1.8669   9.66391  0.068308  ?        ?         
1 1 1 22 0  5  o 24.7977  0.255677  615.674      12.6774  615.674      12.6774  615.674      12.6774  24.8052  0.180714  ?        ?         
1 1 1 22 0  6  f 1.10534  0.212863  1.35002      0.419642 1.35002      0.419642 1.35002      0.419642 1.1385   0.134581  ?        ?         
1 1 1 22 0  7  o 8.22194  0.0982068 67.6382      1.61438  67.6382      1.61438  67.6382      1.61438  8.22309  0.0694218 ?        ?         
1 1 1 22 0  8  o 5.63816  0.0775424 31.8094      0.874021 31.8094      0.874021 31.8094      0.874021 5.63907  0.0548102 ?        ?         
1 1 1 22 0  9  o 24.6     0.242766  605.786      11.9415  605.786      11.9415  605.786      11.9415  24.6063  0.171598  ?        ?         
1 1 1 22 0  10 o 3.77023  0.0898347 14.2402      0.676527 14.2402      0.676527 14.2402      0.676527 3.77193  0.0634532 ?        ?         
1 1 1 22 0  11 o 1.45623  0.204727  2.24438      0.562906 2.24438      0.562906 2.24438      0.562906 1.47915  0.137265  ?        ?         
1 1 1 22 0  12 o 8.61731  0.107856  74.3017      1.8582   74.3017      1.8582   74.3017      1.8582   8.61857  0.076241  ?        ?         
1 1 1 22 0  13 o 1.21313  0.291779  1.70408      0.613389 1.70408      0.613389 1.70408      0.613389 1.26765  0.181983  ?        ?         
1 1 1 22 0  14 o 6.05396  0.10257   36.6849      1.24111  36.6849      1.24111  36.6849      1.24111  6.05539  0.0724875 ?        ?         
1 1 1 22 0  15 o 22.9944  0.229462  529.104      10.5503  529.104      10.5503  529.104      10.5503  22.9983  0.162209  ?        ?         
1 1 1 22 0  16 o 13.4254  0.143152  180.329      3.84276  180.329      3.84276  180.329      3.84276  13.427   0.101199  ?        ?         
1 1 1 22 0  17 o 29.9308  0.283417  896.691      16.9624  896.691      16.9624  896.691      16.9624  29.9377  0.20034   ?        ?         
1 1 1 22 0  18 o 10.9993  0.121347  121.046      2.66874  121.046      2.66874  121.046      2.66874  11.0007  0.0857827 ?        ?         
1 1 1 22 0  19 o 6.49539  0.111049  42.2326      1.44166  42.2326      1.44166  42.2326      1.44166  6.49702  0.0784779 ?        ?         
1 1 1 22 0  20 o 11.8451  0.144373  140.403      3.41909  140.403      3.41909  140.403      3.41909  11.8471  0.102053  ?        ?         
1 1 1 22 0  21 o 1.15042  0.507617  1.91032      1.21775  1.91032      1.21775  1.91032      1.21775  1.22462  0.398639  ?        ?         
1 1 1 22 0  22 o 1.62986  0.458088  3.21985      1.2912   3.21985      1.2912   3.21985      1.2912   1.72558  0.288938  ?        ?         
1 1 1 22 0  23 o 8.30006  0.133642  68.9694      2.21718  68.9694      2.21718  68.9694      2.21718  8.30242  0.0944447 ?        ?         
1 1 1 22 0  24 o 8.34786  0.126416  69.7629      2.10951  69.7629      2.10951  69.7629      2.10951  8.35014  0.089342  ?        ?         
1 1 1 22 0  25 o 4.78189  0.150615  22.9505      1.43721  22.9505      1.43721  22.9505      1.43721  4.78629  0.106282  ?        ?         
1 1 1 22 0  26 o 0.680549 0.437311  0.128385     1.31181  0.128385     1.31181  0.128385     1.31181  0.580915 0.370852  ?        ?         
1 1 1 22 0  27 o 3.75895  0.184632  14.2565      1.38041  14.2565      1.38041  14.2565      1.38041  3.76744  0.129893  ?        ?         
1 1 1 22 0  28 o 3.26191  0.218899  10.8139      1.4133   10.8139      1.4133   10.8139      1.4133   3.27538  0.153321  ?        ?         
1 1 1 22 0  29 o 4.51732  0.162689  20.5253      1.46551  20.5253      1.46551  20.5253      1.46551  4.52391  0.1147    ?        ?         
1 1 1 22 0  30 o 2.45115  0.25638   6.237        1.22538  6.237        1.22538  6.237        1.22538  2.47514  0.177119  ?        ?         
1 1 1 22 0  31 o 2.18637  0.295314  5.07712      1.23894  5.07712      1.23894  5.07712      1.23894  2.22195  0.200916  ?        ?         
1 1 1 22 0  32 o 2.45251  0.281308  6.30652      1.33854  6.30652      1.33854  6.30652      1.33854  2.48325  0.193268  ?        ?         
1 1 1 22 0  33 o 2.7684   0.249382  7.91901      1.35501  7.91901      1.35501  7.91901      1.35501  2.79185  0.173121  ?        ?         
1 1 1 22 0  34 o 0.908369 0.504807  1.22228      1.33524  1.22228      1.33524  1.22228      1.33524  0.894087 0.44265   ?        ?         
1 1 1 22 0  35 o 0.659724 0.436004  -0.112583    1.43057  -0.112583    1.43057  -0.112583    1.43057  0.552718 0.365794  ?        ?         
1 1 1 22 0  36 o 2.34717  0.303526  5.89816      1.37147  5.89816      1.37147  5.89816      1.37147  2.39018  0.206407  ?        ?         
1 1 1 22 0  37 o 5.26152  0.175465  28.021       1.84177  28.021       1.84177  28.021       1.84177  5.27753  0.123537  ?        ?         
1 1 1 22 0  38 o 0.440127 0.322781  -2.91508     1.53932  -2.91508     1.53932  -2.91508     1.53932  0.328913 0.244076  ?        ?         
1 1 1 22 0  39 o 3.0687   0.274237  9.90015      1.65218  9.90015      1.65218  9.90015      1.65218  3.10852  0.189529  ?        ?         
1 1 1 22 0  40 o 1.6863   0.52974   3.8394       1.56398  3.8394       1.56398  3.8394       1.56398  1.8412   0.332889  ?        ?         
1 1 1 22 0  41 o 4.04139  0.21566   16.9102      1.73179  16.9102      1.73179  16.9102      1.73179  4.07714  0.150641  ?        ?         
1 1 1 22 0  42 o 2.7886   0.274519  8.38972      1.49699  8.38972      1.49699  8.38972      1.49699  2.84413  0.187975  ?        ?         
1 1 1 22 0  43 o 1.93119  0.46211   4.85774      1.54712  4.85774      1.54712  4.85774      1.54712  2.08951  0.272108  ?        ?         
1 1 1 22 0  44 o 1.4865   0.615321  4.05627      1.80904  4.05627      1.80904  4.05627      1.80904  1.76216  0.418461  ?        ?         
1 1 1 22 0  45 o 0.492685 0.356696  -1.69177     1.65485  -1.69177     1.65485  -1.69177     1.65485  0.395549 0.288305  ?        ?         
1 1 1 22 0  46 o 0.856208 0.539514  2.24606      1.90495  2.24606      1.90495  2.24606      1.90495  0.95988  0.515572  ?        ?         
1 1 1 22 0  47 o 0.524486 0.379727  -0.715842    1.881    -0.715842    1.881    -0.715842    1.881    0.458473 0.330371  ?        ?         
1 1 1 22 1  0  o 14.0337  0.133958  197.045      3.75908  197.045      3.75908  197.045      3.75908  14.0355  0.0947009 ?        ?         
1 1 1 22 1  1  o 15.7825  0.108045  249.165      3.41043  251.388      4.76132  246.823      4.8873   15.8504  0.150195  15.7055  0.155592  
1 1 1 22 1  2  o 2.93528  0.0483238 8.6164       0.283687 8.49794      0.393569 8.7445       0.409281 2.91494  0.0675089 2.95692  0.0692073 
1 1 1 22 1  3  o 8.04229  0.0594434 64.6847      0.956123 65.6582      1.355    63.7193      1.34935  8.10221  0.083619  7.98166  0.0845278 
1 1 1 22 1  4  o 9.17186  0.0707866 84.1345      1.29849  83.1941      1.79676  85.1626      1.87866  9.11987  0.0985078 9.22705  0.101802  
1 1 1 22 1  5  o 10.8073  0.0825245 116.82       1.78374  115.895      2.50725  117.768      2.53821  10.7634  0.116471  10.8501  0.116968  
1 1 1 22 1  6  o 8.31814  0.0692617 69.2008      1.15226  70.2026      1.6064   68.1392      1.6537   8.37762  0.0958748 8.25349  0.100182  
1 1 1 22 1  7  o 6.60396  0.0575134 43.6162      0.759633 43.7008      1.06848  43.5298      1.08018  6.61007  0.080822  6.59711  0.0818679 
1 1 1 22 1  8  o 3.0549   0.062267  9.33335      0.380439 8.28152      0.529649 10.4544      0.546804 2.87745  0.0920345 3.23303  0.0845653 
1 1 1 22 1  9  o 18.8028  0.137166  353.712      5.15824  354.985      7.41716  352.521      7.1784   18.8318  0.196931  18.7669  0.191252  
1 1 1 22 1  10 o 5.11012  0.0581729 26.1154      0.59454  26.5518      0.855009 25.7068      0.82729  5.15242  0.0829717 5.06978  0.0815903 
1 1 1 22 1  11 o 14.6212  0.102128  213.832      2.98648  217.044      4.32853  210.914      4.12579  14.7287  0.146942  14.5194  0.142078  
1 1 1 22 1  12 o 11.0073  0.0835582 121.177      1.8395   120.912      2.5625   121.457      2.64222  10.9945  0.116535  11.0192  0.119891  
1 1 1 22 1  13 o 7.64797  0.0696782 58.4962      1.06579  55.0554      1.46444  62.3711      1.55407  7.41932  0.0986907 7.89689  0.0983978 
1 1 1 22 1  14 o 16.2253  0.118906  263.315      3.85857  263.106      5.5158   263.516      5.39974  16.2171  0.170062  16.2298  0.166352  
1 1 1 22 1  15 o 11.4252  0.089278  130.55       2.04003  130.708      2.8212   130.377      2.95342  11.4314  0.123397  11.4168  0.129345  
1 1 1 22 1  16 o 19.0765  0.13806   364.019      5.26741  365.219      7.38462  362.776      7.51559  19.1052  0.193262  19.041   0.197353  
1 1 1 22 1  17 o 12.4489  0.091942  154.996      2.28914  156.593      3.25697  153.438      3.21806  12.5119  0.130155  12.3852  0.129916  
1 1 1 22 1  18 o 7.58186  0.0852657 57.493       1.29294  62.182       2.10336  54.6452      1.63922  7.88414  0.133392  7.39132  0.110888  
1 1 1 22 1  19 o 12.3111  0.0951023 151.593      2.34163  153.165      3.36588  150.119      3.2598   12.3735  0.136012  12.25    0.133053  
1 1 1 22 1  20 o 10.0218  0.0962566 100.459      1.92934  100.452      2.69615  100.467      2.76203  10.0204  0.134533  10.021   0.137812  
1 1 1 22 1  21 o 8.74461  0.088927  76.4848      1.55526  76.9368      2.20863  76.0403      2.19043  8.76944  0.125928  8.71821  0.125624  
1 1 1 22 1  22 o 8.00607  0.0962167 64.1162      1.54063  65.554       2.2384   62.8219      2.1237   8.09406  0.138274  7.92374  0.134008  
1 1 1 22 1  23 o 4.89923  0.109369  24.0146      1.07165  26.5543      1.52202  21.5177      1.50915  5.15067  0.14775   4.63609  0.162761  
1 1 1 22 1  24 o 4.9828   0.101933  24.8418      1.01582  24.9056      1.44019  24.7787      1.43303  4.98783  0.14437   4.97513  0.144019  
1 1 1 22 1  25 o 2.00973  0.216378  4.05105      0.869723 4.21617      1.22889  3.88535      1.23106  2.04741  0.30011   1.96493  0.313257  
1 1 1 22 1  26 o 2.45453  0.198835  6.04381      0.976093 5.78955      1.3489   6.3233       1.41422  2.39848  0.281199  2.50656  0.282104  
1 1 1 22 1  27 o 7.90238  0.0958139 62.5083      1.51432  61.9821      2.13621  63.0398      2.14696  7.86524  0.135801  7.93212  0.135333  
1 1 1 22 1  28 o 10.4142  0.100281  108.595      2.08869  109.841      3.04557  107.488      2.86996  10.4664  0.145492  10.355   0.138578  
1 1 1 22 1  29 o 5.35484  0.103739  28.7209      1.11102  28.1104      1.56013  29.3491      1.58254  5.29314  0.147373  5.40864  0.146297  
1 1 1 22 1  30 o 3.63882  0.127531  13.2808      0.928128 13.7127      1.30471  12.8384      1.32058  3.69241  0.176675  3.57177  0.184863  
1 1 1 22 1  31 o 1.77282  0.24032   3.18165      0.852088 4.06258      1.19854  2.28135      1.21164  1.99662  0.300143  1.46197  0.402049  
1 1 1 22 1  32 o 4.15322  0.126504  17.3222      1.0508   17.0096      1.47481  17.6445      1.49755  4.10693  0.179551  4.18299  0.179005  
1 1 1 22 1  33 o 3.00721  0.164339  9.11899      0.988403 10.177       1.39386  8.04889      1.4018   3.16636  0.220104  2.80998  0.249432  
1 1 1 22 1  34 o 3.84958  0.140953  14.9252      1.08522  16.6571      1.54687  13.2466      1.52289  4.05467  0.190752  3.61061  0.210891  
1 1 1 22 1  35 o 2.26869  0.223485  5.24926      1.01403  5.54657      1.47747  4.9845       1.39427  2.30833  0.320029  2.18865  0.318522  
1 1 1 22 1  36 o 1.88993  0.255536  3.68905      0.965891 2.11954      1.34104  5.38098      1.39236  1.38507  0.435127  2.26679  0.307122  
1 1 1 22 1  37 f 1.72989  0.318875  3.25352      1.06185  2.77477      1.54219  3.68508      1.46421  1.55032  0.462616  1.80045  0.414873  
1 1 1 22 1  38 o 0.916162 0.373317  0.493894     1.07967  0.739227     1.53329  0.252616     1.52057  1.07766  0.442954  0.991486 0.42593   
1 1 1 22 1  39 o 2.17136  0.258254  4.95496      1.12152  3.65786      1.61551  6.16163      1.55818  1.74545  0.457299  2.38693  0.326399  
1 1 1 22 1  40 o 2.10023  0.262462  4.68112      1.10246  3.71759      1.54708  5.67522      1.57144  1.75022  0.44168   2.26375  0.347088  
1 1 1 22 1  41 o 2.1609   0.251574  5.02128      1.08726  6.89943      1.49236  2.89669      1.58725  2.49766  0.298751  1.48371  0.474289  
1 1 1 22 1  42 o 0.865734 0.366755  0.448837     1.10035  0.246838     1.54511  0.656701     1.56739  0.930685 0.41328   0.994761 0.429965  
1 1 1 22 1  43 o 1.06504  0.384724  1.44448      1.0534   0.526756     1.48595  2.3716       1.49354  0.925917 0.408964  1.27336  0.458286  
1 1 1 22 1  44 o 0.770551 0.350284  0.08459      1.18035  -0.635301    1.65645  0.827203     1.68238  0.78695  0.376139  0.945017 0.424977  
1 1 1 22 1  45 o 1.55498  0.397756  3.6304       1.24205  4.29076      1.82034  3.05516      1.69898  1.46146  0.507893  1.24241  0.480261  
1 1 1 22 1  46 o 0.854904 0.379987  1.21152      1.31019  0.994066     1.8451   1.4327       1.86079  0.837276 0.399425  0.875756 0.411505  
1 1 1 22 2  0  o 4.13159  0.0622546 17.0825      0.514157 17.0825      0.514157 17.0825      0.514157 4.13235  0.0440013 ?        ?         
1 1 1 22 2  1  o 3.02752  0.0477827 9.16644      0.289326 8.95678      0.408108 9.3783       0.410239 2.9926   0.0681863 3.06222  0.066984  
1 1 1 22 2  2  o 17.8759  0.126285  319.686      4.51492  320.904      6.48471  318.541      6.28988  17.9058  0.181079  17.8402  0.176284  
1 1 1 22 2  3  o 12.4642  0.0918771 155.391      2.29034  154.557      3.18547  156.285      3.2954   12.4293  0.128144  12.4984  0.131833  
1 1 1 22 2  4  f 10.9549  0.084223  120.033      1.84531  117.383      2.52642  123.064      2.70171  10.8323  0.116615  11.0912  0.121795  
1 1 1 22 2  5  o 16.8034  0.130469  282.489      4.38466  278.938      5.96386  286.667      6.46854  16.694   0.178623  16.9226  0.191121  
1 1 1 22 2  6  o 13.7185  0.0989766 188.247      2.71561  187.593      3.87186  188.88       3.8098   13.6927  0.141384  13.7397  0.138642  
1 1 1 22 2  7  o 7.54298  0.0618804 56.9023      0.933525 55.8975      1.29514  57.9889      1.34678  7.47572  0.0866235 7.61425  0.0884378 
1 1 1 22 2  8  o 7.31437  0.0606358 53.505       0.887025 54.7187      1.28817  52.4105      1.22324  7.39649  0.0870795 7.23885  0.0844911 
1 1 1 22 2  9  o 15.182   0.110008  230.562      3.34027  228.278      4.74466  232.806      4.70332  15.1043  0.157064  15.2535  0.154172  
1 1 1 22 2  10 o 10.7608  0.0805571 115.812      1.73371  116.015      2.43023  115.602      2.47404  10.7694  0.112831  10.7501  0.11507   
1 1 1 22 2  11 o 5.79013  0.0622405 33.5285      0.720761 33.2024      1.00667  33.8714      1.03244  5.76167  0.0873588 5.81941  0.088707  
1 1 1 22 2  12 o 14.5444  0.102204  211.581      2.97299  211.492      4.24782  211.666      4.16236  14.5399  0.146075  14.5459  0.143076  
1 1 1 22 2  13 o 11.6289  0.0898211 135.249      2.08904  134.756      2.91426  135.769      2.99615  11.607   0.125539  11.6504  0.128585  
1 1 1 22 2  14 o 13.0285  0.0963559 169.764      2.51074  172.112      3.63341  167.619      3.47344  13.1173  0.138497  12.945   0.134161  
1 1 1 22 2  15 f 12.3454  0.0945229 152.429      2.33384  152.118      3.28643  152.745      3.31486  12.332   0.133249  12.3573  0.134125  
1 1 1 22 2  16 o 16.3388  0.116073  267.012      3.79298  266.005      5.22394  268.134      5.51615  16.3064  0.16018   16.3712  0.168471  
1 1 1 22 2  17 f 14.0462  0.102033  197.331      2.86635  198.645      4.11605  196.095      3.99397  14.0914  0.146048  14.0008  0.142633  
1 1 1 22 2  18 o 12.808   0.0951706 164.075      2.43789  165.53       3.46494  162.649      3.4307   12.8635  0.134682  12.751   0.134527  
1 1 1 22 2  19 o 15.5742  0.111618  242.62       3.47671  245.61       4.95908  239.731      4.8756   15.6677  0.158259  15.4791  0.15749   
1 1 1 22 2  20 o 5.74203  0.107822  32.9803      1.23824  28.9185      1.5982   39.0798      1.95849  5.37614  0.148639  6.2495   0.156692  
1 1 1 22 2  21 o 4.67438  0.10189   21.8562      0.952545 22.5246      1.34673  21.187       1.34747  4.74466  0.141921  4.60154  0.146416  
1 1 1 22 2  22 o 3.85574  0.137106  14.8761      1.05729  14.6496      1.50694  15.0957      1.4838   3.82498  0.196986  3.88294  0.191066  
1 1 1 22 2  23 o 3.54864  0.132916  12.6027      0.94334  12.2988      1.30161  12.9389      1.36912  3.50425  0.185718  3.59415  0.190465  
1 1 1 22 2  24 o 6.14116  0.0927907 37.7314      1.13968  39.7783      1.61798  35.7158      1.60561  6.3042   0.128325  5.97336  0.134397  
1 1 1 22 2  25 o 1.98779  0.221233  3.96403      0.879533 3.54836      1.23919  4.38601      1.24856  1.84662  0.348269  2.08808  0.298973  
1 1 1 22 2  26 o 19.9905  0.146355  400.336      5.85141  396.795      8.12626  404.148      8.43253  19.8847  0.204334  20.0661  0.210118  
1 1 1 22 2  27 o 3.08252  0.158055  9.52759      0.974415 9.61882      1.37821  9.4364       1.37786  3.09317  0.222782  3.06354  0.22488   
1 1 1 22 2  28 o 2.61668  0.178537  6.87558      0.934349 7.34896      1.35833  6.45043      1.28727  2.69973  0.251568  2.52906  0.254495  
1 1 1 22 2  29 o 5.05942  0.107551  25.6437      1.08829  25.0985      1.51659  26.2225      1.56259  5.00083  0.151634  5.11143  0.152853  
1 1 1 22 2  30 o 5.80832  0.0973144 33.7971      1.13047  33.6174      1.59132  33.9801      1.60622  5.7877   0.137474  5.81875  0.138021  
1 1 1 22 2  31 f 3.89776  0.122851  15.2426      0.957684 16.9015      1.36037  13.6127      1.34845  4.0989   0.165943  3.67613  0.183406  
1 1 1 22 2  32 o 4.83422  0.115927  23.4551      1.12083  23.2044      1.56948  23.716       1.60118  4.79983  0.163493  4.85213  0.164998  
1 1 1 22 2  33 o 2.56604  0.189158  6.65887      0.970774 6.17725      1.35748  7.16298      1.38882  2.45575  0.276389  2.64756  0.262282  
1 1 1 22 2  34 o 2.29172  0.222635  5.3454       1.02043  4.906        1.42052  5.8139       1.46682  2.17335  0.326804  2.3705   0.30939   
1 1 1 22 2  35 o 1.54849  0.323643  2.58346      0.969764 2.4802       1.37075  2.68692      1.37216  1.49838  0.433031  1.55627  0.427797  
1 1 1 22 2  36 o 2.27429  0.211679  5.28958      0.962838 5.59955      1.39221  5.0054       1.33304  2.31405  0.300816  2.18656  0.304826  
1 1 1 22 2  37 o 2.36841  0.221965  5.77211      1.05141  5.55797      1.5034   5.9771       1.47097  2.28581  0.328855  2.37871  0.309194  
1 1 1 22 2  38 o 0.816538 0.357103  -0.0515089   1.10627  -1.10767     1.55828  1.02169      1.5708   0.822542 0.384274  1.13575  0.455203  
1 1 1 22 2  39 o 1.54148  0.366534  2.71114      1.115    3.58835      1.63112  1.94168      1.52765  1.72491  0.463011  1.31475  0.464453  
1 1 1 22 2  40 o 2.12054  0.264001  4.78478      1.11965  5.49447      1.48084  3.83757      1.71078  2.23386  0.331452  1.75059  0.476115  
1 1 1 22 2  41 o 1.96589  0.27817   4.22791      1.0937   3.71189      1.47645  4.85537      1.6281   1.7139   0.430859  1.97518  0.424343  
1 1 1 22 2  42 o 1.33135  0.388836  2.24549      1.09956  2.23941      1.53851  2.25183      1.57207  1.29046  0.465066  1.29203  0.469667  
1 1 1 22 2  43 o 1.163    0.392323  1.80263      1.08294  3.67497      1.55964  0.0595008    1.50486  1.58241  0.463392  0.864884 0.393793  
1 1 1 22 2  44 o 0.754161 0.344172  0.0165027    1.16402  -1.91252     1.63905  1.97941      1.65339  0.684225 0.336992  1.10824  0.458316  
1 1 1 22 2  45 o 0.680868 0.324678  -0.492389    1.21597  -0.363157    1.81992  -0.596601    1.63429  0.797733 0.384395  0.752072 0.362852  
1 1 1 22 2  46 o 1.43114  0.431805  3.85245      1.33862  4.52235      1.88955  3.17749      1.89665  1.28812  0.504711  1.07418  0.468697  
1 1 1 22 3  0  o 18.1112  0.182895  328.264      6.62335  328.264      6.62335  328.264      6.62335  18.1146  0.129287  ?        ?         
1 1 1 22 3  1  o 4.57516  0.0474592 20.9333      0.434266 21.4028      0.619583 20.48        0.608848 4.62604  0.0669669 4.5252   0.0672731 
1 1 1 22 3  2  o 10.3564  0.0778671 107.274      1.61285  108.954      2.28846  105.616      2.27344  10.4364  0.109639  10.2752  0.110628  
1 1 1 22 3  3  o 13.4852  0.101364  181.903      2.73384  183.916      3.85623  179.87       3.87631  13.5578  0.142215  13.4077  0.144556  
1 1 1 22 3  4  o 2.90273  0.0547706 8.42652      0.317968 8.49647      0.443238 8.35235      0.456401 2.91464  0.0760366 2.88979  0.0789678 
1 1 1 22 3  5  o 14.0371  0.103199  197.099      2.89723  197.182      4.04946  197.012      4.14688  14.0381  0.144231  14.0319  0.147767  
1 1 1 22 3  6  o 9.64143  0.0723296 92.9702      1.39472  93.2171      1.9774   92.7257      1.96751  9.65354  0.102418  9.62807  0.102176  
1 1 1 22 3  7  o 4.21275  0.0531961 17.7486      0.448205 17.406       0.630954 18.0976      0.636801 4.17174  0.0756224 4.25382  0.0748506 
1 1 1 22 3  8  o 23.748   0.163741  564.344      7.77705  567.848      11.1873  561.067      10.8188  23.813   0.234898  23.6713  0.228522  
1 1 1 22 3  9  o 7.37121  0.0637205 54.3401      0.939395 54.4957      1.35225  54.1949      1.30597  7.38136  0.0915987 7.36101  0.0887086 
1 1 1 22 3  10 f 3.34651  0.0687219 11.2004      0.459957 10.7789      0.643384 11.6409      0.657811 3.28275  0.0979946 3.4115   0.0964108 
1 1 1 22 3  11 o 15.1008  0.106576  228.088      3.21876  228.241      4.5567   227.934      4.54734  15.1041  0.150843  15.0939  0.150635  
1 1 1 22 3  12 o 13.0314  0.0940452 169.844      2.45108  172.928      3.59567  167.166      3.35006  13.148   0.136738  12.9274  0.129572  
1 1 1 22 3  13 o 10.6089  0.0864539 112.561      1.83436  112.417      2.62541  112.699      2.56403  10.6014  0.123824  10.6148  0.120776  
1 1 1 22 3  14 o 5.73175  0.066093  32.8551      0.757658 33.2868      1.11102  32.4798      1.0359   5.76907  0.0962913 5.69875  0.0908881 
1 1 1 22 3  15 f 25.1409  0.180574  632.37       9.07956  628.795      12.7714  636.023      12.9106  25.0634  0.254782  25.2069  0.256093  
1 1 1 22 3  16 o 6.12123  0.0697844 37.4724      0.854333 37.6452      1.16211  37.2691      1.26027  6.13512  0.0947096 6.10432  0.103228  
1 1 1 22 3  17 o 8.73204  0.0766448 76.2568      1.33853  78.7396      1.93959  73.9992      1.84955  8.87254  0.109303  8.60135  0.107515  
1 1 1 22 3  18 o 12.7204  0.0951001 161.84       2.41943  164.408      3.45448  159.367      3.38962  12.8198  0.134733  12.6217  0.134277  
1 1 1 22 3  19 f 6.94977  0.0816576 48.3063      1.135    47.4856      1.58147  49.1781      1.6299   6.88998  0.114766  7.01166  0.116228  
1 1 1 22 3  20 o 16.6265  0.140282  276.578      4.6648   274.022      6.54159  279.222      6.6539   16.5454  0.197686  16.7016  0.1992    
1 1 1 22 3  21 o 3.31735  0.12929   11.0101      0.857801 11.1635      1.21039  10.8553      1.21585  3.33959  0.181219  3.29311  0.184606  
1 1 1 22 3  22 o 8.22501  0.101813  67.6755      1.67482  67.4726      2.34649  67.8863      2.39125  8.21121  0.142883  8.23625  0.145166  
1 1 1 22 3  23 o 3.34939  0.137182  11.2281      0.918954 12.3653      1.29646  10.0797      1.30276  3.51367  0.184488  3.17177  0.205368  
1 1 1 22 3  24 o 6.29282  0.0912237 39.6181      1.14811  40.7699      1.62683  38.4751      1.62053  6.38224  0.12745   6.19988  0.130691  
1 1 1 22 3  25 o 2.43555  0.183938  5.94556      0.89598  5.55879      1.24893  6.3557       1.2861   2.352    0.265503  2.51539  0.255647  
1 1 1 22 3  26 o 3.42193  0.140913  11.73        0.964388 12.8391      1.34579  10.5593      1.38266  3.5776   0.188085  3.24301  0.213176  
1 1 1 22 3  27 o 5.14319  0.109087  26.4871      1.12211  27.0856      1.58372  25.8837      1.59011  5.19773  0.152347  5.08074  0.156484  
1 1 1 22 3  28 o 4.92861  0.108126  24.3297      1.06583  24.1831      1.52496  24.4698      1.49025  4.90961  0.155304  4.93908  0.150863  
1 1 1 22 3  29 o 0.848311 0.337125  0.39614      0.853559 0.459924     1.19779  0.330329     1.21667  0.980128 0.395557  0.959558 0.394522  
1 1 1 22 3  30 o 2.15249  0.200155  4.66928      0.861664 4.77984      1.21162  4.55615      1.22565  2.16993  0.279184  2.11737  0.289429  
1 1 1 22 3  31 o 4.16241  0.119894  17.3815      0.998099 17.8191      1.39701  16.9253      1.4265   4.20834  0.165982  4.1002   0.173955  
1 1 1 22 3  32 o 4.81378  0.119949  23.2652      1.15481  22.965       1.57351  23.6156      1.70014  4.77435  0.164788  4.83905  0.175669  
1 1 1 22 3  33 o 1.98165  0.235047  3.99667      0.93156  4.93037      1.31417  3.05365      1.32071  2.18853  0.30024   1.67268  0.399668  
1 1 1 22 3  34 o 3.21866  0.170594  10.4676      1.09817  12.0051      1.58582  9.05091      1.52222  3.4319   0.231041  2.97348  0.255966  
1 1 1 22 3  35 o 3.39169  0.156535  11.617       1.06183  12.2687      1.50424  10.9697      1.49909  3.46968  0.216769  3.27738  0.228703  
1 1 1 22 3  36 o 1.61481  0.303017  2.80655      0.942541 2.54712      1.36145  3.04534      1.30617  1.50303  0.430646  1.64855  0.399722  
1 1 1 22 3  37 o 1.03471  0.377783  1.01074      1.0181   2.37181      1.45038  -0.311365    1.42947  1.44267  0.452378  0.886711 0.395433  
1 1 1 22 3  38 o 0.847885 0.361751  0.166892     1.08374  1.40604      1.57984  -0.934495    1.48943  1.21039  0.464219  0.819326 0.380021  
1 1 1 22 3  39 o 0.799511 0.352182  -0.097187    1.092    -0.919655    1.51703  0.787257     1.57315  0.825388 0.383099  1.08404  0.447606  
1 1 1 22 3  40 o 2.75235  0.206502  7.88364      1.13673  8.34196      1.5255   7.31143      1.70452  2.79072  0.273316  2.57293  0.331241  
1 1 1 22 3  41 o 0.655067 0.307181  -0.758339    1.01983  0.228076     1.4133   -1.82993     1.47306  0.915718 0.402026  0.699984 0.338979  
1 1 1 22 3  42 o 3.48121  0.172986  12.6647      1.2044   13.66        1.68871  11.6342      1.71824  3.54841  0.237953  3.24464  0.264781  
1 1 1 22 3  43 o 0.796069 0.348897  0.260677     1.06069  1.54447      1.50316  -1.01251     1.49694  1.09384  0.44243   0.74666  0.357046  
1 1 1 22 3  44 o 1.50605  0.385004  3.2106       1.16422  3.05903      1.67972  3.35074      1.61509  1.30238  0.483845  1.38283  0.478611  
1 1 1 22 3  45 o 0.764559 0.351628  0.245419     1.24149  0.0694696    1.89141  0.378606     1.6456   0.829073 0.397626  0.831388 0.389924  
1 1 1 22 3  46 o 1.10728  0.425421  2.54428      1.3287   1.66676      1.85096  3.47721      1.9085   0.907128 0.421856  1.11946  0.478914  
1 1 1 22 4  0  o 6.83411  0.0827151 46.73        1.13019  46.73        1.13019  46.73        1.13019  6.83502  0.0584709 ?        ?         
1 1 1 22 4  1  o 7.55729  0.0610481 57.1186      0.922717 57.0875      1.30545  57.1497      1.30439  7.55484  0.0863985 7.55896  0.0862807 
1 1 1 22 4  2  o 9.09603  0.0714029 82.7496      1.29897  84.031       1.8404   81.4775      1.83365  9.16556  0.100398  9.02519  0.101585  
1 1 1 22 4  3  o 12.676   0.0924912 160.719      2.34483  161.741      3.33269  159.716      3.29974  12.7147  0.131057  12.6349  0.130581  
1 1 1 22 4  4  o 8.29997  0.0635006 68.8972      1.05411  69.0014      1.49143  68.7933      1.49004  8.30578  0.0897826 8.29324  0.0898343 
1 1 1 22 4  5  o 5.79045  0.053427  33.5319      0.618733 33.5391      0.852133 33.5239      0.899857 5.79087  0.0735755 5.78951  0.0777144 
1 1 1 22 4  6  o 2.11611  0.0735717 4.47857      0.311372 4.77994      0.438589 4.17233      0.442126 2.18602  0.100317  2.04231  0.108242  
1 1 1 22 4  7  o 3.33076  0.0579747 11.0949      0.386199 11.7921      0.546665 10.4002      0.545672 3.43368  0.0796034 3.22465  0.0846097 
1 1 1 22 4  8  o 4.74711  0.0555703 22.5367      0.527596 23.3573      0.758176 21.7663      0.734647 4.83257  0.0784444 4.66508  0.078739  
1 1 1 22 4  9  o 15.3293  0.109731  235.056      3.36421  237.824      4.93046  232.644      4.60194  15.4168  0.159905  15.2485  0.150898  
1 1 1 22 4  10 o 10.2285  0.0789162 104.637      1.61439  105.216      2.24275  104.014      2.32569  10.2561  0.109337  10.1972  0.114036  
1 1 1 22 4  11 o 7.19461  0.0622056 51.7662      0.89509  52.8316      1.28737  50.7693      1.24537  7.26798  0.0885645 7.12473  0.0873979 
1 1 1 22 4  12 o 25.2608  0.174669  638.431      8.82454  646.373      12.486   630.504      12.4736  25.4109  0.245681  25.0968  0.24851   
1 1 1 22 4  13 o 11.424   0.0876233 130.523      2.00202  131.459      2.85022  129.612      2.81272  11.4642  0.12431   11.3834  0.123545  
1 1 1 22 4  14 o 32.998   0.224859  1089.68      14.8398  1090.45      21.4718  1088.98      20.5329  32.9956  0.325375  32.9756  0.311334  
1 1 1 22 4  15 o 2.75027  0.102396  7.56517      0.563233 6.62512      0.814076 8.42833      0.780075 2.57344  0.158169  2.90276  0.134368  
1 1 1 22 4  16 o 23.5014  0.160288  552.549      7.53396  547.333      10.4454  558.206      10.877   23.3854  0.223331  23.6159  0.23029   
1 1 1 22 4  17 o 9.71504  0.0815944 94.3942      1.58539  97.0114      2.2739   91.9186      2.21155  9.84816  0.115448  9.58618  0.115351  
1 1 1 22 4  18 o 21.1054  0.144244  445.633      6.08867  445.447      8.59398  445.82       8.62746  21.0964  0.203684  21.1051  0.204392  
1 1 1 22 4  19 o 12.7051  0.0996841 161.457      2.533    161.825      3.54551  161.073      3.62006  12.7183  0.139387  12.6885  0.142651  
1 1 1 22 4  20 o 17.1681  0.138274  294.891      4.7478   299.37       6.88243  290.825      6.55812  17.2934  0.19899   17.0453  0.192373  
1 1 1 22 4  21 f 12.7984  0.103827  163.851      2.65763  160.928      3.70842  166.937      3.81056  12.6817  0.146212  12.9162  0.147511  
1 1 1 22 4  22 o 11.726   0.110261  137.562      2.58585  139.56       3.68231  135.618      3.63209  11.8082  0.155922  11.6402  0.156015  
1 1 1 22 4  23 o 6.97851  0.0904286 48.7186      1.26211  49.3012      1.78654  48.1382      1.78326  7.01876  0.127269  6.93542  0.128562  
1 1 1 22 4  24 o 7.39268  0.0880809 54.6762      1.30231  55.0381      1.84861  54.3197      1.83494  7.41543  0.124646  7.36688  0.12454   
1 1 1 22 4  25 o 6.25982  0.0946931 39.2102      1.18552  42.1534      1.70215  36.4375      1.65213  6.48856  0.131166  6.03229  0.136941  
1 1 1 22 4  26 o 6.68448  0.0930672 44.7182      1.24421  44.7297      1.73458  44.7061      1.7857   6.68281  0.129779  6.68073  0.133645  
1 1 1 22 4  27 o 1.78628  0.256835  3.21458      0.917561 1.84735      1.32857  4.46147      1.26875  1.35709  0.433934  2.10139  0.301884  
1 1 1 22 4  28 o 9.15243  0.0970463 83.8765      1.77642  86.1035      2.54372  81.7564      2.48189  9.26706  0.137245  9.03006  0.137424  
1 1 1 22 4  29 o 2.30441  0.18871   5.34151      0.869732 6.42095      1.19583  4.12929      1.26725  2.52219  0.237062  2.01555  0.314367  
1 1 1 22 4  30 o 3.24198  0.138653  10.5506      0.89902  11.9314      1.26895  9.15919      1.27387  3.44261  0.184301  3.0131   0.211389  
1 1 1 22 4  31 o 6.91108  0.0956526 47.8639      1.32213  51.3495      1.8843   44.4839      1.85557  7.15158  0.13174   6.65475  0.139417  
1 1 1 22 4  32 o 1.25915  0.358238  1.6877       0.945334 1.15358      1.28578  2.31613      1.39466  1.15195  0.424163  1.46991  0.440198  
1 1 1 22 4  33 o 2.35517  0.202943  5.62221      0.955928 5.01833      1.40105  6.14819      1.30756  2.20324  0.317952  2.45057  0.266788  
1 1 1 22 4  34 o 0.793184 0.340692  -0.000936661 0.972619 0.711683     1.4008   -0.664294    1.35151  1.07268  0.42989   0.827515 0.375817  
1 1 1 22 4  35 o 3.71259  0.140948  13.8962      1.04656  15.2104      1.47105  12.5493      1.48924  3.87104  0.190007  3.50974  0.212158  
1 1 1 22 4  36 o 1.50109  0.328209  2.46283      0.958219 3.68858      1.39864  1.37858      1.31544  1.81699  0.395878  1.18737  0.429821  
1 1 1 22 4  37 o 1.18533  0.376768  1.52926      1.00267  0.549087     1.39877  2.56523      1.43803  1.01773  0.421259  1.4935   0.446935  
1 1 1 22 4  38 o 3.12156  0.186433  9.9908       1.16393  10.1844      1.64736  9.79785      1.64472  3.11318  0.264579  3.05073  0.269562  
1 1 1 22 4  39 o 0.82763  0.357666  0.0847365    1.08425  1.01643      1.51848  -0.884372    1.54868  1.11283  0.446918  0.837368 0.38805   
1 1 1 22 4  40 o 2.01953  0.275113  4.38544      1.1112   5.48758      1.5122   3.09179      1.63832  2.21864  0.340794  1.5594   0.479163  
1 1 1 22 4  41 o 1.66606  0.327364  3.21511      1.05194  3.69438      1.45074  2.68373      1.52757  1.71043  0.425346  1.42869  0.465953  
1 1 1 22 4  42 o 0.616021 0.295789  -1.12427     1.05427  -1.08344     1.48901  -1.1653      1.49293  0.755018 0.359858  0.748696 0.357672  
1 1 1 22 4  43 o 0.892222 0.369614  0.743675     1.07822  -0.0693287   1.52783  1.55033      1.52186  0.850317 0.390652  1.09237  0.443854  
1 1 1 22 4  44 o 0.733271 0.338032  -0.0746845   1.15538  -1.04385     1.67396  0.807069     1.59669  0.744997 0.360894  0.91773  0.413286  
1 1 1 22 4  45 o 1.01331  0.406676  1.80018      1.25613  2.74682      1.89764  1.06189      1.67585  1.09548  0.473293  0.892381 0.409625  
1 1 1 22 4  46 o 0.539734 0.269867  -1.9858      1.23407  -2.03818     1.68755  -1.92558     1.80929  0.627591 0.313796  0.651671 0.325835  
1 1 1 22 5  0  f 1.11743  0.184153  1.34671      0.377833 1.34671      0.377833 1.34671      0.377833 1.14182  0.120028  ?        ?         
1 1 1 22 5  1  o 4.88177  0.0482707 23.8332      0.471293 24.0508      0.678803 23.6307      0.654858 4.90384  0.0692114 4.86083  0.0673608 
1 1 1 22 5  2  o 13.6601  0.0967629 186.647      2.64358  188.873      3.77856  184.514      3.69987  13.7395  0.137507  13.5801  0.136224  
1 1 1 22 5  3  o 4.76233  0.048293  22.6812      0.459974 22.3067      0.640065 23.0812      0.661466 4.7227   0.0677648 4.80398  0.0688456 
1 1 1 22 5  4  o 21.7614  0.151666  473.852      6.60094  471.098      9.27691  476.676      9.39446  21.6914  0.213838  21.8193  0.215279  
1 1 1 22 5  5  o 6.03196  0.0524162 36.3872      0.632345 36.7454      0.903858 36.0438      0.884982 6.06136  0.074559  6.00322  0.073709  
1 1 1 22 5  6  o 10.3553  0.0778696 107.249      1.61273  107.681      2.32105  106.845      2.24246  10.3753  0.111855  10.335   0.108488  
1 1 1 22 5  7  o 2.87115  0.064347  8.24432      0.369499 8.28718      0.517232 8.19965      0.528037 2.87846  0.0898453 2.8632   0.092211  
1 1 1 22 5  8  f 8.16232  0.0670122 66.6307      1.09395  69.6269      1.62142  64.1272      1.48211  8.34331  0.0971686 8.00711  0.0925496 
1 1 1 22 5  9  o 20.1666  0.145227  406.892      5.85747  406.389      8.28146  407.396      8.28597  20.149   0.205506  20.174   0.205363  
1 1 1 22 5  10 f 6.85412  0.0662448 46.9833      0.908101 47.764       1.30184  46.2434      1.26735  6.9105   0.0941929 6.79963  0.0931926 
1 1 1 22 5  11 o 8.32499  0.0690895 69.3114      1.15034  70.7079      1.67051  68.0519      1.5864   8.40804  0.0993398 8.24866  0.0961609 
1 1 1 22 5  12 o 14.7555  0.109949  217.766      3.24469  211.063      4.57517  224.548      4.60234  14.5251  0.157492  14.9821  0.153595  
1 1 1 22 5  13 o 5.82406  0.0631585 33.9217      0.735678 33.8163      1.05606  34.021       1.02543  5.81482  0.0908073 5.83241  0.0879079 
1 1 1 22 5  14 o 17.2135  0.125012  296.374      4.30379  300.344      6.23155  292.754      5.95108  17.3262  0.179831  17.1061  0.173946  
1 1 1 22 5  15 o 4.76288  0.0732685 22.6868      0.697937 22.2822      1.01232  23.0534      0.96355  4.71999  0.107238  4.80102  0.100348  
1 1 1 22 5  16 o 0.960014 0.274621  0.944449     0.554075 1.104        0.7814   0.783103     0.785779 1.05636  0.332205  0.946793 0.333241  
1 1 1 22 5  17 o 15.4153  0.112833  237.693      3.47872  238.554      4.98198  236.874      4.8596   15.4411  0.161322  15.3868  0.157914  
1 1 1 22 5  18 o 1.31026  0.261408  1.77997      0.660768 1.39577      0.918043 2.19295      0.951805 1.17766  0.35805   1.45036  0.334687  
1 1 1 22 5  19 o 12.6473  0.103175  159.994      2.60978  157.834      3.63004  162.305      3.75469  12.5601  0.144507  12.7366  0.147397  
1 1 1 22 5  20 o 8.20734  0.0881506 67.3745      1.44696  67.9483      2.06154  66.8174      2.03143  8.24133  0.125073  8.17249  0.124285  
1 1 1 22 5  21 o 1.93915  0.224514  3.76621      0.870733 4.01163      1.26237  3.54348      1.2026   1.9998   0.315625  1.85017  0.337512  
1 1 1 22 5  22 o 6.18876  0.0967982 38.3149      1.19812  37.1865      1.64939  39.5754      1.74331  6.09585  0.135288  6.28849  0.138611  
1 1 1 22 5  23 o 3.16629  0.142351  10.0355      0.901449 10.5293      1.27781  9.54626      1.2719   3.24176  0.197085  3.08645  0.206046  
1 1 1 22 5  24 o 2.06168  0.205648  4.26134      0.847961 3.87968      1.19743  4.64526      1.20097  1.96419  0.304816  2.15023  0.279266  
1 1 1 22 5  25 o 5.20543  0.10195   27.1173      1.06139  27.7286      1.49275  26.4924      1.50945  5.26183  0.141847  5.14293  0.14675   
1 1 1 22 5  26 o 3.32292  0.138793  11.0628      0.922399 11.2717      1.2671   10.8273      1.34536  3.35147  0.189036  3.28373  0.204852  
1 1 1 22 5  27 o 6.07427  0.0981874 36.9382      1.19283  37.1555      1.71824  36.736       1.65725  6.08844  0.141107  6.05439  0.136863  
1 1 1 22 5  28 o 2.71576  0.166511  7.40447      0.904406 7.00261      1.26115  7.82996      1.29768  2.63547  0.239265  2.78742  0.232774  
1 1 1 22 5  29 o 2.61975  0.168324  6.89632      0.881932 6.72869      1.19828  7.09445      1.30274  2.58203  0.232042  2.64979  0.24582   
1 1 1 22 5  30 o 2.52941  0.172521  6.43645      0.872752 6.9412       1.2388   5.93903      1.22977  2.6199   0.236421  2.42133  0.253945  
1 1 1 22 5  31 f 2.87452  0.157673  8.31174      0.906469 6.59438      1.25097  10.2104      1.31533  2.54976  0.245311  3.17922  0.206864  
1 1 1 22 5  32 o 6.39579  0.10524   41.0372      1.34618  40.9377      1.85854  41.1471      1.95253  6.37883  0.14568   6.39321  0.152703  
1 1 1 22 5  33 o 0.843459 0.344915  0.308279     0.924927 -0.749151    1.33547  1.2831       1.28224  0.811993 0.370048  1.17691  0.424528  
1 1 1 22 5  34 o 5.07878  0.121351  25.9348      1.23263  24.7278      1.76455  27.085       1.7226   4.94342  0.178474  5.17767  0.166349  
1 1 1 22 5  35 o 1.75256  0.272771  3.17106      0.956098 3.20228      1.35648  3.14024      1.34781  1.69812  0.4046    1.68124  0.40504   
1 1 1 22 5  36 o 0.643559 0.299278  -0.742956    0.931515 0.33483      1.37244  -1.66355     1.26842  0.977435 0.411611  0.674509 0.32401   
1 1 1 22 5  37 o 2.97048  0.176615  8.99315      1.04927  9.41701      1.42489  8.49102      1.55088  3.01693  0.236149  2.84916  0.272164  
1 1 1 22 5  38 o 0.851187 0.361481  0.212448     1.07328  1.25831      1.54593  -0.760697    1.49123  1.17098  0.456987  0.837696 0.385311  
1 1 1 22 5  39 o 1.41568  0.383575  2.32672      1.11298  0.82271      1.61947  3.67286      1.53213  1.09339  0.452968  1.75108  0.438126  
1 1 1 22 5  40 o 0.93686  0.376208  0.694376     1.07584  0.752082     1.43164  0.619511     1.63065  1.02383  0.425127  1.03974  0.443676  
1 1 1 22 5  41 o 0.990889 0.372279  1.02784      0.999939 0.135515     1.41134  1.92724      1.41693  0.898696 0.397544  1.24536  0.44656   
1 1 1 22 5  42 o 0.901598 0.365188  0.738261     1.02614  2.13264      1.46647  -0.599444    1.43636  1.25156  0.45375   0.787897 0.368418  
1 1 1 22 5  43 o 1.53277  0.348887  2.97396      1.04584  3.39397      1.46705  2.53995      1.49132  1.52347  0.450482  1.29999  0.458931  
1 1 1 22 5  44 o 0.75733  0.344654  0.132836     1.14965  -0.0854925   1.62037  0.354145     1.63139  0.81449  0.383091  0.862255 0.399082  
1 1 1 22 5  45 o 0.894176 0.385481  1.26018      1.25359  1.55463      1.89062  1.02915      1.67466  0.931615 0.430586  0.873685 0.40436   
1 1 1 22 5  46 o 0.775048 0.354859  0.683587     1.24879  1.39904      1.73832  -0.0794362   1.79518  0.86832  0.405741  0.747765 0.365026  
1 1 1 22 6  0  o 14.9614  0.149002  223.977      4.45756  223.977      4.45756  223.977      4.45756  14.9636  0.105333  ?        ?         
1 1 1 22 6  1  o 5.66582  0.0577426 32.1044      0.654318 32.5439      0.913715 31.6417      0.937432 5.70423  0.080091  5.62456  0.0833338 
1 1 1 22 6  2  o 2.97522  0.0526588 8.85261      0.313343 9.34952      0.46474  8.43844      0.424286 3.05746  0.076001  2.90469  0.0730347 
1 1 1 22 6  3  o 17.8886  0.126533  320.14       4.52701  315.333      6.38612  324.995      6.41833  17.7499  0.179891  18.02    0.178089  
1 1 1 22 6  4  o 6.72202  0.0540092 45.189       0.726103 43.9226      1.00802  46.5548      1.04681  6.62691  0.0760551 6.82258  0.0767163 
1 1 1 22 6  5  o 5.88343  0.0551318 34.6174      0.648728 33.4867      0.888866 35.9063      0.948961 5.78633  0.0768074 5.9917   0.0791896 
1 1 1 22 6  6  o 16.4943  0.115041  272.152      3.79505  275.972      5.49662  268.672      5.24617  16.6067  0.165494  16.3859  0.160081  
1 1 1 22 6  7  o 4.75714  0.0556257 22.6321      0.529239 23.3046      0.758538 21.9941      0.738766 4.82712  0.0785705 4.68943  0.0787692 
1 1 1 22 6  8  o 9.96901  0.0790839 99.3958      1.57678  101.987      2.30709  97.1243      2.15997  10.0973  0.114243  9.85375  0.109602  
1 1 1 22 6  9  f 2.99205  0.0709009 8.95335      0.424277 9.37969      0.607974 8.54861      0.592368 3.06228  0.099268  2.92346  0.101313  
1 1 1 22 6  10 o 16.9108  0.116606  286.05       3.94381  288.056      5.55915  284.016      5.59581  16.9678  0.163815  16.8482  0.166065  
1 1 1 22 6  11 o 15.5133  0.11305   240.714      3.50757  238.781      4.87218  242.795      5.0537   15.4492  0.157684  15.5784  0.162203  
1 1 1 22 6  12 o 22.8633  0.158606  522.928      7.25253  528.68       10.4848  517.651      10.0428  22.9839  0.22809   22.7434  0.220784  
1 1 1 22 6  13 o 2.33873  0.0956046 5.47038      0.447186 5.21481      0.625553 5.73748      0.639512 2.28327  0.136986  2.39498  0.133511  
1 1 1 22 6  14 o 19.1205  0.135965  365.693      5.19943  366.289      7.36435  365.101      7.34192  19.1333  0.192449  19.1022  0.192174  
1 1 1 22 6  15 o 9.35975  0.0760726 87.6128      1.42404  88.372       2.04729  86.9011      1.98209  9.39975  0.108901  9.32123  0.106321  
1 1 1 22 6  16 o 29.3491  0.202986  862.014      11.9149  867.682      16.761   856.222      16.9409  29.4346  0.284716  29.2388  0.289699  
1 1 1 22 6  17 o 10.7267  0.0864118 115.079      1.85382  112.879      2.5778   117.437      2.66793  10.6228  0.121333  10.8351  0.123115  
1 1 1 22 6  18 o 29.5866  0.202906  876.148      12.0066  863.474      17.1228  888.408      16.8405  29.3577  0.291624  29.7802  0.282747  
1 1 1 22 6  19 o 2.59252  0.153421  6.72499      0.795492 7.30756      1.09938  6.08475      1.1525   2.70189  0.203446  2.46509  0.233764  
1 1 1 22 6  20 o 5.59953  0.0938352 31.3625      1.05087  29.9129      1.45153  32.9591      1.52337  5.46792  0.132732  5.73958  0.132707  
1 1 1 22 6  21 o 1.91751  0.235046  3.68342      0.901406 3.56745      1.29188  3.79345      1.25834  1.85358  0.361376  1.94438  0.323584  
1 1 1 22 6  22 o 4.35483  0.111299  18.9745      0.969381 17.528       1.33913  20.5669      1.40507  4.18436  0.160016  4.53275  0.154991  
1 1 1 22 6  23 o 11.69    0.102524  136.731      2.39702  137.208      3.34912  136.231      3.43221  11.7074  0.143035  11.6653  0.147112  
1 1 1 22 6  24 o 6.96325  0.0914528 48.5122      1.27362  51.378       1.83658  45.8574      1.76773  7.16413  0.128179  6.76817  0.130591  
1 1 1 22 6  25 o 10.8597  0.0958879 118.018      2.08263  116.523      2.88918  119.635      3.0048   10.787   0.13392   10.9297  0.137461  
1 1 1 22 6  26 o 3.49178  0.131642  12.2144      0.91933  11.7104      1.25461  12.7989      1.35099  3.41613  0.18363   3.57099  0.189162  
1 1 1 22 6  27 o 5.91133  0.0986466 34.9852      1.16627  35.636       1.69201  34.3961      1.60976  5.96228  0.141893  5.85808  0.137397  
1 1 1 22 6  28 o 3.16257  0.143636  10.032       0.908516 9.74155      1.26658  10.3399      1.30391  3.11166  0.203521  3.20581  0.203366  
1 1 1 22 6  29 o 2.54745  0.171397  6.52326      0.873249 7.00566      1.20615  5.99186      1.26594  2.63456  0.228909  2.43322  0.260137  
1 1 1 22 6  30 o 1.77644  0.24036   3.19336      0.853967 5.21296      1.2348   1.34185      1.1823   2.266    0.272463  1.18768  0.409646  
1 1 1 22 6  31 o 0.913566 0.341905  0.660119     0.841827 0.262709     1.17894  1.07353      1.20245  0.927329 0.385468  1.11768  0.41032   
1 1 1 22 6  32 f 2.2328   0.212078  5.05177      0.947055 5.4448       1.32601  4.64252      1.35308  2.30553  0.287571  2.12317  0.318645  
1 1 1 22 6  33 o 2.81936  0.178838  8.03814      1.00842  7.78439      1.4364   8.28476      1.41605  2.75713  0.260488  2.84733  0.248663  
1 1 1 22 6  34 o 1.04532  0.371769  1.02217      0.980265 0.206449     1.46838  1.67797      1.31661  0.996085 0.422909  1.27886  0.432584  
1 1 1 22 6  35 o 2.19403  0.21682   4.91868      0.951419 5.17823      1.3143   4.63291      1.37905  2.2312   0.294528  2.10065  0.328244  
1 1 1 22 6  36 o 1.00965  0.370362  0.938568     0.979484 0.477136     1.43572  1.34032      1.33966  1.01849  0.424495  1.17799  0.433037  
1 1 1 22 6  37 o 0.683857 0.312474  -0.541939    0.962822 -0.898125    1.33531  -0.156204    1.38959  0.776781 0.360109  0.894873 0.395338  
1 1 1 22 6  38 o 3.00584  0.184581  9.26576      1.10965  8.89694      1.53889  9.66522      1.60153  2.90761  0.264632  3.03079  0.264211  
1 1 1 22 6  39 o 0.932971 0.377227  0.610959     1.0922   0.583742     1.48421  0.643106     1.61302  1.02045  0.428803  1.05787  0.445892  
1 1 1 22 6  40 o 2.20119  0.239691  5.14293      1.05521  4.78765      1.46982  5.52081      1.51584  2.0191   0.377967  2.21521  0.342145  
1 1 1 22 6  41 o 1.03863  0.37459   1.2083       0.998284 1.3469       1.42565  1.07496      1.39832  1.11273  0.437742  1.05455  0.426647  
1 1 1 22 6  42 f 0.819528 0.350863  0.364872     1.0257   -0.394715    1.43197  1.16523      1.46989  0.807299 0.373742  1.04493  0.432136  
1 1 1 22 6  43 o 0.60226  0.289054  -0.96985     1.00405  -1.46506     1.40065  -0.446374    1.44006  0.677244 0.328712  0.78327  0.36689   
1 1 1 22 6  44 o 0.718991 0.334364  -0.154444    1.16281  0.980262     1.69728  -1.15814     1.5963   0.936902 0.423782  0.716026 0.348572  
1 1 1 22 6  45 o 0.610655 0.299359  -1.07997     1.24109  -0.0129189   1.82407  -1.99974     1.69351  0.782842 0.378775  0.642452 0.320698  
1 1 1 22 6  46 o 0.91541  0.390576  1.65448      1.26342  1.61213      1.74642  1.70098      1.83     0.877492 0.408728  0.882891 0.41356   
1 1 1 22 7  0  o 2.36834  0.0910848 5.63451      0.429991 5.63451      0.429991 5.63451      0.429991 2.37104  0.0642238 ?        ?         
1 1 1 22 7  1  o 10.0612  0.0744867 101.242      1.49884  102.341      2.16562  100.231      2.07656  10.1148  0.107052  10.0101  0.103723  
1 1 1 22 7  2  f 11.9643  0.0849392 143.172      2.03248  143.584      2.98105  142.814      2.77837  11.9802  0.124415  11.9484  0.116266  
1 1 1 22 7  3  o 16.5095  0.113416  272.655      3.74488  276.04       5.47881  269.687      5.13047  16.6086  0.164939  16.4169  0.156255  
1 1 1 22 7  4  o 10.5987  0.0779173 112.349      1.65164  109.882      2.34617  114.773      2.3255   10.4808  0.111927  10.7116  0.108551  
1 1 1 22 7  5  o 10.11    0.0780691 102.228      1.57856  105.135      2.31616  99.7074      2.15716  10.2519  0.112963  9.98389  0.108032  
1 1 1 22 7  6  o 16.9332  0.119281  286.833      4.03961  287.418      5.72571  286.254      5.70012  16.9474  0.168926  16.9131  0.168512  
1 1 1 22 7  7  o 8.62406  0.0701175 74.3831      1.20939  76.0345      1.72838  72.799       1.69286  8.71874  0.0991185 8.53122  0.0992156 
1 1 1 22 7  8  o 7.74759  0.0630381 60.0307      0.976786 60.6808      1.39193  59.3998      1.37108  7.78906  0.0893515 7.70641  0.088957  
1 1 1 22 7  9  o 13.4996  0.0968543 182.274      2.61499  182.345      3.74854  182.207      3.64974  13.5008  0.138827  13.4958  0.135217  
1 1 1 22 7  10 o 7.85373  0.0710538 61.6866      1.11607  61.0576      1.48543  62.5021      1.69125  7.81329  0.0950582 7.905    0.106974  
1 1 1 22 7  11 o 6.76428  0.0727256 45.7594      0.983873 45.0204      1.42085  46.4401      1.36372  6.70912  0.105889  6.81415  0.100066  
1 1 1 22 7  12 o 8.36245  0.0689663 69.9354      1.15345  69.4231      1.6128   70.4717      1.6503   8.33147  0.0967897 8.39414  0.0983009 
1 1 1 22 7  13 o 3.36276  0.0753953 11.3091      0.507073 10.9112      0.717595 11.7059      0.716624 3.30292  0.10863   3.42111  0.104736  
1 1 1 22 7  14 f 25.4775  0.178573  649.411      9.09915  651.668      12.629   646.974      13.1214  25.5158  0.247474  25.4227  0.258065  
1 1 1 22 7  15 o 4.35258  0.075266  18.9467      0.655203 19.4048      0.941046 18.5157      0.912794 4.40466  0.106824  4.30259  0.106075  
1 1 1 22 7  16 o 13.4192  0.10193   180.111      2.73563  180.111      3.954    180.111      3.78881  13.4177  0.147342  13.418   0.141184  
1 1 1 22 7  17 o 15.73    0.115024  247.501      3.61864  248.277      5.06177  246.69       5.17517  15.7525  0.160665  15.7019  0.164795  
1 1 1 22 7  18 o 24.3061  0.172054  591.171      8.36392  584.362      11.6963  598.297      11.9651  24.1579  0.24208   24.4438  0.244746  
1 1 1 22 7  19 o 10.9075  0.102187  119.006      2.22921  118.846      3.20883  119.155      3.09919  10.8986  0.147212  10.913   0.141995  
1 1 1 22 7  20 o 2.58053  0.161543  6.66418      0.833732 6.67788      1.16353  6.64972      1.19527  2.58226  0.225293  2.57669  0.231938  
1 1 1 22 7  21 o 7.23018  0.0959709 52.2921      1.38777  51.8765      1.99849  52.6791      1.92859  7.20014  0.138781  7.25582  0.1329    
1 1 1 22 7  22 o 8.39893  0.0914077 70.5683      1.53545  71.5452      2.16734  69.584       2.1756   8.4553   0.128164  8.33849  0.130456  
1 1 1 22 7  23 o 9.96489  0.0925575 99.3454      1.84465  101.16       2.62907  97.5858      2.58886  10.0532  0.130758  9.87396  0.131095  
1 1 1 22 7  24 o 0.701986 0.310011  -0.268425    0.853433 -0.445863    1.2115   -0.093636    1.20242  0.824573 0.366083  0.879925 0.378408  
1 1 1 22 7  25 o 2.41563  0.177877  5.85043      0.859368 6.61299      1.19753  5.04079      1.23394  2.56579  0.233365  2.23814  0.275663  
1 1 1 22 7  26 o 3.26147  0.137868  10.6588      0.899305 10.65        1.26672  10.6677      1.27696  3.25691  0.194466  3.25951  0.195883  
1 1 1 22 7  27 o 5.22651  0.10209   27.3525      1.06714  25.7166      1.49268  29.0628      1.52622  5.06416  0.147376  5.38412  0.141734  
1 1 1 22 7  28 o 1.71016  0.252432  2.95268      0.863401 4.38781      1.20218  1.42385      1.24081  2.08155  0.28877   1.22542  0.419946  
1 1 1 22 7  29 o 2.40734  0.183525  5.83099      0.883613 5.29168      1.25065  6.36851      1.24859  2.28472  0.273699  2.50938  0.248783  
1 1 1 22 7  30 o 1.62227  0.262486  2.66998      0.851645 3.80722      1.20576  1.53783      1.20306  1.93163  0.31211   1.24465  0.413509  
1 1 1 22 7  31 o 3.20784  0.149533  10.3493      0.959357 12.134       1.33443  8.44003      1.3802   3.46703  0.192446  2.88415  0.239273  
1 1 1 22 7  32 o 2.70091  0.170191  7.35899      0.919342 7.77175      1.2965   6.94156      1.30382  2.76486  0.234461  2.61014  0.24976   
1 1 1 22 7  33 o 5.23199  0.124382  27.5267      1.30153  27.9948      1.89777  27.1111      1.78839  5.26002  0.180396  5.17887  0.172662  
1 1 1 22 7  34 o 1.24942  0.361719  1.68194      0.955627 1.90829      1.3509   1.45521      1.35202  1.34207  0.43818   1.22568  0.43654   
1 1 1 22 7  35 o 2.82411  0.17335   8.09445      0.979116 8.37657      1.35181  7.78312      1.42007  2.85514  0.236732  2.74502  0.258664  
1 1 1 22 7  36 o 2.52938  0.210278  6.5592       1.06375  7.10197      1.51319  6.02892      1.49569  2.60268  0.290698  2.38923  0.313008  
1 1 1 22 7  37 o 2.07684  0.239223  4.47181      0.993652 5.17848      1.39053  3.73444      1.42042  2.20581  0.315197  1.81009  0.402876  
1 1 1 22 7  38 o 0.717301 0.326929  -0.501612    1.04298  -0.10887     1.50354  -0.86588     1.44801  0.925709 0.409802  0.811128 0.375635  
1 1 1 22 7  39 o 1.62173  0.359817  3.01829      1.13627  2.1203       1.57326  3.99746      1.64284  1.34354  0.471664  1.81042  0.454106  
1 1 1 22 7  40 o 1.29246  0.374605  1.99438      1.02435  2.39533      1.4337   1.57624      1.4641   1.37942  0.451409  1.18397  0.448976  
1 1 1 22 7  41 o 2.5473   0.209581  6.86273      1.06773  7.48495      1.49416  6.21342      1.52635  2.59799  0.287561  2.33367  0.327029  
1 1 1 22 7  42 o 0.50086  0.250114  -2.37668     1.03485  -2.81007     1.43286  -1.90415     1.49619  0.602927 0.300122  0.679892 0.332173  
1 1 1 22 7  43 o 0.615792 0.292849  -0.751183    0.980856 -0.335418    1.36859  -1.19028     1.40646  0.774082 0.361049  0.697523 0.336553  
1 1 1 22 7  44 o 1.22921  0.406817  2.36317      1.16444  1.25807      1.71168  3.3152       1.58872  0.969965 0.432631  1.34966  0.473959  
1 1 1 22 7  45 o 0.901457 0.385714  1.3716       1.23832  -0.148777    1.85892  2.58451      1.66035  0.770103 0.375122  1.05945  0.449754  
1 1 1 22 7  46 o 0.640512 0.31109   -0.402284    1.25815  -0.976678    1.71191  0.272384     1.85533  0.662736 0.329637  0.749687 0.367115  
1 1 1 22 8  0  o 0.96557  0.22912   1.07572      0.383797 1.07572      0.383797 1.07572      0.383797 1.00783  0.142856  ?        ?         
1 1 1 22 8  1  o 6.79454  0.0544407 46.1693      0.739798 46.5261      1.05416  45.823       1.03848  6.82047  0.0772791 6.76876  0.0767114 
1 1 1 22 8  2  o 15.8332  0.108963  250.766      3.45048  254.418      4.94683  247.306      4.81526  15.9455  0.155117  15.7212  0.153145  
1 1 1 22 8  3  o 11.1942  0.0812942 125.331      1.82005  125.575      2.58087  125.09       2.56707  11.2041  0.115175  11.1825  0.11478   
1 1 1 22 8  4  o 9.40842  0.0734644 88.5302      1.38237  89.2965      1.94355  87.7457      1.96657  9.44843  0.102851  9.36597  0.104985  
1 1 1 22 8  5  o 3.50218  0.0566641 12.2662      0.396896 12.4685      0.611285 12.1188      0.521855 3.53075  0.0865658 3.48097  0.0749584 
1 1 1 22 8  6  o 7.08493  0.0611571 50.2007      0.866587 51.1593      1.2365   49.2753      1.21486  7.15193  0.0864454 7.019    0.086541  
1 1 1 22 8  7  o 10.1748  0.0764833 103.54       1.5564   105.17       2.23548  102.007      2.16822  10.2538  0.109008  10.0985  0.107354  
1 1 1 22 8  8  o 8.50686  0.0653723 72.3733      1.11223  73.5926      1.60125  71.2366      1.54605  8.5778   0.0933368 8.43941  0.0915974 
1 1 1 22 8  9  o 4.13327  0.0676439 17.0854      0.559181 17.6493      0.81336  16.58        0.770022 4.20073  0.0968117 4.0715   0.0945624 
1 1 1 22 8  10 o 6.05226  0.0621188 36.6322      0.751918 36.1091      1.07661  37.1304      1.05061  6.00867  0.089588  6.09308  0.0862136 
1 1 1 22 8  11 o 25.8129  0.172744  666.604      8.91803  677.812      12.8019  656.038      12.4303  26.0227  0.245975  25.6016  0.242764  
1 1 1 22 8  12 o 28.7445  0.193898  826.705      11.147   831.63       15.6795  821.672      15.8505  28.822   0.272005  28.6484  0.276638  
1 1 1 22 8  13 o 16.4452  0.129628  270.511      4.2635   264.23       5.82469  277.76       6.25757  16.2512  0.179208  16.6617  0.187783  
1 1 1 22 8  14 f 27.8799  0.190383  777.717      10.6157  778.191      14.7102  777.202      15.3351  27.881   0.263803  27.862   0.275198  
1 1 1 22 8  15 o 23.6866  0.163142  561.313      7.72855  562.367      10.9439  560.264      10.9158  23.7031  0.230853  23.6588  0.230693  
1 1 1 22 8  16 o 4.36734  0.0846616 19.0764      0.739491 17.7688      1.04734  20.3763      1.04426  4.21465  0.12425   4.5134   0.115685  
1 1 1 22 8  17 o 15.2756  0.110183  233.406      3.36622  234.88       4.72619  231.887      4.79568  15.3219  0.15423   15.2238  0.157506  
1 1 1 22 8  18 o 9.54895  0.0898896 91.1993      1.7167   93.2283      2.44628  89.2305      2.4097   9.65369  0.126702  9.44441  0.127573  
1 1 1 22 8  19 o 14.8065  0.112906  219.307      3.3435   221.086      4.75368  217.565      4.70356  14.8639  0.159906  14.7451  0.159495  
1 1 1 22 8  20 o 15.082   0.122161  227.57       3.68487  229.656      5.30602  225.627      5.12126  15.1474  0.175147  15.0143  0.170546  
1 1 1 22 8  21 o 2.74396  0.166261  7.53702      0.91243  7.44308      1.28852  7.63149      1.29223  2.72537  0.236393  2.75971  0.234125  
1 1 1 22 8  22 o 2.30171  0.191536  5.307        0.881719 7.09121      1.24975  3.53876      1.24415  2.65946  0.234964  1.84588  0.349703  
1 1 1 22 8  23 f 12.3176  0.102448  151.814      2.52383  154.969      3.65376  148.934      3.49031  12.4411  0.146843  12.1968  0.143083  
1 1 1 22 8  24 o 12.9379  0.1048    167.516      2.7118   169.141      3.85805  165.929      3.81247  12.9955  0.148438  12.8715  0.148097  
1 1 1 22 8  25 o 7.5442   0.0900905 56.9555      1.35932  55.4567      1.88352  58.5846      1.96372  7.44168  0.126552  7.6485   0.128373  
1 1 1 22 8  26 o 8.36997  0.0918109 70.1211      1.53691  68.7803      2.13284  71.5694      2.21661  8.28587  0.128704  8.4519   0.131131  
1 1 1 22 8  27 o 0.900361 0.338839  0.608865     0.829055 0.394776     1.155    0.836412     1.19074  0.954123 0.387038  1.06606  0.404712  
1 1 1 22 8  28 o 1.50979  0.290018  2.38406      0.844484 1.00939      1.18767  3.78976      1.201    1.10597  0.407619  1.93204  0.310811  
1 1 1 22 8  29 o 6.12603  0.0955881 37.5932      1.17115  38.3127      1.66245  36.8844      1.65013  6.17914  0.134521  6.06262  0.136091  
1 1 1 22 8  30 o 1.70487  0.246877  2.94508      0.841786 3.30563      1.161    2.54546      1.22229  1.7684   0.340411  1.54057  0.394881  
1 1 1 22 8  31 o 2.3212   0.20251   5.44719      0.940134 5.33158      1.31779  5.56702      1.34164  2.28388  0.288497  2.33395  0.287417  
1 1 1 22 8  32 o 6.83814  0.0966808 46.8962      1.32224  46.3611      1.89941  47.3993      1.84177  6.78815  0.139906  6.86542  0.134134  
1 1 1 22 8  33 o 4.51149  0.133871  20.4848      1.20792  22.3457      1.73549  18.7362      1.68226  4.69818  0.184698  4.29882  0.195665  
1 1 1 22 8  34 o 2.70693  0.179228  7.421        0.970314 6.53753      1.34215  8.38837      1.40444  2.52149  0.266142  2.86211  0.245349  
1 1 1 22 8  35 o 2.4394   0.194579  6.06349      0.949311 5.08073      1.32932  7.08631      1.35614  2.20467  0.301478  2.61863  0.258941  
1 1 1 22 8  36 o 2.13857  0.241195  4.72747      1.03163  3.9525       1.45237  5.51662      1.4656   1.8733   0.399463  2.28144  0.321201  
1 1 1 22 8  37 o 2.43294  0.211379  6.09358      1.02854  7.55112      1.45363  4.63223      1.45553  2.68355  0.270841  2.03709  0.370985  
1 1 1 22 8  38 o 2.66454  0.206475  7.32953      1.10032  7.65816      1.59429  7.03062      1.52051  2.67865  0.297592  2.56735  0.296124  
1 1 1 22 8  39 f 1.06034  0.394132  1.12518      1.11487  2.80422      1.57046  -0.580648    1.58294  1.50966  0.470204  0.876504 0.400565  
1 1 1 22 8  40 o 0.825089 0.349105  0.308547     0.994985 0.339947     1.394    0.275937     1.42063  0.934056 0.404629  0.930134 0.405744  
1 1 1 22 8  41 o 1.32753  0.371444  2.16563      1.02461  1.82076      1.40558  2.5567       1.49676  1.20856  0.443631  1.3829   0.46123   
1 1 1 22 8  42 o 1.23505  0.384359  2.00488      1.04966  2.23059      1.42379  1.73615      1.55356  1.2533   0.447816  1.14226  0.454543  
1 1 1 22 8  43 o 1.06315  0.384569  1.5363       1.05287  0.789372     1.45695  2.35273      1.52323  0.931779 0.408638  1.21977  0.459239  
1 1 1 22 8  44 o 1.24544  0.405384  2.42251      1.15625  1.99262      1.68047  2.80899      1.59337  1.07231  0.453701  1.23295  0.468135  
1 1 1 22 8  45 f 0.690924 0.326297  -0.0433315   1.19887  1.03899      1.78055  -0.940946    1.62152  0.851893 0.400944  0.682721 0.336267  
1 1 1 22 8  46 f 0.820441 0.367677  1.34862      1.24936  0.803466     1.72878  1.94461      1.80758  0.755699 0.36629   0.84801  0.400563  
1 1 1 22 9  0  o 15.2672  0.145848  233.212      4.45245  233.212      4.45245  233.212      4.45245  15.2692  0.103106  ?        ?         
1 1 1 22 9  1  o 11.0231  0.0767049 121.527      1.69105  124.242      2.43876  119.012      2.3469   11.1447  0.109413  10.9077  0.10758   
1 1 1 22 9  2  o 5.04354  0.0497765 25.4388      0.5021   25.7706      0.721263 25.1269      0.699394 5.07615  0.0710443 5.01237  0.0697668 
1 1 1 22 9  3  o 18.1378  0.127102  329.111      4.61072  330.565      6.54659  327.681      6.4948   18.1741  0.180108  18.0947  0.179467  
1 1 1 22 9  4  o 12.1706  0.0890487 148.152      2.16756  148.977      3.1192   147.383      3.01426  12.2032  0.127803  12.1378  0.124168  
1 1 1 22 9  5  o 8.81711  0.0675462 77.7499      1.19113  78.0526      1.67613  77.441       1.69301  8.83378  0.0948703 8.79907  0.096204  
1 1 1 22 9  6  o 11.8185  0.0861372 139.701      2.03603  141.155      2.96885  138.411      2.79753  11.8787  0.124966  11.7628  0.118914  
1 1 1 22 9  7  o 16.0183  0.113657  256.659      3.64118  254.488      5.11547  258.889      5.18403  15.9481  0.160379  16.0853  0.161141  
1 1 1 22 9  8  o 10.4614  0.078478  109.453      1.64197  111.225      2.33396  107.717      2.31042  10.5451  0.110666  10.3774  0.11132   
1 1 1 22 9  9  o 12.3299  0.0952814 152.05       2.34962  154.211      3.37225  150.011      3.27557  12.4161  0.135801  12.246   0.133741  
1 1 1 22 9  10 o 19.8873  0.135605  395.618      5.39361  398.93       7.77586  392.547      7.48772  19.9672  0.194716  19.8071  0.189016  
1 1 1 22 9  11 o 2.54174  0.0851073 6.46113      0.432641 6.11355      0.622756 6.78537      0.601492 2.47227  0.125948  2.60462  0.115466  
1 1 1 22 9  12 o 12.4637  0.0911355 155.362      2.27176  153.824      3.19004  156.944      3.23597  12.401   0.12862   12.5262  0.129168  
1 1 1 22 9  13 o 9.10522  0.0740471 82.9119      1.34843  82.7401      1.86814  83.0987      1.94833  9.09542  0.102697  9.11505  0.106874  
1 1 1 22 9  14 o 24.5567  0.166674  603.301      8.18592  602.191      11.4357  604.468      11.7229  24.5287  0.233108  24.5745  0.238519  
1 1 1 22 9  15 o 17.6546  0.133652  311.788      4.71915  313.133      6.86365  310.581      6.49905  17.6894  0.194005  17.6177  0.184446  
1 1 1 22 9  16 o 23.1461  0.16163   536.031      7.48219  537.554      10.4894  534.452      10.6759  23.173   0.226328  23.1055  0.231025  
1 1 1 22 9  17 o 15.5033  0.114048  240.42       3.53623  241.172      4.95769  239.642      5.04544  15.5254  0.159664  15.4759  0.16301   
1 1 1 22 9  18 o 13.0375  0.10704   170.023      2.79107  170.86       3.94405  169.183      3.9503   13.0678  0.150908  13.0034  0.151895  
1 1 1 22 9  19 o 18.153   0.132925  329.69       4.82596  332.8        6.8808   326.678      6.77042  18.2339  0.188682  18.0655  0.187385  
1 1 1 22 9  20 o 6.1644   0.0931539 38.0103      1.14848  37.7938      1.60457  38.2376      1.64455  6.14602  0.130537  6.18193  0.133013  
1 1 1 22 9  21 f 1.8559   0.227871  3.45147      0.84581  2.85487      1.1762   4.09035      1.21716  1.65273  0.365572  2.01877  0.301459  
1 1 1 22 9  22 o 13.1563  0.107287  173.187      2.82301  171.768      3.94077  174.684      4.04598  13.0987  0.150426  13.2091  0.153151  
1 1 1 22 9  23 f 4.23486  0.116955  17.9487      0.990576 18.976       1.40363  16.9293      1.39816  4.35277  0.161234  4.11097  0.170052  
1 1 1 22 9  24 o 11.9999  0.100366  144.104      2.40876  146.077      3.43611  142.196      3.37765  12.0773  0.142255  11.9158  0.141729  
1 1 1 22 9  25 o 1.95385  0.21633   3.83441      0.845352 3.67735      1.16071  4.01183      1.23364  1.90934  0.303954  1.99398  0.309342  
1 1 1 22 9  26 o 4.00844  0.118471  16.0931      0.949769 16.179       1.37183  16.014       1.31625  4.01567  0.170809  3.9956   0.164712  
1 1 1 22 9  27 o 4.179    0.114749  17.4959      0.959076 18.0728      1.37394  16.9476      1.33939  4.24351  0.161887  4.10918  0.162976  
1 1 1 22 9  28 o 3.74942  0.124841  14.0939      0.936165 13.8412      1.3398   14.3349      1.30863  3.71044  0.180544  3.77682  0.173244  
1 1 1 22 9  29 o 3.10633  0.14139   9.68725      0.878406 10.382       1.24112  8.98997      1.24339  3.21036  0.193299  2.98565  0.208228  
1 1 1 22 9  30 o 2.6703   0.164378  7.17397      0.877878 6.33742      1.21094  8.10065      1.27452  2.50101  0.24209   2.83009  0.225173  
1 1 1 22 9  31 o 6.68741  0.108031  44.8665      1.44489  44.2591      2.03232  45.4874      2.05463  6.63133  0.153236  6.72284  0.15281   
1 1 1 22 9  32 o 0.927546 0.343116  0.719549     0.842898 1.21669      1.17618  0.194658     1.20856  1.14198  0.407119  0.918259 0.386452  
1 1 1 22 9  33 o 1.07832  0.374498  1.12339      0.989573 0.0582343    1.38917  2.22073      1.41     0.949115 0.407398  1.43348  0.445346  
1 1 1 22 9  34 o 2.78278  0.168037  7.8315       0.935221 9.23688      1.31848  6.40839      1.32677  3.0102   0.219001  2.49612  0.265766  
1 1 1 22 9  35 o 2.12255  0.22379   4.61934      0.950014 3.06033      1.3221   6.28364      1.36602  1.65204  0.403142  2.45927  0.277729  
1 1 1 22 9  36 o 0.971407 0.370238  0.789305     0.999778 0.530501     1.39769  1.06047      1.43069  1.01588  0.420832  1.1276   0.439712  
1 1 1 22 9  37 o 2.24277  0.227571  5.20729      1.02078  3.31052      1.40113  7.35284      1.49019  1.69152  0.416406  2.64101  0.282125  
1 1 1 22 9  38 o 0.865399 0.358465  0.373557     1.01399  -0.36867     1.44344  1.09667      1.42474  0.870957 0.392548  1.11519  0.437954  
1 1 1 22 9  39 o 1.594    0.353489  2.91008      1.09715  3.57073      1.5675   2.27556      1.53619  1.70831  0.451786  1.37787  0.467265  
1 1 1 22 9  40 o 0.955111 0.365105  0.892804     0.974606 1.69325      1.35245  0.0280977    1.40569  1.19631  0.435553  0.886665 0.393905  
1 1 1 22 9  41 o 1.56588  0.33655   2.91658      1.02371  2.26849      1.41385  3.63076      1.48419  1.31067  0.448273  1.66068  0.439812  
1 1 1 22 9  42 o 1.29703  0.378746  2.20944      1.04333  2.74382      1.45297  1.64059      1.49908  1.3709   0.454433  1.11788  0.445981  
1 1 1 22 9  43 o 0.881421 0.367435  0.809881     1.07598  -0.12965     1.51795  1.75868      1.52542  0.81475  0.380104  1.08786  0.443585  
1 1 1 22 9  44 o 0.757475 0.346149  0.148646     1.18189  0.437173     1.73088  -0.103389    1.61773  0.868334 0.405407  0.801377 0.378728  
1 1 1 22 9  45 o 0.806493 0.361446  0.885448     1.20752  0.366039     1.79614  1.31381      1.63113  0.786613 0.379733  0.869125 0.401033  
1 1 1 22 9  46 o 0.654135 0.316829  0.00508718   1.28887  1.35495      1.75989  -1.55644     1.89284  0.778533 0.375845  0.625798 0.316083  
1 1 1 22 10 0  o 7.7905   0.0870032 60.7201      1.35522  60.7201      1.35522  60.7201      1.35522  7.7914   0.0615048 ?        ?         
1 1 1 22 10 1  o 11.0042  0.0802053 121.112      1.7652   121.64       2.50468  120.592      2.48813  11.0273  0.113568  10.9797  0.113306  
1 1 1 22 10 2  o 6.43013  0.0568908 41.3498      0.731631 41.3576      1.06613  41.3428      1.00587  6.43045  0.0828967 6.42936  0.0782244 
1 1 1 22 10 3  o 18.4186  0.126277  339.376      4.6517   340.561      6.46207  338.101      6.70144  18.4474  0.175148  18.3801  0.182302  
1 1 1 22 10 4  o 17.0076  0.119909  289.358      4.07875  287.107      5.72794  291.674      5.80936  16.9384  0.169081  17.0725  0.170138  
1 1 1 22 10 5  o 9.00905  0.0723837 81.1728      1.30422  81.3153      1.82377  81.0238      1.86583  9.01641  0.101136  9.00018  0.103655  
1 1 1 22 10 6  o 7.09501  0.0626752 50.3436      0.889363 50.9881      1.25514  49.6937      1.26037  7.13997  0.0878955 7.04874  0.089404  
1 1 1 22 10 7  o 10.1311  0.079664  102.651      1.61416  102.907      2.2729   102.391      2.29277  10.143   0.112042  10.1175  0.113307  
1 1 1 22 10 8  o 12.1397  0.0914872 147.394      2.22125  147.529      3.15071  147.26       3.13201  12.1443  0.12972   12.1332  0.129067  
1 1 1 22 10 9  f 10.8128  0.0837143 116.929      1.81037  118.368      2.65679  115.682      2.47351  10.8784  0.122113  10.7544  0.115     
1 1 1 22 10 10 o 7.28442  0.0634375 53.0659      0.924211 53.577       1.36297  52.6309      1.25746  7.31915  0.09311   7.2543   0.0866698 
1 1 1 22 10 11 o 4.01713  0.0634808 16.1383      0.510022 16.7019      0.741398 15.632       0.702716 4.08655  0.0907121 3.9535   0.0888726 
1 1 1 22 10 12 o 9.94289  0.0771537 98.8698      1.53426  100.183      2.19866  97.6236      2.14199  10.0082  0.109843  9.87958  0.108405  
1 1 1 22 10 13 o 17.6396  0.120907  311.225      4.26551  310.093      6.01512  312.369      6.04972  17.6055  0.17083   17.67    0.171186  
1 1 1 22 10 14 f 11.9759  0.0875651 143.44       2.09733  143.702      2.97059  143.18       2.96159  11.986   0.123919  11.9642  0.123769  
1 1 1 22 10 15 o 8.85583  0.0797372 78.4355      1.41228  81.2834      2.01627  75.6926      1.97878  9.01462  0.111834  8.69904  0.113736  
1 1 1 22 10 16 o 12.9814  0.0997079 168.553      2.5887   169.08       3.66038  168.025      3.66157  13.0004  0.14078   12.9597  0.141268  
1 1 1 22 10 17 o 15.4579  0.117824  239.019      3.64261  237.239      5.10692  240.863      5.19713  15.3979  0.165832  15.5149  0.167488  
1 1 1 22 10 18 o 7.98503  0.0886547 63.7733      1.41582  63.9665      1.94144  63.5537      2.06921  7.99642  0.121394  7.97036  0.129807  
1 1 1 22 10 19 o 10.6511  0.0921437 113.473      1.96286  111.669      2.72897  115.407      2.82536  10.5648  0.129154  10.7401  0.131533  
1 1 1 22 10 20 o 8.85028  0.0960722 78.3517      1.70053  76.9445      2.38237  79.8135      2.42812  8.76909  0.135839  8.93107  0.135937  
1 1 1 22 10 21 o 13.7464  0.110461  189.063      3.03688  188.32       4.32158  189.788      4.2685   13.7155  0.157544  13.7691  0.155003  
1 1 1 22 10 22 o 8.72178  0.0896794 76.1015      1.56433  76.1222      2.16065  76.0787      2.26783  8.72131  0.123872  8.71846  0.130059  
1 1 1 22 10 23 o 2.79587  0.161059  7.82955      0.900599 8.21902      1.20809  7.34236      1.35117  2.86287  0.210993  2.70436  0.249813  
1 1 1 22 10 24 o 5.84934  0.0921476 34.2371      1.078    35.629       1.54477  32.9158      1.50506  5.96512  0.129483  5.73339  0.131254  
1 1 1 22 10 25 o 3.67491  0.126216  13.527       0.927665 12.6367      1.31501  14.409       1.30884  3.54863  0.185285  3.79018  0.172662  
1 1 1 22 10 26 o 1.96311  0.210355  3.87397      0.825897 5.05496      1.2227   2.88301      1.12003  2.23842  0.273118  1.65525  0.349203  
1 1 1 22 10 27 o 1.85015  0.221967  3.4472       0.821347 2.89574      1.146    4.02965      1.17777  1.65543  0.356336  1.99493  0.29519   
1 1 1 22 10 28 o 4.24844  0.112097  18.088       0.952476 19.0827      1.3771   17.1758      1.3188   4.35902  0.15796   4.13533  0.159455  
1 1 1 22 10 29 o 4.66235  0.109028  21.7896      1.01666  21.908       1.44362  21.6731      1.432    4.66941  0.154582  4.64437  0.154165  
1 1 1 22 10 30 o 1.21364  0.33019   1.56061      0.822638 1.4541       1.12008  1.68535      1.21213  1.20659  0.398994  1.28482  0.414853  
1 1 1 22 10 31 o 2.79182  0.167468  7.85672      0.935083 7.39178      1.25608  8.43472      1.40049  2.69814  0.232767  2.88023  0.243122  
1 1 1 22 10 32 o 1.54014  0.28305   2.5067       0.839265 4.17214      1.1777   0.788163     1.19632  2.01388  0.292395  1.03864  0.402689  
1 1 1 22 10 33 o 1.84733  0.253927  3.49186      0.938174 2.7333       1.35092  4.19852      1.30389  1.57507  0.420728  2.01095  0.324197  
1 1 1 22 10 34 o 1.31048  0.333694  1.86236      0.87715  2.11491      1.21277  1.58533      1.27017  1.39103  0.409036  1.24564  0.424886  
1 1 1 22 10 35 o 3.48726  0.144959  12.2924      1.01102  12.4719      1.42338  12.1097      1.43631  3.49438  0.203667  3.44148  0.208675  
1 1 1 22 10 36 o 1.56811  0.323191  2.6945       0.978948 2.84307      1.33381  2.52102      1.44131  1.57677  0.416637  1.48238  0.448221  
1 1 1 22 10 37 f 1.15861  0.378984  1.46698      1.01055  1.11715      1.4121   1.83423      1.44681  1.1234   0.437099  1.29136  0.45241   
1 1 1 22 10 38 o 2.71737  0.197145  7.6052       1.07143  8.50671      1.55013  6.78052      1.4826   2.83608  0.273287  2.52124  0.294021  
1 1 1 22 10 39 o 1.67348  0.340167  3.18663      1.09894  1.90652      1.54314  4.50389      1.56537  1.28523  0.465509  1.94459  0.414748  
1 1 1 22 10 40 o 0.668584 0.310154  -0.585575    0.992629 -0.839391    1.3615   -0.29758     1.45028  0.760983 0.356503  0.851725 0.387476  
1 1 1 22 10 41 o 0.787583 0.34541   0.125528     1.04103  2.00963      1.42201  -2.05051     1.52821  1.24029  0.447098  0.688501 0.336223  
1 1 1 22 10 42 o 0.873585 0.360559  0.689019     1.02011  1.15594      1.42668  0.200588     1.45917  1.01957  0.423938  0.874146 0.394295  
1 1 1 22 10 43 o 0.767736 0.340995  0.25788      1.05265  0.00510034   1.44345  0.545019     1.53843  0.810196 0.375142  0.89045  0.403081  
1 1 1 22 10 44 o 0.792157 0.354868  0.435445     1.16287  0.502295     1.71547  0.378612     1.58175  0.868259 0.404684  0.841388 0.390779  
1 1 1 22 10 45 o 0.751144 0.344306  0.522957     1.17935  1.54503      1.74619  -0.334279    1.59919  0.889687 0.412202  0.714219 0.347905  
1 1 1 22 11 0  o 1.6768   0.139374  2.87014      0.459975 2.87014      0.459975 2.87014      0.459975 1.68569  0.0972139 ?        ?         
1 1 1 22 11 1  f 2.92689  0.0608057 8.56742      0.355943 9.29748      0.507035 7.85805      0.499801 3.04892  0.0831499 2.80295  0.0891561 
1 1 1 22 11 2  o 8.91176  0.068986  79.4284      1.22957  80.2744      1.77512  78.6481      1.70477  8.95854  0.0990743 8.86739  0.0961257 
1 1 1 22 11 3  f 17.4914  0.129166  306.069      4.51859  306.042      6.39387  306.096      6.38665  17.4871  0.182817  17.4887  0.182594  
1 1 1 22 11 4  o 18.9312  0.142949  358.559      5.41237  356.621      7.62189  360.53       7.68703  18.8754  0.201901  18.9785  0.20252   
1 1 1 22 11 5  o 16.7165  0.125644  279.536      4.20064  281.36       6.0534   277.842      5.83387  16.7678  0.180507  16.663   0.175055  
1 1 1 22 11 6  o 7.5534   0.0707471 57.0594      1.06876  58.8995      1.6494   55.7278      1.40319  7.67371  0.107471  7.46444  0.0939915 
1 1 1 22 11 7  o 5.98545  0.0618842 35.8281      0.740809 37.6181      1.12641  34.4637      0.983414 6.13288  0.0918336 5.8702   0.0837633 
1 1 1 22 11 8  o 7.40047  0.0612543 54.7704      0.906622 54.6492      1.27607  54.8939      1.28833  7.39204  0.0863135 7.40857  0.086949  
1 1 1 22 11 9  o 11.9129  0.0894403 141.935      2.13099  143.855      3.08421  140.181      2.94776  11.9924  0.12859   11.8384  0.1245    
1 1 1 22 11 10 o 5.74718  0.0617809 33.032       0.710133 33.5256      1.03215  32.5883      0.978552 5.78979  0.0891352 5.7083   0.0857131 
1 1 1 22 11 11 o 12.9974  0.0948229 168.956      2.46491  170.391      3.55759  167.631      3.4184   13.0516  0.13629   12.9455  0.13203   
1 1 1 22 11 12 o 4.86431  0.0651479 23.6631      0.6338   22.7133      0.922095 24.5136      0.872607 4.76551  0.0967468 4.95082  0.0881275 
1 1 1 22 11 13 o 15.625   0.108409  244.188      3.3878   244.399      4.79878  243.978      4.78341  15.6303  0.153509  15.6168  0.153149  
1 1 1 22 11 14 o 17.3768  0.119817  302.032      4.16409  306.867      5.97451  297.464      5.80689  17.5129  0.170574  17.2427  0.168387  
1 1 1 22 11 15 o 6.07611  0.0699578 36.9228      0.850143 36.2325      1.18281  37.6606      1.22276  6.01875  0.0982602 6.1362   0.0996347 
1 1 1 22 11 16 o 11.1018  0.0889734 123.271      1.97553  125.941      2.87822  120.892      2.71644  11.2204  0.128258  10.9933  0.12355   
1 1 1 22 11 17 f 15.3842  0.120385  236.754      3.70407  239.562      5.27344  234.019      5.20393  15.4725  0.170413  15.2925  0.170147  
1 1 1 22 11 18 o 15.7223  0.118875  247.282      3.73798  248.673      5.11945  245.694      5.47062  15.7639  0.16238   15.6683  0.174576  
1 1 1 22 11 19 o 3.31392  0.130756  10.9877      0.866626 11.1932      1.2113   10.7722      1.2404   3.34397  0.181117  3.28033  0.189067  
1 1 1 22 11 20 o 7.77486  0.089103  60.4658      1.38553  59.7311      1.95703  61.2042      1.96184  7.72633  0.126646  7.82107  0.125421  
1 1 1 22 11 21 o 12.3843  0.109916  153.457      2.72249  157.85       3.9083   149.316      3.79457  12.5568  0.155625  12.2127  0.155354  
1 1 1 22 11 22 o 6.29187  0.0911191 39.6059      1.14662  38.7679      1.54089  40.6456      1.7164   6.22376  0.123791  6.37221  0.134679  
1 1 1 22 11 23 o 6.11577  0.0960129 37.4253      1.17439  38.9987      1.64171  35.7765      1.68064  6.24129  0.13152   5.9774   0.140583  
1 1 1 22 11 24 o 5.31735  0.0953905 28.2953      1.01445  27.9467      1.43757  28.6411      1.43175  5.28241  0.136071  5.34777  0.133864  
1 1 1 22 11 25 o 3.02356  0.142881  9.16173      0.864019 7.52666      1.21676  10.8247      1.22712  2.73635  0.222333  3.28405  0.186829  
1 1 1 22 11 26 o 3.68584  0.119766  13.6097      0.882877 13.1968      1.28191  13.9823      1.21771  3.62565  0.176784  3.73308  0.163097  
1 1 1 22 11 27 o 7.34856  0.090549  54.0669      1.33081  53.5275      1.85614  54.6376      1.90907  7.30744  0.127003  7.3825   0.129297  
1 1 1 22 11 28 o 1.1446   0.333813  1.36246      0.810955 1.56376      1.16996  1.17631      1.12508  1.25046  0.407782  1.13348  0.39877   
1 1 1 22 11 29 o 2.11802  0.194918  4.52126      0.82568  5.00804      1.12377  3.95017      1.21719  2.22332  0.252724  1.96825  0.309207  
1 1 1 22 11 30 o 1.53169  0.294513  2.47171      0.870015 1.81818      1.16953  3.2815       1.30185  1.31776  0.404832  1.74804  0.382863  
1 1 1 22 11 31 o 0.909851 0.341673  0.655618     0.842087 1.26635      1.17165  0.00305461   1.21111  1.15675  0.406941  0.885698 0.380293  
1 1 1 22 11 32 o 2.01129  0.223354  4.1151       0.898463 2.98327      1.24653  5.33884      1.29615  1.65451  0.383818  2.27866  0.284411  
1 1 1 22 11 33 o 0.976093 0.360719  0.817474     0.931148 0.41423      1.33548  1.19897      1.29897  0.995704 0.411848  1.15596  0.426266  
1 1 1 22 11 34 o 1.39797  0.318029  2.11597      0.869409 3.21345      1.22012  0.983992     1.23916  1.71295  0.366776  1.08593  0.412682  
1 1 1 22 11 35 o 1.22307  0.36591   1.63407      0.963979 2.84441      1.33112  0.299287     1.39787  1.58528  0.414992  0.978307 0.413856  
1 1 1 22 11 36 o 3.97465  0.135492  15.9754      1.07706  17.4434      1.53788  14.5622      1.50893  4.1326   0.186066  3.76973  0.200137  
1 1 1 22 11 37 o 1.53581  0.343556  2.64926      1.02865  2.64541      1.47844  2.65288      1.43212  1.4951   0.454338  1.49978  0.44545   
1 1 1 22 11 38 o 0.778338 0.337807  0.0232074    0.975054 1.18363      1.36956  -1.16955     1.38851  1.12016  0.431569  0.754614 0.35484   
1 1 1 22 11 39 o 0.946851 0.375591  0.744743     1.05766  1.52096      1.4645   -0.101463    1.5291   1.1864   0.449289  0.914151 0.40829   
1 1 1 22 11 40 f 0.859976 0.352309  0.524926     0.966762 0.205862     1.33032  0.882005     1.40734  0.891366 0.390698  1.02397  0.423116  
1 1 1 22 11 41 o 2.50953  0.228373  6.79998      1.14622  6.88219      1.54339  6.69887      1.71163  2.44391  0.315763  2.36226  0.362286  
1 1 1 22 11 42 o 0.954897 0.37055   1.04961      1.01345  1.97626      1.42704  0.106686     1.43951  1.18246  0.444638  0.855555 0.388368  
1 1 1 22 11 43 o 0.698197 0.32332   -0.204445    1.07258  -0.498       1.4965   0.105647     1.53807  0.7606   0.36172   0.830611 0.385609  
1 1 1 22 11 44 o 0.852815 0.370083  0.880876     1.16999  -0.0235764   1.72438  1.65244      1.59267  0.803704 0.384058  0.986112 0.429892  
1 1 1 22 11 45 o 0.533668 0.266834  -1.94912     1.19999  -0.414529    1.85702  -3.04932     1.57237  0.740875 0.364153  0.560973 0.283621  
1 1 1 22 12 0  o 15.2049  0.145976  231.309      4.43818  231.309      4.43818  231.309      4.43818  15.2069  0.103197  ?        ?         
1 1 1 22 12 1  o 7.87073  0.0612784 61.9538      0.964611 62.848       1.41115  61.1694      1.32158  7.92693  0.0890101 7.82043  0.0844953 
1 1 1 22 12 2  o 3.60875  0.0535847 13.0239      0.386747 13.1029      0.558949 12.9514      0.535678 3.61953  0.0772129 3.59857  0.0744292 
1 1 1 22 12 3  f 5.30084  0.0627884 28.1013      0.665662 28.5035      0.967059 27.7392      0.91766  5.33838  0.0905761 5.26636  0.0871247 
1 1 1 22 12 4  o 2.64533  0.0740431 6.99859      0.391737 7.06908      0.565254 6.93344      0.543393 2.65846  0.106312  2.63285  0.103195  
1 1 1 22 12 5  o 1.27444  0.141004  1.62482      0.359403 2.08672      0.518455 1.19752      0.498667 1.44409  0.17951   1.07243  0.23872   
1 1 1 22 12 6  o 15.2697  0.111604  233.216      3.40832  239.466      5.05942  228.023      4.61181  15.4709  0.163514  15.0972  0.152737  
1 1 1 22 12 7  o 14.0359  0.104929  197.044      2.94557  199.001      4.15171  195.06       4.17974  14.1042  0.14718   13.9637  0.149664  
1 1 1 22 12 8  o 11.9556  0.0853212 142.953      2.04014  145.578      2.90593  140.403      2.86489  12.0642  0.120436  11.8478  0.120904  
1 1 1 22 12 9  o 16.08    0.114821  258.616      3.69265  265.369      5.47473  252.981      5.00166  16.2867  0.168074  15.9024  0.157261  
1 1 1 22 12 10 o 19.9243  0.137521  397.089      5.48004  400.884      7.82466  393.436      7.67734  20.0163  0.195457  19.8296  0.193583  
1 1 1 22 12 11 o 8.45549  0.0691377 71.5003      1.16919  73.1232      1.68049  69.9778      1.62773  8.55058  0.0982674 8.36467  0.0972979 
1 1 1 22 12 12 f 14.0889  0.100018  198.527      2.81828  201.641      4.08826  195.708      3.89039  14.1978  0.143976  13.9875  0.139067  
1 1 1 22 12 13 o 21.7885  0.147109  474.915      6.41059  477.572      9.11864  472.318      9.01413  21.8452  0.20871   21.7248  0.207462  
1 1 1 22 12 14 o 15.4917  0.108106  240.047      3.3495   241.205      4.75316  238.905      4.72081  15.5272  0.153059  15.453   0.152747  
1 1 1 22 12 15 o 20.7196  0.142447  429.483      5.90291  428.508      8.24556  430.509      8.4543   20.6918  0.199247  20.7397  0.203819  
1 1 1 22 12 16 o 9.54377  0.0868393 91.0986      1.65755  94.7159      2.32059  87.3307      2.36841  9.73069  0.119241  9.34344  0.126742  
1 1 1 22 12 17 o 9.03228  0.0874313 81.5972      1.57941  80.8         2.21162  82.427       2.25629  8.98721  0.123042  9.07721  0.124283  
1 1 1 22 12 18 o 13.1939  0.121099  174.148      3.19551  171.277      4.30153  177.684      4.77351  13.0824  0.164402  13.3239  0.179134  
1 1 1 22 12 19 o 8.48105  0.0944615 71.9485      1.60227  72.237       2.23485  71.6434      2.29838  8.49691  0.131509  8.46178  0.13581   
1 1 1 22 12 20 o 7.3413   0.0979817 53.9152      1.43863  56.3657      2.01929  51.3893      2.05011  7.505    0.13453   7.16571  0.14305   
1 1 1 22 12 21 o 7.13606  0.0941208 50.9454      1.3433   51.3157      1.81253  50.4943      2.00084  7.16069  0.126561  7.10248  0.140855  
1 1 1 22 12 22 o 8.71792  0.0892369 76.0375      1.55592  76.6543      2.19519  75.4147      2.20565  8.75123  0.125422  8.68008  0.127053  
1 1 1 22 12 23 o 10.0008  0.0939777 100.078      1.87971  100.071      2.62986  100.085      2.68769  9.99742  0.131527  9.99786  0.134413  
1 1 1 22 12 24 o 5.90401  0.0914988 34.8834      1.08042  34.0344      1.47328  35.8713      1.58919  5.82974  0.126359  5.98454  0.132774  
1 1 1 22 12 25 o 8.84721  0.0889562 78.3412      1.57403  77.7456      2.24853  78.9136      2.20416  8.80947  0.12762   8.87582  0.124167  
1 1 1 22 12 26 o 5.61686  0.0940095 31.5861      1.05608  29.8982      1.5097   33.2035      1.47784  5.46102  0.138225  5.75596  0.128375  
1 1 1 22 12 27 o 3.12921  0.13691   9.82032      0.856841 10.1454      1.19533  9.47678      1.22888  3.17641  0.188157  3.06884  0.200219  
1 1 1 22 12 28 o 3.01908  0.143317  9.14971      0.86537  8.60247      1.22318  9.69809      1.22446  2.92107  0.209372  3.10292  0.197307  
1 1 1 22 12 29 o 2.19321  0.191268  4.84756      0.838979 5.32353      1.17963  4.36036      1.19348  2.29132  0.257413  2.07009  0.288268  
1 1 1 22 12 30 o 3.64311  0.138813  13.3384      1.01142  15.0337      1.36102  11.2475      1.51152  3.86193  0.17621   3.33174  0.226837  
1 1 1 22 12 31 o 5.83354  0.0995012 34.1324      1.16089  36.0073      1.65824  32.3303      1.62573  5.98323  0.138574  5.66834  0.143404  
1 1 1 22 12 32 o 4.25126  0.125152  18.1756      1.06411  18.202       1.50296  18.1491      1.5068   4.24227  0.177142  4.23591  0.17786   
1 1 1 22 12 33 o 5.26408  0.111959  27.8458      1.17872  29.0247      1.71117  26.7812      1.62603  5.36091  0.159597  5.15011  0.157863  
1 1 1 22 12 34 o 0.95702  0.352212  0.810912     0.886466 1.48914      1.25507  0.135737     1.25224  1.21119  0.421648  0.910746 0.388723  
1 1 1 22 12 35 o 3.91407  0.14124   15.4915      1.10565  14.9749      1.52161  16.0695      1.60932  3.82731  0.198783  3.96286  0.203051  
1 1 1 22 12 36 o 3.11422  0.165387  9.86504      1.03011  9.37173      1.40997  10.4298      1.5086   3.00935  0.234266  3.1731   0.237717  
1 1 1 22 12 37 o 1.98947  0.257678  4.15479      1.02528  4.50184      1.47304  3.82866      1.42796  1.99058  0.383696  1.82069  0.402863  
1 1 1 22 12 38 o 1.23008  0.368541  1.72935      0.97741  2.00671      1.36238  1.43517      1.40305  1.31327  0.440038  1.17713  0.44123   
1 1 1 22 12 39 o 1.13365  0.384801  1.46812      1.04181  1.56126      1.38023  1.34479      1.58827  1.18169  0.438677  1.15743  0.459903  
1 1 1 22 12 40 o 1.01559  0.370604  1.12787      0.979658 2.15491      1.37917  0.081913     1.39181  1.30142  0.442741  0.885446 0.392836  
1 1 1 22 12 41 o 1.78063  0.317928  3.7422       1.09144  3.3596       1.48346  4.19371      1.61155  1.55876  0.450484  1.74425  0.456623  
1 1 1 22 12 42 o 1.61965  0.331663  3.24126      1.03733  3.87329      1.45944  2.59595      1.47468  1.65601  0.435011  1.31644  0.45717   
1 1 1 22 12 43 o 1.61912  0.351416  3.53398      1.10604  2.71824      1.5638   4.35049      1.56454  1.23804  0.465474  1.63424  0.459556  
1 1 1 22 12 44 o 0.738439 0.341636  0.222956     1.19395  -0.731087    1.70878  1.133        1.66891  0.727983 0.355511  0.891359 0.408997  
1 1 1 22 12 45 o 0.763496 0.347831  0.602264     1.17779  -0.235208    1.66482  1.44141      1.66648  0.730526 0.355692  0.882327 0.406451  
1 1 1 22 13 0  o 5.01013  0.076571  25.1206      0.766858 25.1206      0.766858 25.1206      0.766858 5.01109  0.0541193 ?        ?         
1 1 1 22 13 1  o 29.7967  0.200065  888.584      11.9225  885.668      16.6345  891.663      17.0971  29.7355  0.279708  29.8347  0.286529  
1 1 1 22 13 2  o 4.11889  0.0574832 16.9664      0.473534 17.2916      0.644595 16.5851      0.697937 4.15805  0.0775116 4.07218  0.0856958 
1 1 1 22 13 3  o 16.8699  0.120613  284.675      4.06947  280.874      5.75358  288.48       5.75661  16.7544  0.171704  16.9798  0.169513  
1 1 1 22 13 4  o 6.94949  0.0601842 48.2986      0.836499 48.1844      1.18104  48.4137      1.18495  6.94102  0.0850769 6.95751  0.0851558 
1 1 1 22 13 5  o 4.48073  0.0565537 20.0781      0.506804 20.574       0.72257  19.5979      0.711026 4.5356   0.0796554 4.42669  0.0803113 
1 1 1 22 13 6  o 9.34657  0.0754898 87.3666      1.41114  89.7913      2.07088  85.2647      1.92808  9.47487  0.109283  9.23304  0.104412  
1 1 1 22 13 7  o 9.92416  0.0827296 98.4995      1.64204  101.095      2.38182  96.1484      2.26685  10.0535  0.118457  9.8045   0.115602  
1 1 1 22 13 8  o 12.8447  0.0962441 165.009      2.47246  169.592      3.68701  161.264      3.33291  13.0208  0.141581  12.6974  0.131244  
1 1 1 22 13 9  o 12.2321  0.0915059 149.643      2.23862  147.689      3.17593  151.572      3.15594  12.1512  0.130684  12.31    0.128187  
1 1 1 22 13 10 o 19.8462  0.13551   393.98       5.37873  391.859      7.49313  396.234      7.72555  19.79    0.189316  19.8999  0.19411   
1 1 1 22 13 11 o 16.3705  0.112382  268.044      3.67951  267.482      5.19397  268.609      5.21332  16.3517  0.15882   16.3861  0.159077  
1 1 1 22 13 12 o 17.6572  0.121034  311.85       4.27424  312.783      6.06826  310.932      6.02139  17.6814  0.1716    17.629   0.17078   
1 1 1 22 13 13 o 11.3744  0.0851646 129.394      1.93739  128.93       2.76195  129.843      2.71833  11.3532  0.121638  11.3934  0.119294  
1 1 1 22 13 14 o 5.11349  0.0696414 26.1504      0.712222 25.3156      1.00573  26.9903      1.00874  5.03094  0.0999544 5.19471  0.0970934 
1 1 1 22 13 15 o 12.2904  0.0909018 151.081      2.23444  154.227      3.2116   148.13       3.11077  12.4166  0.129327  12.1687  0.127818  
1 1 1 22 13 16 o 7.65253  0.0804201 58.5699      1.23084  59.746       1.74882  57.4155      1.73262  7.72842  0.113142  7.57616  0.114347  
1 1 1 22 13 17 o 3.46955  0.107539  12.0413      0.746224 11.6281      1.05325  12.4578      1.0574   3.40895  0.154483  3.52854  0.149835  
1 1 1 22 13 18 o 9.06803  0.0864509 82.247       1.56788  81.8349      2.21542  82.6605      2.21921  9.04428  0.122476  9.0898   0.122071  
1 1 1 22 13 19 o 13.5007  0.126064  182.367      3.40391  184.432      4.91095  180.458      4.7223   13.573   0.180909  13.4264  0.175859  
1 1 1 22 13 20 o 11.2135  0.0973549 125.795      2.18338  127.757      3.15158  123.985      3.02769  11.2981  0.139474  11.1303  0.136011  
1 1 1 22 13 21 o 16.4884  0.132073  272.114      4.35534  270.839      6.04157  273.493      6.28438  16.4428  0.183715  16.5221  0.19018   
1 1 1 22 13 22 o 7.30433  0.0869659 53.378       1.27045  52.7131      1.751    54.1173      1.84616  7.2571   0.120641  7.35285  0.12554   
1 1 1 22 13 23 o 6.44276  0.0891362 41.5338      1.14857  41.8089      1.56819  41.2155      1.68694  6.46238  0.121332  6.41573  0.131469  
1 1 1 22 13 24 o 6.89651  0.0905413 47.6         1.24884  47.599       1.74225  47.601       1.79101  6.89385  0.126362  6.8937   0.129902  
1 1 1 22 13 25 o 4.30291  0.110235  18.5407      0.948658 17.819       1.33322  19.2809      1.35015  4.21521  0.158144  4.38505  0.15395   
1 1 1 22 13 26 o 6.33314  0.0917873 40.1556      1.1626   39.8566      1.62148  40.4719      1.66784  6.30596  0.128567  6.35414  0.13124   
1 1 1 22 13 27 o 1.62571  0.237174  2.66711      0.771152 3.40951      1.08822  1.91825      1.09294  1.83328  0.296797  1.35111  0.385445  
1 1 1 22 13 28 o 10.4007  0.0964364 108.37       2.00601  109.546      2.80315  107.136      2.87194  10.4481  0.134146  10.3313  0.138993  
1 1 1 22 13 29 o 6.39392  0.0958047 40.9657      1.22514  40.1766      1.72927  41.7609      1.73596  6.32545  0.136691  6.44936  0.134584  
1 1 1 22 13 30 f 3.07545  0.153372  9.51924      0.943379 8.7528       1.32361  10.3106      1.34493  2.93839  0.225227  3.19187  0.21068   
1 1 1 22 13 31 o 4.84632  0.107299  23.5715      1.04001  24.6254      1.479    22.5407      1.46273  4.94498  0.149546  4.72989  0.154627  
1 1 1 22 13 32 o 5.1208   0.116224  26.3499      1.19032  24.5635      1.64664  28.3052      1.72268  4.93132  0.166957  5.29495  0.162672  
1 1 1 22 13 33 o 2.18057  0.206295  4.83528      0.899683 5.23131      1.27903  4.44742      1.26576  2.25129  0.284065  2.0707   0.305637  
1 1 1 22 13 34 o 0.881334 0.34436   0.55444      0.878365 1.00779      1.2657   0.133267     1.21996  1.0919   0.416455  0.898578 0.383609  
1 1 1 22 13 35 o 1.19422  0.368185  1.55617      0.966212 0.693505     1.29414  2.64268      1.45237  1.02246  0.411772  1.51871  0.447953  
1 1 1 22 13 36 o 2.69506  0.191654  7.43654      1.03304  7.97648      1.40819  6.80738      1.52008  2.76635  0.254521  2.53577  0.299728  
1 1 1 22 13 37 f 0.614702 0.291146  -1.00965     0.960764 -0.642862    1.38424  -1.35058     1.33457  0.817833 0.374098  0.720071 0.34204   
1 1 1 22 13 38 o 1.01436  0.369798  1.03442      0.975199 0.253643     1.36478  1.84896      1.39397  0.934133 0.402454  1.27096  0.444185  
1 1 1 22 13 39 o 3.08143  0.177862  9.82717      1.09614  10.7757      1.49029  8.70923      1.61791  3.1875   0.233771  2.82555  0.286299  
1 1 1 22 13 40 o 0.769677 0.338352  0.0447603    1.00375  1.68817      1.44653  -1.48139     1.39397  1.1853   0.447212  0.702507 0.337996  
1 1 1 22 13 41 o 0.964603 0.381469  0.991929     1.08796  2.131        1.4819   -0.339844    1.60236  1.23931  0.455459  0.850541 0.39437   
1 1 1 22 13 42 o 0.861781 0.358539  0.672029     1.02139  -0.861553    1.40144  2.40953      1.4917   0.729979 0.348207  1.25998  0.457555  
1 1 1 22 13 43 o 1.35254  0.394265  2.73314      1.13154  3.05229      1.51882  2.33502      1.69632  1.3129   0.463178  1.13525  0.466147  
1 1 1 22 13 44 o 0.951244 0.386445  1.55873      1.15343  0.707999     1.69057  2.29962      1.57766  0.833898 0.391952  1.03971  0.43974   
1 1 1 22 13 45 o 0.593268 0.290225  -0.847954    1.15187  -1.2812      1.64216  -0.428329    1.61614  0.650757 0.323564  0.700557 0.342958  
1 1 1 22 14 0  o 7.94413  0.0930001 63.1402      1.47715  63.1402      1.47715  63.1402      1.47715  7.9451   0.0657428 ?        ?         
1 1 1 22 14 1  o 17.3564  0.122421  301.33       4.24959  299.054      5.96642  303.673      6.05421  17.2883  0.172557  17.4212  0.17376   
1 1 1 22 14 2  o 20.8843  0.142882  436.316      5.96796  440.009      8.70053  433.035      8.20151  20.968   0.207472  20.802   0.197133  
1 1 1 22 14 3  f 11.5469  0.0859895 133.348      1.98582  133.624      2.84768  133.087      2.77066  11.558   0.123191  11.5348  0.1201    
1 1 1 22 14 4  o 11.1612  0.083844  124.587      1.8716   122.333      2.63679  126.877      2.65701  11.0591  0.119214  11.2626  0.117957  
1 1 1 22 14 5  o 16.7754  0.120203  281.482      4.0329   281.022      5.76616  281.922      5.64262  16.7596  0.172025  16.7866  0.168069  
1 1 1 22 14 6  o 20.1901  0.148772  407.78       6.00745  407.963      8.50279  407.597      8.48886  20.1911  0.210558  20.182   0.210307  
1 1 1 22 14 7  o 25.0217  0.183416  626.393      9.17876  620.23       12.8605  632.791      13.1044  24.8921  0.258324  25.1427  0.260602  
1 1 1 22 14 8  o 29.7145  0.209168  883.519      12.4307  883.565      17.8109  883.474      17.3571  29.7048  0.299798  29.7043  0.292165  
1 1 1 22 14 9  o 11.326   0.08335   128.29       1.88804  131.146      2.72107  125.639      2.62187  11.4507  0.118817  11.2077  0.116967  
1 1 1 22 14 10 o 9.49403  0.0877114 90.1469      1.66547  91.8367      2.43768  88.6676      2.28079  9.58196  0.127202  9.41529  0.121122  
1 1 1 22 14 11 o 15.976   0.11005   255.281      3.51632  254.672      4.96367  255.895      4.98203  15.9554  0.155549  15.9936  0.15575   
1 1 1 22 14 12 o 15.7919  0.111727  249.437      3.52877  249.227      4.88462  249.667      5.10343  15.7836  0.154737  15.7972  0.161529  
1 1 1 22 14 13 o 6.73203  0.0657176 45.3241      0.884826 46.2399      1.2617   44.4379      1.24121  6.79942  0.0927803 6.6656   0.0931059 
1 1 1 22 14 14 o 8.7662   0.075532  76.8555      1.32426  76.4112      1.85569  77.3166      1.89035  8.74032  0.106157  8.79192  0.107505  
1 1 1 22 14 15 o 3.79184  0.0872404 14.3805      0.661604 14.8681      0.953776 13.9282      0.918517 3.85526  0.123698  3.73144  0.123078  
1 1 1 22 14 16 o 8.00083  0.0840785 64.0242      1.3454   64.3334      1.93229  63.7333      1.87439  8.0194   0.120476  7.98198  0.117414  
1 1 1 22 14 17 o 6.19679  0.0897615 38.4086      1.11247  36.0797      1.66458  40.2883      1.49549  6.00506  0.138598  6.34611  0.117828  
1 1 1 22 14 18 o 3.79433  0.119798  14.4033      0.909104 14.5483      1.23657  14.2327      1.34112  3.81268  0.162166  3.7708   0.17783   
1 1 1 22 14 19 o 3.65356  0.122548  13.356       0.895474 13.0993      1.27077  13.6091      1.26205  3.61721  0.175657  3.68703  0.171148  
1 1 1 22 14 20 f 2.51757  0.155884  6.34532      0.7849   6.19679      1.12354  6.48691      1.09697  2.48637  0.22594   2.54417  0.215585  
1 1 1 22 14 21 o 6.29226  0.0940964 39.612       1.18416  37.6015      1.56852  42.2766      1.80573  6.12924  0.127954  6.49859  0.138932  
1 1 1 22 14 22 f 5.41023  0.0918522 29.2868      0.993883 28.9653      1.35622  29.6596      1.46071  5.37911  0.126064  5.44281  0.134188  
1 1 1 22 14 23 o 7.2257   0.0897068 52.2446      1.29639  52.7969      1.7564   51.5836      1.92143  7.26182  0.120934  7.17694  0.133861  
1 1 1 22 14 24 o 8.48171  0.0898347 72.0001      1.5239   72.9215      2.23211  71.1956      2.0856   8.53183  0.130811  8.43106  0.123685  
1 1 1 22 14 25 o 4.24375  0.108123  18.0349      0.917698 16.9803      1.24504  19.2895      1.35793  4.11499  0.151282  4.38559  0.154817  
1 1 1 22 14 26 o 6.07477  0.0906279 36.9466      1.10109  35.2709      1.50415  38.8812      1.61622  5.932    0.126783  6.22786  0.129757  
1 1 1 22 14 27 o 1.73436  0.220977  3.03329      0.76651  2.71724      1.05949  3.38038      1.11031  1.60266  0.340766  1.79651  0.320552  
1 1 1 22 14 28 o 2.51324  0.161109  6.34942      0.80981  6.31532      1.12479  6.38612      1.16685  2.50037  0.224926  2.51352  0.232115  
1 1 1 22 14 29 o 4.38233  0.110906  19.2599      0.97205  18.4683      1.36781  20.0676      1.38167  4.2848   0.159612  4.46727  0.154643  
1 1 1 22 14 30 o 2.3818   0.181491  5.72586      0.864553 5.55149      1.19881  5.91484      1.248    2.33466  0.256742  2.40947  0.258977  
1 1 1 22 14 31 o 6.92236  0.100923  48.0777      1.39725  48.2071      1.93255  47.936       2.02255  6.92092  0.139616  6.89919  0.146579  
1 1 1 22 14 32 o 4.26493  0.127506  18.2954      1.08761  16.8199      1.51185  19.8781      1.5658   4.07596  0.185459  4.43358  0.176585  
1 1 1 22 14 33 o 2.00873  0.216321  4.11077      0.869061 4.30488      1.24899  3.92859      1.21001  2.0364   0.306665  1.94431  0.311167  
1 1 1 22 14 34 o 1.79264  0.253906  3.31837      0.910325 2.23633      1.33053  4.27065      1.2482   1.4167   0.43111   2.01838  0.309209  
1 1 1 22 14 35 o 0.956452 0.358696  0.79639      0.927486 0.0643158    1.23946  1.72794      1.39816  0.886527 0.382755  1.27609  0.44496   
1 1 1 22 14 36 o 2.38462  0.210434  5.85578      1.00361  5.90457      1.37573  5.80027      1.46734  2.36347  0.291039  2.33192  0.314619  
1 1 1 22 14 37 o 1.40442  0.348085  2.23214      0.974031 3.05906      1.4291   1.51475      1.33109  1.60719  0.434285  1.19704  0.432465  
1 1 1 22 14 38 o 4.27851  0.134536  18.598       1.15123  20.0894      1.62294  17.0875      1.63328  4.41671  0.183728  4.06178  0.201055  
1 1 1 22 14 39 o 3.30141  0.167403  11.2519      1.10533  11.4131      1.49863  11.0596      1.63684  3.28079  0.228394  3.207    0.255198  
1 1 1 22 14 40 o 1.92667  0.26922   4.07526      1.0374   4.41297      1.47371  3.74354      1.46058  1.88085  0.403413  1.70453  0.428557  
1 1 1 22 14 41 o 0.840253 0.35665   0.484447     1.04385  0.549376     1.44575  0.41374      1.5087   0.927935 0.407007  0.918354 0.408021  
1 1 1 22 14 42 o 0.68408  0.317918  -0.364561    1.049    -0.855112    1.39639  0.270876     1.58929  0.722588 0.34537   0.883114 0.402789  
1 1 1 22 14 43 o 0.866832 0.366645  0.860966     1.09688  2.2442       1.50249  -0.717503    1.60503  1.13501  0.448471  0.749551 0.361132  
1 1 1 22 14 44 o 0.86203  0.368892  1.15232      1.13292  0.76539      1.64797  1.49906      1.56003  0.826094 0.387939  0.908514 0.40886   
1 1 1 22 14 45 o 0.723026 0.33654   0.508533     1.18134  -0.0535353   1.67709  1.06207      1.66432  0.712798 0.349048  0.798961 0.380674  
1 1 1 22 15 0  o 41.3836  0.397401  1715.38      32.8849  1715.38      32.8849  1715.38      32.8849  41.4001  0.280864  ?        ?         
1 1 1 22 15 1  o 14.4783  0.101263  209.657      2.93223  208.364      4.1205   210.984      4.17362  14.4323  0.142753  14.5227  0.143693  
1 1 1 22 15 2  o 10.7224  0.0789087 114.981      1.69218  114.137      2.35069  115.889      2.4379   10.6824  0.110026  10.764   0.113243  
1 1 1 22 15 3  o 19.8565  0.142526  394.41       5.66012  394.051      7.99781  394.77       8.01145  19.8441  0.201517  19.8621  0.201676  
1 1 1 22 15 4  o 8.17843  0.0693603 66.8917      1.13452  66.2802      1.6191   67.4817      1.59019  8.14062  0.0994457 8.21411  0.0967962 
1 1 1 22 15 5  o 33.3922  0.237462  1115.98      15.8587  1109.04      22.3025  1123.09      22.5549  33.2737  0.335138  33.4834  0.336807  
1 1 1 22 15 6  o 17.82    0.130479  317.63       4.65028  315.457      6.4582   319.969      6.70152  17.7567  0.181852  17.883   0.187371  
1 1 1 22 15 7  o 19.6392  0.143315  385.814      5.62917  387.841      7.90257  383.727      8.02043  19.6877  0.200698  19.5828  0.204783  
1 1 1 22 15 8  o 26.1211  0.180063  682.638      9.4069   681.139      13.4307  684.081      13.1796  26.0856  0.257435  26.1424  0.252074  
1 1 1 22 15 9  o 16.7998  0.117012  282.29       3.93155  279.687      5.51529  284.979      5.60593  16.7204  0.164927  16.8778  0.166074  
1 1 1 22 15 10 o 8.78824  0.0762468 77.2399      1.34015  77.2815      1.93777  77.2018      1.85543  8.79016  0.110224  8.78569  0.105594  
1 1 1 22 15 11 o 15.3866  0.106646  236.791      3.28183  234.884      4.61305  238.746      4.6699   15.323   0.150527  15.4484  0.151145  
1 1 1 22 15 12 o 14.4138  0.101294  207.797      2.92008  209.28       4.15463  206.35       4.10504  14.4637  0.143623  14.3621  0.142912  
1 1 1 22 15 13 f 12.7951  0.0924081 163.743      2.36474  161.328      3.30586  166.273      3.38399  12.6993  0.13016   12.8924  0.13124   
1 1 1 22 15 14 o 9.3709   0.0772743 87.825       1.44826  88.6713      2.03291  86.9529      2.06374  9.41536  0.107957  9.32363  0.110673  
1 1 1 22 15 15 o 4.41423  0.0820938 19.4884      0.724762 18.7961      0.993068 20.2775      1.06015  4.33479  0.114546  4.50234  0.117734  
1 1 1 22 15 16 o 17.129   0.13121   293.531      4.495    295.334      6.37805  291.752      6.33594  17.1777  0.185649  17.0732  0.185552  
1 1 1 22 15 17 o 17.084   0.128675  292.001      4.39655  292.95       6.24378  291.068      6.19188  17.1076  0.182486  17.0526  0.181552  
1 1 1 22 15 18 o 13.0183  0.110666  169.544      2.88137  170.585      4.19375  168.613      3.96556  13.0553  0.160615  12.9801  0.152755  
1 1 1 22 15 19 o 8.19336  0.0884257 67.1528      1.44901  68.9353      2.03284  65.3118      2.06598  8.30014  0.122458  8.07882  0.127864  
1 1 1 22 15 20 o 5.30462  0.0887287 28.15        0.941344 27.4791      1.31842  28.8478      1.34448  5.23999  0.125804  5.36892  0.12521   
1 1 1 22 15 21 o 5.28934  0.0972673 27.9927      1.02896  28.3518      1.39591  27.5654      1.52268  5.32195  0.131146  5.24702  0.1451    
1 1 1 22 15 22 o 6.75505  0.0849598 45.6538      1.14782  46.1376      1.59881  45.1392      1.64886  6.78913  0.117748  6.71498  0.122775  
1 1 1 22 15 23 o 8.07694  0.0949336 65.2889      1.53355  64.3295      2.08927  66.4096      2.25808  8.01454  0.130342  8.14227  0.138664  
1 1 1 22 15 24 f 2.89704  0.136963  8.40998      0.793576 8.53345      1.09207  8.27184      1.15516  2.91566  0.187276  2.86977  0.201264  
1 1 1 22 15 25 o 4.2272   0.104037  17.8942      0.879567 18.2859      1.24275  17.5011      1.24504  4.27036  0.145509  4.17743  0.14902   
1 1 1 22 15 26 o 7.29251  0.0886578 53.2437      1.29308  51.834       1.74769  54.9488      1.9221   7.1915   0.121511  7.40325  0.129814  
1 1 1 22 15 27 o 3.28007  0.124469  10.789       0.816533 10.0502      1.14671  11.549       1.16296  3.16077  0.181398  3.38934  0.171562  
1 1 1 22 15 28 o 5.5401   0.0960697 30.7515      1.06447  32.0454      1.51148  29.4783      1.49937  5.65045  0.133749  5.4187   0.138352  
1 1 1 22 15 29 o 1.75883  0.244176  3.13885      0.858929 4.15449      1.1968   2.06005      1.23345  2.01658  0.296741  1.394    0.413269  
1 1 1 22 15 30 o 1.41185  0.292319  2.11501      0.797548 2.54876      1.11047  1.65291      1.14618  1.53723  0.365957  1.26246  0.402987  
1 1 1 22 15 31 o 4.94495  0.116459  24.5658      1.15177  25.4025      1.61347  23.6964      1.64467  5.01777  0.160776  4.84388  0.169768  
1 1 1 22 15 32 o 1.69977  0.253419  2.95744      0.861509 1.87481      1.17988  4.19379      1.26086  1.32248  0.406688  2.0116   0.313398  
1 1 1 22 15 33 o 2.32297  0.185339  5.47386      0.861074 5.63992      1.21856  5.30824      1.21693  2.34157  0.260202  2.26973  0.268077  
1 1 1 22 15 34 o 4.90914  0.119238  24.2778      1.17071  25.1468      1.70678  23.5056      1.60884  4.97667  0.171479  4.81335  0.167122  
1 1 1 22 15 35 o 0.923236 0.35411   0.688289     0.919317 1.07695      1.27444  0.266667     1.32739  1.09993  0.418366  0.947274 0.402135  
1 1 1 22 15 36 o 3.61086  0.155023  13.2598      1.11953  12.5236      1.55282  14.0567      1.61556  3.47824  0.223219  3.6873   0.219072  
1 1 1 22 15 37 o 0.867902 0.351291  0.473841     0.948588 0.407167     1.35525  0.537878     1.32817  0.96659  0.408128  0.984015 0.40909   
1 1 1 22 15 38 o 1.07148  0.370147  1.2456       0.965618 2.20106      1.34597  0.232336     1.38609  1.35617  0.437084  0.932744 0.403762  
1 1 1 22 15 39 o 1.99203  0.255024  4.27844      1.01603  4.39995      1.38416  4.13648      1.49614  1.92355  0.373108  1.82546  0.418513  
1 1 1 22 15 40 o 2.69233  0.20382   7.67755      1.0975   7.98768      1.58197  7.38979      1.52386  2.66405  0.296909  2.56193  0.297405  
1 1 1 22 15 41 o 2.26575  0.238632  5.67049      1.08136  6.50502      1.5157   4.80538      1.54322  2.33484  0.324584  1.88945  0.419425  
1 1 1 22 15 42 o 1.45708  0.378718  2.91969      1.11362  2.26933      1.51812  3.67733      1.63855  1.18884  0.45532   1.48533  0.482582  
1 1 1 22 15 43 o 0.974258 0.382558  1.37831      1.08698  2.05649      1.52509  0.678114     1.54964  1.08841  0.443628  0.878766 0.399979  
1 1 1 22 15 44 o 0.850317 0.364804  1.13906      1.11288  1.73255      1.63598  0.627883     1.5183   0.921855 0.416566  0.794367 0.372917  
1 1 1 22 15 45 o 0.535936 0.267857  -1.4529      1.19914  -2.29763     1.76612  -0.730413    1.63333  0.584303 0.296448  0.640092 0.318873  
1 1 1 22 16 0  o 13.9715  0.138952  195.29       3.88185  195.29       3.88185  195.29       3.88185  13.973   0.0982317 ?        ?         
1 1 1 22 16 1  f 8.77069  0.0728001 76.9314      1.27701  78.0152      1.82334  75.888       1.78909  8.83187  0.103225  8.71064  0.102695  
1 1 1 22 16 2  o 19.4174  0.130624  377.132      5.07276  379.509      7.20745  374.8        7.14093  19.4758  0.185036  19.3546  0.184477  
1 1 1 22 16 3  o 14.9714  0.107059  224.181      3.20563  225.689      4.56154  222.709      4.50585  15.0203  0.151846  14.9208  0.150992  
1 1 1 22 16 4  o 8.74239  0.0713513 76.435       1.24756  77.064       1.81889  75.8761      1.71438  8.77791  0.103606  8.71006  0.0984139 
1 1 1 22 16 5  o 15.5866  0.111382  242.988      3.47215  238.911      4.83642  247.323      4.98781  15.4539  0.156479  15.7236  0.15861   
1 1 1 22 16 6  o 24.0417  0.171868  578.254      8.26401  574.373      11.6126  582.237      11.763   23.9555  0.242379  24.1188  0.243855  
1 1 1 22 16 7  o 15.4208  0.113409  237.847      3.49772  236.895      4.93411  238.809      4.95903  15.3884  0.160319  15.4504  0.160482  
1 1 1 22 16 8  o 6.62734  0.0671929 43.9246      0.890622 43.9593      1.26298  43.8904      1.2561   6.62972  0.0952518 6.62453  0.0948069 
1 1 1 22 16 9  o 22.7711  0.154488  518.709      7.03571  520.663      9.88562  516.703      10.0156  22.8098  0.216697  22.7226  0.22039   
1 1 1 22 16 10 o 10.0655  0.0926178 101.328      1.86448  101.587      2.66622  101.08       2.60828  10.0775  0.132285  10.0524  0.129734  
1 1 1 22 16 11 o 21.5382  0.14512   464.071      6.25126  468.944      8.92848  459.385      8.7553   21.6467  0.206232  21.4251  0.204324  
1 1 1 22 16 12 o 16.2258  0.112163  263.345      3.63988  267.077      5.21486  259.799      5.08281  16.3383  0.15959   16.1142  0.157712  
1 1 1 22 16 13 o 16.351   0.117438  267.433      3.84046  263.024      5.4128   271.902      5.44983  16.2132  0.166925  16.4847  0.1653    
1 1 1 22 16 14 o 11.9992  0.0950711 144.009      2.28155  141.138      3.1739   147.079      3.28202  11.8778  0.133606  12.1252  0.135339  
1 1 1 22 16 15 o 11.4808  0.0960845 131.838      2.20625  133.274      3.04767  130.257      3.19798  11.542   0.132025  11.4103  0.140136  
1 1 1 22 16 16 o 10.47    0.0894843 109.644      1.87379  108.772      2.67618  110.482      2.62447  10.427   0.128329  10.5088  0.12487   
1 1 1 22 16 17 o 6.2663   0.0830625 39.2747      1.04099  40.6357      1.55166  38.1609      1.40378  6.37317  0.121734  6.17623  0.113644  
1 1 1 22 16 18 o 2.35021  0.170059  5.52927      0.799349 6.01402      1.14567  5.06946      1.11582  2.44992  0.233818  2.24904  0.248066  
1 1 1 22 16 19 o 7.79641  0.0869281 60.8047      1.35545  62.9813      1.94091  58.7325      1.89377  7.93337  0.122325  7.66105  0.123597  
1 1 1 22 16 20 f 4.62801  0.100026  21.43        0.925847 21.0838      1.32254  21.7627      1.29654  4.58918  0.144093  4.66265  0.139035  
1 1 1 22 16 21 o 8.72837  0.092897  76.2256      1.62168  76.5574      2.29408  75.8941      2.29272  8.74495  0.131166  8.70695  0.131661  
1 1 1 22 16 22 o 4.26494  0.104919  18.2048      0.894949 18.5019      1.15975  17.7674      1.40711  4.2984   0.134905  4.21065  0.167089  
1 1 1 22 16 23 o 5.40436  0.0953383 29.233       1.03048  30.5858      1.42229  27.7383      1.49508  5.52599  0.128691  5.26155  0.142076  
1 1 1 22 16 24 o 1.20824  0.306785  1.53256      0.742966 0.927024     1.00579  2.25979      1.10224  1.04305  0.376014  1.46372  0.374873  
1 1 1 22 16 25 o 5.70286  0.0908921 32.5596      1.03669  33.1524      1.45542  31.9491      1.47702  5.75148  0.126526  5.64571  0.130809  
1 1 1 22 16 26 o 6.3805   0.0888717 40.7619      1.13409  40.0597      1.56937  41.5295      1.64071  6.32144  0.12413   6.43593  0.127465  
1 1 1 22 16 27 o 2.85952  0.137028  8.20604      0.78367  7.7103       1.1064   8.70514      1.11016  2.76624  0.199983  2.9405   0.188771  
1 1 1 22 16 28 o 1.98996  0.19796   3.99338      0.787862 4.114        1.09322  3.86303      1.13645  2.01247  0.271611  1.9478   0.291726  
1 1 1 22 16 29 o 4.50511  0.114658  20.3657      1.03309  19.7597      1.46488  20.9653      1.45717  4.42949  0.165356  4.56371  0.159648  
1 1 1 22 16 30 o 0.623761 0.28355   -0.4429      0.773371 -0.141476    1.06109  -0.784472    1.12954  0.803996 0.350691  0.730112 0.335624  
1 1 1 22 16 31 o 3.55224  0.141476  12.7094      1.00511  14.738       1.42249  10.6868      1.42039  3.81508  0.18643   3.24102  0.219127  
1 1 1 22 16 32 o 2.57059  0.174782  6.68575      0.898587 6.56492      1.27973  6.80326      1.26204  2.53116  0.252796  2.57865  0.244709  
1 1 1 22 16 33 o 0.690344 0.30377   -0.159444    0.810651 -0.709126    1.12791  0.427881     1.1659   0.732978 0.336286  0.941699 0.386527  
1 1 1 22 16 34 o 1.13137  0.365011  1.36145      0.93851  0.740884     1.34626  1.94815      1.30903  1.04733  0.420728  1.33125  0.431242  
1 1 1 22 16 35 f 3.26984  0.152208  10.8447      0.995394 11.297       1.39181  10.3712      1.42415  3.31592  0.209867  3.17101  0.224558  
1 1 1 22 16 36 o 1.29726  0.365457  1.90943      0.988545 1.92204      1.40771  1.89715      1.38851  1.30679  0.447299  1.29944  0.444239  
1 1 1 22 16 37 o 3.36547  0.155255  11.5466      1.04501  11.3792      1.49206  11.7077      1.46408  3.30614  0.22565   3.35794  0.218002  
1 1 1 22 16 38 o 0.841326 0.349778  0.3782       0.970994 0.626645     1.34148  0.104787     1.40727  0.985746 0.410555  0.913461 0.401101  
1 1 1 22 16 39 o 1.30409  0.360939  2.04321      0.972704 1.92102      1.34477  2.17729      1.40867  1.246    0.436199  1.30997  0.447452  
1 1 1 22 16 40 o 0.641222 0.302677  -0.827146    1.02917  0.0996469    1.48999  -1.67274     1.42322  0.892797 0.400779  0.686209 0.332526  
1 1 1 22 16 41 o 0.72487  0.329642  -0.152678    1.0475   -0.709158    1.48635  0.39645      1.47649  0.773498 0.364712  0.903349 0.402396  
1 1 1 22 16 42 o 0.648385 0.309229  -0.705372    1.10395  -1.04482     1.55912  -0.364079    1.56334  0.728553 0.352105  0.790374 0.373071  
1 1 1 22 16 43 o 0.663888 0.311513  -0.319175    1.05481  -0.56277     1.46545  -0.0572945   1.51946  0.729399 0.349865  0.78629  0.37016   
1 1 1 22 16 44 o 0.769378 0.346039  0.689945     1.11581  1.15015      1.6923   0.336004     1.48411  0.848593 0.39753   0.758267 0.360425  
1 1 1 22 17 0  o 8.29164  0.0902933 68.7799      1.49696  68.7799      1.49696  68.7799      1.49696  8.2925   0.0638319 ?        ?         
1 1 1 22 17 1  o 9.34895  0.0689594 87.4089      1.2894   87.4403      1.82063  87.3773      1.82635  9.35029  0.0973566 9.34692  0.097698  
1 1 1 22 17 2  o 19.174   0.128931  367.732      4.94426  361.944      6.88693  373.889      7.10254  19.0202  0.181043  19.3313  0.183705  
1 1 1 22 17 3  o 25.1611  0.175357  633.368      8.82438  635.924      12.5208  630.845      12.4387  25.2059  0.248371  25.1051  0.247733  
1 1 1 22 17 4  o 11.3048  0.0842927 127.812      1.90583  127.272      2.68531  128.361      2.70529  11.2803  0.119027  11.3285  0.119403  
1 1 1 22 17 5  o 16.3654  0.116716  267.88       3.8202   261.474      5.28376  274.897      5.52979  16.1669  0.163413  16.5765  0.166796  
1 1 1 22 17 6  o 25.3258  0.183123  641.715      9.27546  630.756      12.758   654.002      13.5092  25.1025  0.254118  25.5599  0.264265  
1 1 1 22 17 7  o 20.1754  0.145433  407.176      5.86834  407.757      8.51927  406.651      8.09512  20.1861  0.211018  20.1594  0.200778  
1 1 1 22 17 8  o 29.2657  0.208521  857.04       12.205   844.85       17.4482  868.719      17.0787  29.0461  0.300353  29.455   0.289913  
1 1 1 22 17 9  o 36.8206  0.247471  1357.1       18.2241  1364.65      25.6596  1349.42      25.8874  36.9042  0.347651  36.6966  0.352721  
1 1 1 22 17 10 o 24.3047  0.162854  590.998      7.91624  588.867      11.16    593.156      11.2308  24.255   0.230056  24.3431  0.230677  
1 1 1 22 17 11 o 16.0027  0.1105    256.149      3.53659  257.854      5.03243  254.486      4.97113  16.0539  0.156735  15.9488  0.155847  
1 1 1 22 17 12 o 7.52392  0.0676601 56.6147      1.01814  56.5999      1.44561  56.6293      1.43419  7.52256  0.0960847 7.52453  0.0953009 
1 1 1 22 17 13 o 16.0715  0.113096  258.363      3.63524  256.951      5.05989  259.87       5.22616  16.0253  0.157872  16.1159  0.162143  
1 1 1 22 17 14 o 22.0721  0.159884  487.465      7.05796  484.012      9.9181   491.008      10.0461  21.9872  0.225542  22.1454  0.22682   
1 1 1 22 17 15 o 15.7579  0.118923  248.4        3.74796  248.892      5.45127  247.96       5.16142  15.7702  0.172834  15.7413  0.163945  
1 1 1 22 17 16 o 13.4548  0.102054  181.086      2.74624  184.774      3.99271  177.774      3.7833   13.5889  0.146911  13.3293  0.141916  
1 1 1 22 17 17 o 12.9001  0.109493  166.476      2.82492  165.922      3.99237  167.032      3.99771  12.876   0.155031  12.9191  0.154721  
1 1 1 22 17 18 o 3.852    0.104865  14.8444      0.807881 16.0536      1.11016  13.4833      1.17788  4.00514  0.138592  3.67004  0.160472  
1 1 1 22 17 19 o 11.0721  0.102053  122.654      2.25988  119.967      3.26732  125.119      3.12907  10.947   0.149234  11.1803  0.139936  
1 1 1 22 17 20 o 6.20766  0.0967499 38.5556      1.20118  40.2186      1.76293  37.1145      1.64106  6.33832  0.139069  6.08902  0.134756  
1 1 1 22 17 21 o 10.8201  0.0953426 117.147      2.06324  117.633      2.86391  116.622      2.97498  10.8394  0.132106  10.7922  0.13783   
1 1 1 22 17 22 o 11.1631  0.0985799 124.714      2.20091  127.069      3.08376  122.269      3.14216  11.2637  0.136889  11.0482  0.142202  
1 1 1 22 17 23 o 2.39848  0.15827   5.76784      0.759215 5.12584      1.03852  6.50483      1.1127   2.25781  0.229985  2.54411  0.218681  
1 1 1 22 17 24 o 2.88912  0.137087  8.36603      0.792122 7.15168      1.10307  9.65902      1.13822  2.66734  0.206772  3.10156  0.183492  
1 1 1 22 17 25 f 0.63709  0.283315  -0.276507    0.72917  -0.955846    1.00185  0.48872      1.0633   0.657967 0.307673  0.944637 0.375999  
1 1 1 22 17 26 o 7.1607   0.0864764 51.3406      1.23846  50.8934      1.70638  51.8384      1.80029  7.12525  0.119742  7.19028  0.125189  
1 1 1 22 17 27 o 2.1012   0.182548  4.44437      0.767141 4.79598      1.06838  4.07014      1.10221  2.177    0.24538   2.00245  0.275215  
1 1 1 22 17 28 o 4.59525  0.100496  21.1648      0.923604 21.7464      1.29221  20.5573      1.3206   4.65316  0.138853  4.52312  0.145983  
1 1 1 22 17 29 o 1.87671  0.222804  3.57045      0.836277 3.60495      1.19907  3.53777      1.16694  1.8432   0.337866  1.82722  0.331531  
1 1 1 22 17 30 o 4.26647  0.111678  18.2744      0.952939 19.3265      1.305    17.0725      1.3948   4.38075  0.148947  4.1131   0.169556  
1 1 1 22 17 31 o 3.60207  0.140631  13.0672      1.01313  13.6475      1.39914  12.4275      1.46897  3.67018  0.190609  3.49744  0.210007  
1 1 1 22 17 32 o 1.43071  0.315279  2.2053       0.877856 3.20654      1.22702  1.15545      1.25646  1.71492  0.368347  1.13496  0.419101  
1 1 1 22 17 33 o 1.06677  0.340388  1.19562      0.817807 1.42182      1.13854  0.954515     1.17545  1.17626  0.402268  1.0603   0.402228  
1 1 1 22 17 34 o 1.15138  0.375908  1.41365      0.994216 0.957112     1.41407  1.85996      1.39813  1.1044   0.435486  1.31119  0.445774  
1 1 1 22 17 35 o 2.39017  0.200643  5.85986      0.959143 5.27588      1.29709  6.56444      1.42474  2.23717  0.289897  2.4975   0.285233  
1 1 1 22 17 36 o 1.46092  0.338484  2.39712      0.97042  1.85211      1.41561  2.88028      1.33288  1.28835  0.447872  1.56851  0.417428  
1 1 1 22 17 37 o 2.49284  0.197288  6.42324      0.983613 6.69948      1.39272  6.14832      1.38936  2.50639  0.277833  2.39434  0.290135  
1 1 1 22 17 38 o 0.735991 0.326362  -0.116455    0.958986 0.699203     1.32219  -1.02183     1.39301  0.989731 0.40961   0.75885  0.356419  
1 1 1 22 17 39 o 1.54522  0.316751  2.75721      0.945202 3.52753      1.32707  1.96409      1.34658  1.69007  0.398606  1.25348  0.436712  
1 1 1 22 17 40 o 1.44384  0.365258  2.60682      1.05608  2.16098      1.52943  3.01311      1.46004  1.25619  0.462604  1.47302  0.452286  
1 1 1 22 17 41 o 0.747154 0.330096  0.128785     0.968971 0.148408     1.33504  0.106941     1.40858  0.837959 0.377606  0.847336 0.384513  
1 1 1 22 17 42 o 1.47387  0.384539  3.10303      1.14535  2.75408      1.55918  3.51202      1.68801  1.25319  0.466043  1.38754  0.488418  
1 1 1 22 17 43 o 0.874518 0.365468  1.05897      1.0686   1.18746      1.52998  0.93659      1.49316  0.910147 0.407403  0.875447 0.396655  
1 1 1 22 17 44 o 0.640289 0.306577  -0.346722    1.11275  0.59864      1.69964  -1.05592     1.47211  0.804156 0.383561  0.648832 0.319563  
1 1 1 22 18 0  f 17.012   0.163267  289.544      5.55384  289.544      5.55384  289.544      5.55384  17.014   0.115422  ?        ?         
1 1 1 22 18 1  o 21.9954  0.147455  483.952      6.48664  484.993      9.18275  482.916      9.16427  22.0153  0.208553  21.9682  0.208581  
1 1 1 22 18 2  o 35.7728  0.237548  1280.76      16.9955  1263.4       23.6998  1299.14      24.3854  35.5145  0.333664  36.0126  0.338567  
1 1 1 22 18 3  o 14.1405  0.102117  199.984      2.88796  195.697      4.00486  204.628      4.16842  13.987   0.143164  14.3025  0.145723  
1 1 1 22 18 4  o 11.1113  0.0833987 123.475      1.85334  122.225      2.59689  124.772      2.64584  11.0544  0.11746   11.1689  0.118446  
1 1 1 22 18 5  o 13.9958  0.102585  195.912      2.8715   193.698      3.96801  198.345      4.16067  13.9154  0.142576  14.0812  0.147739  
1 1 1 22 18 6  o 29.539   0.215571  873.162      12.7355  859.504      17.31    889.278      18.8041  29.2977  0.295415  29.798   0.315526  
1 1 1 22 18 7  o 12.7404  0.0951464 162.341      2.42442  163.1        3.47955  161.625      3.37991  12.7692  0.136247  12.7114  0.132948  
1 1 1 22 18 8  o 10.7565  0.0868899 115.717      1.86926  115.243      2.63305  116.198      2.65416  10.7338  0.122652  10.7782  0.123127  
1 1 1 22 18 9  f 31.0866  0.206983  967.108      12.8688  967.328      18.2101  966.889      18.1883  31.078   0.292974  31.071   0.29269   
1 1 1 22 18 10 o 19.5753  0.132719  383.324      5.19602  383.646      7.35373  383.002      7.34284  19.5802  0.187785  19.5637  0.187665  
1 1 1 22 18 11 o 13.8928  0.101157  193.05       2.81069  190.901      3.88546  195.41       4.07087  13.8139  0.140636  13.9758  0.145639  
1 1 1 22 18 12 o 14.3594  0.105188  206.241      3.02086  207.669      4.24648  204.777      4.29828  14.4074  0.147372  14.3066  0.15022   
1 1 1 22 18 13 o 14.0586  0.104671  197.693      2.94305  199.222      4.29531  196.34       4.04055  14.1109  0.152198  14.0088  0.144214  
1 1 1 22 18 14 o 17.3652  0.128678  301.675      4.46906  299.695      6.28211  303.704      6.359    17.3046  0.181516  17.4199  0.182521  
1 1 1 22 18 15 o 5.38491  0.07865   29.0021      0.847045 28.4753      1.20102  29.5235      1.19481  5.33529  0.112555  5.43265  0.109965  
1 1 1 22 18 16 o 7.30097  0.0786516 53.3142      1.14846  51.1811      1.58467  55.674       1.66679  7.15276  0.110773  7.46007  0.111714  
1 1 1 22 18 17 f 8.68048  0.0923969 75.374       1.6041   75.654       2.23582  75.0769      2.30274  8.69533  0.128564  8.66193  0.132923  
1 1 1 22 18 18 o 2.08771  0.1799    4.36482      0.751157 4.9187       1.06746  3.82154      1.0572   2.21491  0.240972  1.95165  0.270849  
1 1 1 22 18 19 o 7.0093   0.0896305 49.151       1.2565   50.7247      1.76413  47.5308      1.79006  7.11927  0.123898  6.89123  0.12988   
1 1 1 22 18 20 o 10.9456  0.0997926 119.88       2.18459  119.888      3.11501  119.871      3.06455  10.9425  0.142335  10.942   0.140036  
1 1 1 22 18 21 o 6.52992  0.085936  42.6627      1.12231  43.2828      1.55425  41.9872      1.62231  6.57559  0.118183  6.47602  0.125256  
1 1 1 22 18 22 o 10.5285  0.0981648 110.948      2.06706  112.029      2.95021  109.905      2.89704  10.575   0.139491  10.4744  0.138292  
1 1 1 22 18 23 o 7.86827  0.0860504 61.9601      1.35414  62.4303      1.92437  61.4989      1.90584  7.89485  0.121875  7.83576  0.121611  
1 1 1 22 18 24 o 3.98912  0.105606  15.9362      0.842547 16.486       1.18499  15.3741      1.19821  4.05465  0.146127  3.91501  0.153027  
1 1 1 22 18 25 o 8.61888  0.0866333 74.369       1.49337  75.417       2.10732  73.3118      2.11658  8.67456  0.121466  8.55227  0.123744  
1 1 1 22 18 26 o 3.66614  0.109804  13.4697      0.805112 13.2029      1.11893  13.7562      1.15935  3.62579  0.154301  3.70076  0.156637  
1 1 1 22 18 27 o 1.21642  0.302932  1.56656      0.735058 2.19194      1.01247  0.869557     1.06888  1.43418  0.354536  1.03684  0.385813  
1 1 1 22 18 28 o 4.61123  0.102458  21.3171      0.944912 21.276       1.31528  21.3609      1.35837  4.60131  0.142925  4.60978  0.147336  
1 1 1 22 18 29 o 3.23075  0.134358  10.492       0.868154 10.7123      1.26115  10.2935      1.19688  3.25558  0.193691  3.19237  0.18746   
1 1 1 22 18 30 o 3.95922  0.116525  15.7458      0.9227   17.3372      1.26993  13.9663      1.34292  4.14754  0.153094  3.7169   0.18065   
1 1 1 22 18 31 o 4.89447  0.112773  24.0647      1.10393  24.1721      1.52425  23.9462      1.60095  4.89514  0.15569   4.86979  0.164376  
1 1 1 22 18 32 o 4.53868  0.118936  20.7167      1.07962  22.4467      1.55773  19.1175      1.49767  4.71176  0.165302  4.34627  0.172294  
1 1 1 22 18 33 o 1.55095  0.288238  2.57747      0.860644 1.93121      1.19474  3.27456      1.24084  1.32585  0.409549  1.72141  0.371005  
1 1 1 22 18 34 f 1.96564  0.244669  3.9989       0.961863 3.6813       1.34111  4.33533      1.3803   1.8142   0.381657  1.98276  0.361467  
1 1 1 22 18 35 o 1.00085  0.363422  0.959675     0.941045 1.03172      1.30313  0.881159     1.3604   1.0886   0.420647  1.06841  0.425287  
1 1 1 22 18 36 o 2.12107  0.227347  4.67542      0.964436 3.35135      1.33756  6.10925      1.3919   1.70122  0.399498  2.39607  0.290455  
1 1 1 22 18 37 o 1.37032  0.348902  2.15294      0.958984 3.12683      1.34867  1.15697      1.36387  1.62042  0.414467  1.10615  0.429737  
1 1 1 22 18 38 o 0.83654  0.347948  0.399996     0.961551 -1.22986     1.32369  2.22087      1.39911  0.71181  0.339272  1.33388  0.445931  
1 1 1 22 18 39 o 0.615291 0.288807  -0.714137    0.90941  -0.848648    1.25821  -0.567001    1.31593  0.722989 0.339421  0.774453 0.358438  
1 1 1 22 18 40 o 1.09807  0.384138  1.5163       1.04277  0.606343     1.4885   2.39327      1.46128  0.950842 0.415045  1.3013   0.454783  
1 1 1 22 18 41 o 0.896434 0.359454  0.849582     0.980128 0.973569     1.35888  0.715132     1.41505  0.966906 0.408488  0.93063  0.405463  
1 1 1 22 18 42 o 0.802632 0.352265  0.507028     1.08437  0.891239     1.51999  0.108813     1.54745  0.913159 0.40748   0.820963 0.383303  
1 1 1 22 18 43 o 1.36851  0.381494  2.98719      1.08278  1.12582      1.57218  4.66671      1.49341  0.878825 0.400774  1.61221  0.447574  
1 1 1 22 18 44 o 0.63458  0.304468  -0.347731    1.11175  -0.0734601   1.66235  -0.569671    1.49538  0.736489 0.357668  0.679351 0.331949  
1 1 1 22 19 0  o 5.49072  0.0774002 30.1673      0.849585 30.1673      0.849585 30.1673      0.849585 5.4916   0.0547092 ?        ?         
1 1 1 22 19 1  o 17.704   0.119949  313.499      4.24716  310.358      5.94979  316.762      6.06465  17.6132  0.168902  17.7939  0.170414  
1 1 1 22 19 2  o 12.41    0.0879124 154.027      2.18199  153.578      3.0398   154.504      3.13396  12.3912  0.122659  12.4284  0.12608   
1 1 1 22 19 3  o 7.04957  0.064243  49.6994      0.905771 48.5904      1.283    50.8015      1.27891  6.97023  0.0920345 7.12708  0.0897222 
1 1 1 22 19 4  o 25.2366  0.178103  637.187      8.98942  633.356      12.5003  641.29       12.9369  25.1547  0.248468  25.3111  0.255558  
1 1 1 22 19 5  o 23.2704  0.171103  541.748      7.96326  538.513      11.2036  545.052      11.3208  23.1955  0.241505  23.3358  0.242563  
1 1 1 22 19 6  o 17.4911  0.135819  306.026      4.75124  307.758      6.65733  304.228      6.78296  17.538   0.189797  17.4369  0.1945    
1 1 1 22 19 7  f 10.4309  0.0821548 108.816      1.7139   108.056      2.37298  109.644      2.47807  10.3939  0.114153  10.4699  0.118343  
1 1 1 22 19 8  o 7.81625  0.0774759 61.1003      1.21114  59.7311      1.68667  62.5578      1.74022  7.72776  0.10913   7.90848  0.110022  
1 1 1 22 19 9  o 14.2247  0.102604  202.382      2.91901  202.595      4.26872  202.195      4.00052  14.2305  0.149985  14.2168  0.140697  
1 1 1 22 19 10 o 3.91102  0.0683186 15.2976      0.534391 14.5245      0.750604 16.0921      0.76099  3.81072  0.0984858 4.01113  0.0948598 
1 1 1 22 19 11 o 17.1616  0.125092  294.62       4.29357  297.308      6.04039  291.874      6.10417  17.237   0.175216  17.0785  0.178709  
1 1 1 22 19 12 o 16.5196  0.114339  272.975      3.77767  274.609      5.37217  271.377      5.31319  16.5665  0.162139  16.4688  0.161311  
1 1 1 22 19 13 f 8.98101  0.0891    80.6739      1.60042  81.1195      2.31382  80.2652      2.21601  9.00485  0.128476  8.95744  0.123697  
1 1 1 22 19 14 f 14.9247  0.113042  222.821      3.37422  222.304      4.76807  223.34       4.77567  14.9048  0.159951  14.9395  0.159834  
1 1 1 22 19 15 o 5.08746  0.0794291 25.8871      0.808186 26.5729      1.16274  25.246       1.12413  5.15393  0.112801  5.02362  0.111885  
1 1 1 22 19 16 o 20.4766  0.148526  419.597      6.08261  412.705      8.57504  426.576      8.62944  20.3002  0.211206  20.6388  0.209058  
1 1 1 22 19 17 o 5.47701  0.0894792 30.0074      0.980158 29.6605      1.38111  30.3593      1.39125  5.44436  0.126839  5.50814  0.12629   
1 1 1 22 19 18 o 11.9487  0.103411  142.846      2.47126  142.599      3.44618  143.108      3.54571  11.9355  0.144368  11.9564  0.148277  
1 1 1 22 19 19 o 9.78989  0.0900066 95.8857      1.76231  96.4021      2.49601  95.3723      2.48857  9.814    0.127166  9.76142  0.12747   
1 1 1 22 19 20 o 1.88703  0.205173  3.57072      0.774336 2.91393      1.11029  4.19271      1.08048  1.67004  0.34418   2.04286  0.264451  
1 1 1 22 19 21 o 6.56989  0.0868189 43.1892      1.14078  43.8841      1.63618  42.5319      1.59137  6.62046  0.12357   6.51776  0.12208   
1 1 1 22 19 22 o 4.03037  0.101772  16.2611      0.820358 15.1076      1.13468  17.5244      1.18744  3.88263  0.146122  4.18194  0.141972  
1 1 1 22 19 23 o 4.02943  0.104188  16.2567      0.839636 17.7303      1.21866  14.925       1.15847  4.20561  0.144885  3.85824  0.150129  
1 1 1 22 19 24 o 3.59798  0.113     12.9684      0.813146 12.8634      1.14743  13.0743      1.15252  3.58017  0.160248  3.60945  0.159652  
1 1 1 22 19 25 o 2.59159  0.14195   6.73799      0.735751 5.63961      1.02827  7.89026      1.05319  2.36577  0.217323  2.80096  0.188005  
1 1 1 22 19 26 o 1.74196  0.205331  3.05874      0.715357 2.42086      0.993324 3.74602      1.03106  1.51071  0.337372  1.92237  0.268176  
1 1 1 22 19 27 f 2.29351  0.162694  5.28997      0.74628  4.94167      1.03753  5.66333      1.07422  2.21009  0.234726  2.36686  0.226929  
1 1 1 22 19 28 o 2.58811  0.155573  6.73996      0.80528  7.24527      1.12157  6.2023       1.15693  2.67672  0.209505  2.4732   0.233893  
1 1 1 22 19 29 o 2.81518  0.143331  7.97399      0.807006 8.72393      1.12645  7.18323      1.15671  2.93758  0.191731  2.66148  0.217306  
1 1 1 22 19 30 o 2.48465  0.18393   6.24668      0.914005 5.87463      1.26565  6.65219      1.32134  2.39441  0.264293  2.54913  0.259175  
1 1 1 22 19 31 o 4.02171  0.118122  16.2585      0.950108 16.9116      1.32983  15.5776      1.35793  4.0921   0.162487  3.92482  0.172992  
1 1 1 22 19 32 o 4.00488  0.126855  16.1497      1.01607  17.2782      1.4537   15.0718      1.42076  4.12918  0.176027  3.85408  0.184319  
1 1 1 22 19 33 o 2.60432  0.172868  6.88851      0.900405 7.35729      1.24599  6.37615      1.30262  2.67464  0.232927  2.48065  0.262556  
1 1 1 22 19 34 o 2.06465  0.231911  4.40041      0.957632 6.01666      1.36858  2.84992      1.34045  2.39469  0.285753  1.57803  0.417996  
1 1 1 22 19 35 o 2.64331  0.189403  7.1631       1.0013   7.79464      1.3868   6.47531      1.44723  2.73083  0.253917  2.47145  0.29279   
1 1 1 22 19 36 o 3.14939  0.164694  10.1251      1.03737  10.1115      1.42627  10.1403      1.51158  3.11782  0.228729  3.11471  0.242652  
1 1 1 22 19 37 o 0.764053 0.330586  0.0560797    0.928379 0.843694     1.27009  -0.847529    1.36041  1.02103  0.40928   0.776816 0.361411  
1 1 1 22 19 38 o 1.13093  0.366097  1.49859      0.943524 1.97082      1.32459  1.01218      1.34432  1.26543  0.433873  1.04446  0.420073  
1 1 1 22 19 39 o 1.70259  0.269781  3.18911      0.918654 3.53977      1.28078  2.81755      1.31838  1.69083  0.386933  1.47357  0.424296  
1 1 1 22 19 40 o 0.728025 0.328541  -0.0900925   1.01427  -0.738482    1.42227  0.58088      1.44683  0.758244 0.357299  0.930916 0.407745  
1 1 1 22 19 41 o 0.807304 0.352371  0.391874     1.07278  -2.26141     1.51986  3.02622      1.51443  0.644291 0.318661  1.38018  0.463944  
1 1 1 22 19 42 o 1.24383  0.393307  2.34812      1.09368  2.75404      1.52579  1.91915      1.5685   1.23854  0.460939  1.06881  0.444468  
1 1 1 22 19 43 f 1.06012  0.395313  2.03475      1.12334  0.66898      1.66378  3.17893      1.52284  0.819666 0.386301  1.20305  0.4574    
1 1 1 22 19 44 o 0.897476 0.380267  1.58368      1.18325  3.23035      1.79316  0.313662     1.57478  1.04508  0.455867  0.739369 0.35659   
1 1 1 22 20 0  o 7.12578  0.091347  50.805       1.30136  50.805       1.30136  50.805       1.30136  7.12677  0.0645712 ?        ?         
1 1 1 22 20 1  o 16.3133  0.112552  266.176      3.67218  267.613      5.16362  264.705      5.2234   16.3558  0.157853  16.2665  0.160557  
1 1 1 22 20 2  o 32.468   0.215676  1054.9       14.0051  1040.55      19.5539  1070.03      20.0686  32.2347  0.303304  32.6876  0.306976  
1 1 1 22 20 3  o 7.88883  0.0639257 62.2374      1.0086   60.8901      1.4202   63.6084      1.43262  7.80272  0.091007  7.97499  0.0898197 
1 1 1 22 20 4  o 4.51424  0.0643133 20.3797      0.580652 20.8352      0.829564 19.9422      0.813017 4.56426  0.0908761 4.46538  0.0910356 
1 1 1 22 20 5  o 17.5218  0.130627  307.098      4.57764  305.986      6.44894  308.228      6.49885  17.4876  0.184387  17.5515  0.185137  
1 1 1 22 20 6  o 18.4026  0.144249  338.774      5.3091   342.781      7.59064  334.936      7.4284   18.5076  0.205068  18.2947  0.20302   
1 1 1 22 20 7  o 11.0087  0.0891635 121.208      1.96314  122.413      2.79445  120.034      2.7585   11.0624  0.126304  10.9544  0.125908  
1 1 1 22 20 8  o 2.25902  0.10617   5.1043       0.47968  4.3146       0.624906 6.23701      0.748416 2.0767   0.150457  2.49685  0.149872  
1 1 1 22 20 9  o 13.1944  0.0982524 174.127      2.59277  173.972      3.66126  174.284      3.67222  13.1872  0.138819  13.199   0.139109  
1 1 1 22 20 10 o 13.2955  0.0955734 176.804      2.54139  176.963      3.63936  176.652      3.55042  13.3001  0.136817  13.2885  0.133589  
1 1 1 22 20 11 f 19.2004  0.130788  368.794      5.02236  369.012      7.10247  368.575      7.10291  19.2025  0.184936  19.1911  0.185057  
1 1 1 22 20 12 o 5.13309  0.0708229 26.3517      0.727081 26.558       1.03395  26.15        1.02263  5.15283  0.100329  5.11311  0.100001  
1 1 1 22 20 13 o 4.22022  0.0833139 17.8134      0.703206 18.1684      0.993353 17.4568      0.995617 4.26169  0.116544  4.17737  0.119168  
1 1 1 22 20 14 o 9.92657  0.0918977 98.5601      1.82446  99.1531      2.72355  98.0774      2.45729  9.95493  0.136794  9.90125  0.12409   
1 1 1 22 20 15 o 5.34132  0.0823257 28.5358      0.879456 28.9796      1.27426  28.132       1.21531  5.38209  0.118379  5.30287  0.11459   
1 1 1 22 20 16 o 14.7197  0.120121  216.785      3.53629  218.471      4.78013  214.747      5.25579  14.7736  0.16178   14.6455  0.179433  
1 1 1 22 20 17 o 3.14469  0.119265  9.8954       0.750101 8.99199      1.0509   10.8337      1.07099  2.99657  0.175351  3.28947  0.16279   
1 1 1 22 20 18 o 9.03522  0.0900756 81.67        1.62771  83.4958      2.35999  80.0134      2.24794  9.13363  0.129193  8.94134  0.125705  
1 1 1 22 20 19 o 6.36878  0.0845803 40.579       1.07735  39.7799      1.51285  41.4011      1.53458  6.30437  0.119984  6.43159  0.1193    
1 1 1 22 20 20 o 4.3034   0.10607   18.5341      0.912922 19.6134      1.28886  17.4474      1.29328  4.42532  0.145624  4.17339  0.154944  
1 1 1 22 20 21 o 6.97996  0.0843262 48.7504      1.17719  48.4859      1.6718   49.0105      1.65788  6.95874  0.120122  6.99641  0.118481  
1 1 1 22 20 22 o 3.89869  0.102759  15.2171      0.801249 15.1781      1.10527  15.2602      1.16323  3.8917   0.142004  3.90179  0.149063  
1 1 1 22 20 23 o 3.20699  0.123276  10.3043      0.79069  9.87368      1.13408  10.7116      1.10298  3.13583  0.180826  3.26704  0.168804  
1 1 1 22 20 24 f 4.09911  0.103641  16.829       0.849669 15.8003      1.17889  17.941       1.2257   3.96854  0.14853   4.22917  0.144911  
1 1 1 22 20 25 o 4.683    0.0949456 21.9644      0.889261 21.7385      1.28528  22.1719      1.23164  4.6548   0.13806   4.70174  0.130977  
1 1 1 22 20 26 o 2.28389  0.160376  5.24298      0.732562 4.76472      1.03862  5.71643      1.0334   2.17049  0.239259  2.37976  0.217122  
1 1 1 22 20 27 o 4.15009  0.102976  17.2646      0.854714 16.2482      1.17587  18.4033      1.24455  4.0212   0.146209  4.27969  0.145402  
1 1 1 22 20 28 o 1.59178  0.241846  2.57456      0.769929 3.07268      1.06795  2.03547      1.11101  1.70234  0.325304  1.37825  0.387163  
1 1 1 22 20 29 o 3.85788  0.113671  14.9433      0.877056 15.3562      1.22136  14.5037      1.26025  3.90372  0.156435  3.79195  0.166174  
1 1 1 22 20 30 o 1.40955  0.319483  2.13664      0.880018 0.968579     1.24267  3.31173      1.2464   1.09026  0.413576  1.7473   0.368195  
1 1 1 22 20 31 o 3.45485  0.129023  12.0144      0.891514 10.05        1.2137   14.3163      1.31383  3.14718  0.192823  3.76113  0.174659  
1 1 1 22 20 32 f 1.6319   0.263771  2.75228      0.860896 2.74206      1.22157  2.76237      1.21345  1.56999  0.390238  1.57667  0.387135  
1 1 1 22 20 33 o 2.93943  0.15556   8.75652      0.914517 10.0396      1.29196  7.46803      1.29469  3.13155  0.206282  2.68961  0.240683  
1 1 1 22 20 34 o 1.86502  0.260356  3.6244       0.971136 3.4211       1.32498  3.86039      1.42754  1.73914  0.390524  1.84579  0.398048  
1 1 1 22 20 35 o 1.8494   0.255623  3.58657      0.945501 4.23411      1.31339  2.88997      1.36223  1.94843  0.349734  1.56961  0.423946  
1 1 1 22 20 36 o 2.42488  0.205519  6.07912      0.996718 5.49359      1.41219  6.66033      1.40697  2.25701  0.312846  2.50275  0.281084  
1 1 1 22 20 37 o 0.991819 0.362585  0.998345     0.938093 -0.113788    1.29273  2.23544      1.36342  0.849021 0.377406  1.35886  0.440103  
1 1 1 22 20 38 o 1.60807  0.312017  2.96095      0.967674 3.33304      1.33801  2.55291      1.40117  1.63716  0.409315  1.40898  0.44514   
1 1 1 22 20 39 o 0.97875  0.367859  1.04625      0.976521 1.98012      1.40492  0.173342     1.35828  1.23357  0.444431  0.877041 0.388721  
1 1 1 22 20 40 o 0.996749 0.375794  1.196        1.02078  2.15939      1.43918  0.220701     1.44805  1.22837  0.449097  0.875243 0.393898  
1 1 1 22 20 41 o 1.2986   0.401741  2.45517      1.14903  2.01615      1.64989  2.86864      1.60115  1.12604  0.460599  1.30122  0.473895  
1 1 1 22 20 42 o 0.768068 0.348466  0.26074      1.15616  0.199051     1.67904  0.316363     1.59437  0.838181 0.393246  0.840604 0.391153  
1 1 1 22 20 43 o 0.734425 0.334781  0.445749     1.09452  0.354508     1.55551  0.535223     1.54037  0.770279 0.367292  0.786403 0.370939  
1 1 1 22 20 44 o 0.692056 0.323897  0.489397     1.11385  0.542032     1.62695  0.442962     1.52814  0.722784 0.351869  0.710154 0.344266  
1 1 1 22 21 0  o 13.5788  0.133526  184.462      3.62545  184.462      3.62545  184.462      3.62545  13.5802  0.0943969 ?        ?         
1 1 1 22 21 1  o 12.2736  0.0931633 150.662      2.2869   149.601      3.213    151.751      3.25575  12.2295  0.131363  12.317   0.132165  
1 1 1 22 21 2  o 9.75868  0.0722512 95.2398      1.41015  93.9218      1.96923  96.627       2.02026  9.69051  0.101606  9.82905  0.10277   
1 1 1 22 21 3  o 6.67353  0.0587881 44.5385      0.784648 43.5815      1.09408  45.5521      1.12593  6.60125  0.082869  6.74884  0.0834165 
1 1 1 22 21 4  o 4.84228  0.0628673 23.4492      0.608842 22.7488      0.792611 24.4573      0.950907 4.76929  0.0830953 4.94504  0.0961476 
1 1 1 22 21 5  f 7.46402  0.0712964 55.7166      1.06432  55.0436      1.49105  56.4158      1.5197   7.41846  0.100496  7.51035  0.101173  
1 1 1 22 21 6  o 13.8027  0.111689  190.558      3.0832   190.503      4.36146  190.614      4.35915  13.799   0.158035  13.8031  0.157905  
1 1 1 22 21 7  o 24.0032  0.176934  576.515      8.49397  579.533      12.074   573.558      11.9515  24.0583  0.250931  23.9342  0.249675  
1 1 1 22 21 8  o 7.38231  0.0828801 54.5063      1.22369  55.9698      1.75709  53.1279      1.7052   7.48023  0.117449  7.28786  0.116989  
1 1 1 22 21 9  o 16.1541  0.113987  261.027      3.6827   261.96       5.22796  260.108      5.18851  16.1807  0.161549  16.1234  0.1609    
1 1 1 22 21 10 o 34.6966  0.230958  1205.25      16.0269  1199.2       22.5556  1211.42      22.777   34.5892  0.32605   34.7647  0.327588  
1 1 1 22 21 11 o 32.9599  0.219672  1087.56      14.4807  1097.58      20.6511  1077.87      20.3109  33.0924  0.312022  32.7945  0.309669  
1 1 1 22 21 12 o 31.7325  0.22133   1008.18      14.0467  1004.71      19.7984  1011.7       19.9323  31.6582  0.31269   31.7679  0.313717  
1 1 1 22 21 13 o 14.3028  0.113375  204.642      3.24317  204.913      4.546    204.36       4.62817  14.3098  0.158842  14.2903  0.161934  
1 1 1 22 21 14 o 21.4798  0.158022  461.728      6.78853  460.362      9.69211  463.042      9.51131  21.4395  0.226034  21.5025  0.221167  
1 1 1 22 21 15 o 5.67539  0.0805687 32.2172      0.914517 32.055       1.27586  32.3886      1.31152  5.66047  0.112699  5.6898   0.115252  
1 1 1 22 21 16 o 6.93747  0.0810323 48.1416      1.12432  47.7791      1.59196  48.5025      1.5881   6.9103   0.115187  6.96246  0.114047  
1 1 1 22 21 17 o 6.4461   0.0816276 41.5658      1.05236  43.2492      1.51068  39.9787      1.46681  6.57429  0.114893  6.32079  0.116031  
1 1 1 22 21 18 f 5.51178  0.0869894 30.3928      0.958933 29.865       1.34853  30.9326      1.36387  5.46254  0.123435  5.55935  0.122665  
1 1 1 22 21 19 o 4.9196   0.0933911 24.2162      0.918893 23.3691      1.30466  25.0501      1.29442  4.83124  0.135023  5.00224  0.129384  
1 1 1 22 21 20 o 4.75982  0.106255  22.6758      1.01151  23.0191      1.38748  22.2864      1.47778  4.79386  0.144714  4.71628  0.156668  
1 1 1 22 21 21 o 6.03739  0.0842264 36.4758      1.01702  36.3213      1.46166  36.6208      1.41598  6.02233  0.121353  6.04742  0.117073  
1 1 1 22 21 22 o 2.21042  0.16747   4.90147      0.740359 3.53436      1.03611  6.32778      1.0583   1.87186  0.276759  2.50917  0.210886  
1 1 1 22 21 23 o 3.90947  0.104525  15.3066      0.817273 15.8561      1.18123  14.802       1.13194  3.97603  0.148543  3.8417   0.147324  
1 1 1 22 21 24 o 6.87698  0.0859185 47.3466      1.18172  49.0453      1.7038   45.772       1.6404   6.99515  0.121785  6.75775  0.121372  
1 1 1 22 21 25 o 7.21875  0.0846798 52.1786      1.22257  52.0427      1.73297  52.3133      1.725    7.20452  0.12027   7.22337  0.119404  
1 1 1 22 21 26 o 3.47853  0.11285   12.1321      0.785104 11.3314      1.10925  12.9359      1.11136  3.35679  0.165225  3.5878   0.154881  
1 1 1 22 21 27 o 2.78877  0.142205  7.81527      0.793153 7.01656      1.11867  8.62265      1.12473  2.63458  0.212306  2.9234   0.192366  
1 1 1 22 21 28 o 2.33905  0.168887  5.51597      0.790071 6.47094      1.1271   4.59341      1.10781  2.52595  0.223105  2.12272  0.260941  
1 1 1 22 21 29 f 1.42322  0.2832    2.14655      0.777501 3.19781      1.10226  1.10553      1.09687  1.73112  0.330212  1.09621  0.392919  
1 1 1 22 21 30 o 1.37307  0.336246  2.03669      0.917265 1.63559      1.31865  2.41273      1.27678  1.27047  0.432919  1.48422  0.41443   
1 1 1 22 21 31 o 0.574329 0.269951  -0.828992    0.801962 -1.47414     1.14196  -0.201219    1.12648  0.649037 0.31072   0.81346  0.358016  
1 1 1 22 21 32 o 1.72044  0.262914  3.06264      0.904659 2.18451      1.25864  4.00115      1.30118  1.40217  0.417831  1.91602  0.352771  
1 1 1 22 21 33 o 3.6014   0.132213  13.1008      0.952306 14.5875      1.39207  11.7931      1.30561  3.78249  0.184015  3.39802  0.192114  
1 1 1 22 21 34 o 0.765072 0.336978  -0.137139    0.999552 -0.826117    1.37151  0.643383     1.45978  0.796884 0.367713  1.046    0.431454  
1 1 1 22 21 35 o 1.36995  0.335393  2.10929      0.912803 4.00525      1.32204  0.382036     1.26186  1.88581  0.363496  0.938827 0.394984  
1 1 1 22 21 36 o 1.35966  0.35079   2.1189       0.959949 2.06354      1.3745   2.17162      1.34125  1.32641  0.441991  1.35514  0.436273  
1 1 1 22 21 37 o 2.84707  0.228983  8.55299      1.30386  7.67615      1.40092  14.2317      3.56514  2.6761   0.261746  3.30134  0.539953  
1 1 1 22 21 38 o 1.56519  0.306584  2.80283      0.9255   2.87922      1.32415  2.72987      1.29408  1.50559  0.422585  1.46758  0.419653  
1 1 1 22 21 39 o 1.42743  0.350135  2.50365      0.993355 3.71411      1.41786  1.33675      1.39212  1.67898  0.42231   1.07983  0.430097  
1 1 1 22 21 40 o 1.06228  0.373882  1.44866      0.989121 0.960631     1.32958  2.05349      1.48016  0.970064 0.406659  1.19595  0.452043  
1 1 1 22 21 41 o 0.881597 0.378675  0.803496     1.20162  1.46347      1.75821  0.225052     1.64604  1.02116  0.448363  0.860181 0.399174  
1 1 1 22 21 42 o 0.682407 0.320359  -0.265238    1.12053  -1.17999     1.52834  0.797997     1.64772  0.686246 0.335381  0.886215 0.406534  
1 1 1 22 21 43 o 0.634893 0.304344  -0.358619    1.10457  -2.29234     1.59849  1.40851      1.52808  0.597673 0.300733  0.880492 0.399807  
1 1 1 22 22 0  o 5.33628  0.144547  28.5436      1.54012  28.5436      1.54012  28.5436      1.54012  5.33945  0.102064  ?        ?         
1 1 1 22 22 1  o 7.34524  0.0907718 53.9812      1.33302  53.9812      1.33302  53.9812      1.33302  7.34621  0.0641659 ?        ?         
1 1 1 22 22 2  o 21.71    0.206373  471.63       8.9589   471.63       8.9589   471.63       8.9589   21.7135  0.14589   ?        ?         
1 1 1 22 22 3  o 13.0412  0.149546  170.175      3.89936  170.175      3.89936  170.175      3.89936  13.0432  0.105713  ?        ?         
1 1 1 22 22 4  o 0.554325 0.343084  0.246942     0.734099 0.246942     0.734099 0.246942     0.734099 0.490375 0.296087  ?        ?         
1 1 1 22 22 5  o 22.1698  0.230847  491.913      10.2332  491.913      10.2332  491.913      10.2332  22.1744  0.163179  ?        ?         
1 1 1 22 22 6  o 10.6734  0.130708  113.993      2.78925  113.993      2.78925  113.993      2.78925  10.6751  0.0923942 ?        ?         
1 1 1 22 22 7  o 10.8813  0.150872  118.5        3.28196  118.5        3.28196  118.5        3.28196  10.8835  0.106638  ?        ?         
1 1 1 22 22 8  o 8.48778  0.123795  72.1001      2.10049  72.1001      2.10049  72.1001      2.10049  8.48948  0.0874981 ?        ?         
1 1 1 22 22 9  o 16.3185  0.166859  266.457      5.4445   266.457      5.4445   266.457      5.4445   16.321   0.117955  ?        ?         
1 1 1 22 22 10 o 16.7823  0.164157  281.815      5.50869  281.815      5.50869  281.815      5.50869  16.7848  0.116047  ?        ?         
1 1 1 22 22 11 o 11.8629  0.157931  140.847      3.74556  140.847      3.74556  140.847      3.74556  11.8654  0.111629  ?        ?         
1 1 1 22 22 12 o 8.14209  0.121466  66.3511      1.97699  66.3511      1.97699  66.3511      1.97699  8.14385  0.0858496 ?        ?         
1 1 1 22 22 13 o 5.93717  0.109397  35.2921      1.29802  35.2921      1.29802  35.2921      1.29802  5.93894  0.0773023 ?        ?         
1 1 1 22 22 14 f 9.47157  0.116557  89.7713      2.20721  89.7713      2.20721  89.7713      2.20721  9.47317  0.0823904 ?        ?         
1 1 1 22 22 15 o 1.55101  0.346817  2.74085      0.938029 2.74085      0.938029 2.74085      0.938029 1.61369  0.213907  ?        ?         
1 1 1 22 22 16 o 2.54627  0.200835  6.6096       1.00812  6.6096       1.00812  6.6096       1.00812  2.55887  0.140253  ?        ?         
1 1 1 22 22 17 o 13.138   0.145502  172.768      3.82215  172.768      3.82215  172.768      3.82215  13.1411  0.102847  ?        ?         
1 1 1 22 22 18 o 13.9879  0.164032  195.902      4.58748  195.902      4.58748  195.902      4.58748  13.9922  0.115934  ?        ?         
1 1 1 22 22 19 o 3.2874   0.170765  10.9053      1.11583  10.9053      1.11583  10.9053      1.11583  3.29492  0.120093  ?        ?         
1 1 1 22 22 20 f 5.53395  0.140436  30.71        1.55207  30.71        1.55207  30.71        1.55207  5.53781  0.0991612 ?        ?         
1 1 1 22 22 21 o 1.45127  0.374815  2.49532      0.938491 2.49532      0.938491 2.49532      0.938491 1.52695  0.23373   ?        ?         
1 1 1 22 22 22 o 8.79769  0.127634  77.525       2.24471  77.525       2.24471  77.525       2.24471  8.80125  0.090193  ?        ?         
1 1 1 22 22 23 o 1.81344  0.301867  3.5679       1.00342  3.5679       1.00342  3.5679       1.00342  1.85601  0.196154  ?        ?         
1 1 1 22 22 24 o 1.08396  0.448502  1.67062      0.96123  1.67062      0.96123  1.67062      0.96123  1.16733  0.336063  ?        ?         
1 1 1 22 22 25 o 9.52734  0.125906  90.9576      2.39815  90.9576      2.39815  90.9576      2.39815  9.53226  0.0889652 ?        ?         
1 1 1 22 22 26 o 0.418568 0.29752   -1.08352     0.975956 -1.08352     0.975956 -1.08352     0.975956 0.319748 0.23141   ?        ?         
1 1 1 22 22 27 o 1.00067  0.471134  1.50809      1.05387  1.50809      1.05387  1.50809      1.05387  1.05907  0.384165  ?        ?         
1 1 1 22 22 28 o 1.72619  0.346418  3.35818      1.06005  3.35818      1.06005  3.35818      1.06005  1.78841  0.216762  ?        ?         
1 1 1 22 22 29 o 1.70154  0.394809  3.38125      1.16727  3.38125      1.16727  3.38125      1.16727  1.78327  0.241239  ?        ?         
1 1 1 22 22 30 o 1.22326  0.495319  2.14948      1.17993  2.14948      1.17993  2.14948      1.17993  1.32839  0.363788  ?        ?         
1 1 1 22 22 31 o 2.09928  0.288492  4.72188      1.16055  4.72188      1.16055  4.72188      1.16055  2.13837  0.195649  ?        ?         
1 1 1 22 22 32 o 3.58692  0.196836  13.1077      1.40235  13.1077      1.40235  13.1077      1.40235  3.60383  0.138037  ?        ?         
1 1 1 22 22 33 o 2.16661  0.303854  5.07923      1.24365  5.07923      1.24365  5.07923      1.24365  2.2136   0.202532  ?        ?         
1 1 1 22 22 34 o 1.53854  0.5099    3.19665      1.3908   3.19665      1.3908   3.19665      1.3908   1.67573  0.330201  ?        ?         
1 1 1 22 22 35 o 0.528555 0.368688  -0.9536      1.34588  -0.9536      1.34588  -0.9536      1.34588  0.417338 0.296015  ?        ?         
1 1 1 22 22 36 o 1.30767  0.530882  2.58698      1.35439  2.58698      1.35439  2.58698      1.35439  1.44668  0.38403   ?        ?         
1 1 1 22 22 37 o 4.20127  0.188645  18.1082      1.57782  18.1082      1.57782  18.1082      1.57782  4.2284   0.13222   ?        ?         
1 1 1 22 22 38 o 1.36395  0.506326  2.76382      1.27837  2.76382      1.27837  2.76382      1.27837  1.51969  0.341317  ?        ?         
1 1 1 22 22 39 o 0.497983 0.352034  -1.00399     1.31602  -1.00399     1.31602  -1.00399     1.31602  0.396868 0.283935  ?        ?         
1 1 1 22 22 40 o 0.529625 0.369803  -0.703518    1.36086  -0.703518    1.36086  -0.703518    1.36086  0.432867 0.30472   ?        ?         
1 1 1 22 22 41 o 1.06705  0.573496  2.56939      1.66753  2.56939      1.66753  2.56939      1.66753  1.23188  0.494503  ?        ?         
1 1 1 22 22 42 o 0.668249 0.44759   0.653218     1.60723  0.653218     1.60723  0.653218     1.60723  0.633067 0.406882  ?        ?         
1 1 1 22 22 43 o 0.530716 0.37795   -0.617337    1.59636  -0.617337    1.59636  -0.617337    1.59636  0.453226 0.321677  ?        ?         
1 1 1 23 0  0  o 2.35532  0.11485   5.58797      0.538081 5.58797      0.538081 5.58797      0.538081 2.35964  0.0808377 ?        ?         
1 1 1 23 0  1  o 13.1282  0.128576  172.437      3.3752   172.437      3.3752   172.437      3.3752   13.1299  0.0908952 ?        ?         
1 1 1 23 0  2  o 19.8443  0.195443  394.116      7.75518  394.116      7.75518  394.116      7.75518  19.8483  0.138156  ?        ?         
1 1 1 23 0  3  f 13.6144  0.14307   185.465      3.89464  185.465      3.89464  185.465      3.89464  13.6165  0.101137  ?        ?         
1 1 1 23 0  4  o 5.50896  0.0735522 30.3671      0.810066 30.3671      0.810066 30.3671      0.810066 5.5098   0.0519908 ?        ?         
1 1 1 23 0  5  o 25.554   0.263455  653.849      13.4615  653.849      13.4615  653.849      13.4615  25.5622  0.186209  ?        ?         
1 1 1 23 0  6  o 5.63586  0.0745086 31.7819      0.839509 31.7819      0.839509 31.7819      0.839509 5.6367   0.0526672 ?        ?         
1 1 1 23 0  7  o 17.2044  0.17959   296.213      6.17796  296.213      6.17796  296.213      6.17796  17.2076  0.12695   ?        ?         
1 1 1 23 0  8  o 10.6445  0.112442  113.361      2.39317  113.361      2.39317  113.361      2.39317  10.6458  0.0794887 ?        ?         
1 1 1 23 0  9  o 4.49889  0.084659  20.2633      0.761135 20.2633      0.761135 20.2633      0.761135 4.50018  0.0598218 ?        ?         
1 1 1 23 0  10 o 12.3748  0.123272  153.209      3.05024  153.209      3.05024  153.209      3.05024  12.3763  0.087146  ?        ?         
1 1 1 23 0  11 o 5.17203  0.0950062 26.7796      0.982002 26.7796      0.982002 26.7796      0.982002 5.17347  0.0671352 ?        ?         
1 1 1 23 0  12 o 4.64343  0.0959415 21.5909      0.890138 21.5909      0.890138 21.5909      0.890138 4.64502  0.067785  ?        ?         
1 1 1 23 0  13 o 7.26512  0.0936915 52.8119      1.36085  52.8119      1.36085  52.8119      1.36085  7.26615  0.0662281 ?        ?         
1 1 1 23 0  14 o 24.5208  0.249757  601.732      12.2456  601.732      12.2456  601.732      12.2456  24.5255  0.176551  ?        ?         
1 1 1 23 0  15 o 6.07703  0.0995044 36.9627      1.20865  36.9627      1.20865  36.9627      1.20865  6.07836  0.0703235 ?        ?         
1 1 1 23 0  16 o 15.0391  0.156906  226.289      4.71829  226.289      4.71829  226.289      4.71829  15.041   0.110922  ?        ?         
1 1 1 23 0  17 o 19.8693  0.192341  395.029      7.64177  395.029      7.64177  395.029      7.64177  19.8723  0.135971  ?        ?         
1 1 1 23 0  18 o 9.03757  0.112413  81.7262      2.03117  81.7262      2.03117  81.7262      2.03117  9.03891  0.0794622 ?        ?         
1 1 1 23 0  19 o 10.8233  0.122978  117.208      2.66128  117.208      2.66128  117.208      2.66128  10.8248  0.0869342 ?        ?         
1 1 1 23 0  20 o 10.9431  0.148411  119.85       3.24682  119.85       3.24682  119.85       3.24682  10.9454  0.104899  ?        ?         
1 1 1 23 0  21 o 5.33173  0.135811  28.49        1.44609  28.49        1.44609  28.49        1.44609  5.33467  0.0959089 ?        ?         
1 1 1 23 0  22 o 1.88877  0.409507  4.0382       1.355    4.0382       1.355    4.0382       1.355    1.96073  0.253864  ?        ?         
1 1 1 23 0  23 o 13.0093  0.154532  169.404      4.01944  169.404      4.01944  169.404      4.01944  13.0124  0.109227  ?        ?         
1 1 1 23 0  24 o 8.55228  0.125492  73.2199      2.14545  73.2199      2.14545  73.2199      2.14545  8.55458  0.0886911 ?        ?         
1 1 1 23 0  25 o 6.80448  0.129564  46.3767      1.76179  46.3767      1.76179  46.3767      1.76179  6.80725  0.091541  ?        ?         
1 1 1 23 0  26 o 2.83652  0.244615  8.24333      1.36397  8.24333      1.36397  8.24333      1.36397  2.85427  0.170342  ?        ?         
1 1 1 23 0  27 o 9.07612  0.137193  82.5159      2.48908  82.5159      2.48908  82.5159      2.48908  9.07999  0.0969438 ?        ?         
1 1 1 23 0  28 o 1.06764  0.523819  1.71306      1.31747  1.71306      1.31747  1.71306      1.31747  1.11014  0.438247  ?        ?         
1 1 1 23 0  29 o 7.51928  0.134735  56.6732      2.02475  56.6732      2.02475  56.6732      2.02475  7.5237   0.0951814 ?        ?         
1 1 1 23 0  30 o 0.776828 0.455278  0.759602     1.16564  0.759602     1.16564  0.759602     1.16564  0.726913 0.39956   ?        ?         
1 1 1 23 0  31 o 1.05105  0.498663  1.66427      1.1829   1.66427      1.1829   1.66427      1.1829   1.10892  0.40879   ?        ?         
1 1 1 23 0  32 o 2.68969  0.254819  7.48844      1.3425   7.48844      1.3425   7.48844      1.3425   2.71385  0.176612  ?        ?         
1 1 1 23 0  33 f 1.50604  0.496514  2.96847      1.32331  2.96847      1.32331  2.96847      1.32331  1.62414  0.324854  ?        ?         
1 1 1 23 0  34 o 0.898483 0.501522  1.18787      1.32588  1.18787      1.32588  1.18787      1.32588  0.881218 0.440307  ?        ?         
1 1 1 23 0  35 o 3.32115  0.220447  11.2802      1.44947  11.2802      1.44947  11.2802      1.44947  3.34008  0.154177  ?        ?         
1 1 1 23 0  36 o 1.54391  0.49002   3.11501      1.32732  3.11501      1.32732  3.11501      1.32732  1.66759  0.314493  ?        ?         
1 1 1 23 0  37 o 1.98791  0.433648  4.63821      1.50877  4.63821      1.50877  4.63821      1.50877  2.08484  0.265536  ?        ?         
1 1 1 23 0  38 o 1.24407  0.565744  2.44883      1.51338  2.44883      1.51338  2.44883      1.51338  1.3567   0.446108  ?        ?         
1 1 1 23 0  39 o 0.641002 0.431859  -0.336242    1.53673  -0.336242    1.53673  -0.336242    1.53673  0.531713 0.359817  ?        ?         
1 1 1 23 0  40 o 0.58924  0.407055  -0.716347    1.519    -0.716347    1.519    -0.716347    1.519    0.47788  0.33237   ?        ?         
1 1 1 23 0  41 o 0.596891 0.408504  -0.454052    1.46273  -0.454052    1.46273  -0.454052    1.46273  0.492968 0.339032  ?        ?         
1 1 1 23 0  42 o 0.671377 0.446912  0.0997856    1.54437  0.0997856    1.54437  0.0997856    1.54437  0.583913 0.384031  ?        ?         
1 1 1 23 0  43 o 0.991332 0.540085  1.91736      1.4953   1.91736      1.4953   1.91736      1.4953   1.07338  0.473003  ?        ?         
1 1 1 23 0  44 o 0.936057 0.546236  1.92347      1.66644  1.92347      1.66644  1.92347      1.66644  1.00744  0.495209  ?        ?         
1 1 1 23 0  45 o 0.856423 0.530959  1.72992      1.76399  1.72992      1.76399  1.72992      1.76399  0.902872 0.492878  ?        ?         
1 1 1 23 0  46 o 0.649372 0.449503  0.499186     1.8674   0.499186     1.8674   0.499186     1.8674   0.608977 0.407334  ?        ?         
1 1 1 23 1  0  o 3.47603  0.0694389 12.0981      0.482309 12.0981      0.482309 12.0981      0.482309 3.47713  0.049063  ?        ?         
1 1 1 23 1  1  o 12.51    0.0942031 156.538      2.35697  157.472      3.31012  155.579      3.35687  12.5458  0.131922  12.47    0.134598  
1 1 1 23 1  2  o 16.5183  0.122809  272.967      4.05719  278.173      5.76882  267.872      5.70714  16.6717  0.173012  16.36    0.174424  
1 1 1 23 1  3  o 22.5944  0.164504  510.89       7.43374  512.336      10.5437  509.461      10.4823  22.6178  0.233084  22.5544  0.232379  
1 1 1 23 1  4  o 16.2699  0.119836  264.817      3.89944  263.236      5.48561  266.432      5.54413  16.2181  0.16912   16.3162  0.169897  
1 1 1 23 1  5  o 9.53433  0.0705095 90.9161      1.34452  90.2815      1.87104  91.5937      1.93337  9.50038  0.098472  9.5691   0.101022  
1 1 1 23 1  6  o 11.5161  0.0846644 132.647      1.95001  132.711      2.72492  132.58       2.79176  11.5178  0.118291  11.512   0.121254  
1 1 1 23 1  7  o 9.81162  0.0745094 96.2818      1.46212  99.4905      2.10244  93.2766      2.03471  9.97304  0.105406  9.65658  0.105354  
1 1 1 23 1  8  o 10.6931  0.0790068 114.361      1.68966  114.025      2.36414  114.711      2.41577  10.6766  0.110716  10.7086  0.112796  
1 1 1 23 1  9  o 5.09434  0.0590282 25.9545      0.601419 26.1066      0.866788 25.8132      0.835163 5.10901  0.0848294 5.08025  0.082197  
1 1 1 23 1  10 o 5.46497  0.0574232 29.8682      0.627632 29.9149      0.894795 29.8229      0.880586 5.46902  0.0818058 5.46061  0.0806307 
1 1 1 23 1  11 o 16.2087  0.113402  262.793      3.67622  263.463      5.20995  262.128      5.18804  16.2272  0.160532  16.186   0.160263  
1 1 1 23 1  12 o 12.8896  0.0968106 166.169      2.4957   167.956      3.60721  164.529      3.45652  12.9575  0.139194  12.8248  0.134759  
1 1 1 23 1  13 o 5.03643  0.0706698 25.3676      0.711847 25.2362      1.04753  25.4803      0.970309 5.02313  0.10427   5.04744  0.096119  
1 1 1 23 1  14 f 20.2338  0.147206  409.539      5.95709  410.351      8.65442  408.807      8.21217  20.2502  0.213687  20.2127  0.203143  
1 1 1 23 1  15 o 6.22082  0.0690786 38.7013      0.859451 38.5406      1.21202  38.8639      1.2189   6.20765  0.0976232 6.23364  0.0977681 
1 1 1 23 1  16 o 19.2224  0.139143  369.613      5.34931  365.382      7.56485  373.846      7.56529  19.109   0.19794   19.3292  0.195696  
1 1 1 23 1  17 f 12.0053  0.0898936 144.15       2.15841  144.808      3.05948  143.497      3.04547  12.0318  0.127141  11.9772  0.127136  
1 1 1 23 1  18 o 6.55722  0.073965  43.002       0.97001  42.3621      1.35701  43.6706      1.38708  6.50788  0.104259  6.60762  0.104961  
1 1 1 23 1  19 o 9.22308  0.0826029 85.0779      1.52371  86.0731      2.18383  84.1338      2.12699  9.27614  0.117712  9.17109  0.115962  
1 1 1 23 1  20 o 19.1211  0.157504  365.841      6.02329  361.794      8.43206  370.058      8.60707  19.0091  0.22179   19.2248  0.223853  
1 1 1 23 1  21 o 5.32704  0.0940273 28.3845      1.00177  28.6958      1.41547  28.0722      1.41798  5.35549  0.132151  5.29694  0.133849  
1 1 1 23 1  22 f 20.9253  0.172299  438.319      7.21081  437.68       10.1895  438.96       10.2058  20.8991  0.243779  20.9296  0.243811  
1 1 1 23 1  23 o 14.2885  0.111905  204.279      3.19791  202.174      4.43685  206.555      4.61336  14.2108  0.156108  14.3635  0.160593  
1 1 1 23 1  24 o 5.85772  0.0934032 34.3295      1.09426  34.2949      1.55335  34.3635      1.54174  5.85333  0.13269   5.85923  0.131565  
1 1 1 23 1  25 o 9.68073  0.0928575 93.771       1.79786  91.3028      2.53994  96.2495      2.54517  9.54948  0.132989  9.80503  0.129789  
1 1 1 23 1  26 o 11.1166  0.100748  123.688      2.23994  124.132      3.15244  123.236      3.18331  11.1317  0.141597  11.0912  0.143506  
1 1 1 23 1  27 o 4.92737  0.111139  24.3119      1.09525  24.3491      1.54525  24.2743      1.55261  4.92783  0.156788  4.92018  0.15778   
1 1 1 23 1  28 o 8.64699  0.0967151 74.8645      1.67259  75.3772      2.44721  74.415       2.29128  8.67039  0.141124  8.61617  0.132964  
1 1 1 23 1  29 o 1.95384  0.228615  3.84917      0.893354 4.57798      1.24808  3.08346      1.27928  2.12498  0.29367   1.70324  0.384613  
1 1 1 23 1  30 f 1.80261  0.235851  3.28435      0.850296 2.18002      1.20048  4.39613      1.20453  1.43328  0.402394  2.07993  0.28956   
1 1 1 23 1  31 o 2.47725  0.174553  6.17848      0.864824 6.42426      1.22333  5.93293      1.22276  2.51817  0.242901  2.41867  0.252775  
1 1 1 23 1  32 o 2.70437  0.175373  7.37592      0.948545 6.41204      1.3343   8.36071      1.3487   2.50796  0.266014  2.86982  0.23498   
1 1 1 23 1  33 o 1.21501  0.356691  1.5671       0.922964 1.31318      1.32105  1.80924      1.29004  1.19346  0.430863  1.31793  0.428197  
1 1 1 23 1  34 o 1.65488  0.308538  2.9147       0.983164 2.75338      1.37608  3.08291      1.40519  1.58042  0.42575   1.67155  0.420405  
1 1 1 23 1  35 o 0.920835 0.356649  0.616716     0.937905 0.286149     1.30364  0.971423     1.3504   0.959449 0.402461  1.11045  0.428392  
1 1 1 23 1  36 o 2.66136  0.186166  7.20764      0.990911 5.97814      1.44395  8.30205      1.36232  2.39018  0.30206   2.84007  0.23984   
1 1 1 23 1  37 o 1.83037  0.280334  3.50682      1.02623  2.65836      1.45909  4.3374       1.44365  1.52015  0.449182  1.97377  0.379238  
1 1 1 23 1  38 o 1.57087  0.357977  2.77971      1.1      3.39694      1.61504  2.24561      1.50233  1.68834  0.464123  1.39681  0.462088  
1 1 1 23 1  39 o 1.60165  0.357583  2.90827      1.11616  2.99324      1.62483  2.83235      1.53589  1.57238  0.475996  1.53654  0.462314  
1 1 1 23 1  40 o 1.75882  0.332773  3.49706      1.12798  5.28175      1.53001  1.37206      1.66952  2.1746   0.35179   1.18564  0.471391  
1 1 1 23 1  41 o 0.747279 0.333839  -0.137718    1.02283  1.08464      1.45528  -1.33103     1.43788  1.07049  0.434362  0.733797 0.350664  
1 1 1 23 1  42 o 1.91067  0.287379  4.10215      1.09817  4.19278      1.55975  4.01306      1.54643  1.77759  0.440422  1.73383  0.444016  
1 1 1 23 1  43 o 1.36884  0.37831   2.46993      1.06953  2.4044       1.50907  2.53607      1.51605  1.2755   0.460503  1.30473  0.462507  
1 1 1 23 1  44 o 0.815298 0.361489  0.428266     1.17608  1.98422      1.67185  -1.096       1.65474  1.10205  0.458621  0.741446 0.359096  
1 1 1 23 1  45 o 1.32105  0.422359  2.94159      1.25866  3.0331       1.79375  2.85282      1.76659  1.18832  0.48221   1.16318  0.476338  
1 1 1 23 1  46 o 0.691081 0.331397  -0.188262    1.31262  -0.144885    1.83483  -0.233732    1.87859  0.755617 0.368891  0.754621 0.369503  
1 1 1 23 2  0  o 4.05158  0.0677808 16.4302      0.548893 16.4302      0.548893 16.4302      0.548893 4.0525   0.0479023 ?        ?         
1 1 1 23 2  1  o 2.18018  0.0643243 4.75372      0.280477 4.71564      0.398954 4.79094      0.394393 2.1713   0.09187   2.18857  0.0901026 
1 1 1 23 2  2  o 3.2942   0.0504502 10.8525      0.332386 11.024       0.473899 10.6864      0.466322 3.32001  0.07137   3.26878  0.0713298 
1 1 1 23 2  3  o 15.1466  0.113226  229.502      3.42997  230.356      4.80647  228.616      4.89619  15.1722  0.158398  15.1145  0.16197   
1 1 1 23 2  4  o 9.75286  0.0721032 95.132       1.40642  94.5306      1.93301  95.8086      2.05013  9.72134  0.0994207 9.78669  0.104741  
1 1 1 23 2  5  o 12.7121  0.0911696 161.633      2.31791  161.748      3.2076   161.507      3.35328  12.7153  0.126132  12.7055  0.131962  
1 1 1 23 2  6  o 6.33878  0.0547156 40.1833      0.69366  40.8192      1.00295  39.6003      0.960403 6.38847  0.0784967 6.29239  0.0763146 
1 1 1 23 2  7  o 5.75389  0.054024  33.1097      0.621697 33.5807      0.888068 32.6571      0.870615 5.79445  0.076631  5.71421  0.0761798 
1 1 1 23 2  8  o 14.653   0.103631  214.768      3.03702  214.405      4.24827  215.147      4.34329  14.6387  0.145104  14.6639  0.148095  
1 1 1 23 2  9  o 4.8612   0.0586518 23.6332      0.570236 23.3352      0.804825 23.9336      0.808055 4.83025  0.0833109 4.89179  0.082593  
1 1 1 23 2  10 o 10.2153  0.0752404 104.365      1.5372   103.741      2.16552  104.999      2.18244  10.184   0.10632   10.2456  0.106507  
1 1 1 23 2  11 o 5.37754  0.0623346 28.9201      0.670413 29.4061      0.984848 28.5005      0.915194 5.42229  0.0908147 5.3382   0.0857212 
1 1 1 23 2  12 o 30.5169  0.20766   931.956      12.6743  924.408      17.7921  939.732      18.0591  30.3818  0.292809  30.6322  0.294773  
1 1 1 23 2  13 o 12.6545  0.0959486 160.157      2.42836  159.9        3.3891   160.429      3.48118  12.6434  0.134026  12.6642  0.137441  
1 1 1 23 2  14 o 15.4286  0.109992  238.084      3.39403  239.112      4.92447  237.155      4.68431  15.4603  0.159262  15.3971  0.152116  
1 1 1 23 2  15 o 13.3974  0.100375  179.518      2.68954  179.421      3.80111  179.614      3.80606  13.3928  0.141909  13.4     0.142018  
1 1 1 23 2  16 f 8.99744  0.0812266 80.9626      1.46166  82.1959      1.9593   79.4149      2.19492  9.06532  0.108065  8.91038  0.123166  
1 1 1 23 2  17 o 14.3439  0.110532  205.796      3.17094  214.421      4.74882  198.857      4.25972  14.6394  0.162193  14.0986  0.151069  
1 1 1 23 2  18 o 9.49576  0.0836308 90.1826      1.58827  92.8887      2.28299  87.6443      2.21106  9.63646  0.118456  9.36048  0.118106  
1 1 1 23 2  19 o 16.7738  0.12118   281.451      4.06527  278.736      5.68873  284.285      5.81156  16.6899  0.170424  16.8551  0.172398  
1 1 1 23 2  20 o 26.5569  0.206881  706.044      10.9882  707.714      15.5771  704.39       15.5027  26.5734  0.293095  26.511   0.292381  
1 1 1 23 2  21 o 7.63282  0.08602   58.2728      1.31315  58.6597      1.86321  57.8909      1.851    7.65727  0.121663  7.60693  0.121665  
1 1 1 23 2  22 o 12.8762  0.119582  165.883      3.07953  165.287      4.32832  166.494      4.38241  12.8497  0.168421  12.8964  0.169908  
1 1 1 23 2  23 o 10.9365  0.0974097 119.66       2.13064  121.981      3.07119  117.507      2.95834  11.0394  0.139101  10.8353  0.136514  
1 1 1 23 2  24 o 2.46314  0.176481  6.0779       0.869395 5.5213       1.21654  6.65887      1.2429   2.34523  0.259365  2.57619  0.241228  
1 1 1 23 2  25 o 6.44969  0.0927611 41.6235      1.19656  41.5469      1.6935   41.6999      1.69089  6.44175  0.131447  6.45362  0.131003  
1 1 1 23 2  26 o 12.5766  0.106862  158.335      2.68791  160.181      3.7729   156.432      3.8303   12.6434  0.149204  12.4939  0.153287  
1 1 1 23 2  27 o 4.66021  0.115066  21.7498      1.07247  20.8068      1.47517  22.8069      1.56194  4.55474  0.161938  4.76848  0.163777  
1 1 1 23 2  28 o 4.24672  0.120917  18.071       1.027    18.3248      1.46503  17.8257      1.44009  4.27208  0.171465  4.21356  0.170888  
1 1 1 23 2  29 o 2.39539  0.186122  5.77036      0.891669 5.68396      1.23496  5.86446      1.28878  2.37089  0.260442  2.40749  0.267661  
1 1 1 23 2  30 o 3.83409  0.122936  14.7442      0.942695 13.8962      1.31773  15.6331      1.34917  3.71626  0.177293  3.9425   0.171106  
1 1 1 23 2  31 o 1.41149  0.310059  2.11335      0.851508 1.82737      1.19024  2.41317      1.2187   1.32399  0.408737  1.49972  0.399158  
1 1 1 23 2  32 o 1.77817  0.264647  3.22429      0.941174 3.41501      1.31322  3.02285      1.34957  1.78058  0.379957  1.66826  0.407437  
1 1 1 23 2  33 o 1.77185  0.261242  3.20954      0.925761 3.64793      1.31176  2.77451      1.3067   1.83949  0.36956   1.59227  0.40838   
1 1 1 23 2  34 o 2.22499  0.22735   5.04212      1.0117   5.11241      1.44443  4.97443      1.41747  2.21895  0.325476  2.18924  0.323736  
1 1 1 23 2  35 o 1.59303  0.311562  2.71836      0.957254 2.35155      1.30421  3.14674      1.40943  1.46078  0.422464  1.68226  0.419797  
1 1 1 23 2  36 o 2.384    0.203816  5.80559      0.971793 5.75372      1.38385  5.85605      1.36499  2.34638  0.294891  2.3695   0.288033  
1 1 1 23 2  37 o 0.871118 0.360394  0.344971     1.02298  0.164865     1.44534  0.525763     1.44809  0.963108 0.414541  1.02605  0.4269    
1 1 1 23 2  38 o 1.26494  0.397141  1.80584      1.11735  0.578086     1.60357  2.96445      1.55776  1.06006  0.445592  1.57794  0.463444  
1 1 1 23 2  39 o 1.64708  0.351184  3.06719      1.12263  3.04973      1.54884  3.08651      1.62949  1.58977  0.460581  1.59321  0.475553  
1 1 1 23 2  40 f 2.49987  0.22647   6.56395      1.13229  6.91551      1.51962  6.12512      1.69777  2.52021  0.301486  2.32832  0.36459   
1 1 1 23 2  41 o 1.716    0.318402  3.38217      1.05179  2.71847      1.47543  4.06798      1.49978  1.44312  0.45687   1.80074  0.423137  
1 1 1 23 2  42 o 0.788102 0.348897  0.066496     1.08997  -0.211728    1.53748  0.347605     1.54544  0.861945 0.39427   0.936219 0.414834  
1 1 1 23 2  43 o 0.794945 0.34663   0.293063     1.03595  -0.446727    1.42666  1.1182       1.50671  0.785196 0.367161  1.01599  0.429725  
1 1 1 23 2  44 o 2.70011  0.23448   8.32038      1.26624  8.47974      1.80466  8.16584      1.77713  2.52946  0.356729  2.47937  0.358383  
1 1 1 23 2  45 o 0.83634  0.372186  0.796026     1.26037  1.33261      1.79782  0.27742      1.76744  0.931278 0.426135  0.824676 0.392625  
1 1 1 23 2  46 o 0.670921 0.323454  -0.375061    1.29265  -0.977918    1.81708  0.242613     1.83928  0.703954 0.348232  0.78471  0.379795  
1 1 1 23 3  0  o 2.99673  0.0753555 8.99812      0.450995 8.99812      0.450995 8.99812      0.450995 2.99821  0.0532198 ?        ?         
1 1 1 23 3  1  o 4.94929  0.049561  24.4971      0.490584 24.7364      0.702307 24.2691      0.685576 4.97323  0.0706088 4.92603  0.069587  
1 1 1 23 3  2  o 11.838   0.0857962 140.168      2.03132  141.9        2.8747   138.442      2.87074  11.9097  0.120687  11.7637  0.122017  
1 1 1 23 3  3  o 3.7659   0.0483137 14.1829      0.363889 14.1882      0.504435 14.1771      0.525441 3.76649  0.0669635 3.765    0.0697797 
1 1 1 23 3  4  o 8.15326  0.0642343 66.483       1.04744  66.306       1.4453   66.6788      1.52013  8.14198  0.0887561 8.16475  0.0930912 
1 1 1 23 3  5  o 3.11299  0.0550756 9.6915       0.3429   8.95195      0.460137 10.6151      0.514226 2.99175  0.0769011 3.25782  0.0789218 
1 1 1 23 3  6  o 3.67012  0.0545806 13.4708      0.400635 13.9318      0.556759 12.9758      0.576948 3.73226  0.0745873 3.6019   0.0800894 
1 1 1 23 3  7  o 4.75557  0.0540241 22.6171      0.513831 22.7984      0.724409 22.4335      0.728946 4.77442  0.0758635 4.73605  0.0769572 
1 1 1 23 3  8  o 15.5475  0.109507  241.795      3.40511  244.675      4.82129  238.929      4.80983  15.6375  0.154158  15.4527  0.155631  
1 1 1 23 3  9  o 12.0047  0.0885346 144.139      2.12566  145.327      3.1004   143.086      2.91998  12.0528  0.128618  11.9597  0.122076  
1 1 1 23 3  10 o 15.7773  0.11172   248.991      3.52529  248.445      5.03596  249.516      4.93654  15.7577  0.159793  15.7919  0.1563    
1 1 1 23 3  11 o 9.18501  0.0765628 84.3735      1.40646  84.9774      1.9346   83.6965      2.04834  9.21737  0.104943  9.14751  0.111962  
1 1 1 23 3  12 o 13.0459  0.0933944 170.219      2.43682  172.08       3.51494  168.496      3.38132  13.116   0.133994  12.9788  0.130263  
1 1 1 23 3  13 o 3.62578  0.0811408 13.1475      0.588396 14.5221      0.877198 12.0232      0.793343 3.81041  0.115105  3.46711  0.11441   
1 1 1 23 3  14 o 13.6193  0.0976003 185.513      2.6585   181.712      3.73371  189.421      3.78623  13.4781  0.13851   13.7611  0.13757   
1 1 1 23 3  15 o 11.3809  0.0913639 129.541      2.07961  129.805      2.94475  129.279      2.93728  11.3917  0.129249  11.3686  0.129184  
1 1 1 23 3  16 o 32.885   0.219646  1082.31      14.4461  1080.06      20.3623  1084.58      20.4982  32.8371  0.31005   32.9055  0.311471  
1 1 1 23 3  17 o 12.0814  0.0930546 145.986      2.24846  149.287      3.22432  142.861      3.13708  12.2162  0.13197   11.9504  0.131254  
1 1 1 23 3  18 o 23.0907  0.15849   533.463      7.31926  542.152      10.3875  524.895      10.3149  23.2718  0.223178  22.8982  0.225234  
1 1 1 23 3  19 o 3.10166  0.123001  9.62364      0.763014 8.8925       1.05587  10.4227      1.10385  2.98094  0.177104  3.22733  0.171016  
1 1 1 23 3  20 o 7.8934   0.0937974 62.3202      1.48076  63.7672      2.10683  60.9077      2.08162  7.98358  0.131948  7.80248  0.133395  
1 1 1 23 3  21 o 12.8344  0.106475  164.78       2.73308  164.867      3.85537  164.691      3.87502  12.8356  0.150183  12.8287  0.151029  
1 1 1 23 3  22 o 18.01    0.143701  324.62       5.17611  326.683      7.33834  322.577      7.30206  18.0599  0.203167  17.946   0.203445  
1 1 1 23 3  23 o 9.3188   0.0955398 86.8788      1.78063  88.1517      2.58435  85.7284      2.45687  9.38455  0.137692  9.25497  0.132733  
1 1 1 23 3  24 o 9.14961  0.0904254 83.7559      1.65471  83.8749      2.31335  83.6312      2.36784  9.15399  0.126358  9.14045  0.129525  
1 1 1 23 3  25 o 10.5193  0.0958108 110.729      2.01572  112.036      2.85581  109.432      2.84555  10.5776  0.134993  10.4539  0.136101  
1 1 1 23 3  26 o 6.26412  0.0957617 39.2739      1.19973  39.6761      1.65266  38.8258      1.7444   6.2937   0.131295  6.22518  0.140108  
1 1 1 23 3  27 o 3.36358  0.142542  11.3401      0.958904 10.7642      1.37834  11.8802      1.33489  3.27252  0.210593  3.4393   0.194065  
1 1 1 23 3  28 o 2.31135  0.193139  5.37045      0.892826 4.84886      1.28952  5.85072      1.23739  2.18861  0.294598  2.4076   0.256975  
1 1 1 23 3  29 o 1.16331  0.337978  1.4079       0.832864 1.27641      1.14487  1.5557       1.21384  1.16615  0.403024  1.25524  0.415358  
1 1 1 23 3  30 o 0.952869 0.343972  0.78276      0.841928 0.313135     1.16744  1.29172      1.21534  0.936939 0.386048  1.18025  0.414534  
1 1 1 23 3  31 o 2.80636  0.160903  7.92362      0.903102 8.34644      1.26684  7.48672      1.28777  2.87266  0.2205    2.71833  0.236867  
1 1 1 23 3  32 o 2.40658  0.202875  5.86009      0.976472 6.16798      1.33471  5.5055       1.43234  2.45785  0.271519  2.31502  0.309357  
1 1 1 23 3  33 o 1.26332  0.36242   1.71002      0.963641 3.19682      1.43603  0.492071     1.29973  1.70447  0.422772  1.00323  0.40933   
1 1 1 23 3  34 o 1.58172  0.312759  2.67282      0.954189 1.74884      1.33335  3.64277      1.36611  1.30081  0.435324  1.82789  0.385688  
1 1 1 23 3  35 o 2.89905  0.172163  8.51072      0.998217 7.58252      1.35443  9.61435      1.47689  2.71763  0.249193  3.0627   0.24111   
1 1 1 23 3  36 o 1.73822  0.270509  3.13894      0.940407 1.98506      1.33016  4.29204      1.32971  1.34438  0.434631  2.01403  0.330112  
1 1 1 23 3  37 o 1.17067  0.377329  1.48332      1.0031   2.60514      1.42492  0.381224     1.41234  1.50383  0.443743  0.989949 0.417248  
1 1 1 23 3  38 o 1.43113  0.380439  2.34849      1.10791  1.20288      1.55742  3.52219      1.5764   1.1622   0.457423  1.71906  0.452352  
1 1 1 23 3  39 f 2.38298  0.236219  5.93691      1.12581  5.80933      1.55218  6.07852      1.63534  2.30626  0.336516  2.35245  0.347582  
1 1 1 23 3  40 o 1.14801  0.389632  1.5043       1.06814  0.95776      1.46922  2.11702      1.55563  1.06975  0.435625  1.32298  0.468552  
1 1 1 23 3  41 o 1.03147  0.379385  1.16425      1.02839  0.627838     1.46047  1.69177      1.44833  0.987004 0.42049   1.19289  0.448065  
1 1 1 23 3  42 o 2.17011  0.258155  5.20179      1.12045  5.93863      1.61565  4.51908      1.55518  2.2161   0.364527  1.85177  0.428141  
1 1 1 23 3  43 o 0.768121 0.339472  0.161783     1.02595  -1.21235     1.40577  1.72778      1.50071  0.7027   0.338415  1.12442  0.446965  
1 1 1 23 3  44 o 0.880134 0.374728  0.860056     1.15861  0.299917     1.64031  1.41775      1.63673  0.859515 0.398717  1.00026  0.43593   
1 1 1 23 3  45 o 0.667398 0.320388  -0.464623    1.23525  1.15481      1.77004  -2.00208     1.72466  0.893628 0.414403  0.653581 0.325883  
1 1 1 23 3  46 o 0.755305 0.351618  0.481134     1.29019  1.12098      1.83975  -0.138066    1.80982  0.846884 0.401953  0.748202 0.365498  
1 1 1 23 4  0  o 1.25082  0.154833  1.63578      0.373951 1.63578      0.373951 1.63578      0.373951 1.26569  0.106178  ?        ?         
1 1 1 23 4  1  o 4.43269  0.0473142 19.6499      0.419458 19.6865      0.585261 19.6113      0.601478 4.43668  0.0659572 4.42818  0.0679147 
1 1 1 23 4  2  o 3.87067  0.0475341 14.983       0.367978 15.774       0.531005 14.2522      0.510404 3.97141  0.0668535 3.77497  0.0676038 
1 1 1 23 4  3  o 14.528   0.101425  211.122      2.94701  210.39       4.20026  211.831      4.13588  14.5007  0.14483   14.5505  0.142122  
1 1 1 23 4  4  o 12.9934  0.0908394 168.866      2.36063  171.132      3.3776   166.702      3.30059  13.0788  0.129125  12.9085  0.127846  
1 1 1 23 4  5  o 13.3741  0.0934764 178.906      2.50032  175.715      3.4794   182.313      3.59542  13.2528  0.131271  13.4992  0.133171  
1 1 1 23 4  6  o 8.49942  0.067502  72.2485      1.14746  71.8988      1.61833  72.602       1.6272   8.47834  0.0954393 8.51969  0.0954963 
1 1 1 23 4  7  o 5.0947   0.055176  25.9579      0.562211 27.2839      0.795779 24.6365      0.794394 5.22303  0.0761799 4.96312  0.0800297 
1 1 1 23 4  8  o 6.59055  0.0595282 43.439       0.784647 43.6871      1.10176  43.1837      1.11773  6.60906  0.0833521 6.57086  0.085052  
1 1 1 23 4  9  o 8.9415   0.0787086 79.9618      1.40755  76.4651      1.97895  83.5419      2.0024   8.74311  0.113172  9.13884  0.109554  
1 1 1 23 4  10 o 21.4252  0.147163  459.239      6.306    459.992      8.93645  458.492      8.89971  21.438   0.208426  21.4031  0.207908  
1 1 1 23 4  11 o 5.83072  0.0605818 33.9995      0.706472 34.2702      1.03063  33.7595      0.970302 5.85368  0.0880327 5.80994  0.0835036 
1 1 1 23 4  12 o 8.89473  0.0753603 79.1232      1.34062  79.0483      1.89364  79.1984      1.89821  8.89012  0.106503  8.89855  0.106658  
1 1 1 23 4  13 o 8.37955  0.0735723 70.2225      1.23301  70.8472      1.80318  69.6738      1.68981  8.41636  0.107123  8.34645  0.101229  
1 1 1 23 4  14 o 14.9679  0.108353  224.079      3.24365  228.491      4.83917  220.479      4.37092  15.113   0.1601    14.8461  0.147208  
1 1 1 23 4  15 o 8.77618  0.0856287 77.0299      1.50299  76.2434      2.21491  77.7011      2.04619  8.73065  0.126847  8.8139   0.116078  
1 1 1 23 4  16 o 6.14457  0.0728033 37.7593      0.89469  38.3124      1.24688  37.1723      1.28453  6.18914  0.100731  6.0963   0.105353  
1 1 1 23 4  17 o 6.1985   0.0750846 38.4258      0.930823 38.8233      1.30861  38.0187      1.3243   6.23013  0.105022  6.16521  0.107401  
1 1 1 23 4  18 o 12.9227  0.0965838 167.03       2.49625  162.491      3.44138  172.069      3.62633  12.7447  0.135012  13.1148  0.138253  
1 1 1 23 4  19 o 7.56457  0.0856183 57.2327      1.29533  57.5265      1.79487  56.9135      1.87127  7.58335  0.118343  7.54271  0.124045  
1 1 1 23 4  20 o 3.52081  0.125323  12.4015      0.882478 13.4329      1.27209  11.4446      1.22525  3.66357  0.173613  3.38145  0.181172  
1 1 1 23 4  21 o 5.63746  0.10073   31.7912      1.13572  31.8945      1.70273  31.7084      1.52433  5.64548  0.150805  5.62938  0.135391  
1 1 1 23 4  22 o 6.90225  0.0939085 47.6583      1.29636  47.0024      1.80396  48.3587      1.86418  6.85337  0.131611  6.95145  0.134085  
1 1 1 23 4  23 o 7.80871  0.0889641 61.0005      1.38939  61.163       1.96219  60.8371      1.96761  7.81755  0.125499  7.79666  0.126183  
1 1 1 23 4  24 o 2.3726   0.181491  5.64062      0.861213 5.51186      1.22951  5.76466      1.20669  2.34275  0.262406  2.39628  0.251785  
1 1 1 23 4  25 o 3.32293  0.136867  11.0575      0.9096   11.2794      1.27533  10.8278      1.2977   3.35383  0.19013   3.28565  0.19748   
1 1 1 23 4  26 o 3.10042  0.144094  9.63303      0.893501 8.74353      1.2406   10.5917      1.28794  2.95034  0.210246  3.24802  0.198264  
1 1 1 23 4  27 o 4.84932  0.110734  23.5503      1.07397  23.0081      1.53856  24.0655      1.49983  4.78929  0.160625  4.8988   0.153082  
1 1 1 23 4  28 o 5.39833  0.103616  29.1871      1.1187   28.0627      1.56703  30.3557      1.59758  5.289    0.148141  5.50118  0.145203  
1 1 1 23 4  29 o 0.645817 0.294002  -0.519905    0.838061 -0.845234    1.128    -0.119069    1.25208  0.726641 0.334602  0.88676  0.3838    
1 1 1 23 4  30 o 3.50902  0.132422  12.3574      0.929345 13.6475      1.30737  11.0396      1.32133  3.68246  0.177513  3.30919  0.199645  
1 1 1 23 4  31 o 4.96347  0.106964  24.7044      1.06183  24.5147      1.48478  24.903       1.51911  4.93772  0.15035   4.97626  0.152635  
1 1 1 23 4  32 o 3.37937  0.14988   11.4953      1.013    10.6562      1.40752  12.3969      1.45905  3.24223  0.217061  3.49885  0.208504  
1 1 1 23 4  33 o 0.722802 0.324553  -0.400308    0.977682 -1.05397     1.47295  0.114477     1.30715  0.822635 0.380157  0.933725 0.3978    
1 1 1 23 4  34 o 4.37912  0.127054  19.2932      1.11277  20.2653      1.58249  18.3424      1.56503  4.47531  0.176802  4.25567  0.183876  
1 1 1 23 4  35 o 1.01295  0.365338  0.947699     0.949586 0.570277     1.34571  1.32201      1.34015  1.02179  0.416639  1.18527  0.433368  
1 1 1 23 4  36 o 3.94381  0.134323  15.7074      1.05949  16.0286      1.50352  15.3906      1.49323  3.96457  0.18962   3.88381  0.192237  
1 1 1 23 4  37 o 1.81168  0.277727  3.43946      1.0063   3.03729      1.38196  3.89339      1.46821  1.62426  0.421753  1.84883  0.408004  
1 1 1 23 4  38 o 2.18837  0.260377  5.0316       1.1396   4.13317      1.5636   6.0496       1.6644   1.88023  0.425647  2.35234  0.353776  
1 1 1 23 4  39 o 3.03834  0.196882  9.53433      1.19639  8.3305       1.71723  10.6698      1.66775  2.77638  0.309258  3.17536  0.262608  
1 1 1 23 4  40 o 1.19743  0.389754  1.68053      1.06881  3.02791      1.48981  0.251645     1.5342   1.55051  0.452532  0.961277 0.420468  
1 1 1 23 4  41 o 2.28872  0.228563  5.5845       1.04623  4.16569      1.47413  7.02457      1.48513  1.82793  0.412931  2.51484  0.295272  
1 1 1 23 4  42 o 0.726478 0.329597  -0.187589    1.03434  -0.212207    1.50461  -0.165532    1.42426  0.847774 0.388724  0.835112 0.381005  
1 1 1 23 4  43 o 2.1341   0.253629  5.12638      1.08254  4.70409      1.49267  5.59494      1.57231  1.8641   0.411401  2.05972  0.395803  
1 1 1 23 4  44 o 0.790736 0.354259  0.359858     1.15908  0.40744      1.62253  0.310272     1.65636  0.86438  0.399274  0.857757 0.398961  
1 1 1 23 4  45 o 0.573839 0.285264  -1.71977     1.27329  -2.82116     1.7759   -0.554628    1.82657  0.619647 0.312358  0.748371 0.365953  
1 1 1 23 4  46 o 0.700744 0.334121  0.0487187    1.28688  1.01472      1.81866  -0.919971    1.82119  0.827236 0.395091  0.694788 0.344806  
1 1 1 23 5  0  o 1.09754  0.189103  1.30719      0.378113 1.30719      0.378113 1.30719      0.378113 1.12368  0.122275  ?        ?         
1 1 1 23 5  1  o 9.44433  0.0676294 89.2063      1.27743  88.8635      1.82063  89.5387      1.7928   9.42556  0.0965796 9.46134  0.0947435 
1 1 1 23 5  2  o 3.058    0.0527082 9.35204      0.322363 9.97676      0.482079 8.84676      0.433553 3.15836  0.076318  2.97414  0.0728871 
1 1 1 23 5  3  o 5.7665   0.0503191 33.2547      0.580329 33.2606      0.826595 33.2489      0.814948 5.76681  0.0716683 5.76581  0.0706708 
1 1 1 23 5  4  f 16.2186  0.109316  263.123      3.54589  261.647      4.98746  264.631      5.0423   16.1705  0.154215  16.2624  0.155029  
1 1 1 23 5  5  o 8.20837  0.0670429 67.3849      1.10063  65.8705      1.52913  69.013       1.58544  8.11515  0.0942147 8.30644  0.0954341 
1 1 1 23 5  6  o 15.0965  0.107235  227.969      3.23774  231.532      4.64083  224.591      4.51931  15.2118  0.152541  14.9821  0.150823  
1 1 1 23 5  7  o 6.57086  0.0596581 43.1799      0.784011 44.5593      1.11431  41.8276      1.10329  6.67471  0.0834725 6.46686  0.0853035 
1 1 1 23 5  8  o 9.11742  0.0731386 83.1378      1.33367  82.9504      1.84909  83.341       1.92541  9.10659  0.101525  9.12792  0.105468  
1 1 1 23 5  9  o 13.5331  0.100502  183.185      2.7202   182.794      3.84534  183.576      3.84855  13.5172  0.142239  13.5461  0.142054  
1 1 1 23 5  10 o 19.9628  0.136189  398.649      5.43742  403.556      7.70345  393.778      7.67598  20.0817  0.191802  19.8368  0.193478  
1 1 1 23 5  11 o 18.1483  0.126074  329.446      4.57607  330.556      6.35658  328.253      6.59296  18.1765  0.174857  18.1127  0.181998  
1 1 1 23 5  12 o 24.4822  0.17348   599.644      8.49434  595.936      12.0951  603.253      11.9322  24.4006  0.247844  24.5504  0.243015  
1 1 1 23 5  13 o 8.59024  0.0722003 73.7979      1.24044  74.2946      1.74826  73.2944      1.76028  8.61877  0.101422  8.56053  0.102814  
1 1 1 23 5  14 o 13.5511  0.100773  183.661      2.73117  183.922      3.87018  183.402      3.85479  13.5597  0.142709  13.5405  0.142343  
1 1 1 23 5  15 o 1.5644   0.166297  2.44844      0.520312 1.77108      0.709442 3.23686      0.765405 1.30464  0.279965  1.79846  0.212794  
1 1 1 23 5  16 o 11.819   0.0935628 139.712      2.21164  139.037      3.14043  140.375      3.11519  11.7894  0.133188  11.8461  0.131486  
1 1 1 23 5  17 o 15.5003  0.113579  240.325      3.52103  242.7        5.06859  238.109      4.89492  15.5745  0.16272   15.4268  0.15865   
1 1 1 23 5  18 o 11.9129  0.0967631 141.947      2.30547  139.026      3.09326  145.598      3.45799  11.7887  0.131196  12.0637  0.143322  
1 1 1 23 5  19 o 14.4594  0.123607  209.153      3.57458  211.329      4.99971  206.877      5.11261  14.5318  0.172026  14.3776  0.177798  
1 1 1 23 5  20 f 12.787   0.105846  163.558      2.70689  162.893      3.84605  164.211      3.81045  12.7588  0.150721  12.8105  0.148724  
1 1 1 23 5  21 f 3.49267  0.135066  12.2061      0.943478 11.8421      1.32564  12.5798      1.34309  3.4391   0.192731  3.54468  0.189451  
1 1 1 23 5  22 o 5.73105  0.0958464 32.8581      1.0986   33.1482      1.5337   32.5524      1.57441  5.75518  0.133245  5.70306  0.138032  
1 1 1 23 5  23 o 14.3786  0.112976  206.884      3.24885  209.163      4.56028  204.535      4.62966  14.4529  0.157763  14.2916  0.161971  
1 1 1 23 5  24 o 3.70685  0.123505  13.7541      0.91563  13.3318      1.30947  14.1582      1.2808   3.64748  0.179504  3.75921  0.170355  
1 1 1 23 5  25 o 3.65655  0.125925  13.3873      0.920903 12.7286      1.27676  14.1015      1.32955  3.56312  0.179163  3.75046  0.177252  
1 1 1 23 5  26 o 3.01585  0.14947   9.11669      0.901556 8.76896      1.23218  9.51733      1.3226   2.95455  0.208523  3.07761  0.214874  
1 1 1 23 5  27 o 4.14582  0.116893  17.217       0.969238 17.1169      1.38434  17.3132      1.35747  4.13005  0.167594  4.15402  0.163392  
1 1 1 23 5  28 o 3.94934  0.122357  15.6319      0.966459 15.281       1.36573  15.9839      1.36783  3.90015  0.175087  3.98923  0.171441  
1 1 1 23 5  29 o 4.82749  0.105048  23.3509      1.01424  23.7536      1.39259  22.896       1.4801   4.86478  0.14313   4.77463  0.154996  
1 1 1 23 5  30 o 0.793618 0.326269  0.221563     0.832038 2.19967      1.19861  -1.61813     1.15591  1.43763  0.401583  0.646618 0.310295  
1 1 1 23 5  31 o 0.890641 0.339311  0.585576     0.839432 0.731398     1.1808   0.436583     1.19357  1.02835  0.399787  0.966886 0.393007  
1 1 1 23 5  32 o 3.43305  0.143725  11.8587      0.986828 11.5925      1.385    12.1332      1.40642  3.38371  0.204656  3.46204  0.20312   
1 1 1 23 5  33 o 2.38904  0.211797  5.79906      1.01198  5.54735      1.45518  6.0348       1.40828  2.31451  0.314361  2.42002  0.290965  
1 1 1 23 5  34 o 3.24116  0.163282  10.6136      1.05845  12.4085      1.56078  9.08536      1.44022  3.48886  0.22368   2.98062  0.241598  
1 1 1 23 5  35 o 1.268    0.35541   1.75753      0.937257 2.88911      1.30039  0.534213     1.35208  1.60787  0.404446  1.01447  0.416297  
1 1 1 23 5  36 o 4.09919  0.130857  16.9662      1.07282  17.8433      1.51334  16.0801      1.52107  4.18542  0.180787  3.96878  0.19163   
1 1 1 23 5  37 o 0.632961 0.297936  -0.968122    0.983709 1.09463      1.3683   -3.17481     1.41523  1.11739  0.43119   0.608036 0.302054  
1 1 1 23 5  38 o 1.7259   0.326273  3.29876      1.08519  2.34877      1.50226  4.33544      1.5693   1.41597  0.462077  1.93017  0.418302  
1 1 1 23 5  39 o 1.92872  0.290202  3.99375      1.11944  2.9664       1.57402  5.04522      1.59239  1.55298  0.468169  2.08527  0.396133  
1 1 1 23 5  40 o 1.16912  0.389776  1.59658      1.06892  0.669531     1.47757  2.61449      1.54828  1.01203  0.426674  1.43172  0.469101  
1 1 1 23 5  41 f 0.511716 0.253819  -2.03834     0.981691 -2.45223     1.3908   -1.62739     1.38586  0.625966 0.308445  0.686947 0.331992  
1 1 1 23 5  42 o 1.09315  0.382266  1.49741      1.03255  1.2638       1.48304  1.71719      1.43846  1.06101  0.435794  1.14802  0.442294  
1 1 1 23 5  43 f 0.777933 0.34086   0.263061     1.01185  -0.226616    1.40646  0.78842      1.4568   0.798471 0.36994   0.945098 0.411587  
1 1 1 23 5  44 o 0.650815 0.312874  -0.817939    1.18852  -0.370917    1.74415  -1.20546     1.62393  0.803539 0.384522  0.716926 0.349467  
1 1 1 23 5  45 o 1.15407  0.417139  2.51886      1.23855  2.4687       1.77508  2.56646      1.72897  1.03223  0.451883  1.05215  0.453135  
1 1 1 23 5  46 o 0.735892 0.345244  0.4509       1.29375  1.25888      1.82691  -0.361925    1.83238  0.83368  0.397648  0.718774 0.354143  
1 1 1 23 6  0  o 22.2062  0.218407  493.564      9.69786  493.564      9.69786  493.564      9.69786  22.2112  0.154385  ?        ?         
1 1 1 23 6  1  o 6.85231  0.0552476 46.9579      0.757148 46.9834      1.08335  46.9335      1.05862  6.85388  0.0790318 6.85027  0.0772682 
1 1 1 23 6  2  o 14.1801  0.099286  201.127      2.81578  206.527      4.12778  196.428      3.85085  14.3672  0.143653  14.0118  0.137414  
1 1 1 23 6  3  o 4.59967  0.0486718 21.1583      0.447749 20.7597      0.637387 21.5466      0.629119 4.55599  0.0699504 4.64156  0.0677703 
1 1 1 23 6  4  f 14.411   0.0999837 207.729      2.88173  207.733      4.07356  207.725      4.0772   14.4093  0.141352  14.409   0.141481  
1 1 1 23 6  5  o 9.98341  0.074458  99.6821      1.48669  100.768      2.12349  98.6382      2.08212  10.0369  0.105784  9.93031  0.104836  
1 1 1 23 6  6  o 16.0881  0.115055  258.909      3.70203  258.201      5.16615  259.656      5.30763  16.0635  0.160804  16.1085  0.164746  
1 1 1 23 6  7  o 12.8035  0.0948846 163.965      2.42971  166.942      3.49086  161.167      3.3839   12.9178  0.135118  12.6925  0.133304  
1 1 1 23 6  8  o 5.10464  0.0581379 26.0594      0.593547 25.9131      0.822988 26.2179      0.856839 5.09011  0.0808419 5.11993  0.0836768 
1 1 1 23 6  9  o 15.2155  0.110185  231.568      3.35305  232.908      4.71664  230.198      4.76762  15.2577  0.154566  15.1685  0.157155  
1 1 1 23 6  10 o 20.3149  0.136919  412.831      5.56301  412.595      7.86882  413.067      7.86576  20.3057  0.193759  20.3173  0.193573  
1 1 1 23 6  11 o 21.1468  0.150538  447.343      6.36679  444.578      8.84996  450.309      9.16637  21.0777  0.209937  21.2126  0.216059  
1 1 1 23 6  12 o 5.31015  0.0629293 28.1993      0.668327 27.7689      0.946306 28.6276      0.944013 5.2693   0.0897943 5.35017  0.0882227 
1 1 1 23 6  13 o 28.3343  0.19169   803.27       10.8628  804.681      15.5606  801.93       15.1715  28.3507  0.27443   28.303   0.268021  
1 1 1 23 6  14 o 22.5103  0.158585  506.904      7.13957  511.958      10.1832  502.017      10.0127  22.6177  0.225116  22.3971  0.223526  
1 1 1 23 6  15 o 17.8297  0.124012  317.98       4.4222   321.555      6.38544  314.685      6.13024  17.9271  0.178095  17.7348  0.172831  
1 1 1 23 6  16 o 37.0818  0.25512   1376.81      18.9206  1378.73      26.5029  1374.81      27.0202  37.0847  0.35733   37.03    0.364841  
1 1 1 23 6  17 o 15.5839  0.111858  242.923      3.48637  245.966      4.91916  239.851      4.94187  15.6792  0.156869  15.483   0.159591  
1 1 1 23 6  18 o 14.5752  0.113136  212.499      3.29797  210.032      4.71778  214.857      4.61208  14.4881  0.162815  14.6539  0.157367  
1 1 1 23 6  19 o 7.42348  0.0876697 55.1189      1.30163  55.7051      1.84898  54.5431      1.83269  7.4621   0.123891  7.38386  0.124101  
1 1 1 23 6  20 o 4.10039  0.110101  16.8192      0.902911 17.5404      1.28472  16.1153      1.26924  4.18667  0.15343   4.0129   0.158145  
1 1 1 23 6  21 o 11.1754  0.101056  124.934      2.25868  126.508      3.17499  123.321      3.21389  11.2436  0.141191  11.1009  0.144759  
1 1 1 23 6  22 o 15.1966  0.118635  231.084      3.60569  232.548      5.15176  229.679      5.04824  15.2395  0.169027  15.1455  0.166658  
1 1 1 23 6  23 o 12.135   0.102098  147.343      2.47792  146.998      3.51997  147.682      3.48884  12.1172  0.145247  12.1456  0.143626  
1 1 1 23 6  24 o 6.20346  0.0928804 38.5051      1.15236  37.8516      1.61852  39.1768      1.64108  6.14877  0.131613  6.2555   0.131171  
1 1 1 23 6  25 o 12.2718  0.101206  150.726      2.48395  150.964      3.54797  150.498      3.47874  12.2758  0.14451   12.2573  0.141905  
1 1 1 23 6  26 o 1.94813  0.220142  3.81508      0.857733 3.80089      1.17657  3.83117      1.25308  1.94001  0.303236  1.94652  0.321878  
1 1 1 23 6  27 o 1.62372  0.259042  2.6594       0.841225 2.94069      1.18824  2.37675      1.19111  1.66847  0.366067  1.49927  0.392602  
1 1 1 23 6  28 o 2.65221  0.167333  7.0643       0.887603 6.78929      1.23229  7.36082      1.27956  2.59434  0.237496  2.7014   0.236834  
1 1 1 23 6  29 o 0.971193 0.343937  0.843272     0.83819  1.96668      1.19609  -0.240759    1.17495  1.37062  0.407091  0.837111 0.367044  
1 1 1 23 6  30 o 1.83285  0.230061  3.39724      0.843336 2.23555      1.19585  4.54662      1.18949  1.44791  0.399967  2.11467  0.281248  
1 1 1 23 6  31 o 1.78056  0.249427  3.22197      0.88824  3.52377      1.2385   2.90233      1.2746   1.81962  0.352913  1.63938  0.393213  
1 1 1 23 6  32 o 3.19939  0.148711  10.3055      0.951571 11.0501      1.35152  9.57348      1.34     3.30301  0.20459   3.07174  0.218117  
1 1 1 23 6  33 o 3.93997  0.146843  15.6441      1.15712  16.065       1.71822  15.2947      1.56528  3.97457  0.216151  3.88233  0.20159   
1 1 1 23 6  34 o 2.994    0.169263  9.06565      1.01355  8.61443      1.42567  9.52675      1.44119  2.90054  0.24576   3.05304  0.236026  
1 1 1 23 6  35 o 3.85507  0.135278  14.997       1.04301  12.8602      1.39028  17.748       1.57747  3.55262  0.19567   4.17616  0.188866  
1 1 1 23 6  36 o 2.8129   0.178339  8.05686      1.0033   8.30273      1.42234  7.81337      1.41544  2.83042  0.25126   2.74313  0.257998  
1 1 1 23 6  37 o 1.32542  0.358625  1.96921      0.973722 1.18756      1.3497   2.81759      1.40613  1.13391  0.430761  1.55748  0.434927  
1 1 1 23 6  38 o 4.30101  0.143022  18.7849      1.23028  18.3844      1.71944  19.205       1.76106  4.22196  0.20363   4.31488  0.204069  
1 1 1 23 6  39 o 0.779725 0.347113  -0.191358    1.09714  -0.353591    1.55181  -0.0292159   1.55138  0.895776 0.405196  0.939589 0.416067  
1 1 1 23 6  40 o 2.7041   0.203371  7.65367      1.09987  7.46014      1.55001  7.84995      1.56095  2.60353  0.297673  2.67554  0.291707  
1 1 1 23 6  41 o 2.02183  0.246615  4.4179       0.997228 4.84177      1.41418  3.99865      1.40644  2.01174  0.36492   1.79165  0.402375  
1 1 1 23 6  42 o 0.638405 0.303339  -0.851807    1.05035  -0.813165    1.4921   -0.889764    1.47883  0.771266 0.364175  0.760402 0.360655  
1 1 1 23 6  43 o 0.848692 0.357259  0.633288     1.03327  -0.189538    1.42876  1.53549      1.49609  0.801528 0.371933  1.0653   0.437655  
1 1 1 23 6  44 o 1.16456  0.415099  2.18149      1.22269  1.49962      1.8068   2.75754      1.66071  1.00199  0.44577   1.21183  0.4735    
1 1 1 23 6  45 o 0.896438 0.383724  1.35866      1.22646  1.53235      1.77437  1.19975      1.69716  0.906965 0.418409  0.871816 0.404862  
1 1 1 23 6  46 o 0.639524 0.311199  -0.368601    1.26949  -0.733491    1.77323  0.0150668    1.81829  0.674932 0.335673  0.721403 0.355308  
1 1 1 23 7  0  o 3.80573  0.0750439 14.5015      0.570692 14.5015      0.570692 14.5015      0.570692 3.80691  0.0530242 ?        ?         
1 1 1 23 7  1  o 5.43369  0.0507632 29.5269      0.551662 30.0567      0.78941  29.0213      0.771244 5.48203  0.0719998 5.38678  0.0715867 
1 1 1 23 7  2  o 23.9404  0.162687  573.523      7.78956  578.281      11.107   568.918      10.9274  24.0311  0.231095  23.8361  0.229221  
1 1 1 23 7  3  o 8.18976  0.0636634 67.0789      1.04277  66.8391      1.50856  67.2983      1.44303  8.17464  0.0922709 8.20275  0.0879602 
1 1 1 23 7  4  o 19.7006  0.142656  388.307      5.62082  390.329      8.08099  386.412      7.82335  19.7465  0.204619  19.6477  0.199091  
1 1 1 23 7  5  o 15.3419  0.108685  235.44       3.33487  235.532      4.71437  235.348      4.71807  15.3426  0.153637  15.3366  0.153817  
1 1 1 23 7  6  o 13.685   0.0992787 187.324      2.71727  187.81       3.81092  186.821      3.87548  13.7012  0.139073  13.665   0.141804  
1 1 1 23 7  7  o 5.76279  0.0567156 33.2122      0.65368  32.8242      0.915622 33.6155      0.933525 5.72881  0.0799138 5.79745  0.0805118 
1 1 1 23 7  8  o 12.5185  0.0896485 156.738      2.24453  157.676      3.20459  155.835      3.14473  12.5548  0.127624  12.4813  0.125978  
1 1 1 23 7  9  o 5.73334  0.0640009 32.8736      0.733877 33.0546      1.06003  32.707       1.01702  5.74886  0.092195  5.71858  0.0889225 
1 1 1 23 7  10 o 15.5845  0.113122  242.927      3.5259   243.019      4.93445  242.83       5.03998  15.5858  0.158299  15.5796  0.161749  
1 1 1 23 7  11 o 14.7753  0.107128  218.347      3.16569  217.781      4.46874  218.917      4.48522  14.7549  0.151433  14.7933  0.151597  
1 1 1 23 7  12 o 27.6518  0.18479   765.005      10.2195  764.751      14.4583  765.258      14.4469  27.6399  0.261548  27.6491  0.261254  
1 1 1 23 7  13 o 23.1379  0.160723  535.569      7.43761  535.018      10.3984  536.146      10.6426  23.1216  0.224863  23.1455  0.229907  
1 1 1 23 7  14 o 20.1683  0.146757  406.895      5.91966  407.715      8.00948  405.909      8.78789  20.1857  0.198395  20.1396  0.218175  
1 1 1 23 7  15 o 16.4037  0.113915  269.144      3.73726  271.426      5.32453  266.928      5.2469   16.4711  0.161632  16.3341  0.160612  
1 1 1 23 7  16 o 29.0607  0.201015  845.217      11.6833  840.203      16.6226  850.113      16.4244  28.962   0.286973  29.1331  0.281885  
1 1 1 23 7  17 o 20.7847  0.143634  432.197      5.97081  434          8.37491  430.332      8.51482  20.8236  0.201092  20.735   0.205324  
1 1 1 23 7  18 o 8.57158  0.0850873 73.4844      1.45867  76.6271      2.12135  70.6659      2.00896  8.75218  0.12119   8.40489  0.119512  
1 1 1 23 7  19 o 5.20117  0.0911422 27.0582      0.948092 27.8918      1.36592  26.2831      1.31703  5.28008  0.129346  5.12557  0.128476  
1 1 1 23 7  20 o 8.88014  0.0915442 78.8771      1.62585  79.5015      2.31866  78.2731      2.28042  8.91405  0.130056  8.84495  0.128911  
1 1 1 23 7  21 o 10.2528  0.0999984 105.16       2.05053  106.625      2.91351  103.722      2.88645  10.322   0.141131  10.1805  0.141764  
1 1 1 23 7  22 o 1.44413  0.301528  2.17355      0.842484 2.76938      1.1773   1.54818      1.20613  1.62669  0.370098  1.26452  0.414036  
1 1 1 23 7  23 o 1.99282  0.21498   3.98195      0.856833 3.61971      1.19959  4.35925      1.22428  1.89708  0.316167  2.08268  0.293918  
1 1 1 23 7  24 o 3.54594  0.127384  12.588       0.903394 12.3874      1.28083  12.7866      1.27438  3.51544  0.182171  3.5718   0.178394  
1 1 1 23 7  25 o 3.19445  0.137631  10.222       0.879312 10.3282      1.22577  10.1093      1.2621   3.20847  0.191021  3.17385  0.198827  
1 1 1 23 7  26 o 2.65169  0.165864  7.05292      0.879636 8.02223      1.24194  6.07719      1.24605  2.82478  0.21983   2.45643  0.253631  
1 1 1 23 7  27 o 1.76249  0.236737  3.13004      0.834495 4.33359      1.19889  1.99889      1.16227  2.06997  0.289591  1.38287  0.39845   
1 1 1 23 7  28 f 1.9777   0.214731  3.93994      0.849346 4.34497      1.21834  3.55698      1.18468  2.07012  0.294268  1.84215  0.333824  
1 1 1 23 7  29 o 3.0099   0.14776   9.09754      0.889486 9.80739      1.24939  8.36797      1.26663  3.11968  0.200244  2.8794   0.219948  
1 1 1 23 7  30 o 4.77317  0.105571  22.8391      1.00782  23.7702      1.42345  21.9033      1.4271   4.86406  0.146323  4.66815  0.152855  
1 1 1 23 7  31 o 3.95528  0.128879  15.7151      1.01951  16.8096      1.46506  14.6874      1.41962  4.08222  0.179444  3.8146   0.186077  
1 1 1 23 7  32 o 4.45953  0.116736  19.9726      1.04117  19.3139      1.48741  20.6055      1.45792  4.37476  0.169999  4.52073  0.161248  
1 1 1 23 7  33 o 4.31897  0.140725  18.7862      1.21557  19.0409      1.74698  18.5471      1.69247  4.33182  0.201645  4.27642  0.197884  
1 1 1 23 7  34 o 3.2733   0.154323  10.8162      1.01029  10.3036      1.40483  11.3653      1.45396  3.17897  0.220957  3.33968  0.21768   
1 1 1 23 7  35 o 1.04265  0.359918  1.08234      0.912837 1.71619      1.24544  0.346577     1.34184  1.26869  0.420729  0.97414  0.408455  
1 1 1 23 7  36 o 2.10116  0.236956  4.55918      0.995765 4.79988      1.39108  4.30623      1.42602  2.12548  0.327238  1.96981  0.375458  
1 1 1 23 7  37 o 1.90584  0.262127  3.79858      0.999146 3.63117      1.40134  3.97169      1.42497  1.78195  0.402652  1.87027  0.393376  
1 1 1 23 7  38 o 1.60421  0.341538  2.88904      1.06313  1.95906      1.50256  3.82136      1.50444  1.31803  0.461111  1.80502  0.423568  
1 1 1 23 7  39 o 3.43038  0.174389  12.0833      1.19644  12.2157      1.68081  11.9473      1.70347  3.40458  0.246845  3.36242  0.253309  
1 1 1 23 7  40 o 0.806966 0.347853  0.183023     1.02063  -0.141665    1.45628  0.496458     1.43082  0.876967 0.394826  0.966764 0.414166  
1 1 1 23 7  41 o 0.592869 0.284441  -1.089       0.970003 -1.08692     1.35809  -1.09117     1.38591  0.725997 0.344943  0.733883 0.34858   
1 1 1 23 7  42 o 0.600184 0.288704  -1.06986     1.01568  -1.58639     1.41303  -0.51771     1.46094  0.67785  0.329368  0.790165 0.370016  
1 1 1 23 7  43 o 0.882486 0.3677    0.796864     1.07673  1.22035      1.51111  0.360107     1.53461  0.999894 0.426903  0.879085 0.399565  
1 1 1 23 7  44 o 1.1111   0.406156  1.95609      1.17707  2.18175      1.78436  1.78226      1.56616  1.09239  0.465067  1.04087  0.439077  
1 1 1 23 7  45 o 0.536457 0.267816  -1.84739     1.18258  -2.14314     1.70679  -1.57431     1.64004  0.627235 0.314147  0.645936 0.321469  
1 1 1 23 7  46 o 0.790086 0.358439  1.20358      1.22316  -0.911843    1.658    3.72976      1.81183  0.635089 0.317064  1.02519  0.452357  
1 1 1 23 8  0  f 3.40334  0.0717486 11.5989      0.48788  11.5989      0.48788  11.5989      0.48788  3.40453  0.0506907 ?        ?         
1 1 1 23 8  1  o 9.82887  0.0712402 96.6189      1.40042  98.3983      2.01544  94.9578      1.9473   9.91831  0.101602  9.74341  0.0999292 
1 1 1 23 8  2  o 17.3368  0.118999  300.67       4.12612  302.02       5.8641   299.347      5.80674  17.3726  0.168775  17.2956  0.167868  
1 1 1 23 8  3  o 6.26667  0.0552585 39.274       0.692574 39.7063      0.982207 38.8465      0.97671  6.30083  0.0779427 6.23223  0.0783597 
1 1 1 23 8  4  o 21.4053  0.149314  458.432      6.39222  458.776      9.03485  458.087      9.04509  21.4075  0.211021  21.3913  0.211419  
1 1 1 23 8  5  o 10.0186  0.0777454 100.386      1.5578   102.174      2.30882  98.8918      2.11061  10.1066  0.114224  9.94309  0.106134  
1 1 1 23 8  6  o 5.89504  0.0594703 34.7544      0.70116  36.1918      1.04511  33.5777      0.945534 6.01543  0.0868688 5.79418  0.0815935 
1 1 1 23 8  7  o 3.32494  0.0591951 11.056       0.39364  10.7803      0.565518 11.3152      0.548265 3.28307  0.0861264 3.36357  0.0815005 
1 1 1 23 8  8  o 11.9684  0.0870773 143.263      2.08435  143.53       2.93024  142.991      2.96551  11.9787  0.122311  11.9561  0.124017  
1 1 1 23 8  9  o 7.92741  0.0681363 62.8489      1.08029  61.6239      1.50929  64.1357      1.54693  7.84946  0.0961394 8.00783  0.0965886 
1 1 1 23 8  10 o 12.2839  0.0995301 150.917      2.44523  157.528      3.64716  145.519      3.29566  12.5489  0.145317  12.0614  0.136621  
1 1 1 23 8  11 o 19.4069  0.132795  376.726      5.15428  378.891      7.25632  374.521      7.32264  19.4601  0.186441  19.3474  0.189241  
1 1 1 23 8  12 o 16.7069  0.118411  279.179      3.95656  276.945      5.50277  281.569      5.69292  16.6382  0.165365  16.7764  0.169671  
1 1 1 23 8  13 o 9.2693   0.0823153 85.9286      1.52601  85.4366      2.15071  86.4276      2.16557  9.24223  0.116353  9.29567  0.116483  
1 1 1 23 8  14 o 13.8294  0.100353  191.284      2.77565  190.554      3.82841  192.093      4.03008  13.8019  0.138691  13.8573  0.145414  
1 1 1 23 8  15 o 22.7293  0.155137  516.856      7.05232  522.128      10.1764  511.985      9.78222  22.8394  0.222783  22.6171  0.216258  
1 1 1 23 8  16 o 18.8407  0.142394  355.122      5.36562  362.197      7.53486  347.842      7.64255  19.0237  0.198039  18.6424  0.204978  
1 1 1 23 8  17 o 9.28993  0.0891854 86.3178      1.65705  88.2019      2.38474  84.5589      2.30419  9.38992  0.126984  9.19401  0.125309  
1 1 1 23 8  18 o 4.69945  0.0943203 22.0896      0.886507 21.2691      1.20669  23.0517      1.30669  4.61087  0.130853  4.80013  0.13611   
1 1 1 23 8  19 o 9.39104  0.0884278 88.2109      1.66086  89.2566      2.36203  87.1883      2.3358   9.44551  0.125035  9.33542  0.125104  
1 1 1 23 8  20 o 6.7223   0.0986377 45.2034      1.32614  43.0769      1.79017  47.7896      1.97421  6.56134  0.136418  6.91074  0.142836  
1 1 1 23 8  21 o 6.02406  0.0963404 36.3031      1.16072  36.3809      1.64046  36.225       1.64255  6.02935  0.13604   6.0164   0.136506  
1 1 1 23 8  22 f 13.6872  0.110327  187.455      3.02014  188.091      4.07875  186.682      4.49355  13.707   0.148784  13.6538  0.164553  
1 1 1 23 8  23 o 12.3665  0.10396   153.03       2.57125  157.885      3.79101  148.894      3.49911  12.5566  0.150957  12.1946  0.14347   
1 1 1 23 8  24 o 3.6537   0.125445  13.365       0.916677 12.5098      1.27815  14.2708      1.3154   3.5326   0.180908  3.77339  0.1743    
1 1 1 23 8  25 o 2.65819  0.160931  7.08378      0.855571 6.46384      1.17957  7.77201      1.24283  2.53578  0.232585  2.78113  0.22344   
1 1 1 23 8  26 o 7.86193  0.0922941 61.8703      1.45122  61.5626      2.0541   62.1768      2.05057  7.83844  0.131027  7.87755  0.130153  
1 1 1 23 8  27 o 4.39885  0.10986   19.3826      0.966517 19.4349      1.39192  19.3338      1.34311  4.40078  0.158145  4.38981  0.15298   
1 1 1 23 8  28 o 3.39948  0.133736  11.5907      0.909264 11.035       1.28375  12.1502      1.28805  3.31151  0.193832  3.47575  0.18529   
1 1 1 23 8  29 o 2.78258  0.153803  7.77914      0.855942 7.37861      1.21129  8.17861      1.20969  2.70296  0.224066  2.84714  0.212439  
1 1 1 23 8  30 o 1.92168  0.224774  3.73553      0.863888 3.44294      1.19602  4.0547       1.24915  1.80355  0.343919  1.99142  0.313635  
1 1 1 23 8  31 o 2.72359  0.174986  7.48168      0.953184 8.40191      1.3435   6.54903      1.35255  2.87687  0.233501  2.53413  0.266867  
1 1 1 23 8  32 o 4.19465  0.11727   17.6733      0.983816 17.0216      1.36238  18.3835      1.4222   4.10724  0.165851  4.26822  0.166604  
1 1 1 23 8  33 o 3.11416  0.173105  9.80191      1.07815  9.60113      1.53695  9.99643      1.51282  3.06395  0.250812  3.12885  0.241753  
1 1 1 23 8  34 o 1.13684  0.356558  1.35895      0.900966 -0.726303    1.26299  3.51962      1.28563  0.785015 0.358357  1.79752  0.370279  
1 1 1 23 8  35 o 2.11552  0.220166  4.58552      0.931529 5.02564      1.26866  4.07062      1.37219  2.19577  0.288887  1.92537  0.369527  
1 1 1 23 8  36 o 0.706538 0.31908   -0.393358    0.958449 -0.287285    1.35286  -0.500248    1.35806  0.866434 0.385588  0.837846 0.379021  
1 1 1 23 8  37 o 4.46856  0.131994  20.208       1.17965  18.7178      1.64397  21.7897      1.69369  4.27223  0.192401  4.61467  0.183512  
1 1 1 23 8  38 o 1.02156  0.384415  0.972817     1.06703  -0.716751    1.44144  3.02104      1.58707  0.825921 0.379445  1.58314  0.468668  
1 1 1 23 8  39 o 1.21912  0.389614  1.71061      1.07114  2.34794      1.53413  1.10439      1.49622  1.39319  0.466953  1.11403  0.445194  
1 1 1 23 8  40 o 1.85845  0.275294  3.76715      1.02324  5.35273      1.47229  2.2857       1.42313  2.16938  0.339334  1.34147  0.449742  
1 1 1 23 8  41 o 2.0429   0.258723  4.5718       1.05709  4.97958      1.45561  4.11676      1.53766  2.02296  0.373832  1.77417  0.435894  
1 1 1 23 8  42 o 1.01702  0.381333  1.2646       1.04814  1.02784      1.47244  1.50781      1.49235  1.00281  0.424513  1.09067  0.440965  
1 1 1 23 8  43 o 0.998418 0.38145   1.33454      1.06334  -0.0554892   1.46779  2.86984      1.54258  0.811947 0.376849  1.31354  0.466445  
1 1 1 23 8  44 f 0.84113  0.368535  0.703857     1.18271  1.06708      1.75033  0.398681     1.60439  0.936989 0.426108  0.849442 0.394152  
1 1 1 23 8  45 o 0.775903 0.352239  0.703287     1.18467  -1.02106     1.69214  2.36095      1.6591   0.680034 0.336314  0.99569  0.436371  
1 1 1 23 8  46 o 0.680874 0.325832  0.322494     1.25259  1.06849      1.76998  -0.425958    1.7729   0.757697 0.368311  0.666568 0.332084  
1 1 1 23 9  0  o 17.4915  0.166342  306.136      5.81793  306.136      5.81793  306.136      5.81793  17.4941  0.117592  ?        ?         
1 1 1 23 9  1  o 13.7384  0.0966344 188.786      2.65521  188.886      3.79736  188.691      3.71408  13.7404  0.138183  13.7334  0.13522   
1 1 1 23 9  2  o 11.329   0.0823796 128.367      1.86656  128.726      2.64521  128.011      2.63424  11.3439  0.116592  11.3123  0.116432  
1 1 1 23 9  3  o 8.23123  0.0628759 67.7595      1.03509  66.4816      1.44439  69.1087      1.4841   8.15286  0.0885816 8.31236  0.0892709 
1 1 1 23 9  4  o 14.4433  0.0994262 208.657      2.87208  208.417      4.01662  208.909      4.10842  14.4333  0.139144  14.4502  0.142158  
1 1 1 23 9  5  o 5.22189  0.0539953 27.27        0.563916 27.0951      0.804805 27.4387      0.790386 5.20493  0.0773117 5.23784  0.0754495 
1 1 1 23 9  6  o 28.9843  0.203581  840.83       11.8013  845.581      16.962   836.371      16.4298  29.052   0.291924  28.8948  0.284304  
1 1 1 23 9  7  o 3.95612  0.0589669 15.6519      0.46656  15.9133      0.703319 15.4465      0.6235   3.98884  0.0881608 3.92997  0.0793264 
1 1 1 23 9  8  o 16.5309  0.120271  273.34       3.97638  273.935      5.64457  272.755      5.60255  16.5467  0.170565  16.5111  0.16966   
1 1 1 23 9  9  o 8.30875  0.0699249 69.0408      1.16198  68.7398      1.67817  69.318       1.61048  8.29026  0.101214  8.32511  0.0967245 
1 1 1 23 9  10 o 10.5161  0.0780271 110.599      1.64109  114.284      2.41463  107.436      2.23721  10.6893  0.112946  10.3643  0.107929  
1 1 1 23 9  11 f 6.86841  0.0615755 47.1778      0.845852 47.8713      1.21806  46.5319      1.17551  6.9185   0.0880289 6.82104  0.0861677 
1 1 1 23 9  12 o 4.66672  0.0663878 21.7797      0.619626 22.2171      0.863669 21.3157      0.889468 4.7132   0.0916223 4.61656  0.0963345 
1 1 1 23 9  13 o 13.0006  0.0947946 169.038      2.46477  169.82       3.42518  168.199      3.54956  13.0297  0.131437  12.9672  0.136867  
1 1 1 23 9  14 o 19.6524  0.135159  386.339      5.31239  389.218      7.48497  383.417      7.54105  19.7224  0.189758  19.5746  0.192623  
1 1 1 23 9  15 o 6.57794  0.0698286 43.2735      0.918657 43.5283      1.29912  43.0187      1.29923  6.59695  0.0984636 6.55822  0.0990538 
1 1 1 23 9  16 o 33.3652  0.230002  1114.48      15.3482  1109.14      21.3744  1120.16      22.0526  33.2674  0.321251  33.4302  0.329831  
1 1 1 23 9  17 f 7.42946  0.0811739 55.2051      1.20616  55.2639      1.66381  55.14        1.75106  7.43292  0.111922  7.42446  0.117925  
1 1 1 23 9  18 o 20.7162  0.153689  429.418      6.36769  429.52       8.90614  429.312      9.10779  20.7126  0.214993  20.707   0.21992   
1 1 1 23 9  19 o 13.7611  0.108439  189.431      2.98447  194.042      4.33051  185.26       4.11879  13.925   0.155494  13.6065  0.151354  
1 1 1 23 9  20 o 5.33832  0.102467  28.5079      1.09401  27.7179      1.53986  29.313       1.55456  5.26284  0.146295  5.41223  0.143615  
1 1 1 23 9  21 o 8.75612  0.090972  76.6976      1.59312  75.6009      2.20311  77.8997      2.30647  8.69175  0.126736  8.82271  0.130712  
1 1 1 23 9  22 o 12.3911  0.101358  153.623      2.51188  154.483      3.46583  152.672      3.64567  12.4227  0.139496  12.3489  0.147611  
1 1 1 23 9  23 f 4.58236  0.109772  21.0141      1.00603  23.2999      1.43012  18.7749      1.41547  4.82359  0.148243  4.32929  0.163475  
1 1 1 23 9  24 o 8.44424  0.0885235 71.3489      1.49503  71.8203      2.10986  70.8734      2.11875  8.46949  0.124556  8.41336  0.125916  
1 1 1 23 9  25 o 3.96846  0.117966  15.7714      0.936283 16.2637      1.33074  15.2888      1.31756  4.02718  0.16522   3.90438  0.168729  
1 1 1 23 9  26 o 6.26062  0.092883  39.2361      1.16301  38.5816      1.67958  39.839       1.61199  6.20455  0.135351  6.30559  0.127822  
1 1 1 23 9  27 o 3.69548  0.121195  13.6856      0.89575  13.3543      1.26271  14.0211      1.27089  3.6464   0.173145  3.73663  0.170059  
1 1 1 23 9  28 o 4.96601  0.103401  24.707       1.02698  24.359       1.48448  25.0266      1.42226  4.92572  0.150686  4.99382  0.142402  
1 1 1 23 9  29 o 2.87225  0.148887  8.28701      0.855285 8.60955      1.24401  7.99788      1.17781  2.92084  0.212955  2.81562  0.209156  
1 1 1 23 9  30 o 2.82668  0.155325  8.036        0.878108 6.49008      1.18148  9.94376      1.31249  2.53122  0.233382  3.13709  0.209189  
1 1 1 23 9  31 o 4.53917  0.119454  20.6888      1.08445  19.7405      1.47645  21.7998      1.59804  4.42545  0.166814  4.64942  0.171853  
1 1 1 23 9  32 f 0.660947 0.298645  -0.409073    0.840696 -1.41323     1.16487  0.682528     1.21453  0.666643 0.317868  1.01954  0.403094  
1 1 1 23 9  33 o 2.13162  0.215366  4.62055      0.918158 3.1424       1.30232  6.08135      1.29466  1.69443  0.391811  2.43462  0.265884  
1 1 1 23 9  34 o 1.59947  0.293194  2.72506      0.902934 1.92358      1.26948  3.54565      1.28453  1.33675  0.423847  1.80335  0.368884  
1 1 1 23 9  35 o 1.3039   0.34445   1.86975      0.911796 0.883175     1.239    3.03522      1.34666  1.05495  0.409645  1.6406   0.410916  
1 1 1 23 9  36 o 0.883783 0.354387  0.495874     0.952717 1.26447      1.3225   -0.333325    1.37365  1.15239  0.429084  0.865404 0.386736  
1 1 1 23 9  37 o 1.49565  0.345897  2.51176      1.01486  2.70632      1.40331  2.29841      1.46945  1.51839  0.437926  1.4078   0.456988  
1 1 1 23 9  38 o 3.99978  0.146851  16.2662      1.17474  15.9471      1.6399   16.6025      1.68364  3.92739  0.208777  4.00643  0.210117  
1 1 1 23 9  39 o 0.84398  0.358073  0.26961      1.05143  -0.189607    1.53541  0.675105     1.44281  0.906754 0.406947  1.01891  0.425162  
1 1 1 23 9  40 o 0.925772 0.362916  0.786836     0.977228 0.588793     1.34711  1.00682      1.41977  0.960434 0.406282  1.05062  0.428099  
1 1 1 23 9  41 o 0.890653 0.364658  0.655129     1.0351   -0.0155286   1.44002  1.37211      1.48892  0.867509 0.391478  1.10282  0.442692  
1 1 1 23 9  42 o 1.3768   0.3681    2.46255      1.0335   0.869091     1.43     4.20503      1.49537  0.968905 0.41453   1.74373  0.43075   
1 1 1 23 9  43 o 1.05988  0.38461   1.59574      1.05383  2.99711      1.44684  0.0122341    1.538    1.35346  0.453474  0.82476  0.383934  
1 1 1 23 9  44 o 0.984103 0.394971  1.48063      1.18494  -0.608769    1.72753  3.33705      1.62838  0.766862 0.370623  1.31155  0.477883  
1 1 1 23 9  45 o 0.715694 0.335109  0.225629     1.19719  0.954767     1.67117  -0.543038    1.71588  0.83059  0.390193  0.714811 0.350923  
1 1 1 23 10 0  o 7.32345  0.114215  53.6803      1.67198  53.6803      1.67198  53.6803      1.67198  7.32506  0.0807223 ?        ?         
1 1 1 23 10 1  o 14.1852  0.104517  201.273      2.96521  199.131      4.10102  203.62       4.29241  14.1078  0.145346  14.2657  0.150445  
1 1 1 23 10 2  o 6.34408  0.0556277 40.2503      0.705813 40.1557      0.97526  40.3543      1.02277  6.33641  0.0769568 6.35201  0.0805079 
1 1 1 23 10 3  o 23.8466  0.160557  569.003      7.6575   570.672      10.7512  567.285      10.9092  23.8744  0.225162  23.803   0.229156  
1 1 1 23 10 4  o 7.30524  0.0670908 53.372       0.98023  53.9462      1.4808   52.9242      1.30778  7.34394  0.100818  7.27423  0.0898912 
1 1 1 23 10 5  o 6.09488  0.0633275 37.1507      0.771947 37.4602      1.05327  36.7914      1.13466  6.11999  0.0860517 6.06503  0.0935415 
1 1 1 23 10 6  o 14.6365  0.109963  214.278      3.21896  217.436      4.61728  211.29       4.49     14.7422  0.156601  14.5324  0.154482  
1 1 1 23 10 7  o 14.8055  0.108394  219.249      3.20965  220.496      4.56669  218.031      4.51207  14.8459  0.153803  14.7628  0.152819  
1 1 1 23 10 8  o 16.7709  0.120504  281.331      4.04194  284.261      5.84032  278.638      5.5996   16.8558  0.173243  16.6885  0.167768  
1 1 1 23 10 9  o 16.2308  0.114688  263.491      3.72296  267.024      5.39438  260.278      5.14461  16.3375  0.165092  16.13    0.159473  
1 1 1 23 10 10 o 14.3159  0.099311  204.973      2.84345  205.648      4.04245  204.313      4.00036  14.3383  0.140967  14.2917  0.139954  
1 1 1 23 10 11 o 3.88123  0.0657054 15.0649      0.510035 15.8572      0.740552 14.3499      0.703472 3.98185  0.092991  3.78788  0.0928582 
1 1 1 23 10 12 o 9.58441  0.0763094 91.8688      1.46276  95.154       2.06337  88.5498      2.07398  9.75385  0.105772  9.40921  0.11021   
1 1 1 23 10 13 o 4.5282   0.0693942 20.5062      0.628461 20.7099      0.930285 20.3352      0.852373 4.55042  0.10222   4.50912  0.0945166 
1 1 1 23 10 14 o 18.3687  0.125944  337.509      4.62687  340.478      6.6003   334.64       6.4879   18.4465  0.178903  18.2878  0.177383  
1 1 1 23 10 15 o 6.72434  0.0712665 45.2215      0.958441 45.637       1.34671  44.7951      1.36434  6.75483  0.0996851 6.6922   0.101935  
1 1 1 23 10 16 o 16.142   0.116071  260.641      3.74726  259.125      5.27162  262.19       5.32768  16.0927  0.163789  16.1875  0.164561  
1 1 1 23 10 17 o 10.4782  0.0933841 109.815      1.95699  108.051      2.68313  111.82       2.86061  10.3927  0.129087  10.5722  0.135289  
1 1 1 23 10 18 o 11.2842  0.0978043 127.366      2.20729  129.244      3.12867  125.505      3.11454  11.3656  0.137637  11.2     0.139042  
1 1 1 23 10 19 o 4.08104  0.108994  16.6609      0.889621 15.7065      1.23345  17.6956      1.28432  3.96168  0.155673  4.20512  0.152709  
1 1 1 23 10 20 o 3.68761  0.120827  13.6058      0.891128 14.2948      1.25831  12.9126      1.26219  3.77889  0.166492  3.59134  0.175727  
1 1 1 23 10 21 o 4.57721  0.105129  20.9617      0.962397 21.5237      1.31348  20.3102      1.41416  4.63718  0.141625  4.50407  0.156986  
1 1 1 23 10 22 o 7.84226  0.0873591 61.5274      1.37019  62.3637      1.86591  60.5486      2.01855  7.89398  0.118185  7.77764  0.129767  
1 1 1 23 10 23 o 1.17157  0.339311  1.41147      0.840735 2.15475      1.16902  0.61516      1.21     1.4377   0.394713  1.0253   0.403299  
1 1 1 23 10 24 o 4.61782  0.100824  21.3425      0.931172 21.0438      1.34579  21.6168      1.28975  4.58317  0.146818  4.6456   0.138814  
1 1 1 23 10 25 o 6.57714  0.0946869 43.3004      1.24554  44.3718      1.78699  42.288       1.73699  6.65482  0.134263  6.49674  0.133682  
1 1 1 23 10 26 o 2.17044  0.183333  4.73092      0.79583  5.05023      1.14852  4.43601      1.10376  2.23793  0.256604  2.09697  0.263179  
1 1 1 23 10 27 o 3.68741  0.122563  13.6275      0.903877 11.6753      1.2737   15.6081      1.2829   3.40792  0.186874  3.94283  0.162688  
1 1 1 23 10 28 o 1.92002  0.211779  3.71634      0.813239 5.78457      1.18477  1.87367      1.1183   2.39184  0.247668  1.33765  0.392603  
1 1 1 23 10 29 o 2.6666   0.159223  7.14831      0.849166 7.95952      1.17012  6.24574      1.23425  2.80868  0.208304  2.48333  0.248506  
1 1 1 23 10 30 o 1.95403  0.222736  3.86545      0.870468 4.19828      1.17877  3.46627      1.29091  2.02779  0.290653  1.80037  0.371197  
1 1 1 23 10 31 o 1.29616  0.325289  1.79921      0.842642 2.13988      1.1802   1.44497      1.20349  1.40972  0.400017  1.21068  0.413583  
1 1 1 23 10 32 o 0.990673 0.35273   0.901888     0.882655 0.502911     1.23355  1.32048      1.26351  0.984886 0.3998    1.18187  0.421901  
1 1 1 23 10 33 o 4.25159  0.123321  18.1799      1.04862  18.1919      1.47384  18.1675      1.49227  4.24096  0.173762  4.23747  0.17608   
1 1 1 23 10 34 o 3.29601  0.149517  10.9727      0.98562  11.3084      1.40781  10.6498      1.38035  3.3295   0.211414  3.23042  0.21365   
1 1 1 23 10 35 o 2.57729  0.183844  6.76434      0.947639 8.43556      1.32521  5.0155       1.35563  2.86291  0.231445  2.1829   0.310512  
1 1 1 23 10 36 o 1.15433  0.367862  1.44422      0.955374 1.42714      1.31203  1.4635       1.39389  1.18833  0.429353  1.20813  0.441947  
1 1 1 23 10 37 o 1.5702   0.334919  2.75583      1.02072  1.99572      1.37844  3.67857      1.51876  1.32399  0.442624  1.76771  0.432531  
1 1 1 23 10 38 o 0.870755 0.362376  0.370971     1.04383  -0.257731    1.43103  1.08582      1.52593  0.878941 0.393707  1.12541  0.449652  
1 1 1 23 10 39 o 0.645196 0.304038  -0.926212    1.03002  -0.781694    1.45447  -1.07161     1.45888  0.807372 0.374882  0.776339 0.364667  
1 1 1 23 10 40 o 0.779513 0.337662  0.14064      0.970652 0.244469     1.33753  0.0251229    1.41082  0.898681 0.392845  0.883078 0.393356  
1 1 1 23 10 41 f 1.3305   0.387531  2.26399      1.09364  3.70055      1.51342  0.694007     1.58215  1.65076  0.447297  0.991359 0.430285  
1 1 1 23 10 42 o 0.986875 0.378362  1.16855      1.0492   0.950842     1.47271  1.39294      1.49514  0.984277 0.420877  1.06325  0.437285  
1 1 1 23 10 43 o 0.66007  0.313839  -0.622777    1.12596  0.55371      1.61707  -1.72998     1.56873  0.891019 0.406367  0.676029 0.333005  
1 1 1 23 10 44 o 0.617943 0.29963   -0.905526    1.15869  -1.96212     1.7139   -0.0161059   1.57248  0.664512 0.330424  0.780412 0.370975  
1 1 1 23 10 45 o 0.66887  0.319918  -0.238178    1.20349  -0.549419    1.66531  0.102079     1.7412   0.711841 0.348401  0.766208 0.370613  
1 1 1 23 11 0  o 18.5098  0.183482  342.846      6.79091  342.846      6.79091  342.846      6.79091  18.5129  0.129705  ?        ?         
1 1 1 23 11 1  o 12.9768  0.0943828 168.432      2.44957  170.014      3.53627  166.972      3.3964   13.0361  0.135633  12.9191  0.131448  
1 1 1 23 11 2  o 7.63157  0.065318  58.2464      0.996958 58.1726      1.37274  58.3288      1.45028  7.62639  0.0899992 7.63654  0.0949564 
1 1 1 23 11 3  o 10.906   0.0833239 118.958      1.81746  117.306      2.50845  120.785      2.63691  10.8292  0.115819  10.9885  0.119985  
1 1 1 23 11 4  o 23.047   0.172897  531.484      7.96952  534.138      11.3272  528.883      11.2149  23.0971  0.245207  22.9834  0.243978  
1 1 1 23 11 5  o 5.91577  0.0620734 34.9989      0.734424 34.6592      1.01811  35.3673      1.06044  5.88679  0.0864746 5.94659  0.0891639 
1 1 1 23 11 6  o 16.3713  0.123493  268.091      4.04349  267.823      5.78813  268.346      5.65104  16.3607  0.176891  16.3769  0.172531  
1 1 1 23 11 7  o 16.9649  0.118786  287.874      4.03037  288.524      5.77603  287.257      5.62651  16.9819  0.170064  16.9448  0.166025  
1 1 1 23 11 8  o 9.06394  0.0738323 82.1619      1.33842  84.6346      1.91628  79.8066      1.8702   9.19893  0.104157  8.93269  0.104683  
1 1 1 23 11 9  o 4.06985  0.0600988 16.5645      0.489186 17.3277      0.719531 15.9086      0.667071 4.16242  0.0864317 3.98835  0.0836274 
1 1 1 23 11 10 o 14.1324  0.101573  199.756      2.87095  205.974      4.22587  194.425      3.91249  14.3494  0.147249  13.9416  0.140317  
1 1 1 23 11 11 o 11.4835  0.0851388 131.884      1.95538  134.673      2.81633  129.289      2.71698  11.6036  0.121356  11.3693  0.119488  
1 1 1 23 11 12 o 4.04575  0.0765098 16.3696      0.61908  17.9851      0.89765  14.9042      0.854934 4.24051  0.105842  3.86023  0.110736  
1 1 1 23 11 13 o 8.21304  0.0885757 67.4632      1.45495  62.061       2.06651  72.7732      2.04882  7.87669  0.131179  8.52964  0.1201    
1 1 1 23 11 14 o 6.73304  0.0701751 45.3383      0.944984 47.2836      1.44364  43.8798      1.25     6.87556  0.104984  6.6236   0.0943592 
1 1 1 23 11 15 o 4.71031  0.0869541 22.1905      0.819161 19.5479      1.10221  25.4511      1.22432  4.42058  0.124668  5.04412  0.121361  
1 1 1 23 11 16 o 10.4829  0.0903733 109.91       1.89474  111.658      2.74995  108.33       2.61433  10.5649  0.130146  10.4064  0.125612  
1 1 1 23 11 17 o 6.25075  0.088859  39.0794      1.11087  38.9135      1.46496  39.3039      1.70402  6.237    0.117441  6.26784  0.135933  
1 1 1 23 11 18 o 7.27851  0.0856084 52.9876      1.2462   53.5121      1.69393  52.3687      1.83989  7.31382  0.115804  7.23498  0.127153  
1 1 1 23 11 19 o 6.11447  0.0946414 37.3975      1.15736  33.458       1.58856  41.8542      1.68963  5.78255  0.137358  6.46772  0.130621  
1 1 1 23 11 20 o 12.718   0.115557  161.834      2.93931  164.405      4.12856  159.193      4.18564  12.8153  0.16108   12.6101  0.165964  
1 1 1 23 11 21 o 7.54501  0.091014  56.9505      1.3734   58.1849      1.85257  55.4442      2.04643  7.62511  0.121479  7.4426   0.137481  
1 1 1 23 11 22 o 5.50908  0.0935282 30.3656      1.03051  30.4635      1.43238  30.2605      1.48369  5.51663  0.129824  5.49799  0.13493   
1 1 1 23 11 23 o 3.17816  0.134531  10.1137      0.855121 11.239       1.19253  8.92272      1.22684  3.34864  0.178062  2.98255  0.20567   
1 1 1 23 11 24 o 4.72101  0.100885  22.3086      0.952555 22.3865      1.28234  22.2127      1.42282  4.72748  0.135626  4.70814  0.151102  
1 1 1 23 11 25 o 3.24491  0.131073  10.5495      0.850642 10.6106      1.23835  10.495       1.1705   3.25085  0.190465  3.23373  0.180983  
1 1 1 23 11 26 o 5.47654  0.0961663 30.0297      1.05332  28.9578      1.53935  30.9735      1.44441  5.37384  0.143227  5.55909  0.129914  
1 1 1 23 11 27 o 4.04959  0.115033  16.4331      0.931669 16.3749      1.33278  16.4887      1.30289  4.03791  0.165033  4.05237  0.160756  
1 1 1 23 11 28 o 4.95318  0.101912  24.582       1.00957  25.2252      1.42071  23.9259      1.4349   5.01299  0.141703  4.88148  0.146974  
1 1 1 23 11 29 o 4.45081  0.107905  19.8592      0.96053  20.0345      1.32369  19.6642      1.39598  4.46555  0.148211  4.42271  0.15782   
1 1 1 23 11 30 o 3.77415  0.129711  14.307       0.979094 13.8911      1.32401  14.809       1.45446  3.71173  0.178356  3.8303   0.189862  
1 1 1 23 11 31 o 2.73913  0.158187  7.5602       0.866592 8.08386      1.23653  7.05475      1.21485  2.82258  0.219042  2.63475  0.230544  
1 1 1 23 11 32 o 2.27461  0.209437  5.25582      0.952777 4.74751      1.37627  5.72365      1.32033  2.13907  0.321698  2.35912  0.279836  
1 1 1 23 11 33 o 3.01988  0.15421   9.20498      0.931392 10.1148      1.31369  8.28538      1.32071  3.1536   0.208284  2.84849  0.231826  
1 1 1 23 11 34 o 3.33577  0.147354  11.2455      0.983079 10.9551      1.38793  11.5379      1.39265  3.27433  0.211941  3.36191  0.207122  
1 1 1 23 11 35 o 4.41727  0.129932  19.6992      1.14789  20.2152      1.54863  19.0699      1.71005  4.45796  0.173693  4.31892  0.197972  
1 1 1 23 11 36 o 2.34504  0.204246  5.64442      0.957928 5.25103      1.35265  6.04023      1.35679  2.22681  0.303718  2.3971   0.283007  
1 1 1 23 11 37 o 2.11231  0.247763  4.66736      1.0467   5.61909      1.45865  3.65707      1.50286  2.28486  0.319199  1.76303  0.429564  
1 1 1 23 11 38 o 2.62623  0.20319   7.14299      1.06725  7.819        1.48177  6.41429      1.53845  2.71047  0.273343  2.43005  0.316547  
1 1 1 23 11 39 o 2.42433  0.223853  6.19046      1.08539  6.13541      1.50271  6.25051      1.56941  2.35295  0.319323  2.36582  0.331684  
1 1 1 23 11 40 f 0.705732 0.321126  -0.331581    0.997251 -1.51613     1.36618  1.01949      1.45905  0.692094 0.333383  1.05404  0.432478  
1 1 1 23 11 41 f 0.854541 0.360608  0.494804     1.05702  -0.480785    1.46538  1.55301      1.52617  0.80746  0.375448  1.12539  0.449673  
1 1 1 23 11 42 o 0.684488 0.315163  -0.311683    1.00049  0.49014      1.41535  -1.11251     1.41447  0.901011 0.398397  0.713307 0.342528  
1 1 1 23 11 43 o 0.887367 0.373538  0.921618     1.12958  1.11032      1.6257   0.745482     1.57065  0.9535   0.423602  0.901393 0.407697  
1 1 1 23 11 44 o 0.855882 0.370194  1.03961      1.16343  1.13166      1.73063  0.963705     1.57153  0.887545 0.410884  0.863567 0.396512  
1 1 1 23 11 45 o 0.798018 0.359289  0.848146     1.20598  0.746932     1.68964  0.953254     1.72184  0.809115 0.384585  0.829214 0.39144   
1 1 1 23 12 0  o 9.72194  0.0994367 94.5554      1.93298  94.5554      1.93298  94.5554      1.93298  9.72295  0.0702968 ?        ?         
1 1 1 23 12 1  o 11.8941  0.0829206 141.49       1.97254  139.459      2.75151  143.638      2.82929  11.8076  0.116515  11.9832  0.118053  
1 1 1 23 12 2  o 4.35914  0.0522946 19.0032      0.455919 19.8733      0.681716 18.2991      0.613241 4.45768  0.0764653 4.27752  0.0716819 
1 1 1 23 12 3  o 19.6101  0.140853  384.703      5.5243   385.166      8.01787  384.286      7.62223  19.6176  0.204354  19.596   0.194485  
1 1 1 23 12 4  f 12.8046  0.0940661 163.984      2.40896  164.596      3.46639  163.413      3.35015  12.8273  0.135117  12.7813  0.131057  
1 1 1 23 12 5  o 19.6068  0.137753  384.553      5.40179  384.149      7.6319   384.958      7.6467   19.5932  0.194759  19.6138  0.194932  
1 1 1 23 12 6  o 21.251   0.152282  451.774      6.47229  459.113      9.29744  444.874      9.01547  21.4185  0.217042  21.084   0.213799  
1 1 1 23 12 7  o 7.67445  0.0666864 58.9013      1.02356  58.3767      1.42023  59.4682      1.47648  7.63995  0.0929477 7.71101  0.0957384 
1 1 1 23 12 8  o 13.75    0.0973431 189.088      2.67693  188.284      3.77818  189.898      3.79335  13.7197  0.137692  13.7784  0.137656  
1 1 1 23 12 9  o 23.2912  0.162934  542.692      7.58984  551.108      10.8959  534.76       10.5784  23.4662  0.232162  23.1158  0.228814  
1 1 1 23 12 10 o 11.1562  0.082784  124.473      1.8471   125.456      2.63583  123.523      2.58919  11.1995  0.117676  11.113   0.116494  
1 1 1 23 12 11 o 10.4065  0.0808927 108.306      1.68362  109.976      2.4698   106.855      2.30112  10.4858  0.117769  10.3361  0.111315  
1 1 1 23 12 12 o 9.79682  0.0761273 95.9868      1.49161  97.3352      2.15629  94.7494      2.06554  9.86488  0.109292  9.73302  0.10611   
1 1 1 23 12 13 o 10.55    0.0801199 111.316      1.69053  112.535      2.41209  110.138      2.37     10.607   0.113703  10.4934  0.112928  
1 1 1 23 12 14 o 13.2901  0.0954901 176.659      2.53814  176.397      3.58529  176.923      3.59367  13.279   0.134999  13.2987  0.135113  
1 1 1 23 12 15 f 19.1134  0.132328  365.46       5.05849  367.712      7.11966  363.164      7.18841  19.1687  0.185711  19.0496  0.188677  
1 1 1 23 12 16 o 10.5426  0.089782  111.167      1.89307  112.822      2.69825  109.562      2.65664  10.6198  0.127039  10.4652  0.126927  
1 1 1 23 12 17 o 5.49345  0.0932124 30.1848      1.02411  28.6774      1.37497  32.0631      1.53482  5.35397  0.128406  5.66107  0.135559  
1 1 1 23 12 18 o 23.9162  0.173697  572.49       8.30831  577.194      11.8197  567.896      11.681   24.0034  0.246208  23.8094  0.245302  
1 1 1 23 12 19 o 10.5049  0.101761  110.393      2.13799  110.942      2.8931   109.734      3.17346  10.5294  0.137382  10.4712  0.151533  
1 1 1 23 12 20 o 5.2557   0.0959534 27.6336      1.0086   26.8983      1.42446  28.3728      1.42831  5.18417  0.137386  5.32447  0.134127  
1 1 1 23 12 21 o 4.09739  0.111674  16.7997      0.915143 16.9346      1.25965  16.6488      1.33178  4.11264  0.153144  4.07744  0.163311  
1 1 1 23 12 22 o 5.48316  0.0945369 30.0818      1.03672  31.1167      1.42006  28.9008      1.51704  5.57539  0.127351  5.37258  0.141183  
1 1 1 23 12 23 o 2.70925  0.145747  7.35186      0.789729 7.9758       1.09501  6.67555      1.14004  2.82007  0.194146  2.57887  0.221035  
1 1 1 23 12 24 o 4.28063  0.10933   18.3456      0.936001 19.0751      1.28891  17.5317      1.36148  4.3628   0.147716  4.1816   0.162794  
1 1 1 23 12 25 o 4.76496  0.102571  22.7324      0.977495 23.645       1.45771  21.9868      1.31765  4.85627  0.150085  4.68364  0.140665  
1 1 1 23 12 26 o 3.23359  0.129925  10.4808      0.840247 10.4691      1.19772  10.4921      1.17907  3.22781  0.185532  3.23161  0.182428  
1 1 1 23 12 27 o 5.78863  0.0920167 33.555       1.0653   34.0859      1.48848  32.9974      1.52532  5.83044  0.127648  5.73593  0.132962  
1 1 1 23 12 28 o 4.54504  0.107246  20.7042      0.974873 19.4869      1.38586  21.8966      1.37161  4.4037   0.157352  4.6695   0.146869  
1 1 1 23 12 29 o 5.13676  0.102386  26.4484      1.05186  26.3724      1.47691  26.5266      1.49844  5.12353  0.14413   5.1382   0.145814  
1 1 1 23 12 30 o 2.78417  0.161412  7.80731      0.898796 9.33539      1.24569  6.14792      1.29811  3.03799  0.205019  2.45618  0.264253  
1 1 1 23 12 31 o 0.538258 0.258613  -1.15166     0.809084 -0.138752    1.1431   -2.16853     1.14533  0.834768 0.364054  0.588864 0.288381  
1 1 1 23 12 32 o 3.5215   0.150451  12.5018      1.05963  12.2392      1.52517  12.7469      1.47326  3.46823  0.219878  3.54266  0.207931  
1 1 1 23 12 33 o 0.852504 0.337953  0.452754     0.855804 -1.17277     1.17932  2.26103      1.24384  0.696667 0.327425  1.43525  0.411756  
1 1 1 23 12 34 o 2.75686  0.175934  7.71808      0.97005  8.03363      1.35387  7.38519      1.39058  2.79378  0.242301  2.67287  0.260128  
1 1 1 23 12 35 o 1.70115  0.283019  3.02779      0.962919 2.51991      1.30634  3.63207      1.42492  1.48828  0.420384  1.79131  0.406896  
1 1 1 23 12 36 o 1.3402   0.344783  2.00609      0.929297 1.30581      1.29401  2.75189      1.33542  1.15242  0.425364  1.54347  0.42104   
1 1 1 23 12 37 o 1.17189  0.375727  1.52506      0.995555 0.864501     1.38444  2.23243      1.43265  1.06126  0.426517  1.38482  0.451244  
1 1 1 23 12 38 o 1.03291  0.37567   1.08375      1.0059   0.346674     1.36559  1.95806      1.48729  0.949969 0.405715  1.3017   0.458434  
1 1 1 23 12 39 o 2.58796  0.207587  7.02002      1.07445  6.76282      1.48198  7.30502      1.56004  2.47921  0.298881  2.57333  0.303116  
1 1 1 23 12 40 o 0.983251 0.373698  1.0061       1.01619  1.43549      1.43111  0.569443     1.44317  1.12812  0.439805  0.968168 0.415397  
1 1 1 23 12 41 o 0.91911  0.371988  0.815687     1.06353  0.828282     1.48522  0.802432     1.52364  0.983695 0.421711  0.984906 0.42479   
1 1 1 23 12 42 o 0.973459 0.370287  1.16043      0.998413 0.554608     1.39467  1.79729      1.42993  0.900093 0.397055  1.12569  0.439467  
1 1 1 23 12 43 o 0.798991 0.354089  0.451917     1.12661  -0.0172455   1.57256  0.946632     1.61482  0.810076 0.380153  0.925921 0.416375  
1 1 1 23 12 44 o 0.606865 0.295482  -0.858633    1.14893  -1.1578      1.62249  -0.557726    1.62719  0.677907 0.333859  0.719334 0.350494  
1 1 1 23 12 45 o 0.564169 0.27962   -1.31259     1.18571  -1.21477     1.65167  -1.4166      1.7032   0.653866 0.325026  0.650156 0.324129  
1 1 1 23 13 0  o 6.2659   0.0902902 39.2889      1.13097  39.2889      1.13097  39.2889      1.13097  6.26699  0.0638187 ?        ?         
1 1 1 23 13 1  o 18.3215  0.125973  335.773      4.61601  333.084      6.48371  338.538      6.57326  18.2452  0.177682  18.3939  0.17868   
1 1 1 23 13 2  o 9.41457  0.0702302 88.642       1.32237  88.7655      1.87765  88.5205      1.86268  9.42069  0.0996558 9.40769  0.0989975 
1 1 1 23 13 3  o 16.9438  0.119729  287.163      4.05731  284.979      5.83898  289.202      5.64191  16.8768  0.172988  17.0018  0.165921  
1 1 1 23 13 4  o 6.0934   0.0600887 37.1317      0.732289 38.7934      1.07001  35.6678      1.00433  6.22804  0.0859025 5.97189  0.0840885 
1 1 1 23 13 5  o 4.13074  0.0653806 17.0642      0.54014  19.3502      0.847144 15.4982      0.701147 4.39855  0.096298  3.93652  0.0890567 
1 1 1 23 13 6  o 16.768   0.123276  281.229      4.13418  282.757      5.95456  279.807      5.74432  16.8113  0.1771    16.7236  0.171743  
1 1 1 23 13 7  o 12.8716  0.103128  165.705      2.65486  164.395      3.7906   166.966      3.71948  12.8196  0.147844  12.9195  0.143948  
1 1 1 23 13 8  o 23.0414  0.161187  531.11       7.42797  530.818      10.5102  531.401      10.4993  23.0305  0.22818   23.0431  0.227819  
1 1 1 23 13 9  o 2.38688  0.0847713 5.6978       0.404678 5.64352      0.581004 5.74895      0.563978 2.37534  0.122299  2.39745  0.117621  
1 1 1 23 13 10 o 19.5831  0.13252   383.598      5.1903   383.004      7.3255   384.197      7.35498  19.5652  0.187207  19.5957  0.187669  
1 1 1 23 13 11 o 19.8068  0.133921  392.419      5.3051   394.488      7.53655  390.387      7.46898  19.856   0.189781  19.7525  0.189064  
1 1 1 23 13 12 o 8.26764  0.0737705 68.3604      1.21982  70.2109      1.74529  66.5931      1.70556  8.37838  0.104154  8.15967  0.104512  
1 1 1 23 13 13 o 14.5849  0.104728  212.766      3.05488  213.618      4.43543  211.997      4.21362  14.6123  0.15177   14.5571  0.144728  
1 1 1 23 13 14 o 20.5225  0.144051  421.357      5.91258  421.007      8.45187  421.693      8.27426  20.5093  0.20605   20.5264  0.201552  
1 1 1 23 13 15 o 1.65458  0.178413  2.73955      0.590398 2.79449      0.828701 2.68293      0.841339 1.67054  0.248034  1.63677  0.257012  
1 1 1 23 13 16 f 18.2792  0.138562  334.287      5.0656   337.135      7.21862  331.523      7.11031  18.3526  0.196665  18.1993  0.195346  
1 1 1 23 13 17 o 7.30653  0.0821426 53.3952      1.20035  52.6377      1.72412  54.1077      1.67218  7.25378  0.118843  7.35449  0.113684  
1 1 1 23 13 18 o 9.82571  0.0999857 96.5746      1.96486  93.9191      2.66974  99.7128      2.90227  9.68833  0.137781  9.98235  0.14537   
1 1 1 23 13 19 o 7.23469  0.0931014 52.358       1.34712  52.9835      1.85596  51.6615      1.9584   7.27672  0.127527  7.18505  0.136283  
1 1 1 23 13 20 o 1.92293  0.205213  3.70498      0.789219 3.22985      1.12206  4.17018      1.11028  1.76429  0.330218  2.03853  0.272323  
1 1 1 23 13 21 o 8.00211  0.0892448 64.0623      1.42829  62.1661      1.95858  66.216       2.08739  7.88115  0.124257  8.13359  0.128319  
1 1 1 23 13 22 o 1.71838  0.228744  2.96309      0.786141 2.78294      1.05374  3.18921      1.18058  1.63264  0.334236  1.74837  0.349982  
1 1 1 23 13 23 o 2.49749  0.158992  6.25037      0.794162 5.77419      1.09358  6.7817       1.15518  2.39781  0.228038  2.59887  0.222246  
1 1 1 23 13 24 o 0.810045 0.325889  0.305175     0.809422 0.116113     1.12428  0.508623     1.16627  0.888029 0.373184  0.985274 0.393279  
1 1 1 23 13 25 o 5.96032  0.0911888 35.5616      1.08703  37.0248      1.4991   33.9391      1.57855  6.07913  0.123299  5.81915  0.135634  
1 1 1 23 13 26 o 3.23707  0.129476  10.5042      0.838247 11.68        1.19465  9.36387      1.17648  3.40995  0.175171  3.05174  0.192756  
1 1 1 23 13 27 o 4.35165  0.101342  18.9707      0.882015 18.4177      1.24448  19.5289      1.25026  4.28368  0.145258  4.4114   0.141707  
1 1 1 23 13 28 o 7.25395  0.0894598 52.7051      1.29787  52.5424      1.80798  52.878       1.86426  7.23723  0.124908  7.25967  0.128398  
1 1 1 23 13 29 o 4.49483  0.109634  20.2606      0.985568 20.3859      1.41629  20.143       1.37235  4.502    0.157296  4.47575  0.15331   
1 1 1 23 13 30 o 3.62489  0.131235  13.2042      0.951423 12.6439      1.34101  13.7722      1.35007  3.53792  0.18952   3.69371  0.182752  
1 1 1 23 13 31 f 2.33034  0.186278  5.49229      0.868186 4.39432      1.18783  6.75159      1.2721   2.06811  0.287176  2.57238  0.247262  
1 1 1 23 13 32 o 2.52058  0.19469   6.43937      0.981461 7.73184      1.46248  5.38032      1.32385  2.74568  0.266324  2.28519  0.289657  
1 1 1 23 13 33 f 2.19253  0.194648  4.88042      0.853545 4.08367      1.19057  5.723        1.22433  1.98488  0.299909  2.36025  0.259365  
1 1 1 23 13 34 o 0.865015 0.345194  0.467831     0.898311 0.0481589    1.25725  0.905533     1.28398  0.894784 0.385897  1.07153  0.416822  
1 1 1 23 13 35 o 0.641544 0.297015  -0.664178    0.904471 -0.931771    1.2134   -0.329594    1.35681  0.73086  0.34053   0.861676 0.384734  
1 1 1 23 13 36 o 0.801518 0.340214  0.154806     0.949875 0.251371     1.31152  0.0482719    1.37756  0.934289 0.398265  0.919286 0.40029   
1 1 1 23 13 37 o 0.659352 0.304868  -0.635853    0.94898  -0.98462     1.3351   -0.279716    1.34913  0.759187 0.355071  0.854803 0.382601  
1 1 1 23 13 38 o 2.32329  0.224599  5.63821      1.04361  4.61012      1.41738  6.85551      1.5423   2.00917  0.366302  2.51571  0.306534  
1 1 1 23 13 39 o 2.55824  0.202337  6.8561       1.03525  7.41069      1.48778  6.3355       1.44146  2.60129  0.285969  2.39395  0.301063  
1 1 1 23 13 40 o 0.988664 0.370773  1.05078      0.990985 0.93198      1.38607  1.17501      1.41738  1.01799  0.420231  1.0687   0.430709  
1 1 1 23 13 41 o 0.871255 0.362521  0.637978     1.04437  0.0238128    1.48398  1.24068      1.47006  0.860588 0.391627  1.04447  0.432064  
1 1 1 23 13 42 o 1.19986  0.386595  2.00511      1.05304  1.12948      1.42243  3.06695      1.56639  0.983761 0.416884  1.37615  0.471818  
1 1 1 23 13 43 o 1.15046  0.427591  2.1958       1.31213  1.96795      1.84205  2.43049      1.86952  1.0628   0.462832  1.1277   0.477909  
1 1 1 23 13 44 f 0.578712 0.283044  -0.982792    1.09407  -1.50564     1.5707   -0.490054    1.5248   0.641684 0.318693  0.702805 0.341699  
1 1 1 23 13 45 o 0.616906 0.301134  -0.546131    1.22127  0.0852759    1.6778   -1.25768     1.78109  0.716882 0.350596  0.649337 0.324669  
1 1 1 23 14 0  o 16.3501  0.164068  267.468      5.36386  267.468      5.36386  267.468      5.36386  16.3523  0.115986  ?        ?         
1 1 1 23 14 1  o 14.9008  0.105134  222.076      3.13315  217.126      4.38797  227.225      4.47521  14.7324  0.148923  15.0712  0.148469  
1 1 1 23 14 2  o 21.7433  0.150185  472.949      6.53103  471.292      9.31861  474.548      9.15609  21.7009  0.214706  21.7761  0.210233  
1 1 1 23 14 3  o 8.70141  0.0706417 75.7206      1.22936  75.0244      1.72816  76.4337      1.7492   8.66096  0.099767  8.74192  0.100047  
1 1 1 23 14 4  o 5.1914   0.0596851 26.9521      0.619698 27.6076      0.891044 26.338       0.862428 5.254    0.0847968 5.13177  0.0840283 
1 1 1 23 14 5  o 11.4113  0.0868449 130.232      1.98202  128.539      2.77744  131.989      2.82929  11.3362  0.122503  11.4873  0.123148  
1 1 1 23 14 6  o 31.2791  0.22783   979.127      14.2526  975.435      20.0878  982.87       20.2255  31.2079  0.321838  31.3264  0.322818  
1 1 1 23 14 7  o 13.8335  0.105344  191.398      2.91457  191.278      4.12236  191.518      4.12129  13.828   0.149058  13.8367  0.148926  
1 1 1 23 14 8  o 3.51778  0.0630675 12.3755      0.443715 12.6243      0.631706 12.1332      0.623393 3.55286  0.088901  3.48306  0.0894891 
1 1 1 23 14 9  o 24.2705  0.164274  589.295      7.97403  589.063      11.1681  589.537      11.3891  24.2608  0.230167  24.2702  0.234632  
1 1 1 23 14 10 o 29.7693  0.198241  886.746      11.803   895.91       16.8543  877.927      16.5341  29.9131  0.281722  29.6117  0.279182  
1 1 1 23 14 11 o 27.4686  0.183372  754.955      10.0739  755.922      14.2637  753.991      14.2297  27.4781  0.259547  27.443   0.25926   
1 1 1 23 14 12 o 6.68112  0.0642521 44.6408      0.858551 45.2443      1.22387  44.0561      1.2047   6.72586  0.0909828 6.63696  0.0907572 
1 1 1 23 14 13 o 5.98501  0.0691462 35.8239      0.827681 34.7864      1.12419  37.052       1.22309  5.89745  0.0953118 6.0864   0.100477  
1 1 1 23 14 14 o 9.7078   0.0784237 94.2537      1.52264  92.8165      2.15059  95.6984      2.15611  9.63283  0.111628  9.78127  0.110216  
1 1 1 23 14 15 o 7.21041  0.0757524 51.9969      1.09241  52.7416      1.55909  51.2787      1.5311   7.26137  0.107355  7.15997  0.106921  
1 1 1 23 14 16 o 8.24195  0.0838494 67.9421      1.38217  70.9174      2.04621  65.4453      1.87442  8.41964  0.121514  8.08842  0.115871  
1 1 1 23 14 17 o 15.7913  0.122132  249.473      3.85725  252.818      5.58641  246.425      5.3324   15.8931  0.175749  15.6914  0.169915  
1 1 1 23 14 18 o 9.27509  0.0934608 86.0523      1.73372  87.3169      2.47131  84.8268      2.43283  9.34163  0.132274  9.20747  0.132112  
1 1 1 23 14 19 o 11.3073  0.0984534 127.906      2.22648  127.31       3.11825  128.527      3.1801   11.2786  0.138237  11.3322  0.140312  
1 1 1 23 14 20 o 10.4965  0.0953749 110.227      2.0022   113.615      2.85891  106.965      2.80495  10.6542  0.134168  10.3376  0.135667  
1 1 1 23 14 21 o 6.90372  0.0890524 47.6838      1.22959  46.8276      1.64238  48.7758      1.85471  6.84013  0.120055  6.9803   0.132853  
1 1 1 23 14 22 o 3.06338  0.131295  9.39574      0.804414 9.58242      1.09582  9.1776       1.18458  3.09207  0.177199  3.0253   0.195779  
1 1 1 23 14 23 o 1.08965  0.329833  1.20672      0.780194 0.741348     1.0601   1.75664      1.15239  1.00942  0.382259  1.31343  0.40152   
1 1 1 23 14 24 o 6.32406  0.0898138 40.029       1.13598  39.478       1.58382  40.6128      1.63021  6.27769  0.126146  6.36711  0.128018  
1 1 1 23 14 25 o 3.7377   0.112882  13.9937      0.843841 14.2025      1.17823  13.7737      1.20911  3.7626   0.156571  3.70485  0.16318   
1 1 1 23 14 26 o 3.33951  0.125519  11.179       0.838346 10.7583      1.14774  11.6602      1.22747  3.27227  0.175374  3.40623  0.18018   
1 1 1 23 14 27 o 1.75299  0.215127  3.0989       0.75423  2.3749       1.05513  3.85539      1.07854  1.49442  0.35733   1.94993  0.27656   
1 1 1 23 14 28 o 2.33948  0.171723  5.50685      0.803484 5.17077      1.13803  5.84088      1.13457  2.25913  0.251874  2.40295  0.236079  
1 1 1 23 14 29 o 6.3098   0.100632  39.9136      1.26994  41.1546      1.80312  38.6921      1.7889   6.39948  0.14088   6.20435  0.144165  
1 1 1 23 14 30 o 1.47585  0.281995  2.29836      0.802592 3.10204      1.11578  1.43672      1.15532  1.70544  0.339168  1.20139  0.405222  
1 1 1 23 14 31 o 1.44951  0.318692  2.25458      0.898853 2.91321      1.24177  1.52966      1.30276  1.63429  0.385667  1.24217  0.429858  
1 1 1 23 14 32 o 0.911613 0.343734  0.663504     0.854113 0.334329     1.19578  1.00637      1.2204   0.938225 0.388991  1.0936   0.411195  
1 1 1 23 14 33 o 0.568738 0.26902   -0.924769    0.817862 -2.37032     1.15785  0.514713     1.15542  0.574933 0.283163  0.959052 0.387901  
1 1 1 23 14 34 o 1.42827  0.329334  2.23334      0.922175 1.56148      1.29151  2.93216      1.31717  1.22943  0.427752  1.61309  0.407823  
1 1 1 23 14 35 o 1.83579  0.247254  3.49433      0.907816 3.82167      1.23417  3.10842      1.34005  1.86516  0.343741  1.65136  0.407665  
1 1 1 23 14 36 o 2.06555  0.240297  4.44203      0.992692 3.01762      1.35996  6.06654      1.45234  1.60985  0.418557  2.3857   0.304385  
1 1 1 23 14 37 f 1.31181  0.357374  1.95506      0.962874 1.96379      1.36497  1.94641      1.35847  1.31162  0.440457  1.30686  0.439407  
1 1 1 23 14 38 o 0.897306 0.362598  0.566531     1.00831  0.149102     1.3618   1.0731       1.50017  0.912265 0.397608  1.10601  0.4442    
1 1 1 23 14 39 f 2.61572  0.194338  7.15465      1.01667  7.33559      1.44132  6.97547      1.43428  2.59042  0.278203  2.52116  0.284447  
1 1 1 23 14 40 o 1.77758  0.296056  3.55769      1.05253  3.49494      1.48036  3.62183      1.49677  1.62053  0.443851  1.65089  0.44371   
1 1 1 23 14 41 o 1.21993  0.37935   1.95951      1.02275  1.85357      1.44701  2.06526      1.44578  1.15986  0.444438  1.20744  0.448825  
1 1 1 23 14 42 o 0.828792 0.358931  0.531152     1.09635  -0.537996    1.48392  1.8162       1.62686  0.764702 0.362023  1.09448  0.453745  
1 1 1 23 14 43 o 0.587627 0.288705  -1.42339     1.16513  -3.21606     1.6791   0.24135      1.61808  0.607495 0.305715  0.835178 0.390722  
1 1 1 23 14 44 o 0.673011 0.315496  0.0244951    1.07273  0.959871     1.52678  -0.887447    1.50754  0.829481 0.384741  0.664247 0.327008  
1 1 1 23 14 45 o 0.651326 0.314758  0.0267201    1.24501  2.10807      1.71408  -2.29758     1.81136  0.846812 0.397302  0.588171 0.298794  
1 1 1 23 15 0  o 13.0373  0.127665  170.042      3.32809  170.042      3.32809  170.042      3.32809  13.0386  0.0902535 ?        ?         
1 1 1 23 15 1  o 19.6041  0.13303   384.425      5.21588  384.627      7.30241  384.214      7.45261  19.6066  0.186224  19.5958  0.190158  
1 1 1 23 15 2  o 13.6087  0.0949101 185.222      2.58321  186.469      3.63857  183.955      3.66802  13.6535  0.133247  13.5611  0.135241  
1 1 1 23 15 3  o 16.6048  0.119239  275.777      3.95988  277.505      5.5683   274.009      5.63249  16.655   0.167166  16.5496  0.17017   
1 1 1 23 15 4  o 5.60161  0.062922  31.3799      0.704929 29.5505      0.952271 33.5976      1.0485   5.43573  0.0875937 5.79599  0.0904508 
1 1 1 23 15 5  o 17.6495  0.126352  311.578      4.46011  313.272      6.26736  309.839      6.34853  17.6954  0.177091  17.598   0.180377  
1 1 1 23 15 6  o 22.4837  0.163116  505.717      7.33491  506.574      10.2667  504.822      10.483   22.4984  0.228164  22.459   0.23338   
1 1 1 23 15 7  o 9.05582  0.0742434 82.0147      1.34467  80.5824      1.87813  83.521       1.92608  8.97603  0.104619  9.13821  0.105386  
1 1 1 23 15 8  o 11.0697  0.0858019 122.551      1.89959  123.144      2.84239  122.072      2.55362  11.0956  0.128086  11.0475  0.115574  
1 1 1 23 15 9  o 11.5048  0.0847704 132.374      1.95053  132.308      2.76288  132.439      2.75406  11.5012  0.120112  11.5069  0.119669  
1 1 1 23 15 10 o 16.5798  0.114982  274.948      3.81275  276.407      5.48106  273.581      5.30722  16.6217  0.164877  16.5367  0.160468  
1 1 1 23 15 11 o 8.29286  0.0700422 68.7778      1.1617   69.0835      1.65681  68.4821      1.62932  8.31088  0.0996772 8.27465  0.0984525 
1 1 1 23 15 12 o 13.454   0.0970037 181.045      2.61018  180.197      3.63374  181.948      3.75178  13.4212  0.135373  13.4862  0.139097  
1 1 1 23 15 13 o 1.8015   0.147599  3.2469       0.531798 2.57804      0.73479  3.98263      0.770643 1.60473  0.228944  1.99486  0.193157  
1 1 1 23 15 14 o 13.2771  0.0980065 176.318      2.60248  178.665      3.71931  174.067      3.64282  13.3637  0.139157  13.1907  0.138083  
1 1 1 23 15 15 o 4.55686  0.087912  20.7689      0.801205 21.5269      1.1079   19.9379      1.16005  4.63889  0.119415  4.46427  0.129926  
1 1 1 23 15 16 o 9.94723  0.0869614 98.9676      1.73005  100.716      2.50787  97.3802      2.38972  10.0336  0.124974  9.86616  0.121107  
1 1 1 23 15 17 o 14.9713  0.119135  224.239      3.56724  224.015      5.32472  224.421      4.8049   14.9598  0.177967  14.9748  0.160433  
1 1 1 23 15 18 o 11.569   0.100267  133.89       2.31998  133.763      3.28317  134.018      3.27873  11.5613  0.14199   11.5723  0.141662  
1 1 1 23 15 19 o 5.17782  0.0920936 26.8201      0.953687 27.1425      1.3299   26.4789      1.36836  5.2079   0.127681  5.14367  0.133014  
1 1 1 23 15 20 o 3.93485  0.109506  15.4931      0.861776 14.7414      1.23352  16.2097      1.20447  3.8368   0.160749  4.02372  0.149671  
1 1 1 23 15 21 o 4.06714  0.1084    16.5539      0.881756 16.7853      1.24102  16.318       1.25305  4.09399  0.151566  4.03645  0.155217  
1 1 1 23 15 22 o 1.58691  0.235132  2.52892      0.74627  2.2746       0.987417 2.86769      1.13965  1.47254  0.341604  1.65381  0.354789  
1 1 1 23 15 23 o 6.22201  0.0907433 38.745       1.12921  38.9616      1.55186  38.5013      1.64621  6.23717  0.124404  6.19956  0.132768  
1 1 1 23 15 24 o 1.80617  0.205716  3.27801      0.743114 2.87524      1.01598  3.74137      1.08973  1.65936  0.317465  1.92543  0.282984  
1 1 1 23 15 25 o 1.85058  0.202284  3.44402      0.748685 4.26464      1.06446  2.64063      1.05323  2.05558  0.25892   1.58212  0.342525  
1 1 1 23 15 26 o 2.6258   0.149375  6.9195       0.784456 7.94083      1.08225  5.78887      1.13868  2.80951  0.192604  2.39507  0.237714  
1 1 1 23 15 27 o 5.19865  0.0945164 27.0722      0.982716 27.4421      1.38049  26.6922      1.39924  5.22981  0.131983  5.15737  0.135654  
1 1 1 23 15 28 o 3.73899  0.115909  14.0208      0.866768 13.2674      1.20774  14.821       1.24468  3.63164  0.16628   3.83895  0.162112  
1 1 1 23 15 29 o 7.71869  0.101829  59.7409      1.57198  61.5078      2.23431  58.009       2.21209  7.82184  0.142825  7.59532  0.145622  
1 1 1 23 15 30 o 1.77215  0.224649  3.18888      0.796224 2.68892      1.11482  3.70946      1.13759  1.57913  0.360737  1.90018  0.299336  
1 1 1 23 15 31 o 2.96314  0.163657  8.86519      0.969873 8.42998      1.32423  9.36878      1.42447  2.87589  0.230229  3.0306   0.235014  
1 1 1 23 15 32 o 1.87777  0.230809  3.59889      0.866814 4.21408      1.21534  2.96194      1.23666  2.01758  0.301188  1.64445  0.382823  
1 1 1 23 15 33 o 0.628997 0.287831  -0.520201    0.82033  -1.06887     1.17825  -0.0040457   1.1428   0.705744 0.330807  0.849827 0.367227  
1 1 1 23 15 34 o 1.83599  0.259811  3.49644      0.954023 3.29188      1.30065  3.73467      1.40361  1.71439  0.388283  1.82476  0.395727  
1 1 1 23 15 35 o 2.12491  0.218266  4.64848      0.927591 3.88478      1.2946   5.4542       1.32973  1.87221  0.358528  2.27544  0.292192  
1 1 1 23 15 36 o 2.83667  0.182317  8.24592      1.03435  6.86318      1.44987  9.67909      1.47607  2.54426  0.284928  3.04548  0.242338  
1 1 1 23 15 37 o 1.90347  0.251795  3.81006      0.958569 4.60367      1.34586  2.99298      1.3656   2.05807  0.326971  1.58893  0.422364  
1 1 1 23 15 38 o 2.0307   0.250817  4.38329      1.01867  4.7476       1.38872  3.95891      1.49881  2.06597  0.336094  1.80787  0.42183   
1 1 1 23 15 39 o 0.776566 0.33479   0.164679     0.945632 -0.874682    1.32937  1.22929      1.34542  0.746147 0.350039  1.08413  0.425642  
1 1 1 23 15 40 o 0.800592 0.347363  0.22678      1.03043  0.361532     1.43725  0.0842632    1.47809  0.919049 0.404442  0.887308 0.398721  
1 1 1 23 15 41 o 1.00781  0.372768  1.2496       0.994828 2.38285      1.40629  0.114376     1.40751  1.28167  0.446314  0.851297 0.385443  
1 1 1 23 15 42 o 0.612558 0.297704  -1.21591     1.15545  -2.67152     1.55144  0.597036     1.73143  0.618299 0.308402  0.91496  0.418469  
1 1 1 23 15 43 o 0.753129 0.342761  0.216166     1.13741  0.0643945    1.66071  0.350258     1.56099  0.815687 0.38487   0.832783 0.38733   
1 1 1 23 15 44 o 0.758039 0.340361  0.63459      1.07514  0.363736     1.53111  0.898048     1.51006  0.765586 0.364899  0.81915  0.380978  
1 1 1 23 16 0  o 3.14273  0.0890632 9.90112      0.558787 9.90112      0.558787 9.90112      0.558787 3.14467  0.0628807 ?        ?         
1 1 1 23 16 1  o 10.0445  0.074623  100.9        1.4991   99.7963      2.15051  101.942      2.09083  9.98895  0.107645  10.0958  0.103549  
1 1 1 23 16 2  o 17.9837  0.121439  323.483      4.36784  320.237      6.12002  326.853      6.23573  17.8913  0.171034  18.0751  0.172495  
1 1 1 23 16 3  o 28.2865  0.196571  800.581      11.1206  797.129      15.6567  804.095      15.7981  28.2172  0.277432  28.3401  0.278723  
1 1 1 23 16 4  o 6.37314  0.0666132 40.6196      0.84907  40.1184      1.15471  41.2096      1.25281  6.33351  0.091159  6.41901  0.0975859 
1 1 1 23 16 5  o 22.7434  0.159396  517.458      7.2504   513.662      10.186   521.356      10.3226  22.6555  0.224803  22.8244  0.22613   
1 1 1 23 16 6  o 21.2988  0.154956  453.802      6.60077  450.662      9.16429  457.187      9.5154   21.2213  0.215922  21.3739  0.222594  
1 1 1 23 16 7  o 17.6129  0.126776  310.288      4.46578  310.024      6.38413  310.541      6.24917  17.6031  0.181336  17.6179  0.177352  
1 1 1 23 16 8  o 13.7996  0.104413  190.46       2.8817   188.017      4.07742  192.897      4.07327  13.7096  0.148707  13.8864  0.146664  
1 1 1 23 16 9  o 32.9352  0.22158   1085.6       14.5956  1080.23      20.3463  1091.29      20.9495  32.8405  0.309774  33.007   0.31735   
1 1 1 23 16 10 o 7.1726   0.0645375 51.4501      0.925803 52.6112      1.35357  50.4293      1.26908  7.25279  0.0933138 7.10085  0.089361  
1 1 1 23 16 11 o 11.4491  0.0840643 131.101      1.92493  131.648      2.73549  130.565      2.70921  11.4721  0.119223  11.4249  0.118566  
1 1 1 23 16 12 o 12.7472  0.0960006 162.524      2.44749  161.08       3.5228   163.87       3.40285  12.6892  0.138811  12.7988  0.132936  
1 1 1 23 16 13 o 7.94214  0.0725956 63.0847      1.15313  64.5763      1.65352  61.6726      1.60893  8.03501  0.102895  7.85229  0.10245   
1 1 1 23 16 14 o 11.2906  0.0924256 127.503      2.08708  128.022      2.96171  126.991      2.94155  11.3124  0.130905  11.2668  0.130541  
1 1 1 23 16 15 o 3.13683  0.108356  9.84268      0.679788 8.29765      0.955216 11.4281      0.967636 2.87953  0.165863  3.37965  0.143156  
1 1 1 23 16 16 o 13.5616  0.104028  183.976      2.82157  186.151      4.02261  181.868      3.95877  13.6394  0.147463  13.4816  0.146821  
1 1 1 23 16 17 o 5.40729  0.0988009 29.2481      1.06849  28.6788      1.53747  29.7799      1.48599  5.35344  0.143597  5.45544  0.136193  
1 1 1 23 16 18 o 1.78365  0.208442  3.18702      0.743577 3.79421      1.06364  2.60663      1.03991  1.94489  0.273445  1.58031  0.338811  
1 1 1 23 16 19 o 8.15382  0.0874707 66.5097      1.42644  65.9071      1.98457  67.1538      2.05169  8.11535  0.122272  8.19159  0.125232  
1 1 1 23 16 20 o 4.35818  0.111423  19.0073      0.9712   21.1268      1.38165  16.9371      1.36547  4.59341  0.150394  4.11222  0.166026  
1 1 1 23 16 21 o 3.68151  0.108846  13.5644      0.801437 13.5966      1.10416  13.5286      1.1651   3.68451  0.149838  3.67496  0.158518  
1 1 1 23 16 22 o 1.21489  0.307142  1.54557      0.74711  0.867733     0.992843 2.43046      1.13439  1.02519  0.373189  1.52005  0.374977  
1 1 1 23 16 23 o 4.01983  0.106048  16.1782      0.852589 15.6016      1.18165  16.8045      1.23137  3.94524  0.149757  4.09447  0.15037   
1 1 1 23 16 24 o 7.71491  0.085113  59.5724      1.31328  59.2446      1.80691  59.9395      1.91206  7.69056  0.117476  7.73483  0.1236    
1 1 1 23 16 25 o 0.902528 0.323525  0.701426     0.743659 0.921235     1.02656  0.458688     1.07877  1.04443  0.379543  0.942711 0.377483  
1 1 1 23 16 26 o 5.62944  0.0900593 31.7344      1.01397  32.0606      1.40522  31.3801      1.46455  5.65471  0.124252  5.59356  0.130914  
1 1 1 23 16 27 o 6.11562  0.0896965 37.461       1.0971   40.7296      1.56538  34.3054      1.53805  6.37241  0.122825  5.84701  0.131524  
1 1 1 23 16 28 o 7.89911  0.0904932 62.5127      1.42963  60.8591      1.95202  64.4259      2.09965  7.7873   0.125334  8.01092  0.131049  
1 1 1 23 16 29 o 5.95555  0.103197  35.5736      1.2292   35.9422      1.84162  35.2774      1.6507   5.97567  0.154093  5.92366  0.139331  
1 1 1 23 16 30 o 0.973347 0.337319  0.897777     0.802475 0.938809     1.12339  0.855023     1.14671  1.05922  0.395253  1.04358  0.396873  
1 1 1 23 16 31 o 3.48377  0.145309  12.2287      1.01244  12.3272      1.405    12.1223      1.46022  3.48548  0.20155   3.45387  0.211389  
1 1 1 23 16 32 o 1.10727  0.348629  1.2828       0.860233 0.886837     1.22157  1.67231      1.2116   1.06228  0.407974  1.2641   0.414973  
1 1 1 23 16 33 o 1.19182  0.333149  1.5453       0.824624 1.0563       1.15128  2.0605       1.18171  1.08067  0.400751  1.3654   0.404451  
1 1 1 23 16 34 o 2.57815  0.195344  6.79219      1.00725  6.08196      1.38202  7.59692      1.47109  2.40983  0.286746  2.6992   0.272505  
1 1 1 23 16 35 o 1.19447  0.35727   1.57524      0.919064 0.927815     1.28843  2.24593      1.31138  1.06467  0.416847  1.40193  0.428273  
1 1 1 23 16 36 o 1.12752  0.371112  1.38753      0.969009 1.27012      1.39425  1.49722      1.3477   1.14919  0.437447  1.19593  0.434849  
1 1 1 23 16 37 o 2.00927  0.243679  4.24592      0.979237 4.4197       1.37188  4.06541      1.39819  1.97155  0.361396  1.87351  0.386346  
1 1 1 23 16 38 f 2.13576  0.235645  4.8307       1.00656  4.5148       1.35628  5.21804      1.50182  1.97599  0.356197  2.14937  0.349361  
1 1 1 23 16 39 o 1.14599  0.366962  1.56498      0.949866 1.30156      1.33234  1.83725      1.35456  1.09515  0.42489   1.22171  0.436767  
1 1 1 23 16 40 o 2.1964   0.250426  5.30448      1.10007  4.25087      1.55883  6.34979      1.55267  1.77611  0.440436  2.32109  0.33447   
1 1 1 23 16 41 o 0.508353 0.251972  -1.84067     0.963228 -1.99183     1.3112   -1.66347     1.41968  0.613704 0.302272  0.668971 0.32621   
1 1 1 23 16 42 o 0.937847 0.378263  1.15191      1.0944   1.45355      1.47081  0.777751     1.63811  1.00589  0.42497   0.916591 0.415371  
1 1 1 23 16 43 o 0.570038 0.28079   -1.31862     1.11769  -1.09305     1.64588  -1.51167     1.52262  0.702313 0.344435  0.652041 0.321637  
1 1 1 23 16 44 o 1.02523  0.387533  1.90951      1.08789  -0.186172    1.5559   3.91403      1.52168  0.725206 0.350704  1.34927  0.464799  
1 1 1 23 17 0  o 6.30678  0.0908459 39.8026      1.14535  39.8026      1.14535  39.8026      1.14535  6.30785  0.0642118 ?        ?         
1 1 1 23 17 1  o 39.6956  0.263449  1577.35      20.9155  1565.64      29.3527  1589.43      29.8107  39.5272  0.371297  39.8256  0.374265  
1 1 1 23 17 2  o 17.1297  0.12019   293.489      4.11765  296.542      5.81648  290.422      5.83     17.2167  0.16892   17.038   0.171088  
1 1 1 23 17 3  o 21.3608  0.149696  456.435      6.39525  451.656      8.9556   461.407      9.13558  21.2451  0.210769  21.473   0.212722  
1 1 1 23 17 4  o 11.7669  0.088625  138.476      2.08568  135.606      2.92839  141.43       2.97127  11.6436  0.125751  11.891   0.124938  
1 1 1 23 17 5  o 8.54921  0.0704644 73.0944      1.20483  72.3352      1.66505  73.9287      1.74557  8.50439  0.0978936 8.59751  0.101516  
1 1 1 23 17 6  o 16.9047  0.124737  285.834      4.21728  285.061      5.87573  286.655      6.05664  16.8798  0.174046  16.9267  0.178908  
1 1 1 23 17 7  o 5.58407  0.0635927 31.1838      0.710213 30.798       1.00001  31.5765      1.00883  5.54924  0.0901035 5.61894  0.0897706 
1 1 1 23 17 8  o 4.26827  0.0698601 18.2196      0.596363 18.1452      0.8115   18.3069      0.87935  4.25939  0.0952601 4.27828  0.102769  
1 1 1 23 17 9  o 21.4957  0.144646  462.237      6.21853  462.701      8.80401  461.774      8.78468  21.5024  0.204722  21.4808  0.204477  
1 1 1 23 17 10 o 8.03352  0.0681817 64.5433      1.09548  64.2863      1.57548  64.7838      1.52427  8.01711  0.0982572 8.04813  0.0946971 
1 1 1 23 17 11 o 23.5085  0.157811  552.934      7.41978  557.078      10.564   548.9        10.4237  23.5902  0.223907  23.4166  0.222571  
1 1 1 23 17 12 o 9.32407  0.0775691 86.9495      1.44652  85.3233      1.95437  88.9195      2.15113  9.23595  0.105802  9.42839  0.114077  
1 1 1 23 17 13 o 23.418   0.164978  548.739      7.7269   553.325      11.2759  544.68       10.6095  23.5075  0.239836  23.3247  0.22743   
1 1 1 23 17 14 o 15.5503  0.117153  241.893      3.64353  241.923      5.15535  241.863      5.15013  15.5486  0.165782  15.5466  0.165635  
1 1 1 23 17 15 o 9.29551  0.0812537 86.4221      1.51059  86.8004      2.17332  86.0686      2.1011   9.31492  0.116658  9.27567  0.113259  
1 1 1 23 17 16 o 14.0041  0.105735  196.182      2.96146  193.579      4.0905   199.048      4.2931   13.9086  0.147049  14.1034  0.152201  
1 1 1 23 17 17 o 1.62577  0.232734  2.64834      0.756746 2.00562      1.07388  3.28233      1.06656  1.38974  0.376881  1.80885  0.294818  
1 1 1 23 17 18 f 5.42114  0.0872426 29.3988      0.945908 30.044       1.34969  28.7759      1.32606  5.47935  0.123161  5.36246  0.123643  
1 1 1 23 17 19 o 3.25924  0.129535  10.632       0.84437  11.0759      1.19728  10.1928      1.19099  3.32522  0.18003   3.1897   0.186693  
1 1 1 23 17 20 o 8.10583  0.0921754 65.7388      1.49432  66.2926      2.11592  65.1878      2.11066  8.13777  0.130006  8.06962  0.130778  
1 1 1 23 17 21 f 5.06202  0.0883591 25.6387      0.89455  26.1375      1.26253  25.1357      1.26765  5.1096   0.123545  5.01059  0.126497  
1 1 1 23 17 22 o 7.33824  0.0880755 53.8883      1.29264  53.9022      1.79916  53.8735      1.85841  7.33672  0.122613  7.33443  0.126691  
1 1 1 23 17 23 o 5.87684  0.0851369 34.5649      1.00067  33.9606      1.39442  35.2067      1.43687  5.82296  0.119734  5.92872  0.121179  
1 1 1 23 17 24 o 2.18643  0.168615  4.79828      0.737328 4.38288      1.0285   5.23752      1.05759  2.08523  0.246615  2.28053  0.231874  
1 1 1 23 17 25 o 6.57149  0.0870756 43.2339      1.14443  40.7777      1.52898  46.363       1.72578  6.37874  0.119849  6.80068  0.126883  
1 1 1 23 17 26 o 2.68258  0.141844  7.22239      0.761016 8.0979       1.05064  6.25605      1.1038   2.83688  0.185176  2.49015  0.221634  
1 1 1 23 17 27 o 4.98693  0.094669  24.9155      0.944215 24.7844      1.29806  25.0628      1.37598  4.9697   0.130598  4.99656  0.137693  
1 1 1 23 17 28 o 3.61959  0.120201  13.1472      0.870154 13.1648      1.21806  13.1289      1.2435   3.61595  0.168429  3.61047  0.172208  
1 1 1 23 17 29 o 1.6056   0.248127  2.62376      0.796787 2.14384      1.16368  3.04737      1.09327  1.41148  0.396148  1.69158  0.335066  
1 1 1 23 17 30 o 2.90146  0.148145  8.47989      0.859675 7.69903      1.15564  9.44739      1.28636  2.7544   0.209782  3.05094  0.210814  
1 1 1 23 17 31 o 4.48845  0.118916  20.2479      1.0675   18.8668      1.46799  21.7978      1.5551   4.32114  0.169862  4.64538  0.167381  
1 1 1 23 17 32 o 5.82663  0.108759  34.1111      1.26739  33.367       1.80285  34.8381      1.78206  5.74777  0.15683   5.87499  0.151665  
1 1 1 23 17 33 o 2.98943  0.147214  9.03474      0.880171 8.34635      1.23031  9.75642      1.25971  2.85568  0.215415  3.09124  0.203755  
1 1 1 23 17 34 o 3.22681  0.158496  10.5654      1.02287  9.7344       1.3691   11.6153      1.53884  3.07565  0.222571  3.3568   0.229213  
1 1 1 23 17 35 o 1.1838   0.361492  1.54916      0.934421 2.13265      1.25827  0.831705     1.39526  1.36742  0.419874  1.06553  0.428202  
1 1 1 23 17 36 o 1.882    0.262902  3.72793      0.989565 4.84669      1.45121  2.75564      1.35287  2.1086   0.344117  1.52983  0.426418  
1 1 1 23 17 37 o 0.949789 0.360326  0.824206     0.943349 0.410473     1.30886  1.27146      1.36085  0.946604 0.400454  1.13093  0.431685  
1 1 1 23 17 38 o 1.81286  0.268606  3.55407      0.973891 3.79219      1.3172   3.26693      1.44644  1.78205  0.380724  1.60913  0.437854  
1 1 1 23 17 39 o 1.08297  0.365694  1.37752      0.94092  0.435454     1.31418  2.36839      1.34778  0.918898 0.395395  1.35237  0.437529  
1 1 1 23 17 40 o 0.936015 0.373316  0.894769     1.0501   0.018095     1.44252  1.88308      1.53161  0.857735 0.389186  1.18193  0.456177  
1 1 1 23 17 41 o 0.768334 0.334474  0.276104     0.961339 0.444535     1.30452  0.075924     1.42216  0.870146 0.383906  0.83998  0.382552  
1 1 1 23 17 42 o 0.735894 0.335097  0.086224     1.09029  0.27076      1.51149  -0.11395     1.57423  0.833988 0.385287  0.801619 0.3772    
1 1 1 23 17 43 o 0.756675 0.345667  0.421496     1.1775   -0.205481    1.81571  0.876555     1.54687  0.771165 0.374286  0.84719  0.390769  
1 1 1 23 17 44 o 0.591177 0.287579  -0.722524    1.08255  0.403075     1.6419   -1.58812     1.43983  0.771707 0.3702    0.603055 0.300278  
1 1 1 23 18 0  o 1.33782  0.199833  1.90527      0.498898 1.90527      0.498898 1.90527      0.498898 1.36122  0.13246   ?        ?         
1 1 1 23 18 1  o 13.0367  0.090594  169.977      2.3621   168.135      3.30523  171.9        3.37695  12.9651  0.127467  13.1094  0.128799  
1 1 1 23 18 2  o 19.1809  0.129408  367.997      4.96431  367.458      7.00712  368.541      7.03416  19.1643  0.182817  19.1925  0.183253  
1 1 1 23 18 3  f 6.06997  0.060319  36.8466      0.73227  37.5976      1.08839  36.2255      0.989789 6.13132  0.0887566 6.01845  0.0822295 
1 1 1 23 18 4  o 10.5419  0.0849344 111.143      1.79074  109.962      2.57973  112.242      2.48774  10.4851  0.123019  10.5933  0.11742   
1 1 1 23 18 5  o 6.03499  0.060992  36.4231      0.736171 36.1729      1.02901  36.6855      1.05364  6.01405  0.0855503 6.0565   0.0869839 
1 1 1 23 18 6  o 24.7225  0.181188  611.516      8.95883  611.362      12.6655  611.669      12.6739  24.7128  0.256254  24.7189  0.25636   
1 1 1 23 18 7  o 26.3611  0.186213  695.306      9.81756  691.242      13.9815  699.259      13.7887  26.2757  0.266054  26.4283  0.260871  
1 1 1 23 18 8  o 15.6959  0.118437  246.424      3.71795  245.441      5.2423   247.418      5.27379  15.6626  0.167351  15.7255  0.167682  
1 1 1 23 18 9  o 27.2982  0.184055  745.682      10.0487  747.136      14.3931  744.3        14.0357  27.3153  0.263463  27.2642  0.257401  
1 1 1 23 18 10 o 6.55664  0.0724575 42.9941      0.950156 45.1276      1.308    40.6106      1.38254  6.71705  0.0973642 6.37187  0.108488  
1 1 1 23 18 11 f 7.19107  0.0698301 51.7168      1.00431  51.7547      1.44733  51.6817      1.39474  7.1933   0.100603  7.18828  0.0970149 
1 1 1 23 18 12 o 14.3332  0.102575  205.487      2.94046  206.355      4.23195  204.677      4.08863  14.3616  0.147335  14.3033  0.142926  
1 1 1 23 18 13 o 19.5531  0.13934   382.503      5.44906  384.337      7.74276  380.704      7.67002  19.5953  0.197567  19.5025  0.196642  
1 1 1 23 18 14 f 11.0922  0.0901101 123.062      1.99903  123.124      2.85657  123.003      2.79845  11.0937  0.128748  11.0883  0.126189  
1 1 1 23 18 15 o 5.7897   0.0759452 33.5263      0.879399 33.7397      1.25142  33.3181      1.23604  5.80759  0.10774   5.77121  0.107086  
1 1 1 23 18 16 o 19.1124  0.145022  365.538      5.54344  368.105      7.88875  363.033      7.79138  19.1726  0.20573   19.0402  0.204604  
1 1 1 23 18 17 o 7.02508  0.109192  49.3756      1.53416  45.8376      2.30166  52.2042      2.058    6.76633  0.170082  7.22224  0.142476  
1 1 1 23 18 18 o 9.772    0.0888059 95.5285      1.73562  96.9934      2.42502  93.99        2.48517  9.84489  0.123161  9.69097  0.128221  
1 1 1 23 18 19 o 15.8377  0.125987  251.059      3.99071  252.508      5.80367  249.761      5.49629  15.8755  0.182787  15.7903  0.17404   
1 1 1 23 18 20 o 13.0717  0.111866  171.011      2.92456  170.266      4.20871  171.707      4.06683  13.0372  0.161411  13.0931  0.155304  
1 1 1 23 18 21 o 6.7095   0.0835628 45.0425      1.12133  44.1645      1.52865  46.0652      1.64987  6.6421   0.115073  6.7831   0.121617  
1 1 1 23 18 22 o 5.61338  0.10119   31.5433      1.13604  33.1893      1.78208  30.4165      1.47448  5.75398  0.154856  5.51008  0.133798  
1 1 1 23 18 23 o 3.60488  0.107308  13.0125      0.773667 12.4503      1.06325  13.6452      1.12787  3.52381  0.150866  3.68891  0.152873  
1 1 1 23 18 24 o 1.98092  0.185298  3.94282      0.734123 3.80616      1.01843  4.09063      1.05918  1.94164  0.262261  2.01283  0.263108  
1 1 1 23 18 25 f 1.39387  0.259872  2.02598      0.697479 1.34355      0.970777 2.75412      1.00277  1.15752  0.371012  1.61903  0.321097  
1 1 1 23 18 26 o 1.04474  0.312798  1.12469      0.704262 1.35664      0.993959 0.890848     0.998007 1.16289  0.375685  1.02559  0.374077  
1 1 1 23 18 27 o 1.35772  0.281042  1.94206      0.737357 2.57116      1.02645  1.27129      1.05991  1.55522  0.339392  1.14573  0.388129  
1 1 1 23 18 28 o 0.67527  0.296472  -0.170149    0.768638 -0.830973    1.06089  0.560048     1.11518  0.697101 0.322329  0.969786 0.385361  
1 1 1 23 18 29 o 3.26377  0.126595  10.7034      0.826355 9.9779       1.13927  11.5089      1.20041  3.14338  0.181218  3.37656  0.177756  
1 1 1 23 18 30 o 2.5449   0.179115  6.54964      0.911662 6.6145       1.2765   6.48212      1.30247  2.54364  0.250919  2.51631  0.258805  
1 1 1 23 18 31 o 3.66124  0.126908  13.4857      0.929282 13.1632      1.29266  13.8306      1.33686  3.60632  0.179222  3.69622  0.180842  
1 1 1 23 18 32 o 2.51312  0.182244  6.40639      0.916003 6.61899      1.31144  6.20386      1.27998  2.53617  0.258548  2.45477  0.260713  
1 1 1 23 18 33 f 0.91519  0.340789  0.721679     0.834252 0.0325793    1.16043  1.45881      1.20019  0.858883 0.37058   1.19111  0.41255   
1 1 1 23 18 34 o 1.76993  0.266025  3.26601      0.941691 4.88312      1.30291  1.49732      1.3626   2.151    0.302861  1.21408  0.437659  
1 1 1 23 18 35 o 2.61267  0.196546  7.01197      1.02702  8.02768      1.42738  5.92171      1.47884  2.76931  0.257715  2.35304  0.31424   
1 1 1 23 18 36 o 2.49565  0.200694  6.42087      1.00172  5.83257      1.38581  7.06461      1.44964  2.3374   0.296443  2.58083  0.280848  
1 1 1 23 18 37 o 0.733201 0.323692  -0.107395    0.929405 0.161233     1.27382  -0.413184    1.35907  0.892115 0.386632  0.830506 0.377093  
1 1 1 23 18 38 o 1.0448   0.371044  1.21388      0.976127 2.03797      1.34551  0.298261     1.41826  1.28218  0.437306  0.930786 0.405723  
1 1 1 23 18 39 f 1.24337  0.35155   1.874        0.913125 1.90193      1.27419  1.84451      1.30923  1.22526  0.42501   1.21007  0.429717  
1 1 1 23 18 40 o 0.592626 0.284813  -1.03184     0.983025 -0.378519    1.34787  -1.77422     1.43681  0.779329 0.361485  0.669434 0.326748  
1 1 1 23 18 41 o 1.64339  0.352064  3.49966      1.12366  3.01205      1.50097  4.12136      1.69483  1.37804  0.461879  1.594    0.486862  
1 1 1 23 18 42 o 0.65128  0.307859  -0.503233    1.06946  0.819945     1.51854  -1.80538     1.50642  0.898919 0.404028  0.649679 0.32034   
1 1 1 23 18 43 o 0.8932   0.375364  1.31122      1.13749  2.65172      1.7525   0.335385     1.49525  1.05134  0.454535  0.773469 0.365022  
1 1 1 23 18 44 o 0.743006 0.33486   0.687369     1.05021  -0.453057    1.50774  1.76214      1.46369  0.672835 0.329878  0.891973 0.398894  
1 1 1 23 19 0  o 13.6169  0.133648  185.498      3.63895  185.498      3.63895  185.498      3.63895  13.6183  0.0944832 ?        ?         
1 1 1 23 19 1  o 12.5701  0.0879049 158.026      2.20995  158.068      3.12618  157.985      3.1245   12.571   0.124341  12.5677  0.124307  
1 1 1 23 19 2  o 8.54955  0.0671289 73.0998      1.14784  71.4819      1.62109  74.7265      1.62551  8.4541   0.0958759 8.64386  0.0940271 
1 1 1 23 19 3  o 19.5969  0.136285  384.146      5.34152  381.013      7.583    387.232      7.52544  19.5139  0.194298  19.6727  0.191267  
1 1 1 23 19 4  o 11.142   0.0839722 124.158      1.87124  124.152      2.63977  124.164      2.65294  11.1411  0.11847   11.1416  0.119055  
1 1 1 23 19 5  o 15.1339  0.111643  229.083      3.3792   231.258      4.81781  226.976      4.74092  15.204   0.158439  15.0626  0.157374  
1 1 1 23 19 6  o 12.288   0.0971529 151.02       2.38764  149.369      3.29709  152.84       3.46221  12.2197  0.134908  12.3608  0.140049  
1 1 1 23 19 7  o 12.2073  0.104044  149.047      2.54018  150.44       3.6117   147.684      3.57332  12.2629  0.147261  12.1501  0.147049  
1 1 1 23 19 8  o 16.3752  0.12336   268.228      4.04008  269.066      5.72973  267.399      5.69747  16.3983  0.174705  16.3475  0.174262  
1 1 1 23 19 9  o 24.8045  0.171608  615.635      8.51331  613.283      11.8625  618.133      12.225   24.7499  0.239647  24.8468  0.246007  
1 1 1 23 19 10 o 17.6255  0.124564  310.762      4.39101  312.818      6.47231  309.009      5.97689  17.6804  0.183037  17.5733  0.170056  
1 1 1 23 19 11 o 11.9481  0.0887661 142.781      2.12117  143.158      3.04847  142.427      2.95335  11.9627  0.127416  11.9323  0.123755  
1 1 1 23 19 12 o 9.14804  0.0771579 83.6982      1.41169  84.4118      1.98861  82.9733      2.00434  9.18632  0.108237  9.10767  0.110036  
1 1 1 23 19 13 o 13.8107  0.107193  190.79       2.96082  194.454      4.40714  187.777      3.99726  13.9402  0.158073  13.6994  0.145892  
1 1 1 23 19 14 o 10.6607  0.0928525 113.678      1.97975  114.697      2.76963  112.613      2.83095  10.7071  0.129336  10.6093  0.133419  
1 1 1 23 19 15 o 6.3775   0.077738  40.6802      0.991549 40.4433      1.43244  40.8982      1.37391  6.35824  0.112645  6.39401  0.107437  
1 1 1 23 19 16 o 26.5515  0.198579  706.01       10.5451  705.975      14.7287  706.047      15.1045  26.5321  0.277564  26.5315  0.284653  
1 1 1 23 19 17 o 5.28114  0.085706  27.8997      0.905251 28.6289      1.27337  27.1545      1.28717  5.34887  0.119032  5.20919  0.123548  
1 1 1 23 19 18 o 11.3736  0.0989861 129.425      2.25166  130.197      3.21368  128.681      3.15576  11.4045  0.140896  11.338   0.139167  
1 1 1 23 19 19 o 2.79084  0.138917  7.79793      0.775391 7.0701       1.11214  8.48637      1.08163  2.65541  0.209411  2.91007  0.185843  
1 1 1 23 19 20 o 7.96786  0.0882707 63.5223      1.40666  64.0656      1.95598  62.9403      2.02441  7.99977  0.122253  7.92881  0.127662  
1 1 1 23 19 21 o 5.66424  0.0884427 32.1059      1.00192  33.8194      1.4338   30.4708      1.40065  5.81151  0.123358  5.51608  0.12696   
1 1 1 23 19 22 o 4.1018   0.100307  16.843       0.822877 16.1789      1.14928  17.5416      1.17872  4.01788  0.143021  4.1838   0.140867  
1 1 1 23 19 23 o 3.25107  0.118861  10.5882      0.772851 11.3022      1.11465  9.92713      1.07252  3.35606  0.166065  3.145    0.170512  
1 1 1 23 19 24 o 5.31843  0.0878561 28.3176      0.934513 29.3708      1.29814  27.1847      1.34638  5.41375  0.119893  5.20749  0.129274  
1 1 1 23 19 25 o 3.31089  0.112307  10.9858      0.743669 11.5176      1.04954  10.4496      1.05389  3.38671  0.15495   3.22513  0.163387  
1 1 1 23 19 26 o 3.40758  0.112914  11.6413      0.769526 11.5591      1.06385  11.7314      1.11446  3.39157  0.156838  3.41606  0.163121  
1 1 1 23 19 27 o 2.9977   0.128438  9.01991      0.770035 8.57433      1.05962  9.51857      1.12095  2.91731  0.181609  3.07365  0.182349  
1 1 1 23 19 28 o 1.95915  0.201234  3.88114      0.788492 4.07905      1.06448  3.64053      1.1737   2.0004   0.266067  1.88318  0.311627  
1 1 1 23 19 29 o 0.751274 0.310885  0.183555     0.7615   -0.118795    1.03187  0.545145     1.12844  0.796069 0.346537  0.966255 0.386423  
1 1 1 23 19 30 o 0.956877 0.357633  0.755976     0.920445 2.1041       1.37534  -0.337687    1.23876  1.39987  0.440831  0.834435 0.370355  
1 1 1 23 19 31 o 3.68936  0.123874  13.6939      0.914034 15.1191      1.28123  12.2168      1.30436  3.86743  0.165643  3.47114  0.187887  
1 1 1 23 19 32 o 0.713518 0.311464  -0.0998477   0.838314 -0.929832    1.2009   0.689039     1.17079  0.731336 0.339986  0.998094 0.395404  
1 1 1 23 19 33 o 0.808273 0.328056  0.345152     0.830426 1.12047      1.14952  -0.501129    1.20097  1.09129  0.401133  0.785015 0.355706  
1 1 1 23 19 34 o 1.21437  0.35627   1.62934      0.92108  1.20373      1.24489  2.14417      1.36917  1.12285  0.416658  1.37713  0.440532  
1 1 1 23 19 35 o 0.594747 0.285259  -1.2338      0.973798 -1.82128     1.32999  -0.554895    1.42973  0.673967 0.325635  0.844209 0.384235  
1 1 1 23 19 36 o 1.2983   0.355809  1.92055      0.950964 0.796775     1.30878  3.17742      1.38412  1.02729  0.413937  1.63971  0.420159  
1 1 1 23 19 37 o 1.39552  0.341903  2.24589      0.948054 2.21412      1.28034  2.28444      1.41061  1.35513  0.425055  1.37007  0.447759  
1 1 1 23 19 38 o 1.56715  0.30918   2.80938      0.93456  3.07911      1.31153  2.53114      1.33204  1.56957  0.412413  1.41019  0.431804  
1 1 1 23 19 39 o 0.71517  0.321073  -0.134039    0.956476 0.926361     1.32484  -1.28844     1.38231  0.998955 0.411366  0.709758 0.340287  
1 1 1 23 19 40 o 0.709219 0.322612  -0.177465    1.00479  -1.00822     1.41396  0.67001      1.42812  0.727288 0.347597  0.937677 0.407921  
1 1 1 23 19 41 o 0.659847 0.312319  -0.632801    1.10392  -0.50127     1.5939   -0.754063    1.53041  0.78849  0.374188  0.752894 0.360264  
1 1 1 23 19 42 o 0.908175 0.372102  1.09224      1.07858  1.39751      1.5279   0.789017     1.52279  0.975096 0.423029  0.888577 0.401693  
1 1 1 23 19 43 o 0.853746 0.368722  1.16648      1.15095  0.245005     1.69404  1.95652      1.56857  0.771663 0.371595  0.95581  0.42143   
1 1 1 23 19 44 o 0.705611 0.327439  0.606649     1.10753  1.94583      1.61022  -0.595743    1.52577  0.84598  0.393438  0.636442 0.315817  
1 1 1 23 20 0  o 7.93382  0.0898251 62.9738      1.4249   62.9738      1.4249   62.9738      1.4249   7.93471  0.0634997 ?        ?         
1 1 1 23 20 1  o 13.8564  0.0968445 192.03       2.68384  191.163      3.81552  192.879      3.77584  13.824   0.138003  13.886   0.135958  
1 1 1 23 20 2  o 14.3675  0.100432  206.458      2.8859   207.059      4.04805  205.837      4.11535  14.3872  0.140682  14.3446  0.143446  
1 1 1 23 20 3  o 13.489   0.0973424 181.981      2.6261   179.306      3.70561  184.68       3.72217  13.3884  0.138389  13.5875  0.13697   
1 1 1 23 20 4  o 11.315   0.0854255 128.045      1.93318  125.231      2.68056  131.095      2.79063  11.1893  0.119782  11.4482  0.12188   
1 1 1 23 20 5  o 9.94122  0.0799964 98.8391      1.59052  99.0233      2.18937  98.6333      2.31453  9.94996  0.110019  9.93022  0.11654   
1 1 1 23 20 6  o 16.1968  0.13084   262.42       4.23836  261.16       6.051    263.634      5.93849  16.1551  0.187278  16.2317  0.182929  
1 1 1 23 20 7  o 9.60511  0.0826712 92.2708      1.58813  94.4546      2.23328  90.0367      2.25886  9.71749  0.11491   9.48742  0.119045  
1 1 1 23 20 8  o 27.7824  0.208489  772.551      11.5846  770.42       16.7961  774.486      15.9992  27.7302  0.302849  27.8058  0.287695  
1 1 1 23 20 9  o 24.4067  0.167535  596.038      8.17791  593.088      11.7833  598.78       11.359   24.3382  0.242074  24.456   0.232233  
1 1 1 23 20 10 o 19.6004  0.133303  384.325      5.2256   384.885      7.40287  383.77       7.37743  19.6108  0.188745  19.5824  0.188369  
1 1 1 23 20 11 o 5.1017   0.0707886 26.0303      0.722284 25.4576      1.01316  26.6222      1.02997  5.04496  0.100413  5.15908  0.0998214 
1 1 1 23 20 12 o 14.0088  0.105547  196.302      2.95718  194.775      4.1126   197.937      4.25521  13.9524  0.14738   14.0649  0.15127   
1 1 1 23 20 13 o 13.0713  0.0994291 170.904      2.59933  170.222      3.67207  171.589      3.67995  13.0433  0.140764  13.0956  0.140503  
1 1 1 23 20 14 o 20.8545  0.150508  435.206      6.27751  435.16       8.99196  435.25       8.76776  20.8458  0.215678  20.8487  0.210271  
1 1 1 23 20 15 o 7.56291  0.0803631 57.2103      1.21556  55.6008      1.69855  58.8999      1.74032  7.45492  0.113922  7.67292  0.113407  
1 1 1 23 20 16 o 6.44191  0.080902  41.5096      1.04233  42.0441      1.4899   40.9973      1.45874  6.48232  0.11492   6.40115  0.113944  
1 1 1 23 20 17 f 5.1618   0.0838395 26.6534      0.865525 27.9855      1.23878  25.3828      1.20981  5.28835  0.117123  5.03635  0.120108  
1 1 1 23 20 18 o 10.9335  0.0978429 119.606      2.13953  121.215      3.0836   118.113      2.97104  11.0037  0.140117  10.8622  0.13676   
1 1 1 23 20 19 o 3.6382   0.109008  13.2468      0.793185 13.51        1.15663  13.0132      1.08981  3.67257  0.157469  3.60465  0.151168  
1 1 1 23 20 20 o 5.92746  0.0914617 35.1578      1.08427  33.8589      1.44941  36.8083      1.63389  5.81527  0.124621  6.06263  0.134751  
1 1 1 23 20 21 o 4.37016  0.0961082 19.116       0.840017 18.763       1.1846   19.473       1.19136  4.32761  0.136865  4.40882  0.135111  
1 1 1 23 20 22 o 0.807033 0.30911   0.446116     0.699716 0.971251     0.98344  -0.0922711   0.995771 1.04989  0.372473  0.796318 0.343431  
1 1 1 23 20 23 o 1.0509   0.3132    1.13277      0.707169 0.455022     1.00846  1.78847      0.991917 0.91893  0.366048  1.30657  0.365434  
1 1 1 23 20 24 o 0.839147 0.312483  0.548841     0.70143  0.674407     0.974418 0.4138       1.01051  0.962048 0.36585   0.908544 0.364703  
1 1 1 23 20 25 o 2.47962  0.149461  6.17363      0.741214 6.5759       1.04364  5.76419      1.05289  2.55459  0.204268  2.39026  0.220246  
1 1 1 23 20 26 f 5.579    0.08884   31.1763      0.991277 31.4067      1.37967  30.9304      1.42519  5.5954   0.123286  5.55209  0.128347  
1 1 1 23 20 27 o 1.34569  0.274256  1.90828      0.71254  0.922761     0.982869 3.00001      1.03448  1.02731  0.37157   1.68556  0.318481  
1 1 1 23 20 28 o 4.46423  0.104095  19.9914      0.929409 19.541       1.28636  20.4834      1.34432  4.40714  0.14594   4.51159  0.148985  
1 1 1 23 20 29 o 0.628877 0.282946  -0.3379      0.746675 -0.974086    1.04025  0.338208     1.0724   0.666025 0.311946  0.901711 0.370508  
1 1 1 23 20 30 o 1.70589  0.267793  2.9847       0.913649 3.37535      1.31738  2.62266      1.26821  1.75932  0.384974  1.54579  0.405259  
1 1 1 23 20 31 o 3.15319  0.137744  10.0181      0.868664 9.95518      1.20519  10.0861      1.25317  3.13191  0.192405  3.15086  0.198862  
1 1 1 23 20 32 o 0.927957 0.340002  0.767775     0.825279 0.925836     1.17397  0.613348     1.16039  1.05238  0.401169  0.977052 0.391391  
1 1 1 23 20 33 o 2.41995  0.183135  5.96952      0.886357 6.39688      1.26859  5.5619       1.23894  2.48274  0.255481  2.31079  0.268076  
1 1 1 23 20 34 f 0.699347 0.311716  -0.251286    0.887248 -1.09405     1.16715  0.902461     1.36561  0.691112 0.325081  1.07539  0.426719  
1 1 1 23 20 35 o 1.31111  0.356971  1.94861      0.961055 1.92267      1.34001  1.97608      1.37911  1.30209  0.436411  1.31767  0.442732  
1 1 1 23 20 36 o 1.29485  0.350655  1.92043      0.930427 1.5833       1.30772  2.26604      1.32408  1.20042  0.429149  1.38072  0.43209   
1 1 1 23 20 37 o 2.32559  0.207248  5.65329      0.963946 6.5353       1.35299  4.74407      1.3737   2.46052  0.27494   2.06108  0.333246  
1 1 1 23 20 38 o 0.774462 0.330479  0.221342     0.904728 0.474159     1.25925  -0.0483948   1.30071  0.91814  0.39078   0.843056 0.37655   
1 1 1 23 20 39 o 0.809663 0.34336   0.371803     0.966098 0.642951     1.38966  0.118173     1.34402  0.950092 0.407632  0.858692 0.383172  
1 1 1 23 20 40 o 1.29311  0.367761  2.18688      0.996445 0.655079     1.40008  3.75916      1.41847  0.927178 0.403634  1.64391  0.427489  
1 1 1 23 20 41 o 1.05128  0.399939  1.61646      1.16483  0.208201     1.64372  3.03712      1.65094  0.857708 0.398359  1.30333  0.480565  
1 1 1 23 20 42 o 1.42588  0.389795  3.09388      1.14307  4.57546      1.71521  1.91013      1.53316  1.54888  0.492828  1.04015  0.43639   
1 1 1 23 20 43 o 0.492519 0.248142  -2.2712      1.11617  -3.05974     1.66274  -1.62443     1.50588  0.575948 0.291243  0.617038 0.307219  
1 1 1 23 21 0  o 23.3694  0.221483  546.508      10.3498  546.508      10.3498  546.508      10.3498  23.3734  0.15657   ?        ?         
1 1 1 23 21 1  o 9.03029  0.0688666 81.5529      1.24377  81.9669      1.76366  81.1433      1.75429  9.0528   0.0974099 9.0072   0.0973827 
1 1 1 23 21 2  o 1.57704  0.118899  2.48767      0.375017 2.73685      0.532354 2.24219      0.528378 1.65396  0.160933  1.49698  0.176481  
1 1 1 23 21 3  o 13.1964  0.0932073 174.172      2.46     174.475      3.52409  173.883      3.43552  13.2067  0.13342   13.1844  0.130287  
1 1 1 23 21 4  o 15.7167  0.114299  247.075      3.59282  244.941      4.97286  249.405      5.19653  15.6469  0.158909  15.7885  0.164567  
1 1 1 23 21 5  o 19.4884  0.14445   379.951      5.6302   376.993      7.90468  382.997      8.0212   19.4084  0.203641  19.5622  0.205018  
1 1 1 23 21 6  o 7.25903  0.075454  52.6996      1.09545  51.3689      1.52315  54.1253      1.57662  7.16639  0.10627   7.35613  0.107164  
1 1 1 23 21 7  o 14.5765  0.11367   212.53       3.31381  214.072      4.65972  210.952      4.7136   14.6273  0.159281  14.5202  0.162312  
1 1 1 23 21 8  o 21.3     0.157583  453.93       6.71302  451.83       9.45282  456.066      9.53499  21.2451  0.222471  21.3443  0.223361  
1 1 1 23 21 9  o 13.8468  0.104022  191.78       2.88074  190.045      4.08993  193.488      4.05823  13.7824  0.148376  13.9068  0.145908  
1 1 1 23 21 10 o 20.1897  0.137011  407.799      5.5324   405.133      7.77996  410.527      7.86878  20.1192  0.193347  20.2526  0.194266  
1 1 1 23 21 11 o 25.437   0.178382  647.549      9.075    653.349      12.9485  641.949      12.7224  25.5402  0.253493  25.3168  0.251265  
1 1 1 23 21 12 o 13.3646  0.10237   178.664      2.73628  178.061      3.9155   179.239      3.82544  13.3401  0.146757  13.3843  0.142908  
1 1 1 23 21 13 o 14.32    0.112981  205.14       3.23578  205.425      4.58314  204.856      4.56907  14.3272  0.159945  14.3074  0.159675  
1 1 1 23 21 14 o 8.46885  0.0810243 71.7368      1.37236  72.478       1.95204  71.0123      1.92978  8.51157  0.11467   8.42507  0.114526  
1 1 1 23 21 15 o 8.11299  0.0822928 65.838       1.33528  65.2428      1.86095  66.4697      1.91705  8.0752   0.115226  8.15068  0.117601  
1 1 1 23 21 16 o 4.49445  0.0914929 20.2079      0.822421 19.943       1.15718  20.4783      1.16907  4.46401  0.129612  4.52353  0.129221  
1 1 1 23 21 17 o 9.84209  0.0857344 96.9048      1.68761  96.9647      2.38711  96.845       2.38617  9.84322  0.121257  9.83714  0.121284  
1 1 1 23 21 18 o 14.9664  0.119972  224.19       3.59109  221.592      5.09794  226.748      5.05943  14.8725  0.171388  15.0451  0.168143  
1 1 1 23 21 19 o 4.62011  0.0930583 21.3587      0.85988  22.1542      1.23139  20.6017      1.20128  4.7039   0.13089   4.53602  0.132415  
1 1 1 23 21 20 f 6.34886  0.0943878 40.3394      1.19851  41.2608      1.64868  39.3069      1.74534  6.41881  0.128426  6.26418  0.139311  
1 1 1 23 21 21 o 3.72856  0.102677  13.9178      0.765674 13.1892      1.05584  14.726       1.11199  3.62761  0.145528  3.83316  0.145049  
1 1 1 23 21 22 o 6.63367  0.0856774 44.045       1.13671  44.479       1.63313  43.6372      1.58314  6.66313  0.122549  6.60003  0.119935  
1 1 1 23 21 23 o 3.19344  0.118616  10.2186      0.757587 11.1894      1.09122  9.31525      1.0526   3.33865  0.163422  3.04556  0.17281   
1 1 1 23 21 24 o 3.05992  0.120812  9.38576      0.73935  9.01169      1.04248  9.76434      1.04874  2.99437  0.174074  3.11743  0.168206  
1 1 1 23 21 25 o 2.05997  0.177972  4.26963      0.733234 4.07205      1.02255  4.47876      1.05198  2.00531  0.25496   2.10357  0.250045  
1 1 1 23 21 26 o 0.79546  0.306494  0.432363     0.690784 -0.866173    0.981931 1.7047       0.971977 0.659036 0.306782  1.27123  0.363754  
1 1 1 23 21 27 o 3.21739  0.128422  10.396       0.826364 10.1438      1.17463  10.6432      1.16277  3.17088  0.185222  3.24895  0.178946  
1 1 1 23 21 28 o 1.8485   0.204794  3.46001      0.757126 3.59953      1.06822  3.31916      1.07327  1.8746   0.28492   1.79804  0.298456  
1 1 1 23 21 29 o 3.83677  0.12431   14.8004      0.953894 15.7978      1.32953  13.7423      1.36937  3.95499  0.168082  3.6847   0.185819  
1 1 1 23 21 30 o 2.97548  0.152965  8.9304       0.910288 8.83969      1.28731  9.02112      1.28738  2.947    0.218409  2.97763  0.216175  
1 1 1 23 21 31 o 0.90937  0.335429  0.710859     0.804397 0.393701     1.12682  1.04044      1.14867  0.925363 0.379937  1.08234  0.40051   
1 1 1 23 21 32 o 0.754152 0.326654  -0.0361878   0.90828  0.405518     1.26405  -0.507684    1.30598  0.962255 0.399509  0.823922 0.372257  
1 1 1 23 21 33 o 2.50309  0.17921   6.38452      0.897159 5.98523      1.32278  6.72467      1.22089  2.39294  0.276392  2.55029  0.239363  
1 1 1 23 21 34 o 0.701203 0.318141  -0.418963    0.963771 -0.622588    1.29288  -0.164298    1.44587  0.794592 0.362664  0.907037 0.401659  
1 1 1 23 21 35 o 1.22257  0.35546   1.68381      0.920915 2.48614      1.3003   0.876356     1.30445  1.45675  0.422003  1.04682  0.416526  
1 1 1 23 21 36 o 1.13026  0.367699  1.42921      0.951267 0.796123     1.33847  2.07538      1.35222  1.02619  0.416493  1.32735  0.438395  
1 1 1 23 21 37 o 2.2546   0.219751  5.36034      0.990901 4.97996      1.36828  5.77983      1.43692  2.10922  0.324357  2.27905  0.315247  
1 1 1 23 21 38 o 1.0429   0.356841  1.25351      0.895916 0.671718     1.28719  1.80022      1.24777  0.956198 0.400451  1.20626  0.420373  
1 1 1 23 21 39 o 0.818489 0.341325  0.476996     0.929023 0.751709     1.31953  0.206971     1.30822  0.948558 0.401722  0.856699 0.380372  
1 1 1 23 21 40 o 1.0309   0.371358  1.35024      0.980876 1.15396      1.36872  1.55748      1.40638  1.00439  0.416281  1.08501  0.432252  
1 1 1 23 21 41 o 1.05117  0.402843  1.67906      1.18896  0.180243     1.78041  2.88546      1.59733  0.860672 0.404005  1.262    0.471233  
1 1 1 23 21 42 o 0.744452 0.335884  0.413673     1.05957  1.02808      1.53963  -0.139149    1.46042  0.873524 0.397885  0.739926 0.353548  
1 1 1 23 21 43 o 0.741354 0.340064  0.445203     1.15278  0.00425884   1.78519  0.760583     1.50976  0.76195  0.370225  0.807806 0.377722  
1 1 1 23 22 0  o 13.4949  0.133243  182.196      3.59541  182.196      3.59541  182.196      3.59541  13.4965  0.0941957 ?        ?         
1 1 1 23 22 1  o 3.69525  0.0651309 13.656       0.48135  13.4869      0.677331 13.8285      0.684186 3.67215  0.0922253 3.71837  0.0920008 
1 1 1 23 22 2  o 20.5523  0.138383  422.556      5.6882   421.409      8.02682  423.714      8.06196  20.5205  0.19558   20.5766  0.195901  
1 1 1 23 22 3  o 16.1541  0.110801  261.019      3.57978  264.126      5.11569  258.038      5.01108  16.2479  0.157426  16.0597  0.156015  
1 1 1 23 22 4  o 34.3046  0.250062  1178.3       17.1566  1176.46      24.222   1180.16      24.3044  34.256   0.353544  34.3096  0.354193  
1 1 1 23 22 5  o 18.4662  0.13922   341.138      5.14174  335.746      7.25832  346.568      7.28479  18.3159  0.198142  18.609   0.195733  
1 1 1 23 22 6  o 12.3052  0.104573  151.453      2.57359  152.074      3.71757  150.881      3.56635  12.3289  0.150767  12.2806  0.145202  
1 1 1 23 22 7  o 16.0921  0.125488  259.044      4.03873  257.191      5.67438  260.946      5.74962  16.0318  0.176973  16.1483  0.178025  
1 1 1 23 22 8  o 32.1525  0.2412    1035.1       15.5104  1035.69      21.9467  1034.51      21.9233  32.1409  0.341414  32.1226  0.341244  
1 1 1 23 22 9  o 13.0904  0.107351  171.404      2.81052  172.056      3.93669  170.726      4.01378  13.1136  0.1501    13.0626  0.153636  
1 1 1 23 22 10 o 2.36284  0.105878  5.58455      0.500347 5.15564      0.712239 6.00246      0.703047 2.26991  0.156887  2.44936  0.143516  
1 1 1 23 22 11 o 17.0214  0.129038  289.858      4.39282  291.637      6.24829  288.119      6.17709  17.0697  0.183023  16.9665  0.182038  
1 1 1 23 22 12 o 11.1231  0.0897381 123.753      1.99634  123.514      2.77548  124.009      2.87358  11.1112  0.124896  11.1333  0.129054  
1 1 1 23 22 13 o 18.1629  0.129565  330.067      4.70656  332.811      6.64407  327.303      6.66816  18.2335  0.182194  18.0818  0.184389  
1 1 1 23 22 14 f 8.28996  0.0784744 68.739       1.3011   69.5931      1.8545   67.9111      1.8259   8.34034  0.111177  8.23894  0.110809  
1 1 1 23 22 15 o 7.58454  0.0810704 57.542       1.22976  58.4866      1.78546  56.6894      1.69626  7.64532  0.116768  7.5271   0.112677  
1 1 1 23 22 16 o 8.45781  0.0868822 71.5618      1.46967  73.3424      2.06821  69.7456      2.08878  8.56086  0.120795  8.34808  0.125106  
1 1 1 23 22 17 o 6.75119  0.0762424 45.5939      1.02945  46.8879      1.47222  44.3558      1.44005  6.84519  0.107537  6.65776  0.108148  
1 1 1 23 22 18 o 5.77852  0.0857836 33.4076      0.991404 33.016       1.4052   33.7958      1.39894  5.74306  0.122339  5.81058  0.120379  
1 1 1 23 22 19 o 6.1439   0.0867126 37.7698      1.06551  36.1134      1.45846  39.666       1.56041  6.00592  0.121419  6.29425  0.123955  
1 1 1 23 22 20 f 1.34351  0.275646  1.88484      0.715195 1.17512      1.01536  2.58369      1.00756  1.11818  0.379884  1.56952  0.331274  
1 1 1 23 22 21 o 5.41563  0.0846068 29.3527      0.916398 28.4887      1.26691  30.3008      1.32716  5.33323  0.118775  5.5001   0.120648  
1 1 1 23 22 22 o 10.5477  0.0944701 111.386      1.99288  106.72       2.74312  116.601      2.90015  10.3184  0.132923  10.7852  0.13445   
1 1 1 23 22 23 o 5.48931  0.0857496 30.1659      0.941413 30.2488      1.31741  30.0795      1.34576  5.49387  0.119898  5.47817  0.12283   
1 1 1 23 22 24 o 0.872236 0.307017  0.682059     0.666978 0.576604     0.943978 0.787189     0.942524 0.925093 0.357905  0.982601 0.362957  
1 1 1 23 22 25 o 3.36114  0.114078  11.3272      0.766864 9.81475      1.05132  13.0468      1.12106  3.12392  0.16827   3.60323  0.155562  
1 1 1 23 22 26 o 5.15964  0.0900052 26.6719      0.92879  27.1786      1.32671  26.185       1.30069  5.20353  0.127482  5.10755  0.12733   
1 1 1 23 22 27 o 3.52451  0.122674  12.4742      0.86473  12.6475      1.23084  12.3053      1.21513  3.54161  0.173769  3.49334  0.173922  
1 1 1 23 22 28 o 3.16723  0.128265  10.0832      0.812489 9.33375      1.15434  10.8191      1.1438   3.03778  0.189997  3.27344  0.174709  
1 1 1 23 22 29 o 1.29185  0.334535  1.80034      0.870982 1.90082      1.23734  1.70165      1.22624  1.33449  0.417712  1.27759  0.417474  
1 1 1 23 22 30 o 2.13002  0.201552  4.60961      0.858619 4.39701      1.21903  4.81892      1.20957  2.06172  0.295633  2.16214  0.279716  
1 1 1 23 22 31 o 3.2225   0.144515  10.4869      0.9314   9.90086      1.37322  10.9862      1.26752  3.11109  0.220696  3.2859   0.192873  
1 1 1 23 22 32 o 1.03613  0.352207  1.09062      0.872795 1.84689      1.20258  0.248906     1.26871  1.29721  0.412652  0.931086 0.394095  
1 1 1 23 22 33 o 1.65339  0.264234  2.85058      0.873765 2.55512      1.26619  3.11919      1.2073   1.49598  0.410824  1.6681   0.37153   
1 1 1 23 22 34 o 1.14005  0.366401  1.42592      0.94633  0.627494     1.31028  2.29652      1.36822  1.00075  0.410096  1.40598  0.439081  
1 1 1 23 22 35 o 2.41108  0.202617  5.99726      0.97705  4.99838      1.35327  7.08492      1.41213  2.15522  0.31395   2.58846  0.272773  
1 1 1 23 22 36 o 1.84849  0.265247  3.63777      0.980614 4.34595      1.36966  2.89302      1.40459  1.94678  0.365248  1.54207  0.436012  
1 1 1 23 22 37 o 0.885808 0.351537  0.661169     0.92691  1.581        1.34395  -0.173316    1.28008  1.16858  0.433059  0.823209 0.370422  
1 1 1 23 22 38 o 0.925453 0.348043  0.885419     0.87441  2.41667      1.24562  -0.602284    1.22778  1.36906  0.417231  0.739851 0.343877  
1 1 1 23 22 39 o 1.06638  0.363478  1.42914      0.929552 2.39461      1.31312  0.45935      1.31605  1.30639  0.43201   0.889271 0.389197  
1 1 1 23 22 40 o 1.34171  0.373279  2.43338      1.03766  1.81275      1.49772  3.0063       1.43899  1.11537  0.445527  1.39723  0.452096  
1 1 1 23 22 41 o 0.662965 0.314239  -0.526159    1.12107  -0.758304    1.56938  -0.284263    1.602    0.740262 0.356765  0.787737 0.374449  
1 1 1 23 22 42 o 0.820364 0.350327  0.919785     1.018    1.33759      1.4796   0.544224     1.40281  0.89566  0.400786  0.792238 0.367975  
1 1 1 23 22 43 o 0.582951 0.28714   -1.02642     1.1745   -1.1095      1.77537  -0.96177     1.56621  0.676229 0.336257  0.657085 0.324624  
1 1 1 23 23 0  o 6.57674  0.121113  43.304       1.59184  43.304       1.59184  43.304       1.59184  6.57866  0.085582  ?        ?         
1 1 1 23 23 1  o 32.8375  0.309656  1079.65      20.3326  1079.65      20.3326  1079.65      20.3326  32.8477  0.218869  ?        ?         
1 1 1 23 23 2  o 18.5118  0.181617  342.903      6.72268  342.903      6.72268  342.903      6.72268  18.5147  0.128389  ?        ?         
1 1 1 23 23 3  o 13.6128  0.152699  185.422      4.15613  185.422      4.15613  185.422      4.15613  13.6149  0.107942  ?        ?         
1 1 1 23 23 4  o 14.7351  0.159769  217.259      4.70718  217.259      4.70718  217.259      4.70718  14.7374  0.112941  ?        ?         
1 1 1 23 23 5  o 10.491   0.130175  110.132      2.73039  110.132      2.73039  110.132      2.73039  10.4927  0.0920167 ?        ?         
1 1 1 23 23 6  f 16.9971  0.185914  289.114      6.3183   289.114      6.3183   289.114      6.3183   17.0002  0.131419  ?        ?         
1 1 1 23 23 7  o 32.2486  0.341783  1041.67      22.0385  1041.67      22.0385  1041.67      22.0385  32.2617  0.241548  ?        ?         
1 1 1 23 23 8  o 20.356   0.220519  414.749      8.97539  414.749      8.97539  414.749      8.97539  20.3607  0.155874  ?        ?         
1 1 1 23 23 9  o 16.7841  0.19562   281.956      6.56462  281.956      6.56462  281.956      6.56462  16.7878  0.138273  ?        ?         
1 1 1 23 23 10 o 3.1416   0.124834  9.91836      0.781544 9.91836      0.781544 9.91836      0.781544 3.14549  0.0880014 ?        ?         
1 1 1 23 23 11 o 8.27406  0.103529  68.5028      1.71261  68.5028      1.71261  68.5028      1.71261  8.27535  0.073182  ?        ?         
1 1 1 23 23 12 o 5.77466  0.110406  33.3896      1.27407  33.3896      1.27407  33.3896      1.27407  5.77652  0.0780116 ?        ?         
1 1 1 23 23 13 o 3.25403  0.139069  10.6502      0.901307 10.6502      0.901307 10.6502      0.901307 3.25878  0.0979856 ?        ?         
1 1 1 23 23 14 o 14.3263  0.152623  205.412      4.3719   205.412      4.3719   205.412      4.3719   14.3292  0.107884  ?        ?         
1 1 1 23 23 15 o 4.7807   0.128373  22.9135      1.22542  22.9135      1.22542  22.9135      1.22542  4.78376  0.0906409 ?        ?         
1 1 1 23 23 16 o 5.07581  0.113122  25.8113      1.14708  25.8113      1.14708  25.8113      1.14708  5.07815  0.0799073 ?        ?         
1 1 1 23 23 17 o 1.65219  0.30176   2.99335      0.89762  2.99335      0.89762  2.99335      0.89762  1.69716  0.192642  ?        ?         
1 1 1 23 23 18 o 9.63783  0.135338  93.0048      2.60758  93.0048      2.60758  93.0048      2.60758  9.64085  0.0956475 ?        ?         
1 1 1 23 23 19 o 5.05375  0.134404  25.615       1.35631  25.615       1.35631  25.615       1.35631  5.05744  0.0948919 ?        ?         
1 1 1 23 23 20 o 3.76641  0.14267   14.2621      1.07121  14.2621      1.07121  14.2621      1.07121  3.7715   0.100581  ?        ?         
1 1 1 23 23 21 o 1.11895  0.444459  1.74443      0.95594  1.74443      0.95594  1.74443      0.95594  1.20683  0.32472   ?        ?         
1 1 1 23 23 22 o 2.23675  0.228471  5.17553      0.997624 5.17553      0.997624 5.17553      0.997624 2.25656  0.158087  ?        ?         
1 1 1 23 23 23 o 6.41573  0.11735   41.2488      1.50464  41.2488      1.50464  41.2488      1.50464  6.41911  0.0829038 ?        ?         
1 1 1 23 23 24 o 3.97483  0.139046  15.886       1.1023   15.886       1.1023   15.886       1.1023   3.9803   0.0980471 ?        ?         
1 1 1 23 23 25 o 0.769942 0.429651  0.839802     0.972723 0.839802     0.972723 0.839802     0.972723 0.748137 0.376597  ?        ?         
1 1 1 23 23 26 o 3.46794  0.163312  12.1461      1.12699  12.1461      1.12699  12.1461      1.12699  3.4766   0.114894  ?        ?         
1 1 1 23 23 27 o 5.34721  0.134079  28.7212      1.43186  28.7212      1.43186  28.7212      1.43186  5.35325  0.0946332 ?        ?         
1 1 1 23 23 28 o 6.49583  0.131596  42.369       1.70807  42.369       1.70807  42.369       1.70807  6.50244  0.0929146 ?        ?         
1 1 1 23 23 29 o 1.24454  0.508931  2.23572      1.24202  2.23572      1.24202  2.23572      1.24202  1.35087  0.376166  ?        ?         
1 1 1 23 23 30 o 0.525656 0.359379  -0.52011     1.12572  -0.52011     1.12572  -0.52011     1.12572  0.420976 0.292094  ?        ?         
1 1 1 23 23 31 o 3.00883  0.229582  9.32666      1.36305  9.32666      1.36305  9.32666      1.36305  3.03185  0.159966  ?        ?         
1 1 1 23 23 32 o 1.09319  0.49388   1.83066      1.15273  1.83066      1.15273  1.83066      1.15273  1.18045  0.389929  ?        ?         
1 1 1 23 23 33 o 2.99817  0.229951  9.2943       1.36022  9.2943       1.36022  9.2943       1.36022  3.02378  0.160067  ?        ?         
1 1 1 23 23 34 o 0.698369 0.443172  0.376663     1.30732  0.376663     1.30732  0.376663     1.30732  0.619032 0.38408   ?        ?         
1 1 1 23 23 35 o 4.00658  0.197207  16.4265      1.57152  16.4265      1.57152  16.4265      1.57152  4.02999  0.138239  ?        ?         
1 1 1 23 23 36 o 2.05589  0.375303  4.8687       1.38931  4.8687       1.38931  4.8687       1.38931  2.14071  0.235998  ?        ?         
1 1 1 23 23 37 o 0.745289 0.456623  0.749824     1.27486  0.749824     1.27486  0.749824     1.27486  0.700822 0.404957  ?        ?         
1 1 1 23 23 38 o 0.492616 0.349055  -1.09187     1.31434  -1.09187     1.31434  -1.09187     1.31434  0.390215 0.280199  ?        ?         
1 1 1 23 23 39 f 0.697334 0.442864  0.608041     1.30778  0.608041     1.30778  0.608041     1.30778  0.647042 0.392802  ?        ?         
1 1 1 23 23 40 o 0.442146 0.32124   -1.93907     1.41922  -1.93907     1.41922  -1.93907     1.41922  0.34326  0.252639  ?        ?         
1 1 1 23 23 41 o 0.627739 0.428052  0.11326      1.57848  0.11326      1.57848  0.11326      1.57848  0.558096 0.373603  ?        ?         
1 1 1 23 23 42 o 0.899552 0.509878  2.03864      1.39728  2.03864      1.39728  2.03864      1.39728  1.04229  0.457238  ?        ?         
1 1 1 23 23 43 o 0.995535 0.567982  3.1828       1.7469   3.1828       1.7469   3.1828       1.7469   1.27036  0.505382  ?        ?         
1 1 1 24 0  0  o 8.38026  0.13904   70.3054      2.32894  70.3054      2.32894  70.3054      2.32894  8.38254  0.0982587 ?        ?         
1 1 1 24 0  1  o 8.72368  0.0988524 76.1422      1.72422  76.1422      1.72422  76.1422      1.72422  8.72482  0.06988   ?        ?         
1 1 1 24 0  2  o 14.5397  0.151828  211.539      4.41396  211.539      4.41396  211.539      4.41396  14.542   0.107328  ?        ?         
1 1 1 24 0  3  o 15.0502  0.157593  226.66       4.74244  226.66       4.74244  226.66       4.74244  15.0527  0.111403  ?        ?         
1 1 1 24 0  4  o 3.08211  0.0797743 9.51934      0.491002 9.51934      0.491002 9.51934      0.491002 3.08373  0.0563364 ?        ?         
1 1 1 24 0  5  o 5.73285  0.0858071 32.891       0.983342 32.891       0.983342 32.891       0.983342 5.73396  0.0606477 ?        ?         
1 1 1 24 0  6  o 26.6167  0.26144   709.291      13.9143  709.291      13.9143  709.291      13.9143  26.6246  0.184791  ?        ?         
1 1 1 24 0  7  o 2.1795   0.108961  4.78645      0.472253 4.78645      0.472253 4.78645      0.472253 2.18368  0.0766754 ?        ?         
1 1 1 24 0  8  o 9.89268  0.1173    97.923       2.32008  97.923       2.32008  97.923       2.32008  9.89414  0.0829181 ?        ?         
1 1 1 24 0  9  o 10.2542  0.112744  105.202      2.31156  105.202      2.31156  105.202      2.31156  10.2555  0.079701  ?        ?         
1 1 1 24 0  10 o 14.8192  0.144699  219.725      4.28773  219.725      4.28773  219.725      4.28773  14.8212  0.102293  ?        ?         
1 1 1 24 0  11 o 6.43758  0.100407  41.4768      1.29204  41.4768      1.29204  41.4768      1.29204  6.43891  0.0709641 ?        ?         
1 1 1 24 0  12 o 10.2283  0.122109  104.676      2.49712  104.676      2.49712  104.676      2.49712  10.2297  0.0863181 ?        ?         
1 1 1 24 0  13 o 4.85902  0.117307  23.6537      1.1385   23.6537      1.1385   23.6537      1.1385   4.86127  0.0828556 ?        ?         
1 1 1 24 0  14 o 5.00132  0.10832   25.0505      1.08234  25.0505      1.08234  25.0505      1.08234  5.00318  0.0765248 ?        ?         
1 1 1 24 0  15 o 3.03935  0.129045  9.28865      0.781212 9.28865      0.781212 9.28865      0.781212 3.04356  0.0909326 ?        ?         
1 1 1 24 0  16 o 3.28034  0.138331  10.8196      0.903877 10.8196      0.903877 10.8196      0.903877 3.28486  0.0974798 ?        ?         
1 1 1 24 0  17 o 7.41614  0.101999  55.0357      1.51223  55.0357      1.51223  55.0357      1.51223  7.41737  0.0720966 ?        ?         
1 1 1 24 0  18 o 14.4104  0.148032  207.772      4.26537  207.772      4.26537  207.772      4.26537  14.4123  0.104647  ?        ?         
1 1 1 24 0  19 o 10.618   0.124709  112.807      2.64748  112.807      2.64748  112.807      2.64748  10.6195  0.0881558 ?        ?         
1 1 1 24 0  20 o 5.97624  0.14383   35.7869      1.71687  35.7869      1.71687  35.7869      1.71687  5.97923  0.101585  ?        ?         
1 1 1 24 0  21 o 4.80962  0.137479  23.1956      1.32     23.1956      1.32     23.1956      1.32     4.81291  0.0970554 ?        ?         
1 1 1 24 0  22 o 23.9148  0.274789  572.928      13.1391  572.928      13.1391  572.928      13.1391  23.9253  0.194191  ?        ?         
1 1 1 24 0  23 o 3.52241  0.186062  12.5209      1.30242  12.5209      1.30242  12.5209      1.30242  3.53052  0.130835  ?        ?         
1 1 1 24 0  24 o 0.797403 0.462525  0.807836     1.18328  0.807836     1.18328  0.807836     1.18328  0.749197 0.405198  ?        ?         
1 1 1 24 0  25 o 6.51265  0.130241  42.4905      1.69489  42.4905      1.69489  42.4905      1.69489  6.51556  0.0920112 ?        ?         
1 1 1 24 0  26 o 9.85619  0.13817   97.2858      2.72245  97.2858      2.72245  97.2858      2.72245  9.85977  0.0976434 ?        ?         
1 1 1 24 0  27 o 6.61378  0.138433  43.8463      1.82931  43.8463      1.82931  43.8463      1.82931  6.61772  0.0977797 ?        ?         
1 1 1 24 0  28 o 6.84544  0.139053  46.9803      1.90198  46.9803      1.90198  46.9803      1.90198  6.84983  0.098216  ?        ?         
1 1 1 24 0  29 o 11.2419  0.146543  126.666      3.2936   126.666      3.2936   126.666      3.2936   11.2482  0.103544  ?        ?         
1 1 1 24 0  30 o 5.71335  0.138393  32.7614      1.57927  32.7614      1.57927  32.7614      1.57927  5.71857  0.0977037 ?        ?         
1 1 1 24 0  31 o 1.39881  0.475065  2.57205      1.18812  2.57205      1.18812  2.57205      1.18812  1.50793  0.316441  ?        ?         
1 1 1 24 0  32 o 0.815816 0.478231  0.859865     1.28658  0.859865     1.28658  0.859865     1.28658  0.767152 0.420317  ?        ?         
1 1 1 24 0  33 o 0.579348 0.391617  -0.44926     1.28225  -0.44926     1.28225  -0.44926     1.28225  0.469798 0.321549  ?        ?         
1 1 1 24 0  34 o 1.61082  0.49225   3.31101      1.38243  3.31101      1.38243  3.31101      1.38243  1.72901  0.313544  ?        ?         
1 1 1 24 0  35 o 0.869971 0.49143   1.10134      1.2929   1.10134      1.2929   1.10134      1.2929   0.847418 0.432482  ?        ?         
1 1 1 24 0  36 o 4.02635  0.193476  16.4784      1.5498   16.4784      1.5498   16.4784      1.5498   4.04295  0.135877  ?        ?         
1 1 1 24 0  37 o 1.4591   0.53987   3.01257      1.45594  3.01257      1.45594  3.01257      1.45594  1.59901  0.370502  ?        ?         
1 1 1 24 0  38 o 0.541253 0.382746  -1.40446     1.55904  -1.40446     1.55904  -1.40446     1.55904  0.422544 0.30381   ?        ?         
1 1 1 24 0  39 o 0.717561 0.463955  0.269374     1.51135  0.269374     1.51135  0.269374     1.51135  0.62739  0.399344  ?        ?         
1 1 1 24 0  40 o 0.546169 0.384186  -1.17265     1.5239   -1.17265     1.5239   -1.17265     1.5239   0.432102 0.308338  ?        ?         
1 1 1 24 0  41 o 0.607489 0.413229  -0.349363    1.45885  -0.349363    1.45885  -0.349363    1.45885  0.506143 0.345472  ?        ?         
1 1 1 24 0  42 f 0.840656 0.505496  1.17623      1.49891  1.17623      1.49891  1.17623      1.49891  0.826149 0.453381  ?        ?         
1 1 1 24 0  43 o 0.535802 0.377091  -0.902687    1.47192  -0.902687    1.47192  -0.902687    1.47192  0.434353 0.308414  ?        ?         
1 1 1 24 0  44 o 0.649728 0.439705  0.171174     1.62304  0.171174     1.62304  0.171174     1.62304  0.578857 0.385309  ?        ?         
1 1 1 24 0  45 o 0.708816 0.473402  0.822228     1.7677   0.822228     1.7677   0.822228     1.7677   0.679136 0.432093  ?        ?         
1 1 1 24 0  46 o 0.6462   0.446186  0.462119     1.82149  0.462119     1.82149  0.462119     1.82149  0.603289 0.403218  ?        ?         
1 1 1 24 1  0  o 6.40513  0.0843061 41.0511      1.07956  41.0511      1.07956  41.0511      1.07956  6.40612  0.0595926 ?        ?         
1 1 1 24 1  1  f 13.3272  0.100054  177.664      2.66688  178.956      3.74885  176.34       3.79464  13.3738  0.140157  13.2755  0.142919  
1 1 1 24 1  2  o 9.92018  0.0768375 98.4263      1.52449  98.841       2.13857  97.9979      2.17376  9.94027  0.107571  9.89772  0.109811  
1 1 1 24 1  3  o 20.2929  0.139736  412.027      5.6713   409.429      7.88717  414.808      8.16068  20.2236  0.194999  20.3554  0.200455  
1 1 1 24 1  4  o 21.5344  0.143607  463.991      6.18498  464.701      8.75861  463.284      8.73522  21.5447  0.203266  21.5119  0.203032  
1 1 1 24 1  5  o 8.11042  0.0640629 65.7862      1.03915  66.9799      1.50309  64.6932      1.43823  8.1832   0.0918397 8.04235  0.089416  
1 1 1 24 1  6  o 13.0465  0.0937123 170.25       2.44524  171.884      3.4887   168.673      3.42827  13.1074  0.133081  12.9845  0.132014  
1 1 1 24 1  7  o 3.19982  0.0589891 10.2398      0.37751  10.4832      0.536978 10.0019      0.530834 3.23749  0.0829311 3.16229  0.0839317 
1 1 1 24 1  8  o 1.25763  0.136397  1.58236      0.343075 1.45329      0.486123 1.71043      0.484245 1.18666  0.212519  1.30728  0.185211  
1 1 1 24 1  9  o 6.64973  0.061722  44.2229      0.82087  44.9628      1.1875   43.5458      1.13599  6.7048   0.0885556 6.59834  0.0860812 
1 1 1 24 1  10 o 12.9446  0.0958651 167.597      2.48187  168.715      3.57414  166.555      3.449    12.9863  0.137612  12.9031  0.13365   
1 1 1 24 1  11 o 13.304   0.0954205 177.026      2.53894  178.509      3.61842  175.587      3.56342  13.3584  0.135436  13.2487  0.134482  
1 1 1 24 1  12 o 17.6295  0.127339  310.881      4.48986  310.613      6.26762  311.162      6.43492  17.6196  0.177859  17.6349  0.182448  
1 1 1 24 1  13 o 23.2739  0.162029  541.88       7.5421   541.448      10.5379  542.333      10.7992  23.2602  0.226522  23.2787  0.231954  
1 1 1 24 1  14 o 8.9595   0.0791995 80.28        1.41918  79.7724      2.0769   80.7247      1.94375  8.93062  0.11628   8.9839   0.108179  
1 1 1 24 1  15 o 5.60942  0.0700025 31.4679      0.785347 31.9384      1.1164   31.007       1.10498  5.65098  0.0987796 5.56797  0.0992265 
1 1 1 24 1  16 o 12.72    0.0974585 161.825      2.47935  161.365      3.49639  162.29       3.51635  12.7009  0.137643  12.7372  0.138034  
1 1 1 24 1  17 o 15.5323  0.109867  241.309      3.41298  242.487      4.84928  240.153      4.80439  15.5682  0.155743  15.4932  0.155049  
1 1 1 24 1  18 o 6.28752  0.0746585 39.5376      0.938833 40.0119      1.32444  39.0585      1.331    6.32476  0.104703  6.24893  0.106498  
1 1 1 24 1  19 o 11.6316  0.0966133 135.323      2.24753  134.136      3.11278  136.615      3.24855  11.5793  0.134411  11.6857  0.138997  
1 1 1 24 1  20 o 4.11944  0.11715   16.9759      0.965185 16.8363      1.3634   17.1162      1.36656  4.1017   0.1662    4.13568  0.165216  
1 1 1 24 1  21 o 18.9509  0.134339  359.335      5.09168  360.2        7.1305   358.435      7.27306  18.9687  0.187955  18.9217  0.192188  
1 1 1 24 1  22 f 3.29961  0.158063  10.8978      1.04309  9.46185      1.43434  12.5097      1.51967  3.0728   0.233393  3.53377  0.215021  
1 1 1 24 1  23 o 10.6231  0.101312  112.906      2.15248  112.412      2.9797   113.444      3.11279  10.5974  0.140587  10.6455  0.146203  
1 1 1 24 1  24 o 2.65618  0.16236   7.06623      0.862515 7.17305      1.21075  6.95618      1.22901  2.67422  0.226375  2.63323  0.233366  
1 1 1 24 1  25 f 9.28463  0.0904536 86.2553      1.67966  87.9331      2.40787  84.665       2.3442   9.37162  0.128466  9.19591  0.127459  
1 1 1 24 1  26 o 12.1153  0.105181  146.936      2.5486   143.93       3.49013  150.37       3.7304   11.985   0.145603  12.2491  0.152273  
1 1 1 24 1  27 o 5.29827  0.105878  28.1076      1.12194  28.0654      1.55309  28.1536      1.62252  5.29115  0.146763  5.29888  0.1531    
1 1 1 24 1  28 o 3.45762  0.140483  11.9882      0.971476 10.7811      1.39735  13.1175      1.35155  3.27297  0.213468  3.61293  0.187043  
1 1 1 24 1  29 o 1.48854  0.306725  2.33123      0.881919 3.39809      1.22773  1.19383      1.26767  1.79495  0.354616  1.16949  0.422084  
1 1 1 24 1  30 o 3.53438  0.131173  12.5349      0.927233 12.922       1.31504  12.1522      1.3076   3.5827   0.183527  3.47374  0.188212  
1 1 1 24 1  31 o 4.03069  0.120791  16.3019      0.973745 17.248       1.37562  15.3518      1.37855  4.13975  0.166148  3.90396  0.176558  
1 1 1 24 1  32 o 4.46133  0.125105  19.9926      1.11627  19.6212      1.58185  20.361       1.57545  4.40949  0.179368  4.49276  0.175332  
1 1 1 24 1  33 o 0.874122 0.348958  0.442252     0.918327 -0.89222     1.26452  1.93148      1.33583  0.767198 0.353659  1.35367  0.435349  
1 1 1 24 1  34 o 2.69038  0.184959  7.32846      0.99522  7.46205      1.43743  7.20546      1.37928  2.69667  0.266519  2.65151  0.260093  
1 1 1 24 1  35 o 1.57573  0.307341  2.66035      0.934014 2.63313      1.32095  2.68756      1.32084  1.53946  0.418223  1.5551   0.416301  
1 1 1 24 1  36 o 1.62889  0.305396  2.86188      0.958173 3.33916      1.33849  2.3602       1.37227  1.72678  0.395822  1.44856  0.437226  
1 1 1 24 1  37 o 2.6645   0.195249  7.26459      1.04048  7.21716      1.47048  7.31214      1.47245  2.62399  0.2802    2.64186  0.278677  
1 1 1 24 1  38 o 3.34736  0.178663  11.4687      1.19609  11.8223      1.74374  11.1546      1.64375  3.35612  0.259785  3.26466  0.251749  
1 1 1 24 1  39 o 1.89213  0.288857  3.82189      1.09311  4.28329      1.55724  3.3737       1.53479  1.90982  0.419112  1.6737   0.449071  
1 1 1 24 1  40 o 1.86247  0.309611  3.8057       1.15328  3.81134      1.53313  3.79835      1.75033  1.75965  0.437058  1.7184   0.487002  
1 1 1 24 1  41 f 0.761529 0.338059  -0.067514    1.03277  -0.620409    1.45145  0.499491     1.46985  0.810616 0.375659  0.968143 0.417389  
1 1 1 24 1  42 o 1.03715  0.385403  1.25886      1.06588  1.40432      1.49517  1.10856      1.51989  1.10054  0.442855  1.04872  0.436907  
1 1 1 24 1  43 f 1.18256  0.38652   1.87226      1.05114  2.67205      1.50207  1.1047       1.47149  1.33265  0.46153   1.00843  0.425507  
1 1 1 24 1  44 o 1.07587  0.401645  1.74554      1.16027  2.96491      1.63996  0.523441     1.64179  1.27744  0.477385  0.885785 0.406113  
1 1 1 24 1  45 o 0.642571 0.311226  -0.763754    1.24362  -3.87858     1.75247  2.39607      1.76508  0.577325 0.293414  1.05088  0.455275  
1 1 1 24 1  46 o 0.607005 0.299606  -1.22664     1.32634  -2.44955     1.79805  0.233082     1.96444  0.624052 0.314521  0.786483 0.383551  
1 1 1 24 2  0  o 6.98536  0.0794539 48.8184      1.1097   48.8184      1.1097   48.8184      1.1097   6.98619  0.0561675 ?        ?         
1 1 1 24 2  1  o 3.29889  0.0490272 10.8834      0.323471 11.2213      0.467568 10.5732      0.447974 3.3496   0.0697947 3.25143  0.0688888 
1 1 1 24 2  2  o 3.59604  0.0478995 12.9323      0.344497 12.8606      0.489581 13.0026      0.484839 3.58594  0.0682639 3.60569  0.0672324 
1 1 1 24 2  3  o 17.6444  0.119569  311.446      4.21945  309.637      5.87285  313.377      6.06626  17.5898  0.166939  17.6954  0.171408  
1 1 1 24 2  4  o 10.2694  0.0754158 105.476      1.54895  105.22       2.14127  105.757      2.24338  10.2562  0.104389  10.2822  0.10909   
1 1 1 24 2  5  o 6.98054  0.0578379 48.7322      0.807479 49.6931      1.13397  47.7438      1.15009  7.04873  0.0804381 6.90906  0.0832309 
1 1 1 24 2  6  o 16.8186  0.118424  282.965      3.98344  284.862      5.66818  281.113      5.59932  16.8718  0.167978  16.7604  0.16704   
1 1 1 24 2  7  o 11.9169  0.0869735 142.038      2.0729   140.543      2.90509  143.589      2.95871  11.8529  0.122548  11.9806  0.123479  
1 1 1 24 2  8  o 11.0099  0.0820838 121.238      1.80748  120.828      2.55562  121.649      2.5567   10.9904  0.116266  11.0277  0.115922  
1 1 1 24 2  9  o 6.02946  0.0586781 36.3573      0.707594 37.6215      1.03551  35.2498      0.969165 6.13312  0.0844191 5.93669  0.0816251 
1 1 1 24 2  10 o 15.3614  0.107885  236.03       3.31454  238.247      4.83366  234.062      4.55379  15.4313  0.156618  15.2956  0.14886   
1 1 1 24 2  11 o 5.59773  0.0619958 31.3367      0.694071 31.6114      1.01407  31.0945      0.951994 5.62199  0.090188  5.57588  0.0853671 
1 1 1 24 2  12 o 27.0802  0.184895  733.731      10.014   727.87       14.05    739.781      14.2766  26.9646  0.260528  27.1841  0.262591  
1 1 1 24 2  13 o 10.9654  0.0875979 120.254      1.9211   123.03       2.76799  117.675      2.66843  11.0906  0.12479   10.8466  0.123008  
1 1 1 24 2  14 o 33.8396  0.23042   1146.02      15.5946  1144         22.514   1147.88      21.6214  33.7946  0.333101  33.8542  0.319331  
1 1 1 24 2  15 o 19.0418  0.136042  362.693      5.18098  358.495      7.255    367.062      7.40122  18.9286  0.191641  19.1533  0.19321   
1 1 1 24 2  16 o 2.87857  0.105248  8.28778      0.605929 8.78591      0.809295 7.65234      0.914063 2.96361  0.136539  2.76562  0.165255  
1 1 1 24 2  17 o 17.3654  0.126294  301.654      4.38627  300.767      6.3241   302.476      6.08883  17.3368  0.18239   17.3864  0.175103  
1 1 1 24 2  18 f 2.57357  0.130129  6.62564      0.669793 6.71068      0.939505 6.53775      0.955148 2.58958  0.181401  2.55594  0.186849  
1 1 1 24 2  19 o 12.7719  0.104897  163.164      2.67946  162.498      3.72544  163.878      3.85662  12.7442  0.146162  12.798   0.150672  
1 1 1 24 2  20 o 11.5185  0.103218  132.713      2.37783  134.145      3.38429  131.317      3.34162  11.5787  0.146142  11.4561  0.145845  
1 1 1 24 2  21 o 9.08399  0.0898513 82.5397      1.63242  80.5667      2.26551  84.6703      2.35422  8.97365  0.126231  9.19928  0.127957  
1 1 1 24 2  22 o 8.14516  0.0980515 66.3693      1.59729  67.8886      2.22497  64.7536      2.29445  8.2364   0.135069  8.04364  0.142625  
1 1 1 24 2  23 o 8.58138  0.0890364 73.6694      1.52811  71.9577      2.14511  75.433       2.1774   8.47938  0.12649   8.68179  0.1254    
1 1 1 24 2  24 o 10.5294  0.0932439 110.927      1.9636   110.165      2.75209  111.716      2.8025   10.4905  0.131171  10.5639  0.132645  
1 1 1 24 2  25 o 4.48907  0.111875  20.1707      1.00443  20.4556      1.40183  19.87        1.4399   4.51867  0.155116  4.45317  0.161671  
1 1 1 24 2  26 o 11.3971  0.103767  130.035      2.36529  128.951      3.35005  131.113      3.34003  11.3433  0.147666  11.4383  0.146002  
1 1 1 24 2  27 o 2.40398  0.187664  5.80308      0.90228  4.66652      1.2701   6.96106      1.28201  2.14914  0.295491  2.62915  0.243808  
1 1 1 24 2  28 o 4.36686  0.115593  19.106       1.00956  19.0752      1.43206  19.1365      1.42344  4.35904  0.164264  4.36617  0.163007  
1 1 1 24 2  29 o 2.79997  0.159111  7.87413      0.891013 7.19855      1.22293  8.63853      1.30084  2.67086  0.228939  2.92659  0.222245  
1 1 1 24 2  30 o 2.80666  0.157284  7.91702      0.882886 8.69004      1.23668  7.11349      1.26085  2.93472  0.210699  2.65198  0.237718  
1 1 1 24 2  31 o 0.78322  0.32582   0.164881     0.843341 -0.612618    1.17623  0.987418     1.20981  0.775844 0.351761  1.09855  0.410126  
1 1 1 24 2  32 o 1.45365  0.322739  2.25865      0.9136   2.4691       1.28845  2.04584      1.29563  1.50928  0.414394  1.38789  0.426042  
1 1 1 24 2  33 o 2.11945  0.234736  4.57701      0.995023 4.79735      1.43096  4.37073      1.38454  2.14942  0.332871  2.05054  0.337604  
1 1 1 24 2  34 o 1.77475  0.270465  3.23578      0.960015 3.09668      1.38936  3.36288      1.32805  1.67431  0.416182  1.75326  0.388998  
1 1 1 24 2  35 o 3.45552  0.148835  12.0578      1.0286   13.4245      1.44698  10.6617      1.46248  3.63205  0.199196  3.22862  0.226487  
1 1 1 24 2  36 o 1.76297  0.273561  3.23436      0.964563 3.14845      1.30806  3.33674      1.42801  1.67381  0.396364  1.71469  0.419317  
1 1 1 24 2  37 o 0.597502 0.287677  -1.3964      1.01421  -1.79476     1.3741   -0.919672    1.50319  0.697156 0.33546   0.83064  0.383926  
1 1 1 24 2  38 o 3.51035  0.172975  12.5976      1.21441  11.5976      1.67112  13.7168      1.76782  3.32843  0.251037  3.62433  0.243882  
1 1 1 24 2  39 o 2.14229  0.261976  4.85296      1.12246  7.46767      1.60286  2.33678      1.57237  2.63276  0.304407  1.40114  0.472736  
1 1 1 24 2  40 o 0.952114 0.376971  0.77439      1.0636   -0.165563    1.46581  1.81957      1.54568  0.885172 0.397431  1.25261  0.464381  
1 1 1 24 2  41 o 1.06532  0.380416  1.28965      1.02732  2.41463      1.49299  0.277991     1.41579  1.36107  0.460649  0.920911 0.403355  
1 1 1 24 2  42 o 1.53147  0.352628  2.88738      1.05845  1.06548      1.51325  4.63251      1.48103  1.03575  0.434     1.89994  0.402096  
1 1 1 24 2  43 o 0.892791 0.367605  0.770394     1.05783  0.184433     1.45931  1.41923      1.53561  0.865577 0.392161  1.06549  0.441227  
1 1 1 24 2  44 o 1.25017  0.406016  2.41215      1.15986  1.8852       1.61746  2.96992      1.6641   1.06816  0.448188  1.26388  0.478842  
1 1 1 24 2  45 o 0.676468 0.323204  -0.316392    1.21995  -0.951274    1.7366   0.302186     1.71416  0.712533 0.350842  0.803487 0.383706  
1 1 1 24 2  46 o 0.85664  0.380381  1.26789      1.30869  2.07048      1.83526  0.437588     1.86668  0.931161 0.427945  0.78647  0.381022  
1 1 1 24 3  0  o 0.730756 0.270427  0.716148     0.365281 0.716148     0.365281 0.716148     0.365281 0.786213 0.189623  ?        ?         
1 1 1 24 3  1  o 6.08476  0.0498861 37.0268      0.60709  36.2883      0.84931  37.7984      0.868108 6.02357  0.0704989 6.14762  0.0706051 
1 1 1 24 3  2  o 8.2099   0.0602133 67.409       0.988691 69.7925      1.43937  65.2797      1.36041  8.35335  0.086155  8.07882  0.0841963 
1 1 1 24 3  3  o 9.1476   0.0678871 83.6888      1.24201  83.7392      1.70764  83.6321      1.80973  9.14985  0.0933151 9.14387  0.0989588 
1 1 1 24 3  4  o 1.55336  0.0893548 2.41342      0.2776   2.35187      0.382655 2.4818       0.403332 1.53327  0.124784  1.57503  0.128039  
1 1 1 24 3  5  o 10.2804  0.0729602 105.701      1.50012  105.929      2.12382  105.475      2.11918  10.2908  0.10319   10.2687  0.103187  
1 1 1 24 3  6  o 8.09976  0.0665214 65.6134      1.07762  67.1068      1.50008  64.0209      1.54906  8.19101  0.0915684 8.00036  0.096812  
1 1 1 24 3  7  o 14.0967  0.101988  198.766      2.87539  199.053      4.02796  198.468      4.106    14.1051  0.142784  14.0842  0.145766  
1 1 1 24 3  8  o 13.2091  0.0956341 174.518      2.52648  174.609      3.57879  174.428      3.56721  13.2111  0.135447  13.2043  0.135078  
1 1 1 24 3  9  o 5.56443  0.0579012 30.9652      0.644374 30.9867      0.929751 30.9453      0.893872 5.56613  0.0835187 5.56245  0.0803489 
1 1 1 24 3  10 o 3.63139  0.0650902 13.1881      0.472736 12.8921      0.671519 13.4789      0.665618 3.59025  0.0935198 3.67106  0.0906574 
1 1 1 24 3  11 o 12.9559  0.0923219 167.88       2.39223  172.648      3.5061   163.727      3.27225  13.1376  0.133438  12.7938  0.127884  
1 1 1 24 3  12 o 13.2926  0.0950854 176.718      2.52787  177.59       3.5574   175.827      3.59275  13.3245  0.133491  13.2581  0.135492  
1 1 1 24 3  13 o 5.53678  0.0704218 30.6581      0.77982  28.9769      1.12195  32.2295      1.08466  5.38258  0.104221  5.67671  0.0955355 
1 1 1 24 3  14 o 12.0088  0.0886846 144.228      2.12999  148.32       3.12735  140.688      2.90902  12.1771  0.128411  11.8599  0.122641  
1 1 1 24 3  15 o 11.9634  0.0957139 143.145      2.29014  141.724      3.24322  144.558      3.23428  11.903   0.136235  12.0215  0.134521  
1 1 1 24 3  16 o 19.5046  0.133311  380.553      5.20037  377.642      7.29625  383.558      7.41404  19.4267  0.187789  19.5782  0.189345  
1 1 1 24 3  17 o 14.8721  0.108572  221.234      3.2294   223.146      4.58798  219.358      4.54644  14.9344  0.153604  14.8071  0.153522  
1 1 1 24 3  18 o 3.63054  0.0983609 13.1836      0.714206 12.7656      0.988263 13.6405      1.03332  3.57215  0.138329  3.69251  0.139921  
1 1 1 24 3  19 o 17.8174  0.137028  317.606      4.88299  317.595      6.89118  317.617      6.92009  17.813   0.193431  17.8136  0.194236  
1 1 1 24 3  20 o 19.7614  0.14973   390.757      5.91776  389.516      8.34128  392.014      8.39695  19.7237  0.211453  19.7868  0.212186  
1 1 1 24 3  21 o 10.9515  0.0991764 119.973      2.17225  121.007      3.12081  119.001      3.02547  10.9967  0.141898  10.9053  0.138715  
1 1 1 24 3  22 o 8.12538  0.0942834 66.0469      1.53218  66.5736      2.1301   65.4821      2.20552  8.15626  0.13058   8.08885  0.136331  
1 1 1 24 3  23 o 4.1892   0.112337  17.561       0.941203 17.9528      1.35129  17.1918      1.31171  4.23427  0.159566  4.1436   0.158282  
1 1 1 24 3  24 o 7.80905  0.0877625 61.0108      1.37068  61.1545      1.93371  60.8658      1.94321  7.81633  0.123697  7.79781  0.1246    
1 1 1 24 3  25 o 8.5515   0.0912816 73.1757      1.56119  72.5537      2.17599  73.8355      2.24116  8.51236  0.127814  8.58698  0.130498  
1 1 1 24 3  26 o 6.74201  0.0916795 45.4945      1.23621  45.9073      1.69816  45.0291      1.80308  6.77     0.125418  6.70411  0.134476  
1 1 1 24 3  27 o 5.31193  0.103874  28.2538      1.10355  28.0761      1.58868  28.4195      1.53406  5.29138  0.150119  5.32423  0.144064  
1 1 1 24 3  28 o 4.7195   0.108579  22.3122      1.02488  23.0375      1.4708   21.6277      1.4289   4.79139  0.153484  4.64243  0.153896  
1 1 1 24 3  29 o 1.36677  0.317749  1.97578      0.852875 1.9159       1.14828  2.04947      1.27375  1.35287  0.398075  1.40081  0.420922  
1 1 1 24 3  30 o 2.25661  0.191739  5.13107      0.865361 4.68541      1.20129  5.61177      1.24764  2.14736  0.279713  2.35196  0.265234  
1 1 1 24 3  31 o 1.4438   0.310118  2.21353      0.869733 2.92025      1.22948  1.50565      1.23049  1.64849  0.380375  1.236    0.418197  
1 1 1 24 3  32 o 6.61345  0.103501  43.8768      1.369    44.5355      1.92955  43.2093      1.94263  6.65287  0.145017  6.55215  0.148244  
1 1 1 24 3  33 o 1.54842  0.319796  2.56844      0.956596 0.942555     1.35624  4.17809      1.34945  1.11053  0.429132  1.97348  0.354806  
1 1 1 24 3  34 o 2.48421  0.19798   6.26402      0.983649 7.14155      1.4493   5.51456      1.33938  2.63433  0.275079  2.31131  0.289744  
1 1 1 24 3  35 o 0.941503 0.355479  0.729674     0.914498 1.69759      1.28326  -0.26913     1.30357  1.2709   0.427069  0.861369 0.381416  
1 1 1 24 3  36 o 1.2351   0.362113  1.67622      0.951842 2.53595      1.31153  0.719428     1.38357  1.49488  0.420887  1.0506   0.424663  
1 1 1 24 3  37 o 2.06603  0.249376  4.43548      1.03044  5.05836      1.39232  3.68113      1.53223  2.17951  0.31941   1.78304  0.433305  
1 1 1 24 3  38 o 4.47483  0.143119  20.3318      1.28087  20.0337      1.79238  20.6428      1.83108  4.40821  0.2033    4.47384  0.204643  
1 1 1 24 3  39 o 2.07936  0.265166  4.58766      1.10275  6.68824      1.58598  2.62164      1.53434  2.47879  0.319911  1.46764  0.466032  
1 1 1 24 3  40 o 1.11874  0.383887  1.42487      1.03714  1.57093      1.41369  1.25463      1.52623  1.18361  0.44305   1.12901  0.450132  
1 1 1 24 3  41 o 1.22812  0.380415  1.84071      1.02984  1.32018      1.52113  2.28121      1.39931  1.11703  0.447845  1.32942  0.445963  
1 1 1 24 3  42 o 1.15421  0.387547  1.70232      1.05674  3.24644      1.54048  0.32988      1.45232  1.50644  0.46499   0.905482 0.40156   
1 1 1 24 3  43 o 0.896746 0.367674  0.805694     1.05379  -0.332734    1.49413  1.93249      1.48648  0.806984 0.376724  1.15719  0.448829  
1 1 1 24 3  44 f 0.62288  0.301148  -0.983042    1.14463  -2.01995     1.59703  0.112257     1.64138  0.657724 0.32563   0.833611 0.39069   
1 1 1 24 3  45 o 1.04088  0.412395  2.06426      1.27368  1.4775       1.7905   2.66534      1.8122   0.913742 0.421067  1.05859  0.460001  
1 1 1 24 3  46 o 1.13075  0.428606  2.80275      1.33379  1.8604       1.8626   3.79454      1.91084  0.894709 0.418761  1.11743  0.478665  
1 1 1 24 4  0  o 1.94037  0.101017  3.79607      0.389594 3.79607      0.389594 3.79607      0.389594 1.9444   0.0710557 ?        ?         
1 1 1 24 4  1  o 8.55534  0.0666727 73.2024      1.14082  73.3969      1.66153  73.0289      1.56914  8.56613  0.0969827 8.54474  0.0918192 
1 1 1 24 4  2  o 9.86113  0.0717688 97.2551      1.41544  97.8693      1.99373  96.631       2.00985  9.89157  0.100779  9.82875  0.102243  
1 1 1 24 4  3  o 7.13896  0.0563166 50.9689      0.804083 50.4976      1.13062  51.4513      1.14378  7.10558  0.0795588 7.17236  0.0797354 
1 1 1 24 4  4  o 2.99608  0.0532184 8.97714      0.318893 9.10359      0.45326  8.8532       0.44874  3.017    0.0751178 2.97522  0.075413  
1 1 1 24 4  5  o 2.20513  0.069645  4.86316      0.307152 4.62808      0.429461 5.10933      0.439469 2.15103  0.099827  2.26011  0.0972227 
1 1 1 24 4  6  o 12.1766  0.0892971 148.3        2.17468  144.702      2.97132  152.449      3.19138  12.027   0.123527  12.3445  0.129263  
1 1 1 24 4  7  o 6.04358  0.0559868 36.5276      0.676722 36.8008      0.956146 36.2535      0.957917 6.06591  0.078813  6.02062  0.0795529 
1 1 1 24 4  8  o 18.1011  0.130583  327.779      4.72739  328.45       6.70443  327.116      6.66681  18.1159  0.185043  18.0791  0.184379  
1 1 1 24 4  9  o 9.99998  0.0778985 100.012      1.55797  101.804      2.21963  98.2721      2.18732  10.0885  0.110008  9.91197  0.110337  
1 1 1 24 4  10 o 10.9262  0.0802061 119.395      1.75269  121.472      2.54523  117.522      2.4171   11.0201  0.115481  10.8395  0.111495  
1 1 1 24 4  11 o 8.96768  0.0699005 80.4255      1.25369  80.4616      1.77853  80.3899      1.76749  8.96933  0.0991452 8.96533  0.0985736 
1 1 1 24 4  12 o 4.03638  0.0695487 16.2935      0.561449 15.09        0.783351 17.5648      0.805114 3.88429  0.100836  4.19074  0.0960586 
1 1 1 24 4  13 o 4.05906  0.0711959 16.4772      0.577976 16.3589      0.854087 16.5771      0.785036 4.04427  0.105592  4.07121  0.096413  
1 1 1 24 4  14 o 2.32755  0.106309  5.4184       0.49488  5.30925      0.731014 5.51074      0.672388 2.30374  0.158658  2.34713  0.143236  
1 1 1 24 4  15 o 10.6872  0.08682   114.231      1.85573  111.432      2.60957  117.094      2.63947  10.5548  0.12362   10.8196  0.121976  
1 1 1 24 4  16 o 15.1537  0.109431  229.689      3.31659  226.079      4.61358  233.549      4.77112  15.0325  0.153453  15.2787  0.156136  
1 1 1 24 4  17 o 15.3324  0.116925  235.15       3.58548  238.569      5.11952  231.859      5.02313  15.4412  0.165774  15.2226  0.164989  
1 1 1 24 4  18 o 12.6738  0.0975651 160.658      2.47304  160.422      3.47096  160.902      3.52446  12.6631  0.13705   12.682   0.138955  
1 1 1 24 4  19 o 13.7058  0.117322  187.915      3.21598  188.904      4.5491   186.926      4.54707  13.7395  0.165549  13.6673  0.166348  
1 1 1 24 4  20 o 8.08475  0.0963839 65.3807      1.55848  66.405       2.16284  64.2744      2.24765  8.14684  0.132741  8.01484  0.140218  
1 1 1 24 4  21 o 18.4681  0.148198  341.329      5.47387  343.969      7.67974  338.603      7.80421  18.5326  0.207195  18.3868  0.212223  
1 1 1 24 4  22 o 3.97661  0.117334  15.8232      0.93318  14.191       1.26859  17.7478      1.37757  3.76468  0.168485  4.21027  0.163597  
1 1 1 24 4  23 o 7.2253   0.0894587 52.2277      1.29273  49.8611      1.82701  54.6005      1.82939  7.05804  0.129428  7.38615  0.123839  
1 1 1 24 4  24 f 8.91155  0.0884305 79.4563      1.57611  80.4348      2.24066  78.498       2.21742  8.96391  0.124982  8.85532  0.125203  
1 1 1 24 4  25 o 4.02555  0.116155  16.2231      0.935173 15.5496      1.30668  16.9302      1.33898  3.93881  0.165872  4.11012  0.162889  
1 1 1 24 4  26 o 10.4752  0.0966486 109.839      2.02483  113.083      2.89335  106.726      2.83464  10.6236  0.136175  10.3205  0.137331  
1 1 1 24 4  27 o 6.32887  0.0962696 40.1017      1.21855  40.2029      1.73218  40.0026      1.71455  6.33304  0.136757  6.31736  0.135701  
1 1 1 24 4  28 o 4.34312  0.11499   18.9002      0.998829 19.6007      1.43088  18.2346      1.39492  4.41845  0.161921  4.26151  0.163665  
1 1 1 24 4  29 o 1.43076  0.299752  2.15706      0.83018  2.36158      1.1432   1.92887      1.20755  1.48874  0.382064  1.36023  0.410062  
1 1 1 24 4  30 o 1.02398  0.340932  1.02272      0.81781  1.08705      1.15916  0.958965     1.15397  1.11497  0.403495  1.08075  0.401131  
1 1 1 24 4  31 f 3.07749  0.149934  9.52566      0.922843 9.87884      1.28784  9.15289      1.32307  3.12614  0.205978  3.00682  0.220012  
1 1 1 24 4  32 o 1.35716  0.345267  1.98063      0.939685 1.54003      1.35176  2.39266      1.30719  1.25688  0.437585  1.48556  0.420813  
1 1 1 24 4  33 o 1.65927  0.304755  2.92728      0.973548 2.07131      1.39015  3.75115      1.36384  1.39219  0.443748  1.85863  0.380015  
1 1 1 24 4  34 o 0.892165 0.352959  0.509745     0.931751 0.871855     1.36977  0.197907     1.27114  1.09476  0.429563  0.933977 0.394854  
1 1 1 24 4  35 f 2.13963  0.220681  4.68864      0.944354 6.12184      1.3154   3.16429      1.35659  2.43084  0.270565  1.68031  0.407325  
1 1 1 24 4  36 o 1.80871  0.27081   3.40838      0.979631 3.32889      1.33173  3.50211      1.44614  1.71926  0.395317  1.75425  0.417621  
1 1 1 24 4  37 o 0.810222 0.345601  0.121655     0.988725 -0.147599    1.33541  0.44833      1.47093  0.878472 0.387892  1.01391  0.426507  
1 1 1 24 4  38 o 2.98434  0.192288  9.15466      1.14771  9.69623      1.60343  8.58567      1.64352  3.03504  0.264154  2.84189  0.289159  
1 1 1 24 4  39 o 1.69582  0.338967  3.24753      1.10901  1.79974      1.63155  4.49095      1.51201  1.27672  0.476349  1.96211  0.399168  
1 1 1 24 4  40 o 0.967312 0.37647   0.871085     1.04768  0.670564     1.43363  1.10091      1.53482  1.00122  0.421111  1.09587  0.445585  
1 1 1 24 4  41 o 1.5637   0.342349  2.89861      1.0413   2.94535      1.53061  2.85834      1.42076  1.48253  0.464691  1.47606  0.444754  
1 1 1 24 4  42 o 0.875013 0.359873  0.661038     1.01265  -0.489564    1.42126  1.84745      1.44321  0.789593 0.368147  1.17283  0.445465  
1 1 1 24 4  43 o 0.625936 0.299088  -0.853097    1.04528  -0.422145    1.50011  -1.25982     1.45733  0.793033 0.371999  0.704255 0.340372  
1 1 1 24 4  44 o 0.911273 0.382676  1.05167      1.18078  2.57128      1.68403  -0.417924    1.65608  1.17515  0.471188  0.784865 0.37537   
1 1 1 24 4  45 o 0.773116 0.355184  0.527413     1.26299  1.41785      1.74444  -0.453544    1.83097  0.899139 0.414824  0.746688 0.365425  
1 1 1 24 4  46 o 0.876519 0.383313  1.55591      1.27448  2.4999       1.80529  0.617974     1.7995   0.940739 0.42913   0.769421 0.37318   
1 1 1 24 5  0  o 2.38558  0.0908444 5.7163       0.432006 5.7163       0.432006 5.7163       0.432006 2.38824  0.064058  ?        ?         
1 1 1 24 5  1  o 4.27346  0.0500344 18.2636      0.42764  18.991       0.631021 17.6459      0.581551 4.35757  0.0724052 4.20044  0.0692251 
1 1 1 24 5  2  o 5.01884  0.0491773 25.1903      0.493625 24.5372      0.686095 25.891       0.710739 4.9532   0.0692578 5.088    0.0698446 
1 1 1 24 5  3  o 2.41717  0.0602589 5.84324      0.291312 5.88412      0.417458 5.80443      0.406707 2.42549  0.0860564 2.40902  0.0844133 
1 1 1 24 5  4  o 15.8554  0.108338  251.467      3.43548  249.082      4.86881  253.831      4.84826  15.7776  0.154295  15.9274  0.152198  
1 1 1 24 5  5  o 10.2534  0.0763417 105.146      1.56552  104.493      2.20203  105.814      2.22612  10.2207  0.107724  10.2851  0.10822   
1 1 1 24 5  6  o 15.0341  0.106843  226.086      3.21258  224.652      4.51448  227.557      4.57263  14.9843  0.150641  15.0808  0.151604  
1 1 1 24 5  7  o 4.41043  0.0568739 19.4534      0.501677 19.1759      0.700705 19.7453      0.71859  4.37869  0.0800131 4.44322  0.0808636 
1 1 1 24 5  8  o 10.962   0.0829009 120.184      1.81753  120.513      2.55787  119.849      2.58305  10.9762  0.116519  10.9459  0.117992  
1 1 1 24 5  9  o 8.6368   0.0700441 74.6012      1.20991  74.8674      1.68238  74.316       1.74129  8.65181  0.0972272 8.61983  0.101005  
1 1 1 24 5  10 o 14.5396  0.102897  211.437      2.99215  214.392      4.29264  208.644      4.17297  14.6394  0.146612  14.4419  0.144474  
1 1 1 24 5  11 o 15.601   0.11125   243.437      3.47124  244.162      4.86885  242.688      4.9503   15.6227  0.155826  15.5754  0.158914  
1 1 1 24 5  12 o 23.1507  0.16458   536.17       7.6203   536.728      10.923   535.642      10.6362  23.1577  0.235839  23.1348  0.229874  
1 1 1 24 5  13 o 27.9136  0.190694  779.591      10.6459  772.791      14.6253  787.254      15.5262  27.7845  0.263192  28.0417  0.276842  
1 1 1 24 5  14 o 15.4853  0.114212  239.843      3.53722  244.737      5.15936  235.502      4.85893  15.6408  0.164933  15.3431  0.158342  
1 1 1 24 5  15 o 29.3358  0.202853  861.198      11.9017  854.703      16.53    868.19       17.1502  29.2148  0.282904  29.4432  0.291242  
1 1 1 24 5  16 o 8.85605  0.0797002 78.4397      1.41166  78.2372      1.98106  78.6486      2.01207  8.84406  0.112     8.86725  0.113455  
1 1 1 24 5  17 o 21.6914  0.150697  470.745      6.53767  472.038      9.26348  469.462      9.22794  21.7159  0.213288  21.6566  0.213051  
1 1 1 24 5  18 o 16.288   0.120815  265.388      3.93568  266.14       5.56878  264.637      5.56301  16.3083  0.170734  16.2622  0.171041  
1 1 1 24 5  19 o 9.39834  0.0908313 88.3479      1.70733  86.9856      2.3965   89.752       2.43296  9.32458  0.128504  9.4717   0.128433  
1 1 1 24 5  20 o 19.1643  0.144772  367.5        5.54889  365.956      7.71114  369.158      7.99097  19.1183  0.201669  19.201   0.208088  
1 1 1 24 5  21 o 11.3099  0.107277  127.967      2.42659  130.425      3.37305  125.331      3.49355  11.4158  0.147736  11.1901  0.1561    
1 1 1 24 5  22 o 4.28359  0.109646  18.3594      0.939357 18.0991      1.29583  18.6477      1.36367  4.25198  0.152379  4.31576  0.157987  
1 1 1 24 5  23 o 3.75979  0.117853  14.1471      0.886206 15.5789      1.27462  12.8074      1.23299  3.9441   0.161586  3.57574  0.17241   
1 1 1 24 5  24 o 14.4086  0.110692  207.783      3.18985  205.687      4.51399  209.873      4.50828  14.3295  0.157507  14.4749  0.155728  
1 1 1 24 5  25 o 7.33758  0.089322  53.8775      1.31081  53.3619      1.81977  54.4337      1.88975  7.29995  0.124643  7.37261  0.12816   
1 1 1 24 5  26 f 7.74778  0.0931982 60.0852      1.44416  59.7289      1.96993  60.4993      2.12339  7.72158  0.12756   7.7702   0.136637  
1 1 1 24 5  27 o 4.20402  0.114653  17.7046      0.964007 19.2776      1.40219  16.2947      1.3275   4.38319  0.159951  4.02942  0.164726  
1 1 1 24 5  28 o 3.50388  0.135113  12.3121      0.946835 12.2147      1.32293  12.4143      1.35573  3.48509  0.189799  3.51311  0.192952  
1 1 1 24 5  29 o 6.78996  0.0961519 46.1841      1.30574  46.8682      1.85221  45.5083      1.84102  6.83418  0.13551   6.7341   0.136694  
1 1 1 24 5  30 o 1.34732  0.312367  1.92539      0.82602  2.75913      1.16747  1.08966      1.16887  1.60687  0.370584  1.11726  0.405096  
1 1 1 24 5  31 o 0.877199 0.343053  0.501886     0.872117 1.49893      1.22988  -0.506514    1.23687  1.23229  0.418093  0.813476 0.365162  
1 1 1 24 5  32 o 4.19382  0.126255  17.6752      1.05898  18.1666      1.52046  17.2122      1.47578  4.24103  0.179256  4.12824  0.178743  
1 1 1 24 5  33 o 3.86432  0.145652  15.047       1.12569  16.1196      1.62967  14.0682      1.55677  3.98484  0.204484  3.72137  0.209166  
1 1 1 24 5  34 f 2.61762  0.185856  6.94592      0.973001 7.89358      1.33109  5.85853      1.42585  2.77796  0.239581  2.37823  0.299771  
1 1 1 24 5  35 o 3.71564  0.138642  13.9388      1.03029  14.3244      1.41607  13.505       1.5018   3.75165  0.188727  3.63652  0.206489  
1 1 1 24 5  36 o 2.60344  0.195705  6.92799      1.01901  5.45672      1.37062  8.74627      1.52371  2.27693  0.30098   2.89996  0.262712  
1 1 1 24 5  37 o 0.735648 0.328265  -0.271102    0.986427 0.083546     1.34232  -0.687481    1.45446  0.916092 0.396955  0.840665 0.384094  
1 1 1 24 5  38 o 2.83842  0.195104  8.28932      1.10758  7.06564      1.52163  9.66823      1.61526  2.57408  0.295567  3.02865  0.266663  
1 1 1 24 5  39 o 1.55955  0.359665  2.79606      1.09971  2.5752       1.61354  2.98764      1.5028   1.45141  0.478885  1.56336  0.453928  
1 1 1 24 5  40 o 0.772349 0.341428  -0.0441624   1.0387   -1.81439     1.4312   1.92597      1.50985  0.691627 0.334792  1.26041  0.460072  
1 1 1 24 5  41 o 0.776382 0.337812  0.13404      0.979724 0.380171     1.40546  -0.0986102   1.36644  0.927303 0.40405   0.846977 0.381826  
1 1 1 24 5  42 o 1.32271  0.377248  2.27847      1.04707  2.9396       1.47168  1.6007       1.49007  1.42402  0.456847  1.11498  0.444696  
1 1 1 24 5  43 o 0.901854 0.375211  0.847535     1.11858  2.07044      1.56908  -0.41619     1.59506  1.15872  0.458154  0.806585 0.379581  
1 1 1 24 5  44 o 0.878472 0.377233  0.883011     1.19193  -0.67463     1.71574  2.33598      1.65709  0.770931 0.37191   1.13236  0.462131  
1 1 1 24 5  45 o 0.936156 0.394118  1.60806      1.25769  1.24822      1.74067  2.00111      1.81923  0.872548 0.407055  0.951973 0.43332   
1 1 1 24 5  46 o 0.566609 0.281926  -1.25684     1.25782  -0.164415    1.78049  -2.34519     1.77716  0.697221 0.344855  0.593121 0.300171  
1 1 1 24 6  0  o 21.004   0.20694   441.533      8.69123  441.533      8.69123  441.533      8.69123  21.0083  0.146282  ?        ?         
1 1 1 24 6  1  o 11.3427  0.0840016 128.68       1.90562  130.077      2.78982  127.459      2.60913  11.403   0.122329  11.2879  0.115573  
1 1 1 24 6  2  o 18.4252  0.126072  339.623      4.64579  342.05       6.76183  337.453      6.39389  18.4868  0.182883  18.3629  0.174098  
1 1 1 24 6  3  o 10.9259  0.0772961 119.393      1.68906  120.157      2.42847  118.678      2.35081  10.9599  0.110789  10.8923  0.107911  
1 1 1 24 6  4  o 3.77203  0.0547759 14.2293      0.413233 13.5199      0.558215 15.0892      0.614651 3.67669  0.0759128 3.88419  0.0791222 
1 1 1 24 6  5  o 19.1771  0.134369  367.918      5.15362  369.716      7.31457  366.146      7.26234  19.2196  0.19029   19.1266  0.189849  
1 1 1 24 6  6  o 11.035   0.0816423 121.791      1.80185  122.632      2.56227  120.969      2.53436  11.0722  0.115708  10.9968  0.115231  
1 1 1 24 6  7  o 10.9915  0.0834496 120.833      1.83448  121.056      2.61     120.615      2.57896  11.0008  0.118628  10.9807  0.117431  
1 1 1 24 6  8  o 8.34432  0.0706652 69.6345      1.17931  69.4593      1.70665  69.7947      1.63147  8.33334  0.102399  8.35352  0.0976516 
1 1 1 24 6  9  o 14.2477  0.103041  203.035      2.93618  206.688      4.22701  199.629      4.08158  14.3739  0.147038  14.1264  0.144467  
1 1 1 24 6  10 o 3.83972  0.0628954 14.7444      0.483001 14.9172      0.693204 14.5813      0.673361 3.86202  0.0897462 3.81831  0.0881753 
1 1 1 24 6  11 o 21.445   0.152689  460.043      6.54884  458.071      9.12678  462.136      9.40228  21.3954  0.213289  21.4897  0.218762  
1 1 1 24 6  12 o 3.34663  0.0799377 11.201       0.535044 9.91749      0.756373 12.4865      0.75696  3.14886  0.120103  3.53332  0.107117  
1 1 1 24 6  13 o 7.35471  0.0723623 54.0959      1.06441  55.7298      1.58741  52.7612      1.43474  7.4646   0.106329  7.26315  0.0987684 
1 1 1 24 6  14 o 13.8344  0.107915  191.426      2.98588  190.745      4.32024  192.049      4.13143  13.8083  0.156436  13.8557  0.149088  
1 1 1 24 6  15 o 9.56936  0.0784049 91.5828      1.50057  94.1756      2.20313  89.3391      2.04944  9.70326  0.113525  9.45092  0.108426  
1 1 1 24 6  16 f 19.5323  0.138382  381.662      5.40583  381.642      7.55507  381.683      7.73822  19.5281  0.193441  19.5288  0.198123  
1 1 1 24 6  17 o 12.6966  0.0956824 161.236      2.42969  162.931      3.41799  159.504      3.45449  12.762   0.133913  12.6269  0.136791  
1 1 1 24 6  18 o 5.41712  0.0887164 29.3506      0.961174 29.8609      1.37469  28.8626      1.34443  5.46347  0.125807  5.37139  0.125147  
1 1 1 24 6  19 o 5.16245  0.0915571 26.6569      0.945318 25.233       1.31962  28.1579      1.35484  5.02206  0.131383  5.30522  0.127689  
1 1 1 24 6  20 o 9.72349  0.0962839 94.5736      1.87243  95.4839      2.66259  93.6829      2.63368  9.76875  0.136281  9.67619  0.136091  
1 1 1 24 6  21 o 8.95175  0.094513  80.1619      1.69211  78.5825      2.32558  81.9387      2.46667  8.86166  0.131216  9.04867  0.1363    
1 1 1 24 6  22 o 10.8299  0.0954802 117.34       2.06809  117.222      2.87167  117.466      2.98081  10.8222  0.132675  10.8331  0.137578  
1 1 1 24 6  23 o 1.67086  0.241339  2.80138      0.806489 2.54505      1.15128  3.04837      1.13011  1.55785  0.373738  1.71029  0.342476  
1 1 1 24 6  24 o 8.12103  0.0892439 65.9888      1.4495   63.5606      2.00988  68.6205      2.09243  7.96789  0.126124  8.27896  0.12637   
1 1 1 24 6  25 o 4.03198  0.113145  16.2763      0.912399 15.1724      1.26788  17.4619      1.31401  3.89037  0.162951  4.17393  0.157406  
1 1 1 24 6  26 o 2.25865  0.194012  5.12311      0.876411 5.08007      1.19411  5.17336      1.29034  2.24495  0.265954  2.26415  0.284951  
1 1 1 24 6  27 o 2.96905  0.145926  8.84113      0.866524 7.81745      1.22853  9.8546       1.22239  2.78665  0.220432  3.13099  0.195208  
1 1 1 24 6  28 o 2.64036  0.169382  7.0039       0.89446  6.55617      1.28332  7.42689      1.24736  2.54733  0.251895  2.71354  0.22984   
1 1 1 24 6  29 o 3.74919  0.124016  14.0987      0.929918 14.2944      1.31111  13.9005      1.31913  3.76969  0.173902  3.71694  0.177448  
1 1 1 24 6  30 o 1.12947  0.3374    1.32555      0.82003  1.07184      1.14789  1.58998      1.17188  1.10731  0.401448  1.25394  0.408116  
1 1 1 24 6  31 o 4.40589  0.120471  19.4898      1.06156  21.3041      1.53831  17.8404      1.46679  4.59803  0.16728   4.2063   0.174356  
1 1 1 24 6  32 o 4.72799  0.114298  22.4468      1.0808   22.7755      1.56295  22.1456      1.49621  4.75173  0.164461  4.68674  0.159621  
1 1 1 24 6  33 o 1.23601  0.378791  1.62163      1.02476  0.756799     1.4533   2.47683      1.44519  1.09515  0.438297  1.50443  0.447608  
1 1 1 24 6  34 o 2.11027  0.224799  4.5433       0.948775 3.40599      1.27928  5.9336       1.41442  1.76639  0.373613  2.39416  0.295389  
1 1 1 24 6  35 o 1.94642  0.235882  3.89496      0.918249 3.66968      1.26276  4.14776      1.33768  1.83119  0.357546  1.9496   0.356306  
1 1 1 24 6  36 o 1.17679  0.365733  1.50767      0.950819 2.30544      1.3157   0.635581     1.37562  1.42641  0.427633  1.03008  0.420834  
1 1 1 24 6  37 o 1.24154  0.367423  1.7217       0.975548 1.74681      1.34693  1.69399      1.41484  1.26588  0.437178  1.25876  0.446742  
1 1 1 24 6  38 o 2.0863   0.256536  4.57136      1.07042  5.32052      1.48383  3.75847      1.54566  2.21352  0.335176  1.78149  0.436617  
1 1 1 24 6  39 o 3.9813   0.156287  16.1932      1.24445  17.2156      1.85625  15.3586      1.67719  4.05599  0.228828  3.83856  0.218466  
1 1 1 24 6  40 o 0.840732 0.355312  0.345262     1.02873  1.33278      1.44645  -0.665506    1.46338  1.12339  0.441246  0.813034 0.376941  
1 1 1 24 6  41 o 0.616407 0.293306  -0.92564     0.985147 -1.37297     1.42237  -0.513205    1.36577  0.71701  0.344107  0.790766 0.365672  
1 1 1 24 6  42 o 1.03205  0.380562  1.31849      1.03535  0.394463     1.44551  2.2919       1.48363  0.900932 0.399944  1.25813  0.456371  
1 1 1 24 6  43 o 1.16705  0.402622  1.9743       1.14216  1.70192      1.63222  2.23565      1.5988   1.07899  0.451348  1.17674  0.46336   
1 1 1 24 6  44 o 0.643084 0.309441  -0.809353    1.16918  -0.458935    1.67368  -1.14334     1.63397  0.779073 0.373741  0.718351 0.350231  
1 1 1 24 6  45 o 0.50303  0.253738  -2.53741     1.2075   -1.81464     1.68182  -3.30638     1.73473  0.63741  0.31838   0.580213 0.294252  
1 1 1 24 6  46 o 0.630266 0.307223  -0.234131    1.25495  0.967717     1.7699   -1.44931     1.77969  0.750497 0.365653  0.618757 0.312046  
1 1 1 24 7  0  o 3.42457  0.074324  11.745       0.508514 11.745       0.508514 11.745       0.508514 3.42584  0.0525075 ?        ?         
1 1 1 24 7  1  o 11.0371  0.0786333 121.836      1.73577  121.605      2.45371  122.068      2.45579  11.0258  0.111271  11.0467  0.111155  
1 1 1 24 7  2  o 19.6079  0.133926  384.638      5.25203  389.235      7.51515  380.25       7.34283  19.7202  0.190545  19.4915  0.18836   
1 1 1 24 7  3  o 17.6723  0.12852   312.435      4.54248  315.584      6.56279  309.539      6.29372  17.7573  0.184792  17.5868  0.178933  
1 1 1 24 7  4  o 7.68953  0.0632344 59.1345      0.972486 59.0977      1.3773   59.171       1.37331  7.68676  0.0895893 7.69153  0.0892742 
1 1 1 24 7  5  o 12.1982  0.0866298 148.821      2.11345  151.361      3.03013  146.415      2.94924  12.3007  0.123169  12.0981  0.121889  
1 1 1 24 7  6  o 10.0368  0.0797535 100.751      1.60093  99.9514      2.31854  101.48       2.21325  9.99601  0.115973  10.0723  0.109868  
1 1 1 24 7  7  f 16.3127  0.114346  266.175      3.73057  268.036      5.37505  264.445      5.1819   16.3672  0.164202  16.2575  0.15937   
1 1 1 24 7  8  o 4.40251  0.0575284 19.3832      0.506538 19.3073      0.74345  19.4491      0.692018 4.39371  0.0846038 4.40986  0.0784627 
1 1 1 24 7  9  o 11.1948  0.0841965 125.337      1.88512  125.322      2.67506  125.352      2.65695  11.1934  0.119493  11.1947  0.118669  
1 1 1 24 7  10 o 19.9181  0.142333  396.852      5.67002  395.875      7.91076  397.885      8.13102  19.8906  0.198857  19.9407  0.20388   
1 1 1 24 7  11 f 10.316   0.0786362 106.43       1.62243  106.001      2.29188  106.861      2.29704  10.2947  0.111313  10.3364  0.111114  
1 1 1 24 7  12 o 4.83424  0.0633263 23.3713      0.612269 24.5282      0.887819 22.3221      0.84549  4.95229  0.0896372 4.72434  0.0894823 
1 1 1 24 7  13 o 14.8619  0.107071  220.913      3.18256  220.091      4.44066  221.782      4.56349  14.8329  0.14969   14.8897  0.153244  
1 1 1 24 7  14 o 9.16351  0.0808599 83.9791      1.48192  85.2288      2.05492  82.6248      2.13912  9.23097  0.111306  9.08875  0.11768   
1 1 1 24 7  15 o 12.529   0.102447  157.009      2.56712  160.519      3.8448   154.185      3.44838  12.6668  0.151767  12.4148  0.138882  
1 1 1 24 7  16 o 11.8127  0.091996  139.566      2.17345  139.46       3.10349  139.668      3.04479  11.8072  0.131424  11.816   0.128842  
1 1 1 24 7  17 o 19.4553  0.139836  378.67       5.4411   376.113      7.46525  381.568      7.9471   19.3857  0.192546  19.5248  0.203513  
1 1 1 24 7  18 o 6.46733  0.0897514 41.8346      1.1609   40.7937      1.68565  42.7739      1.60114  6.3856   0.131988  6.53895  0.122431  
1 1 1 24 7  19 o 6.42158  0.0863955 41.2453      1.10959  41.9197      1.55518  40.5461      1.5836   6.47321  0.120124  6.36618  0.124376  
1 1 1 24 7  20 o 11.9168  0.108257  142.065      2.58016  143.487      3.61459  140.587      3.68421  11.9741  0.150934  11.8522  0.155422  
1 1 1 24 7  21 o 8.65215  0.0918661 74.8865      1.58968  74.3641      2.25264  75.4048      2.24367  8.62031  0.130659  8.68049  0.129237  
1 1 1 24 7  22 o 5.35335  0.0957138 28.6719      1.02478  28.6213      1.42062  28.7269      1.4797   5.34746  0.132831  5.35712  0.138106  
1 1 1 24 7  23 o 7.27407  0.0869532 52.9367      1.26501  54.8235      1.82159  51.1793      1.75808  7.40081  0.123067  7.15061  0.122932  
1 1 1 24 7  24 o 7.61683  0.0911845 58.0525      1.38907  59.4947      1.92896  56.4991      2.00197  7.70867  0.125116  7.51149  0.13326   
1 1 1 24 7  25 o 5.58677  0.0948774 31.2402      1.06012  31.6928      1.46529  30.7431      1.53564  5.62489  0.130251  5.53935  0.138612  
1 1 1 24 7  26 o 2.27927  0.190989  5.2172       0.870632 6.34205      1.28257  4.25592      1.18565  2.50874  0.25562   2.05297  0.288766  
1 1 1 24 7  27 o 4.95967  0.102439  24.6349      1.01612  24.8769      1.47637  24.4171      1.40065  4.97988  0.148234  4.93429  0.14193   
1 1 1 24 7  28 o 0.898454 0.337392  0.616922     0.82112  0.636278     1.16251  0.597651     1.15997  1.00757  0.395631  0.998199 0.394164  
1 1 1 24 7  29 o 2.72947  0.157583  7.48709      0.860237 6.82322      1.20823  8.16959      1.22506  2.59815  0.232518  2.84512  0.215292  
1 1 1 24 7  30 o 1.92316  0.220328  3.74028      0.847455 4.19344      1.20954  3.30331      1.18773  2.02698  0.29836   1.76425  0.349027  
1 1 1 24 7  31 o 3.21765  0.152495  10.4215      0.981353 11.0708      1.39236  9.78059      1.38337  3.30673  0.210535  3.1058   0.222707  
1 1 1 24 7  32 o 1.77012  0.246598  3.19584      0.873017 2.38488      1.21103  4.07326      1.25967  1.47974  0.39975   1.98528  0.317253  
1 1 1 24 7  33 o 5.48372  0.122284  30.2317      1.34114  29.6474      1.89884  30.8133      1.89448  5.41498  0.175332  5.52172  0.171548  
1 1 1 24 7  34 o 1.17673  0.352172  1.47737      0.892844 2.28109      1.23426  0.595138     1.29314  1.4402   0.409208  1.0164   0.410667  
1 1 1 24 7  35 o 0.996599 0.355885  0.941181     0.899103 0.969581     1.23475  0.909126     1.31179  1.07505  0.410953  1.07823  0.420925  
1 1 1 24 7  36 o 2.26324  0.216602  5.26535      0.980443 3.75138      1.35023  6.95398      1.42599  1.83083  0.381315  2.57887  0.276475  
1 1 1 24 7  37 o 1.59711  0.319986  2.81221      0.986044 4.49311      1.38033  1.06062      1.40906  2.03954  0.338393  1.11171  0.43579   
1 1 1 24 7  38 o 2.33382  0.227436  5.6633       1.06159  6.13176      1.49674  5.18907      1.50592  2.3876   0.313441  2.18005  0.345385  
1 1 1 24 7  39 o 2.73864  0.202588  7.78479      1.10963  9.13925      1.65055  6.66778      1.4989   2.91706  0.282913  2.47956  0.302252  
1 1 1 24 7  40 o 0.952284 0.371145  0.858339     1.019    1.15262      1.45686  0.576469     1.4258   1.08564  0.437025  0.975405 0.415506  
1 1 1 24 7  41 o 1.48419  0.361     2.70175      1.0628   2.86853      1.50246  2.53472      1.5036   1.44804  0.461303  1.36421  0.462283  
1 1 1 24 7  42 o 0.927716 0.37319   0.900893     1.06128  0.869835     1.49434  0.9325       1.50748  0.978358 0.421311  0.990013 0.424654  
1 1 1 24 7  43 o 0.707413 0.327761  -0.238936    1.10413  -0.417849    1.57394  -0.0655782   1.54931  0.790863 0.373669  0.822239 0.383757  
1 1 1 24 7  44 o 0.629715 0.304706  -0.957656    1.1812   -1.32001     1.66965  -0.594591    1.6713   0.710142 0.34787   0.76339  0.367974  
1 1 1 24 7  45 o 0.65663  0.315793  -0.334497    1.21372  -0.00581849  1.69006  -0.684546    1.74414  0.746802 0.362036  0.706704 0.348069  
1 1 1 24 8  0  o 7.75268  0.0833185 60.1299      1.29155  60.1299      1.29155  60.1299      1.29155  7.75351  0.0589011 ?        ?         
1 1 1 24 8  1  o 10.5913  0.0746491 112.191      1.58126  110.833      2.21381  113.605      2.25937  10.5263  0.105156  10.6571  0.106003  
1 1 1 24 8  2  o 8.73625  0.0686842 76.3307      1.20009  74.7849      1.66671  77.9949      1.72938  8.64686  0.0963766 8.83045  0.0979213 
1 1 1 24 8  3  o 19.7904  0.138261  391.838      5.47248  393.808      7.77675  389.905      7.70231  19.8355  0.196031  19.737   0.195123  
1 1 1 24 8  4  o 8.40838  0.0679226 70.7084      1.14224  69.1301      1.73014  71.9279      1.52077  8.31338  0.104058  8.48022  0.0896656 
1 1 1 24 8  5  o 15.8531  0.10978   251.391      3.48072  251.063      4.91915  251.719      4.92581  15.8406  0.15527   15.8613  0.155278  
1 1 1 24 8  6  o 29.7093  0.20597   883.412      12.2385  884.54       17.3257  882.288      17.29    29.7148  0.291532  29.677   0.291303  
1 1 1 24 8  7  o 8.6746   0.0686408 75.2553      1.19086  76.4406      1.71249  74.1454      1.65714  8.74224  0.0979435 8.61002  0.0962333 
1 1 1 24 8  8  o 16.9631  0.12025   287.818      4.07962  295.387      5.91272  280.94       5.63613  17.1824  0.172057  16.7572  0.168171  
1 1 1 24 8  9  o 12.3622  0.0934547 152.845      2.31061  154.582      3.30111  151.176      3.23528  12.4314  0.132773  12.2937  0.131583  
1 1 1 24 8  10 f 9.68873  0.0764571 93.8795      1.48154  96.0886      2.13905  91.8427      2.05398  9.80161  0.109117  9.58264  0.107172  
1 1 1 24 8  11 o 16.9281  0.117121  286.619      3.96527  285.508      5.5371   287.789      5.68117  16.8936  0.163882  16.9607  0.16748   
1 1 1 24 8  12 o 6.0421   0.0632165 36.5091      0.763921 37.3594      1.09987  35.7166      1.06183  6.11186  0.0899785 5.97598  0.0888412 
1 1 1 24 8  13 o 12.0373  0.0947359 144.916      2.28072  147.884      3.24229  142.009      3.20881  12.159   0.133329  11.915   0.134654  
1 1 1 24 8  14 o 15.3698  0.109633  236.282      3.37007  235.531      4.65434  237.11       4.88611  15.3439  0.151668  15.3949  0.158692  
1 1 1 24 8  15 o 6.0932   0.0782897 37.1317      0.954069 34.9791      1.36016  39.2167      1.33861  5.91352  0.115004  6.26159  0.106891  
1 1 1 24 8  16 o 10.0124  0.0856136 100.263      1.71439  100.991      2.39942  99.5034      2.45041  10.0479  0.119399  9.97353  0.122845  
1 1 1 24 8  17 o 10.8954  0.0913786 118.732      1.99121  119.093      2.76824  118.345      2.86631  10.911   0.126856  10.8765  0.131767  
1 1 1 24 8  18 o 17.6645  0.135379  312.182      4.78279  312.586      6.77761  311.782      6.75025  17.6716  0.191765  17.6489  0.191237  
1 1 1 24 8  19 o 6.90611  0.0866817 47.7049      1.19727  50.2291      1.73508  45.4106      1.65419  7.08567  0.122436  6.73724  0.122765  
1 1 1 24 8  20 o 9.17624  0.0963502 84.2309      1.76827  84.3502      2.48239  84.1079      2.51943  9.18127  0.135188  9.16798  0.137404  
1 1 1 24 8  21 o 16.6281  0.127914  276.697      4.25392  273.945      6.08804  279.322      5.94636  16.5385  0.184056  16.7009  0.178025  
1 1 1 24 8  22 o 3.32621  0.13169   11.0741      0.876055 10.5826      1.19883  11.6374      1.28334  3.2501   0.18443   3.4081   0.188278  
1 1 1 24 8  23 o 0.871531 0.334019  0.513224     0.817443 1.19994      1.16125  -0.161313    1.1509   1.15767  0.405336  0.848358 0.367584  
1 1 1 24 8  24 o 3.13405  0.137979  9.83727      0.864865 11.1416      1.19558  8.40558      1.25262  3.33356  0.179325  2.89375  0.216435  
1 1 1 24 8  25 o 4.37138  0.110546  19.1335      0.966479 17.7938      1.341    20.5815      1.39416  4.21272  0.159161  4.5311   0.153844  
1 1 1 24 8  26 o 1.08536  0.339078  1.18713      0.815858 -0.473255    1.18431  2.68676      1.12552  0.806269 0.359735  1.5954   0.361105  
1 1 1 24 8  27 o 6.71498  0.0915192 45.1462      1.2291   44.8681      1.73869  45.4239      1.73773  6.69004  0.129946  6.73146  0.129075  
1 1 1 24 8  28 o 4.16078  0.11591   17.3531      0.964549 17.4668      1.40032  17.2505      1.33051  4.16892  0.167948  4.14392  0.160538  
1 1 1 24 8  29 o 2.44202  0.172668  5.9999       0.843315 6.29892      1.22676  5.732        1.16119  2.49443  0.2459    2.37976  0.243972  
1 1 1 24 8  30 o 4.0437   0.119593  16.4081      0.967199 16.4373      1.32264  16.3745      1.41798  4.04125  0.163643  4.0315   0.175863  
1 1 1 24 8  31 o 3.49152  0.138262  12.2586      0.965487 13.8929      1.35175  10.5565      1.37948  3.70956  0.182199  3.22784  0.213684  
1 1 1 24 8  32 o 2.09655  0.215511  4.46508      0.903658 3.66215      1.24881  5.34764      1.30927  1.8478   0.350612  2.28038  0.287073  
1 1 1 24 8  33 f 1.37625  0.342038  2.05106      0.938537 3.07457      1.36987  1.14558      1.28845  1.66977  0.412154  1.14161  0.423833  
1 1 1 24 8  34 o 1.50236  0.310752  2.42891      0.90207  3.13335      1.24917  1.66124      1.30403  1.68843  0.379224  1.26768  0.430512  
1 1 1 24 8  35 o 2.53747  0.185732  6.55618      0.942577 7.53272      1.31694  5.53048      1.34968  2.70237  0.243663  2.29978  0.293436  
1 1 1 24 8  36 o 1.24864  0.363809  1.72802      0.963695 2.28916      1.32888  1.10555      1.39961  1.4184   0.430687  1.12861  0.435977  
1 1 1 24 8  37 o 3.16584  0.169064  10.2312      1.07046  10.9408      1.49916  9.4931       1.52899  3.24543  0.230964  3.01142  0.253866  
1 1 1 24 8  38 o 0.759694 0.336347  -0.158916    1.01323  1.22197      1.42711  -1.56257     1.43882  1.13909  0.440194  0.733193 0.350472  
1 1 1 24 8  39 o 0.771819 0.342234  -0.12312     1.05438  0.105045     1.5446   -0.322208    1.44283  0.949082 0.418365  0.862625 0.390428  
1 1 1 24 8  40 o 1.02345  0.376055  1.13767      1.0102   1.68131      1.42982  0.595825     1.42745  1.19209  0.4457    0.977086 0.41597   
1 1 1 24 8  41 o 1.02471  0.381544  1.20301      1.04569  2.81339      1.47103  -0.441946    1.48674  1.43044  0.456529  0.824393 0.381337  
1 1 1 24 8  42 o 0.707358 0.322759  -0.218895    1.02275  -0.0144788   1.42811  -0.434121    1.46538  0.838964 0.382428  0.796935 0.37244   
1 1 1 24 8  43 o 0.684676 0.321316  -0.422063    1.12381  -0.323305    1.58511  -0.521876    1.59355  0.795772 0.375631  0.778631 0.371389  
1 1 1 24 8  44 o 0.557039 0.276499  -1.79507     1.174    -0.38983     1.66311  -3.19083     1.65749  0.770333 0.370277  0.598439 0.301688  
1 1 1 24 8  45 o 1.20395  0.421887  2.85218      1.25823  1.75232      1.73735  4.06538      1.82467  0.917188 0.419362  1.23429  0.492157  
1 1 1 24 9  0  o 8.34171  0.096527  69.6197      1.60992  69.6197      1.60992  69.6197      1.60992  8.34277  0.0682359 ?        ?         
1 1 1 24 9  1  o 12.9717  0.0939955 168.299      2.43856  167.554      3.397    169.091      3.50271  12.9416  0.131243  13.0007  0.134712  
1 1 1 24 9  2  o 1.56201  0.0993167 2.44044      0.310268 1.82863      0.448867 3.00022      0.429353 1.35183  0.166022  1.7318   0.123962  
1 1 1 24 9  3  o 14.8032  0.100744  219.188      2.98267  222.116      4.27312  216.405      4.16521  14.9     0.143394  14.7073  0.141604  
1 1 1 24 9  4  o 16.1724  0.110544  261.615      3.57552  260.921      4.99114  262.347      5.12461  16.1488  0.154536  16.1926  0.158239  
1 1 1 24 9  5  o 26.3645  0.181228  695.549      9.55597  706.098      13.5519  685.117      13.4768  26.5547  0.255169  26.1568  0.257616  
1 1 1 24 9  6  o 14.0746  0.102205  198.133      2.87699  196.584      4.08813  199.652      4.04951  14.018   0.145817  14.127   0.143325  
1 1 1 24 9  7  f 11.0509  0.0852492 122.139      1.88417  125.476      2.76114  119.23       2.57756  11.2001  0.123264  10.9179  0.118042  
1 1 1 24 9  8  o 17.1655  0.124492  294.727      4.27393  298.214      6.11221  291.391      5.97851  17.2645  0.177017  17.0659  0.175159  
1 1 1 24 9  9  o 26.7341  0.186483  715.08       9.97091  712.115      14.0485  718.09       14.1541  26.6716  0.263361  26.7832  0.264235  
1 1 1 24 9  10 o 11.4322  0.0824126 130.707      1.88431  131.497      2.68289  129.938      2.6471   11.466   0.116993  11.3979  0.116122  
1 1 1 24 9  11 o 18.1631  0.123481  329.974      4.48559  332.123      6.38492  327.879      6.30304  18.22    0.175217  18.1033  0.174086  
1 1 1 24 9  12 o 1.65826  0.135117  2.75059      0.448121 2.07798      0.639372 3.4          0.628251 1.44098  0.221854  1.8435   0.170396  
1 1 1 24 9  13 o 5.55692  0.0750494 30.8823      0.834088 34.1649      1.21024  27.9125      1.15113  5.84455  0.103536  5.2827   0.108953  
1 1 1 24 9  14 o 25.1474  0.170538  632.737      8.57714  634.105      12.0285  631.322      12.234   25.1678  0.238965  25.112   0.243588  
1 1 1 24 9  15 o 10.7121  0.084631  114.766      1.81315  115.866      2.58104  113.694      2.54765  10.7625  0.119909  10.6612  0.119483  
1 1 1 24 9  16 o 8.54498  0.0784282 73.0264      1.34033  73.0905      1.86251  72.9575      1.93035  8.54819  0.108942  8.54033  0.113014  
1 1 1 24 9  17 o 5.32624  0.0961407 28.3751      1.02414  30.4911      1.48408  26.4513      1.41508  5.52067  0.134411  5.14191  0.137603  
1 1 1 24 9  18 o 9.75944  0.0918542 95.2684      1.79289  94.9953      2.54209  95.5387      2.52903  9.7443   0.13044   9.77216  0.1294    
1 1 1 24 9  19 o 15.774   0.12219   248.932      3.85483  250.159      5.40553  247.664      5.49878  15.8092  0.170961  15.7299  0.174788  
1 1 1 24 9  20 o 11.8099  0.101126  139.528      2.38857  141.097      3.39565  137.992      3.36051  11.8738  0.14299   11.7424  0.143093  
1 1 1 24 9  21 o 7.45473  0.0902823 55.5945      1.34606  55.949       1.85098  55.1967      1.96101  7.47717  0.123776  7.42635  0.132031  
1 1 1 24 9  22 o 6.30124  0.0905689 39.7242      1.14139  39.7632      1.55347  39.6785      1.6826   6.30308  0.123231  6.29589  0.133627  
1 1 1 24 9  23 o 6.18115  0.0937852 38.2295      1.1594   36.9451      1.61586  39.5925      1.6645   6.07454  0.133003  6.28845  0.132346  
1 1 1 24 9  24 o 4.04172  0.10893   16.3522      0.88053  15.2357      1.23055  17.5237      1.2605   3.89909  0.1578    4.18202  0.150705  
1 1 1 24 9  25 o 5.4878   0.100104  30.1486      1.0987   30.6322      1.58578  29.7022      1.52368  5.5285   0.143419  5.44421  0.139936  
1 1 1 24 9  26 o 4.37771  0.105627  19.192       0.92481  20.4996      1.34356  18.0146      1.2749   4.52119  0.148585  4.23816  0.150407  
1 1 1 24 9  27 o 6.12886  0.0946986 37.614       1.16079  36.1735      1.63803  39.0671      1.6452   6.00589  0.136369  6.24207  0.131784  
1 1 1 24 9  28 o 5.09264  0.100687  25.9831      1.02552  26.9777      1.4819   25.069       1.42066  5.18429  0.142922  4.99764  0.142133  
1 1 1 24 9  29 o 2.44187  0.171975  5.99977      0.839883 6.51986      1.16235  5.43156      1.21494  2.53957  0.228848  2.314    0.262519  
1 1 1 24 9  30 o 3.00559  0.151613  9.08611      0.911374 9.1001       1.22952  9.06905      1.35776  3.0008   0.204865  2.99212  0.226889  
1 1 1 24 9  31 o 3.06712  0.149668  9.47028      0.918099 9.82666      1.31458  9.13094      1.28278  3.11414  0.211067  3.00139  0.213697  
1 1 1 24 9  32 o 2.18553  0.216915  4.85634      0.94815  5.08401      1.35112  4.63544      1.33088  2.21832  0.304537  2.11595  0.314487  
1 1 1 24 9  33 o 1.03912  0.355606  1.0593       0.889722 -0.243452    1.25614  2.37088      1.26039  0.854495 0.376896  1.46939  0.412241  
1 1 1 24 9  34 o 4.1732   0.124644  17.5403      1.04033  18.6178      1.45541  16.4146      1.4876   4.28648  0.169768  4.01993  0.185029  
1 1 1 24 9  35 o 0.958922 0.354403  0.821794     0.898866 0.388922     1.25418  1.27897      1.28891  0.953119 0.396969  1.15567  0.424763  
1 1 1 24 9  36 o 2.03964  0.243982  4.31388      0.995268 6.29602      1.3833   2.18653      1.43307  2.44864  0.282462  1.3902   0.451298  
1 1 1 24 9  37 f 1.91512  0.266196  3.86162      1.01959  2.82307      1.38227  5.10101      1.51002  1.54856  0.430826  2.16263  0.349117  
1 1 1 24 9  38 o 4.3573   0.136403  19.2797      1.18869  18.4478      1.66975  20.1346      1.69262  4.22721  0.1975    4.42044  0.191453  
1 1 1 24 9  39 o 0.88961  0.364952  0.522602     1.03883  -0.692058    1.47709  1.71139      1.46128  0.823352 0.380565  1.22478  0.452031  
1 1 1 24 9  40 o 0.823869 0.347464  0.347195     0.980428 -0.0899973   1.36656  0.810917     1.40741  0.854687 0.383742  1.00945  0.420482  
1 1 1 24 9  41 o 0.9202   0.370159  0.798486     1.04408  1.14312      1.42315  0.396787     1.53646  1.04375  0.4275    0.938362 0.414979  
1 1 1 24 9  42 o 1.521    0.352605  2.93867      1.0526   2.09334      1.50817  3.74152      1.46978  1.20069  0.455576  1.61936  0.441702  
1 1 1 24 9  43 o 0.838071 0.365507  0.616875     1.15233  0.658754     1.66929  0.578751     1.59269  0.90638  0.413239  0.888785 0.404795  
1 1 1 24 9  44 o 0.625453 0.302782  -0.820359    1.17142  -0.866545    1.65398  -0.773875    1.6593   0.717434 0.350248  0.725432 0.353549  
1 1 1 24 9  45 o 0.615293 0.300308  -0.838924    1.21319  -3.08565     1.67624  1.63258      1.75809  0.580001 0.293237  0.908043 0.417963  
1 1 1 24 10 0  o 12.755   0.136363  162.78       3.47774  162.78       3.47774  162.78       3.47774  12.7568  0.0963979 ?        ?         
1 1 1 24 10 1  o 12.4414  0.0918841 154.818      2.28634  154.775      3.16091  154.866      3.31106  12.4386  0.12706   12.442   0.13306   
1 1 1 24 10 2  o 17.1188  0.120519  293.145      4.12629  294.411      5.85504  291.895      5.81606  17.1529  0.170672  17.0795  0.170265  
1 1 1 24 10 3  o 8.34011  0.0719656 69.565       1.2004   67.4189      1.64236  72.0264      1.75887  8.21003  0.100022  8.48588  0.103635  
1 1 1 24 10 4  o 5.95887  0.0590056 35.5106      0.703214 34.7266      0.979434 36.3447      1.01027  5.89252  0.0831082 6.02823  0.0837951 
1 1 1 24 10 5  o 14.4782  0.108933  209.664      3.1543   211.393      4.62031  208.155      4.31684  14.5359  0.158928  14.4245  0.149636  
1 1 1 24 10 6  o 19.6144  0.14279   384.86       5.60148  386.413      8.05893  383.408      7.79124  19.6501  0.20506   19.574   0.19902   
1 1 1 24 10 7  o 13.9908  0.103087  195.777      2.88454  194.727      4.16561  196.743      3.99825  13.9519  0.149284  14.0242  0.142548  
1 1 1 24 10 8  o 9.83512  0.0769072 96.7382      1.51278  97.3037      2.23501  96.2601      2.0551   9.8633   0.113299  9.8104   0.104741  
1 1 1 24 10 9  o 24.1042  0.166622  581.25       8.03259  587.569      11.6164  575.46       11.1194  24.2294  0.239718  23.9791  0.231857  
1 1 1 24 10 10 o 8.17794  0.066002  66.883       1.07952  66.5607      1.52856  67.2037      1.52479  8.15794  0.0936856 8.19725  0.0930063 
1 1 1 24 10 11 o 3.02108  0.0775249 9.12773      0.468418 8.73606      0.663997 9.51575      0.660899 2.9554   0.112336  3.08449  0.107133  
1 1 1 24 10 12 o 15.0642  0.1058    226.97       3.18758  227.126      4.46608  226.808      4.55097  15.0681  0.148197  15.0574  0.151121  
1 1 1 24 10 13 o 19.7235  0.134137  389.139      5.29131  391.656      7.5296   386.685      7.43733  19.7839  0.190296  19.658   0.189168  
1 1 1 24 10 14 o 10.4234  0.0837865 108.663      1.74668  108.744      2.42243  108.575      2.52087  10.4266  0.116166  10.4184  0.120982  
1 1 1 24 10 15 o 7.62564  0.0748775 58.1572      1.14198  57.8646      1.57756  58.4794      1.65524  7.60601  0.103705  7.64623  0.108239  
1 1 1 24 10 16 o 17.0581  0.127535  291.085      4.35102  290.916      6.13734  291.255      6.16933  17.0501  0.17998   17.0599  0.180813  
1 1 1 24 10 17 o 7.82298  0.0805634 61.2089      1.26049  60.3787      1.74131  62.1228      1.82698  7.76915  0.112066  7.88047  0.115918  
1 1 1 24 10 18 o 15.5255  0.119202  241.137      3.70134  243.872      5.14972  238.214      5.32357  15.6103  0.164946  15.4276  0.172534  
1 1 1 24 10 19 o 15.5883  0.127579  243.125      3.97748  242.011      5.66562  244.207      5.58526  15.5483  0.182195  15.619   0.178797  
1 1 1 24 10 20 o 16.1888  0.131073  262.264      4.24382  268.077      6.25984  257.319      5.773    16.3605  0.19131   16.0303  0.180066  
1 1 1 24 10 21 o 6.53596  0.0907056 42.7365      1.1857   42.9683      1.60319  42.4566      1.76164  6.55255  0.122333  6.51287  0.135243  
1 1 1 24 10 22 o 6.11953  0.0896809 37.4668      1.09761  37.3586      1.52735  37.5823      1.57842  6.10929  0.125002  6.12738  0.128801  
1 1 1 24 10 23 o 5.98185  0.091377  35.8042      1.09321  36.2455      1.54831  35.3656      1.54375  6.01677  0.128667  5.94322  0.129875  
1 1 1 24 10 24 o 6.85027  0.0859076 46.9585      1.17698  46.7214      1.64691  47.206       1.68267  6.83068  0.120552  6.86586  0.122539  
1 1 1 24 10 25 o 9.07283  0.0947378 82.3991      1.71908  83.8542      2.47256  81.0375      2.39175  9.14782  0.135145  8.99316  0.132976  
1 1 1 24 10 26 o 2.06105  0.194159  4.26978      0.800345 4.9219       1.1596   3.67652      1.10602  2.20817  0.262569  1.90651  0.290064  
1 1 1 24 10 27 o 8.3809   0.0926942 70.3351      1.55372  69.303       2.19384  71.3737      2.20076  8.31326  0.131948  8.43681  0.130426  
1 1 1 24 10 28 o 1.09605  0.333279  1.23521      0.795376 2.32893      1.12781  0.152975     1.12188  1.47797  0.379594  0.889084 0.373167  
1 1 1 24 10 29 o 3.8729   0.116388  15.0436      0.901522 14.4909      1.24265  15.6577      1.30989  3.79572  0.163691  3.94525  0.166009  
1 1 1 24 10 30 o 1.92287  0.226562  3.74792      0.871299 3.90047      1.18648  3.56937      1.28365  1.95128  0.304026  1.82827  0.36397   
1 1 1 24 10 31 o 1.75663  0.238117  3.13972      0.836568 3.63834      1.20504  2.67585      1.16229  1.8484   0.338583  1.57194  0.374512  
1 1 1 24 10 32 o 2.32931  0.207307  5.50977      0.965766 4.82032      1.39953  6.13654      1.33439  2.15469  0.324764  2.44439  0.27295   
1 1 1 24 10 33 o 2.14726  0.212072  4.69269      0.910747 4.4008       1.25353  5.01904      1.32546  2.06044  0.304189  2.20121  0.301076  
1 1 1 24 10 34 o 3.88391  0.131294  15.2139      1.01986  14.9405      1.39205  15.5306      1.49842  3.8343   0.181527  3.90563  0.191828  
1 1 1 24 10 35 o 1.38192  0.340379  2.1114       0.935809 0.864096     1.29193  3.48827      1.35737  1.05834  0.416593  1.7606   0.395216  
1 1 1 24 10 36 o 0.780775 0.335608  0.0536383    0.94501  1.17646      1.29085  -1.24315     1.38725  1.12247  0.42273   0.754578 0.354781  
1 1 1 24 10 37 o 1.66878  0.314433  3.06907      1.01099  3.04588      1.37523  3.09633      1.49133  1.61086  0.421871  1.61283  0.447103  
1 1 1 24 10 38 o 1.2066   0.376838  1.66397      1.00778  1.48251      1.42974  1.84315      1.42074  1.18851  0.445425  1.27145  0.448032  
1 1 1 24 10 39 o 1.08873  0.380679  1.32671      1.02397  1.57433      1.43631  1.07079      1.46021  1.18581  0.446045  1.0834   0.436947  
1 1 1 24 10 40 o 1.54838  0.335848  2.81947      1.01081  3.75392      1.43269  1.8933       1.42633  1.7246   0.418928  1.23419  0.447493  
1 1 1 24 10 41 o 0.859707 0.360267  0.540771     1.04291  0.776875     1.44011  0.280395     1.51232  0.974054 0.41634   0.911258 0.406546  
1 1 1 24 10 42 o 0.839797 0.354547  0.552307     1.02255  -0.909852    1.43575  2.05738      1.45667  0.736792 0.351691  1.19077  0.448925  
1 1 1 24 10 43 o 0.726529 0.334362  -0.0367945   1.12463  -0.104103    1.66289  0.0199448    1.52676  0.817069 0.385405  0.808769 0.378644  
1 1 1 24 10 44 o 0.567446 0.279465  -1.31995     1.13289  -3.19718     1.592    0.605916     1.61249  0.569844 0.288076  0.82361  0.386224  
1 1 1 24 10 45 o 0.619934 0.302435  -0.745028    1.2253   -0.942518    1.72257  -0.542761    1.74328  0.685611 0.339133  0.712377 0.350907  
1 1 1 24 11 0  o 35.4276  0.332252  1256.83      23.5372  1256.83      23.5372  1256.83      23.5372  35.4396  0.234836  ?        ?         
1 1 1 24 11 1  f 22.3434  0.150747  499.453      6.73641  493.161      9.51515  505.775      9.53833  22.197   0.214335  22.4792  0.212159  
1 1 1 24 11 2  o 7.78982  0.0670626 60.6866      1.04481  61.9863      1.53184  59.556       1.42871  7.8724   0.0972918 7.7166   0.0925741 
1 1 1 24 11 3  o 20.5789  0.145636  423.659      5.99404  431.947      8.72529  416.252      8.24849  20.7746  0.209999  20.3943  0.202225  
1 1 1 24 11 4  o 34.5879  0.248244  1197.65      17.1725  1199.96      24.6402  1195.46      23.9459  34.6005  0.356067  34.5376  0.346664  
1 1 1 24 11 5  o 21.1483  0.151657  447.427      6.4146   444.854      9.02746  450.052      9.11642  21.0832  0.214091  21.206   0.214949  
1 1 1 24 11 6  o 20.7205  0.148602  429.492      6.15821  433.844      9.01103  425.679      8.4355   20.821   0.216393  20.625   0.204497  
1 1 1 24 11 7  o 16.7745  0.116267  281.442      3.90066  283.701      5.5577   279.249      5.47595  16.8399  0.165016  16.7073  0.163879  
1 1 1 24 11 8  o 11.7572  0.0851292 138.245      2.00175  140.582      2.87837  136.057      2.78571  11.8554  0.121395  11.6631  0.119424  
1 1 1 24 11 9  o 15.6938  0.112297  246.341      3.52474  248.144      5.13503  244.734      4.84691  15.7494  0.163023  15.6412  0.154941  
1 1 1 24 11 10 o 12.1497  0.089523  147.633      2.17535  148.692      3.13638  146.651      3.01976  12.1924  0.12862   12.1085  0.124696  
1 1 1 24 11 11 o 5.85537  0.0611525 34.2873      0.716141 34.256       1.00984  34.319       1.01574  5.85252  0.0862736 5.8579   0.0866984 
1 1 1 24 11 12 o 14.3837  0.100625  206.925      2.89472  208.608      4.12171  205.288      4.06636  14.4408  0.142711  14.3254  0.141928  
1 1 1 24 11 13 o 24.0806  0.161825  580.162      7.79367  578.582      10.998   581.755      11.046   24.0418  0.228726  24.1076  0.229098  
1 1 1 24 11 14 o 19.2566  0.131418  370.949      5.06135  373.302      7.2016   368.652      7.11484  19.3141  0.186434  19.1935  0.185345  
1 1 1 24 11 15 o 11.0822  0.0858661 122.835      1.90317  120.583      2.62389  125.334      2.7646   10.9793  0.119492  11.1934  0.123492  
1 1 1 24 11 16 o 16.5834  0.124365  275.109      4.12479  274.861      5.82891  275.357      5.83778  16.5729  0.175857  16.5878  0.175966  
1 1 1 24 11 17 o 9.59052  0.0887101 91.997       1.70155  91.0856      2.38805  92.937       2.4251   9.5419   0.125135  9.63836  0.125804  
1 1 1 24 11 18 o 23.7274  0.178794  563.523      8.4846   578.619      11.8311  547.539      12.1744  24.0327  0.246145  23.3758  0.260405  
1 1 1 24 11 19 o 5.4891   0.0967076 30.1402      1.06168  30.9025      1.43992  29.2321      1.57158  5.55735  0.129551  5.40464  0.145392  
1 1 1 24 11 20 o 8.52963  0.0904646 72.7813      1.54326  73.8999      2.17503  71.6472      2.19004  8.59338  0.126553  8.46126  0.129416  
1 1 1 24 11 21 o 2.50402  0.165375  6.27933      0.828204 6.76321      1.15298  5.7635       1.19043  2.59721  0.221966  2.39679  0.248338  
1 1 1 24 11 22 o 4.52249  0.103871  20.4669      0.939513 21.2093      1.29887  19.6522      1.36063  4.60243  0.141107  4.42973  0.153579  
1 1 1 24 11 23 o 5.75683  0.0882756 33.1611      1.01638  34.4385      1.42013  31.8196      1.45526  5.86508  0.121067  5.63722  0.129076  
1 1 1 24 11 24 o 8.71747  0.0886314 76.0553      1.54528  76.198       2.11205  75.8909      2.26687  8.72268  0.121067  8.70407  0.130219  
1 1 1 24 11 25 o 3.77475  0.116796  14.2715      0.881755 13.33        1.28949  15.0984      1.20843  3.64432  0.176918  3.88013  0.15572   
1 1 1 24 11 26 o 3.77507  0.117333  14.2789      0.885881 13.6952      1.26651  14.838       1.23957  3.693    0.171474  3.84493  0.161196  
1 1 1 24 11 27 o 6.48247  0.0911288 42.0807      1.18148  43.9693      1.66609  40.1703      1.67568  6.62213  0.125797  6.32868  0.132388  
1 1 1 24 11 28 o 4.0912   0.111786  16.7794      0.914681 17.0146      1.31233  16.5573      1.27556  4.11454  0.159475  4.05917  0.157121  
1 1 1 24 11 29 o 1.96121  0.213065  3.88598      0.83573  3.81453      1.17192  3.95992      1.19215  1.93309  0.303119  1.96965  0.302628  
1 1 1 24 11 30 o 2.03654  0.212687  4.19965      0.866294 3.84924      1.18492  4.602        1.26972  1.93715  0.305841  2.11919  0.299577  
1 1 1 24 11 31 o 0.757951 0.317636  0.128695     0.810731 -0.72723     1.1413   1.00055      1.15187  0.742099 0.339552  1.0813   0.40088   
1 1 1 24 11 32 o 2.4423   0.202753  6.05277      0.990366 7.35546      1.42491  4.83538      1.37747  2.67802  0.266038  2.15957  0.318922  
1 1 1 24 11 33 o 5.3289   0.105666  28.5237      1.12616  28.2721      1.56769  28.7919      1.61881  5.29391  0.148065  5.34125  0.151538  
1 1 1 24 11 34 o 1.83211  0.248964  3.46113      0.912255 2.82768      1.24822  4.18741      1.33655  1.59098  0.393873  1.96041  0.353829  
1 1 1 24 11 35 o 2.45345  0.201264  6.16088      0.987582 5.40837      1.33785  7.06192      1.46395  2.26895  0.294819  2.59813  0.281732  
1 1 1 24 11 36 o 1.23347  0.355758  1.69475      0.926096 2.09603      1.2874   1.2644       1.33319  1.35797  0.426281  1.1483   0.430168  
1 1 1 24 11 37 o 1.36957  0.372412  2.14462      1.04682  1.31932      1.41181  3.15245      1.56013  1.16201  0.440815  1.62014  0.45998   
1 1 1 24 11 38 o 0.918636 0.363761  0.66148      0.990478 0.966527     1.43258  0.382118     1.37094  1.07887  0.433755  0.957193 0.407582  
1 1 1 24 11 39 o 2.49124  0.209908  6.51541      1.04586  5.37441      1.41861  7.87399      1.54798  2.19153  0.323658  2.68205  0.288582  
1 1 1 24 11 40 o 1.70796  0.307548  3.3472       1.01225  2.57691      1.43076  4.11916      1.43231  1.39834  0.450636  1.81801  0.4045    
1 1 1 24 11 41 o 1.05187  0.384892  1.35875      1.05728  1.31282      1.47414  1.40739      1.51724  1.06494  0.435454  1.08539  0.442455  
1 1 1 24 11 42 o 1.12082  0.382224  1.69834      1.0279   3.3596       1.45781  0.0557959    1.44958  1.49617  0.450457  0.838729 0.383309  
1 1 1 24 11 43 o 0.619988 0.300054  -1.01635     1.1474   -1.45672     1.65138  -0.605321    1.5954   0.704815 0.345453  0.758913 0.36427   
1 1 1 24 11 44 o 0.767288 0.347273  0.559012     1.14147  0.637834     1.60958  0.479264     1.61902  0.817168 0.383683  0.802813 0.379158  
1 1 1 24 11 45 o 0.778841 0.353715  0.822789     1.19728  0.672094     1.64363  0.993144     1.74756  0.781783 0.373911  0.812817 0.387986  
1 1 1 24 12 0  o 10.9966  0.115066  120.978      2.53003  120.978      2.53003  120.978      2.53003  10.9978  0.0813446 ?        ?         
1 1 1 24 12 1  o 23.8301  0.160436  568.135      7.64641  561.745      10.5891  575.098      11.0531  23.6903  0.22349   23.9696  0.230566  
1 1 1 24 12 2  o 12.8668  0.0909605 165.578      2.34074  166.942      3.33562  164.255      3.28554  12.9187  0.129101  12.8143  0.128198  
1 1 1 24 12 3  o 10.3572  0.0779448 107.282      1.61458  107.102      2.27885  107.463      2.28789  10.3479  0.110111  10.3654  0.110362  
1 1 1 24 12 4  o 4.92991  0.059934  24.3055      0.590938 23.8197      0.860321 24.7394      0.813103 4.88022  0.0881436 4.97359  0.081742  
1 1 1 24 12 5  o 13.4246  0.0972114 180.245      2.61004  181.738      3.72421  178.805      3.65896  13.479   0.138149  13.3698  0.136837  
1 1 1 24 12 6  o 13.9183  0.102922  193.749      2.865    192.449      4.02993  195.078      4.07387  13.8704  0.145271  13.9648  0.145863  
1 1 1 24 12 7  o 7.54652  0.0659059 56.9536      0.99472  58.0119      1.43291  55.9692      1.38196  7.61605  0.094072  7.48078  0.0923675 
1 1 1 24 12 8  o 4.81015  0.0597368 23.1388      0.574687 23.4594      0.847935 22.8664      0.781574 4.84321  0.0875385 4.78164  0.0817266 
1 1 1 24 12 9  o 4.49155  0.0645128 20.1753      0.579525 20.8146      0.901992 19.7258      0.756274 4.56197  0.09886   4.44113  0.0851443 
1 1 1 24 12 10 o 14.074   0.099081  198.107      2.78893  198.275      3.90893  197.932      3.98034  14.0789  0.138822  14.0667  0.141481  
1 1 1 24 12 11 o 20.9524  0.142828  439.145      5.98516  440.942      8.58977  437.449      8.34417  20.9914  0.204602  20.9085  0.19954   
1 1 1 24 12 12 o 18.823   0.129509  354.413      4.8755   353.58       6.95653  355.218      6.83507  18.7979  0.185035  18.8416  0.181382  
1 1 1 24 12 13 o 7.67047  0.0689067 58.8417      1.05709  58.7006      1.49682  58.9821      1.49309  7.6609   0.0976924 7.67924  0.0972162 
1 1 1 24 12 14 o 18.3974  0.126335  338.578      4.64846  342.376      6.64639  334.941      6.50377  18.4971  0.179661  18.2953  0.177744  
1 1 1 24 12 15 o 6.46074  0.0806029 41.7471      1.04151  40.3236      1.41638  43.4229      1.53681  6.34921  0.11154   6.58861  0.116626  
1 1 1 24 12 16 o 15.4147  0.118636  237.694      3.65747  237.215      5.22297  238.154      5.12337  15.3963  0.169618  15.427   0.166052  
1 1 1 24 12 17 o 3.98462  0.103246  15.8819      0.82279  15.2348      1.17806  16.4981      1.14966  3.90195  0.150958  4.06065  0.141561  
1 1 1 24 12 18 o 10.1067  0.0968349 102.176      1.95736  102.188      2.68341  102.161      2.86142  10.106   0.132763  10.1043  0.141594  
1 1 1 24 12 19 o 9.22234  0.0967015 85.0824      1.78363  84.4768      2.52761  85.6831      2.51729  9.18774  0.137553  9.25318  0.136023  
1 1 1 24 12 20 o 4.39139  0.102948  19.2941      0.904169 19.0908      1.27344  19.5006      1.284    4.36708  0.145799  4.41372  0.145456  
1 1 1 24 12 21 o 3.61456  0.112876  13.0745      0.815996 13.3229      1.12099  12.7945      1.19009  3.64761  0.153661  3.57414  0.166486  
1 1 1 24 12 22 f 4.14147  0.108346  17.1653      0.897426 16.282       1.20347  18.2718      1.34692  4.03203  0.149238  4.27094  0.157684  
1 1 1 24 12 23 o 4.99422  0.0936507 24.9605      0.935424 23.3987      1.27781  26.7639      1.3731   4.83367  0.132178  5.16955  0.132807  
1 1 1 24 12 24 f 10.2927  0.0979668 106.049      2.01669  106.192      2.82989  105.9        2.87471  10.2947  0.137444  10.2802  0.139818  
1 1 1 24 12 25 f 5.75687  0.0918899 33.1763      1.058    31.6543      1.42694  35.0346      1.57671  5.62058  0.126939  5.91246  0.133338  
1 1 1 24 12 26 o 5.30154  0.0941795 28.143       0.998594 28.1234      1.41431  28.1625      1.41015  5.29616  0.133522  5.29989  0.133035  
1 1 1 24 12 27 o 5.75415  0.091866  33.1594      1.05722  32.7243      1.47201  33.6229      1.51939  5.71214  0.128849  5.78972  0.131215  
1 1 1 24 12 28 o 6.24904  0.0934784 39.1201      1.1683   42.4492      1.73215  36.3417      1.58244  6.50361  0.133168  6.01786  0.131479  
1 1 1 24 12 29 o 3.86464  0.116792  14.9839      0.902718 15.0522      1.26605  14.9132      1.2875   3.86742  0.163681  3.84899  0.167251  
1 1 1 24 12 30 o 0.596347 0.278319  -0.740192    0.814821 0.663967     1.15085  -2.15162     1.15382  1.00177  0.393549  0.594279 0.290661  
1 1 1 24 12 31 o 5.44975  0.101913  29.802       1.1108   29.299       1.54588  30.3389      1.59719  5.39431  0.143288  5.48861  0.1455    
1 1 1 24 12 32 o 3.38289  0.151034  11.5374      1.02186  12.3767      1.50046  10.8113      1.3955   3.489    0.215028  3.26117  0.213957  
1 1 1 24 12 33 o 3.52977  0.132376  12.5472      0.934514 12.1998      1.29723  12.9221      1.3474   3.46819  0.187019  3.5689   0.188769  
1 1 1 24 12 34 o 3.18355  0.151678  10.2535      0.965751 11.8437      1.34676  8.57021      1.38562  3.40779  0.1976    2.88548  0.240103  
1 1 1 24 12 35 o 1.01978  0.360752  1.02139      0.921922 0.585414     1.23301  1.57415      1.38836  0.983121 0.399501  1.23723  0.442194  
1 1 1 24 12 36 o 0.826531 0.342799  0.302013     0.929136 0.467878     1.27292  0.112867     1.35932  0.963355 0.400495  0.923978 0.399904  
1 1 1 24 12 37 o 0.956852 0.372024  0.757173     1.02255  0.641509     1.37877  0.898555     1.52437  1.01603  0.41924   1.09449  0.444388  
1 1 1 24 12 38 o 2.92532  0.178679  8.79921      1.04539  10.1655      1.50646  7.53015      1.45186  3.10835  0.242325  2.6575   0.273162  
1 1 1 24 12 39 o 1.80571  0.277812  3.55571      1.0033   4.89435      1.3829   2.06812      1.45781  2.08178  0.332144  1.28899  0.453878  
1 1 1 24 12 40 o 1.07884  0.377155  1.37362      1.00506  1.63244      1.4786   1.15133      1.37032  1.16529  0.448531  1.0571   0.424547  
1 1 1 24 12 41 o 1.36617  0.370338  2.41513      1.03717  3.56946      1.47498  1.2861       1.45872  1.5858   0.446298  1.04997  0.431892  
1 1 1 24 12 42 o 0.722217 0.331829  -0.176007    1.10263  0.461113     1.49417  -0.937838    1.63388  0.887428 0.399711  0.765131 0.36759   
1 1 1 24 12 43 f 1.03925  0.395338  1.64404      1.13813  1.85441      1.63766  1.44751      1.58285  1.05191  0.446618  0.989887 0.430024  
1 1 1 24 12 44 o 0.822215 0.360219  0.94859      1.12975  0.974397     1.59684  0.922727     1.59859  0.841831 0.391621  0.836154 0.390081  
1 1 1 24 12 45 o 0.609192 0.297335  -0.528322    1.18945  1.3295       1.66351  -2.4717      1.70139  0.808442 0.383001  0.580889 0.293922  
1 1 1 24 13 0  o 3.46373  0.0880765 12.0214      0.609255 12.0214      0.609255 12.0214      0.609255 3.46547  0.0622025 ?        ?         
1 1 1 24 13 1  o 13.8832  0.0996254 192.775      2.76624  194.608      3.94641  191.004      3.87858  13.9478  0.14147   13.8181  0.140344  
1 1 1 24 13 2  o 15.1295  0.105357  228.943      3.188    229.04       4.61712  228.856      4.40723  15.1312  0.15257   15.1253  0.14569   
1 1 1 24 13 3  o 9.81977  0.0747773 96.4364      1.46859  94.9551      2.10895  97.8309      2.04627  9.74357  0.108223  9.8901   0.103451  
1 1 1 24 13 4  o 11.9291  0.0887407 142.321      2.1172   141.06       3.01041  143.557      2.97819  11.8754  0.12675   11.9801  0.124298  
1 1 1 24 13 5  o 11.6982  0.0876162 136.863      2.0499   136.791      2.93672  136.932      2.8627   11.6944  0.125561  11.7005  0.122332  
1 1 1 24 13 6  o 30.9895  0.222833  961.05       13.811   955.899      19.6723  966.057      19.3941  30.8942  0.318381  31.0588  0.312216  
1 1 1 24 13 7  o 4.00439  0.0658278 16.0362      0.5272   15.2794      0.743149 16.8029      0.748022 3.90863  0.0950653 4.09887  0.0912473 
1 1 1 24 13 8  o 13.733   0.100729  188.625      2.76664  186.663      3.9201   190.572      3.90517  13.6603  0.143485  13.8027  0.141464  
1 1 1 24 13 9  o 12.25    0.088909  150.079      2.17826  151.287      3.03793  148.801      3.12497  12.2985  0.123509  12.1969  0.128105  
1 1 1 24 13 10 o 15.3489  0.105851  235.63       3.24939  233.588      4.56173  237.733      4.6297   15.2809  0.149263  15.4158  0.150161  
1 1 1 24 13 11 o 22.3406  0.150286  499.297      6.71498  506.934      9.63204  492.076      9.36636  22.5062  0.213987  22.1741  0.2112    
1 1 1 24 13 12 o 8.97012  0.0792466 80.4729      1.4217   80.4184      1.95604  80.5339      2.06998  8.96659  0.109074  8.97291  0.115346  
1 1 1 24 13 13 o 11.5504  0.0868808 133.431      2.00701  136.986      2.93116  130.294      2.7538   11.7022  0.12524   11.4129  0.120644  
1 1 1 24 13 14 o 2.0858   0.133736  4.35225      0.557894 4.70609      0.791419 4.00273      0.786565 2.16857  0.182475  1.99984  0.196657  
1 1 1 24 13 15 o 13.0533  0.0997373 170.428      2.6038   173.823      3.73456  167.216      3.63222  13.1811  0.141664  12.9282  0.140476  
1 1 1 24 13 16 o 6.33065  0.0797956 40.0838      1.01032  40.3808      1.41614  39.776       1.44181  6.35356  0.111445  6.30574  0.114325  
1 1 1 24 13 17 o 26.2563  0.194007  690.151      10.1878  697.247      14.5532  683.332      14.2665  26.376   0.27588   26.112   0.273179  
1 1 1 24 13 18 o 8.95228  0.0939362 80.1673      1.68189  79.25        2.3953   81.0594      2.36214  8.89951  0.134575  9.00067  0.13122   
1 1 1 24 13 19 o 9.83567  0.0977644 96.78        1.92316  96.2973      2.69536  97.2805      2.74482  9.80912  0.13739   9.85895  0.139205  
1 1 1 24 13 20 o 8.23973  0.0859871 67.9188      1.41702  67.3796      1.92959  68.5499      2.08767  8.20562  0.117578  8.27614  0.126126  
1 1 1 24 13 21 o 2.88579  0.13965   8.33752      0.806001 8.67173      1.10572  7.95861      1.17737  2.94165  0.187942  2.81739  0.208946  
1 1 1 24 13 22 o 2.97536  0.139019  8.86508      0.827262 8.77319      1.14023  8.96721      1.20207  2.95796  0.192739  2.99014  0.201006  
1 1 1 24 13 23 o 3.255    0.125203  10.6102      0.815073 10.7865      1.09427  10.3905      1.22159  3.28011  0.166803  3.21813  0.189798  
1 1 1 24 13 24 o 5.9539   0.0940528 35.4835      1.11996  37.4808      1.55289  33.3186      1.61677  6.11672  0.126938  5.76597  0.1402    
1 1 1 24 13 25 o 2.67665  0.145859  7.18464      0.780828 7.83836      1.07099  6.4429       1.14083  2.79292  0.191734  2.52979  0.225479  
1 1 1 24 13 26 o 2.82331  0.143773  7.99632      0.811831 7.20278      1.14201  8.80705      1.1543   2.67436  0.21351   2.95895  0.195052  
1 1 1 24 13 27 o 3.02676  0.13089   9.19016      0.792348 8.98286      1.12501  9.39421      1.11614  2.98739  0.188293  3.05561  0.182638  
1 1 1 24 13 28 o 6.16934  0.0907571 38.1265      1.11982  37.2488      1.55406  39.0744      1.61503  6.09286  0.127531  6.24008  0.129408  
1 1 1 24 13 29 o 3.8822   0.124968  15.1305      0.970301 15.3982      1.36522  14.8574      1.37931  3.90917  0.174618  3.83906  0.179642  
1 1 1 24 13 30 o 1.8164   0.225425  3.34901      0.818923 4.18768      1.16546  2.53111      1.15094  2.02179  0.288226  1.52957  0.377933  
1 1 1 24 13 31 o 3.55569  0.139232  12.7282      0.990134 12.6414      1.34981  12.8293      1.45683  3.53294  0.191032  3.55574  0.204856  
1 1 1 24 13 32 f 1.83454  0.239928  3.4379       0.880314 1.95277      1.24632  4.91652      1.24359  1.34851  0.41865   2.18432  0.284663  
1 1 1 24 13 33 f 2.20726  0.195111  4.95227      0.861324 4.84674      1.20926  5.06094      1.22713  2.16508  0.279263  2.21293  0.277264  
1 1 1 24 13 34 o 1.28737  0.339874  1.82152      0.888072 2.31609      1.22403  1.27181      1.29045  1.43697  0.407258  1.15644  0.425019  
1 1 1 24 13 35 o 2.75548  0.176999  7.73681      0.975433 9.21962      1.33227  6.02353      1.43207  2.99153  0.222675  2.38979  0.299622  
1 1 1 24 13 36 o 2.31659  0.211599  5.5395       0.980375 4.77116      1.3192   6.48731      1.46518  2.1116   0.31237   2.47023  0.296568  
1 1 1 24 13 37 o 0.741086 0.328283  -0.170329    0.966958 -0.797551    1.33492  0.522065     1.40256  0.781247 0.361365  0.998547 0.41809   
1 1 1 24 13 38 o 0.755016 0.331953  -0.0536143   0.966419 0.612236     1.37607  -0.70168     1.35757  0.994323 0.415078  0.791027 0.365326  
1 1 1 24 13 39 o 1.21142  0.371294  1.76227      0.984559 1.22513      1.34381  2.38474      1.44662  1.08528  0.425549  1.36303  0.453438  
1 1 1 24 13 40 o 1.25658  0.375581  1.96852      1.01593  0.510764     1.45313  3.36235      1.42091  0.949669 0.412281  1.59623  0.433807  
1 1 1 24 13 41 o 0.839866 0.354479  0.52648      1.02169  -0.0248631   1.43596  1.09174      1.45398  0.841238 0.383468  1.01143  0.424685  
1 1 1 24 13 42 o 1.81696  0.338366  4.2359       1.18374  6.36079      1.69738  2.22391      1.65167  2.12331  0.414487  1.16264  0.466445  
1 1 1 24 13 43 o 0.821551 0.360545  0.620164     1.13579  -0.598067    1.62037  1.79685      1.5925   0.756761 0.364175  1.03594  0.440142  
1 1 1 24 13 44 o 1.36688  0.388344  3.15834      1.11165  2.21127      1.58382  4.07793      1.56067  0.986931 0.429469  1.35411  0.470304  
1 1 1 24 13 45 o 0.645324 0.311167  0.0180826    1.19757  -0.267281    1.72196  0.285408     1.66665  0.671014 0.333318  0.701119 0.344731  
1 1 1 24 14 0  o 7.6637   0.090043  58.7603      1.3797   58.7603      1.3797   58.7603      1.3797   7.66461  0.0636526 ?        ?         
1 1 1 24 14 1  o 30.959   0.210056  959.104      13.0062  965.686      18.5101  952.684      18.2792  31.0541  0.29803   30.8446  0.296312  
1 1 1 24 14 2  o 3.67316  0.0572712 13.4928      0.420732 14.0353      0.615185 13.016       0.576689 3.74617  0.0821085 3.6076   0.079927  
1 1 1 24 14 3  o 17.2558  0.124913  297.83       4.31092  293.179      6.15399  302.311      6.04072  17.1183  0.179749  17.3832  0.173752  
1 1 1 24 14 4  o 12.2819  0.0920743 150.865      2.2617   149.323      3.17161  152.46       3.22615  12.2182  0.12979   12.3459  0.130656  
1 1 1 24 14 5  o 11.362   0.0892776 129.11       2.02875  130.245      2.89876  128.021      2.8403   11.4111  0.127015  11.3133  0.125529  
1 1 1 24 14 6  o 9.209    0.0778695 84.8132      1.4342   83.703       2.04117  85.8958      2.0156   9.14808  0.111563  9.26717  0.10875   
1 1 1 24 14 7  o 0.912654 0.226239  0.866934     0.411418 0.921723     0.579653 0.811314     0.584036 0.953983 0.283406  0.907857 0.287448  
1 1 1 24 14 8  o 5.68016  0.0605023 32.266       0.687326 32.6382      1.03339  31.9707      0.920438 5.71262  0.0904477 5.65398  0.0813974 
1 1 1 24 14 9  o 16.1165  0.112989  259.791      3.64197  260.857      5.17517  258.746      5.12622  16.1478  0.160244  16.0824  0.159374  
1 1 1 24 14 10 o 24.0082  0.16105   576.644      7.73306  580.301      10.9958  573.065      10.8775  24.0787  0.22833   23.9282  0.227295  
1 1 1 24 14 11 o 12.7421  0.091017  162.387      2.3195   165.373      3.33097  159.576      3.23182  12.8577  0.129532  12.6304  0.127938  
1 1 1 24 14 12 o 13.7809  0.09757   189.95       2.6892   194.646      3.88144  185.615      3.72934  13.9488  0.139132  13.6214  0.136892  
1 1 1 24 14 13 o 8.12173  0.0708065 65.9696      1.15014  65.9656      1.62835  65.9736      1.62475  8.12105  0.100255  8.12155  0.100027  
1 1 1 24 14 14 o 4.88442  0.07575   23.8606      0.739989 24.9838      1.03488  22.6855      1.05853  4.99778  0.103534  4.76227  0.111137  
1 1 1 24 14 15 o 9.65124  0.088759  93.1645      1.71327  95.6014      2.44676  90.8202      2.39978  9.7757   0.125145  9.52809  0.125932  
1 1 1 24 14 16 o 8.32838  0.0827082 69.375       1.37765  69.6229      1.90387  69.1024      1.99598  8.34254  0.114106  8.31113  0.120079  
1 1 1 24 14 17 o 11.8665  0.101364  140.858      2.40566  143.633      3.54277  138.484      3.27699  11.9806  0.147854  11.7644  0.139276  
1 1 1 24 14 18 o 5.00764  0.0918449 25.0843      0.919852 24.5526      1.25683  25.6976      1.34988  4.95357  0.126861  5.06759  0.133187  
1 1 1 24 14 19 o 9.39286  0.0935498 88.2614      1.7574   89.2005      2.48105  87.3158      2.48966  9.44082  0.1314    9.34044  0.133273  
1 1 1 24 14 20 o 4.12429  0.102668  17.0196      0.846868 16.5828      1.15474  17.5279      1.24573  4.06997  0.141861  4.18412  0.148864  
1 1 1 24 14 21 o 4.95964  0.0980397 24.6131      0.972483 26.4998      1.39205  22.8146      1.35914  5.14476  0.135288  4.77334  0.142367  
1 1 1 24 14 22 o 8.70469  0.0883088 75.8173      1.5374   75.8835      2.09067  75.7395      2.26865  8.7062   0.120068  8.69706  0.130426  
1 1 1 24 14 23 o 3.38851  0.121713  11.4992      0.824849 11.2845      1.12162  11.7521      1.21727  3.35455  0.167179  3.42271  0.177822  
1 1 1 24 14 24 f 8.54012  0.0884306 72.9995      1.51042  72.6162      2.1578   73.3677      2.11495  8.51359  0.126727  8.55792  0.123567  
1 1 1 24 14 25 o 4.7361   0.0989047 22.4612      0.936846 22.7805      1.29459  22.1101      1.35744  4.76676  0.135794  4.6953   0.144553  
1 1 1 24 14 26 o 5.47085  0.0916967 29.971       1.00332  30.0336      1.37767  29.9002      1.46408  5.47321  0.125856  5.46008  0.134071  
1 1 1 24 14 27 o 3.78043  0.112371  14.3265      0.849619 14.1116      1.17155  14.565       1.23397  3.74772  0.156301  3.80678  0.162075  
1 1 1 24 14 28 o 2.23482  0.173996  5.02751      0.7777   4.011        1.09072  6.07874      1.10918  1.98653  0.274528  2.4519   0.226188  
1 1 1 24 14 29 o 3.72215  0.127049  13.9139      0.945794 13.968       1.34898  13.8617      1.32641  3.72126  0.181254  3.70749  0.178883  
1 1 1 24 14 30 o 2.56255  0.160936  6.61889      0.824811 6.29781      1.1692   6.93697      1.16374  2.4885   0.23492   2.61396  0.222601  
1 1 1 24 14 31 o 2.71574  0.177029  7.4587       0.96153  6.35553      1.32836  8.6729       1.3936   2.48905  0.26684   2.9149   0.239048  
1 1 1 24 14 32 o 2.05841  0.212445  4.31182      0.874597 3.68011      1.26099  4.8974       1.21408  1.84664  0.354057  2.18019  0.278434  
1 1 1 24 14 33 o 2.12941  0.201502  4.62216      0.85816  5.66383      1.20054  3.53381      1.22714  2.34366  0.256125  1.80074  0.353328  
1 1 1 24 14 34 o 2.12446  0.216839  4.63153      0.921331 4.99721      1.30487  4.26797      1.30106  2.18154  0.29907   2.0078   0.324002  
1 1 1 24 14 35 o 2.37128  0.197466  5.7594       0.936494 5.50266      1.28548  6.04977      1.36709  2.28969  0.280709  2.39912  0.284916  
1 1 1 24 14 36 o 0.843962 0.348868  0.351789     0.957332 0.0545462    1.32012  0.681501     1.39035  0.898799 0.39161   1.02818  0.422073  
1 1 1 24 14 37 o 1.36424  0.350992  2.12312      0.963016 1.79766      1.31829  2.49552      1.41017  1.26055  0.432778  1.44594  0.4446    
1 1 1 24 14 38 o 1.32333  0.360786  2.05152      0.98089  1.41572      1.38464  2.69203      1.38976  1.15318  0.43682   1.47695  0.43884   
1 1 1 24 14 39 o 0.970148 0.364791  0.968599     0.960509 1.63021      1.32554  0.23714      1.39375  1.17363  0.430815  0.911293 0.399665  
1 1 1 24 14 40 o 0.518654 0.256871  -1.96596     0.99602  -0.841436    1.43241  -3.01867     1.38591  0.764798 0.359855  0.582231 0.290563  
1 1 1 24 14 41 o 2.54603  0.210712  7.02735      1.07296  6.04478      1.48783  8.09208      1.54879  2.23684  0.332574  2.63887  0.293457  
1 1 1 24 14 42 o 1.14762  0.40726   1.99097      1.17579  1.41337      1.68668  2.53701      1.63994  1.014    0.44222   1.20561  0.470641  
1 1 1 24 14 43 o 0.690664 0.32401   -0.237823    1.13901  -0.350528    1.62896  -0.130006    1.59324  0.770988 0.369585  0.785064 0.373295  
1 1 1 24 14 44 o 0.708322 0.326967  0.282295     1.08569  0.51874      1.57016  0.0656898    1.50285  0.784307 0.371819  0.73704  0.353717  
1 1 1 24 15 0  f 16.607   0.159726  275.92       5.30402  275.92       5.30402  275.92       5.30402  16.6089  0.112918  ?        ?         
1 1 1 24 15 1  o 6.49769  0.0588273 42.2221      0.764483 43.3098      1.08584  41.153       1.07651  6.58069  0.0825018 6.41472  0.0839093 
1 1 1 24 15 2  o 24.0706  0.162719  579.62       7.83348  576.048      11.1385  583.115      11.0189  23.9914  0.232135  24.1384  0.228245  
1 1 1 24 15 3  f 27.6426  0.194553  764.537      10.7559  761.394      14.975   767.887      15.4588  27.5781  0.271502  27.6946  0.279094  
1 1 1 24 15 4  o 14.0139  0.103719  196.42       2.907    197.796      4.13733  195.078      4.08541  14.0617  0.147113  13.9648  0.146275  
1 1 1 24 15 5  o 10.8304  0.0817573 117.309      1.77093  116.258      2.47914  118.404      2.53059  10.7812  0.114975  10.8803  0.116293  
1 1 1 24 15 6  o 22.371   0.162231  500.657      7.25854  497.077      10.0763  504.519      10.465   22.2866  0.226062  22.4522  0.233051  
1 1 1 24 15 7  o 7.47872  0.0666486 55.9349      0.996892 56.6321      1.42979  55.2754      1.39066  7.52491  0.0950037 7.43424  0.0935309 
1 1 1 24 15 8  o 9.55154  0.0772794 91.2402      1.47627  90.7484      2.13202  91.6931      2.04615  9.52526  0.111914  9.57479  0.106851  
1 1 1 24 15 9  o 18.2438  0.125021  332.924      4.56172  333.734      6.40235  332.089      6.50128  18.2637  0.175276  18.2184  0.178426  
1 1 1 24 15 10 o 11.4996  0.0854816 132.258      1.96601  130.001      2.68752  134.857      2.88353  11.4003  0.11787   11.6112  0.124171  
1 1 1 24 15 11 o 5.01392  0.0628438 25.1414      0.630188 26.2521      0.907004 24.1048      0.876233 5.12328  0.0885179 4.90927  0.0892428 
1 1 1 24 15 12 o 2.60047  0.0971258 6.76377      0.505145 6.88819      0.704539 6.63215      0.724652 2.62404  0.134247  2.57476  0.140722  
1 1 1 24 15 13 o 7.4992   0.0706632 56.244       1.05983  55.8092      1.47163  56.7126      1.5276   7.46976  0.0985059 7.52993  0.101435  
1 1 1 24 15 14 o 5.7558   0.0758741 33.1338      0.873432 33.0894      1.21909  33.1806      1.25201  5.75157  0.105979  5.75945  0.108692  
1 1 1 24 15 15 o 8.535    0.0854571 72.8602      1.45875  75.0085      2.16279  71.0672      1.97584  8.65897  0.124887  8.42862  0.11721   
1 1 1 24 15 16 o 7.47021  0.0792374 55.8142      1.18384  54.4533      1.65759  57.2311      1.69133  7.37789  0.112335  7.56374  0.111805  
1 1 1 24 15 17 o 21.5137  0.165637  463.264      7.12696  465.738      10.4079  461.079      9.77951  21.56    0.24137   21.4542  0.227916  
1 1 1 24 15 18 o 5.81571  0.0841667 33.8324      0.978979 33.5216      1.36489  34.1617      1.40495  5.78811  0.117905  5.84304  0.120224  
1 1 1 24 15 19 o 8.72725  0.0902166 76.1955      1.57469  75.8845      2.19917  76.5228      2.25579  8.70773  0.126277  8.74413  0.128989  
1 1 1 24 15 20 o 8.62474  0.0921615 74.4228      1.58974  75.5422      2.2823   73.368       2.21564  8.68715  0.13136   8.56135  0.129398  
1 1 1 24 15 21 o 5.86516  0.0860701 34.4176      1.00963  35.299       1.37082  33.3726      1.4926   5.93855  0.115417  5.77356  0.129262  
1 1 1 24 15 22 f 7.18414  0.0849674 51.6434      1.22084  51.3695      1.68026  51.9498      1.77683  7.16306  0.117287  7.20296  0.12334   
1 1 1 24 15 23 f 2.43536  0.15774   5.94664      0.768304 5.97491      1.05288  5.91444      1.12367  2.43836  0.215899  2.42509  0.231675  
1 1 1 24 15 24 o 4.57801  0.0967153 20.9823      0.885527 20.8627      1.21131  21.1196      1.29781  4.5626   0.132743  4.58994  0.141375  
1 1 1 24 15 25 o 3.93873  0.107805  15.5398      0.84923  16.1722      1.19347  14.8912      1.20865  4.01498  0.148628  3.85198  0.156887  
1 1 1 24 15 26 o 3.14993  0.127032  9.94962      0.800286 10.7278      1.09932  9.07224      1.16729  3.26733  0.168229  3.0022   0.194406  
1 1 1 24 15 27 o 4.89221  0.0982169 23.9801      0.960996 26.0632      1.33827  21.7625      1.38084  5.09643  0.131295  4.65479  0.148325  
1 1 1 24 15 28 o 1.85686  0.20693   3.48193      0.768478 4.51724      1.08324  2.43292      1.09038  2.10946  0.256757  1.50747  0.365025  
1 1 1 24 15 29 o 2.43632  0.182078  5.99067      0.887204 5.96796      1.26413  6.01271      1.24547  2.42018  0.261164  2.43007  0.256262  
1 1 1 24 15 30 o 1.7258   0.229912  3.02857      0.793567 4.80637      1.12111  1.24341      1.12344  2.16911  0.258427  1.13928  0.398703  
1 1 1 24 15 31 o 2.26062  0.211655  5.19257      0.956943 5.43536      1.31341  4.91786      1.39711  2.29767  0.285814  2.17744  0.320814  
1 1 1 24 15 32 o 4.65577  0.112592  21.7856      1.0484   19.4094      1.43833  24.4792      1.53138  4.38207  0.164115  4.92389  0.155505  
1 1 1 24 15 33 o 0.774759 0.323489  0.187416     0.836063 0.679039     1.17999  -0.308198    1.18477  0.997079 0.396339  0.811703 0.361047  
1 1 1 24 15 34 o 2.27925  0.217777  5.33659      0.992736 6.41666      1.3991   4.24143      1.40883  2.47677  0.282445  1.95635  0.373445  
1 1 1 24 15 35 o 2.496    0.187779  6.37175      0.937391 5.48703      1.27806  7.40179      1.37903  2.28511  0.27965   2.66325  0.2589    
1 1 1 24 15 36 o 0.684576 0.313763  -0.55166     0.97913  0.740286     1.37624  -1.87585     1.39331  1.03512  0.421585  0.690695 0.333645  
1 1 1 24 15 37 o 1.27752  0.361102  1.87722      0.963556 1.32453      1.31859  2.51053      1.41149  1.1388   0.42757   1.44333  0.445014  
1 1 1 24 15 38 o 1.92195  0.255824  3.95304      0.983361 3.91707      1.36846  3.99145      1.41403  1.81285  0.388663  1.82306  0.398782  
1 1 1 24 15 39 o 1.05984  0.363676  1.29424      0.930806 0.36404      1.28057  2.3362       1.35532  0.902511 0.389347  1.34878  0.438897  
1 1 1 24 15 40 f 0.884684 0.365936  0.638806     1.05436  0.160166     1.48464  1.12586      1.49763  0.891592 0.400153  1.0448   0.434386  
1 1 1 24 15 41 o 1.37771  0.353777  2.4354       0.979754 1.77822      1.36766  3.12821      1.40423  1.13491  0.432891  1.46941  0.442041  
1 1 1 24 15 42 o 0.656887 0.314166  -0.720871    1.1601   -1.23788     1.55201  -0.0662312   1.74641  0.705071 0.343321  0.837433 0.394997  
1 1 1 24 15 43 o 0.66062  0.311743  -0.285121    1.09022  -0.673993    1.58133  0.0671687    1.50511  0.718755 0.348988  0.77198  0.365058  
1 1 1 24 15 44 o 0.567594 0.278213  -1.02351     1.07135  -0.798862    1.557    -1.22552     1.47644  0.680866 0.334266  0.639107 0.315608  
1 1 1 24 16 0  o 2.14888  0.123357  4.66371      0.526163 4.66371      0.526163 4.66371      0.526163 2.15429  0.0866706 ?        ?         
1 1 1 24 16 1  o 9.39186  0.0749065 88.2143      1.40702  92.4683      2.05756  84.4778      1.92838  9.61521  0.106995  9.19042  0.104912  
1 1 1 24 16 2  o 8.44473  0.0742308 71.3192      1.25372  70.3224      1.72754  72.4284      1.8223   8.38517  0.103012  8.50975  0.107071  
1 1 1 24 16 3  o 8.56512  0.0693923 73.3664      1.18871  74.0252      1.68767  72.7179      1.67458  8.60316  0.0980842 8.52685  0.0981942 
1 1 1 24 16 4  o 15.0518  0.10799   226.597      3.2509   225.216      4.56797  228.013      4.62753  15.0046  0.152219  15.0974  0.153256  
1 1 1 24 16 5  o 11.5741  0.0863066 133.975      1.99784  132.763      2.80069  135.231      2.85073  11.521   0.121548  11.6276  0.122585  
1 1 1 24 16 6  o 2.16203  0.099529  4.67508      0.43037  4.72559      0.600815 4.62184      0.616768 2.17352  0.138212  2.14951  0.143467  
1 1 1 24 16 7  o 25.8826  0.182712  670.253      9.45812  664.229      13.4234  676.193      13.3287  25.7588  0.260559  25.9902  0.256418  
1 1 1 24 16 8  o 17.4725  0.130555  305.374      4.56224  305.374      6.44567  305.373      6.4583   17.4699  0.184479  17.4699  0.184841  
1 1 1 24 16 9  o 10.2476  0.0772932 105.025      1.58414  104.591      2.21654  105.478      2.26488  10.2259  0.108379  10.2691  0.110276  
1 1 1 24 16 10 o 7.37819  0.0668255 54.4425      0.986102 54.4369      1.37008  54.4485      1.42039  7.37751  0.0928555 7.37824  0.0962556 
1 1 1 24 16 11 o 14.8733  0.103845  221.264      3.08902  219.446      4.33959  223.131      4.39807  14.8104  0.146505  14.9342  0.147248  
1 1 1 24 16 12 o 7.89609  0.0725117 62.3554      1.14512  62.3369      1.55191  62.3774      1.69664  7.89455  0.0982899 7.89695  0.107424  
1 1 1 24 16 13 o 7.92501  0.0746006 62.8137      1.18242  62.7921      1.7154   62.8332      1.6321   7.92308  0.108253  7.92578  0.102961  
1 1 1 24 16 14 o 15.188   0.1121    230.746      3.40514  231.184      4.82501  230.312      4.80624  15.1999  0.158718  15.1712  0.1584    
1 1 1 24 16 15 o 11.8766  0.0959075 141.089      2.2781   140.734      3.28638  141.416      3.16073  11.86    0.138549  11.8889  0.132928  
1 1 1 24 16 16 o 13.7729  0.109502  189.763      3.01631  188.147      4.1896   191.502      4.34611  13.7117  0.152774  13.8331  0.157091  
1 1 1 24 16 17 o 19.4842  0.151544  379.956      5.90543  378.758      8.55812  381.044      8.15923  19.4443  0.220068  19.5045  0.209162  
1 1 1 24 16 18 o 2.27308  0.166188  5.17336      0.755516 5.17172      1.10043  5.17481      1.03912  2.27109  0.24227   2.2721   0.22867   
1 1 1 24 16 19 o 5.59353  0.0907383 31.3013      1.01509  29.834       1.37835  33.0403      1.50055  5.45975  0.126228  5.74547  0.130585  
1 1 1 24 16 20 o 4.75004  0.0972851 22.5761      0.924216 22.6307      1.27861  22.5163      1.33746  4.75449  0.134463  4.74219  0.141017  
1 1 1 24 16 21 o 6.41389  0.0828058 41.1588      1.06221  41.1579      1.45026  41.16        1.56014  6.41237  0.113083  6.41206  0.121657  
1 1 1 24 16 22 o 4.10848  0.104706  16.8969      0.860363 16.933       1.17013  16.8544      1.2694   4.11108  0.142314  4.10082  0.154773  
1 1 1 24 16 23 o 8.34742  0.0861403 69.7368      1.4381   72.1074      2.0875   67.5954      1.984    8.48448  0.123019  8.21499  0.120755  
1 1 1 24 16 24 o 5.35759  0.0888114 28.7338      0.951631 29.3389      1.31101  28.0599      1.38353  5.41128  0.121137  5.29117  0.13074   
1 1 1 24 16 25 o 5.67759  0.0917417 32.2764      1.04174  33.7958      1.45113  30.6606      1.49641  5.80644  0.124959  5.52941  0.135314  
1 1 1 24 16 26 o 3.60919  0.11233   13.0561      0.810842 12.6461      1.12707  13.4961      1.16741  3.54798  0.158832  3.66524  0.159254  
1 1 1 24 16 27 o 5.84136  0.0888329 34.1774      1.03781  34.4866      1.45141  33.8539      1.48452  5.86327  0.123771  5.80864  0.127785  
1 1 1 24 16 28 o 7.45636  0.0919004 55.7117      1.37048  56.3498      1.9328   55.0665      1.94356  7.49149  0.128999  7.40517  0.13123   
1 1 1 24 16 29 o 4.46386  0.109574  19.9955      0.978247 18.8482      1.39843  21.0949      1.36894  4.3252   0.16166   4.57821  0.149506  
1 1 1 24 16 30 o 2.7535   0.156446  7.64387      0.861552 6.85093      1.18209  8.54236      1.25831  2.59474  0.227787  2.89972  0.216971  
1 1 1 24 16 31 o 3.08303  0.155835  9.58793      0.960886 11.049       1.34063  8.04443      1.37794  3.2994   0.203162  2.80576  0.245556  
1 1 1 24 16 32 o 5.39273  0.107705  29.2174      1.16165  29.1436      1.64274  29.2911      1.6429   5.37298  0.152871  5.38668  0.152497  
1 1 1 24 16 33 o 3.31016  0.141104  11.0678      0.934154 12.2113      1.32305  9.93098      1.31914  3.46257  0.191051  3.11615  0.211663  
1 1 1 24 16 34 o 1.5077   0.318801  2.48864      0.93169  2.35679      1.24823  2.6545       1.4      1.44185  0.412107  1.52151  0.43695   
1 1 1 24 16 35 o 1.22038  0.358289  1.65766      0.931226 1.85412      1.27561  1.4335       1.36259  1.29001  0.425795  1.19122  0.436841  
1 1 1 24 16 36 o 1.97202  0.249081  4.07242      0.982389 3.74275      1.41405  4.37998      1.36582  1.79776  0.403262  1.97511  0.359013  
1 1 1 24 16 37 o 1.01626  0.367302  1.05031      0.960263 1.65936      1.32781  0.382512     1.39039  1.21917  0.432775  0.961919 0.410054  
1 1 1 24 16 38 o 0.780967 0.335089  0.174471     0.939149 1.16446      1.28808  -0.949103    1.37223  1.07166  0.417361  0.755865 0.354785  
1 1 1 24 16 39 o 0.672979 0.307575  -0.380921    0.933485 -0.761498    1.26307  0.077163     1.38573  0.734063 0.343798  0.878554 0.390634  
1 1 1 24 16 40 o 1.89736  0.286068  4.10012      1.08555  4.06232      1.56398  4.13527      1.50795  1.70661  0.451253  1.74417  0.4336    
1 1 1 24 16 41 o 0.746445 0.328189  0.186087     0.944648 -1.51197     1.29782  2.09936      1.37761  0.642929 0.313221  1.19733  0.439227  
1 1 1 24 16 42 o 0.699887 0.32817   -0.304983    1.16304  0.301875     1.62589  -0.940904    1.66437  0.85193  0.395875  0.74434  0.360435  
1 1 1 24 16 43 o 0.539333 0.267784  -1.58378     1.105    -1.43002     1.64508  -1.71019     1.49159  0.666621 0.330146  0.622322 0.309281  
1 1 1 24 16 44 o 0.621999 0.299438  -0.42484     1.09806  -0.968548    1.632    0.0248936    1.48428  0.669933 0.331069  0.723227 0.348163  
1 1 1 24 17 0  o 4.97904  0.0787541 24.8105      0.783796 24.8105      0.783796 24.8105      0.783796 4.98003  0.0556607 ?        ?         
1 1 1 24 17 1  o 33.6308  0.2235    1131.87      15.033   1122.61      21.0922  1141.43      21.4316  33.4801  0.314996  33.7593  0.317419  
1 1 1 24 17 2  o 16.4769  0.111949  271.538      3.68913  269.136      5.1694   274.03       5.26638  16.4023  0.157582  16.5507  0.159099  
1 1 1 24 17 3  o 21.1692  0.146727  448.28       6.21219  444.775      8.82155  451.729      8.74963  21.0826  0.209214  21.247   0.205902  
1 1 1 24 17 4  o 12.2615  0.0904127 150.363      2.2172   147.633      3.07998  153.301      3.19432  12.1489  0.126759  12.3799  0.129013  
1 1 1 24 17 5  o 8.534    0.0746541 72.8353      1.2742   73.2225      1.89404  72.5152      1.72217  8.55621  0.110682  8.51491  0.101127  
1 1 1 24 17 6  o 17.4928  0.130503  306.082      4.56573  308.207      6.49604  304.007      6.41849  17.551   0.185062  17.431   0.184111  
1 1 1 24 17 7  o 2.13004  0.107513  4.53797      0.458017 5.02619      0.657106 4.07664      0.638751 2.24151  0.146577  2.01864  0.158213  
1 1 1 24 17 8  o 6.63033  0.0702222 43.9653      0.931193 42.6351      1.31953  45.2848      1.3143   6.52895  0.101052  6.72881  0.0976617 
1 1 1 24 17 9  f 11.398   0.0990785 129.94       2.2586   135.209      3.43456  125.925      2.99803  11.6255  0.147717  11.2196  0.133606  
1 1 1 24 17 10 o 3.36264  0.0811127 11.3089      0.545506 11.1713      0.710397 11.5067      0.851576 3.34195  0.106285  3.3916   0.125542  
1 1 1 24 17 11 o 5.80365  0.0727728 33.6862      0.844696 34.0768      1.18529  33.2831      1.2041   5.83689  0.101534  5.76848  0.104369  
1 1 1 24 17 12 o 4.04813  0.0782499 16.3896      0.633532 16.0293      0.929717 16.7019      0.865613 4.00306  0.116126  4.08629  0.105917  
1 1 1 24 17 13 o 8.6863   0.0772875 75.4627      1.34269  75.3145      1.87024  75.6204      1.9288   8.67717  0.107768  8.6947   0.110918  
1 1 1 24 17 14 o 9.86414  0.0860569 97.3203      1.69775  94.1578      2.34177  100.824      2.46494  9.7016   0.12069   10.0391  0.122767  
1 1 1 24 17 15 o 8.00211  0.0869683 64.048       1.39186  66.2478      2.0801   62.2645      1.87293  8.13731  0.127813  7.88914  0.118703  
1 1 1 24 17 16 o 7.31933  0.0870705 53.5862      1.27459  53.1732      1.83168  53.9739      1.77477  7.29006  0.125628  7.34489  0.120816  
1 1 1 24 17 17 o 9.91183  0.0977462 98.2831      1.93769  96.927       2.77149  99.5799      2.71016  9.84109  0.140812  9.97514  0.135846  
1 1 1 24 17 18 o 2.59594  0.14272   6.74562      0.740988 6.74735      1.03473  6.7438       1.06162  2.59504  0.199367  2.59422  0.204612  
1 1 1 24 17 19 o 4.48147  0.10621   20.0965      0.951956 18.5302      1.2774   22.0529      1.42763  4.30197  0.148467  4.69297  0.152103  
1 1 1 24 17 20 o 8.63613  0.0855254 74.619       1.47722  74.6539      2.14165  74.5873      2.04024  8.63577  0.123999  8.63233  0.118174  
1 1 1 24 17 21 o 4.09601  0.099604  16.7907      0.815957 17.4332      1.12839  16.0864      1.18131  4.17221  0.135226  4.00725  0.147396  
1 1 1 24 17 22 o 5.5195   0.0910133 30.491       1.0047   30.1611      1.37755  30.8659      1.46851  5.48748  0.125518  5.55073  0.132281  
1 1 1 24 17 23 o 3.7387   0.104489  13.9958      0.781309 14.4958      1.0913   13.4699      1.1191   3.80273  0.143489  3.66511  0.152669  
1 1 1 24 17 24 o 3.2226   0.120557  10.4063      0.777014 11.4466      1.09704  9.35903      1.1007   3.37704  0.162426  3.0523   0.180306  
1 1 1 24 17 25 o 3.0226   0.127623  9.16023      0.771504 8.96646      1.03365  9.40396      1.15927  2.9871   0.173019  3.05762  0.18957   
1 1 1 24 17 26 o 3.44633  0.115465  11.9076      0.795859 12.334       1.11519  11.465       1.13613  3.50348  0.159155  3.37685  0.168223  
1 1 1 24 17 27 o 6.32858  0.0891284 40.1197      1.12811  40.1504      1.5624   40.0862      1.63057  6.3261   0.123488  6.32009  0.128999  
1 1 1 24 17 28 o 2.75505  0.150065  7.63476      0.826876 7.91789      1.15332  7.3353       1.18613  2.79855  0.206057  2.69153  0.220344  
1 1 1 24 17 29 o 1.27132  0.304783  1.72613      0.766062 1.45791      1.08841  1.98945      1.07841  1.19754  0.393312  1.36042  0.381208  
1 1 1 24 17 30 o 1.59395  0.292452  2.69352      0.897507 1.82713      1.215    3.73404      1.33152  1.31239  0.414503  1.8583   0.371395  
1 1 1 24 17 31 o 2.71674  0.162239  7.45396      0.881523 7.41725      1.23092  7.4926       1.26302  2.69697  0.228205  2.7095   0.233073  
1 1 1 24 17 32 o 1.78586  0.24696   3.27424      0.882075 3.46959      1.24156  3.07515      1.25341  1.78466  0.360461  1.67048  0.383119  
1 1 1 24 17 33 o 0.846792 0.339043  0.436414     0.870131 -0.722264    1.23634  1.57365      1.22485  0.769223 0.352565  1.22488  0.417236  
1 1 1 24 17 34 o 3.14056  0.154088  10.0044      0.967848 11.6509      1.32888  8.14446      1.41242  3.37391  0.196935  2.80038  0.252184  
1 1 1 24 17 35 o 2.68377  0.183836  7.37525      0.986748 8.07265      1.31631  6.48061      1.49088  2.78675  0.236173  2.46722  0.302137  
1 1 1 24 17 36 o 1.45657  0.34015   2.38966      0.973917 1.83491      1.39381  2.91893      1.36142  1.28033  0.444474  1.57411  0.423218  
1 1 1 24 17 37 o 0.655553 0.305213  -0.696855    0.972437 0.0855956    1.33476  -1.58196     1.41962  0.896442 0.392148  0.719561 0.344954  
1 1 1 24 17 38 o 0.787833 0.335987  0.226764     0.934169 0.330995     1.28222  0.108851     1.36378  0.903521 0.389687  0.888336 0.392152  
1 1 1 24 17 39 o 0.832724 0.345467  0.464445     0.94408  -0.263331    1.28116  1.32923      1.39655  0.799396 0.363807  1.09516  0.432482  
1 1 1 24 17 40 o 1.33771  0.365272  2.30402      1.00448  0.906987     1.36664  3.94547      1.48138  0.971535 0.41001   1.68565  0.436178  
1 1 1 24 17 41 o 0.65533  0.308567  -0.592668    1.05685  -0.55369     1.44358  -0.63769     1.55147  0.760541 0.358844  0.775411 0.368545  
1 1 1 24 17 42 o 0.609636 0.295159  -1.01731     1.11441  -0.837454    1.59023  -1.19087     1.56217  0.736293 0.355804  0.703972 0.343082  
1 1 1 24 17 43 o 0.764438 0.344573  0.586925     1.11246  0.668462     1.61312  0.512978     1.5362   0.814201 0.382744  0.793439 0.373137  
1 1 1 24 17 44 o 0.539086 0.266554  -1.16251     1.06162  -0.195999    1.53827  -2.04151     1.46698  0.691001 0.337422  0.569445 0.286539  
1 1 1 24 18 0  o 13.1725  0.132665  173.591      3.49428  173.591      3.49428  173.591      3.49428  13.174   0.0937876 ?        ?         
1 1 1 24 18 1  o 16.7148  0.113703  279.439      3.80106  276.786      5.32508  282.196      5.42739  16.6336  0.16007   16.7953  0.161575  
1 1 1 24 18 2  o 8.79403  0.0675913 77.3403      1.1888   74.4925      1.60838  80.7696      1.76494  8.63033  0.0931816 8.98652  0.0981995 
1 1 1 24 18 3  o 12.9588  0.0937498 167.952      2.42976  168.12       3.48289  167.793      3.39135  12.9643  0.134326  12.9518  0.130922  
1 1 1 24 18 4  o 8.15772  0.0680509 66.5531      1.11028  65.2645      1.54458  67.9309      1.59708  8.07805  0.0956035 8.2414   0.0968939 
1 1 1 24 18 5  o 12.2374  0.0918033 149.775      2.24687  145.196      3.05447  155.174      3.31682  12.0481  0.126761  12.455   0.133152  
1 1 1 24 18 6  f 15.1445  0.121043  229.415      3.66628  231.472      5.23536  227.434      5.13589  15.2103  0.1721    15.0771  0.170321  
1 1 1 24 18 7  o 12.8552  0.104248  165.289      2.68025  163.344      3.70702  167.419      3.87976  12.7781  0.145054  12.9364  0.149955  
1 1 1 24 18 8  o 12.4174  0.0964811 154.221      2.3961   156.471      3.47143  152.174      3.31141  12.5064  0.138786  12.3337  0.134243  
1 1 1 24 18 9  o 17.1624  0.123395  294.64       4.23549  292.176      5.94184  297.184      6.03911  17.0878  0.173862  17.2336  0.175214  
1 1 1 24 18 10 o 4.97589  0.0685078 24.762       0.681774 24.8099      0.992123 24.7191      0.938462 4.98043  0.0996022 4.97136  0.094387  
1 1 1 24 18 11 o 5.67296  0.0650798 32.1855      0.738391 33.0565      1.06628  31.383       1.02352  5.74893  0.0927372 5.60153  0.0913603 
1 1 1 24 18 12 o 10.9926  0.0871454 120.86       1.91591  122.385      2.73065  119.381      2.68885  11.0608  0.123439  10.9242  0.123069  
1 1 1 24 18 13 o 5.95565  0.0777549 35.4752      0.926162 36.3126      1.30406  34.623       1.31559  6.02508  0.10822   5.88318  0.11181   
1 1 1 24 18 14 o 12.8228  0.0965528 164.468      2.47616  165.527      3.53169  163.444      3.47269  12.8623  0.137289  12.7812  0.135852  
1 1 1 24 18 15 o 13.7648  0.110476  189.542      3.04135  190.617      4.50222  188.64       4.12476  13.8006  0.163117  13.7297  0.150213  
1 1 1 24 18 16 o 24.9353  0.187092  622.585      9.33041  626.364      13.1024  618.698      13.29    24.9949  0.2621    24.8402  0.267511  
1 1 1 24 18 17 o 4.09758  0.0966476 16.7973      0.792042 16.3741      1.11869  17.2226      1.12155  4.04472  0.138291  4.14827  0.135182  
1 1 1 24 18 18 o 4.71102  0.0930668 22.2039      0.87688  22.7188      1.23346  21.6778      1.24684  4.76432  0.129448  4.65375  0.133961  
1 1 1 24 18 19 f 3.2382   0.126213  10.4962      0.817408 9.95228      1.13426  11.0838      1.17901  3.15158  0.179952  3.32602  0.17724   
1 1 1 24 18 20 o 4.05331  0.10001   16.4411      0.810746 15.4609      1.12017  17.5196      1.17493  3.92912  0.142547  4.18263  0.140453  
1 1 1 24 18 21 o 7.78382  0.0872147 60.6292      1.35773  61.0438      1.91476  60.2099      1.92551  7.80779  0.122619  7.75414  0.12416   
1 1 1 24 18 22 o 2.8088   0.139299  7.90593      0.782525 7.50365      1.13288  8.27299      1.08217  2.73294  0.207265  2.87077  0.188481  
1 1 1 24 18 23 o 4.34755  0.0945758 18.9226      0.822347 20.198       1.15269  17.6005      1.17354  4.48955  0.128375  4.19011  0.140037  
1 1 1 24 18 24 o 5.87109  0.0869808 34.5079      1.02134  36.8085      1.4559   32.2786      1.43317  6.06054  0.120113  5.67474  0.126276  
1 1 1 24 18 25 o 2.21186  0.159052  4.91378      0.703601 5.26888      0.971937 4.52279      1.01988  2.28642  0.212546  2.116    0.240992  
1 1 1 24 18 26 o 1.67245  0.211713  2.82226      0.708157 3.31775      0.985306 2.29283      1.01849  1.8081   0.272471  1.46747  0.351188  
1 1 1 24 18 27 f 3.22777  0.121149  10.4535      0.782084 11.2         1.07528  9.61495      1.13959  3.33679  0.161125  3.08884  0.184468  
1 1 1 24 18 28 o 1.27786  0.304851  1.74023      0.769329 1.43057      1.06396  2.07955      1.11374  1.18847  0.388869  1.39195  0.386546  
1 1 1 24 18 29 o 3.64651  0.115921  13.3531      0.845416 13.4302      1.18896  13.2743      1.20235  3.64943  0.162898  3.62766  0.165719  
1 1 1 24 18 30 o 2.21925  0.213367  5.0058       0.947027 5.20812      1.39323  4.83204      1.29118  2.24326  0.310537  2.16355  0.298394  
1 1 1 24 18 31 o 1.38463  0.304662  2.06044      0.820873 1.56584      1.16867  2.54208      1.15326  1.22972  0.407556  1.52254  0.379612  
1 1 1 24 18 32 f 1.49336  0.292363  2.39394      0.842068 3.82798      1.17152  0.861126     1.2112   1.91346  0.306127  1.04659  0.405306  
1 1 1 24 18 33 o 1.37281  0.330257  2.07389      0.897058 2.94456      1.27281  1.21456      1.26449  1.61591  0.396319  1.13493  0.420168  
1 1 1 24 18 34 o 3.83844  0.133137  14.8962      1.02208  14.5809      1.38424  15.2741      1.51554  3.77881  0.183158  3.86171  0.196227  
1 1 1 24 18 35 o 3.24946  0.164392  10.7716      1.06837  11.0047      1.45559  10.4994      1.57305  3.25753  0.223419  3.16862  0.248223  
1 1 1 24 18 36 o 3.45209  0.150505  12.1354      1.03911  14.1565      1.47374  10.1373      1.46535  3.70369  0.198956  3.11499  0.235209  
1 1 1 24 18 37 o 2.44248  0.203415  6.20891      0.993672 4.44956      1.35217  8.27457      1.46515  1.96957  0.356342  2.7836   0.263176  
1 1 1 24 18 38 o 2.48842  0.195062  6.48161      0.97079  6.81978      1.36379  6.13423      1.38221  2.50007  0.27275   2.3557   0.293376  
1 1 1 24 18 39 o 2.81725  0.182388  8.32823      1.02767  8.13837      1.38621  8.55991      1.53126  2.72577  0.254279  2.77405  0.275998  
1 1 1 24 18 40 o 0.592226 0.284167  -0.975378    0.968872 -1.47838     1.33534  -0.416209    1.40792  0.662927 0.32151   0.787035 0.366746  
1 1 1 24 18 41 o 0.727829 0.335236  -0.146492    1.13318  0.455939     1.72631  -0.6026      1.5021   0.906816 0.41604   0.759934 0.361874  
1 1 1 24 18 42 o 1.19287  0.401901  2.24624      1.13646  2.21366      1.70191  2.27245      1.52672  1.09696  0.459983  1.12629  0.449842  
1 1 1 24 18 43 o 0.649997 0.309371  -0.207581    1.09666  -0.485909    1.53669  0.0812934    1.56553  0.696845 0.339728  0.745701 0.358635  
1 1 1 24 18 44 o 0.595048 0.28891   -0.343915    1.08353  -1.01109     1.56991  0.263012     1.49735  0.61573  0.307559  0.689649 0.336064  
1 1 1 24 19 0  o 2.33804  0.121441  5.51119      0.564368 5.51119      0.564368 5.51119      0.564368 2.34286  0.0854246 ?        ?         
1 1 1 24 19 1  o 11.463   0.0820561 131.415      1.88122  132.138      2.66803  130.699      2.65293  11.4939  0.116063  11.4311  0.11604   
1 1 1 24 19 2  o 18.3705  0.124316  337.56       4.5675   338.47       6.46574  336.652      6.45314  18.3929  0.175767  18.3434  0.175898  
1 1 1 24 19 3  o 2.764    0.0777408 7.64046      0.429751 8.05099      0.637027 7.29756      0.582188 2.83713  0.112266  2.70114  0.107767  
1 1 1 24 19 4  o 13.5056  0.0985271 182.431      2.66133  180.152      3.72243  184.815      3.80636  13.4198  0.138692  13.5923  0.140018  
1 1 1 24 19 5  o 12.3569  0.101798  152.721      2.5158   155.445      3.82578  150.645      3.33938  12.4651  0.15346   12.2717  0.13606   
1 1 1 24 19 6  o 17.8797  0.137228  319.797      4.90718  327.177      7.08701  312.999      6.8014   18.0814  0.195975  17.6856  0.192287  
1 1 1 24 19 7  o 22.7046  0.161289  515.767      7.32401  514.567      10.2213  517.033      10.4997  22.6724  0.225412  22.7261  0.231006  
1 1 1 24 19 8  o 7.29995  0.0736579 53.2952      1.0754   52.8182      1.5977   53.6904      1.45411  7.2667   0.109933  7.32663  0.0992344 
1 1 1 24 19 9  o 9.17356  0.0773629 84.1649      1.41939  84.9591      2.02609  83.3995      1.98905  9.21614  0.109921  9.13118  0.108915  
1 1 1 24 19 10 o 24.5718  0.164866  604.132      8.10211  609.895      11.5633  598.573      11.3557  24.6812  0.234254  24.4513  0.232211  
1 1 1 24 19 11 o 9.18518  0.0774769 84.3794      1.42328  85.167       2.03159  83.6201      1.99457  9.22729  0.110086  9.14313  0.109075  
1 1 1 24 19 12 o 7.11465  0.0747249 50.6253      1.06328  50.4924      1.49502  50.7613      1.51255  7.1048   0.105212  7.12368  0.106164  
1 1 1 24 19 13 o 9.19799  0.0798441 84.6179      1.46881  83.023       2.05606  86.2801      2.09903  9.11009  0.112845  9.28706  0.113008  
1 1 1 24 19 14 o 6.34075  0.0947889 40.216       1.20206  42.3982      1.71745  38.1205      1.68302  6.50966  0.131916  6.17244  0.136334  
1 1 1 24 19 15 o 2.15304  0.165874  4.64002      0.714267 4.83063      1.01834  4.45543      1.00211  2.19581  0.231882  2.10871  0.237611  
1 1 1 24 19 16 o 4.48935  0.0924741 20.1615      0.830297 19.7882      1.18428  20.5225      1.16441  4.4467   0.133164  4.52857  0.128562  
1 1 1 24 19 17 o 4.30051  0.0909688 18.5019      0.782424 18.1999      1.1143   18.7956      1.09889  4.26434  0.130653  4.33367  0.126785  
1 1 1 24 19 18 o 2.21719  0.173548  4.92438      0.769577 5.86707      1.1495   4.15864      1.03602  2.41832  0.237666  2.03552  0.254484  
1 1 1 24 19 19 o 4.57984  0.0947077 20.9873      0.867492 20.7846      1.24723  21.1773      1.20738  4.55616  0.136873  4.59923  0.131259  
1 1 1 24 19 20 o 4.36144  0.0984616 19.0367      0.858868 20.591       1.2061   17.4376      1.22333  4.53454  0.13299   4.17227  0.146603  
1 1 1 24 19 21 o 1.94536  0.188081  3.79794      0.731773 4.76567      1.00536  2.70758      1.06717  2.17725  0.230879  1.60571  0.342427  
1 1 1 24 19 22 f 3.6006   0.107936  12.9815      0.77727  12.3799      1.09629  13.5896      1.10219  3.51363  0.156005  3.68169  0.149685  
1 1 1 24 19 23 f 5.93794  0.0855646 35.2944      1.01616  35.3575      1.45521  35.2343      1.41957  5.94015  0.122489  5.93005  0.119693  
1 1 1 24 19 24 o 1.94633  0.178798  3.80698      0.695999 4.39682      0.962744 3.1612       1.00735  2.08817  0.230523  1.76675  0.285087  
1 1 1 24 19 25 o 2.37791  0.147831  5.67717      0.703057 6.5024       0.983851 4.81602      1.00503  2.54123  0.193578  2.18392  0.230098  
1 1 1 24 19 26 o 2.14862  0.165769  4.64295      0.71235  5.03828      0.99496  4.22719      1.02035  2.23319  0.222767  2.04289  0.249732  
1 1 1 24 19 27 o 1.58204  0.231194  2.53539      0.731516 2.01837      1.00238  3.12448      1.06996  1.37402  0.360322  1.71973  0.322978  
1 1 1 24 19 28 f 3.99704  0.109605  16.0317      0.876195 15.9392      1.22099  16.1299      1.25809  3.97901  0.153429  4.00208  0.15718   
1 1 1 24 19 29 o 3.05111  0.132545  9.36322      0.808818 10.1012      1.15526  8.65371      1.13276  3.16065  0.182756  2.92344  0.193737  
1 1 1 24 19 30 o 3.85087  0.139966  14.9331      1.07798  16.5224      1.56046  13.4822      1.49091  4.03763  0.193239  3.64437  0.204549  
1 1 1 24 19 31 o 3.41116  0.133195  11.7186      0.908701 12.3898      1.3133   11.1022      1.25864  3.49511  0.187877  3.30793  0.190245  
1 1 1 24 19 32 o 1.561    0.258096  2.51832      0.805774 2.65452      1.12673  2.37574      1.15279  1.54857  0.368607  1.46066  0.387967  
1 1 1 24 19 33 o 3.27051  0.147918  10.8315      0.967534 11.4628      1.36277  10.1899      1.3739   3.34569  0.20366   3.14902  0.218147  
1 1 1 24 19 34 o 0.716562 0.315872  -0.145141    0.880545 -0.787287    1.17853  0.66633      1.32483  0.733378 0.339343  1.01759  0.413907  
1 1 1 24 19 35 o 4.10608  0.134299  17.089       1.10288  17.237       1.53093  16.9293      1.59019  4.09826  0.186778  4.05625  0.196017  
1 1 1 24 19 36 o 2.89794  0.174149  8.62043      1.00935  8.82825      1.39262  8.39044      1.46499  2.89942  0.240155  2.81493  0.260217  
1 1 1 24 19 37 o 0.610414 0.288439  -0.898574    0.938038 -0.596466    1.27315  -1.25732     1.38737  0.771035 0.355213  0.732964 0.348437  
1 1 1 24 19 38 o 1.16419  0.356706  1.61452      0.90881  4.0457       1.27887  -0.865824    1.29173  1.84774  0.358871  0.734221 0.344553  
1 1 1 24 19 39 o 1.72427  0.282609  3.3446       0.974589 3.29457      1.33318  3.40202      1.42829  1.5829   0.41575   1.58845  0.436378  
1 1 1 24 19 40 o 0.64035  0.300219  -0.570087    0.972332 -1.18565     1.39321  0.0144542    1.35765  0.702853 0.3381    0.82576  0.375459  
1 1 1 24 19 41 o 0.651015 0.31023   -0.661397    1.1057   0.49136      1.65999  -1.58073     1.48242  0.890602 0.408336  0.66822  0.327449  
1 1 1 24 19 42 f 1.46099  0.386149  3.22012      1.14555  1.53788      1.69804  4.62526      1.5519   0.975898 0.433317  1.64556  0.456067  
1 1 1 24 19 43 o 0.548554 0.270334  -1.22573     1.06921  -1.42852     1.50615  -1.0197      1.51811  0.628502 0.312137  0.656411 0.323277  
1 1 1 24 20 0  o 9.02012  0.0999001 81.3995      1.80172  81.3995      1.80172  81.3995      1.80172  9.02114  0.0706223 ?        ?         
1 1 1 24 20 1  o 3.32508  0.0671879 11.057       0.44681  11.3824      0.624369 10.7154      0.639679 3.37353  0.0925394 3.27317  0.0977155 
1 1 1 24 20 2  o 5.7361   0.0604506 32.905       0.693502 31.6488      0.912123 34.626       1.06766  5.6254   0.0810718 5.88395  0.0907265 
1 1 1 24 20 3  o 15.2547  0.106036  232.752      3.23509  234.628      4.6549   230.999      4.49927  15.3143  0.151978  15.1956  0.148045  
1 1 1 24 20 4  o 28.246   0.196685  798.417      11.1112  789.04       15.547   808.206      15.8855  28.0695  0.276938  28.4079  0.279597  
1 1 1 24 20 5  o 11.7497  0.092204  138.079      2.16675  137.354      3.08859  138.783      3.04046  11.7178  0.131791  11.7787  0.129066  
1 1 1 24 20 6  o 8.70871  0.086429  75.8531      1.50537  77.9039      2.11423  73.7444      2.14391  8.82503  0.119786  8.58609  0.124848  
1 1 1 24 20 7  o 19.4681  0.141342  379.166      5.50335  377.613      7.56938  380.908      8.01558  19.4246  0.19484   19.5083  0.205441  
1 1 1 24 20 8  o 6.35813  0.0707111 40.4301      0.899181 42.9252      1.32905  38.324       1.22107  6.55101  0.101439  6.18999  0.0986324 
1 1 1 24 20 9  o 17.8699  0.127856  319.448      4.56956  317.364      6.42434  321.582      6.50102  17.8084  0.180374  17.9262  0.181327  
1 1 1 24 20 10 o 17.5599  0.122943  308.457      4.31772  310.549      6.14642  306.418      6.06673  17.6162  0.174454  17.4987  0.173348  
1 1 1 24 20 11 o 20.8453  0.147552  434.762      6.15154  436.995      8.73704  432.567      8.66263  20.893   0.20909   20.7869  0.208367  
1 1 1 24 20 12 o 23.414   0.16877   548.635      7.90317  550.148      11.488   547.276      10.8895  23.4361  0.245092  23.3767  0.232914  
1 1 1 24 20 13 o 9.78105  0.0884148 95.691       1.72958  95.5091      2.47936  95.8635      2.41394  9.77054  0.126879  9.78879  0.123301  
1 1 1 24 20 14 o 10.6698  0.0915164 113.875      1.95292  114.398      2.82048  113.394      2.70672  10.6927  0.131889  10.6458  0.127126  
1 1 1 24 20 15 o 17.5785  0.130924  309.211      4.6029   310.382      6.53584  308.059      6.48346  17.6057  0.185617  17.5398  0.184822  
1 1 1 24 20 16 o 4.66929  0.0911512 21.8107      0.851223 21.9772      1.24997  21.6667      1.16242  4.68603  0.133372  4.65305  0.124909  
1 1 1 24 20 17 o 6.94309  0.078346  48.2224      1.08793  48.4765      1.54251  47.971       1.53465  6.96022  0.110809  6.92384  0.110823  
1 1 1 24 20 18 o 7.55133  0.089699  57.0508      1.35469  59.1585      1.94662  55.0714      1.88645  7.68764  0.126607  7.4173   0.127165  
1 1 1 24 20 19 o 10.3892  0.0912162 108          1.89533  111.736      2.76363  104.683      2.60426  10.5639  0.130805  10.2255  0.127342  
1 1 1 24 20 20 o 2.86172  0.137208  8.20302      0.785301 9.98243      1.09     6.28258      1.13237  3.15534  0.172723  2.50085  0.226397  
1 1 1 24 20 21 o 7.4577   0.0840647 55.6594      1.25386  55.2017      1.74435  56.1488      1.80358  7.42432  0.117475  7.48746  0.12044   
1 1 1 24 20 22 o 2.23769  0.159109  5.02281      0.712074 4.76401      1.0076   5.28102      1.00645  2.1755   0.23158   2.29126  0.219628  
1 1 1 24 20 23 o 0.871649 0.312521  0.652585     0.693966 0.602814     0.992925 0.700114     0.970297 0.949453 0.367121  0.96866  0.366037  
1 1 1 24 20 24 o 1.38088  0.255344  1.98776      0.678657 1.87599      0.960134 2.09936      0.959399 1.33212  0.354178  1.40736  0.343411  
1 1 1 24 20 25 o 2.99328  0.125116  8.98706      0.749012 9.6236       1.05836  8.34836      1.06017  3.09339  0.171069  2.87987  0.184065  
1 1 1 24 20 26 o 5.53474  0.0874028 30.6844      0.967502 31.4188      1.36946  29.9525      1.36706  5.59617  0.122357  5.46362  0.125105  
1 1 1 24 20 27 o 1.76706  0.207387  3.15761      0.732932 1.64352      1.00682  4.86453      1.06902  1.25035  0.373929  2.18868  0.244215  
1 1 1 24 20 28 o 0.913369 0.31977   0.772604     0.722707 0.478569     0.996867 1.09837      1.04927  0.910835 0.363587  1.08688  0.384824  
1 1 1 24 20 29 o 2.3537   0.181588  5.60401      0.854808 6.40517      1.18219  4.72618      1.23747  2.50632  0.235841  2.14262  0.288775  
1 1 1 24 20 30 o 3.13737  0.152381  9.92816      0.956148 9.86004      1.38835  9.98963      1.31873  3.11119  0.223122  3.13476  0.21034   
1 1 1 24 20 31 o 0.985215 0.341162  0.939335     0.820727 0.905344     1.22666  0.966884     1.10432  1.06568  0.408955  1.05383  0.392153  
1 1 1 24 20 32 o 0.655405 0.296827  -0.395142    0.835258 -0.359079    1.11537  -0.441187    1.26033  0.777142 0.347859  0.817309 0.367672  
1 1 1 24 20 33 o 1.06032  0.350823  1.17662      0.86595  1.00472      1.2292   1.34598      1.22013  1.07483  0.410273  1.15784  0.414467  
1 1 1 24 20 34 o 0.825878 0.335972  0.379423     0.873008 0.0660894    1.17098  0.771512     1.3099   0.859007 0.371468  1.03326  0.415037  
1 1 1 24 20 35 o 0.617325 0.290278  -0.877388    0.929116 -0.833282    1.30449  -0.9228      1.32366  0.767217 0.355772  0.76284  0.355522  
1 1 1 24 20 36 o 2.19228  0.221541  5.01386      0.97136  6.25882      1.35941  3.71509      1.38847  2.419    0.280986  1.77845  0.400065  
1 1 1 24 20 37 o 0.951238 0.360813  0.884012     0.945763 -1.31563     1.28199  3.51079      1.40094  0.68957  0.329907  1.68496  0.417354  
1 1 1 24 20 38 o 0.835236 0.3401    0.513804     0.895448 -0.963943    1.22902  2.18584      1.30732  0.70101  0.330858  1.30678  0.431054  
1 1 1 24 20 39 o 0.654936 0.303526  -0.46034     0.947686 0.39888      1.32608  -1.35724     1.35485  0.890158 0.390122  0.685912 0.330795  
1 1 1 24 20 40 o 1.34492  0.356858  2.34178      0.975961 3.41731      1.419    1.37629      1.34445  1.53865  0.439271  1.04525  0.420217  
1 1 1 24 20 41 o 1.20609  0.401373  2.23463      1.13348  3.06008      1.58476  1.37009      1.62184  1.30212  0.471733  0.988396 0.432321  
1 1 1 24 20 42 o 0.727714 0.335697  0.218129     1.14199  0.0651072    1.87786  0.307931     1.43857  0.802468 0.387586  0.780364 0.365738  
1 1 1 24 20 43 o 0.701012 0.324428  0.225722     1.07785  0.802389     1.53344  -0.337411    1.51534  0.812542 0.380223  0.706084 0.342458  
1 1 1 24 21 0  o 2.53549  0.121531  6.4738       0.613051 6.4738       0.613051 6.4738       0.613051 2.53996  0.0855544 ?        ?         
1 1 1 24 21 1  o 8.63616  0.0675191 74.5898      1.16621  74.334       1.64059  74.8511      1.6581   8.62096  0.0951512 8.65088  0.0958339 
1 1 1 24 21 2  f 17.8725  0.121402  319.517      4.3395   321.778      6.17305  317.309      6.10154  17.9329  0.172115  17.808   0.171314  
1 1 1 24 21 3  o 9.66308  0.0748726 93.3856      1.447    96.844       2.10387  90.2811      1.99334  9.8398   0.106906  9.50058  0.104906  
1 1 1 24 21 4  o 21.6764  0.154227  470.095      6.68618  461.02       9.39842  479.395      9.51402  21.4609  0.218966  21.8845  0.217369  
1 1 1 24 21 5  o 4.03793  0.0846428 16.3073      0.683564 15.8745      0.957074 16.758       0.976633 3.98369  0.120124  4.09305  0.119304  
1 1 1 24 21 6  o 18.0501  0.14028   325.939      5.06413  326.3        7.07593  325.561      7.2508   18.0565  0.195939  18.0356  0.201013  
1 1 1 24 21 7  o 10.2646  0.099731  105.385      2.0474   108.34       3.07923  103.043      2.7411   10.4062  0.147951  10.149   0.135043  
1 1 1 24 21 8  o 4.54755  0.075517  20.6828      0.686835 19.4875      0.878347 22.5639      1.10189  4.41399  0.0994959 4.74944  0.116002  
1 1 1 24 21 9  o 14.3036  0.105604  204.647      3.02106  201.503      4.2175   207.961      4.32953  14.1915  0.148593  14.4171  0.150153  
1 1 1 24 21 10 o 27.4074  0.187807  751.821      10.2946  747.656      14.4759  756.082      14.6431  27.3194  0.264938  27.4726  0.266503  
1 1 1 24 21 11 o 3.00906  0.100146  9.05686      0.602692 8.92134      0.861657 9.18667      0.843309 2.98602  0.144282  3.03016  0.139152  
1 1 1 24 21 12 o 8.2859   0.0814253 68.6693      1.34936  65.1276      1.75723  73.7588      2.10648  8.06877  0.108891  8.58641  0.122664  
1 1 1 24 21 13 o 10.3987  0.0867084 108.159      1.80331  107.694      2.53198  108.637      2.56896  10.3751  0.122022  10.4204  0.123266  
1 1 1 24 21 14 o 4.95217  0.0842459 24.5304      0.8344   25.2934      1.21756  23.8547      1.14575  5.02788  0.121081  4.88288  0.117323  
1 1 1 24 21 15 o 8.58337  0.0823871 73.6965      1.41432  74.2413      2.0215   73.1741      1.97945  8.61367  0.117343  8.55161  0.115736  
1 1 1 24 21 16 o 3.3697   0.103276  11.361       0.696021 10.9702      0.989349 11.744       0.979371 3.31026  0.149437  3.42518  0.142966  
1 1 1 24 21 17 o 10.1571  0.0852368 103.211      1.73152  103.249      2.42927  103.171      2.46869  10.1569  0.119587  10.153   0.121575  
1 1 1 24 21 18 o 3.9905   0.104503  15.9357      0.83404  16.8523      1.21945  15.1301      1.14325  4.10209  0.148638  3.8869   0.147064  
1 1 1 24 21 19 f 5.01412  0.087942  25.1567      0.881903 24.9293      1.22094  25.4048      1.27523  4.98995  0.12234   5.0371   0.126583  
1 1 1 24 21 20 o 11.0442  0.101308  122.1        2.23773  122.299      3.17192  121.903      3.15738  11.0476  0.143557  11.0298  0.14313   
1 1 1 24 21 21 o 5.94989  0.0832216 35.4288      0.990318 36.1985      1.41192  34.6834      1.38939  6.01183  0.117428  5.88463  0.118053  
1 1 1 24 21 22 o 7.97307  0.0842459 63.63        1.3434   64.8742      1.96452  62.5372      1.84117  8.04645  0.122074  7.90089  0.116517  
1 1 1 24 21 23 o 4.91897  0.0894475 24.2255      0.879978 24.7767      1.23514  23.6573      1.25403  4.97175  0.124216  4.8577   0.129077  
1 1 1 24 21 24 o 0.765232 0.299284  0.362809     0.663791 0.53588      0.939174 0.190056     0.938311 0.913022 0.356216  0.829477 0.344283  
1 1 1 24 21 25 o 3.91244  0.102444  15.3399      0.80161  15.1638      1.12671  15.5204      1.14072  3.88582  0.144977  3.93122  0.145085  
1 1 1 24 21 26 o 4.37543  0.0970561 19.1863      0.849324 20.1469      1.22661  18.3015      1.17717  4.4788   0.136935  4.26862  0.137886  
1 1 1 24 21 27 o 3.38463  0.124675  11.5053      0.843955 10.3352      1.20356  12.6372      1.18375  3.19924  0.188101  3.54124  0.167137  
1 1 1 24 21 28 o 3.76587  0.112611  14.2384      0.848158 14.0997      1.20546  14.3745      1.19358  3.73956  0.161177  3.77642  0.158031  
1 1 1 24 21 29 o 2.62115  0.174394  6.94571      0.914227 7.1961       1.2946   6.69661      1.29124  2.65409  0.243887  2.55842  0.25235   
1 1 1 24 21 30 o 7.25744  0.0985386 52.8722      1.43028  52.1294      2.03389  53.5989      2.01173  7.19177  0.141404  7.29383  0.137906  
1 1 1 24 21 31 o 1.39649  0.303363  2.10796      0.823561 2.6354       1.19721  1.63418      1.13469  1.54033  0.388438  1.23876  0.401521  
1 1 1 24 21 32 o 1.22492  0.346218  1.64689      0.885779 1.11919      1.21137  2.25326      1.29853  1.10333  0.410692  1.41608  0.424893  
1 1 1 24 21 33 o 2.85323  0.172693  8.28975      0.985465 10.0029      1.4097   6.65241      1.37815  3.11383  0.226361  2.52171  0.273258  
1 1 1 24 21 34 o 1.53493  0.319997  2.60962      0.950099 3.01254      1.33021  2.19         1.35749  1.60993  0.411521  1.37707  0.438462  
1 1 1 24 21 35 f 2.2535   0.213113  5.2561       0.960499 6.26207      1.34416  4.20649      1.373    2.43173  0.276379  1.92822  0.369195  
1 1 1 24 21 36 o 1.35126  0.349897  2.10409      0.952849 2.39877      1.38265  1.83756      1.31497  1.40776  0.44174   1.25947  0.432249  
1 1 1 24 21 37 o 1.78367  0.278622  3.47559      0.993939 5.70604      1.37863  1.06135      1.43431  2.26751  0.303996  1.06633  0.431817  
1 1 1 24 21 38 o 0.578073 0.276135  -0.930342    0.889307 -2.54101     1.27171  0.611091     1.24408  0.578735 0.287338  0.930636 0.391896  
1 1 1 24 21 39 o 1.01765  0.365139  1.26847      0.947473 1.3471       1.31432  1.1834       1.36709  1.05316  0.418398  1.02391  0.419122  
1 1 1 24 21 40 o 1.13471  0.37647   1.75502      0.997188 1.91876      1.40929  1.59083      1.41119  1.13913  0.438011  1.07166  0.430651  
1 1 1 24 21 41 o 0.773049 0.350411  0.249418     1.16653  -1.09849     1.70025  1.44823      1.60346  0.738237 0.359449  0.993189 0.432157  
1 1 1 24 21 42 o 0.950008 0.374451  1.51645      1.04508  1.66566      1.56591  1.39662      1.40334  0.938054 0.416365  0.905503 0.399014  
1 1 1 24 21 43 o 0.697338 0.326816  0.214364     1.14837  1.43112      1.71794  -0.768522    1.54404  0.858748 0.401973  0.665942 0.328001  
1 1 1 24 22 0  o 2.56283  0.127058  6.61746      0.647603 6.61746      0.647603 6.61746      0.647603 2.56768  0.0894168 ?        ?         
1 1 1 24 22 1  o 25.4141  0.170152  646.26       8.6485   644.083      12.1852  648.47       12.277   25.3637  0.240209  25.4498  0.2412    
1 1 1 24 22 2  o 7.89857  0.0680505 62.3934      1.075    63.1129      1.50564  61.6453      1.53537  7.94362  0.0947702 7.85067  0.0977859 
1 1 1 24 22 3  o 17.0087  0.121332  289.384      4.12741  290.527      5.85413  288.254      5.82009  17.0396  0.17178   16.9728  0.171453  
1 1 1 24 22 4  o 14.4977  0.106992  210.234      3.10229  207.501      4.28018  213.258      4.50289  14.4016  0.148601  14.5997  0.154212  
1 1 1 24 22 5  f 16.3022  0.126364  265.852      4.12004  264.232      5.79912  267.504      5.8545   16.2497  0.178438  16.3499  0.179038  
1 1 1 24 22 6  o 24.1633  0.182508  584.286      8.81998  579.407      12.3791  589.317      12.5698  24.0535  0.257324  24.2581  0.259084  
1 1 1 24 22 7  o 14.1039  0.113707  198.978      3.20744  200.456      4.62748  197.612      4.44974  14.154   0.163469  14.0535  0.158314  
1 1 1 24 22 8  o 9.02129  0.085779  81.3978      1.54768  80.4248      2.13912  82.4666      2.24199  8.96648  0.119284  9.07948  0.123465  
1 1 1 24 22 9  o 10.1144  0.0878722 102.322      1.77756  103.844      2.4255   100.555      2.6126   10.1886  0.11903   10.0256  0.130297  
1 1 1 24 22 10 o 9.13721  0.0806162 83.5032      1.47321  82.7541      2.03198  84.3332      2.13901  9.0954   0.111704  9.18164  0.116483  
1 1 1 24 22 11 o 10.3837  0.0832429 107.843      1.72874  109.069      2.48088  106.685      2.41026  10.4415  0.118799  10.3268  0.116699  
1 1 1 24 22 12 o 14.7472  0.112745  217.567      3.32535  220.459      4.81007  214.919      4.60231  14.8418  0.162045  14.6545  0.157028  
1 1 1 24 22 13 o 20.9977  0.149261  441.252      6.26825  443.883      8.91617  438.68       8.814    21.0516  0.211769  20.9281  0.210578  
1 1 1 24 22 14 o 2.30444  0.137986  5.31473      0.635961 4.54123      0.893139 6.11024      0.905764 2.12901  0.209754  2.47011  0.183345  
1 1 1 24 22 15 o 12.6652  0.10593   160.494      2.68325  160.781      3.71247  160.18       3.88261  12.6733  0.146468  12.649   0.153475  
1 1 1 24 22 16 o 5.61227  0.0777913 31.5081      0.873172 31.4909      1.23302  31.5254      1.23669  5.60981  0.109899  5.61287  0.110165  
1 1 1 24 22 17 f 3.86625  0.0930923 14.956       0.719836 15.2534      1.03834  14.6809      0.99881  3.90337  0.133006  3.8295   0.13041   
1 1 1 24 22 18 o 10.9867  0.099782  120.796      2.19255  121.146      3.0691   120.43       3.13338  10.9987  0.13952   10.9658  0.14287   
1 1 1 24 22 19 o 2.36754  0.152087  5.61677      0.720143 5.61695      0.984079 5.61657      1.05666  2.36545  0.208011  2.36468  0.223426  
1 1 1 24 22 20 o 4.65623  0.094292  21.7011      0.878091 21.1981      1.26452  22.1696      1.22028  4.59951  0.137463  4.70425  0.129699  
1 1 1 24 22 21 o 6.10163  0.0844813 37.2621      1.03095  36.8795      1.46568  37.6369      1.4504   6.06746  0.120782  6.12966  0.11831   
1 1 1 24 22 22 o 0.904346 0.309848  0.759969     0.675483 0.78642      0.971226 0.735187     0.940088 0.992693 0.36809   0.969695 0.361626  
1 1 1 24 22 23 o 8.61339  0.0846992 74.277       1.45909  73.8869      2.0539   74.6744      2.07318  8.58568  0.119612  8.63123  0.120097  
1 1 1 24 22 24 o 1.29274  0.267641  1.7554       0.668609 2.07017      0.956582 1.45473      0.934903 1.39584  0.344338  1.18719  0.361398  
1 1 1 24 22 25 o 2.9039   0.124617  8.46033      0.723751 8.16269      1.00916  8.77557      1.03855  2.84767  0.177191  2.95278  0.175859  
1 1 1 24 22 26 o 5.64484  0.090444  31.9293      1.02108  32.0269      1.44338  31.8314      1.44468  5.64777  0.127784  5.63041  0.128292  
1 1 1 24 22 27 o 7.08564  0.0912597 50.3282      1.29327  49.9537      1.82291  50.7078      1.83506  7.05075  0.129271  7.1038   0.12916   
1 1 1 24 22 28 o 0.671551 0.293529  -0.126891    0.746572 0.551178     1.06236  -0.788489    1.04938  0.946224 0.376084  0.694975 0.321052  
1 1 1 24 22 29 o 2.06916  0.212278  4.35038      0.878475 5.64953      1.25425  3.09938      1.23078  2.3468   0.267225  1.6877   0.374508  
1 1 1 24 22 30 o 3.14533  0.141613  9.9725       0.89084  10.7076      1.32098  9.35929      1.20647  3.24527  0.203524  3.03523  0.198745  
1 1 1 24 22 31 o 1.69811  0.256246  2.97854      0.870267 2.67965      1.23588  3.27252      1.22568  1.54814  0.397215  1.72312  0.36662   
1 1 1 24 22 32 o 1.48686  0.307569  2.40608      0.883624 3.05454      1.1891   1.60643      1.32046  1.6555   0.368716  1.2386   0.432369  
1 1 1 24 22 33 o 2.05236  0.230708  4.35535      0.94699  4.54086      1.29312  4.14079      1.39068  2.0668   0.312832  1.92414  0.37475   
1 1 1 24 22 34 o 0.998732 0.358325  0.988764     0.912426 1.64457      1.30473  0.361067     1.27646  1.22786  0.429674  0.939184 0.396299  
1 1 1 24 22 35 o 0.72909  0.321714  -0.117002    0.916507 0.363232     1.25721  -0.661687    1.33892  0.928019 0.392527  0.796123 0.365733  
1 1 1 24 22 36 o 1.70337  0.282502  3.13596      0.962413 3.62426      1.38487  2.67985      1.33843  1.73786  0.40547   1.47861  0.428084  
1 1 1 24 22 37 o 0.822992 0.341566  0.411698     0.923459 0.821314     1.29177  -0.0164324   1.32064  0.992651 0.407051  0.854727 0.380657  
1 1 1 24 22 38 o 1.73001  0.27489   3.33033      0.951124 4.59499      1.35381  2.09775      1.33654  1.94729  0.361162  1.26262  0.435542  
1 1 1 24 22 39 o 0.658178 0.30371   -0.365012    0.935632 -0.551962    1.30085  -0.164652    1.3467   0.744217 0.348616  0.803154 0.368053  
1 1 1 24 22 40 o 1.29207  0.385769  2.36259      1.07219  2.54425      1.55273  2.19704      1.48232  1.23853  0.464184  1.17231  0.44965   
1 1 1 24 22 41 f 0.716968 0.328246  0.0244869    1.06832  0.0591694    1.56336  -0.00589622  1.46326  0.809591 0.379766  0.787767 0.369146  
1 1 1 24 22 42 o 0.569916 0.278139  -0.892728    1.03991  -0.641389    1.54755  -1.09966     1.40419  0.689782 0.337196  0.634244 0.312382  
1 1 1 24 22 43 o 0.709826 0.332002  0.524192     1.16743  -1.38151     1.60114  2.68727      1.70584  0.612687 0.306343  0.941738 0.425469  
1 1 1 24 23 0  o 2.04208  0.169703  4.25709      0.68208  4.25709      0.68208  4.25709      0.68208  2.05295  0.118367  ?        ?         
1 1 1 24 23 1  o 12.1229  0.0908828 146.99       2.20352  149.674      3.16032  144.45       3.07397  12.2319  0.129183  12.0166  0.127904  
1 1 1 24 23 2  o 13.334   0.0960005 177.831      2.56015  177.461      3.53616  178.239      3.71138  13.3189  0.132749  13.3478  0.139025  
1 1 1 24 23 3  o 6.0445   0.0619391 36.5391      0.748782 36.4994      1.03836  36.582       1.08079  6.04099  0.0859426 6.04778  0.0893545 
1 1 1 24 23 4  o 4.5586   0.0744039 20.7833      0.678355 22.1386      0.956058 19.4092      0.962655 4.70464  0.101608  4.40502  0.109268  
1 1 1 24 23 5  o 12.1081  0.0992109 146.639      2.40252  148.875      3.44429  144.52       3.3529   12.1987  0.141174  12.019   0.139483  
1 1 1 24 23 6  o 13.0626  0.10431   170.675      2.72514  169.799      3.88332  171.525      3.82519  13.0274  0.149045  13.0935  0.146072  
1 1 1 24 23 7  o 29.8407  0.230581  891.601      13.7614  893.767      19.5063  889.455      19.417   29.8575  0.326657  29.7855  0.325948  
1 1 1 24 23 8  o 12.1475  0.103568  147.602      2.51618  144.563      3.50001  150.852      3.61984  12.0202  0.145589  12.2788  0.147402  
1 1 1 24 23 9  o 3.65731  0.101697  13.3796      0.743873 13.0812      1.04666  13.6842      1.05741  3.61576  0.144736  3.69819  0.142963  
1 1 1 24 23 10 o 16.0805  0.113066  258.679      3.63632  260.686      5.23389  256.806      5.05579  16.1396  0.162144  16.0194  0.157802  
1 1 1 24 23 11 o 15.3329  0.112221  235.19       3.44134  237.398      4.9137   233.065      4.82121  15.4016  0.159519  15.2605  0.157963  
1 1 1 24 23 12 o 7.32702  0.0754469 53.6959      1.1056   55.4329      1.60801  52.1385      1.5226   7.44381  0.10801   7.21929  0.105454  
1 1 1 24 23 13 o 2.07704  0.14473   4.31776      0.601219 5.20902      0.862444 3.47517      0.838562 2.28065  0.189078  1.86224  0.225148  
1 1 1 24 23 14 o 13.7427  0.110881  188.97       3.04762  188.597      4.25601  189.363      4.36606  13.7253  0.155043  13.7527  0.158734  
1 1 1 24 23 15 o 4.81333  0.0811288 23.1763      0.780999 21.7337      1.10542  24.614       1.10359  4.66021  0.118601  4.95963  0.111257  
1 1 1 24 23 16 o 3.9506   0.0875301 15.6144      0.691592 15.3395      0.979417 15.8877      0.976705 3.91472  0.125094  3.98414  0.122574  
1 1 1 24 23 17 o 6.95925  0.0774016 48.4511      1.07731  47.9448      1.49788  48.9936      1.5506   6.9214   0.108206  6.99656  0.110811  
1 1 1 24 23 18 o 3.90207  0.106972  15.2403      0.834824 15.6957      1.17674  14.7787      1.18454  3.95821  0.148645  3.84058  0.154214  
1 1 1 24 23 19 o 3.49632  0.107789  12.2387      0.753726 10.4902      1.0304   14.251       1.10541  3.23472  0.159272  3.77097  0.146568  
1 1 1 24 23 20 o 1.77392  0.190957  3.15974      0.677484 3.35318      0.950926 2.96035      0.965454 1.82416  0.260648  1.71287  0.281823  
1 1 1 24 23 21 o 4.55963  0.0936643 20.8144      0.854149 21.0798      1.23252  20.5693      1.18479  4.58578  0.134385  4.53019  0.130766  
1 1 1 24 23 22 o 6.10715  0.0856305 37.3383      1.04592  37.4486      1.49538  37.2327      1.46344  6.1126   0.12232   6.09521  0.120048  
1 1 1 24 23 23 o 4.05248  0.0973869 16.45        0.789318 16.7119      1.1158   16.1876      1.11673  4.08129  0.136697  4.01653  0.139016  
1 1 1 24 23 24 o 4.86002  0.0891335 23.6575      0.866382 23.3946      1.21585  23.9287      1.23487  4.82915  0.125886  4.88389  0.126423  
1 1 1 24 23 25 o 5.69411  0.0870154 32.4783      0.990949 31.9435      1.38931  33.0321      1.41384  5.64225  0.123117  5.73757  0.123209  
1 1 1 24 23 26 o 4.90613  0.0978768 24.1324      0.960393 25.3664      1.37188  22.9465      1.34493  5.02396  0.136533  4.77758  0.140754  
1 1 1 24 23 27 o 6.01254  0.0902588 36.2406      1.08537  35.3926      1.51757  37.1286      1.55293  5.93434  0.127864  6.07817  0.127746  
1 1 1 24 23 28 o 3.59988  0.129188  13.0363      0.930126 13.0157      1.35123  13.0548      1.28227  3.58497  0.188457  3.59267  0.178457  
1 1 1 24 23 29 o 1.86564  0.220346  3.54405      0.822174 4.76182      1.20532  2.4844       1.12435  2.15052  0.280239  1.508    0.374118  
1 1 1 24 23 30 o 5.19027  0.102039  27.0572      1.05922  27.1729      1.51976  26.9479      1.47707  5.18914  0.146437  5.16873  0.142885  
1 1 1 24 23 31 o 3.42251  0.149432  11.8476      1.02286  11.7702      1.39369  11.938       1.50591  3.39425  0.205302  3.41276  0.22063   
1 1 1 24 23 32 o 2.85451  0.156709  8.26624      0.894654 8.76655      1.26988  7.77317      1.26064  2.92037  0.217417  2.74566  0.229569  
1 1 1 24 23 33 o 2.98923  0.177669  9.12464      1.06219  8.8851       1.5117   9.35822      1.4928   2.91573  0.259233  2.99735  0.249019  
1 1 1 24 23 34 o 0.802636 0.334207  0.27283      0.888597 0.360794     1.23261  0.177647     1.28219  0.926266 0.390071  0.907062 0.390431  
1 1 1 24 23 35 o 1.47033  0.330915  2.44664      0.949588 4.1793       1.35034  0.751534     1.33562  1.91247  0.366091  1.01752  0.415016  
1 1 1 24 23 36 o 1.83768  0.257518  3.62113      0.946471 3.87251      1.36995  3.39157      1.30915  1.79777  0.391888  1.67629  0.396256  
1 1 1 24 23 37 o 1.96188  0.241941  4.13541      0.949317 4.63128      1.34739  3.64661      1.33774  2.01301  0.334669  1.7196   0.396758  
1 1 1 24 23 38 o 0.606427 0.286493  -0.774752    0.924971 -0.97203     1.30337  -0.574579    1.3129   0.711537 0.338001  0.758038 0.353589  
1 1 1 24 23 39 o 0.899887 0.358362  0.851797     0.966316 2.79526      1.3829   -1.00254     1.35082  1.38743  0.442626  0.708254 0.338799  
1 1 1 24 23 40 o 0.966783 0.369815  1.25955      1.00047  -0.130443    1.40079  2.70691      1.4294   0.780065 0.364394  1.2762   0.449427  
1 1 1 24 23 41 o 0.69707  0.321866  -0.0355306   1.05307  0.0815359    1.54709  -0.136594    1.43747  0.797678 0.374934  0.759538 0.358287  
1 1 1 24 23 42 o 0.592161 0.286002  -0.584984    1.02225  0.22128      1.46452  -1.35106     1.42756  0.746094 0.355909  0.618156 0.306484  
1 1 1 24 23 43 o 0.552611 0.272963  -0.908539    1.10614  -0.0766584   1.54779  -1.77695     1.5814   0.669133 0.32959   0.580013 0.292522  
1 1 1 24 24 0  o 10.6261  0.158038  113.019      3.35697  113.019      3.35697  113.019      3.35697  10.6286  0.111696  ?        ?         
1 1 1 24 24 1  o 0.595542 0.347773  0.435057     0.676254 0.435057     0.676254 0.435057     0.676254 0.555085 0.304557  ?        ?         
1 1 1 24 24 2  o 21.2557  0.202809  452.132      8.61991  452.132      8.61991  452.132      8.61991  21.2595  0.143367  ?        ?         
1 1 1 24 24 3  o 3.92223  0.0939628 15.4119      0.736132 15.4119      0.736132 15.4119      0.736132 3.92402  0.0663682 ?        ?         
1 1 1 24 24 4  o 27.7007  0.295057  768.357      16.3424  768.357      16.3424  768.357      16.3424  27.7099  0.208541  ?        ?         
1 1 1 24 24 5  o 12.0853  0.144898  146.153      3.50113  146.153      3.50113  146.153      3.50113  12.0873  0.102424  ?        ?         
1 1 1 24 24 6  o 8.64903  0.114103  74.8568      1.97299  74.8568      1.97299  74.8568      1.97299  8.6505   0.0806536 ?        ?         
1 1 1 24 24 7  o 0.840907 0.444626  1.03153      0.989588 1.03153      0.989588 1.03153      0.989588 0.840476 0.384558  ?        ?         
1 1 1 24 24 8  o 33.18    0.361822  1103.28      24.0041  1103.28      24.0041  1103.28      24.0041  33.1977  0.255676  ?        ?         
1 1 1 24 24 9  o 3.37519  0.151074  11.464       1.01516  11.464       1.01516  11.464       1.01516  3.38055  0.106408  ?        ?         
1 1 1 24 24 10 o 2.28785  0.1555    5.30838      0.703977 5.30838      0.703977 5.30838      0.703977 2.29606  0.10896   ?        ?         
1 1 1 24 24 11 o 12.747   0.148367  162.615      3.78133  162.615      3.78133  162.615      3.78133  12.7495  0.104875  ?        ?         
1 1 1 24 24 12 o 4.16949  0.1123    17.4268      0.934932 17.4268      0.934932 17.4268      0.934932 4.17202  0.0792944 ?        ?         
1 1 1 24 24 13 o 0.83972  0.413814  1.04627      0.82365  1.04627      0.82365  1.04627      0.82365  0.867781 0.347395  ?        ?         
1 1 1 24 24 14 o 15.3166  0.168721  234.856      5.16706  234.856      5.16706  234.856      5.16706  15.3208  0.119255  ?        ?         
1 1 1 24 24 15 o 4.47958  0.117052  20.1156      1.04707  20.1156      1.04707  20.1156      1.04707  4.48232  0.0826535 ?        ?         
1 1 1 24 24 16 o 9.96125  0.123837  99.3222      2.46629  99.3222      2.46629  99.3222      2.46629  9.96363  0.0875299 ?        ?         
1 1 1 24 24 17 o 6.33682  0.117845  40.2181      1.49237  40.2181      1.49237  40.2181      1.49237  6.33929  0.0832643 ?        ?         
1 1 1 24 24 18 o 1.65021  0.340696  3.05808      0.992406 3.05808      0.992406 3.05808      0.992406 1.70844  0.212814  ?        ?         
1 1 1 24 24 19 o 9.84115  0.126257  96.9795      2.48411  96.9795      2.48411  96.9795      2.48411  9.84449  0.0892304 ?        ?         
1 1 1 24 24 20 o 7.59425  0.118383  57.7642      1.79708  57.7642      1.79708  57.7642      1.79708  7.59726  0.0836536 ?        ?         
1 1 1 24 24 21 o 4.1348   0.140032  17.179       1.155    17.179       1.155    17.179       1.155    4.13979  0.0987679 ?        ?         
1 1 1 24 24 22 o 1.55507  0.329492  2.7354       0.900813 2.7354       0.900813 2.7354       0.900813 1.61352  0.204799  ?        ?         
1 1 1 24 24 23 o 4.45593  0.129475  19.9367      1.15166  19.9367      1.15166  19.9367      1.15166  4.4605   0.0913706 ?        ?         
1 1 1 24 24 24 o 4.25279  0.132924  18.1725      1.1281   18.1725      1.1281   18.1725      1.1281   4.25789  0.0937743 ?        ?         
1 1 1 24 24 25 o 6.10018  0.121787  37.3235      1.48451  37.3235      1.48451  37.3235      1.48451  6.10475  0.0860132 ?        ?         
1 1 1 24 24 26 o 6.22849  0.130194  38.9385      1.62023  38.9385      1.62023  38.9385      1.62023  6.23431  0.0919295 ?        ?         
1 1 1 24 24 27 o 9.24183  0.129285  85.6907      2.38861  85.6907      2.38861  85.6907      2.38861  9.2493   0.0913244 ?        ?         
1 1 1 24 24 28 o 3.42303  0.19271   11.9052      1.30974  11.9052      1.30974  11.9052      1.30974  3.43681  0.135212  ?        ?         
1 1 1 24 24 29 o 5.16945  0.146364  26.9003      1.5105   26.9003      1.5105   26.9003      1.5105   5.17802  0.103229  ?        ?         
1 1 1 24 24 30 o 4.0918   0.159613  16.9214      1.30169  16.9214      1.30169  16.9214      1.30169  4.10277  0.112363  ?        ?         
1 1 1 24 24 31 o 1.15325  0.52092   2.04401      1.28241  2.04401      1.28241  2.04401      1.28241  1.24687  0.410986  ?        ?         
1 1 1 24 24 32 o 4.09478  0.176061  17.0177      1.4358   17.0177      1.4358   17.0177      1.4358   4.11003  0.123764  ?        ?         
1 1 1 24 24 33 o 0.661035 0.438194  -0.0646211   1.45943  -0.0646211   1.45943  -0.0646211   1.45943  0.559366 0.369918  ?        ?         
1 1 1 24 24 34 o 2.72266  0.253856  7.78081      1.35471  7.78081      1.35471  7.78081      1.35471  2.75693  0.175357  ?        ?         
1 1 1 24 24 35 o 0.700046 0.441199  0.448621     1.2747   0.448621     1.2747   0.448621     1.2747   0.627814 0.384296  ?        ?         
1 1 1 24 24 36 o 0.942159 0.506421  1.52261      1.30039  1.52261      1.30039  1.52261      1.30039  0.982951 0.4411    ?        ?         
1 1 1 24 24 37 o 2.55013  0.269579  7.01907      1.33977  7.01907      1.33977  7.01907      1.33977  2.60132  0.184215  ?        ?         
1 1 1 24 24 38 o 0.770803 0.466713  0.95461      1.29787  0.95461      1.29787  0.95461      1.29787  0.749454 0.41769   ?        ?         
1 1 1 24 24 39 o 2.3351   0.318483  6.26221      1.42596  6.26221      1.42596  6.26221      1.42596  2.42332  0.211762  ?        ?         
1 1 1 24 24 40 o 0.647767 0.430735  0.398283     1.42534  0.398283     1.42534  0.398283     1.42534  0.591096 0.381031  ?        ?         
1 1 1 24 24 41 o 1.0281   0.543555  2.51081      1.47884  2.51081      1.47884  2.51081      1.47884  1.22907  0.458553  ?        ?         
1 1 1 24 24 42 f 0.589691 0.410539  0.0126942    1.65246  0.0126942    1.65246  0.0126942    1.65246  0.528271 0.362503  ?        ?         
1 1 1 25 0  0  o 2.00188  0.138352  4.06573      0.547852 4.06573      0.547852 4.06573      0.547852 2.00925  0.0969156 ?        ?         
1 1 1 25 0  1  o 10.9114  0.109264  119.115      2.38392  119.115      2.38392  119.115      2.38392  10.9127  0.0772438 ?        ?         
1 1 1 25 0  2  o 0.692848 0.27554   0.664318     0.36723  0.664318     0.36723  0.664318     0.36723  0.745279 0.201925  ?        ?         
1 1 1 25 0  3  o 14.9553  0.14299   223.784      4.27602  223.784      4.27602  223.784      4.27602  14.9573  0.101085  ?        ?         
1 1 1 25 0  4  o 4.33     0.0768361 18.7681      0.664929 18.7681      0.664929 18.7681      0.664929 4.33111  0.0542981 ?        ?         
1 1 1 25 0  5  o 10.8353  0.114656  117.463      2.48403  117.463      2.48403  117.463      2.48403  10.8367  0.0810533 ?        ?         
1 1 1 25 0  6  o 7.4565   0.0900788 55.6295      1.3429   55.6295      1.3429   55.6295      1.3429   7.45751  0.0636762 ?        ?         
1 1 1 25 0  7  o 9.76394  0.104715  95.3804      2.04433  95.3804      2.04433  95.3804      2.04433  9.76511  0.0740261 ?        ?         
1 1 1 25 0  8  f 0.457831 0.282412  0.17535      0.494183 0.17535      0.494183 0.17535      0.494183 0.406223 0.244169  ?        ?         
1 1 1 25 0  9  o 1.32996  0.223234  1.91218      0.54346  1.91218      0.54346  1.91218      0.54346  1.35991  0.145064  ?        ?         
1 1 1 25 0  10 o 21.8816  0.207986  479.145      9.10026  479.145      9.10026  479.145      9.10026  21.8854  0.147027  ?        ?         
1 1 1 25 0  11 o 8.86104  0.107226  78.5605      1.89964  78.5605      1.89964  78.5605      1.89964  8.86224  0.0757975 ?        ?         
1 1 1 25 0  12 o 0.392099 0.265991  -0.261594    0.598856 -0.261594    0.598856 -0.261594    0.598856 0.313382 0.215968  ?        ?         
1 1 1 25 0  13 o 28.8805  0.279116  834.795      16.1186  834.795      16.1186  834.795      16.1186  28.8866  0.197303  ?        ?         
1 1 1 25 0  14 o 8.91486  0.113123  79.5206      2.01621  79.5206      2.01621  79.5206      2.01621  8.91614  0.0799637 ?        ?         
1 1 1 25 0  15 o 3.86899  0.105697  15.0038      0.8165   15.0038      0.8165   15.0038      0.8165   3.87124  0.0746321 ?        ?         
1 1 1 25 0  16 o 15.5487  0.161803  241.897      5.03043  241.897      5.03043  241.897      5.03043  15.5509  0.114382  ?        ?         
1 1 1 25 0  17 o 7.6543   0.105424  58.6283      1.6132   58.6283      1.6132   58.6283      1.6132   7.65561  0.0745172 ?        ?         
1 1 1 25 0  18 o 2.76564  0.173758  7.74137      0.952409 7.74137      0.952409 7.74137      0.952409 2.7741   0.121918  ?        ?         
1 1 1 25 0  19 o 12.762   0.143976  162.97       3.67378  162.97       3.67378  162.97       3.67378  12.764   0.101776  ?        ?         
1 1 1 25 0  20 o 2.55871  0.240331  6.72354      1.20494  6.72354      1.20494  6.72354      1.20494  2.57639  0.166959  ?        ?         
1 1 1 25 0  21 o 3.99547  0.170338  16.0578      1.35553  16.0578      1.35553  16.0578      1.35553  4.00138  0.120016  ?        ?         
1 1 1 25 0  22 o 6.38927  0.145778  40.9038      1.86064  40.9038      1.86064  40.9038      1.86064  6.39244  0.102969  ?        ?         
1 1 1 25 0  23 o 12.6342  0.143197  159.767      3.61731  159.767      3.61731  159.767      3.61731  12.6371  0.101218  ?        ?         
1 1 1 25 0  24 o 1.60025  0.425588  3.05405      1.1741   3.05405      1.1741   3.05405      1.1741   1.68628  0.266001  ?        ?         
1 1 1 25 0  25 o 8.71433  0.125521  76.0313      2.18663  76.0313      2.18663  76.0313      2.18663  8.71695  0.088709  ?        ?         
1 1 1 25 0  26 o 2.07312  0.338086  4.64837      1.28929  4.64837      1.28929  4.64837      1.28929  2.11988  0.220489  ?        ?         
1 1 1 25 0  27 o 2.76904  0.238918  7.86233      1.30049  7.86233      1.30049  7.86233      1.30049  2.78696  0.166336  ?        ?         
1 1 1 25 0  28 o 5.2854   0.150073  28.0478      1.5835   28.0478      1.5835   28.0478      1.5835   5.29071  0.105913  ?        ?         
1 1 1 25 0  29 o 8.17351  0.134541  66.9645      2.198    66.9645      2.198    66.9645      2.198    8.17833  0.0950495 ?        ?         
1 1 1 25 0  30 o 9.90183  0.134963  98.2822      2.67164  98.2822      2.67164  98.2822      2.67164  9.90781  0.0953554 ?        ?         
1 1 1 25 0  31 o 6.5719   0.137635  43.3444      1.80725  43.3444      1.80725  43.3444      1.80725  6.57778  0.0971869 ?        ?         
1 1 1 25 0  32 o 6.84177  0.144815  47.015       1.97957  47.015       1.97957  47.015       1.97957  6.84931  0.102235  ?        ?         
1 1 1 25 0  33 o 0.605741 0.407908  -0.413486    1.36806  -0.413486    1.36806  -0.413486    1.36806  0.494045 0.336223  ?        ?         
1 1 1 25 0  34 o 1.39413  0.519877  2.69774      1.34445  2.69774      1.34445  2.69774      1.34445  1.5165   0.361489  ?        ?         
1 1 1 25 0  35 o 3.87017  0.191786  15.2083      1.47617  15.2083      1.47617  15.2083      1.47617  3.88505  0.134704  ?        ?         
1 1 1 25 0  36 o 1.26494  0.530769  2.38301      1.34135  2.38301      1.34135  2.38301      1.34135  1.3807   0.396566  ?        ?         
1 1 1 25 0  37 o 4.43513  0.186131  19.9828      1.64442  19.9828      1.64442  19.9828      1.64442  4.45266  0.130827  ?        ?         
1 1 1 25 0  38 o 0.629767 0.426905  -0.442132    1.53871  -0.442132    1.53871  -0.442132    1.53871  0.518373 0.354107  ?        ?         
1 1 1 25 0  39 o 1.09415  0.555677  2.00281      1.50496  2.00281      1.50496  2.00281      1.50496  1.16361  0.470257  ?        ?         
1 1 1 25 0  40 o 0.821386 0.501751  0.928781     1.52977  0.928781     1.52977  0.928781     1.52977  0.77529  0.445272  ?        ?         
1 1 1 25 0  41 o 1.90691  0.443954  4.51483      1.47061  4.51483      1.47061  4.51483      1.47061  2.03381  0.265804  ?        ?         
1 1 1 25 0  42 o 1.27699  0.571087  2.83269      1.54131  2.83269      1.54131  2.83269      1.54131  1.45092  0.43215   ?        ?         
1 1 1 25 0  43 o 0.48856  0.350745  -1.43937     1.45425  -1.43937     1.45425  -1.43937     1.45425  0.385868 0.279386  ?        ?         
1 1 1 25 0  44 o 0.545212 0.385564  -0.808901    1.58261  -0.808901    1.58261  -0.808901    1.58261  0.452225 0.320815  ?        ?         
1 1 1 25 0  45 o 0.761212 0.495819  1.3521       1.76885  1.3521       1.76885  1.3521       1.76885  0.775962 0.463945  ?        ?         
1 1 1 25 0  46 o 0.63042  0.438353  0.341615     1.85822  0.341615     1.85822  0.341615     1.85822  0.583707 0.395246  ?        ?         
1 1 1 25 1  0  o 3.12077  0.0801911 9.75936      0.49977  9.75936      0.49977  9.75936      0.49977  3.12239  0.0566318 ?        ?         
1 1 1 25 1  1  o 2.75024  0.0544309 7.56444      0.299396 7.00304      0.415691 8.16956      0.431575 2.6461   0.0785478 2.85802  0.0755025 
1 1 1 25 1  2  o 6.88298  0.0542556 47.3792      0.74688  47.739       1.05252  47.0142      1.06001  6.9088   0.0761725 6.85613  0.0773041 
1 1 1 25 1  3  o 16.2843  0.110725  265.267      3.60616  266.017      5.05853  264.492      5.14227  16.3048  0.155124  16.2578  0.158148  
1 1 1 25 1  4  o 23.1425  0.157413  535.924      7.28586  536.299      10.3112  535.55       10.2964  23.143   0.222771  23.1269  0.222606  
1 1 1 25 1  5  o 23.3561  0.162481  545.877      7.58987  547.463      10.765   544.31       10.7027  23.382   0.230199  23.3146  0.229527  
1 1 1 25 1  6  o 13.1078  0.0942035 171.852      2.4696   172.411      3.42981  171.251      3.55885  13.1277  0.130633  13.0832  0.136008  
1 1 1 25 1  7  o 11.5197  0.0853861 132.727      1.96724  133.207      2.75273  132.226      2.81244  11.5395  0.119274  11.4968  0.122314  
1 1 1 25 1  8  o 11.8514  0.0871542 140.481      2.0658   139.86       2.85168  141.168      2.99668  11.8242  0.120587  11.8791  0.126132  
1 1 1 25 1  9  o 7.94373  0.0662215 63.1091      1.05209  63.7653      1.53331  62.5252      1.44626  7.98448  0.0960185 7.90653  0.09146   
1 1 1 25 1  10 o 2.00618  0.0984075 4.0255       0.394845 3.88234      0.567152 4.16014      0.550033 1.96996  0.14395   2.03928  0.13486   
1 1 1 25 1  11 o 13.754   0.0993227 189.205      2.73217  188.301      3.88949  190.085      3.83876  13.7199  0.141746  13.7848  0.139238  
1 1 1 25 1  12 o 17.9146  0.125029  321.008      4.4797   322.404      6.35785  319.631      6.31288  17.9513  0.177086  17.8739  0.176595  
1 1 1 25 1  13 o 14.9519  0.106667  223.595      3.18975  221.828      4.38664  225.578      4.64655  14.8915  0.147287  15.0166  0.154714  
1 1 1 25 1  14 o 25.7074  0.184524  661.206      9.48725  664.318      13.822   658.434      13.0456  25.7602  0.268281  25.6473  0.254328  
1 1 1 25 1  15 o 17.1641  0.119857  294.672      4.11448  292.953      5.72458  296.509      5.91775  17.1121  0.167267  17.2154  0.171874  
1 1 1 25 1  16 o 5.45168  0.0732267 29.7236      0.798417 30.3875      1.12832  29.0579      1.12994  5.51196  0.102352  5.39     0.104818  
1 1 1 25 1  17 o 18.3524  0.128169  336.924      4.7044   333.023      6.65856  340.811      6.64751  18.2427  0.1825    18.4549  0.180101  
1 1 1 25 1  18 o 4.46614  0.0860178 19.9496      0.768335 18.4146      1.07167  21.5731      1.10215  4.29049  0.124889  4.64398  0.118664  
1 1 1 25 1  19 o 12.3333  0.106372  152.151      2.62383  152.409      3.78257  151.913      3.64269  12.3419  0.153241  12.322   0.147812  
1 1 1 25 1  20 o 13.0672  0.110172  170.809      2.87928  168.816      3.99429  172.964      4.15425  12.9886  0.153761  13.147   0.157992  
1 1 1 25 1  21 o 13.3538  0.110583  178.395      2.9534   178.433      4.11888  178.354      4.2371   13.3527  0.154233  13.3495  0.158699  
1 1 1 25 1  22 o 6.87612  0.0952108 47.299       1.30936  47.563       1.84602  47.0317      1.85746  6.89396  0.133887  6.85529  0.135476  
1 1 1 25 1  23 o 10.3982  0.0925605 108.17       1.92492  109.432      2.72213  106.908      2.72236  10.4564  0.130166  10.335   0.131706  
1 1 1 25 1  24 o 7.63182  0.0889221 58.2735      1.35728  57.9098      1.91825  58.6381      1.92071  7.60604  0.126101  7.65375  0.125475  
1 1 1 25 1  25 o 3.19885  0.137232  10.2475      0.877965 10.3503      1.23783  10.1435      1.24546  3.21252  0.192658  3.18012  0.19582   
1 1 1 25 1  26 f 11.7059  0.102933  137.178      2.40984  137.143      3.33626  137.216      3.48462  11.6986  0.142592  11.7006  0.148908  
1 1 1 25 1  27 o 3.8872   0.126287  15.1396      0.981805 16.3159      1.36204  13.8672      1.41652  4.0323   0.168891  3.71567  0.190614  
1 1 1 25 1  28 o 3.27534  0.143872  10.7603      0.942458 11.7242      1.35874  9.86647      1.30836  3.41413  0.198988  3.13105  0.208933  
1 1 1 25 1  29 o 2.61885  0.170118  6.89348      0.89103  5.24236      1.21395  8.82198      1.31196  2.27527  0.266771  2.95727  0.22182   
1 1 1 25 1  30 o 5.03541  0.104962  25.413       1.05705  24.2956      1.46741  26.6182      1.52399  4.91784  0.149192  5.14773  0.148025  
1 1 1 25 1  31 o 1.27006  0.344057  1.71592      0.895558 1.42673      1.25208  2.01883      1.28145  1.21827  0.42143   1.38436  0.423449  
1 1 1 25 1  32 o 3.02289  0.157843  9.20523      0.954286 9.57757      1.3612   8.84535      1.33822  3.07268  0.221501  2.9519   0.226671  
1 1 1 25 1  33 o 1.91931  0.259291  3.77072      0.99532  3.81288      1.44074  3.73223      1.37663  1.869    0.397359  1.85335  0.384292  
1 1 1 25 1  34 o 1.75445  0.270895  3.16421      0.950546 4.65023      1.34456  1.67945      1.34399  2.11597  0.317718  1.28256  0.437058  
1 1 1 25 1  35 o 1.02089  0.369194  0.962752     0.970311 1.70271      1.35661  0.187715     1.3884   1.28062  0.439086  0.962609 0.410036  
1 1 1 25 1  36 o 2.48935  0.20152   6.33669      1.00331  7.95316      1.40188  4.63931      1.43654  2.7711   0.252946  2.086    0.344327  
1 1 1 25 1  37 o 0.949358 0.370584  0.696758     1.01674  0.0932243    1.41117  1.34827      1.46619  0.939759 0.407107  1.191    0.449983  
1 1 1 25 1  38 o 1.37736  0.388422  2.18058      1.11613  2.45079      1.55934  1.89671      1.59826  1.44212  0.470773  1.31307  0.473931  
1 1 1 25 1  39 o 0.812906 0.354948  0.0125922    1.08937  -0.360468    1.53605  0.390105     1.54519  0.891982 0.403324  1.00211  0.42989   
1 1 1 25 1  40 o 0.862498 0.367234  0.306294     1.11282  1.2448       1.55354  -0.682719    1.59479  1.13155  0.453039  0.854332 0.395096  
1 1 1 25 1  41 o 0.694184 0.317686  -0.41147     0.999551 -0.750372    1.42909  -0.0868957   1.39856  0.786994 0.367797  0.861286 0.387391  
1 1 1 25 1  42 o 1.10953  0.383338  1.54404      1.03569  1.27638      1.48267  1.79911      1.44735  1.06648  0.436503  1.1699   0.445591  
1 1 1 25 1  43 o 1.9297   0.278018  4.29315      1.07298  5.53364      1.52348  3.07219      1.51144  2.05998  0.384079  1.42081  0.463487  
1 1 1 25 1  44 o 0.716365 0.331851  -0.12006     1.13123  -0.835718    1.59478  0.604668     1.60486  0.740042 0.357391  0.884394 0.40382   
1 1 1 25 1  45 o 0.636239 0.308228  -0.711934    1.22135  0.425152     1.72595  -1.85246     1.72856  0.810357 0.386519  0.656308 0.327103  
1 1 1 25 1  46 o 0.653406 0.316814  -0.441505    1.29519  0.518973     1.83053  -1.40439     1.83282  0.783374 0.379104  0.668039 0.333493  
1 1 1 25 2  0  o 6.56135  0.0754319 43.0717      0.989576 43.0717      0.989576 43.0717      0.989576 6.56213  0.0533242 ?        ?         
1 1 1 25 2  1  o 10.6797  0.0744198 114.073      1.58957  114.316      2.25144  113.831      2.24455  10.6903  0.105303  10.6676  0.105204  
1 1 1 25 2  2  o 15.7435  0.108312  247.934      3.41043  250.533      4.76753  245.212      4.8806   15.8235  0.150648  15.6542  0.155888  
1 1 1 25 2  3  o 11.7379  0.0819496 137.802      1.92383  138.393      2.70075  137.192      2.74111  11.762   0.114808  11.7108  0.117033  
1 1 1 25 2  4  o 8.0253   0.0625551 64.4118      1.00405  65.275       1.40582  63.5131      1.43449  8.07851  0.08701   7.96868  0.0900078 
1 1 1 25 2  5  o 3.97406  0.0520391 15.7942      0.413613 15.6593      0.570328 15.9439      0.600731 3.95693  0.072067  3.9927   0.0752287 
1 1 1 25 2  6  o 12.0099  0.087146  144.264      2.09323  143.999      2.8944   144.554      3.03085  11.9978  0.120622  12.0207  0.126068  
1 1 1 25 2  7  o 3.36316  0.0588117 11.3118      0.395586 11.0906      0.554528 11.5409      0.56449  3.32998  0.0832631 3.39691  0.0830888 
1 1 1 25 2  8  o 12.5657  0.091606  157.927      2.30218  160.874      3.31051  155.167      3.20367  12.681   0.13053   12.4542  0.128618  
1 1 1 25 2  9  o 3.79899  0.0615033 14.4335      0.467301 15.5406      0.681896 13.4532      0.641664 3.94184  0.0864947 3.66756  0.0874783 
1 1 1 25 2  10 o 17.1841  0.119501  295.371      4.10703  291.91       5.75255  298.969      5.86552  17.0809  0.168392  17.2861  0.16966   
1 1 1 25 2  11 o 8.76731  0.0720626 76.8722      1.26359  78.1303      1.85531  75.7838      1.7257   8.83833  0.104958  8.70468  0.0991246 
1 1 1 25 2  12 o 11.5948  0.0882171 134.454      2.04572  133.458      2.88201  135.466      2.90428  11.5511  0.124751  11.6376  0.12478   
1 1 1 25 2  13 o 10.4844  0.0846864 109.935      1.77578  108.986      2.55782  110.818      2.46729  10.4385  0.122519  10.5259  0.117201  
1 1 1 25 2  14 o 19.9071  0.138629  396.407      5.51942  398.203      7.84555  394.646      7.76632  19.9491  0.196639  19.8599  0.195528  
1 1 1 25 2  15 o 7.87253  0.0731526 61.9821      1.15179  63.8591      1.66071  60.2425      1.59881  7.99047  0.103918  7.76092  0.103004  
1 1 1 25 2  16 o 6.06287  0.0708904 36.7619      0.859599 36.1462      1.17097  37.4815      1.26588  6.01163  0.0973923 6.12159  0.103395  
1 1 1 25 2  17 o 6.55619  0.0747494 42.9887      0.980143 43.4497      1.42965  42.5798      1.34636  6.59083  0.108457  6.52459  0.103176  
1 1 1 25 2  18 o 15.9781  0.114692  255.372      3.66512  250.44       5.13484  260.495      5.23308  15.8207  0.162283  16.1352  0.162164  
1 1 1 25 2  19 o 15.1775  0.126504  230.45       3.84004  228.552      5.37366  232.431      5.48947  15.1119  0.177796  15.2395  0.180107  
1 1 1 25 2  20 o 15.9217  0.121167  253.608      3.85836  254.952      5.42801  252.235      5.48554  15.9606  0.170044  15.8751  0.172772  
1 1 1 25 2  21 o 9.83959  0.0981897 96.8493      1.93229  95.8934      2.7152   97.8303      2.75049  9.78931  0.138682  9.88766  0.139087  
1 1 1 25 2  22 o 3.46715  0.134603  12.0308      0.933377 11.5805      1.30173  12.5073      1.33905  3.40021  0.191419  3.53372  0.189467  
1 1 1 25 2  23 o 5.03735  0.0989433 25.3883      0.996824 25.1311      1.40519  25.6489      1.4143   5.01045  0.140225  5.06183  0.139703  
1 1 1 25 2  24 f 3.63329  0.123938  13.2139      0.900609 13.1231      1.26463  13.3074      1.28287  3.61896  0.174723  3.64423  0.176013  
1 1 1 25 2  25 o 8.06711  0.0902357 65.1213      1.45588  66.0424      2.05077  64.1854      2.06719  8.12135  0.126258  8.00612  0.129101  
1 1 1 25 2  26 o 2.57221  0.168635  6.63618      0.86753  7.32212      1.22519  5.94646      1.22856  2.69863  0.227002  2.43037  0.252752  
1 1 1 25 2  27 o 5.12632  0.103105  26.3143      1.0571   25.8287      1.49507  26.7997      1.49486  5.07527  0.14729   5.17004  0.14457   
1 1 1 25 2  28 o 4.6542   0.109947  21.7007      1.02344  21.7368      1.46076  21.666       1.43432  4.65362  0.156948  4.64632  0.15435   
1 1 1 25 2  29 o 1.66537  0.254593  2.80608      0.84798  4.08407      1.15784  1.32752      1.24539  2.00574  0.288631  1.19717  0.419707  
1 1 1 25 2  30 o 1.01526  0.343082  0.990077     0.828158 2.44745      1.159    -0.530297    1.18378  1.51252  0.382647  0.792581 0.356452  
1 1 1 25 2  31 o 4.67087  0.114624  21.8899      1.07079  21.3475      1.4906   22.4683      1.53922  4.60508  0.161843  4.72422  0.162907  
1 1 1 25 2  32 o 3.1426   0.159156  9.95139      1.00033  9.62642      1.44379  10.2514      1.38726  3.07728  0.234588  3.1791   0.218184  
1 1 1 25 2  33 o 1.37295  0.344986  2.04056      0.946899 1.79277      1.3478   2.28206      1.3306   1.3147   0.437677  1.44781  0.429239  
1 1 1 25 2  34 o 0.951018 0.361746  0.710769     0.952872 0.891902     1.3665   0.53934      1.32939  1.09856  0.429459  1.01654  0.414236  
1 1 1 25 2  35 o 1.6211   0.306852  2.82755      0.958698 3.20206      1.32188  2.41197      1.39248  1.69518  0.396551  1.46893  0.439844  
1 1 1 25 2  36 o 2.05593  0.237378  4.36233      0.976064 4.36444      1.32674  4.35985      1.44106  2.02804  0.3271    1.98297  0.376965  
1 1 1 25 2  37 o 2.74064  0.198065  7.69932      1.08565  8.00824      1.44669  7.30109      1.64257  2.7697   0.261163  2.62042  0.313418  
1 1 1 25 2  38 o 0.985868 0.382394  0.819465     1.07901  2.24487      1.5291   -0.594271    1.52283  1.39004  0.466186  0.866886 0.395089  
1 1 1 25 2  39 o 0.578853 0.282316  -1.73386     1.06504  -2.16991     1.49452  -1.28393     1.51814  0.695581 0.338218  0.780876 0.368309  
1 1 1 25 2  40 o 1.00238  0.383906  0.987683     1.07925  0.918885     1.51031  1.05947      1.54279  1.06076  0.438319  1.09106  0.445696  
1 1 1 25 2  41 o 1.04973  0.378768  1.24756      1.02078  -0.345984    1.48853  2.66225      1.40251  0.84919  0.38823   1.42643  0.444365  
1 1 1 25 2  42 o 0.645937 0.303895  -0.714781    1.02102  -0.383654    1.45532  -1.03575     1.43282  0.811228 0.376026  0.736712 0.351577  
1 1 1 25 2  43 o 0.872713 0.365533  0.697849     1.07272  0.699673     1.52811  0.696077     1.50623  0.93886  0.414697  0.935551 0.412672  
1 1 1 25 2  44 o 0.633925 0.305504  -0.881253    1.15051  0.424976     1.598    -2.28704     1.65779  0.860814 0.3971    0.654648 0.325444  
1 1 1 25 2  45 o 0.711738 0.335471  0.0143146    1.25537  0.0136687    1.72779  0.0150368    1.8271   0.770372 0.372028  0.779749 0.377592  
1 1 1 25 2  46 o 0.667686 0.321514  -0.147061    1.26792  0.252809     1.79229  -0.547669    1.79394  0.74878  0.365379  0.699143 0.34589   
1 1 1 25 3  0  o 9.85645  0.098272  97.1908      1.93679  97.1908      1.93679  97.1908      1.93679  9.85749  0.0694737 ?        ?         
1 1 1 25 3  1  o 7.42178  0.0562621 55.0874      0.835129 55.8327      1.19604  54.3783      1.16661  7.4715   0.0800405 7.37356  0.0791075 
1 1 1 25 3  2  o 18.3878  0.123088  338.243      4.52665  338.151      6.40475  338.334      6.39855  18.3816  0.174216  18.3866  0.174     
1 1 1 25 3  3  o 6.54291  0.0556065 42.813       0.727657 42.4351      0.994671 43.2482      1.06729  6.51373  0.0763518 6.57578  0.0811529 
1 1 1 25 3  4  o 8.69902  0.0659067 75.6812      1.14665  74.4236      1.57944  77.0827      1.66734  8.62599  0.0915511 8.77867  0.0949653 
1 1 1 25 3  5  o 12.6356  0.0909649 159.691      2.29879  161.658      3.28422  157.802      3.21873  12.7118  0.12918   12.5594  0.128141  
1 1 1 25 3  6  o 9.48955  0.0746131 90.0636      1.41609  88.2206      1.94509  92.1421      2.06565  9.39136  0.103558  9.59771  0.107612  
1 1 1 25 3  7  o 13.9865  0.100366  195.67       2.80755  195.903      3.89251  195.416      4.05332  13.9933  0.139085  13.9756  0.145014  
1 1 1 25 3  8  o 3.05165  0.0669284 9.31352      0.408485 9.61086      0.594251 9.04717      0.562431 3.09982  0.0958526 3.00755  0.0935031 
1 1 1 25 3  9  f 8.4732   0.0688674 71.8017      1.16705  72.0036      1.65792  71.6035      1.6431   8.48469  0.0977009 8.46109  0.0970976 
1 1 1 25 3  10 o 16.7551  0.116966  280.799      3.91956  288.335      5.68115  273.954      5.41463  16.9763  0.167326  16.5477  0.163607  
1 1 1 25 3  11 o 21.2187  0.143098  450.375      6.0727   448.384      8.55938  452.392      8.61711  21.1683  0.202175  21.2627  0.202635  
1 1 1 25 3  12 o 15.1258  0.107322  228.827      3.24664  226.64       4.45744  231.298      4.73831  15.0521  0.148067  15.2057  0.155807  
1 1 1 25 3  13 o 7.15875  0.077224  51.2522      1.10565  51.3196      1.60567  51.1914      1.52473  7.16308  0.112079  7.1542   0.106562  
1 1 1 25 3  14 o 3.53091  0.0754947 12.4684      0.533129 11.7573      0.761591 13.1516      0.746551 3.42857  0.111065  3.62622  0.102938  
1 1 1 25 3  15 o 4.17949  0.0805675 17.47        0.673461 17.3041      0.948651 17.6387      0.956231 4.15935  0.114038  4.19937  0.113854  
1 1 1 25 3  16 o 15.6183  0.109993  243.991      3.43582  244.944      4.86896  243.046      4.84905  15.6469  0.155589  15.5862  0.155556  
1 1 1 25 3  17 o 6.00916  0.0752793 36.1143      0.90473  35.9707      1.26073  36.2668      1.2991   5.99685  0.105116  6.02145  0.107872  
1 1 1 25 3  18 o 10.7603  0.0885027 115.804      1.90463  113.112      2.62372  118.803      2.76926  10.6336  0.12337   10.8977  0.127057  
1 1 1 25 3  19 o 18.7649  0.14849   352.322      5.57282  352.364      7.76056  352.278      8.00756  18.7609  0.206828  18.758   0.213444  
1 1 1 25 3  20 o 8.37718  0.0870211 70.1928      1.45798  69.3181      2.01847  71.1472      2.10826  8.32393  0.121245  8.43292  0.125002  
1 1 1 25 3  21 o 1.87548  0.239622  3.52469      0.898814 3.49447      1.28175  3.55393      1.26074  1.83359  0.362416  1.85072  0.353267  
1 1 1 25 3  22 o 6.73918  0.0899312 45.4335      1.21213  46.5791      1.71138  44.2803      1.71705  6.82239  0.125424  6.65177  0.129067  
1 1 1 25 3  23 o 8.80987  0.0875817 77.6471      1.54317  76.5328      2.15618  78.8172      2.20953  8.74461  0.123286  8.87408  0.124494  
1 1 1 25 3  24 o 10.6713  0.0943151 113.944      2.01292  115.294      2.81555  112.532      2.8789   10.7312  0.131185  10.6015  0.135778  
1 1 1 25 3  25 o 5.53212  0.0973785 30.6291      1.07742  31.2018      1.53428  30.0719      1.51333  5.58133  0.137448  5.4793   0.138095  
1 1 1 25 3  26 o 5.81883  0.0954889 33.8922      1.11127  33.6179      1.52182  34.2057      1.62654  5.79269  0.131357  5.84244  0.1392    
1 1 1 25 3  27 o 3.59609  0.132749  12.9616      0.954756 13.5969      1.3967   12.4043      1.30811  3.67875  0.189833  3.51403  0.186126  
1 1 1 25 3  28 o 3.2654   0.140196  10.695       0.915592 11.0088      1.3154   10.4001      1.27522  3.3078   0.198833  3.21511  0.198317  
1 1 1 25 3  29 o 1.20446  0.332021  1.52693      0.825114 0.867833     1.11432  2.32693      1.22767  1.0495   0.393252  1.47867  0.403846  
1 1 1 25 3  30 o 0.947459 0.339358  0.788259     0.818082 0.631361     1.16233  0.942281     1.15163  1.00322  0.395065  1.0757   0.400431  
1 1 1 25 3  31 o 5.04376  0.110223  25.5209      1.11188  23.5975      1.54694  27.5766      1.59923  4.84159  0.159755  5.23538  0.152733  
1 1 1 25 3  32 o 3.2155   0.154142  10.415       0.991286 10.6283      1.45359  10.2297      1.35534  3.23499  0.224667  3.17615  0.213362  
1 1 1 25 3  33 o 2.13582  0.22421   4.64438      0.957743 2.75013      1.33969  6.62447      1.36971  1.58032  0.417546  2.54054  0.269571  
1 1 1 25 3  34 o 1.00191  0.362131  0.90981      0.933425 1.29739      1.3318   0.535604     1.30863  1.18377  0.432095  1.00951  0.411117  
1 1 1 25 3  35 o 2.3105   0.209753  5.45556      0.969267 5.69087      1.32038  5.18059      1.42736  2.33983  0.282153  2.21993  0.321487  
1 1 1 25 3  36 o 2.15982  0.231204  4.80831      0.998717 7.21462      1.36422  2.02927      1.46607  2.63552  0.258814  1.35824  0.456477  
1 1 1 25 3  37 o 1.14683  0.382096  1.40985      1.02722  1.30073      1.37792  1.54634      1.54115  1.16431  0.437096  1.24227  0.46307   
1 1 1 25 3  38 o 1.5867   0.349437  2.83864      1.07899  1.86798      1.52242  3.8183       1.52946  1.29898  0.463174  1.80091  0.429963  
1 1 1 25 3  39 o 0.92806  0.37167   0.643173     1.04602  1.45001      1.50017  -0.120268    1.45927  1.18809  0.453319  0.901781 0.400916  
1 1 1 25 3  40 f 1.24504  0.388066  1.8615       1.06945  1.10773      1.47281  2.70222      1.55543  1.08593  0.438473  1.4457   0.470182  
1 1 1 25 3  41 o 0.707364 0.322301  -0.338823    1.01197  -1.62448     1.48017  0.78956      1.38668  0.713851 0.344635  0.993989 0.415919  
1 1 1 25 3  42 o 1.15304  0.381743  1.71931      1.02532  0.45578      1.44917  2.98584      1.45088  0.915996 0.404318  1.44349  0.45242   
1 1 1 25 3  43 o 0.842108 0.363202  0.532737     1.11385  -1.50796     1.55766  2.66818      1.59341  0.70669  0.34408   1.2855   0.472299  
1 1 1 25 3  44 o 0.782032 0.353369  0.302262     1.17713  0.587471     1.68427  0.0299305    1.64581  0.886131 0.40836   0.822933 0.386778  
1 1 1 25 3  45 o 1.00662  0.403823  1.93234      1.23784  0.763442     1.69898  3.25484      1.80716  0.826702 0.389836  1.12632  0.47322   
1 1 1 25 3  46 o 0.807472 0.366541  1.19725      1.28224  0.646873     1.80221  1.76146      1.82473  0.757733 0.369143  0.844824 0.400659  
1 1 1 25 4  0  o 8.28884  0.0862409 68.7337      1.42933  68.7337      1.42933  68.7337      1.42933  8.28971  0.0609677 ?        ?         
1 1 1 25 4  1  o 4.73434  0.0525394 22.4155      0.497478 22.2433      0.69125  22.6006      0.716512 4.71596  0.0732884 4.75366  0.0753642 
1 1 1 25 4  2  o 1.13724  0.124028  1.29382      0.282099 1.31457      0.397933 1.27286      0.399971 1.14611  0.173602  1.12776  0.17733   
1 1 1 25 4  3  o 11.2953  0.0794415 127.604      1.79463  128.911      2.58552  126.389      2.493    11.352   0.113879  11.2406  0.110893  
1 1 1 25 4  4  o 6.24517  0.0583438 39.0054      0.728733 36.9599      0.999644 41.3253      1.06459  6.07896  0.0822217 6.42793  0.0828096 
1 1 1 25 4  5  o 7.89857  0.0714019 62.3951      1.12795  66.2659      1.81194  59.946       1.44126  8.13915  0.11131   7.74166  0.0930844 
1 1 1 25 4  6  o 13.7906  0.101254  190.226      2.79271  192.592      3.99639  187.968      3.9042   13.8743  0.144021  13.7068  0.142419  
1 1 1 25 4  7  o 14.2248  0.101817  202.393      2.89665  202.17       4.09427  202.616      4.0987   14.2152  0.14401   14.2308  0.144008  
1 1 1 25 4  8  o 4.027    0.0618349 16.218       0.498018 17.0207      0.706104 15.4234      0.702516 4.1253   0.0855822 3.92693  0.0894484 
1 1 1 25 4  9  o 26.3634  0.185972  695.465      9.80572  699.383      13.7867  691.453      13.9495  26.4292  0.260822  26.2783  0.265419  
1 1 1 25 4  10 f 9.67601  0.0736465 93.6334      1.42521  94.4145      2.05543  92.9101      1.9779   9.71581  0.105778  9.63814  0.102608  
1 1 1 25 4  11 o 19.3021  0.132126  372.666      5.10062  370.439      7.10679  375.032      7.32488  19.2419  0.18467   19.3605  0.18917   
1 1 1 25 4  12 o 29.1524  0.203241  850.379      11.8499  849.034      16.7457  851.729      16.771   29.1201  0.287528  29.1663  0.287507  
1 1 1 25 4  13 o 16.913   0.121599  286.114      4.11322  281.812      5.87896  290.239      5.75691  16.7833  0.175143  17.0327  0.168996  
1 1 1 25 4  14 o 12.1096  0.0900746 146.66       2.18153  144.573      3.11126  148.678      3.05967  12.0223  0.129396  12.1918  0.125481  
1 1 1 25 4  15 o 7.19776  0.0746589 51.8128      1.07475  52.2573      1.56339  51.4146      1.4799   7.22816  0.108146  7.16971  0.103205  
1 1 1 25 4  16 o 10.5051  0.0878346 110.374      1.84542  111.703      2.62029  109.066      2.59948  10.5673  0.123981  10.4418  0.124474  
1 1 1 25 4  17 o 8.7788   0.0817098 77.0783      1.43463  79.8117      2.07405  74.5708      1.98652  8.93244  0.116097  8.63421  0.115038  
1 1 1 25 4  18 o 13.3194  0.103629  177.45       2.76055  180.242      3.92994  174.732      3.87859  13.422   0.146399  13.2153  0.146747  
1 1 1 25 4  19 o 8.85775  0.0964263 78.4792      1.70824  77.2624      2.32059  79.9186      2.52382  8.78784  0.132034  8.93732  0.141196  
1 1 1 25 4  20 o 17.6671  0.133346  312.296      4.71168  314.955      6.70294  309.7        6.6244   17.7372  0.188951  17.5887  0.188314  
1 1 1 25 4  21 o 8.29229  0.0980061 68.7873      1.62539  64.0293      2.19221  74.5963      2.42227  7.99894  0.137031  8.63365  0.140281  
1 1 1 25 4  22 o 9.80431  0.0929747 96.1645      1.82311  98.0437      2.59472  94.3322      2.56212  9.8976   0.131078  9.7084   0.131954  
1 1 1 25 4  23 o 3.96376  0.112149  15.7229      0.88906  15.4209      1.24989  16.0322      1.26489  3.92406  0.159259  4.00112  0.158067  
1 1 1 25 4  24 o 7.43403  0.0875229 55.2945      1.3013   56.5343      1.85131  54.0837      1.82951  7.51488  0.123176  7.35012  0.124454  
1 1 1 25 4  25 o 0.815485 0.327603  0.313053     0.816279 0.440145     1.15003  0.184016     1.1588   0.965792 0.388492  0.915171 0.381397  
1 1 1 25 4  26 o 1.88958  0.224837  3.59059      0.849694 3.59276      1.172    3.58819      1.23366  1.88534  0.310819  1.85295  0.34575   
1 1 1 25 4  27 o 1.72337  0.248811  2.99504      0.857589 1.99954      1.19711  4.04455      1.22915  1.38567  0.406044  1.99829  0.307552  
1 1 1 25 4  28 f 4.06473  0.120064  16.56        0.976056 15.7334      1.39109  17.3615      1.36986  3.95671  0.175788  4.15765  0.164739  
1 1 1 25 4  29 f 3.64645  0.128472  13.3389      0.936932 14.2681      1.31739  12.3878      1.33279  3.76625  0.174894  3.50746  0.189993  
1 1 1 25 4  30 o 5.96022  0.0966174 35.5975      1.15172  35.3927      1.63584  35.7987      1.62181  5.93681  0.137771  5.97112  0.135805  
1 1 1 25 4  31 o 1.73259  0.261337  3.05795      0.905582 1.83696      1.27818  4.28857      1.28321  1.33031  0.425651  2.04377  0.313932  
1 1 1 25 4  32 o 2.97232  0.162566  8.90817      0.966394 8.8414       1.40398  8.96829      1.33222  2.94702  0.238204  2.97109  0.224196  
1 1 1 25 4  33 o 2.12376  0.234537  4.59947      0.996201 5.58702      1.43024  3.66889      1.38837  2.32419  0.307685  1.83391  0.390196  
1 1 1 25 4  34 o 1.10129  0.360708  1.24419      0.915436 1.84409      1.27495  0.605777     1.31524  1.31742  0.425475  1.02514  0.414178  
1 1 1 25 4  35 o 3.35258  0.153563  11.3731      1.02966  10.9755      1.3856   11.8634      1.53873  3.27642  0.21145   3.40098  0.226219  
1 1 1 25 4  36 o 2.60032  0.192401  6.90747      1.00061  6.28657      1.34717  7.6715       1.4944   2.45392  0.274495  2.71028  0.275691  
1 1 1 25 4  37 o 2.23188  0.232829  5.16153      1.03929  6.1723       1.39447  3.89855      1.55878  2.41809  0.288342  1.83198  0.43196   
1 1 1 25 4  38 o 1.49854  0.364049  2.55939      1.08184  1.92065      1.52472  3.20697      1.53523  1.31052  0.463901  1.63649  0.453629  
1 1 1 25 4  39 o 0.663337 0.310768  -0.829972    1.03491  -0.381991    1.46356  -1.27798     1.4636   0.86675  0.39271   0.763838 0.360671  
1 1 1 25 4  40 o 1.15317  0.388853  1.56328      1.06387  2.66277      1.50176  0.45561      1.50733  1.43644  0.461558  0.976139 0.421778  
1 1 1 25 4  41 o 1.60442  0.328538  3.02516      1.01789  3.67152      1.48951  2.45884      1.39424  1.67476  0.439253  1.36492  0.445153  
1 1 1 25 4  42 o 1.18433  0.383836  1.84226      1.03696  2.97747      1.44765  0.646033     1.48605  1.43393  0.452406  0.94569  0.413733  
1 1 1 25 4  43 o 0.643763 0.307678  -0.822046    1.10786  -0.682776    1.55245  -0.966569    1.58146  0.769133 0.366789  0.750314 0.360756  
1 1 1 25 4  44 o 0.733963 0.338679  -0.00962581  1.16348  -0.596457    1.66935  0.54471      1.62247  0.768173 0.369661  0.87191  0.40141   
1 1 1 25 4  45 o 0.815706 0.367512  0.905163     1.26405  2.49224      1.76617  -0.761495    1.80991  1.01156  0.446446  0.716136 0.352687  
1 1 1 25 4  46 o 0.847412 0.376254  1.63177      1.2801   1.80823      1.79783  1.45031      1.82311  0.820224 0.392     0.789918 0.381588  
1 1 1 25 5  0  o 4.93988  0.0844104 24.4259      0.833405 24.4259      0.833405 24.4259      0.833405 4.94107  0.0596531 ?        ?         
1 1 1 25 5  1  o 19.7974  0.13815   392.121      5.47003  394.517      7.78391  389.785      7.68855  19.8529  0.19604   19.7336  0.194809  
1 1 1 25 5  2  o 7.41475  0.0604503 54.9835      0.896448 55.6621      1.26812  54.3058      1.26741  7.46003  0.0849945 7.36857  0.0860014 
1 1 1 25 5  3  o 11.1701  0.0780961 124.789      1.74468  126.483      2.49924  123.178      2.43664  11.2448  0.111129  11.0969  0.109789  
1 1 1 25 5  4  o 9.03942  0.0681098 81.7202      1.23135  82.4778      1.77387  81.0157      1.71063  9.08067  0.0976726 8.99988  0.0950362 
1 1 1 25 5  5  o 18.4902  0.131297  342.028      4.85541  342.905      6.95531  341.194      6.78116  18.5099  0.187881  18.464   0.183632  
1 1 1 25 5  6  o 19.6402  0.139197  385.911      5.46773  385.59       7.63728  386.248      7.83144  19.6277  0.194554  19.644   0.199334  
1 1 1 25 5  7  o 2.79462  0.0698683 7.81074      0.390511 8.11915      0.556279 7.51106      0.54834  2.84912  0.0976229 2.74033  0.10005   
1 1 1 25 5  8  o 15.7468  0.112215  248.02       3.53405  245.782      4.96637  250.315      5.03004  15.6736  0.158431  15.8175  0.159003  
1 1 1 25 5  9  o 5.06664  0.0585676 25.6723      0.593482 26.3963      0.848297 24.9782      0.830603 5.13743  0.0825604 4.99752  0.0831015 
1 1 1 25 5  10 o 7.9469   0.0652997 63.1573      1.03786  64.5266      1.47933  61.8301      1.45645  8.03231  0.092086  7.86268  0.0926181 
1 1 1 25 5  11 o 17.1205  0.122315  293.177      4.18819  291.229      5.76695  295.35       6.09245  17.0618  0.169002  17.1817  0.177294  
1 1 1 25 5  12 o 16.2651  0.115792  264.606      3.76675  264.049      5.3883   265.139      5.26771  16.2462  0.165833  16.2799  0.161786  
1 1 1 25 5  13 o 11.3108  0.0850249 127.947      1.92339  126.128      2.68604  129.862      2.75546  11.2294  0.119598  11.3944  0.120913  
1 1 1 25 5  14 o 21.9261  0.152916  480.935      6.7057   482.604      9.61899  479.357      9.35317  21.9595  0.219017  21.8859  0.21368   
1 1 1 25 5  15 o 24.9216  0.171366  621.429      8.54144  622.928      12.1208  619.95       12.0385  24.9446  0.242954  24.885   0.241882  
1 1 1 25 5  16 o 14.592   0.108801  212.977      3.17524  215.907      4.53632  210.163      4.44597  14.6901  0.1544    14.4935  0.153378  
1 1 1 25 5  17 o 11.5216  0.0919315 132.772      2.1184   132.754      2.95005  132.792      3.04389  11.5198  0.128043  11.5213  0.132098  
1 1 1 25 5  18 o 15.5191  0.123178  240.931      3.82323  238.987      5.42831  242.845      5.38566  15.4534  0.175635  15.5778  0.172863  
1 1 1 25 5  19 o 12.9768  0.105911  168.45       2.74878  170.241      3.95612  166.777      3.82206  13.0435  0.151651  12.9103  0.148024  
1 1 1 25 5  20 o 6.17984  0.0963082 38.2018      1.19034  35.9799      1.65445  40.5863      1.71392  5.9965   0.137951  6.36889  0.134554  
1 1 1 25 5  21 o 3.02313  0.145208  9.14718      0.877966 9.28064      1.21293  9.00029      1.27248  3.04392  0.199238  2.99726  0.212273  
1 1 1 25 5  22 o 8.07148  0.0881549 65.1743      1.42308  63.8071      1.96013  66.6982      2.0694   7.98491  0.122739  8.1636   0.126745  
1 1 1 25 5  23 o 5.52282  0.0913115 30.5169      1.00859  31.4287      1.42601  29.6042      1.42673  5.60338  0.127245  5.43814  0.131178  
1 1 1 25 5  24 o 1.00846  0.339023  0.959351     0.808678 0.276276     1.14493  1.63936      1.14236  0.930264 0.382636  1.27874  0.401579  
1 1 1 25 5  25 o 3.94403  0.115673  15.5755      0.912431 14.5362      1.25001  16.7607      1.33492  3.8077   0.164142  4.08874  0.163243  
1 1 1 25 5  26 o 10.1269  0.0970012 102.665      1.96465  100.311      2.64631  105.556      2.93256  10.0055  0.132243  10.262   0.142884  
1 1 1 25 5  27 o 4.70184  0.105776  22.1419      0.994682 21.4823      1.41467  22.7868      1.39885  4.62733  0.15286   4.76636  0.146742  
1 1 1 25 5  28 o 5.34083  0.102829  28.5743      1.09838  26.7543      1.5589   30.3686      1.54784  5.16265  0.150979  5.5017   0.140669  
1 1 1 25 5  29 o 1.32121  0.31522   1.85004      0.822498 1.2681       1.14867  2.46236      1.17827  1.16196  0.403488  1.51796  0.386888  
1 1 1 25 5  30 o 1.57759  0.260232  2.52728      0.821079 2.96292      1.16766  2.10118      1.15481  1.66598  0.360631  1.40427  0.3948    
1 1 1 25 5  31 o 5.22822  0.111287  27.4291      1.16366  28.4306      1.71331  26.5716      1.58545  5.31288  0.161242  5.1378   0.154292  
1 1 1 25 5  32 o 0.810393 0.332081  0.267657     0.859157 1.8468       1.24273  -1.17817     1.18911  1.32342  0.41933   0.702854 0.329968  
1 1 1 25 5  33 o 2.16121  0.236429  4.76422      1.02194  5.77133      1.43225  3.71971      1.4586   2.36348  0.302997  1.84166  0.406876  
1 1 1 25 5  34 o 3.6482   0.138723  13.4122      1.01218  12.4342      1.35762  14.6363      1.51877  3.49961  0.193967  3.79505  0.200099  
1 1 1 25 5  35 o 2.88015  0.170417  8.41746      0.981655 8.40135      1.33003  8.43673      1.4549   2.85955  0.232559  2.85802  0.254529  
1 1 1 25 5  36 o 2.09221  0.22918   4.51303      0.958984 5.34463      1.32539  3.59932      1.38928  2.25505  0.293871  1.785    0.399238  
1 1 1 25 5  37 o 1.58068  0.331547  2.77158      1.01462  3.93558      1.36014  1.31115      1.52351  1.86837  0.377202  1.18445  0.45542   
1 1 1 25 5  38 o 4.18601  0.14364   17.7997      1.20256  17.645       1.65934  17.9709      1.74525  4.13725  0.200536  4.16973  0.209276  
1 1 1 25 5  39 o 1.06163  0.385559  1.16686      1.05922  2.82019      1.52823  -0.361663    1.46942  1.51305  0.46235   0.869696 0.393798  
1 1 1 25 5  40 o 3.50747  0.164424  12.6998      1.15343  11.1008      1.61697  14.3564      1.6458   3.21279  0.251645  3.68099  0.223555  
1 1 1 25 5  41 o 0.651362 0.30594   -0.755087    1.02648  -0.0327225   1.49923  -1.39253     1.40835  0.883092 0.398928  0.709858 0.341094  
1 1 1 25 5  42 o 1.84888  0.286444  3.93474      1.0592   4.82831      1.48476  3.00874      1.51146  1.91709  0.400297  1.42588  0.46349   
1 1 1 25 5  43 o 0.661519 0.312179  -0.596734    1.09347  -1.03712     1.52191  -0.126816    1.57212  0.726708 0.350501  0.822407 0.384886  
1 1 1 25 5  44 o 0.874672 0.376108  0.895284     1.18763  3.19184      1.70369  -1.27561     1.65642  1.27423  0.483992  0.71174  0.348146  
1 1 1 25 5  45 o 0.683628 0.326627  -0.122535    1.24597  -0.13154     1.69527  -0.111958    1.83742  0.739454 0.359761  0.75322  0.368024  
1 1 1 25 5  46 o 0.762863 0.353458  1.05127      1.28412  -1.42331     1.80056  3.61269      1.83188  0.622042 0.313705  0.991116 0.444664  
1 1 1 25 6  0  o 9.27762  0.0985453 86.1134      1.82807  86.1134      1.82807  86.1134      1.82807  9.27867  0.0696653 ?        ?         
1 1 1 25 6  1  o 12.4007  0.0880139 153.805      2.18286  155.056      3.1473   152.646      3.03009  12.4497  0.126401  12.3527  0.122649  
1 1 1 25 6  2  o 14.8083  0.103831  219.342      3.07511  221.485      4.44109  217.368      4.26216  14.8783  0.149247  14.7397  0.144581  
1 1 1 25 6  3  o 11.4122  0.0839502 130.261      1.91612  130.927      2.7536   129.636      2.66803  11.4403  0.120346  11.3839  0.117184  
1 1 1 25 6  4  o 17.2358  0.124066  297.182      4.27675  299.364      6.08615  295.054      6.01103  17.2957  0.175944  17.1708  0.175036  
1 1 1 25 6  5  o 3.16741  0.0590126 10.0333      0.373834 10.2024      0.530324 9.86623      0.527055 3.19387  0.0830222 3.14079  0.0839047 
1 1 1 25 6  6  o 6.02407  0.0616123 36.2924      0.742313 37.9048      1.06955  34.7938      1.03108  6.15618  0.0868681 5.89813  0.0874076 
1 1 1 25 6  7  o 6.35305  0.0593825 40.364       0.754519 40.4553      1.05395  40.268       1.08065  6.36001  0.0828575 6.34525  0.0851546 
1 1 1 25 6  8  o 8.46005  0.0672704 71.5782      1.13822  72.0786      1.61221  71.081       1.60719  8.48922  0.094956  8.43026  0.0953224 
1 1 1 25 6  9  o 9.39164  0.0729423 88.2105      1.3701   86.8188      1.9018   89.7122      1.97551  9.31686  0.102062  9.47081  0.104295  
1 1 1 25 6  10 o 8.45218  0.0697052 71.4444      1.17832  72.5531      1.67153  70.3492      1.66131  8.51719  0.0981269 8.38683  0.0990428 
1 1 1 25 6  11 o 11.1818  0.0919949 125.049      2.05735  124.842      3.08584  125.215      2.76035  11.1717  0.13811   11.1887  0.123355  
1 1 1 25 6  12 o 12.3267  0.0892775 151.967      2.201    153.253      3.10738  150.672      3.11802  12.378   0.12552   12.2733  0.127024  
1 1 1 25 6  13 o 6.33589  0.0652018 40.1461      0.826223 40.0708      1.20073  40.2139      1.13865  6.32971  0.0948486 6.34105  0.0897843 
1 1 1 25 6  14 o 18.0546  0.129653  326.061      4.68167  324.332      6.58876  327.826      6.65347  18.004   0.182981  18.1006  0.183791  
1 1 1 25 6  15 o 23.795   0.161975  566.498      7.7084   567.336      11.0335  565.7        10.7738  23.8061  0.231736  23.7723  0.226604  
1 1 1 25 6  16 o 10.7411  0.0867753 115.39       1.86413  113.188      2.56602  117.852      2.71264  10.6373  0.120614  10.8542  0.124959  
1 1 1 25 6  17 o 6.34445  0.0786311 40.2576      0.997742 40.2412      1.36997  40.2761      1.45599  6.34276  0.107995  6.34541  0.114728  
1 1 1 25 6  18 o 3.10425  0.128912  9.64043      0.80035  10.5587      1.14275  8.75631      1.12129  3.24814  0.175908  2.95775  0.189551  
1 1 1 25 6  19 o 8.96845  0.0872141 80.4508      1.56435  79.4788      2.23482  81.3846      2.1905   8.91306  0.125368  9.01941  0.121433  
1 1 1 25 6  20 o 11.5465  0.10505   133.372      2.42593  132.893      3.4864   133.822      3.37773  11.5234  0.151274  11.5639  0.146046  
1 1 1 25 6  21 o 7.52978  0.0891263 56.7174      1.3422   57.3971      1.89135  56.0278      1.90505  7.57346  0.124867  7.48248  0.127301  
1 1 1 25 6  22 o 9.94925  0.0914431 99.0315      1.81958  102.861      2.60737  95.3954      2.54049  10.1377  0.128598  9.76271  0.130112  
1 1 1 25 6  23 o 2.83478  0.143748  8.04643      0.81499  8.41577      1.14589  7.66834      1.15937  2.89739  0.197744  2.76531  0.209628  
1 1 1 25 6  24 o 8.42931  0.0900975 71.098       1.51892  73.1258      2.13378  69.0149      2.16266  8.54614  0.124839  8.302    0.130249  
1 1 1 25 6  25 o 6.60644  0.0886929 43.6805      1.17189  42.4218      1.62755  45.0356      1.68874  6.508    0.125042  6.70542  0.125924  
1 1 1 25 6  26 o 1.34955  0.317704  1.91643      0.844274 3.2229       1.19808  0.627648     1.18993  1.75167  0.354367  1.01779  0.40007   
1 1 1 25 6  27 o 2.9762   0.146057  8.88498      0.86939  8.78023      1.23837  8.98679      1.22083  2.95376  0.209625  2.98879  0.204235  
1 1 1 25 6  28 f 4.80432  0.106429  23.1265      1.02264  24.7642      1.49269  21.678       1.40386  4.96664  0.150271  4.64677  0.151058  
1 1 1 25 6  29 o 2.19347  0.19252   4.84741      0.844572 5.42067      1.20022  4.28512      1.18868  2.31259  0.259496  2.05278  0.289529  
1 1 1 25 6  30 o 0.673534 0.300413  -0.317046    0.82531  -0.993546    1.17947  0.331935     1.15523  0.725811 0.337233  0.934227 0.384325  
1 1 1 25 6  31 o 2.99375  0.158421  9.02711      0.948546 7.95986      1.31677  10.1783      1.36757  2.79935  0.235191  3.1694   0.215746  
1 1 1 25 6  32 o 1.91887  0.229079  3.74658      0.879147 4.10164      1.22291  3.36681      1.26474  1.99382  0.306676  1.76414  0.370264  
1 1 1 25 6  33 o 4.57065  0.128092  21.015       1.17093  22.7758      1.68811  19.3823      1.62556  4.74502  0.177882  4.37501  0.185778  
1 1 1 25 6  34 o 4.07922  0.124491  16.7462      1.01565  16.2056      1.40351  17.3405      1.4716   4.00009  0.175435  4.13707  0.177855  
1 1 1 25 6  35 o 0.772175 0.331588  0.0298849    0.92094  0.0385811    1.24284  0.0192957    1.37145  0.887677 0.383265  0.924987 0.401031  
1 1 1 25 6  36 o 0.721379 0.320418  -0.2357      0.929555 -0.253009    1.28685  -0.216814    1.3442   0.849276 0.377142  0.873559 0.387     
1 1 1 25 6  37 o 2.2304   0.227273  5.15795      1.01382  6.03489      1.38621  4.14948      1.48654  2.38598  0.290491  1.9015   0.403152  
1 1 1 25 6  38 o 3.22403  0.170196  10.6266      1.09743  11.5528      1.52863  9.64149      1.57649  3.33191  0.229393  3.02681  0.26042   
1 1 1 25 6  39 o 0.921819 0.370718  0.634637     1.04686  0.355534     1.54492  0.871596     1.42351  0.988488 0.427058  1.05186  0.428642  
1 1 1 25 6  40 o 2.4549   0.219091  6.38003      1.07569  6.41595      1.53243  6.34513      1.51033  2.38779  0.320888  2.37723  0.317666  
1 1 1 25 6  41 f 0.878668 0.36428   0.583505     1.04859  0.907215     1.46566  0.244072     1.50084  1.0153   0.426352  0.917329 0.407337  
1 1 1 25 6  42 o 0.61592  0.295089  -0.971778    1.03489  -2.3906      1.43299  0.57491      1.49616  0.62393  0.308791  0.933153 0.411495  
1 1 1 25 6  43 o 0.888845 0.370416  0.874825     1.093    0.237587     1.52036  1.55645      1.57242  0.848953 0.389887  1.03916  0.439234  
1 1 1 25 6  44 o 0.691974 0.325731  -0.329073    1.1761   -0.587512    1.66712  -0.0730164   1.65942  0.761348 0.367118  0.804693 0.381841  
1 1 1 25 6  45 o 0.863124 0.377249  1.24637      1.23307  0.553914     1.71227  1.99233      1.7772   0.795878 0.380889  0.938701 0.427548  
1 1 1 25 7  0  o 1.3564   0.163652  1.91947      0.429336 1.91947      0.429336 1.91947      0.429336 1.3717   0.112397  ?        ?         
1 1 1 25 7  1  o 3.79885  0.0528004 14.4322      0.401161 14.7469      0.563442 14.1086      0.571295 3.83993  0.0733663 3.75588  0.0760534 
1 1 1 25 7  2  o 20.325   0.140331  413.299      5.70448  415.542      8.39408  411.375      7.77604  20.3745  0.205995  20.2735  0.191779  
1 1 1 25 7  3  o 13.6644  0.0998964 186.76       2.73005  188.76       3.89954  184.837      3.82334  13.7357  0.141949  13.5923  0.140644  
1 1 1 25 7  4  o 11.8496  0.0851835 140.437      2.01879  138.462      2.78782  142.615      2.92727  11.7651  0.118479  11.94    0.122582  
1 1 1 25 7  5  o 11.5552  0.082969  133.542      1.91744  132.603      2.69655  134.502      2.72706  11.5136  0.117103  11.5958  0.117589  
1 1 1 25 7  6  o 7.26316  0.0621319 52.7576      0.902548 51.5566      1.2794   53.9473      1.27341  7.17972  0.0890981 7.34433  0.0866937 
1 1 1 25 7  7  o 7.4723   0.0620996 55.8391      0.928053 56.3017      1.34456  55.4182      1.28256  7.50289  0.0896028 7.44383  0.0861494 
1 1 1 25 7  8  o 14.3362  0.101984  205.562      2.92413  207.187      4.12535  203.921      4.14542  14.3915  0.143326  14.2776  0.145173  
1 1 1 25 7  9  o 10.3085  0.080461  106.276      1.65887  108.594      2.36087  104.017      2.3314   10.4198  0.113288  10.1978  0.114309  
1 1 1 25 7  10 o 40.4999  0.284511  1642.19      23.0453  1652.22      32.4406  1631.97      32.7436  40.5991  0.399523  40.348   0.405765  
1 1 1 25 7  11 o 14.433   0.10279   208.345      2.96714  207.373      4.18763  209.324      4.20475  14.3981  0.145423  14.4657  0.145335  
1 1 1 25 7  12 o 13.0292  0.0967134 169.783      2.52019  172.362      3.611    167.334      3.51897  13.1268  0.137543  12.9339  0.136036  
1 1 1 25 7  13 o 12.7375  0.0945017 162.266      2.40742  163.27       3.39115  161.246      3.41823  12.7759  0.132717  12.6964  0.134614  
1 1 1 25 7  14 o 1.74599  0.150571  3.04975      0.525792 2.73718      0.726034 3.39449      0.762467 1.65371  0.219517  1.84169  0.207002  
1 1 1 25 7  15 o 12.757   0.0928972 162.769      2.37018  165.881      3.39763  159.819      3.30803  12.8772  0.131924  12.6398  0.130858  
1 1 1 25 7  16 o 7.9328   0.0770701 62.9373      1.22276  62.2515      1.71055  63.6541      1.74858  7.88896  0.108414  7.97732  0.109597  
1 1 1 25 7  17 o 28.8512  0.2046    833.203      11.8059  827.848      16.4113  838.946      16.9963  28.7449  0.285464  28.9353  0.293694  
1 1 1 25 7  18 o 10.9991  0.0956721 121.01       2.10462  122.778      3.00363  119.304      2.94986  11.0778  0.135569  10.92    0.135067  
1 1 1 25 7  19 o 12.2037  0.102297  148.978      2.4968   150.642      3.58706  147.414      3.4775   12.2697  0.146176  12.1377  0.143252  
1 1 1 25 7  20 o 18.9381  0.149254  358.944      5.65319  365.902      8.345    353.043      7.68531  19.1119  0.218319  18.7751  0.204668  
1 1 1 25 7  21 o 14.9046  0.119173  222.293      3.55245  223.385      5.06786  221.238      4.98112  14.9361  0.169652  14.8644  0.167552  
1 1 1 25 7  22 o 7.203    0.0904021 51.9067      1.30233  51.3496      1.78027  52.5479      1.91013  7.16281  0.124272  7.24552  0.131815  
1 1 1 25 7  23 o 7.40835  0.0862429 54.9106      1.27784  54.407       1.76238  55.4689      1.85547  7.37259  0.119523  7.44387  0.124631  
1 1 1 25 7  24 o 8.07207  0.0887816 65.2008      1.4333   67.1743      2.03752  63.2675      2.01663  8.19072  0.12438   7.94877  0.126852  
1 1 1 25 7  25 o 2.5458   0.163128  6.49942      0.830583 7.28846      1.18907  5.7476       1.16069  2.69279  0.220788  2.38998  0.242824  
1 1 1 25 7  26 o 3.64315  0.126715  13.2992      0.923279 12.8759      1.33158  13.6911      1.2813   3.58054  0.185947  3.69318  0.173468  
1 1 1 25 7  27 o 1.4394   0.289182  2.1702       0.803199 1.18687      1.13033  3.17313      1.14154  1.14004  0.399834  1.73775  0.340598  
1 1 1 25 7  28 o 4.13041  0.113605  17.0997      0.938471 17.1578      1.33644  17.0433      1.31815  4.13249  0.161699  4.11888  0.160013  
1 1 1 25 7  29 f 2.23547  0.186604  5.03337      0.834297 4.83629      1.21242  5.21063      1.14982  2.18189  0.277836  2.26773  0.253517  
1 1 1 25 7  30 o 3.66889  0.126859  13.5141      0.93086  13.9961      1.31713  13.0332      1.31574  3.72685  0.176709  3.59538  0.182976  
1 1 1 25 7  31 o 1.43859  0.310356  2.20668      0.867521 2.5898       1.22321  1.81896      1.23054  1.54523  0.39441   1.31821  0.417228  
1 1 1 25 7  32 o 1.12378  0.354067  1.31332      0.887082 0.63198      1.21661  2.08674      1.29622  1.00831  0.401927  1.3923   0.425883  
1 1 1 25 7  33 o 0.747424 0.324544  -0.0828026   0.900792 1.24665      1.2673   -1.44036     1.28063  1.16179  0.421753  0.707914 0.335692  
1 1 1 25 7  34 o 1.48353  0.309218  2.3713       0.887323 1.77522      1.22578  3.02751      1.28612  1.28975  0.417255  1.65334  0.39399   
1 1 1 25 7  35 o 0.844419 0.346061  0.342511     0.933118 -0.122299    1.2518   0.923758     1.39983  0.86265  0.378546  1.09804  0.433189  
1 1 1 25 7  36 o 2.05462  0.241605  4.37253      0.992809 3.45377      1.33613  5.50514      1.4835   1.74786  0.391943  2.27268  0.326375  
1 1 1 25 7  37 o 3.17734  0.170978  10.3143      1.08651  10.2046      1.46343  10.449       1.62186  3.13199  0.233627  3.15651  0.256908  
1 1 1 25 7  38 o 1.55868  0.339183  2.73918      1.02788  3.17363      1.44884  2.29893      1.45848  1.6303   0.435815  1.39542  0.455294  
1 1 1 25 7  39 o 0.736093 0.330681  -0.248199    1.01603  -1.21394     1.48424  0.603405     1.39378  0.770662 0.363691  0.991865 0.416105  
1 1 1 25 7  40 o 0.809113 0.347281  0.231547     1.00933  0.365451     1.45866  0.108536     1.39807  0.945483 0.411802  0.892829 0.395217  
1 1 1 25 7  41 o 1.11633  0.382434  1.53905      1.02903  2.07592      1.42077  0.946675     1.49242  1.24788  0.447194  1.02044  0.429449  
1 1 1 25 7  42 o 0.727973 0.327666  -0.0415091   1.00237  -1.17461     1.39222  1.17806      1.44436  0.704121 0.338531  1.0217   0.425798  
1 1 1 25 7  43 o 1.11034  0.39714   1.83307      1.12004  2.91728      1.54473  0.631224     1.62637  1.29929  0.466227  0.902925 0.41065   
1 1 1 25 7  44 o 0.600525 0.293493  -1.16532     1.17055  -0.803652    1.64895  -1.53271     1.66195  0.730026 0.35506   0.682913 0.336665  
1 1 1 25 7  45 o 0.652418 0.314646  -0.436809    1.22587  -0.679159    1.68244  -0.162529    1.78984  0.704453 0.346367  0.750702 0.366103  
1 1 1 25 8  0  o 7.15588  0.0835347 51.2317      1.19516  51.2317      1.19516  51.2317      1.19516  7.15675  0.0590517 ?        ?         
1 1 1 25 8  1  o 6.5866   0.0572695 43.3866      0.754423 42.8705      1.04687  43.9443      1.08815  6.54706  0.0799499 6.62852  0.0820812 
1 1 1 25 8  2  o 20.5769  0.143622  423.612      5.91061  425.945      8.40616  421.33       8.31235  20.6284  0.203752  20.5164  0.202578  
1 1 1 25 8  3  o 17.5336  0.119296  307.523      4.18337  307.538      5.85863  307.508      5.97546  17.5312  0.167091  17.5302  0.170434  
1 1 1 25 8  4  o 10.5432  0.0759006 111.172      1.60047  109.301      2.25747  113.063      2.26938  10.4534  0.107977  10.6318  0.106726  
1 1 1 25 8  5  o 12.9304  0.0934197 167.225      2.41592  163.817      3.43149  170.574      3.40195  12.7968  0.134076  13.0582  0.130261  
1 1 1 25 8  6  o 6.97449  0.0635435 48.6471      0.886367 51.6594      1.38332  46.549       1.1545   7.18683  0.0962401 6.82223  0.0846133 
1 1 1 25 8  7  o 13.5246  0.0989001 182.945      2.67517  182.718      3.83166  183.161      3.73665  13.515   0.141756  13.5315  0.138073  
1 1 1 25 8  8  o 10.3432  0.0808891 106.992      1.6733   105.265      2.2828   108.998      2.45992  10.2589  0.11126   10.4391  0.117823  
1 1 1 25 8  9  o 17.985   0.129012  323.538      4.64056  321.436      6.60462  325.588      6.52165  17.9241  0.184238  18.0397  0.180758  
1 1 1 25 8  10 o 11.4793  0.0836374 131.788      1.92019  131.857      2.75499  131.722      2.67778  11.4817  0.119974  11.4758  0.11667   
1 1 1 25 8  11 o 2.9396   0.0760349 8.642        0.447024 8.84973      0.634841 8.43771      0.629568 2.97459  0.106711  2.90451  0.108378  
1 1 1 25 8  12 o 2.05133  0.113959  4.20877      0.467535 4.66947      0.674232 3.78207      0.648885 2.16049  0.156037  1.94434  0.166865  
1 1 1 25 8  13 o 24.9954  0.171374  625.079      8.56712  627.599      12.1728  622.605      12.0594  25.0392  0.243076  24.9395  0.241774  
1 1 1 25 8  14 o 3.31074  0.0846498 10.9625      0.560507 10.7876      0.775689 11.1536      0.810832 3.28401  0.118101  3.33923  0.12141   
1 1 1 25 8  15 o 17.0097  0.120446  289.418      4.09749  290.292      5.80921  288.553      5.78035  17.0328  0.17053   16.9817  0.170193  
1 1 1 25 8  16 o 9.75044  0.0877018 95.087       1.71026  96.1214      2.37522  93.9733      2.46461  9.80257  0.121153  9.69226  0.127143  
1 1 1 25 8  17 o 13.1885  0.105808  173.983      2.79088  171.951      3.83581  176.269      4.06823  13.1096  0.146298  13.2728  0.153254  
1 1 1 25 8  18 o 13.3204  0.10929   177.492      2.91157  180.41       4.16283  174.696      4.07378  13.4272  0.155015  13.2129  0.154159  
1 1 1 25 8  19 o 8.56599  0.0913172 73.3955      1.56445  71.8662      2.15449  75.1012      2.27537  8.47523  0.127105  8.66374  0.131316  
1 1 1 25 8  20 o 9.17237  0.091094  84.1598      1.6711   84.1501      2.32309  84.1703      2.40564  9.17042  0.126662  9.17131  0.13115   
1 1 1 25 8  21 o 9.76399  0.100189  95.382       1.95649  93.8118      2.71363  97.0819      2.82343  9.68101  0.140152  9.84808  0.143349  
1 1 1 25 8  22 o 16.1668  0.123465  261.595      3.99205  266.051      5.69505  257.291      5.59745  16.2966  0.174731  16.0261  0.174635  
1 1 1 25 8  23 o 6.58991  0.0879234 43.4504      1.15881  44.4129      1.67729  42.5714      1.60287  6.66057  0.125912  6.52119  0.122897  
1 1 1 25 8  24 o 3.25497  0.130559  10.6109      0.849933 10.2444      1.1935   10.988       1.21066  3.19573  0.186734  3.30989  0.182885  
1 1 1 25 8  25 o 6.48314  0.0924646 42.0705      1.19892  40.8444      1.64107  43.4741      1.7558   6.38519  0.128506  6.58708  0.133276  
1 1 1 25 8  26 o 5.86588  0.092774  34.4476      1.0884   34.4858      1.57238  34.4124      1.50809  5.86551  0.134036  5.85981  0.128681  
1 1 1 25 8  27 o 2.36892  0.178835  5.63941      0.84729  5.65919      1.24366  5.62227      1.15748  2.36621  0.262794  2.36011  0.245217  
1 1 1 25 8  28 o 2.13528  0.202229  4.59406      0.86363  4.97297      1.23328  4.22946      1.20978  2.21408  0.278507  2.03993  0.296524  
1 1 1 25 8  29 o 2.49565  0.167469  6.2653       0.835887 5.96707      1.15687  6.59107      1.20911  2.42831  0.238204  2.55229  0.236867  
1 1 1 25 8  30 o 4.28906  0.119122  18.4633      1.02184  17.7776      1.3877   19.2755      1.51027  4.20167  0.165136  4.3737   0.172654  
1 1 1 25 8  31 o 4.17576  0.121677  17.5151      1.01619  19.6457      1.48978  15.6613      1.38965  4.41339  0.16878   3.93896  0.176398  
1 1 1 25 8  32 o 0.861515 0.344407  0.42774      0.895912 0.228934     1.26859  0.62556      1.26544  0.94132  0.396035  1.0193   0.408554  
1 1 1 25 8  33 o 3.11971  0.154084  9.82234      0.961394 8.50041      1.35082  11.1793      1.36858  2.88497  0.234114  3.3162   0.206348  
1 1 1 25 8  34 o 2.64323  0.17558   7.08906      0.928194 7.68913      1.29678  6.45866      1.32915  2.73679  0.236917  2.4999   0.26584   
1 1 1 25 8  35 o 3.50149  0.150713  12.4163      1.05544  13.9684      1.44381  10.6351      1.54674  3.69801  0.195214  3.20917  0.240987  
1 1 1 25 8  36 o 3.63664  0.149329  13.41        1.08611  12.8949      1.46474  14.0393      1.61878  3.54329  0.206692  3.69108  0.219282  
1 1 1 25 8  37 o 1.0953   0.375042  1.27521      0.989638 -0.0977647   1.34264  2.90851      1.4644   0.88153  0.38913   1.56495  0.446071  
1 1 1 25 8  38 o 2.16105  0.239471  4.89733      1.03502  6.06248      1.45688  3.71         1.47069  2.3693   0.307449  1.76793  0.421324  
1 1 1 25 8  39 o 1.14078  0.379259  1.49561      1.01202  0.656413     1.44331  2.30724      1.41941  1.00727  0.423041  1.36665  0.449155  
1 1 1 25 8  40 o 0.872732 0.35799   0.549927     0.999465 1.29851      1.42453  -0.17583     1.40264  1.10525  0.43669   0.851797 0.385269  
1 1 1 25 8  41 o 0.737663 0.332116  -0.115568    1.03048  -0.161508    1.4029   -0.0617377   1.51861  0.832437 0.379341  0.871323 0.39642   
1 1 1 25 8  42 f 0.813446 0.348934  0.420686     1.0179   -0.429603    1.45255  1.24115      1.42685  0.791056 0.370126  1.02815  0.425512  
1 1 1 25 8  43 o 0.756747 0.342311  0.178898     1.10755  1.28093      1.58611  -0.869792    1.54725  0.979025 0.427882  0.732258 0.353235  
1 1 1 25 8  44 o 0.82235  0.362661  0.81119      1.16242  1.32933      1.63333  0.279403     1.6547   0.915567 0.414843  0.804224 0.381467  
1 1 1 25 8  45 o 0.747913 0.345074  0.46264      1.20736  -0.0986674   1.66883  1.0791       1.7489   0.741258 0.359475  0.845872 0.397893  
1 1 1 25 9  0  f 21.1193  0.219342  446.401      9.26245  446.401      9.26245  446.401      9.26245  21.1237  0.155047  ?        ?         
1 1 1 25 9  1  o 10.5256  0.0808226 110.805      1.70142  111.372      2.38759  110.219      2.4252   10.5518  0.113136  10.497   0.115518  
1 1 1 25 9  2  o 24.5983  0.167248  605.428      8.22801  609.056      11.7051  601.885      11.5685  24.6644  0.237287  24.5189  0.235909  
1 1 1 25 9  3  o 10.2037  0.0773673 104.128      1.57886  105.192      2.28328  103.152      2.18562  10.255   0.111325  10.1552  0.107611  
1 1 1 25 9  4  o 21.1355  0.147718  446.897      6.24422  443.049      8.75562  450.879      8.90766  21.0399  0.208072  21.2249  0.20984   
1 1 1 25 9  5  o 8.68519  0.0692056 75.4389      1.20213  74.7045      1.69988  76.1736      1.70025  8.64242  0.0983451 8.72699  0.0974132 
1 1 1 25 9  6  o 20.6265  0.147757  425.611      6.09543  428.175      8.66763  423.101      8.57363  20.6846  0.209519  20.5618  0.208485  
1 1 1 25 9  7  o 11.1576  0.0965584 124.511      2.15473  123.592      3.09679  125.374      3.00001  11.1155  0.139301  11.1954  0.133983  
1 1 1 25 9  8  o 10.1288  0.0781894 102.601      1.58393  104.076      2.28294  101.233      2.19941  10.2008  0.1119    10.0605  0.109309  
1 1 1 25 9  9  o 3.03637  0.0702384 9.2202       0.426539 9.3899       0.617195 9.06505      0.590149 3.06406  0.100715  3.0106   0.0980117 
1 1 1 25 9  10 o 18.0033  0.122452  324.192      4.40909  327.641      6.30255  320.887      6.17034  18.0967  0.174135  17.9093  0.172267  
1 1 1 25 9  11 o 15.5685  0.108677  242.422      3.38389  242.79       4.85381  242.074      4.72007  15.5788  0.155782  15.556   0.151712  
1 1 1 25 9  12 o 29.6824  0.202234  881.618      12.0055  885.484      17.0458  877.812      16.9119  29.7372  0.286607  29.6082  0.285594  
1 1 1 25 9  13 o 13.1109  0.0945991 171.923      2.48056  173.547      3.50129  170.287      3.51482  13.1716  0.132911  13.0472  0.134696  
1 1 1 25 9  14 o 16.6627  0.116595  277.721      3.88557  277.634      5.43346  277.812      5.55874  16.6578  0.16309   16.663   0.166799  
1 1 1 25 9  15 o 2.55098  0.116253  6.50936      0.593116 7.15192      0.837228 5.86198      0.840366 2.67361  0.156573  2.42037  0.173603  
1 1 1 25 9  16 o 15.6046  0.11666   243.577      3.64087  248.576      5.28805  239.072      5.02031  15.7612  0.167755  15.4573  0.162393  
1 1 1 25 9  17 o 6.74022  0.0858428 45.4391      1.1572   44.7123      1.61955  46.1972      1.65405  6.68547  0.121125  6.79557  0.121701  
1 1 1 25 9  18 o 12.0747  0.100957  145.84       2.43804  144.456      3.30219  147.499      3.61477  12.0157  0.137412  12.141   0.148866  
1 1 1 25 9  19 o 8.4238   0.0990436 70.9837      1.66865  71.2569      2.43067  70.7402      2.29483  8.43844  0.144023  8.40809  0.136466  
1 1 1 25 9  20 o 10.8598  0.096686  117.982      2.09997  119.549      2.90902  116.277      3.03458  10.9296  0.13308   10.7785  0.140769  
1 1 1 25 9  21 o 5.07578  0.0956761 25.7757      0.971261 27.3658      1.34323  24.0333      1.40607  5.22901  0.12844   4.89979  0.143482  
1 1 1 25 9  22 o 7.10114  0.0875408 50.4498      1.24328  49.6177      1.73324  51.3318      1.7844   7.04071  0.123087  7.16121  0.124588  
1 1 1 25 9  23 f 8.51716  0.0910689 72.5864      1.5513   73.9597      2.24289  71.327       2.14791  8.59451  0.130484  8.44042  0.12724   
1 1 1 25 9  24 o 6.26254  0.0867276 39.2477      1.08627  38.7198      1.51634  39.8043      1.55689  6.21809  0.12193   6.30447  0.123476  
1 1 1 25 9  25 o 2.02362  0.211795  4.11588      0.857184 3.43646      1.17368  4.89257      1.25488  1.81394  0.336139  2.20176  0.284971  
1 1 1 25 9  26 o 0.849251 0.327742  0.480576     0.790539 0.543682     1.15154  0.424323     1.08721  0.98592  0.391649  0.938062 0.377569  
1 1 1 25 9  27 o 5.49468  0.0959812 30.2364      1.05477  29.6528      1.48372  30.8326      1.49976  5.43721  0.136441  5.54446  0.135249  
1 1 1 25 9  28 o 4.45233  0.107712  19.8678      0.959135 20.7554      1.35447  18.9749      1.35839  4.54607  0.148971  4.34577  0.156288  
1 1 1 25 9  29 o 1.42144  0.290594  2.13028      0.797589 2.64725      1.10644  1.57104      1.15079  1.57488  0.359115  1.24615  0.404404  
1 1 1 25 9  30 o 1.49316  0.297343  2.35792      0.856465 3.59893      1.16916  0.920728     1.25818  1.84457  0.328726  1.09115  0.415495  
1 1 1 25 9  31 o 1.59296  0.264194  2.59272      0.841701 3.10751      1.21578  2.11885      1.16645  1.69631  0.368669  1.40109  0.397715  
1 1 1 25 9  32 o 2.40117  0.199023  5.84783      0.955775 4.34844      1.35469  7.33391      1.34867  2.04503  0.331216  2.67752  0.25185   
1 1 1 25 9  33 o 1.81056  0.242378  3.3545       0.877681 4.10238      1.21968  2.55132      1.26396  1.98861  0.306666  1.52074  0.407302  
1 1 1 25 9  34 o 1.17008  0.349328  1.47877      0.879206 1.22464      1.21423  1.75886      1.27474  1.13531  0.41276   1.28349  0.42565   
1 1 1 25 9  35 o 1.12121  0.368168  1.33054      0.953694 0.560362     1.28859  2.26338      1.41816  0.994253 0.406935  1.41652  0.447862  
1 1 1 25 9  36 o 1.75803  0.2777    3.24453      0.976412 2.27807      1.30643  4.46757      1.46965  1.41089  0.426759  1.99583  0.381805  
1 1 1 25 9  37 o 1.38608  0.354701  2.17925      0.987409 3.15543      1.3428   1.02998      1.45699  1.64539  0.409243  1.10897  0.440537  
1 1 1 25 9  38 o 2.67273  0.193942  7.37868      1.03671  7.94922      1.47841  6.82672      1.45414  2.73352  0.270422  2.52292  0.288186  
1 1 1 25 9  39 o 1.30674  0.370399  2.03162      1.01243  1.78669      1.43839  2.27211      1.42528  1.23204  0.449117  1.35016  0.450083  
1 1 1 25 9  40 o 0.662712 0.307708  -0.574887    0.979867 -0.928289    1.38019  -0.215745    1.39136  0.752478 0.353818  0.840986 0.381771  
1 1 1 25 9  41 o 0.67429  0.313552  -0.510405    1.0223   -1.1619      1.39081  0.255281     1.50778  0.715014 0.342451  0.904809 0.40474   
1 1 1 25 9  42 o 1.00649  0.376514  1.26753      1.02065  1.19856      1.45345  1.33463      1.43359  1.01625  0.425561  1.0399   0.42802   
1 1 1 25 9  43 o 0.557564 0.274944  -1.64536     1.11031  -1.74485     1.58358  -1.54916     1.55717  0.672565 0.331249  0.680083 0.334011  
1 1 1 25 9  44 o 0.777463 0.351392  0.583715     1.16471  0.00307375   1.6356   1.18104      1.65894  0.767663 0.368557  0.884579 0.406676  
1 1 1 25 9  45 o 0.79837  0.360156  0.89381      1.21777  0.00845796   1.698    1.83149      1.74745  0.741918 0.360673  0.907664 0.417329  
1 1 1 25 10 0  f 15.4679  0.151904  239.378      4.69823  239.378      4.69823  239.378      4.69823  15.4698  0.107387  ?        ?         
1 1 1 25 10 1  o 6.03041  0.0567442 36.3681      0.684381 38.2784      1.04761  34.9459      0.903928 6.18652  0.0846691 5.91117  0.0764594 
1 1 1 25 10 2  o 20.1396  0.14083   405.756      5.67253  405.176      8.0122   406.339      8.03216  20.1214  0.199097  20.1502  0.199307  
1 1 1 25 10 3  o 11.6855  0.0886032 136.57       2.07074  137.802      2.99415  135.44       2.86693  11.7372  0.12755   11.6362  0.12319   
1 1 1 25 10 4  o 11.5307  0.0892718 132.975      2.05873  132.296      2.98208  133.594      2.84567  11.5003  0.129653  11.5567  0.123118  
1 1 1 25 10 5  o 20.2391  0.145261  409.763      5.87987  408.711      8.50504  410.726      8.1379   20.209   0.210427  20.2595  0.200842  
1 1 1 25 10 6  o 13.1137  0.0950016 171.993      2.49164  169.586      3.48383  174.514      3.565    13.0207  0.133781  13.2085  0.134951  
1 1 1 25 10 7  o 17.8917  0.12775   320.191      4.57134  320.26       6.54273  320.124      6.38969  17.8913  0.182846  17.8877  0.178605  
1 1 1 25 10 8  o 3.31573  0.0684503 10.9948      0.453925 10.938       0.652011 11.0482      0.632334 3.30702  0.0985798 3.32366  0.0951261 
1 1 1 25 10 9  o 16.2313  0.113355  263.506      3.6798   259.778      5.1394   267.426      5.27115  16.1145  0.159465  16.35    0.161198  
1 1 1 25 10 10 o 5.36326  0.0615469 28.7662      0.660185 29.9871      0.943742 27.5962      0.923861 5.47574  0.0861749 5.2529   0.0879381 
1 1 1 25 10 11 o 4.65526  0.0634993 21.6728      0.591212 22.1206      0.845957 21.2453      0.826579 4.70296  0.0899388 4.60897  0.0896707 
1 1 1 25 10 12 o 17.3013  0.119915  299.409      4.14939  301.606      5.84977  297.185      5.88667  17.3625  0.168459  17.2347  0.17078   
1 1 1 25 10 13 o 16.4164  0.113676  269.567      3.73232  272.419      5.32465  266.812      5.23312  16.501   0.161344  16.3303  0.160227  
1 1 1 25 10 14 o 15.5116  0.109747  240.671      3.4047   241.668      4.78325  239.646      4.84732  15.5419  0.153883  15.4766  0.156602  
1 1 1 25 10 15 o 5.21814  0.0756329 27.2324      0.789326 28.458       1.12129  26.0284      1.11132  5.33396  0.105109  5.10114  0.108929  
1 1 1 25 10 16 o 8.54494  0.0806395 73.0272      1.37812  71.6034      1.93747  74.4852      1.96064  8.46056  0.1145    8.62915  0.113606  
1 1 1 25 10 17 o 3.05011  0.126615  9.30714      0.772378 8.72769      1.05214  9.98437      1.13746  2.95301  0.178147  3.15843  0.180067  
1 1 1 25 10 18 o 3.50599  0.121023  12.2974      0.848611 12.5535      1.13208  11.9689      1.28211  3.54172  0.159821  3.45781  0.185393  
1 1 1 25 10 19 o 6.03587  0.0976034 36.4444      1.17824  39.3462      1.72005  33.8789      1.61727  6.2705   0.137154  5.81851  0.138977  
1 1 1 25 10 20 o 10.536   0.0987406 111.058      2.08067  109.976      2.94637  112.134      2.93867  10.4822  0.140542  10.5846  0.138818  
1 1 1 25 10 21 o 6.81148  0.0878734 46.4158      1.1971   46.8281      1.68242  45.993       1.70368  6.8403   0.122978  6.77891  0.12566   
1 1 1 25 10 22 o 7.04743  0.0880124 49.6911      1.24052  50.2389      1.77918  49.1728      1.73056  7.0843   0.125572  7.00885  0.123455  
1 1 1 25 10 23 o 1.28247  0.305129  1.7233       0.772344 2.27265      1.05955  1.10046      1.1282   1.47078  0.362134  1.12252  0.398874  
1 1 1 25 10 24 f 1.20942  0.314258  1.53285      0.766927 1.77793      1.05924  1.26281      1.11187  1.3106   0.381276  1.16218  0.397529  
1 1 1 25 10 25 o 3.91927  0.122669  15.3882      0.961547 18.1381      1.39944  12.929       1.32341  4.25201  0.164562  3.58839  0.184401  
1 1 1 25 10 26 o 4.24647  0.107541  18.0624      0.913343 17.9716      1.27957  18.1566      1.3041   4.23235  0.151166  4.25388  0.153284  
1 1 1 25 10 27 o 6.28254  0.0930636 39.5282      1.16935  38.456       1.64628  40.6201      1.66125  6.19196  0.132937  6.36414  0.130517  
1 1 1 25 10 28 o 4.43458  0.105339  19.7092      0.934268 20.581       1.33601  18.8748      1.30698  4.52681  0.147566  4.33471  0.150757  
1 1 1 25 10 29 o 3.45997  0.127344  12.0161      0.881214 13.4754      1.2717   10.6681      1.22222  3.65822  0.173814  3.25305  0.187858  
1 1 1 25 10 30 o 1.0718   0.347154  1.16063      0.848324 2.18272      1.15993  -0.0147758   1.24389  1.42419  0.394135  0.894829 0.384849  
1 1 1 25 10 31 o 4.17801  0.118398  17.5344      0.989333 19.0263      1.44082  16.2035      1.36086  4.34248  0.165898  4.00657  0.169828  
1 1 1 25 10 32 o 2.12736  0.227849  4.60983      0.969434 6.83378      1.40772  2.60375      1.33699  2.57966  0.272849  1.53876  0.421968  
1 1 1 25 10 33 o 3.80935  0.129177  14.6081      0.98416  14.2629      1.35367  14.995       1.43337  3.75209  0.180389  3.8455   0.186369  
1 1 1 25 10 34 o 0.842194 0.340002  0.394129     0.885371 1.00352      1.22708  -0.267645    1.27873  1.08242  0.410865  0.850798 0.377118  
1 1 1 25 10 35 o 2.20969  0.217635  5.01764      0.961812 5.65201      1.33724  4.33773      1.38441  2.3218   0.287974  1.98294  0.362559  
1 1 1 25 10 36 f 2.44026  0.199712  6.11305      0.974696 6.08218      1.32551  6.14939      1.43823  2.40603  0.275457  2.40919  0.298489  
1 1 1 25 10 37 o 2.744    0.191036  7.73842      1.04841  5.54877      1.40909  10.4537      1.56914  2.27397  0.30983   3.15994  0.248286  
1 1 1 25 10 38 o 0.675835 0.310862  -0.55627     0.970645 -0.926841    1.38214  -0.195657    1.36345  0.775311 0.362091  0.863519 0.385612  
1 1 1 25 10 39 o 1.90239  0.277239  3.93695      1.05483  3.84922      1.47718  4.02823      1.50677  1.76009  0.424032  1.80159  0.424628  
1 1 1 25 10 40 o 0.672214 0.310799  -0.513735    0.986098 -1.38901     1.43333  0.272834     1.35876  0.721304 0.345989  0.901118 0.394914  
1 1 1 25 10 41 o 0.750553 0.336847  -0.0328116   1.05201  -0.906054    1.45164  0.933119     1.52674  0.751597 0.356878  1.00148  0.428391  
1 1 1 25 10 42 o 0.742874 0.334442  0.0354656    1.0448   -0.658807    1.46554  0.752997     1.48989  0.759846 0.359747  0.936885 0.412039  
1 1 1 25 10 43 o 0.641289 0.307286  -0.733841    1.12318  -1.10766     1.58672  -0.358411    1.59013  0.716185 0.348318  0.778851 0.371374  
1 1 1 25 10 44 o 0.91569  0.381037  1.41891      1.15392  1.52244      1.61754  1.31163      1.64663  0.913617 0.413455  0.888362 0.40705   
1 1 1 25 10 45 o 0.900577 0.383802  1.62706      1.21748  0.509149     1.65595  2.94224      1.79613  0.759913 0.366294  1.00446  0.445871  
1 1 1 25 11 0  o 6.21304  0.0871776 38.6273      1.0828   38.6273      1.0828   38.6273      1.0828   6.21406  0.06162   ?        ?         
1 1 1 25 11 1  o 2.81184  0.0636711 7.90702      0.358066 8.29012      0.515782 7.55063      0.497479 2.87905  0.089575  2.74764  0.0905283 
1 1 1 25 11 2  o 4.71268  0.0533593 22.2104      0.50293  22.3261      0.724507 22.1028      0.698697 4.7248   0.0766706 4.70114  0.0743115 
1 1 1 25 11 3  o 39.4078  0.269813  1554.87      21.2655  1567.12      30.6524  1543.51      29.5271  39.5362  0.38765   39.2402  0.376235  
1 1 1 25 11 4  o 15.7079  0.1117    246.788      3.50914  249.829      5.14504  244.143      4.79841  15.8025  0.162791  15.6221  0.153578  
1 1 1 25 11 5  o 13.701   0.101436  187.747      2.77954  185.438      3.99125  189.921      3.87313  13.6152  0.146573  13.779   0.140544  
1 1 1 25 11 6  o 14.9618  0.108471  223.895      3.24584  226.196      4.69744  221.793      4.49019  15.0371  0.156195  14.8902  0.150777  
1 1 1 25 11 7  o 8.04505  0.0654761 64.7269      1.05352  64.2428      1.46574  65.2444      1.5153   8.01466  0.0914409 8.07687  0.0938047 
1 1 1 25 11 8  o 7.85782  0.074949  61.7504      1.17787  62.7769      1.69834  60.7991      1.63499  7.9225   0.107184  7.79673  0.104851  
1 1 1 25 11 9  o 7.63123  0.0651151 58.2394      0.993817 57.7046      1.41539  58.7595      1.39575  7.59585  0.0931688 7.66499  0.0910473 
1 1 1 25 11 10 o 12.4121  0.0912316 154.081      2.26476  156.457      3.28806  151.936      3.12395  12.5066  0.131453  12.3247  0.126735  
1 1 1 25 11 11 o 9.80015  0.0758532 96.0519      1.48675  97.7925      2.11732  94.359       2.08814  9.88807  0.107064  9.71292  0.107493  
1 1 1 25 11 12 o 21.7281  0.146542  472.295      6.36814  470.732      8.98023  473.875      9.03182  21.6878  0.207034  21.76    0.207532  
1 1 1 25 11 13 o 11.7417  0.0874806 137.889      2.05434  140.379      2.97887  135.63       2.83688  11.8462  0.125731  11.6443  0.121814  
1 1 1 25 11 14 o 4.06403  0.0775594 16.5184      0.630407 17.2851      0.89524  15.7643      0.887866 4.15702  0.107678  3.9699   0.111825  
1 1 1 25 11 15 o 3.60479  0.0948725 12.9971      0.683991 12.7475      0.944659 13.2722      0.991672 3.56967  0.132318  3.64234  0.136131  
1 1 1 25 11 16 o 16.7557  0.125908  280.866      4.21938  284.025      6.17503  278.099      5.77886  16.8459  0.183279  16.67    0.173331  
1 1 1 25 11 17 o 4.7543   0.0931582 22.6089      0.885805 21.9808      1.24394  23.2551      1.26168  4.6872   0.132696  4.82118  0.130847  
1 1 1 25 11 18 o 11.8926  0.100787  141.481      2.39725  143.663      3.29231  139.018      3.49743  11.9824  0.137382  11.7865  0.148366  
1 1 1 25 11 19 o 2.50571  0.167719  6.28557      0.840509 6.30298      1.20967  6.26932      1.16871  2.50765  0.241196  2.50113  0.233636  
1 1 1 25 11 20 o 7.64593  0.0866548 58.4815      1.32511  58.5629      1.87638  58.4005      1.87161  7.64984  0.122642  7.63923  0.1225    
1 1 1 25 11 21 o 4.32786  0.101979  18.7416      0.882701 19.1663      1.20759  18.2544      1.29349  4.37553  0.137993  4.2697   0.151473  
1 1 1 25 11 22 o 7.93435  0.0884472 62.9876      1.40354  61.1923      1.90444  65.122       2.07652  7.81853  0.12179   8.06519  0.128733  
1 1 1 25 11 23 o 2.6554   0.145017  7.06383      0.770159 6.43041      1.07139  7.74113      1.10787  2.53096  0.211656  2.77754  0.199433  
1 1 1 25 11 24 o 1.44444  0.283147  2.17536      0.788816 1.28549      1.07367  3.21904      1.16276  1.16112  0.39064   1.75397  0.34372   
1 1 1 25 11 25 o 3.03788  0.13538   9.25009      0.822535 9.50959      1.16552  8.99261      1.16097  3.07679  0.189406  2.99165  0.194035  
1 1 1 25 11 26 o 4.64972  0.0998759 21.6519      0.92879  21.8396      1.31763  21.4665      1.30943  4.66632  0.141185  4.62626  0.141521  
1 1 1 25 11 27 o 1.84047  0.212207  3.41445      0.781121 2.21382      1.10637  4.60776      1.10299  1.44313  0.378598  2.13387  0.258448  
1 1 1 25 11 28 o 1.5627   0.255668  2.47482      0.799062 3.29306      1.15552  1.72495      1.10618  1.76631  0.3392    1.28834  0.393296  
1 1 1 25 11 29 o 5.42207  0.0994968 29.469       1.07896  28.2424      1.51334  30.7372      1.53873  5.30136  0.142731  5.53123  0.139095  
1 1 1 25 11 30 o 0.843586 0.330664  0.458446     0.811212 0.51153      1.14086  0.404159     1.15371  0.964445 0.387358  0.945044 0.38563   
1 1 1 25 11 31 o 5.89979  0.10012   34.9246      1.18137  34.0567      1.63365  35.8759      1.71041  5.81637  0.140436  5.96889  0.143277  
1 1 1 25 11 32 o 2.09852  0.219598  4.48066      0.921663 4.13465      1.31965  4.81017      1.28779  1.99388  0.330924  2.1584   0.298321  
1 1 1 25 11 33 o 1.91097  0.226779  3.72807      0.866739 2.86784      1.19078  4.69735      1.264    1.61763  0.375053  2.12913  0.296835  
1 1 1 25 11 34 o 2.63693  0.175025  7.06223      0.923058 6.65367      1.26515  7.52726      1.34976  2.53945  0.249098  2.70075  0.249886  
1 1 1 25 11 35 o 3.06361  0.165326  9.53828      1.01299  9.68594      1.37229  9.36149      1.50159  3.06682  0.223732  3.00426  0.24991   
1 1 1 25 11 36 o 0.769382 0.330707  0.0598512    0.917598 0.727795     1.27226  -0.664282    1.32469  1.01438  0.408375  0.799113 0.365713  
1 1 1 25 11 37 o 0.868207 0.358376  0.395269     1.00795  -0.173619    1.41461  0.981959     1.43657  0.889703 0.395217  1.09416  0.436562  
1 1 1 25 11 38 o 2.18565  0.227397  4.99879      0.99402  6.44353      1.42059  3.61286      1.39138  2.44734  0.290232  1.74762  0.40556   
1 1 1 25 11 39 o 1.73927  0.289257  3.32498      1.00619  3.35972      1.37903  3.28543      1.47139  1.64101  0.418734  1.60271  0.444042  
1 1 1 25 11 40 o 0.93832  0.365522  0.870489     0.9881   1.75996      1.42089  0.0375309    1.37501  1.18994  0.444422  0.865255 0.386792  
1 1 1 25 11 41 f 1.10678  0.38309   1.58458      1.03476  1.77559      1.4724   1.39818      1.4545   1.14512  0.446172  1.06931  0.43411   
1 1 1 25 11 42 o 0.827771 0.35473   0.55011      1.05019  0.0775561    1.49778  1.00711      1.47293  0.837728 0.385675  0.96168  0.416252  
1 1 1 25 11 43 o 1.00008  0.39245   1.48966      1.14336  1.74257      1.61227  1.23378      1.6217   1.03291  0.440978  0.958331 0.424749  
1 1 1 25 11 44 o 0.679526 0.320235  -0.0515411   1.14302  -2.33959     1.59966  2.33527      1.63382  0.599278 0.301536  1.01031  0.437863  
1 1 1 25 11 45 o 0.62519  0.304137  -0.332124    1.21102  0.176989     1.68837  -0.871611    1.73801  0.709747 0.348328  0.652578 0.32563   
1 1 1 25 12 0  o 7.28919  0.0913423 53.1609      1.33115  53.1609      1.33115  53.1609      1.33115  7.29017  0.0645687 ?        ?         
1 1 1 25 12 1  o 18.2313  0.125333  332.466      4.56998  330.751      6.43096  334.215      6.49538  18.1819  0.176851  18.2768  0.177694  
1 1 1 25 12 2  o 29.9899  0.203539  899.988      12.2082  896.121      17.1995  903.915      17.3313  29.9153  0.28747   30.0449  0.288424  
1 1 1 25 12 3  o 17.5516  0.1184    308.124      4.15622  313.461      5.97137  303.109      5.78845  17.7009  0.168675  17.4062  0.166275  
1 1 1 25 12 4  o 5.34829  0.0571512 28.6057      0.611323 28.0865      0.86131  29.1327      0.867809 5.2994   0.0812648 5.3972   0.0803943 
1 1 1 25 12 5  o 12.1092  0.0912055 146.652      2.20886  149.345      3.25498  144.353      3.0073   12.219   0.133193  12.0133  0.125165  
1 1 1 25 12 6  o 22.1303  0.158526  489.932      7.01647  490.517      9.9318   489.35       9.91378  22.1393  0.224303  22.1129  0.224163  
1 1 1 25 12 7  f 11.18    0.0840152 125.006      1.87858  123.978      2.6967   125.975      2.61846  11.1333  0.12111   11.2227  0.116659  
1 1 1 25 12 8  o 19.7902  0.140889  391.768      5.57645  387.471      7.89606  396.045      7.87657  19.6782  0.200629  19.8949  0.197954  
1 1 1 25 12 9  o 27.0084  0.186187  729.831      10.0572  730.775      14.0863  728.848      14.3639  27.0188  0.260676  26.9825  0.266171  
1 1 1 25 12 10 o 9.37911  0.0735721 87.9753      1.38008  88.7206      1.96516  87.25        1.93857  9.41833  0.104327  9.33995  0.103778  
1 1 1 25 12 11 o 16.1158  0.113303  259.778      3.65195  259.495      5.27756  260.038      5.05868  16.105   0.163848  16.1222  0.156886  
1 1 1 25 12 12 o 9.0656   0.0733223 82.1939      1.32942  81.8435      1.89327  82.5346      1.86717  9.04576  0.10465   9.08391  0.102774  
1 1 1 25 12 13 o 10.5259  0.0805292 110.809      1.69528  111.004      2.40234  110.616      2.39267  10.5344  0.114023  10.516   0.113764  
1 1 1 25 12 14 o 8.46133  0.0739315 71.6027      1.25112  70.2715      1.72948  73.0641      1.81211  8.38183  0.103168  8.54671  0.106012  
1 1 1 25 12 15 o 20.5534  0.148376  422.663      6.09928  430.315      8.65792  415.123      8.5938   20.7333  0.208793  20.3638  0.211007  
1 1 1 25 12 16 o 15.5791  0.118626  242.799      3.69619  241.991      5.08768  243.703      5.37885  15.5505  0.163585  15.6048  0.172346  
1 1 1 25 12 17 o 8.31074  0.0889044 69.0846      1.47772  67.9518      2.12993  70.1359      2.05188  8.24124  0.129224  8.37285  0.122532  
1 1 1 25 12 18 o 19.6768  0.153117  387.489      6.02569  387.086      8.51427  387.894      8.52896  19.6585  0.216554  19.679   0.216702  
1 1 1 25 12 19 o 10.5949  0.100868  112.302      2.13737  110.182      2.97817  114.553      3.06927  10.4921  0.141925  10.6981  0.14345   
1 1 1 25 12 20 o 10.3426  0.0932057 107.018      1.92798  105.162      2.67692  109.018      2.7791   10.2503  0.130577  10.4364  0.133145  
1 1 1 25 12 21 o 4.19748  0.101832  17.6299      0.854877 17.0968      1.16752  18.2462      1.25519  4.1323   0.141268  4.26872  0.147022  
1 1 1 25 12 22 o 6.22247  0.0911654 38.7427      1.13455  37.985       1.59964  39.5096      1.60939  6.15935  0.129855  6.28185  0.128098  
1 1 1 25 12 23 o 5.75255  0.0876549 33.1156      1.00848  33.8682      1.37819  32.2482      1.47962  5.81583  0.118486  5.67425  0.13038   
1 1 1 25 12 24 o 0.786837 0.321052  0.231995     0.79961  -0.626727    1.07598  1.29118      1.19499  0.738683 0.335435  1.18513  0.411542  
1 1 1 25 12 25 o 2.25623  0.168485  5.11         0.76028  5.94829      1.04681  4.17417      1.10603  2.43135  0.215273  2.03299  0.27202   
1 1 1 25 12 26 o 1.44429  0.271057  2.17674      0.754102 1.39943      1.0838   2.90622      1.04993  1.19211  0.392478  1.66334  0.327268  
1 1 1 25 12 27 o 2.54794  0.15338   6.52041      0.781608 5.27569      1.08846  7.84557      1.12308  2.28483  0.238191  2.79048  0.201234  
1 1 1 25 12 28 o 4.83756  0.099642  23.4511      0.964049 23.1041      1.37249  23.789       1.35443  4.79639  0.143075  4.86753  0.139129  
1 1 1 25 12 29 o 0.90909  0.336988  0.674186     0.813908 1.0841       1.14431  0.25449      1.15789  1.10713  0.400879  0.918104 0.381845  
1 1 1 25 12 30 o 0.82435  0.325554  0.414977     0.79138  1.96097      1.14691  -0.99003     1.09337  1.35456  0.397604  0.687871 0.321563  
1 1 1 25 12 31 o 0.970973 0.35172   0.837551     0.880953 1.04023      1.22271  0.618766     1.27036  1.10405  0.412282  1.0199   0.409116  
1 1 1 25 12 32 o 2.15914  0.206281  4.73678      0.890778 5.53356      1.2392   3.88486      1.28136  2.32119  0.266932  1.90069  0.35021   
1 1 1 25 12 33 o 0.827281 0.33127   0.396929     0.830831 0.464486     1.15626  0.324815     1.19462  0.947482 0.386247  0.930831 0.387541  
1 1 1 25 12 34 o 0.764152 0.323814  0.110376     0.858173 0.408219     1.16863  -0.238216    1.26428  0.933277 0.385599  0.848384 0.37565   
1 1 1 25 12 35 o 2.23199  0.220657  5.12969      0.985009 4.7601       1.30365  5.6214       1.5037   2.12114  0.307299  2.2966   0.327375  
1 1 1 25 12 36 o 0.819874 0.339608  0.309724     0.910119 0.439533     1.24107  0.158697     1.33867  0.946205 0.39454   0.922544 0.398036  
1 1 1 25 12 37 o 0.924959 0.363154  0.676347     0.979387 1.44905      1.38787  -0.0901323   1.38227  1.18558  0.439935  0.891693 0.394067  
1 1 1 25 12 38 o 0.794926 0.33922   0.180476     0.953262 0.217823     1.34259  0.142508     1.35371  0.91637  0.397035  0.907189 0.3959    
1 1 1 25 12 39 o 1.09833  0.371764  1.4034       0.972417 1.31899      1.33844  1.49776      1.41517  1.10429  0.426392  1.15088  0.43995   
1 1 1 25 12 40 o 1.20993  0.383322  1.83489      1.03849  0.657008     1.50768  2.89821      1.43248  0.980874 0.4228    1.46433  0.447667  
1 1 1 25 12 41 o 0.934821 0.368444  0.958558     1.01176  1.46474      1.43456  0.457587     1.42715  1.07859  0.433884  0.905166 0.400167  
1 1 1 25 12 42 o 2.46831  0.247563  6.986        1.22213  6.18084      1.71349  7.81969      1.7436   2.06559  0.429069  2.4505   0.355763  
1 1 1 25 12 43 o 0.503861 0.252471  -2.36013     1.10374  -0.0354898   1.56602  -4.65478     1.55589  0.797792 0.375637  ?        ?         
1 1 1 25 12 44 o 0.552437 0.273296  -1.3276      1.1196   -3.58912     1.55563  1.10263      1.61261  0.534571 0.272275  0.841606 0.392301  
1 1 1 25 12 45 o 0.672383 0.322233  0.250825     1.23626  -0.353883    1.65087  1.02288      1.86537  0.660279 0.327764  0.754699 0.369227  
1 1 1 25 13 0  o 2.763    0.101488  7.6656       0.559106 7.6656       0.559106 7.6656       0.559106 2.76585  0.0715777 ?        ?         
1 1 1 25 13 1  f 10.6071  0.0812271 112.522      1.72317  115.372      2.48528  109.882      2.39129  10.7401  0.115701  10.4814  0.114072  
1 1 1 25 13 2  o 4.0232   0.0552572 16.1868      0.444621 15.5791      0.623173 16.817       0.63456  3.94685  0.0789456 4.10067  0.0773728 
1 1 1 25 13 3  o 24.1185  0.166389  581.937      8.02612  581.347      11.2157  582.555      11.4906  24.1014  0.232677  24.126   0.238137  
1 1 1 25 13 4  o 15.9916  0.115268  255.781      3.68663  256.329      5.28873  255.264      5.14174  16.007   0.165201  15.9739  0.160942  
1 1 1 25 13 5  o 8.09605  0.0695517 65.5507      1.12619  63.7665      1.57936  67.3964      1.60632  7.98481  0.0988979 8.20894  0.0978397 
1 1 1 25 13 6  o 5.85242  0.0629677 34.2528      0.737027 33.3616      1.01785  35.2351      1.06863  5.77562  0.0881165 5.93555  0.0900191 
1 1 1 25 13 7  o 18.2027  0.133599  331.428      4.86372  330.687      6.95077  332.139      6.80813  18.1797  0.191168  18.2198  0.186833  
1 1 1 25 13 8  o 20.1452  0.145166  405.958      5.84881  397.667      8.3176   414.068      8.2261   19.9349  0.208619  20.3423  0.202192  
1 1 1 25 13 9  o 13.2952  0.0943073 176.786      2.50766  176.847      3.51127  176.722      3.58255  13.2965  0.132037  13.2918  0.134766  
1 1 1 25 13 10 o 15.297   0.105779  234.042      3.23621  236.671      4.62433  231.519      4.53049  15.3811  0.150325  15.2128  0.148904  
1 1 1 25 13 11 o 10.3054  0.0777805 106.214      1.60313  106.697      2.27961  105.742      2.25492  10.3282  0.110358  10.2819  0.109655  
1 1 1 25 13 12 o 7.46163  0.0673975 55.6811      1.00579  55.6155      1.43412  55.7445      1.41097  7.45687  0.0961607 7.46554  0.0944987 
1 1 1 25 13 13 o 9.66265  0.077574  93.3787      1.49914  93.9815      2.15315  92.8116      2.08853  9.69313  0.111066  9.63266  0.108409  
1 1 1 25 13 14 o 10.5425  0.089845  111.165      1.89439  108.472      2.50434  114.767      2.89635  10.4133  0.120247  10.7107  0.135208  
1 1 1 25 13 15 o 12.912   0.103094  166.764      2.66229  169.576      3.68008  163.677      3.85619  13.0189  0.141336  12.79    0.15075   
1 1 1 25 13 16 o 6.15876  0.0800199 37.937       0.985646 39.4039      1.41293  36.5465      1.37565  6.27614  0.112563  6.04428  0.113798  
1 1 1 25 13 17 o 6.53682  0.0907901 42.741       1.18696  41.8376      1.69549  43.6093      1.66222  6.46645  0.131099  6.60209  0.125886  
1 1 1 25 13 18 o 8.72445  0.0915855 76.1402      1.59807  78.1242      2.22865  74.0405      2.29273  8.8361   0.12611   8.60176  0.133271  
1 1 1 25 13 19 o 16.1761  0.133852  261.887      4.33041  267.987      6.07441  255.582      6.17507  16.3571  0.185682  15.9729  0.193298  
1 1 1 25 13 20 o 13.0004  0.107595  169.119      2.79756  169.23       3.81407  168.99       4.11582  13.0012  0.146682  12.9907  0.158415  
1 1 1 25 13 21 o 6.98959  0.0869736 48.8783      1.21582  46.88        1.64963  51.2545      1.7989   6.84364  0.120523  7.15551  0.1257    
1 1 1 25 13 22 o 6.83392  0.0844255 46.7287      1.15391  48.7475      1.61821  44.6401      1.64591  6.97822  0.115947  6.6773   0.123246  
1 1 1 25 13 23 o 6.00556  0.087017  36.0949      1.04517  36.4126      1.39878  35.6931      1.57265  6.03016  0.115982  5.9691   0.131732  
1 1 1 25 13 24 o 6.85517  0.0900216 47.0379      1.23423  46.8202      1.69832  47.2815      1.79676  6.83634  0.124213  6.86926  0.130783  
1 1 1 25 13 25 o 3.55536  0.114776  12.664       0.816141 11.4374      1.10931  14.1114      1.20502  3.3755   0.164318  3.7497   0.160682  
1 1 1 25 13 26 o 5.41079  0.0942195 29.3193      1.0196   29.1401      1.39582  29.5243      1.49295  5.39068  0.129466  5.42513  0.137596  
1 1 1 25 13 27 o 4.34084  0.101807  18.881       0.883859 19.5965      1.25905  18.1859      1.24108  4.41805  0.142489  4.25568  0.145814  
1 1 1 25 13 28 o 4.71922  0.0996053 22.3199      0.940118 23.3147      1.33585  21.3437      1.3233   4.81835  0.138621  4.60949  0.14354   
1 1 1 25 13 29 o 2.84064  0.15963   8.1247       0.906902 8.13491      1.35342  8.11637      1.22176  2.83062  0.239068  2.83135  0.215756  
1 1 1 25 13 30 o 2.21322  0.188496  4.95219      0.834367 5.04676      1.2152   4.86784      1.14764  2.22082  0.273591  2.18301  0.262858  
1 1 1 25 13 31 o 0.977915 0.355389  0.847021     0.900069 -0.459562    1.24122  2.29599      1.30711  0.816548 0.366191  1.45101  0.424     
1 1 1 25 13 32 o 2.37877  0.184774  5.73478      0.879069 5.19458      1.23435  6.29074      1.25223  2.24596  0.274793  2.47711  0.252759  
1 1 1 25 13 33 o 2.29351  0.1944    5.35706      0.891719 5.62444      1.27009  5.09713      1.25226  2.33007  0.272545  2.21525  0.282645  
1 1 1 25 13 34 o 1.56262  0.289516  2.62785      0.870821 2.11132      1.17388  3.25997      1.2986   1.37318  0.401989  1.70425  0.389351  
1 1 1 25 13 35 o 1.5983   0.312493  2.78808      0.963284 2.66301      1.29682  2.94204      1.43879  1.52354  0.414602  1.59243  0.438204  
1 1 1 25 13 36 f 2.48753  0.200455  6.37365      0.997275 6.7447       1.30692  5.85642      1.54302  2.53503  0.257773  2.32652  0.331614  
1 1 1 25 13 37 o 0.721113 0.323213  -0.266996    0.965782 0.818601     1.35311  -1.39439     1.3789   1.03834  0.419855  0.727138 0.346476  
1 1 1 25 13 38 o 1.13704  0.369488  1.48266      0.960544 1.25677      1.34829  1.71547      1.36877  1.11138  0.428201  1.22055  0.438782  
1 1 1 25 13 39 o 2.28973  0.215305  5.5454       0.985984 3.08455      1.35993  8.27254      1.43162  1.55889  0.424726  2.76305  0.259065  
1 1 1 25 13 40 o 0.800926 0.345263  0.271547     1.00556  -0.0896407   1.44788  0.608088     1.39761  0.85557  0.388672  0.947361 0.407699  
1 1 1 25 13 41 o 1.61341  0.332497  3.21119      1.03622  1.2375       1.43409  5.36743      1.49894  1.03176  0.426773  2.04152  0.381275  
1 1 1 25 13 42 o 0.788479 0.354116  0.278488     1.16443  -1.61712     1.59686  2.43101      1.70164  0.691858 0.339295  1.17546  0.472675  
1 1 1 25 13 43 o 0.57263  0.280706  -1.27236     1.09103  -0.199968    1.54377  -2.34248     1.54213  0.767468 0.36594   0.614692 0.306726  
1 1 1 25 13 44 o 0.964284 0.387766  1.72093      1.14524  1.24741      1.58793  2.23424      1.65328  0.862526 0.3971    0.984531 0.433513  
1 1 1 25 14 0  o 8.99119  0.104701  80.8809      1.88219  80.8809      1.88219  80.8809      1.88219  8.99228  0.0740142 ?        ?         
1 1 1 25 14 1  o 19.086   0.129755  364.365      4.95302  365.969      6.96551  362.725      7.04442  19.1256  0.182099  19.0405  0.184985  
1 1 1 25 14 2  o 10.6315  0.0798414 113.039      1.69767  112.183      2.39024  113.91       2.41163  10.5906  0.112847  10.6719  0.11299   
1 1 1 25 14 3  o 22.2588  0.157753  495.634      7.02279  499.34       10.1168  492.187      9.75648  22.3373  0.226454  22.1772  0.219966  
1 1 1 25 14 4  o 21.6472  0.155388  468.768      6.72744  465.548      9.45571  472.069      9.57345  21.5688  0.219199  21.7192  0.220392  
1 1 1 25 14 5  o 5.60999  0.061056  31.4738      0.685047 30.1934      0.953802 32.838       0.984535 5.49454  0.0867955 5.73012  0.0859087 
1 1 1 25 14 6  o 20.1725  0.147133  407.062      5.9361   406.379      8.09354  407.857      8.73267  20.1526  0.200806  20.1883  0.216281  
1 1 1 25 14 7  o 12.3183  0.0945415 151.761      2.32918  152.92       3.27408  150.573      3.3142   12.3644  0.132399  12.2691  0.135063  
1 1 1 25 14 8  o 13.1631  0.0978359 173.293      2.57565  171.279      3.74723  175.097      3.54612  13.0852  0.143185  13.2305  0.134013  
1 1 1 25 14 9  o 6.07915  0.0596444 36.9583      0.725175 36.2159      1.01673  37.727       1.03461  6.0176   0.0844798 6.14186  0.084226  
1 1 1 25 14 10 o 6.61485  0.0624678 43.7593      0.82643  43.5511      1.17005  43.9666      1.16745  6.59884  0.0886559 6.63026  0.0880395 
1 1 1 25 14 11 o 2.54006  0.0938385 6.45305      0.476711 6.8451       0.673574 6.05961      0.674769 2.61587  0.128747  2.46116  0.137084  
1 1 1 25 14 12 o 6.15613  0.064891  37.9013      0.798956 38.278       1.13169  37.5271      1.12811  6.18637  0.0914662 6.12539  0.0920847 
1 1 1 25 14 13 o 20.6509  0.146399  426.661      6.04654  429.625      8.40937  423.488      8.70023  20.718   0.202948  20.5687  0.211492  
1 1 1 25 14 14 o 2.94565  0.105824  8.67917      0.623441 8.16617      0.8555   9.26015      0.910418 2.85688  0.149726  3.04223  0.14963   
1 1 1 25 14 15 o 12.5395  0.0987694 157.279      2.47703  158.614      3.68047  156.172      3.34904  12.5906  0.146159  12.4939  0.134027  
1 1 1 25 14 16 o 1.64939  0.21313   2.72412      0.703071 2.30336      1.01499  3.11224      0.974809 1.48542  0.347484  1.76216  0.276595  
1 1 1 25 14 17 o 13.6617  0.119916  186.733      3.2765   195.413      4.92864  179.859      4.38602  13.9716  0.17638   13.4051  0.163596  
1 1 1 25 14 18 o 11.2174  0.0990131 125.883      2.22135  125.24       3.00041  126.663      3.30447  11.1868  0.134105  11.2493  0.146875  
1 1 1 25 14 19 o 7.54541  0.0889926 56.9558      1.34297  56.0585      1.89856  57.8545      1.89994  7.4842   0.126838  7.60324  0.124943  
1 1 1 25 14 20 o 6.73816  0.086003  45.4226      1.159    46.5636      1.63277  44.2637      1.64546  6.82088  0.119689  6.6501   0.123717  
1 1 1 25 14 21 o 8.55855  0.0924042 73.2923      1.58169  73.1902      2.10612  73.4242      2.3954   8.55057  0.123157  8.56291  0.13987   
1 1 1 25 14 22 o 5.14026  0.0897274 26.4406      0.922445 25.8342      1.26374  27.1322      1.34955  5.07934  0.1244    5.20507  0.129638  
1 1 1 25 14 23 o 5.9132   0.0887816 34.9954      1.04997  34.3709      1.45039  35.6832      1.52195  5.85788  0.123798  5.96837  0.127501  
1 1 1 25 14 24 o 6.53561  0.0864937 42.7541      1.13058  42.6417      1.57256  42.8744      1.62657  6.52414  0.120518  6.54153  0.124327  
1 1 1 25 14 25 o 2.93263  0.135062  8.62333      0.792173 8.26384      1.08945  9.02662      1.15393  2.86706  0.189995  2.99624  0.192563  
1 1 1 25 14 26 o 3.74001  0.112162  14.0183      0.838972 14.1463      1.15183  13.8737      1.22447  3.75342  0.153437  3.71591  0.164761  
1 1 1 25 14 27 o 4.10729  0.105514  16.9078      0.866754 17.8498      1.21431  15.9293      1.23758  4.21612  0.144008  3.98149  0.155416  
1 1 1 25 14 28 o 3.37462  0.121475  11.4271      0.819864 9.80896      1.13721  13.1785      1.18308  3.11992  0.18225   3.61901  0.163453  
1 1 1 25 14 29 o 1.98154  0.214456  3.97728      0.849906 3.43851      1.23856  4.45675      1.1684   1.79372  0.357922  2.08843  0.279733  
1 1 1 25 14 30 o 1.4446   0.28886   2.21316      0.805077 1.64552      1.13998  2.77797      1.13713  1.25639  0.40198   1.60291  0.363071  
1 1 1 25 14 31 o 3.18033  0.155874  10.2026      0.991462 9.67462      1.32833  10.8668      1.48979  3.08465  0.215314  3.2659   0.228083  
1 1 1 25 14 32 o 0.672062 0.299861  -0.291394    0.822921 -0.00136892  1.16288  -0.582328    1.1647   0.861198 0.371268  0.767834 0.348757  
1 1 1 25 14 33 o 1.82939  0.239614  3.44301      0.876696 4.17117      1.25203  2.74255      1.22799  1.99387  0.313969  1.5674   0.392279  
1 1 1 25 14 34 o 1.08946  0.362257  1.24228      0.923315 2.17633      1.2288   0.0310868    1.39928  1.39094  0.412516  0.930654 0.404306  
1 1 1 25 14 35 o 1.44907  0.327747  2.32419      0.92773  1.55021      1.27211  3.20349      1.35591  1.21047  0.424204  1.67044  0.408656  
1 1 1 25 14 36 o 0.89787  0.359257  0.561233     0.976064 1.1168       1.2959   -0.167171    1.48384  1.09816  0.420651  0.911566 0.40487   
1 1 1 25 14 37 o 0.929071 0.356755  0.755862     0.93397  0.148905     1.29492  1.41395      1.34836  0.89805  0.389522  1.16319  0.433229  
1 1 1 25 14 38 o 0.748377 0.32947   -0.0343828   0.954594 -0.522237    1.33468  0.476524     1.36585  0.798349 0.366084  0.955679 0.406877  
1 1 1 25 14 39 o 1.0413   0.362553  1.2371       0.927945 -0.163149    1.29266  2.72588      1.3329   0.82254  0.371061  1.45769  0.428871  
1 1 1 25 14 40 o 0.88384  0.364623  0.649608     1.04273  1.62894      1.48677  -0.298414    1.46281  1.13735  0.447155  0.827425 0.381022  
1 1 1 25 14 41 o 0.525389 0.259897  -1.85235     1.01207  -1.10111     1.44246  -2.58073     1.42035  0.72167  0.346388  0.605984 0.30125   
1 1 1 25 14 42 o 0.664086 0.313824  -0.523202    1.11061  -0.410932    1.52969  -0.648353    1.61506  0.769158 0.365752  0.7636   0.366517  
1 1 1 25 14 43 o 0.671674 0.316404  -0.208934    1.1136   -0.572466    1.55171  0.177146     1.59911  0.717988 0.347735  0.789287 0.374676  
1 1 1 25 14 44 o 0.747524 0.340355  0.512159     1.12411  1.23907      1.63393  -0.141091    1.54893  0.863747 0.399627  0.726277 0.350996  
1 1 1 25 15 0  o 15.6383  0.151247  244.666      4.72949  244.666      4.72949  244.666      4.72949  15.64    0.106925  ?        ?         
1 1 1 25 15 1  o 10.3245  0.0746381 106.605      1.54121  104.674      2.14542  108.664      2.21546  10.2302  0.104857  10.4233  0.106275  
1 1 1 25 15 2  o 14.5679  0.100075  212.254      2.91575  211.723      4.11497  212.789      4.13205  14.5485  0.141422  14.5851  0.141653  
1 1 1 25 15 3  o 19.9222  0.140058  397.01       5.58054  393.182      8.0028   400.634      7.78583  19.8227  0.201859  20.0101  0.194548  
1 1 1 25 15 4  o 20.5914  0.144615  424.139      5.95565  417.311      8.29583  431.401      8.55528  20.4218  0.203112  20.7635  0.206017  
1 1 1 25 15 5  o 13.7991  0.101193  190.445      2.79275  187.243      3.93484  193.695      3.96441  13.6815  0.143801  13.9153  0.142448  
1 1 1 25 15 6  o 5.70066  0.0621481 32.4994      0.70857  31.8753      0.970758 33.211       1.03662  5.6455   0.0859763 5.76254  0.0899446 
1 1 1 25 15 7  o 5.16753  0.0636275 26.7051      0.657594 27.0747      0.916426 26.3127      0.944151 5.20301  0.0880669 5.12925  0.092036  
1 1 1 25 15 8  o 22.0171  0.160215  484.963      7.05493  477.887      9.95785  492.094      9.99663  21.8509  0.227859  22.1736  0.225418  
1 1 1 25 15 9  o 6.03741  0.0642635 36.453       0.77597  36.3302      1.05515  36.5978      1.14514  6.02702  0.087535  6.04911  0.0946535 
1 1 1 25 15 10 o 13.4377  0.0950321 180.604      2.55402  178.971      3.59016  182.276      3.6341   13.3756  0.134206  13.4985  0.134611  
1 1 1 25 15 11 o 8.92245  0.0757612 79.6196      1.35195  79.2832      1.898    79.9662      1.92621  8.90305  0.106592  8.9413   0.107714  
1 1 1 25 15 12 o 13.2758  0.097583  176.282      2.59098  176.092      3.57608  176.491      3.75916  13.2674  0.13477   13.2821  0.141512  
1 1 1 25 15 13 o 15.7453  0.115145  247.988      3.62597  248.558      5.26719  247.475      4.99909  15.7607  0.167099  15.7267  0.158936  
1 1 1 25 15 14 o 5.9453   0.0752955 35.3516      0.895309 34.3446      1.26716  36.3555      1.26516  5.85956  0.108127  6.02871  0.104928  
1 1 1 25 15 15 o 10.2987  0.0843819 106.084      1.73804  105.533      2.49645  106.602      2.4212   10.2708  0.121532  10.3228  0.117274  
1 1 1 25 15 16 o 9.16723  0.0872397 84.0581      1.59949  84.593       2.22994  83.4911      2.29554  9.19533  0.121254  9.13509  0.125644  
1 1 1 25 15 17 o 8.90163  0.0871748 79.2616      1.552    77.9439      2.21     80.5437      2.18001  8.82598  0.125199  8.97212  0.121488  
1 1 1 25 15 18 o 3.36799  0.120258  11.3508      0.810051 9.93951      1.17998  12.6088      1.11404  3.15014  0.187289  3.54887  0.156956  
1 1 1 25 15 19 o 6.65127  0.0866459 44.2573      1.15261  44.1755      1.57964  44.3505      1.68559  6.64395  0.118878  6.65676  0.126608  
1 1 1 25 15 20 o 3.55292  0.113909  12.6335      0.809415 12.1432      1.12712  13.1556      1.1631   3.48182  0.161858  3.62411  0.160466  
1 1 1 25 15 21 o 10.3694  0.0912237 107.59       1.89186  108.817      2.64702  106.31       2.70491  10.4252  0.126953  10.304   0.131256  
1 1 1 25 15 22 o 8.76334  0.0862008 76.8506      1.51081  79.0912      2.1273   74.5702      2.14605  8.88728  0.119682  8.62907  0.12435   
1 1 1 25 15 23 o 2.3955   0.159829  5.75479      0.765738 5.22402      1.04112  6.38028      1.13019  2.27896  0.228419  2.51883  0.224349  
1 1 1 25 15 24 o 4.02536  0.101393  16.2258      0.816283 17.1072      1.12381  15.2415      1.18763  4.13097  0.136023  3.89799  0.152339  
1 1 1 25 15 25 o 5.99552  0.0878149 35.9889      1.05299  36.785       1.49509  35.2052      1.48329  6.0579   0.1234    5.92619  0.125147  
1 1 1 25 15 26 o 4.73913  0.0962423 22.4975      0.91221  22.2526      1.25785  22.7692      1.32488  4.70955  0.133542  4.76325  0.139073  
1 1 1 25 15 27 o 1.86221  0.201686  3.49725      0.751165 3.6582       1.03204  3.31593      1.09541  1.89817  0.271852  1.77623  0.320031  
1 1 1 25 15 28 o 3.17855  0.131685  10.1463      0.837135 10.1875      1.17235  10.1034      1.19577  3.17854  0.184417  3.16474  0.188921  
1 1 1 25 15 29 o 2.4686   0.169062  6.14478      0.834691 6.148        1.2104   6.14185      1.15259  2.45802  0.246213  2.45878  0.234382  
1 1 1 25 15 30 o 0.694982 0.305591  -0.176133    0.819194 0.801963     1.14403  -1.20537     1.17356  1.02779  0.39479   0.69303  0.32598   
1 1 1 25 15 31 o 1.61992  0.267661  2.69214      0.867179 2.60481      1.19102  2.79068      1.26508  1.54298  0.386426  1.59473  0.397579  
1 1 1 25 15 32 o 1.00588  0.34548   0.988086     0.84016  1.24586      1.17027  0.713919     1.20691  1.14089  0.406159  1.01883  0.40214   
1 1 1 25 15 33 o 1.54154  0.301899  2.56092      0.897588 3.41289      1.30053  1.78596      1.24036  1.75375  0.381433  1.28685  0.419871  
1 1 1 25 15 34 o 2.79824  0.174659  7.97089      0.977477 8.18365      1.29122  7.68529      1.496    2.81743  0.22915   2.71208  0.275802  
1 1 1 25 15 35 o 3.09182  0.160798  9.72661      0.994319 9.87654      1.36718  9.55825      1.44872  3.09194  0.221087  3.03363  0.238777  
1 1 1 25 15 36 o 0.803194 0.344902  0.102725     0.996357 -0.415808    1.35033  0.722431     1.47619  0.83611  0.378104  1.05305  0.434035  
1 1 1 25 15 37 o 1.77829  0.26613   3.35975      0.946513 2.57657      1.30787  4.22103      1.37154  1.46733  0.422634  1.91857  0.370667  
1 1 1 25 15 38 o 2.64306  0.187975  7.26781      0.993659 8.03571      1.38264  6.44756      1.429    2.73637  0.252641  2.4212   0.295102  
1 1 1 25 15 39 o 1.0883   0.363079  1.39912      0.927514 0.90823      1.28419  1.93445      1.34106  0.999776 0.407225  1.23736  0.435361  
1 1 1 25 15 40 o 0.970099 0.378552  1.04238      1.06074  1.7716       1.50658  0.325536     1.49374  1.15555  0.451099  0.90743  0.404461  
1 1 1 25 15 41 o 0.859195 0.351787  0.71624      0.963352 1.19191      1.35024  0.22306      1.37486  1.00149  0.414171  0.847055 0.382369  
1 1 1 25 15 42 o 0.818059 0.360171  0.551903     1.14093  0.295307     1.53011  0.87322      1.71224  0.838426 0.387457  0.924327 0.420642  
1 1 1 25 15 43 o 0.615535 0.296645  -0.605239    1.08484  -1.5025      1.59306  0.170658     1.48142  0.652125 0.323432  0.763374 0.361547  
1 1 1 25 15 44 o 0.843559 0.363825  1.1791       1.11767  2.5875       1.62688  -0.0797839   1.5381   1.0172   0.438835  0.717766 0.34738   
1 1 1 25 16 0  o 8.76182  0.0943247 76.8013      1.65248  76.8013      1.65248  76.8013      1.65248  8.76273  0.0666821 ?        ?         
1 1 1 25 16 1  o 18.042   0.122014  325.587      4.40275  323.425      6.18983  327.801      6.26369  17.98    0.172131  18.1012  0.173019  
1 1 1 25 16 2  o 9.61161  0.0711359 92.39        1.36746  93.8313      1.96004  91.0231      1.90875  9.6859   0.10118   9.53987  0.10004   
1 1 1 25 16 3  f 6.56745  0.0608341 43.1337      0.79905  42.9156      1.16065  43.3303      1.10171  6.5506   0.0885907 6.58222  0.0836883 
1 1 1 25 16 4  o 1.51366  0.131504  2.29175      0.398103 1.81304      0.555708 2.79645      0.570592 1.34605  0.206422  1.67188  0.170644  
1 1 1 25 16 5  f 7.00811  0.0675518 49.117       0.946821 49.9902      1.44663  48.4626      1.2523   7.0698   0.102311  6.96107  0.0899506 
1 1 1 25 16 6  o 8.23671  0.0744261 67.8494      1.22605  68.2929      1.75423  67.4259      1.71427  8.26319  0.106147  8.2106   0.104393  
1 1 1 25 16 7  o 21.2587  0.151226  452.108      6.42973  451.711      8.97973  452.526      9.21068  21.2453  0.211335  21.264   0.216579  
1 1 1 25 16 8  o 23.2301  0.168827  539.917      7.84371  536.764      11.1767  542.977      11.0105  23.1557  0.241338  23.2899  0.23638   
1 1 1 25 16 9  o 14.9479  0.105133  223.489      3.14303  220.824      4.44635  226.152      4.44349  14.8568  0.14964   15.0351  0.147771  
1 1 1 25 16 10 o 25.2079  0.172416  635.831      8.69252  638.834      12.083   632.61       12.5145  25.2602  0.239171  25.1356  0.248941  
1 1 1 25 16 11 o 16.1756  0.113215  261.72       3.66264  257.798      5.17279  265.664      5.18676  16.0516  0.16113   16.2948  0.159154  
1 1 1 25 16 12 o 12.333   0.0931689 152.133      2.29811  151.772      3.29089  152.478      3.21064  12.3171  0.13359   12.3459  0.130029  
1 1 1 25 16 13 o 4.56721  0.0821852 20.8629      0.750714 21.0546      1.08428  20.6863      1.04042  4.58774  0.118171  4.54749  0.114395  
1 1 1 25 16 14 o 19.9634  0.141035  398.75       5.63109  397.204      8.01826  400.255      7.90996  19.9191  0.201271  19.9958  0.19779   
1 1 1 25 16 15 o 16.4208  0.122047  269.762      4.00822  266.718      5.55264  273.073      5.79188  16.3245  0.170071  16.5173  0.175327  
1 1 1 25 16 16 o 13.3838  0.110069  179.201      2.9463   177.815      4.20424  180.539      4.13014  13.3291  0.157709  13.4311  0.153753  
1 1 1 25 16 17 o 7.62164  0.0827608 58.106       1.26154  58.0308      1.82204  58.1752      1.74842  7.61549  0.119627  7.62515  0.114649  
1 1 1 25 16 18 o 3.26153  0.125067  10.6458      0.815818 12.5454      1.18633  8.94149      1.12369  3.53949  0.167586  2.98762  0.188058  
1 1 1 25 16 19 o 4.91964  0.0964026 24.2158      0.948533 23.6037      1.30515  24.9011      1.38092  4.85585  0.134389  4.98735  0.138442  
1 1 1 25 16 20 o 4.71772  0.0964614 22.2708      0.910156 22.4022      1.3213   22.1522      1.25553  4.72995  0.139674  4.70376  0.13346   
1 1 1 25 16 21 o 6.7427   0.0845254 45.4905      1.13986  46.2221      1.60044  44.7374      1.62382  6.7948   0.11777   6.68454  0.121461  
1 1 1 25 16 22 o 9.27839  0.089118  86.1596      1.65374  85.542       2.30403  86.816       2.37508  9.24148  0.124657  9.30969  0.127559  
1 1 1 25 16 23 o 1.64181  0.216215  2.71045      0.709967 2.68678      0.976328 2.73702      1.03427  1.60279  0.315819  1.61498  0.331602  
1 1 1 25 16 24 o 6.156    0.0855216 37.9354      1.05294  39.0872      1.4575   36.678       1.52282  6.24597  0.116675  6.04946  0.125864  
1 1 1 25 16 25 f 1.40358  0.269542  2.05809      0.729653 2.77148      1.00572  1.26531      1.06021  1.62404  0.321059  1.14799  0.388183  
1 1 1 25 16 26 o 6.19553  0.0874754 38.4414      1.08391  39.089       1.52825  37.786       1.53757  6.24309  0.122395  6.13774  0.125255  
1 1 1 25 16 27 o 4.61653  0.0982284 21.3571      0.906948 20.8101      1.26421  21.9371      1.30185  4.55233  0.138853  4.67391  0.139268  
1 1 1 25 16 28 o 5.58209  0.0995258 31.2407      1.11112  32.8523      1.57644  29.6497      1.56634  5.71754  0.13786   5.43044  0.144219  
1 1 1 25 16 29 o 3.43558  0.126203  11.8602      0.86716  10.7484      1.21253  13.0242      1.24065  3.26145  0.185888  3.59273  0.172661  
1 1 1 25 16 30 o 3.53939  0.138951  12.6136      0.983607 12.6895      1.37958  12.5352      1.40277  3.53818  0.194957  3.51548  0.199513  
1 1 1 25 16 31 o 3.16158  0.146362  10.077       0.925471 9.68126      1.26943  10.5259      1.35211  3.08667  0.205631  3.21738  0.210125  
1 1 1 25 16 32 o 3.39889  0.135991  11.6471      0.924437 10.363       1.30127  12.9555      1.31352  3.18979  0.203974  3.57263  0.183831  
1 1 1 25 16 33 o 4.53143  0.116549  20.6824      1.05627  20.7717      1.5022   20.5951      1.48552  4.52442  0.16601   4.50559  0.164853  
1 1 1 25 16 34 o 2.31869  0.204835  5.513        0.949898 6.91352      1.28305  3.81426      1.41306  2.58123  0.248534  1.83764  0.395794  
1 1 1 25 16 35 o 2.32171  0.214068  5.56693      0.994006 5.77871      1.35647  5.32132      1.4608   2.33465  0.290508  2.22278  0.328596  
1 1 1 25 16 36 o 3.52315  0.152785  12.6356      1.07657  11.166       1.51547  14.1329      1.52963  3.27466  0.231393  3.69892  0.206768  
1 1 1 25 16 37 o 0.53628  0.261865  -1.56132     0.926323 -1.58177     1.29839  -1.54012     1.32196  0.678212 0.326282  0.690389 0.33143   
1 1 1 25 16 38 o 2.42459  0.205846  6.17611      0.998181 5.6718       1.36916  6.74825      1.45834  2.26136  0.30273   2.47288  0.294866  
1 1 1 25 16 39 o 0.673568 0.306034  -0.276096    0.89834  -0.68196     1.25384  0.152        1.28773  0.737092 0.344488  0.861206 0.380504  
1 1 1 25 16 40 o 1.71342  0.316398  3.52596      1.04349  4.56893      1.41529  2.28364      1.54463  1.8771   0.389976  1.2519   0.464202  
1 1 1 25 16 41 o 0.737783 0.335529  -0.0331309   1.08551  -0.521946    1.53158  0.460265     1.53874  0.780982 0.368821  0.892912 0.403715  
1 1 1 25 16 42 o 0.586103 0.287375  -1.39382     1.14458  -2.04939     1.55093  -0.609707    1.69617  0.643419 0.319117  0.773195 0.372209  
1 1 1 25 16 43 o 0.797697 0.351108  0.809094     1.08361  0.433507     1.56864  1.15193      1.49868  0.787005 0.372408  0.862547 0.392797  
1 1 1 25 16 44 o 0.747091 0.340197  0.728442     1.12375  0.702831     1.63087  0.751594     1.55061  0.764642 0.36733   0.765862 0.365548  
1 1 1 25 17 0  o 2.00113  0.137308  4.06138      0.543602 4.06138      0.543602 4.06138      0.543602 2.00833  0.0962007 ?        ?         
1 1 1 25 17 1  o 10.461   0.0767795 109.443      1.60639  108.082      2.22478  110.924      2.32188  10.3954  0.107008  10.5311  0.110239  
1 1 1 25 17 2  o 15.3475  0.105037  235.585      3.22412  236.256      4.56951  234.919      4.54974  15.368   0.148669  15.3245  0.148447  
1 1 1 25 17 3  o 9.33049  0.0735807 87.0652      1.37309  87.9325      2.00776  86.3032      1.88201  9.37639  0.107065  9.2892   0.101301  
1 1 1 25 17 4  o 9.34738  0.0739123 87.3811      1.38177  85.9976      1.92717  88.8447      1.98223  9.27268  0.103917  9.4249   0.105159  
1 1 1 25 17 5  o 11.8585  0.0930181 140.643      2.2061   144.269      3.2719   137.62       2.98729  12.0093  0.136223  11.7296  0.12734   
1 1 1 25 17 6  o 24.7178  0.179126  611.309      8.85517  612.614      12.4006  609.951      12.6493  24.7373  0.250645  24.6829  0.256236  
1 1 1 25 17 7  o 1.65514  0.140924  2.74049      0.466497 1.69183      0.653401 3.83077      0.666237 1.27602  0.264882  1.9567   0.170245  
1 1 1 25 17 8  o 29.9451  0.215918  897.544      12.9314  888.905      18.3563  906.055      18.2199  29.7862  0.308135  30.0731  0.302927  
1 1 1 25 17 9  o 2.56817  0.101929  6.59693      0.52354  6.61727      0.724358 6.57468      0.757553 2.57188  0.140823  2.56353  0.147756  
1 1 1 25 17 10 o 16.7743  0.11803   281.461      3.95975  281.305      5.73462  281.604      5.47431  16.7669  0.17101   16.7763  0.163156  
1 1 1 25 17 11 o 6.1066   0.0691174 37.2945      0.844145 37.0555      1.14107  37.5835      1.25459  6.08673  0.0937343 6.12983  0.102335  
1 1 1 25 17 12 o 12.2138  0.0926421 149.207      2.26302  147.939      3.14659  150.566      3.25707  12.1606  0.129377  12.2679  0.132747  
1 1 1 25 17 13 o 4.84629  0.0762573 23.4901      0.73913  24.2366      1.05902  22.7811      1.03207  4.92232  0.107573  4.77222  0.108134  
1 1 1 25 17 14 o 10.9345  0.0862297 119.589      1.88576  121.013      2.72294  118.277      2.61412  10.9982  0.123791  10.8733  0.120209  
1 1 1 25 17 15 f 8.81048  0.0881876 77.6438      1.55395  75.9877      2.24276  79.1729      2.15509  8.7148   0.128676  8.89584  0.121129  
1 1 1 25 17 16 o 7.86364  0.0824314 61.8528      1.29642  62.3486      1.81008  61.3306      1.85768  7.89413  0.114647  7.82928  0.118637  
1 1 1 25 17 17 f 11.1096  0.0933351 123.472      2.07383  121.92       2.87209  125.162      2.99759  11.0374  0.130107  11.1829  0.134026  
1 1 1 25 17 18 o 11.5884  0.102269  134.366      2.37026  130.503      3.28621  138.555      3.42203  11.4175  0.143911  11.7643  0.145441  
1 1 1 25 17 19 o 7.46129  0.0863456 55.6964      1.2885   55.0274      1.77458  56.4424      1.87389  7.41475  0.119666  7.50918  0.124774  
1 1 1 25 17 20 f 11.7426  0.10029   137.99       2.35532  134.697      3.29978  141.409      3.36297  11.5973  0.142265  11.8828  0.141506  
1 1 1 25 17 21 o 7.77454  0.0832343 60.4814      1.29422  61.0271      1.80107  59.8989      1.86099  7.80727  0.115346  7.73436  0.120307  
1 1 1 25 17 22 o 5.02557  0.0917021 25.2795      0.921711 26.2306      1.30696  24.3384      1.30006  5.11705  0.127706  4.92873  0.131886  
1 1 1 25 17 23 o 4.81673  0.0897247 23.2246      0.864359 23.2515      1.19245  23.1949      1.2547   4.81728  0.123768  4.81089  0.130402  
1 1 1 25 17 24 o 7.73793  0.0845433 59.9387      1.30838  59.8125      1.85124  60.0647      1.84942  7.7256   0.119812  7.74193  0.119442  
1 1 1 25 17 25 o 4.08954  0.101561  16.7544      0.830672 16.5142      1.12165  17.0462      1.23618  4.05696  0.138237  4.12057  0.150001  
1 1 1 25 17 26 o 0.765769 0.305841  0.309039     0.7057   1.05296      0.970986 -0.523874    1.02742  1.06492  0.370857  0.729975 0.329975  
1 1 1 25 17 27 o 3.33653  0.12076   11.1698      0.805839 10.7818      1.10145  11.6167      1.18207  3.27294  0.168267  3.39654  0.174011  
1 1 1 25 17 28 o 3.82161  0.117102  14.6604      0.895037 13.4205      1.23868  16.0151      1.29473  3.64893  0.169731  3.98743  0.162352  
1 1 1 25 17 29 o 3.22336  0.127546  10.4434      0.822254 10.4125      1.18165  10.4724      1.1449   3.20957  0.184082  3.21994  0.177783  
1 1 1 25 17 30 o 2.95084  0.163971  8.79167      0.967704 8.91741      1.36847  8.66591      1.36861  2.95766  0.231342  2.91483  0.234767  
1 1 1 25 17 31 o 1.21784  0.33051   1.59935      0.825495 1.95898      1.15194  1.21972      1.18355  1.34431  0.399554  1.13764  0.408111  
1 1 1 25 17 32 o 0.925897 0.335314  0.779377     0.800642 1.29504      1.11796  0.236433     1.14716  1.138    0.397781  0.895042 0.376586  
1 1 1 25 17 33 o 2.98576  0.169752  9.05981      1.01368  8.72481      1.36263  9.47493      1.51685  2.90886  0.23422   3.02467  0.250747  
1 1 1 25 17 34 o 4.06936  0.126357  16.7249      1.02839  17.2363      1.42012  16.161       1.49121  4.11311  0.172633  3.97614  0.18752   
1 1 1 25 17 35 o 0.762789 0.329787  0.0283998    0.922563 -0.617453    1.23535  0.842802     1.38721  0.772001 0.353247  1.05875  0.426348  
1 1 1 25 17 36 o 1.71547  0.285196  3.13825      0.978491 3.98036      1.37843  2.2829       1.38922  1.86102  0.383456  1.39036  0.443644  
1 1 1 25 17 37 o 0.741134 0.325991  -0.0511657   0.932836 -0.344673    1.31074  0.250072     1.32789  0.819782 0.371525  0.915381 0.395706  
1 1 1 25 17 38 o 1.43783  0.335794  2.42825      0.949089 1.85799      1.27851  3.12825      1.4165   1.23041  0.425833  1.56295  0.436552  
1 1 1 25 17 39 o 0.966049 0.366757  1.00497      0.977901 0.397681     1.33749  1.7025       1.43341  0.905697 0.394399  1.1673   0.443779  
1 1 1 25 17 40 o 1.23106  0.371074  1.9817       0.988883 2.94306      1.34758  0.859981     1.45564  1.44315  0.43281   0.971177 0.416955  
1 1 1 25 17 41 o 1.11428  0.404905  1.82199      1.16833  -0.675403    1.77077  3.74722      1.55475  0.803373 0.385164  1.5189   0.466795  
1 1 1 25 17 42 o 0.649178 0.310249  -0.626737    1.12605  -2.82754     1.58096  1.63942      1.60426  0.604457 0.30257   1.00996  0.435743  
1 1 1 25 17 43 o 0.792846 0.350566  0.832692     1.09587  -0.37129     1.63037  1.82496      1.4801   0.715885 0.349175  0.941226 0.412332  
1 1 1 25 17 44 o 0.650087 0.309914  0.169158     1.10592  -0.0250594   1.60709  0.343864     1.52422  0.677201 0.33353   0.697523 0.339751  
1 1 1 25 18 0  o 7.80199  0.0986979 60.905       1.53952  60.905       1.53952  60.905       1.53952  7.80307  0.0697677 ?        ?         
1 1 1 25 18 1  o 33.2436  0.221151  1106.01      14.7038  1100.41      20.6978  1111.71      20.892   33.1459  0.312223  33.3155  0.313548  
1 1 1 25 18 2  o 24.5254  0.163878  601.758      8.03834  594.289      11.2249  609.621      11.5165  24.3673  0.230328  24.6793  0.233324  
1 1 1 25 18 3  o 12.7546  0.092874  162.704      2.36915  161.631      3.37293  163.749      3.32847  12.7115  0.132672  12.7946  0.130073  
1 1 1 25 18 4  o 1.89375  0.113304  3.58708      0.42914  3.37817      0.60239  3.80236      0.611504 1.83755  0.163911  1.94954  0.156832  
1 1 1 25 18 5  o 24.6961  0.174671  610.232      8.62739  600.596      12.1573  620.008      12.2451  24.4933  0.248176  24.8862  0.246022  
1 1 1 25 18 6  o 14.3354  0.108084  205.551      3.09886  204.915      4.31547  206.227      4.45265  14.3118  0.150767  14.3573  0.155066  
1 1 1 25 18 7  o 17.0437  0.123273  290.577      4.20205  287.356      5.8139   294.101      6.08025  16.9465  0.171537  17.1439  0.17733   
1 1 1 25 18 8  o 16.6978  0.127614  278.912      4.26176  276.194      6.22721  281.307      5.845    16.613   0.18742   16.7669  0.174302  
1 1 1 25 18 9  o 9.08577  0.0919321 82.5661      1.67055  81.1303      2.43851  83.8359      2.2932   9.00547  0.135391  9.15466  0.125248  
1 1 1 25 18 10 o 13.5284  0.096015  183.053      2.59785  185.139      3.71365  181.054      3.63542  13.6038  0.136493  13.4529  0.135116  
1 1 1 25 18 11 o 10.0978  0.0800198 101.982      1.61606  101.688      2.27847  102.279      2.29249  10.0825  0.112991  10.1118  0.113357  
1 1 1 25 18 12 o 28.3962  0.203048  807.184      11.5316  812.28       16.4107  802.214      16.2075  28.4703  0.288206  28.2938  0.286414  
1 1 1 25 18 13 o 9.05308  0.0908767 81.977       1.64543  83.6936      2.34257  80.3054      2.31171  9.14633  0.128061  8.95925  0.129013  
1 1 1 25 18 14 o 18.008   0.13335   324.466      4.80275  329.254      6.89586  319.954      6.69291  18.1353  0.190122  17.8777  0.187186  
1 1 1 25 18 15 o 15.6053  0.124806  243.66       3.89528  243.831      5.36994  243.47       5.65892  15.6069  0.172037  15.5945  0.18144   
1 1 1 25 18 16 o 12.1863  0.0951193 148.564      2.31831  148.021      3.20357  149.161      3.35912  12.1618  0.131706  12.2081  0.137577  
1 1 1 25 18 17 o 8.02186  0.0803093 64.3709      1.28846  63.7332      1.83065  64.9968      1.81378  7.9807   0.114692  8.05952  0.112524  
1 1 1 25 18 18 o 3.12603  0.129622  9.78149      0.810406 9.08549      1.13798  10.4977      1.15437  3.01113  0.188963  3.23706  0.178305  
1 1 1 25 18 19 o 3.25704  0.116015  10.6178      0.755734 10.9005      1.02237  10.2773      1.12212  3.29892  0.154955  3.20251  0.175193  
1 1 1 25 18 20 o 1.33858  0.272229  1.86735      0.703476 2.12909      0.978816 1.58771      1.01173  1.42399  0.346496  1.24741  0.375202  
1 1 1 25 18 21 o 7.8102   0.0868974 61.0463      1.35737  61.5841      1.9189   60.5077      1.92033  7.84162  0.122354  7.77268  0.123531  
1 1 1 25 18 22 f 4.48478  0.0947766 20.1339      0.850105 20.1812      1.1764   20.0823      1.22984  4.48792  0.131063  4.47647  0.137367  
1 1 1 25 18 23 o 1.56839  0.215439  2.47549      0.675784 1.89097      0.929406 3.13118      0.984367 1.33898  0.345     1.76011  0.279633  
1 1 1 25 18 24 o 4.72477  0.0917857 22.3528      0.867333 21.9762      1.2      22.7648      1.25503  4.68182  0.128156  4.76472  0.1317    
1 1 1 25 18 25 f 5.09246  0.0887957 25.9709      0.904377 26.5755      1.26322  25.3352      1.29535  5.14797  0.122691  5.02569  0.128873  
1 1 1 25 18 26 o 2.45817  0.147981  6.07026      0.727528 6.03337      0.988523 6.11385      1.07462  2.44596  0.202073  2.46048  0.218376  
1 1 1 25 18 27 o 4.39383  0.103193  19.3561      0.906822 18.4718      1.21795  20.4562      1.3584   4.28732  0.142041  4.51036  0.150586  
1 1 1 25 18 28 o 1.03077  0.327755  1.08276      0.758718 1.00953      1.08617  1.15253      1.06027  1.07178  0.390317  1.10511  0.387277  
1 1 1 25 18 29 o 2.15953  0.18098   4.71426      0.781663 4.94731      1.10626  4.48191      1.10462  2.20103  0.251305  2.09271  0.263921  
1 1 1 25 18 30 o 2.3429   0.195316  5.56402      0.915212 4.20516      1.30922  6.86267      1.27989  2.01256  0.325262  2.59129  0.24696   
1 1 1 25 18 31 o 3.93814  0.119929  15.5984      0.944598 16.0895      1.36675  15.1493      1.30698  3.98757  0.171376  3.86997  0.168862  
1 1 1 25 18 32 o 0.884855 0.333533  0.643732     0.803947 0.821781     1.09215  0.433145     1.18776  1.00758  0.386108  0.946447 0.389583  
1 1 1 25 18 33 o 0.996673 0.362952  0.927507     0.939202 1.28551      1.27695  0.505603     1.38624  1.15257  0.422868  1.00896  0.418604  
1 1 1 25 18 34 o 0.817766 0.333914  0.350129     0.865585 1.22225      1.19591  -0.609434    1.25443  1.11689  0.409283  0.784353 0.357772  
1 1 1 25 18 35 o 2.81519  0.185786  8.13158      1.04605  8.20897      1.41678  8.03883      1.55098  2.79831  0.253149  2.75414  0.281573  
1 1 1 25 18 36 o 1.5055   0.323012  2.55056      0.944535 2.67791      1.28861  2.40269      1.38853  1.49981  0.415553  1.41521  0.4424    
1 1 1 25 18 37 o 0.620591 0.290972  -0.739317    0.913859 -0.380368    1.27719  -1.11588     1.30815  0.800546 0.36404   0.721567 0.340802  
1 1 1 25 18 38 o 1.16596  0.365219  1.62591      0.94567  3.01612      1.3202   0.160904     1.35525  1.54473  0.417412  0.888685 0.391794  
1 1 1 25 18 39 o 0.953969 0.364744  0.981732     0.972851 0.780307     1.37897  1.18133      1.37269  0.970575 0.410839  1.04449  0.42266   
1 1 1 25 18 40 o 1.02346  0.366743  1.3143       0.955534 1.52623      1.32447  1.08427      1.37989  1.08184  0.422828  0.997266 0.415938  
1 1 1 25 18 41 o 1.13161  0.407842  1.9501       1.18321  3.59018      1.88081  0.875885     1.52215  1.35933  0.510595  0.923755 0.410201  
1 1 1 25 18 42 o 0.518167 0.258195  -1.92484     1.07397  -1.15336     1.54773  -2.64126     1.49148  0.688966 0.336895  0.586738 0.293778  
1 1 1 25 18 43 o 0.904897 0.374131  1.41971      1.10135  3.58363      1.58517  -0.599678    1.53132  1.23558  0.467574  0.687342 0.335868  
1 1 1 25 19 0  o 10.8395  0.111499  117.545      2.41663  117.545      2.41663  117.545      2.41663  10.8407  0.0788243 ?        ?         
1 1 1 25 19 1  o 14.4427  0.0996846 208.628      2.87943  205.331      4.01004  212.137      4.13719  14.3269  0.139948  14.5623  0.142051  
1 1 1 25 19 2  o 26.5157  0.176965  703.475      9.38472  700.438      13.2075  706.572      13.3375  26.4509  0.24966   26.5663  0.251023  
1 1 1 25 19 3  o 15.5021  0.110317  240.368      3.42027  245.22       4.9834   236.047      4.70277  15.6558  0.159155  15.3605  0.15308   
1 1 1 25 19 4  o 10.8022  0.0860002 116.705      1.85799  115.793      2.57793  117.691      2.68024  10.7592  0.119801  10.847   0.123548  
1 1 1 25 19 5  o 10.584   0.0828054 112.036      1.75282  109.798      2.4624   114.334      2.49566  10.477   0.117514  10.6912  0.116715  
1 1 1 25 19 6  o 11.8684  0.0952877 140.886      2.26183  142.645      3.28921  139.307      3.11529  11.9411  0.137726  11.8007  0.131995  
1 1 1 25 19 7  o 12.4816  0.098428  155.822      2.45708  153.825      3.54533  157.668      3.40838  12.4     0.142957  12.5542  0.135747  
1 1 1 25 19 8  o 5.91841  0.068811  35.0311      0.814503 34.9129      1.15066  35.1498      1.1531   5.90812  0.09738   5.92813  0.097257  
1 1 1 25 19 9  o 15.2041  0.113605  231.231      3.45453  230.96       4.87896  231.503      4.89194  15.1931  0.160565  15.2109  0.160804  
1 1 1 25 19 10 o 7.61269  0.0692335 57.9595      1.05411  59.2339      1.52107  56.7819      1.46214  7.69548  0.098829  7.53455  0.0970289 
1 1 1 25 19 11 o 13.4329  0.103059  180.492      2.76878  183.009      3.86228  177.83       3.97128  13.5246  0.142787  13.3316  0.148943  
1 1 1 25 19 12 o 19.5572  0.14267   382.696      5.58045  379.095      8.02353  386.069      7.76663  19.4591  0.206164  19.6381  0.197744  
1 1 1 25 19 13 o 10.2829  0.0874445 105.763      1.79837  104.611      2.46866  107.065      2.6251   10.2257  0.120708  10.3447  0.126881  
1 1 1 25 19 14 o 15.4522  0.117294  238.88       3.62491  236.686      4.98928  241.334      5.27549  15.3779  0.162223  15.5275  0.169876  
1 1 1 25 19 15 o 6.58015  0.079285  43.3091      1.04341  43.6612      1.48686  42.9674      1.46461  6.60599  0.112539  6.55332  0.111746  
1 1 1 25 19 16 o 4.25038  0.0889239 18.0724      0.755921 17.9687      1.05019  18.1839      1.08893  4.23741  0.123918  4.26262  0.12773   
1 1 1 25 19 17 o 3.46956  0.107895  12.0454      0.748698 12.0233      1.04627  12.0687      1.07183  3.46534  0.150963  3.47177  0.154363  
1 1 1 25 19 18 o 2.35439  0.165394  5.5525       0.778805 6.56989      1.14509  4.67683      1.06235  2.55919  0.223722  2.15853  0.246081  
1 1 1 25 19 19 o 6.18815  0.0801601 38.311       0.992086 37.8024      1.41177  38.8072      1.39444  6.1454   0.114864  6.22668  0.111973  
1 1 1 25 19 20 o 1.94013  0.187084  3.77582      0.725934 3.50702      1.02057  4.0511       1.03279  1.8665   0.273392  2.00683  0.257318  
1 1 1 25 19 21 o 5.68788  0.0880274 32.3789      1.00138  30.9537      1.41246  33.8191      1.41989  5.5588   0.127047  5.81078  0.122177  
1 1 1 25 19 22 o 8.7599   0.0836432 76.802       1.46541  76.9152      2.06553  76.6874      2.07935  8.7626   0.11786   8.74949  0.118827  
1 1 1 25 19 23 o 2.57662  0.141626  6.65813      0.729831 6.42153      1.02336  6.90303      1.04115  2.52658  0.202518  2.61988  0.198701  
1 1 1 25 19 24 o 2.11243  0.164275  4.48253      0.694038 4.13386      0.946785 4.88751      1.02038  2.02387  0.233904  2.20082  0.231818  
1 1 1 25 19 25 o 2.91496  0.12556   8.52326      0.732003 8.28887      1.00872  8.78399      1.0639   2.87038  0.175712  2.95442  0.180051  
1 1 1 25 19 26 o 2.8033   0.131869  7.88847      0.739338 8.08939      1.02066  7.66666      1.07242  2.83419  0.180062  2.75753  0.194453  
1 1 1 25 19 27 o 3.97475  0.10784   15.847       0.857278 15.538       1.17379  16.2001      1.25503  3.9304   0.149322  4.01214  0.156403  
1 1 1 25 19 28 o 2.18537  0.173073  4.81907      0.756458 5.18994      1.03939  4.40138      1.10304  2.2602   0.229932  2.07598  0.265667  
1 1 1 25 19 29 o 2.04462  0.201897  4.24057      0.825603 3.91005      1.14816  4.59444      1.18802  1.94756  0.294769  2.11403  0.280984  
1 1 1 25 19 30 o 3.75002  0.128537  14.1496      0.964035 15.9329      1.43289  12.6747      1.30305  3.96735  0.180585  3.53767  0.184168  
1 1 1 25 19 31 o 2.15256  0.198886  4.71116      0.856228 3.48255      1.25155  5.79214      1.17395  1.78847  0.362537  2.37592  0.247052  
1 1 1 25 19 32 o 1.72542  0.238078  3.06423      0.821567 3.90246      1.12449  2.10446      1.20325  1.9336   0.290776  1.37639  0.408204  
1 1 1 25 19 33 o 1.93221  0.243769  3.86525      0.942025 4.57729      1.27929  3.02183      1.39232  2.08177  0.307261  1.62345  0.424167  
1 1 1 25 19 34 o 2.7588   0.172572  7.7661       0.952181 7.14804      1.25856  8.59341      1.45611  2.62239  0.239965  2.86889  0.253776  
1 1 1 25 19 35 o 0.786456 0.335963  0.123082     0.936799 0.460534     1.31967  -0.219702    1.33006  0.967693 0.405379  0.857751 0.382007  
1 1 1 25 19 36 o 2.5857   0.191269  6.90141      0.989126 5.78695      1.30554  8.40311      1.51549  2.32614  0.280625  2.81005  0.269655  
1 1 1 25 19 37 o 0.945035 0.354721  0.886077     0.907425 0.654876     1.25     1.14366      1.31939  0.959078 0.39768   1.07137  0.421227  
1 1 1 25 19 38 o 2.09927  0.223724  4.69725      0.939312 3.44098      1.29876  6.07509      1.36015  1.66466  0.395434  2.33748  0.290943  
1 1 1 25 19 39 o 2.0171   0.237973  4.45455      0.960029 4.45086      1.34382  4.45839      1.372    1.88842  0.368965  1.88075  0.378045  
1 1 1 25 19 40 o 1.4755   0.337133  2.73431      0.973536 2.2395       1.39106  3.20932      1.36295  1.23516  0.442508  1.49644  0.431578  
1 1 1 25 19 41 o 0.834284 0.368261  0.58832      1.20234  -2.76985     1.80511  3.26631      1.61197  0.660805 0.330034  1.33899  0.476685  
1 1 1 25 19 42 o 0.700693 0.323112  0.132855     1.05669  1.27472      1.54418  -0.872762    1.44913  0.90108  0.406075  0.673554 0.328648  
1 1 1 25 19 43 o 0.579935 0.283319  -0.89717     1.088    -1.46305     1.57451  -0.38004     1.50515  0.638608 0.317428  0.700593 0.340267  
1 1 1 25 20 0  o 12.7846  0.126909  163.519      3.24423  163.519      3.24423  163.519      3.24423  12.786   0.0897179 ?        ?         
1 1 1 25 20 1  o 6.39037  0.0614641 40.8398      0.785557 39.8087      1.11551  41.8543      1.10644  6.30893  0.088407  6.46903  0.0855182 
1 1 1 25 20 2  o 17.1421  0.118221  293.931      4.05311  296.417      5.70652  291.4        5.75775  17.2121  0.165771  17.0657  0.168694  
1 1 1 25 20 3  o 24.494   0.167459  600.295      8.20348  603.217      11.6597  597.431      11.5441  24.5465  0.237503  24.4286  0.236282  
1 1 1 25 20 4  o 16.612   0.118765  276.037      3.94584  275.337      5.5649   276.745      5.59574  16.5885  0.167734  16.6308  0.168234  
1 1 1 25 20 5  o 5.70402  0.0704043 32.5391      0.803174 31.0851      1.17473  33.8155      1.10061  5.57476  0.105361  5.81457  0.0946428 
1 1 1 25 20 6  o 5.81633  0.0683354 33.8331      0.794923 32.519       1.07517  35.4174      1.18058  5.70201  0.0942803 5.95063  0.0991983 
1 1 1 25 20 7  o 9.10874  0.081747  82.981       1.48922  83.9635      2.06676  81.9201      2.14773  9.1619   0.112791  9.0496   0.118665  
1 1 1 25 20 8  o 10.2788  0.0848283 105.671      1.74387  104.47       2.41501  106.98       2.5208   10.2195  0.118157  10.3414  0.121879  
1 1 1 25 20 9  o 1.83472  0.14614   3.36786      0.536252 3.64752      0.738946 3.05673      0.779421 1.90901  0.193542  1.74733  0.223032  
1 1 1 25 20 10 o 12.2907  0.0938965 151.095      2.30811  151.847      3.36883  150.431      3.16869  12.3197  0.136725  12.2625  0.129203  
1 1 1 25 20 11 o 21.2378  0.154105  451.332      6.54572  455.269      9.34326  447.537      9.17319  21.3232  0.219087  21.1416  0.216946  
1 1 1 25 20 12 o 8.80156  0.0846132 77.4836      1.48946  74.3513      1.88808  82.645       2.42364  8.62121  0.109502  9.08857  0.133334  
1 1 1 25 20 13 o 8.37715  0.0787207 70.1905      1.31891  70.0349      1.90053  70.3351      1.83181  8.36696  0.113573  8.38501  0.109231  
1 1 1 25 20 14 o 3.03801  0.112939  9.23392      0.68622  9.71129      0.98782  8.78868      0.953987 3.11482  0.158568  2.96313  0.160976  
1 1 1 25 20 15 o 9.48347  0.0853731 89.9655      1.61927  92.2294      2.39141  88.0487      2.20047  9.60025  0.124549  9.38052  0.117289  
1 1 1 25 20 16 o 2.6301   0.125603  6.92301      0.660698 6.51489      0.956884 7.29485      0.913371 2.55014  0.187614  2.69893  0.16921   
1 1 1 25 20 17 o 5.20926  0.0832044 27.1474      0.866867 25.8581      1.22259  28.4509      1.22931  5.08294  0.120264  5.33187  0.115279  
1 1 1 25 20 18 o 7.06854  0.0865449 49.9893      1.22349  49.1897      1.75107  50.7521      1.71021  7.00982  0.124901  7.12056  0.120089  
1 1 1 25 20 19 o 4.57763  0.0880123 20.9676      0.805775 20.7101      1.11711  21.2468      1.16338  4.54808  0.122811  4.60648  0.126276  
1 1 1 25 20 20 f 7.36697  0.0894372 54.3159      1.31776  53.158       1.75244  55.8226      1.99901  7.2857   0.120265  7.46478  0.133896  
1 1 1 25 20 21 o 3.11373  0.120588  9.71129      0.750958 10.3028      1.07823  9.15403      1.04651  3.20466  0.168229  3.02042  0.173238  
1 1 1 25 20 22 o 3.44467  0.107165  11.884       0.738299 12.3661      1.04858  11.4101      1.0397   3.5113   0.149315  3.37252  0.154143  
1 1 1 25 20 23 o 4.83184  0.0917647 23.3765      0.886784 23.4006      1.26967  23.3535      1.23909  4.83101  0.131408  4.82644  0.128365  
1 1 1 25 20 24 o 2.70958  0.131548  7.36457      0.712882 7.7916       1.01626  6.95088      1.00026  2.78301  0.182583  2.62791  0.190316  
1 1 1 25 20 25 o 3.26058  0.115241  10.6602      0.751506 10.6309      1.03919  10.6924      1.08808  3.25209  0.159772  3.26072  0.166846  
1 1 1 25 20 26 o 2.57203  0.141864  6.64643      0.729757 5.70566      0.997285 7.73077      1.07068  2.3765   0.209823  2.76839  0.193376  
1 1 1 25 20 27 o 1.60716  0.230416  2.6213       0.740632 2.24735      1.02933  3.02273      1.06649  1.44571  0.357529  1.68716  0.327756  
1 1 1 25 20 28 o 1.83524  0.198867  3.41018      0.729938 4.19854      1.01977  2.58186      1.04528  2.02871  0.251334  1.54866  0.346247  
1 1 1 25 20 29 f 4.38482  0.119105  19.3248      1.04451  18.3702      1.46499  20.3119      1.48962  4.26329  0.171815  4.48451  0.166085  
1 1 1 25 20 30 o 5.73489  0.1026    33.0257      1.1768   34.3697      1.6927   31.7683      1.63719  5.83839  0.144963  5.61282  0.145844  
1 1 1 25 20 31 o 1.82888  0.220626  3.42259      0.806996 3.21339      1.15861  3.61972      1.12468  1.71621  0.349674  1.8626   0.301912  
1 1 1 25 20 32 o 1.16642  0.341808  1.48128      0.848296 2.99445      1.14567  -0.35509     1.26211  1.64487  0.35822   0.828572 0.370478  
1 1 1 25 20 33 o 3.11884  0.153763  9.86842      0.959125 9.31102      1.31982  10.4922      1.39622  3.00687  0.219467  3.19223  0.218691  
1 1 1 25 20 34 o 1.5062   0.311125  2.50328      0.905294 1.46246      1.21427  3.80578      1.35837  1.17405  0.41415   1.82813  0.383746  
1 1 1 25 20 35 o 1.0614   0.360665  1.19763      0.915219 1.05554      1.28913  1.34203      1.29956  1.08123  0.418262  1.1501   0.425921  
1 1 1 25 20 36 o 2.04269  0.235823  4.38753      0.963426 4.12989      1.31093  4.6901       1.42065  1.90066  0.357986  2.02352  0.364318  
1 1 1 25 20 37 o 1.14574  0.359825  1.54778      0.917147 2.15419      1.26663  0.879408     1.32976  1.31486  0.424028  1.01406  0.413936  
1 1 1 25 20 38 o 1.67365  0.277418  3.10144      0.9286   3.14663      1.2742   3.05026      1.35611  1.5761   0.402699  1.53036  0.427044  
1 1 1 25 20 39 o 0.610479 0.287689  -0.686435    0.92239  -1.84463     1.28853  0.530837     1.32099  0.621583 0.304816  0.900588 0.392063  
1 1 1 25 20 40 o 1.04056  0.380835  1.44383      1.03515  0.552867     1.47934  2.2986       1.44899  0.901891 0.402236  1.21958  0.450124  
1 1 1 25 20 41 o 0.848247 0.369178  0.716336     1.17068  0.512728     1.74935  0.881477     1.57546  0.885364 0.41111   0.912485 0.410749  
1 1 1 25 20 42 o 0.667748 0.312792  -0.0490418   1.04712  -1.02499     1.5753   0.723522     1.40157  0.676384 0.333172  0.812357 0.373611  
1 1 1 25 20 43 o 0.806728 0.355804  0.993753     1.11922  1.18153      1.63539  0.828324     1.53501  0.832768 0.390237  0.794894 0.37358   
1 1 1 25 21 0  o 12.1722  0.122136  148.231      2.97267  148.231      2.97267  148.231      2.97267  12.1736  0.0863438 ?        ?         
1 1 1 25 21 1  o 20.6242  0.140638  425.531      5.8011   420.786      8.03287  430.703      8.38654  20.505   0.195876  20.7446  0.202138  
1 1 1 25 21 2  o 6.55951  0.0698766 43.0315      0.916713 41.2469      1.26665  44.9944      1.32841  6.42173  0.0986225 6.7071   0.0990298 
1 1 1 25 21 3  o 9.16655  0.0756169 84.0356      1.38629  81.5714      2.00464  86.2941      1.91917  9.03053  0.110993  9.28843  0.10331   
1 1 1 25 21 4  o 12.7189  0.0945082 161.801      2.40408  160.776      3.38083  162.849      3.41925  12.6774  0.133341  12.7588  0.133996  
1 1 1 25 21 5  o 10.3071  0.0858393 106.252      1.7695   106.859      2.50806  105.65       2.49688  10.3356  0.121331  10.277   0.121479  
1 1 1 25 21 6  o 12.8098  0.101113  164.128      2.59049  166.018      3.68405  162.28       3.6433   12.8819  0.142993  12.7361  0.143031  
1 1 1 25 21 7  o 7.22104  0.0763539 52.1503      1.10271  51.3951      1.52943  52.9678      1.59134  7.16812  0.106683  7.27692  0.109342  
1 1 1 25 21 8  o 5.59189  0.0736625 31.2732      0.823825 30.0176      1.13297  32.6819      1.20005  5.47814  0.103409  5.71606  0.104972  
1 1 1 25 21 9  o 3.20611  0.0933443 10.2813      0.598543 10.8835      0.827127 9.61938      0.867232 3.29836  0.125385  3.10075  0.139842  
1 1 1 25 21 10 o 11.0767  0.0905005 122.72       2.00489  123.619      2.8157   121.796      2.85541  11.116   0.126651  11.0336  0.129396  
1 1 1 25 21 11 o 17.1921  0.124262  295.701      4.27264  291.201      6.10034  300.034      5.98614  17.0567  0.178825  17.314   0.17287   
1 1 1 25 21 12 o 7.85816  0.0747636 61.7616      1.17501  63.5637      1.72068  60.1869      1.60842  7.97123  0.107931  7.75671  0.10368   
1 1 1 25 21 13 o 24.696   0.179931  610.599      8.88714  619.345      12.5873  601.905      12.5494  24.858   0.253185  24.5049  0.256059  
1 1 1 25 21 14 o 7.91323  0.0793401 62.636       1.25567  64.9248      1.81028  60.5136      1.7432   8.0554   0.112364  7.77695  0.112075  
1 1 1 25 21 15 o 1.21279  0.265942  1.53435      0.62745  1.8238       0.900129 1.26077      0.875096 1.32162  0.338933  1.12407  0.351173  
1 1 1 25 21 16 o 9.78308  0.0836554 95.7458      1.63681  96.3029      2.32316  95.1967      2.30654  9.8096   0.118413  9.75311  0.118246  
1 1 1 25 21 17 o 2.64365  0.130966  6.99645      0.692458 5.79221      0.985486 8.17085      0.973198 2.40349  0.205012  2.85583  0.170388  
1 1 1 25 21 18 o 8.77856  0.0885545 77.1074      1.55476  78.2615      2.23375  76.0229      2.16537  8.84131  0.126324  8.71412  0.124245  
1 1 1 25 21 19 o 3.47014  0.107825  12.0544      0.748337 11.5781      1.04218  12.5613      1.07521  3.39909  0.153303  3.54053  0.151842  
1 1 1 25 21 20 o 10.558   0.0987549 111.588      2.08531  112.738      2.87271  110.306      3.03186  10.6075  0.13541   10.491   0.144499  
1 1 1 25 21 21 o 9.03323  0.0881167 81.6766      1.59196  82.9943      2.27296  80.4078      2.23037  9.10144  0.124868  8.95855  0.124483  
1 1 1 25 21 22 o 6.24099  0.0829323 38.9881      1.03516  39.5117      1.49874  38.5104      1.43145  6.27945  0.119337  6.19978  0.115444  
1 1 1 25 21 23 o 4.58234  0.0911324 21.0263      0.8352   20.9875      1.1737   21.0662      1.18875  4.57502  0.128273  4.58345  0.129678  
1 1 1 25 21 24 o 0.498835 0.238295  -0.87712     0.662458 -0.690475    0.937894 -1.06294     0.935823 0.665195 0.305802  0.612688 0.289036  
1 1 1 25 21 25 o 4.43793  0.0949656 19.7329      0.842901 20.7376      1.19239  18.7293      1.19169  4.54564  0.131158  4.3191   0.137956  
1 1 1 25 21 26 o 6.87755  0.0890425 47.3946      1.22479  48.1016      1.75826  46.7282      1.70709  6.92161  0.127013  6.82248  0.125108  
1 1 1 25 21 27 o 1.41289  0.269488  2.10228      0.734188 2.70942      1.04887  1.51903      1.02804  1.59076  0.339654  1.20957  0.381173  
1 1 1 25 21 28 o 1.75687  0.21573   3.13458      0.758019 3.93437      1.10624  2.42667      1.04076  1.95729  0.282594  1.49805  0.352793  
1 1 1 25 21 29 o 4.76147  0.116636  22.7818      1.11072  23.2625      1.57903  22.3111      1.56269  4.79972  0.164492  4.70007  0.166241  
1 1 1 25 21 30 o 3.29189  0.134781  10.9154      0.887371 10.4926      1.28523  11.3006      1.22668  3.2134   0.19998   3.33898  0.183691  
1 1 1 25 21 31 o 1.97402  0.216197  3.98817      0.853555 4.97763      1.22148  3.04397      1.19323  2.18887  0.279022  1.65994  0.36909   
1 1 1 25 21 32 o 2.0717   0.219685  4.41105      0.910242 5.70427      1.25834  2.99162      1.31831  2.34005  0.268869  1.62364  0.406507  
1 1 1 25 21 33 o 1.13993  0.362607  1.41086      0.928588 2.47486      1.26603  0.171998     1.36611  1.46916  0.413483  0.93869  0.4035    
1 1 1 25 21 34 o 2.12078  0.228197  4.67332      0.967912 3.28298      1.33252  6.22626      1.40829  1.68391  0.400882  2.41974  0.291     
1 1 1 25 21 35 o 3.71929  0.14185   14.0664      1.05516  13.6382      1.49272  14.4941      1.49172  3.62935  0.205646  3.7455   0.199135  
1 1 1 25 21 36 o 1.04435  0.365417  1.18591      0.943648 -0.0208665   1.31916  2.45057      1.35043  0.868589 0.384269  1.41271  0.435223  
1 1 1 25 21 37 o 1.31027  0.345882  2.04005      0.91981  1.44071      1.28718  2.66547      1.31488  1.12667  0.422558  1.44937  0.425817  
1 1 1 25 21 38 o 1.45187  0.34345   2.55477      0.982928 2.34118      1.40089  2.76189      1.3795   1.31973  0.446214  1.43345  0.43953   
1 1 1 25 21 39 o 1.02857  0.363389  1.32131      0.935179 1.17978      1.33193  1.45892      1.31335  1.0156   0.414372  1.07206  0.42063   
1 1 1 25 21 40 o 1.07955  0.382613  1.63595      1.03748  1.07471      1.48336  2.17341      1.4516   0.965099 0.417727  1.16997  0.446061  
1 1 1 25 21 41 o 0.78519  0.352755  0.374086     1.15633  0.0624713    1.85181  0.573248     1.48043  0.846352 0.402442  0.857902 0.390606  
1 1 1 25 21 42 f 0.765951 0.338261  0.684133     1.01608  1.74991      1.42424  -0.420564    1.45001  0.941017 0.408339  0.691968 0.335418  
1 1 1 25 21 43 o 1.31315  0.418372  3.5878       1.2358   4.06913      1.71419  3.06692      1.78323  1.13687  0.468002  0.969315 0.436626  
1 1 1 25 22 0  o 20.9786  0.204266  440.42       8.56859  440.42       8.56859  440.42       8.56859  20.9824  0.144396  ?        ?         
1 1 1 25 22 1  f 18.7831  0.131952  352.936      4.95693  355.926      7.14302  350.159      6.88445  18.8588  0.189382  18.7058  0.184019  
1 1 1 25 22 2  o 10.9126  0.0800608 119.101      1.74734  117.554      2.44022  120.729      2.50322  10.8408  0.112548  10.9862  0.113926  
1 1 1 25 22 3  o 11.6882  0.0842394 136.636      1.96922  137.926      2.80551  135.383      2.76473  11.7424  0.119461  11.6336  0.118825  
1 1 1 25 22 4  o 11.6341  0.088567  135.376      2.0608   134.318      2.89054  136.47       2.93889  11.5876  0.124726  11.68    0.125808  
1 1 1 25 22 5  o 7.40146  0.0771562 54.7888      1.14214  53.8797      1.57838  55.788       1.65478  7.33933  0.107529  7.46811  0.11079   
1 1 1 25 22 6  o 18.5289  0.140736  343.476      5.21536  344.088      7.48709  342.899      7.26901  18.5409  0.201908  18.5093  0.196361  
1 1 1 25 22 7  o 12.1014  0.101423  146.48       2.45471  144.746      3.48537  148.187      3.45777  12.028   0.144886  12.1702  0.142058  
1 1 1 25 22 8  o 3.40486  0.103703  11.5962      0.706187 12.022       0.974287 11.1248      1.02504  3.46641  0.140533  3.33438  0.153708  
1 1 1 25 22 9  o 10.3338  0.0873705 106.809      1.80573  106.184      2.53668  107.451      2.57106  10.3024  0.123111  10.3637  0.124042  
1 1 1 25 22 10 o 4.37145  0.0794024 19.1131      0.694208 19.9338      0.991423 18.3236      0.972372 4.46393  0.111048  4.2798   0.1136    
1 1 1 25 22 11 o 9.75465  0.0826005 95.1734      1.61148  97.6272      2.36499  93.0467      2.20171  9.87844  0.119705  9.64411  0.114148  
1 1 1 25 22 12 o 10.5967  0.0888818 112.321      1.88371  114.232      2.67194  110.433      2.65607  10.685   0.125032  10.5058  0.12641   
1 1 1 25 22 13 o 7.36212  0.0759639 54.2137      1.11851  52.9913      1.568    55.48        1.596    7.27777  0.107726  7.44673  0.107161  
1 1 1 25 22 14 o 7.04006  0.0770822 49.5762      1.08533  48.9658      1.56586  50.1406      1.50567  6.99549  0.11192   7.07911  0.106346  
1 1 1 25 22 15 o 9.83897  0.0845715 96.8423      1.66419  96.4728      2.38716  97.1917      2.32127  9.8182   0.121568  9.85496  0.117772  
1 1 1 25 22 16 o 6.48175  0.0751615 42.0273      0.974356 42.4213      1.40036  41.6576      1.35658  6.51089  0.10754   6.45211  0.105127  
1 1 1 25 22 17 o 6.75425  0.0783933 45.6392      1.05898  45.7051      1.52984  45.5786      1.46735  6.75753  0.113195  6.74841  0.108718  
1 1 1 25 22 18 o 3.8843   0.0998554 15.1         0.775736 15.7145      1.11981  14.533       1.07563  3.96091  0.141358  3.80911  0.141192  
1 1 1 25 22 19 o 6.13899  0.0852566 37.7151      1.04678  37.8256      1.51221  37.6135      1.45046  6.14555  0.123033  6.12865  0.118334  
1 1 1 25 22 20 f 5.9579   0.0882723 35.5278      1.05183  37.6739      1.47061  33.2802      1.50502  6.1329   0.119895  5.76332  0.130569  
1 1 1 25 22 21 o 10.918   0.0930676 119.341      2.03223  122.084      2.99276  116.994      2.76836  11.0357  0.135595  10.8046  0.128111  
1 1 1 25 22 22 o 1.44703  0.231932  2.11081      0.671228 2.00107      0.951121 2.2197       0.947408 1.37548  0.345834  1.44954  0.33352   
1 1 1 25 22 23 o 1.37856  0.248998  1.9794       0.661378 1.52947      0.938159 2.42394      0.932527 1.21392  0.360531  1.5157   0.317801  
1 1 1 25 22 24 o 5.71511  0.0847018 32.7095      0.968159 33.7076      1.38061  31.7439      1.35804  5.7976   0.119067  5.62597  0.120694  
1 1 1 25 22 25 o 4.6425   0.0924892 21.5946      0.858764 20.5743      1.17638  22.7586      1.25652  4.52728  0.129922  4.76127  0.131953  
1 1 1 25 22 26 o 1.34907  0.280071  1.92501      0.73043  2.27516      1.02703  1.56661      1.03904  1.45556  0.355393  1.22742  0.382496  
1 1 1 25 22 27 o 2.05658  0.180591  4.27173      0.742797 4.22879      1.05557  4.31386      1.04545  2.03553  0.259286  2.05672  0.254154  
1 1 1 25 22 28 o 4.66962  0.108325  21.8968      1.01167  21.1872      1.43788  22.5925      1.42367  4.58273  0.15688   4.73396  0.150367  
1 1 1 25 22 29 o 1.38852  0.296598  2.06358      0.799516 3.70925      1.17     0.621911     1.09508  1.89206  0.309188  0.969507 0.382935  
1 1 1 25 22 30 o 3.38635  0.129107  11.5484      0.874406 11.1505      1.2157   11.9748      1.25861  3.31554  0.183333  3.43594  0.183154  
1 1 1 25 22 31 o 3.76324  0.133622  14.2918      1.0057   14.6433      1.39759  13.9143      1.44833  3.7937   0.184198  3.69385  0.196046  
1 1 1 25 22 32 o 2.02712  0.219934  4.22655      0.891664 4.09113      1.25644  4.36395      1.26561  1.96418  0.319839  2.0316   0.311481  
1 1 1 25 22 33 o 3.20032  0.161681  10.4219      1.03486  10.1093      1.37043  10.8366      1.57857  3.12946  0.218956  3.22765  0.244539  
1 1 1 25 22 34 f 1.25446  0.350452  1.77629      0.912771 1.9911       1.2993   1.56697      1.28257  1.31829  0.429731  1.20482  0.425573  
1 1 1 25 22 35 o 3.6978   0.14197   13.9155      1.04995  14.3684      1.4894   13.4682      1.48036  3.72591  0.19987   3.60389  0.205384  
1 1 1 25 22 36 o 1.54851  0.31881   2.73578      0.953561 2.93891      1.34787  2.53226      1.34921  1.53933  0.42437   1.42476  0.434238  
1 1 1 25 22 37 o 0.507098 0.24977   -1.65569     0.892287 -2.60199     1.28343  -0.770368    1.24139  0.581607 0.288749  0.728423 0.3411    
1 1 1 25 22 38 o 1.74151  0.281565  3.4143       0.980693 1.85013      1.3541   5.13982      1.42223  1.18849  0.435513  2.08159  0.34162   
1 1 1 25 22 39 o 1.93368  0.244303  4.16719      0.944809 3.29105      1.3252   5.07294      1.3474   1.54075  0.419037  2.05056  0.328545  
1 1 1 25 22 40 o 1.05451  0.381032  1.5915       1.03334  2.10101      1.5372   1.17144      1.39575  1.12774  0.451009  0.960757 0.410241  
1 1 1 25 22 41 o 0.613256 0.294966  -0.744928    1.05964  0.161394     1.58789  -1.47257     1.42278  0.810149 0.38052   0.642939 0.316698  
1 1 1 25 22 42 o 0.779136 0.344412  0.766629     1.05677  1.03482      1.54563  0.531215     1.44812  0.8357   0.387427  0.775501 0.364085  
1 1 1 25 23 0  o 1.90642  0.183139  3.73537      0.683479 3.73537      0.683479 3.73537      0.683479 1.92001  0.127136  ?        ?         
1 1 1 25 23 1  o 21.7977  0.153378  475.387      6.68658  472.964      9.39757  477.871      9.51603  21.7365  0.21617   21.8488  0.21777   
1 1 1 25 23 2  o 14.2921  0.101735  204.311      2.908    206.322      4.23438  202.515      4.00064  14.3604  0.147432  14.2277  0.140594  
1 1 1 25 23 3  o 18.7561  0.127465  351.918      4.78149  353.694      6.79589  350.178      6.72871  18.7998  0.180744  18.7062  0.179853  
1 1 1 25 23 4  o 23.2778  0.165718  542.198      7.71507  540.103      10.742   544.43       11.0877  23.2257  0.231252  23.3177  0.237754  
1 1 1 25 23 5  o 6.51108  0.0766761 42.4001      0.998487 43.0045      1.41213  41.7957      1.41202  6.55687  0.107683  6.46404  0.109221  
1 1 1 25 23 6  o 7.42315  0.0770266 55.1113      1.14356  55.5275      1.62234  54.7003      1.61218  7.45057  0.108874  7.39487  0.109007  
1 1 1 25 23 7  o 8.43301  0.0877429 71.1299      1.47987  70.8615      2.11136  71.3891      2.07484  8.41619  0.125434  8.44754  0.122807  
1 1 1 25 23 8  o 10.806   0.0962507 116.798      2.08016  114.424      2.894    119.336      2.99203  10.6942  0.135307  10.9213  0.136982  
1 1 1 25 23 9  o 3.19489  0.105982  10.2107      0.6772   10.4564      1.01698  10.0149      0.907716 3.23246  0.157308  3.16368  0.143459  
1 1 1 25 23 10 o 5.53193  0.0820099 30.6087      0.907346 30.5646      1.31127  30.6492      1.25682  5.52731  0.118617  5.53505  0.113533  
1 1 1 25 23 11 o 17.6885  0.129113  313.063      4.56764  313.701      6.565    312.464      6.35916  17.701   0.185441  17.6667  0.179976  
1 1 1 25 23 12 o 13.5022  0.10565   182.39       2.85302  183.805      4.02048  180.954      4.04922  13.5515  0.148341  13.4458  0.150576  
1 1 1 25 23 13 o 6.25752  0.0755416 39.1669      0.945406 39.5253      1.33798  38.8095      1.33604  6.28526  0.106438  6.22807  0.107259  
1 1 1 25 23 14 o 5.68253  0.0767635 32.301       0.872423 31.8365      1.21446  32.7963      1.25408  5.6407   0.107652  5.72504  0.109526  
1 1 1 25 23 15 o 6.73659  0.0732258 45.3957      0.986584 45.3173      1.39871  45.4734      1.3918   6.72971  0.10392   6.74131  0.103229  
1 1 1 25 23 16 o 9.44168  0.0835449 89.1862      1.57761  87.5789      2.21138  90.852       2.25131  9.35402  0.118205  9.52722  0.118151  
1 1 1 25 23 17 o 7.22105  0.0824419 52.1705      1.19063  51.4773      1.682    52.8666      1.68563  7.17098  0.117278  7.26719  0.115975  
1 1 1 25 23 18 o 5.8345   0.0821246 34.0626      0.958311 34.4921      1.32688  33.5942      1.38554  5.86954  0.113031  5.79222  0.119603  
1 1 1 25 23 19 o 5.13395  0.0875677 26.3793      0.899136 26.95        1.28896  25.8385      1.25487  5.18702  0.124248  5.07898  0.123536  
1 1 1 25 23 20 o 4.19439  0.0940317 17.612       0.788811 18.0874      1.12386  17.1504      1.10742  4.24835  0.13227   4.13675  0.133851  
1 1 1 25 23 21 o 1.15523  0.292277  1.40315      0.676166 2.05154      0.988095 0.832108     0.927287 1.39318  0.353822  0.99378  0.360765  
1 1 1 25 23 22 o 1.63571  0.198968  2.69265      0.650907 2.82211      0.920099 2.56296      0.920944 1.6696   0.275544  1.56335  0.305436  
1 1 1 25 23 23 o 2.23484  0.149888  5.01561      0.669953 5.02513      0.948085 5.00611      0.946829 2.23223  0.212363  2.22799  0.212485  
1 1 1 25 23 24 o 6.01686  0.0841718 36.2563      1.0129   35.995       1.42682  36.5218      1.43816  5.99075  0.119085  6.03442  0.119163  
1 1 1 25 23 25 o 2.77812  0.131758  7.75048      0.732081 7.86937      1.02816  7.62822      1.04263  2.79379  0.184009  2.74996  0.189571  
1 1 1 25 23 26 o 3.777    0.11243   14.3172      0.849298 14.6264      1.19988  14.0069      1.2023   3.81109  0.157419  3.72887  0.161215  
1 1 1 25 23 27 o 4.17803  0.103392  17.5159      0.863953 18.3802      1.2499   16.7251      1.19554  4.27234  0.146278  4.07537  0.146679  
1 1 1 25 23 28 o 3.0283   0.148973  9.24374      0.902271 8.62471      1.31351  9.79679      1.24154  2.91008  0.225682  3.10761  0.199758  
1 1 1 25 23 29 o 1.77219  0.223118  3.20255      0.790814 3.22304      1.13469  3.18321      1.10275  1.72957  0.340148  1.72111  0.332218  
1 1 1 25 23 30 o 2.56518  0.168549  6.67054      0.864718 7.34496      1.24032  6.03274      1.20618  2.67583  0.231764  2.42031  0.24918   
1 1 1 25 23 31 o 2.02259  0.214423  4.1943       0.86738  3.1221       1.19899  5.37152      1.25634  1.67675  0.36758   2.27016  0.276707  
1 1 1 25 23 32 f 1.02063  0.352729  1.05274      0.876955 2.24181      1.24011  -0.136666    1.24029  1.4057   0.413707  0.851685 0.375233  
1 1 1 25 23 33 o 2.05997  0.249233  4.43312      1.02683  4.17317      1.38621  4.74919      1.5285   1.92402  0.373571  2.04719  0.387411  
1 1 1 25 23 34 f 1.53523  0.302345  2.59309      0.895274 2.74957      1.26025  2.43365      1.27205  1.53566  0.404623  1.44238  0.417249  
1 1 1 25 23 35 o 1.85332  0.253676  3.63231      0.940285 5.67924      1.37119  1.81535      1.29188  2.29302  0.298992  1.25564  0.428501  
1 1 1 25 23 36 o 0.698491 0.313588  -0.207337    0.912422 -0.377025    1.2404   -0.00725884  1.34689  0.784326 0.357223  0.867447 0.385447  
1 1 1 25 23 37 o 1.26608  0.344076  1.92307      0.893891 1.40934      1.26233  2.43978      1.26598  1.10638  0.417672  1.3776   0.420784  
1 1 1 25 23 38 o 0.96282  0.36496   1.04845      0.967087 2.08698      1.35693  -0.0236057   1.37866  1.23148  0.437459  0.836544 0.379826  
1 1 1 25 23 39 o 1.20431  0.365501  1.91731      0.957218 0.696566     1.37922  3.05174      1.32957  0.921516 0.400883  1.4583   0.428108  
1 1 1 25 23 40 o 0.770157 0.338859  0.396268     1.00856  -0.180533    1.42973  0.967601     1.42294  0.77091  0.3619    0.917726 0.403148  
1 1 1 25 23 41 o 0.842459 0.361238  0.976414     1.0902   1.42211      1.67528  0.649029     1.43582  0.920231 0.418056  0.818426 0.377114  
1 1 1 25 23 42 o 0.695174 0.321071  0.212678     1.04872  1.07676      1.46417  -0.697607    1.50281  0.843476 0.385377  0.677851 0.331578  
1 1 1 25 24 0  o 9.64192  0.104677  93.0115      2.01805  93.0115      2.01805  93.0115      2.01805  9.64308  0.0739994 ?        ?         
1 1 1 25 24 1  o 9.49021  0.073443  90.0756      1.39398  90.5796      1.98138  89.5817      1.96154  9.5161   0.104107  9.46355  0.103636  
1 1 1 25 24 2  o 4.32148  0.0676559 18.6772      0.584747 18.1499      0.814642 19.2377      0.839849 4.2598   0.0956197 4.3856   0.0957508 
1 1 1 25 24 3  o 13.1233  0.0963356 172.26       2.52848  174.097      3.64275  170.553      3.51244  13.1915  0.138072  13.0567  0.134508  
1 1 1 25 24 4  o 15.5158  0.118435  240.824      3.67522  235.483      5.08962  246.644      5.31265  15.3402  0.165892  15.6992  0.169201  
1 1 1 25 24 5  o 10.7602  0.0957997 115.81       2.06165  114.386      2.84896  117.375      2.98717  10.6927  0.13322   10.8313  0.137895  
1 1 1 25 24 6  o 7.84216  0.0819126 61.5105      1.28474  59.3216      1.78205  63.8795      1.85388  7.70066  0.115708  7.99101  0.115998  
1 1 1 25 24 7  o 15.4737  0.132686  239.555      4.1063   239.348      5.80479  239.763      5.8096   15.4632  0.187697  15.4766  0.18769   
1 1 1 25 24 8  o 20.4079  0.154271  416.776      6.29667  417.302      9.0254   416.277      8.78899  20.4131  0.221069  20.3888  0.215535  
1 1 1 25 24 9  o 14.7035  0.116349  216.286      3.42148  218.934      4.8268   213.611      4.8507   14.7902  0.163176  14.6091  0.166017  
1 1 1 25 24 10 o 6.84476  0.0802289 46.8612      1.09829  47.1846      1.51642  46.5044      1.59284  6.86764  0.110404  6.81779  0.116815  
1 1 1 25 24 11 o 4.50051  0.0749979 20.2591      0.675057 19.8581      0.934926 20.696       0.975731 4.45525  0.104924  4.54823  0.107265  
1 1 1 25 24 12 o 13.5182  0.106676  182.836      2.88415  182.432      4.17615  183.205      3.98795  13.4994  0.15468   13.5286  0.14739   
1 1 1 25 24 13 o 7.60257  0.0871278 57.8213      1.32479  59.6947      2.00649  56.3734      1.76393  7.72294  0.129905  7.50561  0.117507  
1 1 1 25 24 14 o 10.2851  0.0832646 105.824      1.71276  105.503      2.43732  106.138      2.40739  10.2674  0.118692  10.2983  0.116882  
1 1 1 25 24 15 o 3.91536  0.0865414 15.3373      0.677681 15.8133      0.98329  14.9066      0.935282 3.97465  0.123695  3.8591   0.121179  
1 1 1 25 24 16 o 5.12506  0.0800011 26.2784      0.82002  26.2164      1.16485  26.3392      1.15459  5.11778  0.113804  5.1298   0.112537  
1 1 1 25 24 17 o 14.2371  0.119001  202.94       3.38846  205.265      4.71915  200.467      4.86835  14.3103  0.164886  14.1406  0.172141  
1 1 1 25 24 18 o 5.12925  0.081183  26.3273      0.832816 25.209       1.13497  27.6318      1.22583  5.01754  0.1131    5.2529   0.116681  
1 1 1 25 24 19 o 3.39102  0.106255  11.5139      0.720625 11.7875      1.01778  11.239       1.02046  3.42894  0.14841   3.34798  0.1524    
1 1 1 25 24 20 o 2.97482  0.118249  8.86621      0.703538 8.02262      1.01403  9.64917      0.976914 2.82631  0.179392  3.10113  0.157509  
1 1 1 25 24 21 o 0.590136 0.266701  -0.358139    0.670792 0.765582     0.954038 -1.4568      0.943338 0.981506 0.364643  0.571275 0.275636  
1 1 1 25 24 22 o 1.5261   0.20614   2.34632      0.629178 2.238        0.892982 2.45311      0.886637 1.45563  0.315613  1.52878  0.300695  
1 1 1 25 24 23 f 2.27672  0.14733   5.20593      0.670859 4.46839      0.94407  5.95823      0.953476 2.10334  0.224422  2.43166  0.196054  
1 1 1 25 24 24 o 2.9259   0.122377  8.5894       0.716126 6.59894      1.0054   10.6392      1.02028  2.55793  0.196526  3.25294  0.156824  
1 1 1 25 24 25 o 2.53721  0.145159  6.47317      0.736596 6.34322      1.04426  6.60184      1.03916  2.50437  0.208489  2.55561  0.20331   
1 1 1 25 24 26 o 6.45775  0.0924061 41.8093      1.19347  44.2278      1.76523  39.7729      1.61978  6.63288  0.133067  6.29103  0.128738  
1 1 1 25 24 27 f 5.09962  0.0968685 26.0902      0.987985 25.9606      1.39237  26.2215      1.40213  5.0786   0.137082  5.10399  0.137356  
1 1 1 25 24 28 o 3.23866  0.135076  10.5582      0.874928 10.9204      1.26639  10.2275      1.21019  3.28235  0.192909  3.17705  0.190458  
1 1 1 25 24 29 o 3.75832  0.119189  14.2056      0.895898 14.6672      1.25094  13.7195      1.28368  3.80899  0.164209  3.68134  0.174349  
1 1 1 25 24 30 o 3.26319  0.135666  10.7471      0.885407 11.3332      1.28362  10.2151      1.22289  3.33562  0.192411  3.16662  0.193091  
1 1 1 25 24 31 o 1.20712  0.344677  1.6017       0.873594 1.73873      1.24758  1.46986      1.22367  1.26678  0.42109   1.1917   0.416198  
1 1 1 25 24 32 o 2.219    0.207815  5.05995      0.922286 4.29298      1.29347  5.85317      1.31543  2.00583  0.322428  2.361    0.278574  
1 1 1 25 24 33 o 0.938535 0.362575  0.732633     0.968036 0.454291     1.36362  1.01542      1.37447  0.97912  0.411206  1.09112  0.429631  
1 1 1 25 24 34 o 3.63867  0.137923  13.4474      1.00371  13.2945      1.44269  13.5909      1.39733  3.58699  0.201101  3.63172  0.192378  
1 1 1 25 24 35 o 1.50378  0.315246  2.55588      0.917732 3.03423      1.3086   2.0929       1.2874   1.58681  0.409649  1.32069  0.427649  
1 1 1 25 24 36 o 1.81564  0.255638  3.56006      0.928294 3.68792      1.25457  3.40537      1.37999  1.75785  0.368644  1.6489   0.417769  
1 1 1 25 24 37 o 1.11687  0.358634  1.51005      0.90678  1.2573       1.26625  1.77611      1.29915  1.06261  0.413815  1.18755  0.427421  
1 1 1 25 24 38 o 2.15311  0.229633  5.08322      0.98885  5.19566      1.40104  4.97162      1.39586  2.07314  0.337904  1.98839  0.364605  
1 1 1 25 24 39 f 1.16577  0.378784  1.88155      1.00948  2.14874      1.41601  1.6054       1.43954  1.18198  0.44322   1.0665   0.432309  
1 1 1 25 24 40 o 0.880944 0.360479  0.960604     1.01095  0.69108      1.435    1.22618      1.42446  0.873578 0.392691  0.953058 0.410889  
1 1 1 25 24 41 f 1.43674  0.371914  3.23239      1.07675  2.47441      1.57546  3.8968       1.47501  1.05785  0.443026  1.39652  0.457867  
1 1 1 25 24 42 o 0.583344 0.287267  -0.98344     1.16488  -2.9102      1.61461  1.10817      1.68226  0.565496 0.286174  0.826064 0.38906   
1 1 1 25 25 0  o 7.7533   0.13421   60.1815      2.07973  60.1815      2.07973  60.1815      2.07973  7.75548  0.0948416 ?        ?         
1 1 1 25 25 1  o 18.3545  0.177094  337.118      6.49958  337.118      6.49958  337.118      6.49958  18.3576  0.12519   ?        ?         
1 1 1 25 25 2  o 19.9379  0.195357  397.83       7.78831  397.83       7.78831  397.83       7.78831  19.9418  0.138096  ?        ?         
1 1 1 25 25 3  o 12.5535  0.137652  157.687      3.4551   157.687      3.4551   157.687      3.4551   12.5554  0.0973067 ?        ?         
1 1 1 25 25 4  o 5.32058  0.116022  28.3541      1.23328  28.3541      1.23328  28.3541      1.23328  5.32272  0.0819626 ?        ?         
1 1 1 25 25 5  o 4.9      0.125424  24.0624      1.22734  24.0624      1.22734  24.0624      1.22734  4.90267  0.088574  ?        ?         
1 1 1 25 25 6  o 24.0972  0.26485   581.475      12.7608  581.475      12.7608  581.475      12.7608  24.1054  0.187187  ?        ?         
1 1 1 25 25 7  o 9.91797  0.133828  98.4466      2.65352  98.4466      2.65352  98.4466      2.65352  9.92     0.0945921 ?        ?         
1 1 1 25 25 8  o 7.80748  0.114054  61.0085      1.78009  61.0085      1.78009  61.0085      1.78009  7.80914  0.0806117 ?        ?         
1 1 1 25 25 9  o 12.5734  0.156879  158.234      3.94361  158.234      3.94361  158.234      3.94361  12.5763  0.110885  ?        ?         
1 1 1 25 25 10 o 13.2758  0.168941  176.434      4.48402  176.434      4.48402  176.434      4.48402  13.2793  0.119406  ?        ?         
1 1 1 25 25 11 o 2.98258  0.130588  8.95027      0.775579 8.95027      0.775579 8.95027      0.775579 2.98717  0.0919929 ?        ?         
1 1 1 25 25 12 o 4.31797  0.112957  18.689       0.973984 18.689       0.973984 18.689       0.973984 4.32053  0.0797635 ?        ?         
1 1 1 25 25 13 o 8.31716  0.105375  69.2298      1.75221  69.2298      1.75221  69.2298      1.75221  8.3188   0.0744833 ?        ?         
1 1 1 25 25 14 o 18.9934  0.189832  361.26       7.2095   361.26       7.2095   361.26       7.2095   19.0001  0.134169  ?        ?         
1 1 1 25 25 15 o 8.69807  0.112843  75.7282      1.96229  75.7282      1.96229  75.7282      1.96229  8.70012  0.0797581 ?        ?         
1 1 1 25 25 16 o 14.4024  0.16274   207.731      4.68637  207.731      4.68637  207.731      4.68637  14.4076  0.115017  ?        ?         
1 1 1 25 25 17 o 7.97146  0.116478  63.6273      1.85611  63.6273      1.85611  63.6273      1.85611  7.97407  0.0823157 ?        ?         
1 1 1 25 25 18 o 2.33215  0.190228  5.55725      0.873697 5.55725      0.873697 5.55725      0.873697 2.34507  0.132694  ?        ?         
1 1 1 25 25 19 o 5.32961  0.123448  28.4776      1.31426  28.4776      1.31426  28.4776      1.31426  5.33303  0.0871815 ?        ?         
1 1 1 25 25 20 o 0.515835 0.342842  -0.163514    0.901098 -0.163514    0.901098 -0.163514    0.901098 0.424741 0.283812  ?        ?         
1 1 1 25 25 21 o 5.06972  0.122808  25.7787      1.24355  25.7787      1.24355  25.7787      1.24355  5.07349  0.0867159 ?        ?         
1 1 1 25 25 22 o 1.03123  0.428114  1.51469      0.874967 1.51469      0.874967 1.51469      0.874967 1.11048  0.32142   ?        ?         
1 1 1 25 25 23 o 1.99628  0.241712  4.18039      0.933055 4.18039      0.933055 4.18039      0.933055 2.0217   0.165734  ?        ?         
1 1 1 25 25 24 o 2.73444  0.188639  7.61452      1.02037  7.61452      1.02037  7.61452      1.02037  2.74714  0.132015  ?        ?         
1 1 1 25 25 25 o 0.588183 0.379229  0.0900785    0.999113 0.0900785    0.999113 0.0900785    0.999113 0.502291 0.322087  ?        ?         
1 1 1 25 25 26 o 1.95234  0.285834  4.09201      1.04524  4.09201      1.04524  4.09201      1.04524  1.99085  0.189572  ?        ?         
1 1 1 25 25 27 o 2.43353  0.24622   6.16371      1.17024  6.16371      1.17024  6.16371      1.17024  2.45891  0.170133  ?        ?         
1 1 1 25 25 28 o 3.36158  0.175106  11.4581      1.16998  11.4581      1.16998  11.4581      1.16998  3.37338  0.122993  ?        ?         
1 1 1 25 25 29 o 5.37412  0.136607  29.0561      1.46614  29.0561      1.46614  29.0561      1.46614  5.38225  0.0963785 ?        ?         
1 1 1 25 25 30 o 0.803167 0.460534  0.924788     1.15501  0.924788     1.15501  0.924788     1.15501  0.776134 0.405722  ?        ?         
1 1 1 25 25 31 o 0.617185 0.402406  0.0554992    1.16855  0.0554992    1.16855  0.0554992    1.16855  0.5264   0.341296  ?        ?         
1 1 1 25 25 32 o 0.770434 0.472243  0.688084     1.3648   0.688084     1.3648   0.688084     1.3648   0.708793 0.414765  ?        ?         
1 1 1 25 25 33 o 0.643143 0.426583  -0.0677883   1.38577  -0.0677883   1.38577  -0.0677883   1.38577  0.543866 0.359968  ?        ?         
1 1 1 25 25 34 o 0.985895 0.504827  1.60233      1.24804  1.60233      1.24804  1.60233      1.24804  1.03904  0.42971   ?        ?         
1 1 1 25 25 35 o 0.567007 0.385911  -0.380853    1.27479  -0.380853    1.27479  -0.380853    1.27479  0.467021 0.319908  ?        ?         
1 1 1 25 25 36 o 1.21576  0.517123  2.35256      1.26968  2.35256      1.26968  2.35256      1.26968  1.35533  0.382896  ?        ?         
1 1 1 25 25 37 o 0.680114 0.437921  0.428762     1.32566  0.428762     1.32566  0.428762     1.32566  0.613742 0.38346   ?        ?         
1 1 1 25 25 38 o 0.703873 0.450156  0.607872     1.37211  0.607872     1.37211  0.607872     1.37211  0.651765 0.398832  ?        ?         
1 1 1 25 25 39 o 0.456104 0.330228  -1.71256     1.42865  -1.71256     1.42865  -1.71256     1.42865  0.357664 0.262229  ?        ?         
1 1 1 25 25 40 o 1.29255  0.557681  3.16573      1.47236  3.16573      1.47236  3.16573      1.47236  1.53719  0.39234   ?        ?         
1 1 1 25 25 41 o 0.543263 0.382308  -0.31435     1.51226  -0.31435     1.51226  -0.31435     1.51226  0.472463 0.329299  ?        ?         
1 1 1 25 25 42 o 0.651512 0.441917  1.01073      1.6523   1.01073      1.6523   1.01073      1.6523   0.648428 0.415029  ?        ?         
1 1 1 26 0  0  o 6.10839  0.145493  37.3865      1.77518  37.3865      1.77518  37.3865      1.77518  6.11142  0.102762  ?        ?         
1 1 1 26 0  1  o 7.64119  0.0825979 58.4136      1.26196  58.4136      1.26196  58.4136      1.26196  7.64203  0.0583914 ?        ?         
1 1 1 26 0  2  o 8.11808  0.0864236 65.9321      1.40283  65.9321      1.40283  65.9321      1.40283  8.11896  0.0610962 ?        ?         
1 1 1 26 0  3  o 5.70632  0.0858774 32.5873      0.979587 32.5873      0.979587 32.5873      0.979587 5.70742  0.0606972 ?        ?         
1 1 1 26 0  4  o 25.4711  0.244708  649.455      12.4634  649.455      12.4634  649.455      12.4634  25.4777  0.172972  ?        ?         
1 1 1 26 0  5  o 15.5298  0.155258  241.321      4.82119  241.321      4.82119  241.321      4.82119  15.5322  0.109755  ?        ?         
1 1 1 26 0  6  o 3.97637  0.0801867 15.8321      0.637119 15.8321      0.637119 15.8321      0.637119 3.97766  0.0566561 ?        ?         
1 1 1 26 0  7  o 0.940859 0.283816  1.09631      0.464827 1.09631      0.464827 1.09631      0.464827 1.00101  0.182253  ?        ?         
1 1 1 26 0  8  o 21.4616  0.217605  460.995      9.33815  460.995      9.33815  460.995      9.33815  21.4661  0.15382   ?        ?         
1 1 1 26 0  9  o 20.8731  0.212604  436.03       8.87332  436.03       8.87332  436.03       8.87332  20.8772  0.150287  ?        ?         
1 1 1 26 0  10 o 11.8137  0.11951   139.623      2.82306  139.623      2.82306  139.623      2.82306  11.8149  0.0844877 ?        ?         
1 1 1 26 0  11 o 12.2406  0.152435  149.931      3.73049  149.931      3.73049  149.931      3.73049  12.2426  0.107751  ?        ?         
1 1 1 26 0  12 o 22.175   0.215934  492.039      9.57464  492.039      9.57464  492.039      9.57464  22.1784  0.152649  ?        ?         
1 1 1 26 0  13 o 12.1799  0.124686  148.414      3.03662  148.414      3.03662  148.414      3.03662  12.1812  0.0881466 ?        ?         
1 1 1 26 0  14 f 6.31367  0.110828  39.9029      1.39849  39.9029      1.39849  39.9029      1.39849  6.31527  0.0783198 ?        ?         
1 1 1 26 0  15 o 25.4753  0.242175  649.473      12.3365  649.473      12.3365  649.473      12.3365  25.48    0.171195  ?        ?         
1 1 1 26 0  16 o 4.23156  0.121674  17.953       1.02782  17.953       1.02782  17.953       1.02782  4.23434  0.0858994 ?        ?         
1 1 1 26 0  17 o 22.645   0.222378  513.209      10.0693  513.209      10.0693  513.209      10.0693  22.6496  0.157196  ?        ?         
1 1 1 26 0  18 o 17.3921  0.172554  302.672      6.00082  302.672      6.00082  302.672      6.00082  17.3947  0.121982  ?        ?         
1 1 1 26 0  19 o 13.4521  0.160534  181.094      4.31766  181.094      4.31766  181.094      4.31766  13.4546  0.113476  ?        ?         
1 1 1 26 0  20 o 10.4836  0.132446  109.985      2.77602  109.985      2.77602  109.985      2.77602  10.4855  0.0936197 ?        ?         
1 1 1 26 0  21 o 0.901751 0.488995  1.16647      1.22117  1.16647      1.22117  1.16647      1.22117  0.888302 0.425543  ?        ?         
1 1 1 26 0  22 o 5.64461  0.142907  31.9371      1.61097  31.9371      1.61097  31.9371      1.61097  5.64795  0.100917  ?        ?         
1 1 1 26 0  23 o 15.9236  0.169204  253.842      5.3873   253.842      5.3873   253.842      5.3873   15.928   0.119597  ?        ?         
1 1 1 26 0  24 o 8.91283  0.128279  79.53        2.28559  79.53        2.28559  79.53        2.28559  8.91538  0.09066   ?        ?         
1 1 1 26 0  25 o 2.24609  0.271796  5.27713      1.18052  5.27713      1.18052  5.27713      1.18052  2.27297  0.186516  ?        ?         
1 1 1 26 0  26 o 1.35204  0.493194  2.45438      1.22446  2.45438      1.22446  2.45438      1.22446  1.45776  0.342109  ?        ?         
1 1 1 26 0  27 o 0.971966 0.495971  1.41533      1.20222  1.41533      1.20222  1.41533      1.20222  0.994056 0.423173  ?        ?         
1 1 1 26 0  28 o 1.43098  0.479337  2.66256      1.22049  2.66256      1.22049  2.66256      1.22049  1.53852  0.317814  ?        ?         
1 1 1 26 0  29 o 0.478432 0.337062  -1.12596     1.18197  -1.12596     1.18197  -1.12596     1.18197  0.368467 0.264839  ?        ?         
1 1 1 26 0  30 o 7.13349  0.132852  51.0334      1.89391  51.0334      1.89391  51.0334      1.89391  7.13866  0.0938356 ?        ?         
1 1 1 26 0  31 o 11.3656  0.157787  129.659      3.58513  129.659      3.58513  129.659      3.58513  11.3762  0.111444  ?        ?         
1 1 1 26 0  32 f 1.80325  0.40619   3.76629      1.27597  3.76629      1.27597  3.76629      1.27597  1.88498  0.249031  ?        ?         
1 1 1 26 0  33 o 6.16425  0.163784  38.2613      2.01599  38.2613      2.01599  38.2613      2.01599  6.1749   0.11552   ?        ?         
1 1 1 26 0  34 o 4.23817  0.18406   18.1812      1.55346  18.1812      1.55346  18.1812      1.55346  4.25113  0.129469  ?        ?         
1 1 1 26 0  35 o 0.529719 0.368322  -0.913234    1.31112  -0.913234    1.31112  -0.913234    1.31112  0.417389 0.295155  ?        ?         
1 1 1 26 0  36 o 1.34977  0.530767  2.64028      1.36849  2.64028      1.36849  2.64028      1.36849  1.47868  0.37918   ?        ?         
1 1 1 26 0  37 o 5.51621  0.162138  30.7613      1.78528  30.7613      1.78528  30.7613      1.78528  5.53119  0.114225  ?        ?         
1 1 1 26 0  38 o 0.923489 0.52888   1.32845      1.52118  1.32845      1.52118  1.32845      1.52118  0.910462 0.468115  ?        ?         
1 1 1 26 0  39 o 3.6589   0.230552  13.852       1.67178  13.852       1.67178  13.852       1.67178  3.69082  0.160839  ?        ?         
1 1 1 26 0  40 o 3.06532  0.268976  9.97143      1.61979  9.97143      1.61979  9.97143      1.61979  3.11259  0.185498  ?        ?         
1 1 1 26 0  41 o 0.72466  0.461264  0.540426     1.42582  0.540426     1.42582  0.540426     1.42582  0.658091 0.404644  ?        ?         
1 1 1 26 0  42 o 0.900739 0.515677  1.49726      1.44563  1.49726      1.44563  1.49726      1.44563  0.928947 0.460474  ?        ?         
1 1 1 26 0  43 o 0.63572  0.425726  0.109399     1.45254  0.109399     1.45254  0.109399     1.45254  0.557659 0.368886  ?        ?         
1 1 1 26 0  44 o 0.759808 0.486247  1.06381      1.60322  1.06381      1.60322  1.06381      1.60322  0.746129 0.44368   ?        ?         
1 1 1 26 0  45 o 0.59181  0.414078  -0.12337     1.72405  -0.12337     1.72405  -0.12337     1.72405  0.524824 0.363255  ?        ?         
1 1 1 26 0  46 o 0.565087 0.402929  -0.338447    1.83039  -0.338447    1.83039  -0.338447    1.83039  0.500008 0.352394  ?        ?         
1 1 1 26 1  0  f 1.48945  0.135626  2.27368      0.396313 2.27368      0.396313 2.27368      0.396313 1.49894  0.0943341 ?        ?         
1 1 1 26 1  1  o 11.3241  0.0791407 128.256      1.7924   127.673      2.49902  128.874      2.57223  11.2974  0.110601  11.3504  0.11331   
1 1 1 26 1  2  o 19.9922  0.133446  399.874      5.33578  402.585      7.59495  397.232      7.49785  20.0551  0.189352  19.9215  0.188185  
1 1 1 26 1  3  o 16.8443  0.11447   283.824      3.85634  283.962      5.39747  283.68       5.5117   16.8456  0.160204  16.837   0.163678  
1 1 1 26 1  4  f 4.97667  0.0502292 24.7688      0.499948 24.0211      0.691137 25.5894      0.72408  4.90082  0.0705123 5.05827  0.0715739 
1 1 1 26 1  5  o 9.95656  0.0727566 99.1461      1.44881  99.9698      2.06411  98.3461      2.03408  9.99716  0.103235  9.91566  0.102569  
1 1 1 26 1  6  o 6.28526  0.0578196 39.5076      0.726822 39.4298      0.98672  39.5999      1.07466  6.27884  0.078575  6.29228  0.0853954 
1 1 1 26 1  7  o 4.31039  0.0558556 18.5808      0.481518 18.9804      0.687299 18.1956      0.674812 4.35633  0.0788851 4.26531  0.0791048 
1 1 1 26 1  8  o 13.9173  0.100168  193.736      2.78814  193.18       4.02838  194.248      3.86289  13.8955  0.144952  13.9342  0.138612  
1 1 1 26 1  9  o 11.4723  0.0855394 131.633      1.96267  132.753      2.85544  130.631      2.70217  11.5201  0.123933  11.4278  0.118228  
1 1 1 26 1  10 o 13.0471  0.0934347 170.253      2.4381   171.16       3.54731  169.44       3.35658  13.0807  0.135593  13.015   0.128951  
1 1 1 26 1  11 o 14.1942  0.102276  201.509      2.90346  202.708      4.17643  200.387      4.03922  14.2351  0.146695  14.1535  0.142693  
1 1 1 26 1  12 o 6.33739  0.063478  40.1649      0.80457  40.2156      1.13878  40.1143      1.13689  6.3412   0.0897922 6.33321  0.0897561 
1 1 1 26 1  13 o 10.0891  0.0787051 101.799      1.58813  99.932       2.16192  103.987      2.3406   9.99572  0.108143  10.1964  0.114776  
1 1 1 26 1  14 o 31.585   0.225466  998.37       14.2427  997.203      20.6203  999.434      19.6959  31.5526  0.32676   31.5902  0.31174   
1 1 1 26 1  15 o 7.57893  0.069976  57.4449      1.06069  57.5898      1.48132  57.2925      1.51948  7.58818  0.0976073 7.56853  0.100382  
1 1 1 26 1  16 o 16.042   0.116328  257.412      3.73225  259.035      5.24744  255.751      5.3095   16.0904  0.163061  15.9879  0.166048  
1 1 1 26 1  17 o 3.94053  0.0886175 15.5303      0.6984   15.1379      0.989528 15.9198      0.985855 3.89008  0.127186  3.98932  0.123562  
1 1 1 26 1  18 o 2.88558  0.126057  8.32953      0.727494 8.558        1.03019  8.10227      1.02747  2.92438  0.176139  2.8454   0.18055   
1 1 1 26 1  19 o 16.7972  0.139496  282.285      4.68629  281.973      6.70937  282.582      6.54838  16.7834  0.199881  16.8019  0.19487   
1 1 1 26 1  20 o 2.1051   0.185015  4.43591      0.778949 4.86679      1.0889   3.98432      1.11476  2.20409  0.247017  1.99377  0.27956   
1 1 1 26 1  21 o 11.6231  0.110526  135.155      2.56932  134.119      3.55187  136.292      3.72116  11.5761  0.153414  11.6691  0.159445  
1 1 1 26 1  22 o 8.26099  0.0923192 68.2706      1.5253   67.529       2.08173  69.1303      2.24128  8.21456  0.12671   8.31098  0.134839  
1 1 1 26 1  23 o 12.6231  0.101519  159.434      2.56297  159.182      3.58461  159.697      3.66594  12.6097  0.142137  12.6298  0.145131  
1 1 1 26 1  24 o 5.20941  0.0967877 27.1549      1.00841  27.5498      1.42567  26.7594      1.42655  5.24552  0.135894  5.16963  0.137974  
1 1 1 26 1  25 o 1.96459  0.210202  3.87405      0.825924 3.92716      1.15953  3.81935      1.17673  1.97448  0.293629  1.94677  0.302226  
1 1 1 26 1  26 o 1.97026  0.220544  3.90231      0.869059 4.89197      1.21049  2.84958      1.24846  2.20285  0.274754  1.64265  0.386105  
1 1 1 26 1  27 o 5.48349  0.103639  30.1105      1.1366   31.256       1.58752  28.9059      1.62805  5.58339  0.142164  5.36842  0.151632  
1 1 1 26 1  28 o 8.92575  0.0948395 79.7785      1.69303  77.8604      2.383    81.7335      2.40577  8.81141  0.135222  9.02828  0.133235  
1 1 1 26 1  29 o 4.29659  0.114894  18.506       0.987309 18.3583      1.35871  18.6711      1.43712  4.27463  0.158928  4.30988  0.166723  
1 1 1 26 1  30 o 2.63078  0.166311  6.96183      0.875059 7.63983      1.23183  6.27116      1.24329  2.74948  0.224013  2.48786  0.249871  
1 1 1 26 1  31 o 8.17769  0.101396  67.0543      1.65837  68.0395      2.38902  66.1382      2.30388  8.22609  0.14521   8.1113   0.142017  
1 1 1 26 1  32 o 3.5192   0.141411  12.4607      0.995309 11.5034      1.39594  13.4506      1.41951  3.36953  0.207142  3.64635  0.194648  
1 1 1 26 1  33 o 6.08742  0.110085  37.2187      1.34027  37.4528      1.88498  36.9794      1.90606  6.09348  0.154672  6.05391  0.157424  
1 1 1 26 1  34 f 0.731634 0.325752  -0.310289    0.966587 1.69691      1.39394  -2.16927     1.34149  1.29139  0.444862  0.661935 0.321411  
1 1 1 26 1  35 o 1.6998   0.278954  3.00132      0.948335 3.95376      1.3252   2.00161      1.35768  1.90161  0.36149   1.3551   0.439205  
1 1 1 26 1  36 o 1.25363  0.360215  1.73616      0.951204 0.539989     1.29628  3.13165      1.40013  0.992313 0.407479  1.65605  0.421539  
1 1 1 26 1  37 o 3.19658  0.168624  10.4069      1.07804  10.2887      1.49248  10.5357      1.55885  3.15037  0.236874  3.18414  0.244783  
1 1 1 26 1  38 o 1.81047  0.297585  3.49731      1.07754  3.81618      1.50905  3.16559      1.53914  1.8037   0.424833  1.62597  0.455351  
1 1 1 26 1  39 o 1.48381  0.370508  2.55371      1.09737  3.78726      1.52883  1.24274      1.57608  1.77411  0.433879  1.15659  0.458585  
1 1 1 26 1  40 o 0.652996 0.307992  -0.931315    1.06161  -1.18984     1.45645  -0.638253    1.55067  0.757134 0.358542  0.842759 0.389686  
1 1 1 26 1  41 o 1.38342  0.357564  2.31595      0.996236 2.42013      1.42389  2.21605      1.39436  1.35763  0.449862  1.30757  0.445173  
1 1 1 26 1  42 o 0.702535 0.320572  -0.261656    1.00918  -0.463042    1.42914  -0.0613656   1.42525  0.7929   0.369487  0.840665 0.382892  
1 1 1 26 1  43 o 0.938186 0.379508  1.00798      1.10615  -1.51987     1.55674  3.58581      1.57205  0.706442 0.343963  1.51104  0.470404  
1 1 1 26 1  44 o 0.879767 0.372662  0.909641     1.1359   1.33875      1.58384  0.455174     1.62996  0.976115 0.427085  0.866351 0.400186  
1 1 1 26 1  45 o 0.831437 0.37021   0.966972     1.24858  0.498066     1.72145  1.48747      1.81368  0.805471 0.384622  0.90172  0.418664  
1 1 1 26 1  46 o 0.62594  0.305695  -0.513808    1.26391  0.572819     1.80212  -1.56573     1.77311  0.75663  0.368699  0.632502 0.318248  
1 1 1 26 2  0  o 2.82892  0.0787747 8.02203      0.444913 8.02203      0.444913 8.02203      0.444913 2.83062  0.0556194 ?        ?         
1 1 1 26 2  1  o 19.124   0.129069  365.885      4.93665  368.87       6.96315  362.868      6.99994  19.1979  0.181352  19.0408  0.183814  
1 1 1 26 2  2  o 9.32866  0.0683395 87.0341      1.27503  87.1285      1.77038  86.9324      1.83785  9.33319  0.094843  9.3226   0.0985696 
1 1 1 26 2  3  o 19.4364  0.132801  377.94       5.16233  381.965      7.37247  374.069      7.23086  19.5351  0.188698  19.3323  0.187015  
1 1 1 26 2  4  o 20.5781  0.141909  423.667      5.84043  421.689      8.13699  425.77       8.38796  20.525   0.198222  20.6236  0.203359  
1 1 1 26 2  5  o 1.1668   0.129799  1.36198      0.3029   1.55721      0.428558 1.1671       0.428174 1.24743  0.171776  1.06147  0.209138  
1 1 1 26 2  6  o 3.83187  0.0575502 14.6844      0.44105  14.5553      0.624773 14.8126      0.62271  3.81483  0.0818873 3.84841  0.0809048 
1 1 1 26 2  7  o 2.60059  0.0728256 6.76388      0.378779 6.10342      0.520026 7.51029      0.552825 2.47019  0.105261  2.74016  0.100875  
1 1 1 26 2  8  o 15.5228  0.109463  241.019      3.39836  243.092      4.90488  239.105      4.71288  15.5873  0.157336  15.4592  0.15243   
1 1 1 26 2  9  o 11.0386  0.0819835 121.866      1.80996  122.67       2.60966  121.12       2.51246  11.0742  0.117826  11.0041  0.11416   
1 1 1 26 2  10 o 6.81904  0.0616507 46.5022      0.840796 47.016       1.20249  46.0106      1.17608  6.85638  0.0876914 6.78269  0.0866971 
1 1 1 26 2  11 o 14.3814  0.10109   206.856      2.90764  209.3        4.20258  204.613      4.02708  14.4649  0.145268  14.3021  0.140786  
1 1 1 26 2  12 o 12.8796  0.0946387 165.906      2.43782  165.201      3.47145  166.593      3.42423  12.8513  0.135062  12.9054  0.132667  
1 1 1 26 2  13 o 15.4383  0.116471  238.39       3.59622  240.025      5.18277  236.872      4.99412  15.4895  0.1673    15.3876  0.162278  
1 1 1 26 2  14 o 6.26274  0.0691149 39.2247      0.865697 38.7404      1.27092  39.644       1.18242  6.22367  0.102104  6.29591  0.0939038 
1 1 1 26 2  15 o 9.0667   0.0815716 82.2146      1.47917  79.3872      2.01459  85.5216      2.17877  8.90893  0.113066  9.24664  0.117814  
1 1 1 26 2  16 o 11.6354  0.0952982 135.408      2.21767  136.322      3.1144   134.468      3.15859  11.6736  0.133395  11.5939  0.136218  
1 1 1 26 2  17 o 3.62127  0.0945323 13.1161      0.684653 13.0067      0.970163 13.2245      0.966341 3.60579  0.134529  3.63587  0.13289   
1 1 1 26 2  18 o 12.8282  0.101109  164.601      2.59408  163.928      3.64127  165.294      3.69652  12.8004  0.142233  12.8536  0.143794  
1 1 1 26 2  19 o 5.05588  0.100785  25.5688      1.01912  26.7545      1.48035  24.5006      1.40509  5.17107  0.143138  4.94848  0.141972  
1 1 1 26 2  20 o 1.21872  0.320366  1.54431      0.7912   1.19352      1.11123  1.905        1.12679  1.14868  0.397051  1.36218  0.392266  
1 1 1 26 2  21 o 11.786   0.10932   138.971      2.5769   138.259      3.71094  139.635      3.58109  11.7528  0.157875  11.8116  0.151592  
1 1 1 26 2  22 o 4.86939  0.102631  23.7229      0.999503 21.5732      1.37604  26.1238      1.45422  4.64226  0.148208  5.10867  0.142329  
1 1 1 26 2  23 f 3.75564  0.117466  14.116       0.882322 14.5852      1.24658  13.645       1.249    3.81614  0.16333   3.69089  0.169201  
1 1 1 26 2  24 o 6.74073  0.0893695 45.4626      1.20483  46.2365      1.7325   44.7377      1.67664  6.79587  0.127467  6.68493  0.125405  
1 1 1 26 2  25 o 6.61949  0.0914356 43.8503      1.21051  44.382       1.7288   43.3388      1.69554  6.65697  0.129849  6.57834  0.128873  
1 1 1 26 2  26 o 1.02906  0.343942  1.01226      0.832315 1.3406       1.17543  0.682084     1.17872  1.19521  0.408733  1.02764  0.399449  
1 1 1 26 2  27 o 5.99173  0.100398  35.9495      1.20311  36.3623      1.67664  35.5113      1.7274   6.02226  0.139204  5.95071  0.145143  
1 1 1 26 2  28 o 2.04134  0.212872  4.19684      0.86909  3.77925      1.23392  4.60795      1.2243   1.92837  0.319938  2.13266  0.287035  
1 1 1 26 2  29 o 1.77006  0.233988  3.16585      0.828345 2.89238      1.13764  3.47444      1.20848  1.65025  0.35487   1.81519  0.345329  
1 1 1 26 2  30 o 3.16246  0.139426  10.0437      0.881861 10.302       1.23789  9.77761      1.2566   3.19666  0.193623  3.11314  0.201822  
1 1 1 26 2  31 o 1.02821  0.356026  1.00022      0.893787 2.45937      1.32547  -0.216499    1.21036  1.5093   0.422529  0.849535 0.372513  
1 1 1 26 2  32 o 3.78363  0.1314    14.3932      0.994339 13.0808      1.40073  15.7263      1.41175  3.59531  0.194799  3.9458   0.178893  
1 1 1 26 2  33 o 1.02947  0.367593  0.97726      0.959218 1.82186      1.34747  0.109519     1.3658   1.32252  0.437623  0.950485 0.405834  
1 1 1 26 2  34 o 1.01851  0.361192  0.974056     0.924685 1.59245      1.3176   0.373903     1.29802  1.25469  0.432481  0.975044 0.404831  
1 1 1 26 2  35 o 0.887184 0.351312  0.522879     0.923856 2.09141      1.27924  -1.18701     1.33564  1.37537  0.423571  0.74979  0.351589  
1 1 1 26 2  36 o 2.02142  0.24327   4.22654      0.983504 4.73972      1.32932  3.6059       1.46188  2.11722  0.31393   1.77953  0.4175    
1 1 1 26 2  37 o 0.811446 0.34731   0.105048     1.00456  0.829927     1.35788  -0.771312    1.49304  1.05749  0.423482  0.842217 0.386615  
1 1 1 26 2  38 f 2.85732  0.197935  8.40744      1.13112  7.95278      1.6079   8.85289      1.59153  2.73144  0.294331  2.89324  0.275043  
1 1 1 26 2  39 o 1.96329  0.273692  4.10903      1.07467  3.5872       1.48445  4.68374      1.55784  1.72685  0.430765  2.00085  0.403441  
1 1 1 26 2  40 o 0.923574 0.37208   0.689391     1.05721  1.8748       1.47237  -0.572216    1.51896  1.24649  0.454391  0.840216 0.387429  
1 1 1 26 2  41 o 0.670603 0.309443  -0.48097     0.971278 1.3272       1.37715  -2.27058     1.37006  1.09548  0.430462  0.629741 0.310189  
1 1 1 26 2  42 o 0.724502 0.32772   -0.112869    1.0151   -1.12091     1.44022  0.882248     1.43095  0.725898 0.34786   0.976253 0.416074  
1 1 1 26 2  43 o 1.19329  0.40139   2.04244      1.13357  1.3396       1.59511  2.75957      1.61124  1.02547  0.438239  1.29195  0.474908  
1 1 1 26 2  44 o 1.0491   0.401453  1.70569      1.17933  4.05513      1.70996  -0.425649    1.62866  1.47156  0.492986  0.77706  0.371785  
1 1 1 26 2  45 o 1.00675  0.406842  1.98986      1.26947  1.38958      1.74297  2.66807      1.85264  0.884643 0.410615  1.02574  0.454386  
1 1 1 26 2  46 o 0.757829 0.35116   0.928404     1.26788  0.802924     1.80558  1.05046      1.78077  0.751169 0.366578  0.768329 0.372207  
1 1 1 26 3  0  o 10.3463  0.102792  107.093      2.12658  107.093      2.12658  107.093      2.12658  10.3474  0.0726693 ?        ?         
1 1 1 26 3  1  f 9.68913  0.0688951 93.8903      1.33507  92.9281      1.87228  94.8856      1.90426  9.63878  0.0971223 9.73975  0.0977573 
1 1 1 26 3  2  o 5.59008  0.0508993 31.251       0.569062 30.5846      0.795437 31.9496      0.814449 5.52997  0.0719205 5.65203  0.0720492 
1 1 1 26 3  3  o 4.12465  0.0511325 17.0139      0.421808 17.3738      0.589834 16.6371      0.603453 4.16793  0.0707586 4.07859  0.0739781 
1 1 1 26 3  4  o 24.6503  0.167509  608.05       8.25829  613.758      11.5362  602.051      11.8273  24.7577  0.232982  24.5192  0.241183  
1 1 1 26 3  5  o 20.4674  0.144703  419.125      5.92341  415.221      8.39971  422.987      8.35441  20.3665  0.206214  20.5564  0.203207  
1 1 1 26 3  6  o 14.2694  0.102038  203.664      2.91202  201.366      3.99053  206.282      4.25901  14.187   0.14064   14.3588  0.148307  
1 1 1 26 3  7  o 2.85449  0.0676406 8.14891      0.386158 8.38649      0.556048 7.92758      0.536687 2.89564  0.0960146 2.81531  0.0953158 
1 1 1 26 3  8  o 18.298   0.12777   334.922      4.67585  339.724      6.93295  330.915      6.33299  18.4251  0.188138  18.1856  0.174121  
1 1 1 26 3  9  o 15.3967  0.110511  237.11       3.40301  237.217      4.82096  237.004      4.80425  15.3985  0.15654   15.3916  0.156067  
1 1 1 26 3  10 o 18.1248  0.12447   328.589      4.51198  331.322      6.36664  325.832      6.39526  18.1978  0.174929  18.0463  0.177191  
1 1 1 26 3  11 o 15.1493  0.104862  229.539      3.17717  232.605      4.54533  226.61       4.44282  15.2489  0.149038  15.0511  0.147591  
1 1 1 26 3  12 o 19.8822  0.140966  395.42       5.60544  396.92       7.77714  393.798      8.08648  19.9171  0.195238  19.8381  0.203812  
1 1 1 26 3  13 o 22.1667  0.166307  491.565      7.37293  494.422      10.9177  489.17       9.99685  22.2253  0.245614  22.1085  0.226086  
1 1 1 26 3  14 o 7.43383  0.0674204 55.2658      1.00238  56.5298      1.45283  54.1175      1.38478  7.51805  0.096623  7.35593  0.0941268 
1 1 1 26 3  15 o 26.6497  0.191179  710.684      10.1897  704.699      14.2916  716.873      14.5324  26.5283  0.269364  26.7561  0.271572  
1 1 1 26 3  16 o 8.7388   0.0751013 76.3756      1.31259  75.7986      1.84141  76.9716      1.87153  8.70523  0.105764  8.77232  0.106673  
1 1 1 26 3  17 o 15.6878  0.114896  246.178      3.60494  244.27       5.10702  248.074      5.08933  15.6246  0.163429  15.7459  0.161608  
1 1 1 26 3  18 f 10.5354  0.0947965 111.019      1.99744  109.973      2.84992  112.029      2.80035  10.4845  0.135912  10.5822  0.132315  
1 1 1 26 3  19 o 5.999    0.0879359 35.9956      1.05506  34.9344      1.47281  37.1142      1.51211  5.90927  0.124619  6.09085  0.12413   
1 1 1 26 3  20 o 25.0379  0.175622  627.508      8.79443  626.113      12.536   628.858      12.3407  24.9975  0.250746  25.0531  0.24629   
1 1 1 26 3  21 o 18.4838  0.148283  341.951      5.48169  345.197      7.89211  338.926      7.61963  18.5626  0.212581  18.3941  0.207122  
1 1 1 26 3  22 o 8.46597  0.0896368 71.7011      1.51772  70.3972      2.1538   72.9872      2.13905  8.38688  0.128403  8.53993  0.125238  
1 1 1 26 3  23 o 8.42771  0.0860309 71.0575      1.45009  72.4334      2.05318  69.6882      2.0483   8.50709  0.120674  8.34419  0.122738  
1 1 1 26 3  24 o 13.9312  0.107552  194.241      2.99666  192.724      4.19384  195.823      4.28341  13.8709  0.151174  13.9817  0.153179  
1 1 1 26 3  25 o 2.41099  0.172731  5.82929      0.832907 6.08468      1.16586  5.56306      1.19034  2.46021  0.236943  2.35152  0.253099  
1 1 1 26 3  26 o 1.5081   0.28685   2.36985      0.833999 2.79096      1.13036  1.86672      1.23555  1.62756  0.356997  1.35191  0.41626   
1 1 1 26 3  27 o 2.39156  0.189694  5.74806      0.907327 5.09692      1.30548  6.35649      1.26193  2.2445   0.290818  2.51023  0.251358  
1 1 1 26 3  28 o 2.22858  0.191408  4.99627      0.853139 4.87817      1.21864  5.10979      1.19475  2.19478  0.277624  2.24745  0.265802  
1 1 1 26 3  29 o 1.479    0.298183  2.30213      0.851093 2.27907      1.18059  2.32709      1.22806  1.46242  0.394526  1.47769  0.404058  
1 1 1 26 3  30 o 4.28762  0.112669  18.4363      0.966167 18.656       1.36618  18.2166      1.36655  4.3071   0.158596  4.25578  0.160553  
1 1 1 26 3  31 o 3.68207  0.137354  13.6287      1.0115   11.6928      1.43461  15.5425      1.42637  3.39869  0.211054  3.92458  0.181722  
1 1 1 26 3  32 o 3.79468  0.130851  14.4785      0.993074 13.636       1.41748  15.2906      1.39171  3.67061  0.193085  3.89021  0.178874  
1 1 1 26 3  33 f 4.2585   0.130919  18.2462      1.11504  18.4664      1.59965  18.0381      1.55511  4.27026  0.187301  4.22131  0.184197  
1 1 1 26 3  34 o 3.00434  0.166723  9.12659      1.00178  8.33522      1.35526  10.0798      1.48741  2.85477  0.237368  3.13949  0.236888  
1 1 1 26 3  35 o 2.31362  0.208468  5.47049      0.964633 4.68257      1.29991  6.43616      1.43908  2.11405  0.307445  2.48488  0.289567  
1 1 1 26 3  36 o 2.1981   0.220729  4.96994      0.970367 5.11983      1.32362  4.79578      1.42679  2.20504  0.300136  2.12048  0.33643   
1 1 1 26 3  37 o 3.5183   0.157609  12.5877      1.10903  13.5876      1.55219  11.5449      1.58515  3.63008  0.213796  3.33426  0.237706  
1 1 1 26 3  38 o 1.43052  0.367775  2.33876      1.05789  1.65924      1.49801  3.01478      1.49415  1.24824  0.458007  1.58842  0.449884  
1 1 1 26 3  39 o 2.37888  0.232023  5.92969      1.10391  4.85386      1.57082  6.97946      1.55168  2.03966  0.399309  2.5383   0.305653  
1 1 1 26 3  40 o 2.53211  0.218402  6.77359      1.10604  7.25755      1.55176  6.27383      1.57688  2.55855  0.303251  2.35356  0.334999  
1 1 1 26 3  41 o 0.854911 0.354499  0.512587     0.993336 1.95712      1.41541  -0.889387    1.3944   1.23478  0.445966  0.755335 0.355299  
1 1 1 26 3  42 o 2.36758  0.229992  6.1484       1.08905  5.74121      1.51847  6.57971      1.56279  2.16475  0.350727  2.33712  0.33434   
1 1 1 26 3  43 o 1.44313  0.383084  2.88759      1.12437  2.61412      1.57139  3.17449      1.60951  1.25619  0.467723  1.37372  0.477559  
1 1 1 26 3  44 o 0.558807 0.27679   -1.77504     1.15732  -1.16299     1.66803  -2.34319     1.60708  0.722389 0.352499  0.636885 0.317139  
1 1 1 26 3  45 o 0.852291 0.376505  1.17307      1.26011  2.24488      1.7398   -0.00961069  1.82757  0.974392 0.435346  0.762194 0.37139   
1 1 1 26 3  46 o 0.728198 0.34175   0.763657     1.2716   0.899679     1.79249  0.62585      1.80421  0.745312 0.364006  0.728392 0.358313  
1 1 1 26 4  0  o 9.08199  0.102007  82.5242      1.85233  82.5242      1.85233  82.5242      1.85233  9.08313  0.0721105 ?        ?         
1 1 1 26 4  1  o 6.54874  0.0549533 42.8892      0.71975  42.6713      1.00619  43.1174      1.02999  6.53185  0.0770216 6.56588  0.0784351 
1 1 1 26 4  2  o 10.9083  0.0796074 119.01       1.73677  122.415      2.46494  115.653      2.44748  11.0624  0.11141   10.7525  0.11381   
1 1 1 26 4  3  o 12.5369  0.0873252 157.202      2.18957  159.58       3.10521  154.85       3.08789  12.6302  0.122928  12.4415  0.124096  
1 1 1 26 4  4  o 16.1789  0.111716  261.834      3.61487  262.218      5.11869  261.453      5.10574  16.1883  0.158099  16.1647  0.157929  
1 1 1 26 4  5  o 8.56164  0.0698383 73.31        1.19586  72.5885      1.64364  74.1215      1.74315  8.51894  0.0964695 8.60834  0.101248  
1 1 1 26 4  6  o 1.95759  0.0848941 3.83277      0.332375 4.51516      0.475245 3.17942      0.46502  2.12459  0.111844  1.78275  0.130423  
1 1 1 26 4  7  o 6.72371  0.0662969 45.2123      0.891522 46.5315      1.22696  43.7368      1.29761  6.82083  0.089942  6.61272  0.0981148 
1 1 1 26 4  8  o 5.02025  0.0600075 25.2045      0.602505 26.1305      0.877882 24.38        0.82841  5.11145  0.085874  4.93729  0.0838932 
1 1 1 26 4  9  o 17.9212  0.127131  321.256      4.55669  323.933      6.35896  318.431      6.53283  17.9934  0.176702  17.8396  0.183099  
1 1 1 26 4  10 o 15.5798  0.107246  242.771      3.34173  244.298      4.75722  241.283      4.69523  15.6273  0.152209  15.5306  0.151161  
1 1 1 26 4  11 o 6.91846  0.0625862 47.8679      0.866    48.2354      1.21973  47.4944      1.22975  6.94477  0.0878168 6.8912   0.0892258 
1 1 1 26 4  12 o 25.2386  0.176944  637.281      8.93162  632.185      12.5367  642.533      12.7279  25.1314  0.249423  25.3361  0.251181  
1 1 1 26 4  13 o 6.74664  0.0654299 45.52        0.882864 45.9054      1.25519  45.1427      1.24203  6.7749   0.0926353 6.71839  0.092435  
1 1 1 26 4  14 o 15.9572  0.112332  254.687      3.58502  255.053      5.13891  254.341      5.00375  15.9668  0.160925  15.9447  0.156909  
1 1 1 26 4  15 f 8.25536  0.0885697 68.1612      1.46235  61.2403      2.07969  74.9296      2.05664  7.82427  0.1329    8.655    0.118812  
1 1 1 26 4  16 o 2.83402  0.113785  8.03386      0.64494  8.2138       0.91521  7.85635      0.908987 2.86521  0.159711  2.80214  0.162195  
1 1 1 26 4  17 o 14.308   0.108283  204.771      3.09863  203.082      4.33939  206.528      4.42616  14.247   0.152291  14.3673  0.154036  
1 1 1 26 4  18 o 29.546   0.2144    873.961      12.6693  866.884      17.9964  880.914      17.8389  29.4085  0.305973  29.6466  0.300858  
1 1 1 26 4  19 o 3.46876  0.118303  12.037       0.820728 12.989       1.15355  11.0611      1.16795  3.60271  0.160095  3.32437  0.175665  
1 1 1 26 4  20 o 4.66286  0.104834  21.7502      0.977656 20.8553      1.36888  22.6819      1.39677  4.56507  0.149929  4.76086  0.146694  
1 1 1 26 4  21 o 15.1565  0.126613  229.877      3.83803  230.531      5.20674  229.099      5.67962  15.1736  0.171572  15.1245  0.187762  
1 1 1 26 4  22 o 2.45862  0.165642  6.05342      0.814501 6.56509      1.14071  5.52121      1.16338  2.55896  0.222886  2.346    0.247949  
1 1 1 26 4  23 o 3.17649  0.131203  10.1008      0.833532 10.7374      1.17566  9.45745      1.18195  3.2735   0.179573  3.07175  0.19239   
1 1 1 26 4  24 o 8.28452  0.087379  68.6731      1.44779  69.1694      2.05031  68.1795      2.04466  8.31196  0.123335  8.25223  0.123885  
1 1 1 26 4  25 o 2.12677  0.196476  4.54078      0.83572  4.21674      1.16087  4.88939      1.20408  2.04524  0.283799  2.20297  0.273286  
1 1 1 26 4  26 o 5.9253   0.0965617 35.1475      1.14431  34.1311      1.57321  36.2895      1.66751  5.83595  0.134786  6.01727  0.138561  
1 1 1 26 4  27 o 4.26218  0.11691   18.2015      0.99658  18.2301      1.4097   18.1728      1.40906  4.26136  0.165405  4.25464  0.165591  
1 1 1 26 4  28 o 0.993894 0.344731  0.911457     0.838281 0.142839     1.24715  1.5449       1.13219  0.932356 0.392488  1.24071  0.400972  
1 1 1 26 4  29 o 3.79844  0.123713  14.4725      0.939832 14.1236      1.29335  14.8627      1.36804  3.747    0.172584  3.84307  0.177989  
1 1 1 26 4  30 o 3.893    0.119021  15.2055      0.926695 14.7679      1.31018  15.6435      1.31091  3.82989  0.171046  3.94253  0.166253  
1 1 1 26 4  31 o 1.16413  0.354234  1.41636      0.898326 0.796736     1.28853  2.00234      1.25306  1.06916  0.417219  1.37371  0.418441  
1 1 1 26 4  32 o 2.30985  0.192051  5.40015      0.887216 4.08527      1.25092  6.73108      1.25854  1.98868  0.314511  2.56886  0.24496   
1 1 1 26 4  33 o 3.03554  0.172936  9.31303      1.04991  9.49343      1.50195  9.14063      1.46821  3.04788  0.246392  2.99095  0.245441  
1 1 1 26 4  34 o 3.61122  0.141921  13.1469      1.02502  12.2772      1.36976  14.2537      1.54524  3.47645  0.197006  3.74298  0.206418  
1 1 1 26 4  35 o 2.61885  0.184372  6.97742      0.965685 6.86233      1.31289  7.11307      1.42541  2.57719  0.254713  2.61787  0.272246  
1 1 1 26 4  36 o 1.79417  0.260452  3.3493       0.934591 3.45973      1.28558  3.22552      1.36108  1.75822  0.3765    1.68337  0.407956  
1 1 1 26 4  37 o 1.29005  0.367332  1.8782       0.993542 1.6488       1.36138  2.13961      1.45327  1.23939  0.438387  1.36869  0.45448   
1 1 1 26 4  38 o 2.97602  0.193161  9.11086      1.1497   9.05286      1.60037  9.17272      1.65274  2.92569  0.273502  2.94053  0.281027  
1 1 1 26 4  39 o 0.88794  0.363846  0.496999     1.03134  2.13386      1.45864  -1.1394      1.45844  1.33733  0.455319  0.773656 0.363757  
1 1 1 26 4  40 o 1.81591  0.29334   3.64239      1.06536  4.92562      1.4871   2.28943      1.52698  2.03025  0.380299  1.33627  0.465095  
1 1 1 26 4  41 o 0.827269 0.352764  0.35129      1.02958  0.758659     1.46535  -0.0458923   1.44691  0.991661 0.421794  0.867181 0.391814  
1 1 1 26 4  42 o 1.10204  0.382552  1.57797      1.03249  2.88143      1.45078  0.240243     1.46972  1.40391  0.453913  0.881756 0.396832  
1 1 1 26 4  43 o 0.693421 0.323501  -0.332215    1.09954  -0.187154    1.54668  -0.480432    1.56341  0.808166 0.378851  0.782412 0.370967  
1 1 1 26 4  44 o 0.907914 0.382271  1.08675      1.18344  0.0458431    1.69513  2.07647      1.65293  0.822221 0.388213  1.07409  0.451986  
1 1 1 26 4  45 o 1.6886   0.395939  4.72253      1.31538  5.05807      1.80693  4.34425      1.91854  1.42688  0.505019  1.23581  0.499844  
1 1 1 26 5  0  o 22.4796  0.226209  505.796      10.1679  505.796      10.1679  505.796      10.1679  22.4847  0.1599    ?        ?         
1 1 1 26 5  1  o 16.9972  0.119281  289.003      4.05487  290.766      5.76961  287.281      5.69993  17.0459  0.169237  16.9436  0.168203  
1 1 1 26 5  2  o 21.2881  0.145101  453.41       6.17783  457.322      8.81242  449.629      8.66304  21.3741  0.206147  21.1938  0.204377  
1 1 1 26 5  3  o 5.7601   0.0533441 33.1809      0.614534 33.3419      0.884548 33.0307      0.8544   5.77384  0.0765996 5.74685  0.0743363 
1 1 1 26 5  4  o 12.6883  0.093416  161.025      2.37058  161.061      3.35255  160.99       3.35246  12.6883  0.132111  12.6856  0.132137  
1 1 1 26 5  5  o 31.406   0.220104  987.417      13.8252  983.408      19.2436  991.694      19.8753  31.3254  0.307157  31.4551  0.315931  
1 1 1 26 5  6  o 19.8249  0.138886  393.183      5.5068   391.915      7.59403  394.589      7.99717  19.7892  0.191873  19.8558  0.201381  
1 1 1 26 5  7  o 4.23343  0.0603296 17.9231      0.510802 18.5029      0.753071 17.4291      0.695166 4.30119  0.0875422 4.17454  0.0832626 
1 1 1 26 5  8  o 12.5385  0.0889051 157.234      2.22947  155.113      3.15392  159.353      3.15196  12.4527  0.126636  12.6218  0.124862  
1 1 1 26 5  9  o 9.23619  0.077065  85.3151      1.42357  84.6406      2.05571  85.9365      1.97329  9.19912  0.111734  9.26936  0.106442  
1 1 1 26 5  10 o 11.9947  0.0876457 143.89       2.10257  145.199      2.93545  142.51       3.01304  12.0485  0.121818  11.9364  0.126213  
1 1 1 26 5  11 o 6.313    0.0644718 39.8564      0.814021 40.6058      1.15384  39.1138      1.14858  6.37188  0.0905415 6.2537   0.0918319 
1 1 1 26 5  12 o 17.8258  0.12306   317.83       4.38726  313.411      6.20012  322.261      6.20894  17.6993  0.175152  17.9475  0.172975  
1 1 1 26 5  13 o 11.2396  0.0849262 126.342      1.90907  125.86       2.69121  126.83       2.70853  11.2174  0.119957  11.2606  0.120266  
1 1 1 26 5  14 o 23.6451  0.166334  559.364      7.86595  555.8        11.3279  562.682      10.931   23.5632  0.240373  23.7096  0.230518  
1 1 1 26 5  15 o 11.27    0.0894563 127.034      2.01635  127.489      2.84852  126.577      2.85459  11.2893  0.126161  11.2488  0.126884  
1 1 1 26 5  16 o 9.03318  0.0807069 81.6096      1.45808  79.5219      2.01934  83.8837      2.10756  8.91628  0.113239  9.15751  0.115073  
1 1 1 26 5  17 o 3.31199  0.109347  10.9723      0.724314 11.4942      0.989667 10.3703      1.06292  3.38948  0.145991  3.21928  0.165087  
1 1 1 26 5  18 o 1.72881  0.214906  2.99235      0.743066 3.49132      1.07378  2.53384      1.02934  1.8665   0.287645  1.55895  0.33958   
1 1 1 26 5  19 o 5.70103  0.0902014 32.5095      1.02848  31.9793      1.45165  33.0439      1.45735  5.65365  0.128382  5.74701  0.126792  
1 1 1 26 5  20 o 13.9273  0.114676  194.059      3.19425  195.493      4.5285   192.638      4.50627  13.9754  0.162017  13.873   0.162412  
1 1 1 26 5  21 o 2.84902  0.153551  8.12556      0.874943 7.5789       1.1612   8.84352      1.33077  2.75019  0.211113  2.97042  0.224004  
1 1 1 26 5  22 o 1.8116   0.220409  3.29057      0.798586 3.73297      1.1116   2.8187       1.14802  1.92777  0.288313  1.64118  0.359595  
1 1 1 26 5  23 o 6.01547  0.0882921 36.2041      1.06224  36.3562      1.48472  36.0446      1.52037  6.02662  0.12318   6.00057  0.126686  
1 1 1 26 5  24 o 5.84695  0.0920991 34.21        1.077    34.4552      1.51004  33.9562      1.53651  5.86592  0.128713  5.8231   0.131933  
1 1 1 26 5  25 o 5.79151  0.0960513 33.574       1.11256  34.1737      1.49852  32.8374      1.66077  5.84083  0.128279  5.72413  0.145067  
1 1 1 26 5  26 o 3.60239  0.126373  13.0026      0.910489 12.4377      1.25173  13.6372      1.3268   3.51988  0.177809  3.68553  0.180001  
1 1 1 26 5  27 o 9.80254  0.0970427 96.2222      1.90253  97.015       2.78231  95.5259      2.60737  9.83513  0.141448  9.76091  0.133562  
1 1 1 26 5  28 o 4.76356  0.107719  22.7378      1.02625  22.0951      1.48228  23.3295      1.42225  4.69019  0.15802   4.82079  0.147512  
1 1 1 26 5  29 o 2.567    0.166786  6.62706      0.85628  6.49434      1.22655  6.75324      1.19595  2.53332  0.242085  2.58464  0.231357  
1 1 1 26 5  30 o 2.2132   0.19601   4.94373      0.867622 5.51688      1.25485  4.41878      1.20093  2.32849  0.269456  2.08129  0.288507  
1 1 1 26 5  31 o 3.39717  0.142327  11.6087      0.96702  12.9343      1.35987  10.2527      1.37541  3.57781  0.190042  3.18058  0.216219  
1 1 1 26 5  32 o 2.07916  0.215192  4.39106      0.894837 4.30862      1.23896  4.48097      1.29381  2.04368  0.303118  2.08256  0.31063   
1 1 1 26 5  33 o 4.8383   0.123376  23.5405      1.19386  22.3595      1.7008   24.6876      1.67621  4.7001   0.180932  4.94234  0.169577  
1 1 1 26 5  34 o 1.29348  0.351066  1.82053      0.931326 3.09045      1.25379  0.257317     1.39106  1.67588  0.382373  0.978319 0.413303  
1 1 1 26 5  35 o 1.05031  0.360804  1.1103       0.916381 1.23041      1.23443  0.962848     1.36771  1.13695  0.415902  1.10016  0.429739  
1 1 1 26 5  36 o 0.853325 0.346407  0.406865     0.926109 0.907169     1.26138  -0.178217    1.36407  1.05754  0.412777  0.885261 0.391314  
1 1 1 26 5  37 o 2.1701   0.236031  4.90029      1.02442  5.1839       1.4147   4.58764      1.48538  2.19565  0.32216   2.01307  0.382746  
1 1 1 26 5  38 o 0.809957 0.349049  0.0903714    1.02714  0.826566     1.39329  -0.786       1.52016  1.05211  0.425789  0.840351 0.387526  
1 1 1 26 5  39 o 1.21927  0.385974  1.73154      1.05306  2.59367      1.51441  0.924398     1.46532  1.4459   0.463388  1.06708  0.434877  
1 1 1 26 5  40 o 1.72898  0.3118    3.41514      1.0388   2.17288      1.46334  4.67711      1.47489  1.30732  0.455273  1.96828  0.388496  
1 1 1 26 5  41 o 0.657919 0.308349  -0.67035     1.02247  0.15807      1.43436  -1.5262      1.45791  0.888806 0.396245  0.708283 0.341969  
1 1 1 26 5  42 o 1.02167  0.378703  1.29716      1.02786  -0.000654261 1.44222  2.63679      1.46527  0.843715 0.384518  1.3362   0.456352  
1 1 1 26 5  43 o 0.999347 0.387155  1.38434      1.10536  -0.565317    1.53791  3.46781      1.58981  0.764287 0.364618  1.42177  0.47535   
1 1 1 26 5  44 o 0.972277 0.39334   1.45879      1.18843  1.9593       1.67455  0.950867     1.68691  1.03817  0.446515  0.905066 0.413573  
1 1 1 26 5  45 o 0.561934 0.279316  -1.56489     1.21911  -2.2258      1.6641   -0.799311    1.79104  0.613201 0.308439  0.708742 0.349422  
1 1 1 26 6  0  o 3.49777  0.0818255 12.2554      0.571706 12.2554      0.571706 12.2554      0.571706 3.49927  0.0577986 ?        ?         
1 1 1 26 6  1  o 4.6711   0.051112  21.8205      0.477498 21.0702      0.668813 22.6005      0.681947 4.58993  0.0728565 4.75371  0.0717278 
1 1 1 26 6  2  o 2.78236  0.062718  7.74224      0.349008 7.96311      0.512166 7.55077      0.476866 2.82162  0.0907573 2.74762  0.086778  
1 1 1 26 6  3  o 16.8488  0.121365  283.977      4.08968  284.565      5.79398  283.393      5.77345  16.8632  0.171793  16.8285  0.171538  
1 1 1 26 6  4  o 6.68561  0.0625843 44.7013      0.836828 44.5489      1.18589  44.8525      1.18103  6.6739   0.0888453 6.69661  0.0881814 
1 1 1 26 6  5  o 25.9593  0.178305  674.323      9.25735  678.412      13.0194  670.141      13.1656  26.0294  0.250091  25.8696  0.254461  
1 1 1 26 6  6  o 18.2826  0.127324  334.358      4.65565  334.888      6.52434  333.808      6.6455   18.2943  0.178316  18.2646  0.181923  
1 1 1 26 6  7  o 15.8098  0.109988  250.001      3.47776  249.222      4.91012  250.785      4.92651  15.7834  0.155547  15.8328  0.155579  
1 1 1 26 6  8  f 8.65455  0.0685087 74.9069      1.18582  76.512       1.72979  73.4838      1.62878  8.74641  0.0988859 8.57163  0.0950099 
1 1 1 26 6  9  o 7.4279   0.0642858 55.177       0.955016 54.7644      1.30934  55.6461      1.39602  7.39986  0.0884706 7.45914  0.0935776 
1 1 1 26 6  10 o 30.8188  0.212039  950.427      13.0696  949.014      18.2657  951.909      18.7085  30.7858  0.296659  30.8317  0.303397  
1 1 1 26 6  11 o 14.2384  0.10265   202.764      2.92315  204.223      4.1209   201.286      4.14714  14.2884  0.144204  14.1852  0.146178  
1 1 1 26 6  12 f 7.48612  0.0712363 56.0463      1.06657  57.2308      1.56325  55.0147      1.45887  7.56449  0.103328  7.41664  0.0983509 
1 1 1 26 6  13 o 8.52223  0.072593  72.6347      1.23731  73.2311      1.74853  72.0365      1.75111  8.55677  0.102172  8.48668  0.103168  
1 1 1 26 6  14 o 5.79351  0.0703655 33.5678      0.815326 34.4916      1.18182  32.7288      1.12628  5.87239  0.100625  5.72039  0.0984441 
1 1 1 26 6  15 o 8.54631  0.0745951 73.0478      1.27503  72.1801      1.78367  73.9543      1.8233   8.49492  0.104985  8.59867  0.106022  
1 1 1 26 6  16 o 7.73366  0.0784978 59.8175      1.21415  59.4383      1.67549  60.2367      1.7619   7.70863  0.108676  7.76014  0.113522  
1 1 1 26 6  17 o 5.214    0.0824875 27.1902      0.86018  26.24        1.18523  28.2477      1.25034  5.12168  0.115707  5.31398  0.117646  
1 1 1 26 6  18 o 10.0445  0.0917013 100.915      1.84219  101.418      2.67722  100.463      2.53879  10.0682  0.132954  10.0209  0.126674  
1 1 1 26 6  19 o 4.35319  0.104642  18.9566      0.911055 18.7437      1.29869  19.163       1.2784   4.3279   0.150037  4.37612  0.146065  
1 1 1 26 6  20 o 14.6576  0.117253  214.958      3.43729  219.289      4.85926  210.62       4.86288  14.8008  0.164155  14.505   0.167627  
1 1 1 26 6  21 o 11.3291  0.0981668 128.406      2.22427  127.856      3.06645  129.017      3.2312   11.3024  0.135655  11.3531  0.142305  
1 1 1 26 6  22 o 5.38613  0.09222   29.0244      0.993419 29.1508      1.39264  28.8935      1.41751  5.3966   0.129029  5.37262  0.131919  
1 1 1 26 6  23 o 4.02022  0.109023  16.1752      0.876593 15.8806      1.20204  16.5097      1.28111  3.98194  0.150937  4.05975  0.157782  
1 1 1 26 6  24 o 3.46665  0.125145  12.0338      0.867668 12.6952      1.21124  11.3365      1.24353  3.55861  0.170184  3.36204  0.184937  
1 1 1 26 6  25 o 6.4937   0.0894072 42.2045      1.16117  42.5659      1.66163  41.8596      1.62332  6.51857  0.127454  6.46443  0.125558  
1 1 1 26 6  26 o 3.84996  0.121384  14.8502      0.934644 15.0939      1.32503  14.6089      1.31857  3.87782  0.170847  3.81484  0.172821  
1 1 1 26 6  27 o 1.86727  0.219638  3.51205      0.820247 3.76667      1.16688  3.26334      1.15325  1.92737  0.302713  1.76288  0.339195  
1 1 1 26 6  28 o 3.98351  0.118453  15.9089      0.943715 15.6306      1.3495   16.1754      1.32021  3.94301  0.171126  4.01194  0.164535  
1 1 1 26 6  29 o 2.02854  0.207422  4.15207      0.841528 3.54126      1.21657  4.71248      1.16529  1.83126  0.344813  2.1545   0.270431  
1 1 1 26 6  30 o 2.36028  0.185231  5.61904      0.874395 5.19318      1.23801  6.04293      1.23516  2.25766  0.274179  2.4387   0.253242  
1 1 1 26 6  31 o 1.43581  0.311882  2.19988      0.870529 2.34176      1.19881  2.04161      1.26618  1.47075  0.397912  1.38416  0.420426  
1 1 1 26 6  32 o 5.94346  0.106218  35.4654      1.2626   33.641       1.71363  37.6322      1.86745  5.77753  0.148301  6.10918  0.152839  
1 1 1 26 6  33 o 4.24126  0.12611   18.0973      1.06973  17.3519      1.51615  18.8362      1.50953  4.1391   0.18315   4.3149   0.174921  
1 1 1 26 6  34 o 1.93783  0.241854  3.85545      0.937344 3.45632      1.2492   4.36974      1.418    1.77794  0.363857  2.00282  0.367738  
1 1 1 26 6  35 o 1.05119  0.361029  1.11675      0.917482 -0.35856     1.25316  2.82112      1.34694  0.825096 0.369037  1.57611  0.419702  
1 1 1 26 6  36 o 1.01985  0.361313  1.02565      0.925101 1.38637      1.29029  0.644061     1.32707  1.17493  0.425655  1.01618  0.413947  
1 1 1 26 6  37 o 1.86988  0.264719  3.67913      0.989985 4.2725       1.37858  3.0473       1.42256  1.94781  0.367318  1.60742  0.432816  
1 1 1 26 6  38 o 0.958318 0.368234  0.803706     0.995589 2.22519      1.37429  -0.766202    1.44426  1.37403  0.441539  0.817241 0.377195  
1 1 1 26 6  39 o 1.45217  0.366232  2.482        1.06419  3.82442      1.59461  1.40399      1.42895  1.74957  0.452458  1.15363  0.441771  
1 1 1 26 6  40 f 1.18421  0.378975  1.68781      1.01319  1.45243      1.43566  1.92137      1.43008  1.13935  0.441259  1.24514  0.448414  
1 1 1 26 6  41 o 0.673896 0.312235  -0.487968    1.00204  -0.460571    1.37465  -0.519031    1.46374  0.790246 0.365977  0.806254 0.375022  
1 1 1 26 6  42 o 0.960381 0.3731    1.07061      1.02805  0.637647     1.44908  1.50936      1.45872  0.931232 0.407971  1.08225  0.436625  
1 1 1 26 6  43 o 1.45514  0.384193  3.02583      1.13473  2.25737      1.56436  3.87911      1.64844  1.15067  0.456676  1.48808  0.484036  
1 1 1 26 6  44 o 0.772841 0.350774  0.431434     1.17346  0.791255     1.6599   0.0719378    1.65915  0.86662  0.401658  0.795366 0.379272  
1 1 1 26 6  45 o 0.771565 0.352804  0.597654     1.22988  1.19159      1.69018  -0.0707328   1.793    0.861936 0.401719  0.759809 0.369765  
1 1 1 26 7  0  o 9.10564  0.0939776 82.9476      1.71104  82.9476      1.71104  82.9476      1.71104  9.10659  0.0664373 ?        ?         
1 1 1 26 7  1  o 12.6128  0.088808  159.112      2.24024  163.354      3.31593  155.549      3.03856  12.7785  0.129746  12.4698  0.121837  
1 1 1 26 7  2  o 15.9424  0.115161  254.235      3.67189  253.653      5.18584  254.821      5.19985  15.9217  0.162854  15.9584  0.162919  
1 1 1 26 7  3  o 6.05383  0.0558346 36.6512      0.676025 38.4962      1.00828  35.1445      0.911166 6.20409  0.0812594 5.9279   0.076854  
1 1 1 26 7  4  o 11.8151  0.0834385 139.616      1.97167  138.267      2.79248  140.957      2.78426  11.757   0.118758  11.8709  0.117273  
1 1 1 26 7  5  o 13.6211  0.0977029 185.569      2.66165  189.238      3.82745  182.132      3.70387  13.7538  0.139141  13.4932  0.137249  
1 1 1 26 7  6  o 7.20168  0.0659511 51.8682      0.949918 54.8889      1.39569  49.2614      1.29656  7.40812  0.0941999 7.01811  0.0923723 
1 1 1 26 7  7  o 11.9091  0.0865322 141.843      2.06103  143.852      2.92111  139.852      2.90841  11.9923  0.121791  11.8244  0.122984  
1 1 1 26 7  8  o 11.6668  0.0868199 136.13       2.02582  136.348      2.93802  135.933      2.79707  11.6754  0.125821  11.6577  0.119966  
1 1 1 26 7  9  o 7.1401   0.0715023 50.9849      1.02107  51.078       1.45831  50.8954      1.43012  7.14633  0.102032  7.13356  0.100239  
1 1 1 26 7  10 o 8.90916  0.0725352 79.3794      1.29246  78.9429      1.78937  79.8555      1.86883  8.8843   0.100704  8.93545  0.104574  
1 1 1 26 7  11 o 18.868   0.128248  356.088      4.83955  359.849      6.91978  352.488      6.77095  18.9649  0.182437  18.77    0.180366  
1 1 1 26 7  12 o 13.7131  0.101435  188.079      2.78197  189.856      3.9654   186.357      3.90392  13.7766  0.143918  13.649   0.143011  
1 1 1 26 7  13 o 22.157   0.154367  491.135      6.8406   495.685      9.6609   486.559      9.68729  22.2547  0.217053  22.0487  0.21968   
1 1 1 26 7  14 o 19.1246  0.135044  365.881      5.16531  368.13       7.27335  363.594      7.33676  19.1798  0.189609  19.0611  0.192454  
1 1 1 26 7  15 o 4.83234  0.075142  23.3542      0.726222 22.5279      0.976841 24.3753      1.08585  4.74583  0.102916  4.9365   0.109982  
1 1 1 26 7  16 o 13.3462  0.10714   178.166      2.85982  173.598      3.94499  183.224      4.15173  13.1724  0.149745  13.5325  0.153399  
1 1 1 26 7  17 f 15.008   0.116491  225.316      3.49659  230.432      4.96768  220.292      4.92249  15.1749  0.16368   14.8372  0.165884  
1 1 1 26 7  18 o 8.32056  0.0848639 69.2458      1.41223  70.0523      2.01181  68.4623      1.98289  8.36802  0.120208  8.27252  0.119848  
1 1 1 26 7  19 o 7.8257   0.0893506 61.2572      1.39846  62.4474      1.9756   60.062       1.97985  7.90038  0.125032  7.74793  0.127766  
1 1 1 26 7  20 o 9.39613  0.0941189 88.319       1.76871  88.5726      2.48444  88.0584      2.51857  9.40793  0.132039  9.38047  0.134246  
1 1 1 26 7  21 f 11.3111  0.101731  128.008      2.30139  131.723      3.19488  124          3.31791  11.4715  0.139252  11.1294  0.149061  
1 1 1 26 7  22 o 12.2883  0.102162  151.096      2.51079  151.418      3.59817  150.791      3.50525  12.2974  0.146298  12.2723  0.142812  
1 1 1 26 7  23 o 2.8968   0.138353  8.40293      0.801559 7.3447       1.11608  9.53022      1.15192  2.70595  0.206228  3.08321  0.186805  
1 1 1 26 7  24 o 5.64637  0.0937201 31.9072      1.05836  32.0746      1.50936  31.7453      1.48444  5.65882  0.133363  5.6298   0.131837  
1 1 1 26 7  25 o 2.63872  0.158921  6.98241      0.838694 6.79096      1.17801  7.1792       1.19434  2.59852  0.22667   2.67198  0.223494  
1 1 1 26 7  26 o 3.77102  0.119939  14.2483      0.904588 13.8425      1.27956  14.6537      1.279    3.71311  0.172304  3.82079  0.167373  
1 1 1 26 7  27 o 3.69183  0.122354  13.6617      0.903421 13.7313      1.34455  13.6044      1.21981  3.69588  0.181898  3.6804   0.165716  
1 1 1 26 7  28 o 4.29345  0.113541  18.4786      0.974961 19.0426      1.35797  17.8787      1.40062  4.35377  0.155954  4.21734  0.166055  
1 1 1 26 7  29 o 1.44848  0.288766  2.20746      0.806902 2.20642      1.13745  2.20851      1.14485  1.43771  0.386977  1.43845  0.388709  
1 1 1 26 7  30 o 0.863279 0.338778  0.474633     0.852021 -0.139156    1.17165  1.16351      1.24124  0.848486 0.369306  1.14724  0.417304  
1 1 1 26 7  31 o 5.43854  0.103502  29.6748      1.1258   30.1382      1.58022  29.1972      1.60429  5.47234  0.144383  5.38514  0.148955  
1 1 1 26 7  32 o 2.68844  0.177411  7.30982      0.953916 6.7756       1.33919  7.86007      1.35912  2.57155  0.260385  2.77353  0.245016  
1 1 1 26 7  33 o 2.19725  0.205299  4.90819      0.902187 5.88531      1.26738  3.9044       1.28457  2.3931   0.264798  1.90391  0.350478  
1 1 1 26 7  34 o 1.77651  0.256927  3.25866      0.912868 3.43952      1.20981  3.01953      1.39107  1.77464  0.353393  1.63728  0.422204  
1 1 1 26 7  35 o 3.90859  0.137439  15.4411      1.07438  15.5238      1.48178  15.3493      1.56006  3.90005  0.189969  3.87323  0.20139   
1 1 1 26 7  36 o 0.632328 0.296772  -0.890113    0.959338 -1.10641     1.29732  -0.629117    1.42508  0.738208 0.346221  0.839871 0.382621  
1 1 1 26 7  37 o 3.64152  0.151292  13.4885      1.10186  12.5703      1.50606  14.5462      1.61631  3.48497  0.216079  3.74919  0.215555  
1 1 1 26 7  38 o 1.56104  0.337865  2.76134      1.02504  2.69199      1.42437  2.83583      1.47627  1.49311  0.4444    1.52798  0.451921  
1 1 1 26 7  39 o 0.848963 0.357822  0.342372     1.03868  -0.932621    1.548    1.38645      1.40083  0.813746 0.381027  1.14145  0.437316  
1 1 1 26 7  40 o 1.2985   0.367577  2.04581      0.9977   1.98424      1.38429  2.11235      1.43924  1.2562   0.442289  1.28673  0.451182  
1 1 1 26 7  41 o 0.857028 0.359328  0.528672     1.03836  -0.0326751   1.41268  1.18834      1.53141  0.849135 0.38522   1.05777  0.439485  
1 1 1 26 7  42 o 0.770305 0.338231  0.215473     1.00062  1.04553      1.43655  -0.56679     1.39457  0.992069 0.419603  0.761398 0.357433  
1 1 1 26 7  43 o 0.75919  0.343518  0.197548     1.11618  0.839637     1.60586  -0.402614    1.55254  0.915694 0.413305  0.772335 0.367837  
1 1 1 26 7  44 o 0.625979 0.302857  -0.720518    1.1654   -0.0119429   1.68986  -1.36317     1.60933  0.776506 0.373244  0.668203 0.329863  
1 1 1 26 7  45 o 0.693867 0.329552  -0.000145914 1.23856  1.12622      1.69203  -1.30033     1.8179   0.843513 0.395571  0.679954 0.338407  
1 1 1 26 8  0  o 7.58875  0.10026   57.6252      1.5211   57.6252      1.5211   57.6252      1.5211   7.58993  0.0708698 ?        ?         
1 1 1 26 8  1  o 11.3855  0.0851366 129.649      1.93865  127.726      2.70788  131.672      2.77675  11.2999  0.119819  11.4731  0.121011  
1 1 1 26 8  2  o 11.533   0.0856482 133.029      1.97555  131.541      2.67678  134.809      2.92777  11.4675  0.116711  11.6088  0.126101  
1 1 1 26 8  3  o 9.9806   0.0760602 99.6235      1.51825  99.9519      2.17907  99.3136      2.11656  9.99643  0.108993  9.96452  0.106205  
1 1 1 26 8  4  o 8.97294  0.0687388 80.5207      1.23358  81.163       1.74243  79.8753      1.74667  9.00826  0.0967129 8.9365   0.0977265 
1 1 1 26 8  5  f 18.3035  0.131892  335.12       4.82819  338.048      6.88004  332.279      6.7773   18.3804  0.187157  18.223   0.185955  
1 1 1 26 8  6  f 1.54382  0.105269  2.38382      0.325035 1.97515      0.458917 2.79518      0.460424 1.40509  0.163305  1.67162  0.137718  
1 1 1 26 8  7  o 19.2468  0.135327  370.545      5.20925  373.381      7.41897  367.786      7.31609  19.3175  0.192027  19.1723  0.190798  
1 1 1 26 8  8  f 24.737   0.176729  612.2        8.7435   614.295      12.7177  610.323      12.0404  24.7728  0.256687  24.6938  0.243794  
1 1 1 26 8  9  o 11.4213  0.0847928 130.461      1.9369   131.345      2.73519  129.572      2.7432   11.4593  0.119343  11.3817  0.120509  
1 1 1 26 8  10 o 11.102   0.0817507 123.266      1.81518  122.227      2.58971  124.269      2.54499  11.0545  0.117134  11.1465  0.114161  
1 1 1 26 8  11 o 10.1807  0.0799607 103.656      1.62811  103.976      2.25858  103.309      2.34907  10.1959  0.110759  10.1631  0.115569  
1 1 1 26 8  12 o 14.0413  0.102043  197.193      2.86563  198.888      4.039    195.475      4.06636  14.1004  0.143223  13.9788  0.145448  
1 1 1 26 8  13 o 3.28605  0.0824642 10.7995      0.541963 10.7011      0.768118 10.8971      0.764797 3.27083  0.117419  3.30066  0.115855  
1 1 1 26 8  14 o 7.08124  0.0707418 50.1491      1.00188  48.8323      1.415    51.4728      1.41875  6.98728  0.101255  7.17374  0.098885  
1 1 1 26 8  15 o 9.23536  0.0788164 85.3032      1.4558   86.7145      2.10558  84.0108      2.01501  9.31078  0.113072  9.16455  0.109935  
1 1 1 26 8  16 o 8.35932  0.0828172 69.8893      1.38459  69.4374      1.93902  70.3595      1.97777  8.3316   0.116366  8.3867   0.117911  
1 1 1 26 8  17 o 19.8647  0.144324  394.821      5.7339   399.7        8.0991   389.918      8.11885  19.9818  0.202662  19.7354  0.205692  
1 1 1 26 8  18 o 15.4063  0.122887  237.459      3.78648  241.337      5.63659  234.27       5.1116   15.5275  0.181504  15.2996  0.16705   
1 1 1 26 8  19 o 13.3788  0.116839  179.075      3.12632  181.824      4.52314  176.561      4.32601  13.4776  0.167802  13.2815  0.162858  
1 1 1 26 8  20 o 2.68205  0.155848  7.20107      0.835981 6.88025      1.12013  7.60445      1.25601  2.62035  0.213737  2.75442  0.227999  
1 1 1 26 8  21 o 7.89234  0.0881693 62.3146      1.39172  61.068       1.88023  63.8251      2.06978  7.81164  0.120348  7.98555  0.129596  
1 1 1 26 8  22 o 3.03013  0.138935  9.1927       0.841979 9.88748      1.2319   8.5836       1.15345  3.14064  0.196122  2.92621  0.197089  
1 1 1 26 8  23 o 3.0042   0.143159  9.03922      0.860154 7.12018      1.20552  11.0294      1.22767  2.66314  0.226334  3.3167   0.185073  
1 1 1 26 8  24 o 4.29686  0.103262  18.4826      0.887403 18.0769      1.2365   18.9135      1.27431  4.24725  0.145565  4.34435  0.146663  
1 1 1 26 8  25 o 6.34463  0.0925702 40.2941      1.17465  40.5132      1.61875  40.0504      1.70718  6.35903  0.12728   6.32187  0.135022  
1 1 1 26 8  26 o 8.67428  0.0920558 75.3324      1.59704  75.7379      2.34762  74.9831      2.17891  8.69164  0.13505   8.64966  0.125953  
1 1 1 26 8  27 o 5.09252  0.0982046 25.9749      1.00022  27.1448      1.44295  24.8928      1.38771  5.20178  0.138698  4.98127  0.139293  
1 1 1 26 8  28 o 5.76194  0.0981773 33.2629      1.13138  33.536       1.61972  33.0027      1.58101  5.77991  0.140117  5.73411  0.13786   
1 1 1 26 8  29 o 4.76238  0.103792  22.7351      0.988591 21.9303      1.37574  23.5943      1.42154  4.67169  0.147242  4.84577  0.146678  
1 1 1 26 8  30 o 3.73337  0.128965  14.0019      0.962947 14.8808      1.33114  13.037       1.39471  3.84186  0.173241  3.59225  0.194127  
1 1 1 26 8  31 o 2.3147   0.185843  5.41617      0.860341 5.65676      1.22701  5.1835       1.20666  2.35308  0.260723  2.25115  0.26801   
1 1 1 26 8  32 o 1.73131  0.266821  3.07412      0.923901 2.66223      1.31837  3.47161      1.29513  1.55581  0.41565   1.78814  0.374228  
1 1 1 26 8  33 o 3.83216  0.129361  14.7833      0.991466 15.9293      1.40767  13.6551      1.39669  3.96627  0.177455  3.66881  0.190346  
1 1 1 26 8  34 o 1.75102  0.256438  3.16705      0.898058 3.50033      1.18644  2.7199       1.37425  1.7937   0.342975  1.55285  0.428681  
1 1 1 26 8  35 o 0.763977 0.330828  -0.0184729   0.931201 -1.4059      1.26321  1.63283      1.37811  0.696274 0.331699  1.25128  0.441225  
1 1 1 26 8  36 o 0.71455  0.320413  -0.310333    0.950056 -1.11668     1.27154  0.708724     1.42945  0.726976 0.341279  1.05027  0.429021  
1 1 1 26 8  37 o 1.06411  0.373361  1.17534      0.985699 1.15028      1.35821  1.20323      1.43275  1.11584  0.429803  1.1397   0.440933  
1 1 1 26 8  38 o 2.7758   0.189038  7.94665      1.04946  9.10248      1.48551  6.795        1.48282  2.93581  0.252997  2.51262  0.295075  
1 1 1 26 8  39 o 1.78329  0.290856  3.48041      1.03736  3.98335      1.51044  3.03138      1.4272   1.79259  0.42684   1.54937  0.439968  
1 1 1 26 8  40 o 0.790951 0.337793  0.250678     0.946596 -0.164389    1.31299  0.69991      1.36596  0.826024 0.373228  0.976209 0.410844  
1 1 1 26 8  41 o 1.51322  0.349191  2.83483      1.03609  1.22802      1.40768  4.73431      1.53052  1.04565  0.426205  1.89619  0.414971  
1 1 1 26 8  42 o 0.839467 0.352805  0.58835      1.00498  1.95278      1.44121  -0.703016    1.40209  1.15858  0.443664  0.744671 0.352238  
1 1 1 26 8  43 o 0.968038 0.386309  1.32164      1.12506  1.70728      1.62684  0.968144     1.55756  1.0349   0.442434  0.92506  0.412646  
1 1 1 26 8  44 o 0.572313 0.281864  -1.28997     1.15134  -1.04911     1.65572  -1.51548     1.60208  0.690057 0.339881  0.65225  0.323655  
1 1 1 26 8  45 o 0.756483 0.348295  0.618582     1.22174  -0.176025    1.67235  1.52808      1.78917  0.72122  0.352113  0.867291 0.40673   
1 1 1 26 9  0  o 10.6983  0.117939  114.51       2.52279  114.51       2.52279  114.51       2.52279  10.6996  0.0833735 ?        ?         
1 1 1 26 9  1  o 2.85723  0.0652177 8.16443      0.372684 8.28201      0.530181 8.04959      0.523984 2.87762  0.0921216 2.83695  0.0923498 
1 1 1 26 9  2  o 1.4099   0.117017  1.98832      0.329965 1.88547      0.488491 2.07464      0.447484 1.37272  0.177928  1.44004  0.155372  
1 1 1 26 9  3  o 29.7028  0.206081  882.92       12.2424  888.691      17.0334  876.753      17.6076  29.7891  0.2859    29.5865  0.297561  
1 1 1 26 9  4  o 19.953   0.141386  398.256      5.64215  396.355      7.85061  400.288      8.11432  19.902   0.197232  20.0001  0.202857  
1 1 1 26 9  5  o 13.1926  0.0975758 174.073      2.57457  171.145      3.58397  177.195      3.70082  13.0802  0.137     13.3093  0.139031  
1 1 1 26 9  6  o 24.8877  0.179511  619.705      8.93522  628.568      12.9683  611.695      12.3286  25.0582  0.258764  24.7205  0.249359  
1 1 1 26 9  7  o 17.5859  0.127224  309.339      4.47472  308.357      6.46737  310.24       6.19765  17.5557  0.184196  17.6096  0.175974  
1 1 1 26 9  8  o 20.1681  0.141884  406.873      5.72308  402.607      8.20055  410.924      7.99084  20.0588  0.204413  20.2653  0.197155  
1 1 1 26 9  9  o 17.5536  0.121878  308.196      4.27878  304.511      5.99021  312.035      6.11392  17.4463  0.171675  17.6605  0.173096  
1 1 1 26 9  10 o 15.2925  0.105485  233.9        3.22627  232.988      4.5488   234.822      4.57661  15.2614  0.14903   15.3213  0.149355  
1 1 1 26 9  11 o 13.8973  0.0985505 193.163      2.73916  193.242      3.91866  193.088      3.83037  13.8989  0.14097   13.8935  0.137848  
1 1 1 26 9  12 o 8.7726   0.0731649 76.9657      1.28369  78.6686      1.83033  75.3171      1.80086  8.8687   0.10319   8.67772  0.103764  
1 1 1 26 9  13 o 3.52454  0.0809548 12.424       0.570658 12.0719      0.802641 12.784       0.811495 3.474    0.115521  3.57501  0.113495  
1 1 1 26 9  14 o 14.805   0.106739  219.24       3.16052  218.896      4.3684   219.618      4.5783   14.7917  0.147663  14.8158  0.154507  
1 1 1 26 9  15 o 14.3306  0.109685  205.421      3.14371  204.012      4.41641  206.869      4.47593  14.2795  0.154641  14.3791  0.15564   
1 1 1 26 9  16 o 9.16303  0.082529  83.9749      1.51243  83.3765      2.13934  84.5729      2.13847  9.12955  0.117165  9.19484  0.116286  
1 1 1 26 9  17 f 15.3057  0.12173   234.36       3.72632  238.396      5.25908  230.29       5.28062  15.4339  0.170374  15.169   0.174059  
1 1 1 26 9  18 o 18.2684  0.137876  333.931      5.03757  333.787      6.87364  334.098      7.40432  18.2598  0.188217  18.2668  0.202672  
1 1 1 26 9  19 o 13.2142  0.111708  174.697      2.95227  180.036      4.24973  169.717      4.10436  13.4114  0.158437  13.0215  0.1576    
1 1 1 26 9  20 o 7.12555  0.0853772 50.7907      1.21672  50.9908      1.69745  50.5792      1.74493  7.13841  0.118895  7.10939  0.12272   
1 1 1 26 9  21 o 1.26092  0.316398  1.66176      0.7973   2.976        1.12838  0.351395     1.12672  1.68895  0.345969  0.940656 0.382011  
1 1 1 26 9  22 o 2.38144  0.16455   5.68133      0.783729 5.95321      1.12096  5.42135      1.09618  2.43563  0.230117  2.32408  0.235831  
1 1 1 26 9  23 o 8.08116  0.088602  65.3467      1.43201  66.7986      2.04089  63.9387      2.00982  8.16783  0.124935  7.991    0.125755  
1 1 1 26 9  24 o 1.40419  0.279718  2.05647      0.757698 2.53861      1.07603  1.58228      1.06712  1.55286  0.35418   1.24953  0.387278  
1 1 1 26 9  25 o 5.87997  0.0963724 34.613       1.13333  34.1394      1.6066   35.0822      1.59897  5.83615  0.137642  5.91644  0.13513   
1 1 1 26 9  26 o 7.83122  0.0876455 61.3963      1.37274  59.6259      1.90769  63.2973      1.97685  7.71319  0.123664  7.947    0.124377  
1 1 1 26 9  27 o 3.34249  0.12727   11.2035      0.850796 11.9977      1.22844  10.4713      1.17947  3.45429  0.177814  3.22659  0.182773  
1 1 1 26 9  28 o 3.681    0.122546  13.5909      0.902187 15.1862      1.33917  12.2651      1.2208   3.88536  0.172336  3.49145  0.174827  
1 1 1 26 9  29 o 2.01998  0.201858  4.11921      0.8155   3.44683      1.16741  4.76001      1.13967  1.80581  0.335788  2.1643   0.263288  
1 1 1 26 9  30 o 2.75773  0.164751  7.66362      0.908679 5.84104      1.22123  9.92422      1.36009  2.39503  0.254951  3.12956  0.217297  
1 1 1 26 9  31 o 6.55544  0.0954782 43.1015      1.2518   44.4751      1.79606  41.8039      1.74565  6.64894  0.135063  6.44609  0.135404  
1 1 1 26 9  32 o 1.99693  0.241005  4.07053      0.962536 3.3081       1.38017  4.79249      1.34305  1.73617  0.404591  2.15165  0.312098  
1 1 1 26 9  33 o 1.8197   0.243242  3.38997      0.885253 4.8098       1.26409  2.02345      1.24013  2.15589  0.293171  1.36525  0.416358  
1 1 1 26 9  34 o 2.24964  0.209181  5.17299      0.941165 5.54098      1.24201  4.6767       1.44237  2.31212  0.268586  2.10086  0.343279  
1 1 1 26 9  35 o 2.57704  0.187572  6.77827      0.966763 6.59592      1.33829  6.97727      1.39809  2.51651  0.265902  2.58653  0.270265  
1 1 1 26 9  36 f 1.51182  0.327725  2.53256      0.96303  4.24904      1.30714  0.49475      1.42424  1.99014  0.328403  1.00789  0.42161   
1 1 1 26 9  37 o 1.1579   0.379093  1.47837      1.01113  2.54266      1.3634   0.177521     1.50733  1.4695   0.4342    0.968336 0.420135  
1 1 1 26 9  38 o 0.926203 0.364762  0.693307     0.990915 0.922045     1.40634  0.467777     1.39644  1.06459  0.429039  0.977861 0.413654  
1 1 1 26 9  39 o 0.867023 0.360616  0.459485     1.03279  1.20615      1.50223  -0.20977     1.42223  1.10704  0.444551  0.859204 0.38832   
1 1 1 26 9  40 o 0.530119 0.260235  -1.61902     0.943365 -2.54486     1.31573  -0.639549    1.3533   0.593578 0.294283  0.774099 0.36027   
1 1 1 26 9  41 o 1.00873  0.382188  1.2128       1.06015  -0.401577    1.45463  3.0418       1.5483   0.803889 0.373895  1.43465  0.469104  
1 1 1 26 9  42 o 0.768363 0.339569  0.226931     1.02644  0.704207     1.4506   -0.251667    1.45261  0.920648 0.405685  0.796858 0.371786  
1 1 1 26 9  43 o 0.735285 0.336636  0.0466142    1.12366  1.33749      1.60472  -1.19518     1.57391  0.976143 0.428472  0.706226 0.344215  
1 1 1 26 9  44 o 0.803584 0.356835  0.81555      1.15182  1.25209      1.64318  0.393845     1.61502  0.877208 0.403898  0.788285 0.375305  
1 1 1 26 9  45 o 0.709108 0.332917  0.386631     1.21086  1.33529      1.66022  -0.691453    1.76985  0.822192 0.387022  0.680484 0.338008  
1 1 1 26 10 0  f 3.99746  0.0859025 16.0028      0.686068 16.0028      0.686068 16.0028      0.686068 3.99891  0.0606885 ?        ?         
1 1 1 26 10 1  o 8.78269  0.0670701 77.1415      1.17811  79.4698      1.75085  75.215       1.59258  8.91384  0.0982095 8.67202  0.0918228 
1 1 1 26 10 2  o 13.8119  0.100402  190.801      2.77347  191.442      3.88906  190.137      3.95637  13.8339  0.140562  13.7866  0.143486  
1 1 1 26 10 3  o 22.6473  0.159731  513.115      7.23497  515.423      10.3948  510.947      10.0762  22.693   0.229032  22.5948  0.222976  
1 1 1 26 10 4  o 16.7083  0.116866  279.227      3.90526  281.344      5.61835  277.248      5.4321   16.7695  0.167517  16.6472  0.163153  
1 1 1 26 10 5  o 1.09159  0.137561  1.1919       0.30032  1.3119       0.411854 1.05565      0.438865 1.1451   0.179834  1.00708  0.223766  
1 1 1 26 10 6  o 9.03364  0.070531  81.6126      1.2743   81.2514      1.78508  81.9878      1.81969  9.0133   0.0990248 9.05403  0.100491  
1 1 1 26 10 7  o 20.7772  0.145663  431.828      6.05294  429.728      8.72107  433.78       8.40782  20.723   0.21042   20.821   0.201907  
1 1 1 26 10 8  o 5.81335  0.0597864 33.7968      0.695118 33.074       1.03938  34.3817      0.934976 5.75064  0.0903711 5.86331  0.0797311 
1 1 1 26 10 9  o 15.6017  0.10826   243.455      3.37807  242.232      4.70938  244.752      4.84827  15.5611  0.151319  15.6417  0.154979  
1 1 1 26 10 10 o 11.8342  0.089431  140.064      2.11668  141.382      3.09339  138.905      2.90259  11.8888  0.130096  11.7844  0.123154  
1 1 1 26 10 11 o 2.13065  0.109421  4.54059      0.466275 5.26         0.675345 3.88528      0.644557 2.29305  0.147259  1.97066  0.163538  
1 1 1 26 10 12 o 10.3728  0.0786649 107.606      1.63194  107.103      2.30081  108.117      2.31509  10.3478  0.111173  10.3967  0.111338  
1 1 1 26 10 13 o 12.5064  0.0991241 156.441      2.47937  157.967      3.61575  155.086      3.40633  12.5658  0.143872  12.451   0.13679   
1 1 1 26 10 14 o 6.80276  0.0693481 46.2824      0.943518 46.9359      1.32727  45.6147      1.34151  6.85029  0.0968772 6.75315  0.099325  
1 1 1 26 10 15 o 11.1334  0.0917857 123.975      2.04377  125.057      2.90421  122.915      2.87663  11.1807  0.129876  11.0846  0.129759  
1 1 1 26 10 16 o 12.3883  0.100807  153.509      2.49766  154.907      3.42875  151.928      3.64566  12.4431  0.137777  12.3225  0.147928  
1 1 1 26 10 17 o 6.76791  0.0855624 45.8142      1.15816  44.1506      1.58283  47.7311      1.6991   6.64324  0.119131  6.90727  0.122994  
1 1 1 26 10 18 o 5.90242  0.0879003 34.8473      1.03765  36.205       1.45442  33.4398      1.48085  6.01562  0.120887  5.78117  0.128075  
1 1 1 26 10 19 o 7.46313  0.099367  55.7208      1.48318  55.5897      2.17794  55.8343      2.02541  7.45256  0.146121  7.46939  0.135581  
1 1 1 26 10 20 o 6.49041  0.0861197 42.1409      1.1179   42.4608      1.55451  41.7982      1.6088   6.51389  0.119323  6.46267  0.124468  
1 1 1 26 10 21 o 13.2612  0.106981  175.976      2.83739  175.348      4.00921  176.607      4.01614  13.233   0.151485  13.2804  0.151205  
1 1 1 26 10 22 o 9.32878  0.0892733 87.0747      1.66562  88.8833      2.3868   85.3578      2.32549  9.42245  0.126655  9.23375  0.125923  
1 1 1 26 10 23 o 1.55986  0.249041  2.44642      0.776939 1.5951       1.08103  3.35596      1.11739  1.25656  0.389862  1.79662  0.322693  
1 1 1 26 10 24 o 0.993994 0.3255    0.960761     0.745453 1.47069      1.02853  0.396468     1.08196  1.20954  0.381284  0.9319   0.376007  
1 1 1 26 10 25 o 3.60626  0.125315  13.0314      0.90384  13.2084      1.24601  12.835       1.31307  3.62744  0.171748  3.57482  0.183655  
1 1 1 26 10 26 o 3.43656  0.12032   11.8356      0.826976 10.7453      1.14918  13.0067      1.19099  3.27035  0.175696  3.59901  0.16546   
1 1 1 26 10 27 o 3.69192  0.116859  13.6639      0.862867 14.1859      1.25426  13.1948      1.18892  3.75694  0.166925  3.62365  0.16405   
1 1 1 26 10 28 o 1.40439  0.287453  2.07689      0.779547 2.44399      1.1366   1.75081      1.0712   1.51204  0.376779  1.2939   0.385444  
1 1 1 26 10 29 o 1.47775  0.28473   2.29796      0.811487 1.89589      1.15253  2.69324      1.14276  1.34042  0.399913  1.58497  0.36737   
1 1 1 26 10 30 o 1.16395  0.333911  1.4342       0.817999 0.440119     1.15588  2.43154      1.15777  0.95289  0.386942  1.49922  0.384338  
1 1 1 26 10 31 o 4.42056  0.117916  19.6339      1.04251  18.3876      1.46189  20.9235      1.4871   4.26659  0.171318  4.55339  0.163296  
1 1 1 26 10 32 o 5.37996  0.108402  29.0687      1.1664   28.1003      1.63447  30.0737      1.66502  5.27763  0.154849  5.46054  0.15246   
1 1 1 26 10 33 o 3.55833  0.136505  12.76        0.97146  13.262       1.36125  12.2391      1.38681  3.61483  0.188287  3.4694   0.199863  
1 1 1 26 10 34 o 0.816412 0.338067  0.26467      0.901434 -0.278245    1.18628  1.00652      1.38669  0.815829 0.36222   1.11449  0.433248  
1 1 1 26 10 35 o 2.49279  0.194353  6.3547       0.968961 7.72956      1.36413  4.95461      1.37659  2.72943  0.249894  2.16095  0.318516  
1 1 1 26 10 36 o 0.791171 0.337208  0.127678     0.939969 -0.531278    1.28216  0.893342     1.38208  0.801697 0.364612  1.0719   0.428039  
1 1 1 26 10 37 o 3.20046  0.1699    10.4702      1.08752  10.6428      1.47275  10.2633      1.61273  3.19772  0.230281  3.12454  0.258074  
1 1 1 26 10 38 o 0.862196 0.351034  0.476337     0.953827 0.375589     1.33449  0.581562     1.36382  0.943932 0.402036  0.98803  0.412889  
1 1 1 26 10 39 o 1.18073  0.378549  1.66407      1.01057  1.59306      1.42417  1.73607      1.43421  1.17566  0.443694  1.20854  0.447467  
1 1 1 26 10 40 o 1.10016  0.375372  1.45567      0.991384 2.1942       1.41704  0.74763      1.38749  1.29003  0.448132  0.979765 0.413287  
1 1 1 26 10 41 o 1.33167  0.382886  2.34138      1.07436  3.20646      1.5518   1.54501      1.4889   1.46766  0.468944  1.0986   0.441988  
1 1 1 26 10 42 o 0.826984 0.355796  0.5445       1.06384  -0.862643    1.45969  2.13871      1.55369  0.730418 0.350069  1.16011  0.456787  
1 1 1 26 10 43 o 0.670382 0.316267  -0.435318    1.12068  -0.765913    1.5805   -0.101028    1.58931  0.737291 0.355994  0.798371 0.376643  
1 1 1 26 10 44 o 0.529102 0.263914  -1.769       1.13628  -1.15065     1.6346   -2.34719     1.58064  0.668368 0.330545  0.593925 0.298848  
1 1 1 26 10 45 o 0.622044 0.302145  -0.256617    1.18727  0.0139945    1.63902  -0.555376    1.72216  0.686175 0.337966  0.659617 0.328437  
1 1 1 26 11 0  o 15.2933  0.147402  233.991      4.5076   233.991      4.5076   233.991      4.5076   15.295   0.104206  ?        ?         
1 1 1 26 11 1  o 19.5922  0.132907  383.961      5.20787  384.52       7.2993   383.382      7.43258  19.6037  0.186171  19.5745  0.189854  
1 1 1 26 11 2  o 18.8841  0.129638  356.703      4.89619  356.158      6.91572  357.25       6.93281  18.8671  0.183274  18.896   0.183446  
1 1 1 26 11 3  o 6.45914  0.0586118 41.7227      0.757164 44.9921      1.16465  39.3292      0.996493 6.70722  0.0868203 6.27099  0.0794526 
1 1 1 26 11 4  o 19.3861  0.131647  375.918      5.10424  372.38       7.08026  379.747      7.36515  19.2923  0.1835    19.4819  0.189026  
1 1 1 26 11 5  f 20.4746  0.145169  419.337      5.94456  418.571      8.49745  420.071      8.31914  20.4524  0.207737  20.4893  0.203011  
1 1 1 26 11 6  o 11.7695  0.0873841 138.537      2.05694  138.591      2.91877  138.484      2.89924  11.7711  0.12398   11.7666  0.123198  
1 1 1 26 11 7  o 20.5009  0.140934  420.411      5.77857  416.382      8.10223  424.583      8.24388  20.3994  0.19859   20.5992  0.200102  
1 1 1 26 11 8  o 5.47056  0.06236   29.9288      0.682288 29.1614      0.989902 30.6233      0.941704 5.39978  0.0916613 5.53352  0.0850908 
1 1 1 26 11 9  o 15.501   0.111289  240.327      3.4502   239.104      4.85839  241.571      4.90051  15.46    0.157127  15.5396  0.157678  
1 1 1 26 11 10 o 4.40045  0.0641857 19.3652      0.564892 19.9544      0.826267 18.8482      0.774043 4.46672  0.0924916 4.34117  0.0891515 
1 1 1 26 11 11 o 15.5832  0.107849  242.885      3.36125  245.873      4.80826  240.03       4.70061  15.677   0.153354  15.4897  0.151734  
1 1 1 26 11 12 o 9.75131  0.075728  95.099       1.47689  94.7725      2.09101  95.4241      2.08628  9.73399  0.107408  9.7674   0.106798  
1 1 1 26 11 13 o 15.2195  0.107851  231.69       3.28288  229.712      4.55803  233.823      4.73225  15.1527  0.150404  15.2874  0.154776  
1 1 1 26 11 14 o 11.8097  0.0901207 139.494      2.1286   140.497      3.03101  138.518      2.99     11.851   0.127879  11.7673  0.127047  
1 1 1 26 11 15 o 9.43004  0.0845331 88.9408      1.5943   89.2971      2.24883  88.5808      2.26058  9.4481   0.11901   9.4101   0.120114  
1 1 1 26 11 16 o 15.694   0.122002  246.399      3.82938  246.971      5.29961  245.773      5.53947  15.7093  0.168678  15.6706  0.176748  
1 1 1 26 11 17 o 10.8068  0.10028   116.823      2.16742  115.747      3.0568   117.91       3.07366  10.7553  0.142107  10.8554  0.141573  
1 1 1 26 11 18 o 15.4647  0.121979  239.282      3.77273  237.543      5.29091  241.08       5.38113  15.4043  0.171734  15.5184  0.173379  
1 1 1 26 11 19 o 2.49826  0.1688    6.24922      0.84341  6.29993      1.17526  6.19538      1.21107  2.50686  0.234409  2.48573  0.243604  
1 1 1 26 11 20 o 11.1213  0.0939301 123.74       2.08924  124.711      2.8602   122.63       3.05909  11.1626  0.128115  11.0683  0.138192  
1 1 1 26 11 21 o 13.1169  0.105448  172.172      2.76632  174.37       3.93032  170.015      3.89425  13.1958  0.148923  13.0299  0.149435  
1 1 1 26 11 22 o 9.79209  0.0941421 95.9484      1.8437   93.719       2.62077  98.1327      2.59419  9.67416  0.135452  9.89979  0.131023  
1 1 1 26 11 23 o 4.00034  0.102626  16.0189      0.821077 17.0603      1.14248  14.9064      1.18082  4.12663  0.138428  3.85656  0.153093  
1 1 1 26 11 24 f 0.879544 0.326972  0.602251     0.76734  -0.26088     1.01738  1.74113      1.16865  0.774305 0.340512  1.30825  0.405242  
1 1 1 26 11 25 o 7.72233  0.0885346 59.6982      1.36739  58.8857      1.91465  60.544       1.95349  7.66554  0.124887  7.77262  0.125665  
1 1 1 26 11 26 o 0.873545 0.321025  0.621089     0.736197 1.36481      1.06208  -0.0667411   1.02139  1.1782   0.388526  0.809374 0.348427  
1 1 1 26 11 27 o 8.35219  0.0900841 69.8659      1.5048   69.641       2.13299  70.0887      2.12326  8.33225  0.127996  8.35918  0.127002  
1 1 1 26 11 28 o 1.48819  0.272131  2.318        0.779847 3.51147      1.15021  1.3026       1.06093  1.82704  0.326555  1.15512  0.388316  
1 1 1 26 11 29 o 4.75852  0.108819  22.7128      1.03563  24.0568      1.49953  21.4871      1.43201  4.89001  0.153325  4.62117  0.15494   
1 1 1 26 11 30 o 1.18237  0.329259  1.4875       0.806981 1.51358      1.13275  1.46063      1.14993  1.21947  0.401244  1.20648  0.404275  
1 1 1 26 11 31 f 5.01887  0.116178  25.3104      1.16617  25.1427      1.67001  25.4701      1.62917  4.98922  0.167362  5.02313  0.162167  
1 1 1 26 11 32 o 1.86262  0.22987   3.53944      0.856321 3.0894       1.18084  4.03861      1.24364  1.68648  0.360608  1.97239  0.315262  
1 1 1 26 11 33 o 4.46194  0.117918  20.0346      1.05229  17.9166      1.44909  22.3975      1.53057  4.20451  0.172325  4.70439  0.162675  
1 1 1 26 11 34 o 1.95038  0.235526  3.91858      0.918732 3.33962      1.22739  4.65629      1.38549  1.73735  0.364842  2.09637  0.330451  
1 1 1 26 11 35 o 1.58096  0.311953  2.72563      0.951252 2.18031      1.28944  3.3768       1.40905  1.38671  0.42489   1.71746  0.414374  
1 1 1 26 11 36 o 0.990679 0.358664  0.956864     0.915973 0.439948     1.24693  1.56272      1.34995  0.947094 0.395227  1.21368  0.435811  
1 1 1 26 11 37 o 1.50425  0.349446  2.5665       1.03214  1.63397      1.42877  3.58427      1.49264  1.23169  0.447748  1.73755  0.431053  
1 1 1 26 11 38 o 1.02172  0.366565  1.09447      0.954865 3.16636      1.35478  -0.95075     1.34603  1.61842  0.41626   0.755963 0.354208  
1 1 1 26 11 39 o 1.25695  0.369653  1.90462      0.990419 3.5348       1.38396  0.193272     1.41799  1.68341  0.413499  0.911374 0.40139   
1 1 1 26 11 40 f 3.05852  0.182835  9.82176      1.11841  9.84098      1.58636  9.80277      1.57702  2.9843   0.265784  2.97973  0.264626  
1 1 1 26 11 41 o 0.743748 0.332968  0.0119388    1.02231  0.0250738    1.46146  -0.000646749 1.43057  0.851696 0.387865  0.842067 0.38355   
1 1 1 26 11 42 o 0.748949 0.338172  0.112045     1.0761   0.658932     1.54626  -0.401593    1.49852  0.905463 0.407293  0.775861 0.365937  
1 1 1 26 11 43 o 0.887745 0.372177  1.00382      1.11379  3.50256      1.58974  -1.4052      1.56094  1.36933  0.474754  0.682628 0.334989  
1 1 1 26 11 44 o 0.581798 0.284994  -0.957024    1.1205   -0.558406    1.59728  -1.34326     1.57228  0.697025 0.341164  0.642805 0.319196  
1 1 1 26 11 45 o 0.66105  0.316392  0.190421     1.18215  0.735069     1.63327  -0.408854    1.71322  0.731284 0.354947  0.66274  0.329656  
1 1 1 26 12 0  o 33.6511  0.330249  1133.64      22.2217  1133.64      22.2217  1133.64      22.2217  33.6602  0.233433  ?        ?         
1 1 1 26 12 1  o 22.9062  0.157876  524.885      7.23265  525.16       10.3496  524.623      10.1115  22.9076  0.225899  22.8963  0.220812  
1 1 1 26 12 2  o 4.1319   0.0564288 17.0734      0.466316 17.4439      0.691875 16.7649      0.63123  4.17638  0.0828319 4.09432  0.0770861 
1 1 1 26 12 3  o 18.576   0.125141  345.148      4.64925  349.021      6.6456   341.435      6.50666  18.6777  0.177902  18.4737  0.176106  
1 1 1 26 12 4  o 12.6954  0.0928859 161.194      2.35845  161.313      3.34303  161.076      3.32773  12.6993  0.131623  12.69    0.131117  
1 1 1 26 12 5  o 15.5605  0.113752  242.174      3.54008  242.157      5.00703  242.191      5.00583  15.5584  0.160911  15.5595  0.160861  
1 1 1 26 12 6  o 9.9427   0.0789431 98.8664      1.56982  96.3781      2.18185  101.537      2.26033  9.81631  0.111134  10.0756  0.112169  
1 1 1 26 12 7  o 16.4143  0.11693   269.483      3.83865  269.274      5.55634  269.673      5.30942  16.406   0.169339  16.4184  0.161691  
1 1 1 26 12 8  o 5.54014  0.0645914 30.6951      0.715691 31.6696      1.06352  29.8885      0.967548 5.62719  0.0944988 5.4667   0.0884947 
1 1 1 26 12 9  o 20.0017  0.137902  400.189      5.51654  399.404      7.7877   400.979      7.81549  19.9789  0.194898  20.0183  0.195209  
1 1 1 26 12 10 o 14.9143  0.104519  222.48       3.11767  223.718      4.48035  221.318      4.34104  14.9542  0.149802  14.874   0.145928  
1 1 1 26 12 11 o 11.6526  0.0860817 135.802      2.00614  138.195      2.91675  133.653      2.76367  11.7539  0.124076  11.5592  0.119544  
1 1 1 26 12 12 o 7.05649  0.084537  49.8015      1.19307  53.6863      1.78973  46.6943      1.60058  7.32596  0.12215   6.83236  0.117133  
1 1 1 26 12 13 o 1.86852  0.141826  3.49288      0.530011 3.31543      0.748976 3.67087      0.750123 1.82     0.205762  1.91516  0.195838  
1 1 1 26 12 14 o 16.5278  0.121897  273.261      4.02937  278.132      5.71476  268.445      5.68215  16.6717  0.171391  16.3786  0.173462  
1 1 1 26 12 15 o 4.50842  0.0850591 20.3296      0.766965 20.1045      1.0418   20.596       1.13327  4.48303  0.116194  4.53738  0.124881  
1 1 1 26 12 16 o 12.7934  0.102744  163.719      2.62888  165.371      3.8341   162.254      3.61149  12.8556  0.149121  12.7343  0.141802  
1 1 1 26 12 17 o 7.43963  0.0881497 55.3618      1.3116   54.5037      1.95069  56.0699      1.77194  7.38061  0.13215   7.48631  0.118345  
1 1 1 26 12 18 o 2.75171  0.143566  7.57801      0.790103 7.97647      1.08938  7.13578      1.14764  2.8222   0.193002  2.66886  0.215006  
1 1 1 26 12 19 o 6.42564  0.0927028 41.3056      1.19135  44.4565      1.68065  38.1233      1.68902  6.66504  0.12608   6.17164  0.136837  
1 1 1 26 12 20 o 6.15216  0.0829231 37.8637      1.02031  37.3809      1.42605  38.37        1.46044  6.11167  0.116666  6.19194  0.117931  
1 1 1 26 12 21 o 4.45179  0.101218  19.8318      0.901202 19.9835      1.25571  19.6708      1.29414  4.46734  0.140543  4.43203  0.145999  
1 1 1 26 12 22 o 2.85739  0.139945  8.17751      0.799754 8.61382      1.06302  7.60847      1.214    2.93102  0.18134   2.75292  0.220494  
1 1 1 26 12 23 o 3.93555  0.104444  15.5061      0.822088 15.7809      1.11969  15.1847      1.21087  3.96845  0.141074  3.89191  0.155563  
1 1 1 26 12 24 o 8.632    0.0916897 74.5859      1.58293  74.8657      2.19008  74.2799      2.29051  8.64422  0.126679  8.6095   0.133022  
1 1 1 26 12 25 o 4.96537  0.0930407 24.6852      0.923963 26.3728      1.29641  22.943       1.31719  5.12961  0.126366  4.78343  0.137683  
1 1 1 26 12 26 o 0.957797 0.324044  0.870673     0.738799 0.6005       1.04375  1.14196      1.0459   0.963281 0.375586  1.10899  0.385022  
1 1 1 26 12 27 o 1.59571  0.236128  2.57432      0.753582 2.00027      1.05208  3.17915      1.07992  1.37272  0.373381  1.73878  0.322633  
1 1 1 26 12 28 o 1.95039  0.197611  3.83728      0.770834 3.92387      1.1027   3.75452      1.07797  1.9637   0.280771  1.92087  0.280594  
1 1 1 26 12 29 o 4.19215  0.123156  17.6471      1.03258  17.0601      1.51773  18.153       1.40891  4.11143  0.184575  4.2448   0.165958  
1 1 1 26 12 30 o 3.55306  0.123975  12.6848      0.880983 13.4942      1.26642  11.9259      1.22634  3.65626  0.173185  3.43623  0.178443  
1 1 1 26 12 31 o 5.95108  0.115438  35.5854      1.37397  35.1306      1.91213  36.0708      1.97558  5.89909  0.16207   5.97638  0.165283  
1 1 1 26 12 32 o 2.75571  0.158351  7.66931      0.872738 6.62532      1.20672  8.81427      1.26373  2.5458   0.237001  2.94213  0.214765  
1 1 1 26 12 33 o 3.19677  0.149553  10.3328      0.95617  9.28444      1.30673  11.5411      1.40284  3.01234  0.216895  3.36137  0.208671  
1 1 1 26 12 34 o 0.6592   0.300077  -0.46422     0.872778 -0.053802    1.17715  -0.96529     1.30067  0.846833 0.369374  0.759664 0.353414  
1 1 1 26 12 35 o 1.27367  0.353653  1.80737      0.93232  1.05336      1.25219  2.74529      1.39659  1.08675  0.414304  1.54     0.434558  
1 1 1 26 12 36 o 3.00906  0.166279  9.24203      1.00069  8.75541      1.36281  9.81137      1.4741   2.89969  0.234993  3.06678  0.240333  
1 1 1 26 12 37 o 1.81849  0.273804  3.51706      0.995822 4.03991      1.4134   3.00168      1.40326  1.8666   0.391161  1.58265  0.431547  
1 1 1 26 12 38 o 0.902695 0.357791  0.665654     0.959083 0.201956     1.36547  1.11716      1.3474   0.913831 0.398219  1.0799   0.425327  
1 1 1 26 12 39 o 0.884629 0.354773  0.644213     0.954968 0.427428     1.34665  0.863514     1.35444  0.929726 0.400155  1.01011  0.415945  
1 1 1 26 12 40 o 1.19835  0.384486  1.82126      1.04238  1.78481      1.49892  1.8554       1.45057  1.17711  0.451966  1.19284  0.448339  
1 1 1 26 12 41 o 0.601399 0.288718  -0.992873    1.00339  -1.19442     1.4404   -0.802867    1.39854  0.71447  0.34371   0.740505 0.350986  
1 1 1 26 12 42 o 0.774991 0.349569  0.221494     1.1469   -0.105497    1.56171  0.604313     1.68977  0.809928 0.379859  0.905329 0.413789  
1 1 1 26 12 43 o 0.665809 0.315615  -0.388137    1.13114  -1.82872     1.56288  1.19659      1.6392   0.645138 0.320061  0.922472 0.416903  
1 1 1 26 12 44 o 0.726756 0.335763  0.343566     1.14806  -0.656195    1.65546  1.26991      1.59352  0.70218  0.344712  0.866946 0.398573  
1 1 1 26 13 0  o 22.0989  0.213993  488.664      9.45605  488.664      9.45605  488.664      9.45605  22.1023  0.151277  ?        ?         
1 1 1 26 13 1  o 4.21148  0.0557843 17.7374      0.46987  18.9851      0.676886 16.5771      0.652763 4.35699  0.0776782 4.0713   0.0801663 
1 1 1 26 13 2  o 8.42838  0.0658171 71.042       1.10946  71.4593      1.58129  70.6375      1.55702  8.45281  0.0935366 8.40407  0.0926349 
1 1 1 26 13 3  o 1.41537  0.108036  2.00361      0.305822 3.09256      0.444345 1.02352      0.421551 1.75836  0.126352  0.991725 0.218425  
1 1 1 26 13 4  o 16.4721  0.119934  271.386      3.95112  268.564      5.54134  274.305      5.63528  16.3844  0.169105  16.5585  0.170162  
1 1 1 26 13 5  o 4.09226  0.065191  16.7477      0.533557 16.9489      0.757046 16.549       0.752105 4.11664  0.0919495 4.06778  0.0924465 
1 1 1 26 13 6  o 12.6387  0.0977741 159.76       2.47148  158.938      3.48545  160.592      3.50503  12.6052  0.138254  12.6706  0.138313  
1 1 1 26 13 7  o 11.0852  0.0872733 122.895      1.93488  121.776      2.69108  124.093      2.78395  11.034   0.121945  11.1384  0.124971  
1 1 1 26 13 8  o 18.9866  0.135825  360.598      5.15773  359.614      7.3535   361.55       7.23618  18.9577  0.193945  19.0089  0.190336  
1 1 1 26 13 9  o 9.10395  0.0751709 82.89        1.3687   82.8385      2.0271   82.9331      1.85554  9.10058  0.111372  9.10594  0.101886  
1 1 1 26 13 10 o 23.5029  0.1577    552.644      7.41283  551.047      10.4589  554.256      10.508   23.4633  0.222876  23.5315  0.223274  
1 1 1 26 13 11 o 1.94618  0.122008  3.78876      0.474899 3.84057      0.676591 3.73845      0.666735 1.95914  0.172675  1.93292  0.172468  
1 1 1 26 13 12 f 2.83095  0.0953853 8.01581      0.540062 9.00894      0.779913 7.10088      0.748576 3.00095  0.129944  2.66419  0.140488  
1 1 1 26 13 13 o 16.3681  0.120246  268.001      3.9364   268.729      5.5089   267.241      5.62679  16.3878  0.168079  16.3421  0.172156  
1 1 1 26 13 14 o 24.8702  0.174715  618.981      8.69039  618.732      12.2856  619.23       12.2945  24.8559  0.247136  24.8659  0.247216  
1 1 1 26 13 15 o 5.00388  0.0801057 25.0431      0.801679 25.4512      1.18068  24.694       1.092    5.04398  0.117038  4.9685   0.109892  
1 1 1 26 13 16 o 3.17126  0.11948   10.0612      0.757804 9.76883      1.09602  10.3289      1.04892  3.12407  0.175416  3.21258  0.163252  
1 1 1 26 13 17 o 12.5378  0.103146  157.255      2.58644  155.832      3.59578  158.781      3.72311  12.4788  0.144076  12.5961  0.147789  
1 1 1 26 13 18 o 14.7994  0.121044  219.162      3.58277  217.026      4.89408  221.628      5.25921  14.7229  0.166206  14.877   0.176756  
1 1 1 26 13 19 o 10.5279  0.0967421 110.89       2.03698  109.908      2.81407  111.97       2.95236  10.4789  0.134273  10.5764  0.139574  
1 1 1 26 13 20 o 6.32778  0.0829705 40.0572      1.05004  39.81        1.45644  40.3248      1.51526  6.307    0.115462  6.34748  0.119359  
1 1 1 26 13 21 o 8.9916   0.0904014 80.8956      1.62571  81.2833      2.21379  80.4417      2.39509  9.01087  0.12284   8.96321  0.133607  
1 1 1 26 13 22 o 9.12575  0.086007  83.3336      1.56976  83.7476      2.15773  82.8681      2.28794  9.14575  0.117963  9.09685  0.125755  
1 1 1 26 13 23 o 3.42487  0.115021  11.7465      0.787866 11.5972      1.07083  11.9227      1.16333  3.40092  0.157433  3.44764  0.168713  
1 1 1 26 13 24 o 7.91898  0.0900053 62.7747      1.4255   64.4167      1.98877  61.0396      2.0443   8.01818  0.124016  7.80429  0.130973  
1 1 1 26 13 25 o 2.37184  0.158469  5.64654      0.751727 4.79552      1.02704  6.62855      1.10325  2.18086  0.235466  2.56576  0.214996  
1 1 1 26 13 26 o 5.23546  0.095114  27.4537      0.995931 28.1117      1.37252  26.722       1.44738  5.29417  0.129625  5.16034  0.140241  
1 1 1 26 13 27 o 4.74116  0.0968792 22.5215      0.918639 21.6928      1.28948  23.3756      1.30904  4.6485   0.138699  4.82585  0.135628  
1 1 1 26 13 28 o 4.01816  0.108509  16.1904      0.872015 16.5222      1.23051  15.8556      1.23594  4.05378  0.151773  3.97062  0.155635  
1 1 1 26 13 29 o 5.1692   0.106986  26.8074      1.10607  25.4989      1.62787  27.9295      1.50749  5.03115  0.16178   5.26969  0.143034  
1 1 1 26 13 30 o 3.38333  0.130404  11.51        0.8824   12.6832      1.25334  10.357       1.24254  3.54317  0.176867  3.19845  0.19424   
1 1 1 26 13 31 o 3.49255  0.148071  12.2936      1.03429  13.1715      1.42779  11.3243      1.50032  3.60378  0.198095  3.3348   0.224948  
1 1 1 26 13 32 o 2.36041  0.180952  5.64452      0.854241 5.80752      1.18765  5.46979      1.2296   2.38022  0.249482  2.30598  0.266612  
1 1 1 26 13 33 o 3.04159  0.155731  9.36412      0.947342 10.1745      1.31538  8.49075      1.36552  3.15558  0.208421  2.87351  0.237604  
1 1 1 26 13 34 o 1.72896  0.251739  3.09912      0.870492 4.34718      1.18293  1.62501      1.2856   2.03565  0.290553  1.23948  0.4272    
1 1 1 26 13 35 o 2.33743  0.204854  5.61383      0.957665 5.89221      1.31822  5.3027       1.39361  2.36774  0.278371  2.23227  0.312151  
1 1 1 26 13 36 f 0.924316 0.35574   0.715759     0.930051 -0.0236657   1.25688  1.61061      1.38268  0.8664   0.379758  1.22633  0.440992  
1 1 1 26 13 37 o 3.58505  0.151079  13.1097      1.08325  14.2416      1.53574  11.9888      1.52819  3.70485  0.207261  3.38793  0.225534  
1 1 1 26 13 38 o 1.62303  0.305763  2.97221      0.956152 1.86046      1.35059  4.08929      1.35383  1.24559  0.437037  1.85981  0.377117  
1 1 1 26 13 39 f 0.742629 0.325557  0.0369159    0.923994 0.33317      1.28023  -0.285201    1.33494  0.895815 0.38791   0.817038 0.37171   
1 1 1 26 13 40 o 0.620672 0.297336  -1.04169     1.05005  -2.45829     1.51329  0.27371      1.45823  0.649704 0.320524  0.899326 0.400271  
1 1 1 26 13 41 o 0.789987 0.341229  0.342724     0.985952 1.15852      1.42661  -0.40323     1.36418  1.01056  0.422293  0.772222 0.360292  
1 1 1 26 13 42 o 0.644563 0.308245  -0.706268    1.11619  -1.27853     1.45942  0.100236     1.73255  0.679223 0.331126  0.847127 0.397808  
1 1 1 26 13 43 o 0.624765 0.301744  -0.670317    1.13771  -0.490389    1.53187  -0.891645    1.69899  0.717478 0.347143  0.713921 0.350071  
1 1 1 26 13 44 o 0.767325 0.348053  0.648713     1.15281  -0.253428    1.61458  1.58692      1.64654  0.723081 0.351575  0.899164 0.410074  
1 1 1 26 14 0  o 19.9979  0.19011   400.133      7.60207  400.133      7.60207  400.133      7.60207  20.0006  0.134396  ?        ?         
1 1 1 26 14 1  o 13.1153  0.0932207 172.034      2.44524  171.058      3.44018  173.032      3.47629  13.0772  0.131534  13.1524  0.132154  
1 1 1 26 14 2  o 19.4713  0.132383  379.229      5.15532  375.303      7.14805  383.484      7.44229  19.3678  0.184535  19.5774  0.190073  
1 1 1 26 14 3  o 12.4204  0.0888791 154.285      2.20783  153.404      3.10705  155.183      3.13786  12.3842  0.125444  12.4557  0.125961  
1 1 1 26 14 4  o 14.2445  0.105281  202.939      2.99934  200.75       4.20149  205.213      4.2831   14.1663  0.148292  14.3228  0.14952   
1 1 1 26 14 5  o 10.6459  0.0861836 113.347      1.835    112.238      2.61444  114.423      2.57613  10.593   0.123404  10.6957  0.120429  
1 1 1 26 14 6  o 5.44868  0.0628818 29.6899      0.685246 30.8011      0.976567 28.6121      0.96177  5.54955  0.0879862 5.34869  0.0899071 
1 1 1 26 14 7  o 16.2078  0.118773  262.752      3.8501   259.319      5.37957  266.357      5.51258  16.0997  0.16707   16.3167  0.168925  
1 1 1 26 14 8  o 15.4073  0.113594  237.436      3.50034  238.62       5.10053  236.382      4.81248  15.4437  0.165133  15.3714  0.15654   
1 1 1 26 14 9  o 2.85015  0.0830535 8.12439      0.47343  7.47388      0.682588 8.72739      0.657195 2.73344  0.124859  2.95387  0.111243  
1 1 1 26 14 10 o 22.627   0.152043  512.221      6.88058  508.994      9.6775   515.52       9.78459  22.5504  0.214575  22.6944  0.215573  
1 1 1 26 14 11 o 13.6297  0.0976528 185.806      2.66196  188.912      3.7801   182.751      3.74924  13.7418  0.13754   13.5158  0.138699  
1 1 1 26 14 12 f 11.4065  0.0860349 130.128      1.96271  129.146      2.72709  131.184      2.82698  11.3625  0.120005  11.4516  0.123431  
1 1 1 26 14 13 o 23.345   0.166349  545.339      7.76685  544.262      11.0996  546.373      10.8719  23.314   0.238045  23.3599  0.232705  
1 1 1 26 14 14 o 9.20006  0.0830865 84.6561      1.5288   87.3986      2.2941   82.4651      2.05046  9.34691  0.122719  9.07954  0.112917  
1 1 1 26 14 15 o 7.13183  0.0771685 50.8715      1.1007   50.9293      1.57428  50.8163      1.53957  7.13524  0.110317  7.12737  0.108004  
1 1 1 26 14 16 o 12.0972  0.103647  146.392      2.50768  144.291      3.51792  148.562      3.57558  12.008   0.146482  12.1845  0.146727  
1 1 1 26 14 17 o 4.19541  0.0947853 17.6075      0.795326 18.1293      1.12493  17.086       1.12459  4.25641  0.132146  4.13205  0.136081  
1 1 1 26 14 18 o 12.6392  0.111748  159.843      2.82481  160.709      4.11492  159.072      3.88477  12.6693  0.162398  12.6053  0.154092  
1 1 1 26 14 19 o 2.35164  0.159891  5.53795      0.752013 5.06995      1.00547  6.13212      1.13291  2.2486   0.223577  2.47279  0.229076  
1 1 1 26 14 20 o 2.55122  0.147788  6.51775      0.754079 7.00619      1.0398   5.97586      1.09521  2.64364  0.196661  2.44062  0.224371  
1 1 1 26 14 21 o 8.12429  0.0911478 66.0458      1.48102  64.7715      2.1167   67.268       2.07295  8.04272  0.131591  8.19667  0.126451  
1 1 1 26 14 22 o 4.25252  0.0956965 18.1         0.813902 17.6209      1.10011  18.6794      1.20974  4.19424  0.131146  4.31786  0.140086  
1 1 1 26 14 23 o 6.22788  0.0874532 38.8199      1.0893   38.4493      1.50323  39.2297      1.58067  6.19559  0.121315  6.25771  0.126298  
1 1 1 26 14 24 o 5.86565  0.085706  34.4402      1.00544  32.4238      1.36976  36.7958      1.48052  5.6886   0.120395  6.05982  0.122159  
1 1 1 26 14 25 o 4.80911  0.096998  23.1613      0.932947 21.9207      1.27914  24.5714      1.36369  4.67508  0.136804  4.94958  0.137758  
1 1 1 26 14 26 o 3.99705  0.108236  16.011       0.865247 16.9772      1.18839  14.9211      1.26224  4.11238  0.144489  3.8532   0.163791  
1 1 1 26 14 27 o 4.94923  0.0978977 24.5441      0.969036 23.2812      1.32188  26.0113      1.42474  4.81561  0.137249  5.08975  0.139962  
1 1 1 26 14 28 o 0.821631 0.325247  0.3968       0.791619 -1.06974     1.14301  1.74868      1.09742  0.700377 0.327848  1.29097  0.391265  
1 1 1 26 14 29 o 0.82334  0.323027  0.432981     0.774546 0.24854      1.14467  0.588749     1.05194  0.909818 0.379108  0.95476  0.375884  
1 1 1 26 14 30 o 4.0563   0.124444  16.5405      1.00956  17.263       1.44438  15.8505      1.41166  4.13319  0.17473   3.95964  0.178256  
1 1 1 26 14 31 o 1.22943  0.347412  1.62345      0.892001 1.22052      1.22577  2.07701      1.30051  1.14833  0.414989  1.38757  0.427026  
1 1 1 26 14 32 o 2.16344  0.202291  4.75875      0.875286 3.80109      1.23886  5.71326      1.23682  1.87887  0.342361  2.35693  0.262379  
1 1 1 26 14 33 o 5.1241   0.112583  26.4261      1.15377  25.3231      1.58323  27.6753      1.68487  5.00031  0.158313  5.22617  0.161196  
1 1 1 26 14 34 o 2.16069  0.210835  4.79142      0.911098 4.3958       1.23268  5.26778      1.35264  2.04223  0.301796  2.23534  0.302556  
1 1 1 26 14 35 o 1.00228  0.355928  0.996204     0.898205 1.99875      1.26722  -0.015998    1.27331  1.32808  0.42371   0.877388 0.383419  
1 1 1 26 14 36 o 1.93945  0.25166   3.94334      0.976163 3.05311      1.32455  5.00166      1.4442   1.61713  0.409036  2.14547  0.33657   
1 1 1 26 14 37 o 1.10152  0.365154  1.34197      0.938142 2.58694      1.30065  -0.00814009  1.35446  1.47052  0.420786  0.889138 0.391877  
1 1 1 26 14 38 o 0.790296 0.338006  0.20663      0.950217 -0.0941538   1.31257  0.537859     1.37739  0.84593  0.378037  0.963014 0.409254  
1 1 1 26 14 39 o 0.867212 0.347536  0.629454     0.915465 0.841529     1.26047  0.3927       1.33179  0.981803 0.40226   0.913778 0.395666  
1 1 1 26 14 40 o 0.687542 0.318915  -0.45648     1.04915  1.25845      1.49171  -2.13519     1.47587  1.0543   0.435628  0.656948 0.32346   
1 1 1 26 14 41 o 0.769865 0.338882  0.237496     1.00961  0.378759     1.36112  0.0647079    1.50536  0.864452 0.385676  0.849071 0.38911   
1 1 1 26 14 42 o 0.971229 0.385467  1.33839      1.11455  2.86252      1.49538  -0.566505    1.67177  1.27318  0.458534  0.775297 0.372317  
1 1 1 26 14 43 o 0.76141  0.344593  0.525729     1.12375  1.69332      1.61979  -0.557688    1.56031  0.94168  0.420414  0.709382 0.345134  
1 1 1 26 14 44 o 0.534216 0.265871  -1.53805     1.12198  0.333639     1.62504  -3.24302     1.55098  0.756895 0.364353  0.541322 0.275311  
1 1 1 26 15 0  o 3.79782  0.0864608 14.4466      0.655956 14.4466      0.655956 14.4466      0.655956 3.79935  0.0610765 ?        ?         
1 1 1 26 15 1  o 15.0439  0.102922  226.355      3.09671  225.332      4.36069  227.395      4.39835  15.0087  0.145273  15.0772  0.145861  
1 1 1 26 15 2  o 15.4527  0.105611  238.826      3.26396  237.735      4.59751  239.934      4.63459  15.416   0.149114  15.4871  0.149627  
1 1 1 26 15 3  o 14.163   0.0987058 200.621      2.79595  201.959      4.02198  199.369      3.88948  14.209   0.141529  14.1178  0.137751  
1 1 1 26 15 4  o 15.7494  0.112635  248.09       3.54786  245.378      4.96965  250.91       5.06662  15.6615  0.158658  15.837   0.159961  
1 1 1 26 15 5  o 20.0749  0.144657  403.13       5.80796  398.929      8.13363  407.501      8.29617  19.9667  0.20368   20.1799  0.205555  
1 1 1 26 15 6  o 31.8571  0.226493  1015.72      14.4308  1019.39      20.4777  1012.1       20.3395  31.9007  0.32096   31.7866  0.319938  
1 1 1 26 15 7  o 0.856107 0.251899  0.744542     0.459808 0.0381309    0.648914 1.45687      0.651628 0.671624 0.28294   1.18248  0.27959   
1 1 1 26 15 8  o 15.1359  0.112185  229.148      3.39604  227.141      4.76673  231.217      4.83955  15.0677  0.158177  15.2022  0.159173  
1 1 1 26 15 9  o 21.3717  0.144228  456.94       6.16479  456.759      8.71475  457.121      8.72191  21.363   0.203969  21.3714  0.204056  
1 1 1 26 15 10 o 7.95754  0.0736792 63.3296      1.17261  62.814       1.57201  63.9764      1.76062  7.92471  0.0991839 7.99751  0.110073  
1 1 1 26 15 11 o 9.45399  0.0750908 89.3888      1.41982  92.1455      2.05486  86.8704      1.96406  9.59805  0.107045  9.31931  0.105376  
1 1 1 26 15 12 o 9.8475   0.0812891 96.9876      1.60099  98.3745      2.3566   95.7989      2.18177  9.9168   0.118819  9.78631  0.111471  
1 1 1 26 15 13 o 21.7864  0.153958  474.926      6.7084   468.07       9.35681  482.177      9.62299  21.6224  0.216369  21.9454  0.219248  
1 1 1 26 15 14 o 13.8312  0.102012  191.355      2.82188  190.495      3.9785   192.226      4.00309  13.7981  0.144169  13.8606  0.144405  
1 1 1 26 15 15 o 10.4192  0.0912562 108.586      1.90163  108.809      2.68881  108.364      2.6898   10.4285  0.128916  10.4072  0.129228  
1 1 1 26 15 16 o 19.3614  0.15463   375.174      5.9877   377.149      8.75864  373.441      8.2043   19.4031  0.225702  19.3095  0.212443  
1 1 1 26 15 17 o 4.71718  0.0879392 22.2591      0.82965  21.7587      1.17713  22.7531      1.16951  4.66301  0.12622   4.76847  0.12263   
1 1 1 26 15 18 o 5.87473  0.0919799 34.5271      1.08071  35.2504      1.51424  33.7762      1.54289  5.93478  0.127573  5.80916  0.132798  
1 1 1 26 15 19 o 8.23606  0.0832054 67.8601      1.37057  68.3006      1.86198  67.3392      2.0248   8.26136  0.112692  8.2024   0.123427  
1 1 1 26 15 20 f 2.56621  0.150052  6.59556      0.770132 8.18856      1.06527  4.85142      1.11467  2.85814  0.186358  2.19772  0.253596  
1 1 1 26 15 21 o 2.85692  0.12722   8.17298      0.726916 6.46591      0.983773 10.2258      1.07882  2.53883  0.193745  3.19397  0.168883  
1 1 1 26 15 22 o 2.62306  0.137443  6.89407      0.721042 6.0241       0.963001 8.00409      1.08778  2.44948  0.196573  2.8237   0.192616  
1 1 1 26 15 23 o 2.15779  0.173005  4.67277      0.746619 4.25177      1.02014  5.15841      1.09566  2.05438  0.248284  2.26326  0.242054  
1 1 1 26 15 24 o 4.46597  0.093854  19.9698      0.838298 19.5169      1.15664  20.471       1.21671  4.41239  0.131067  4.51865  0.134632  
1 1 1 26 15 25 o 4.72812  0.0958761 22.3891      0.906627 20.1042      1.22832  25.1236      1.34377  4.47676  0.137189  5.00483  0.134248  
1 1 1 26 15 26 o 10.1159  0.0956658 102.514      1.93549  102.67       2.67814  102.344      2.80035  10.1154  0.13238   10.0976  0.138664  
1 1 1 26 15 27 o 2.33115  0.165076  5.46683      0.769634 5.69305      1.07678  5.23054      1.10046  2.3727   0.22691   2.27253  0.242122  
1 1 1 26 15 28 o 4.0366   0.113861  16.3503      0.919224 16.4677      1.3089   16.236       1.29124  4.0441   0.161828  4.01573  0.160773  
1 1 1 26 15 29 o 1.95725  0.203277  3.87914      0.795727 4.64444      1.11986  3.09871      1.13088  2.13276  0.262538  1.7017   0.34431   
1 1 1 26 15 30 o 2.93475  0.159369  8.69161      0.935413 7.97719      1.28359  9.5007       1.366    2.79785  0.229388  3.05478  0.223584  
1 1 1 26 15 31 o 2.97671  0.155383  8.94282      0.925058 8.81578      1.30337  9.07178      1.31315  2.94151  0.221547  2.98429  0.22001   
1 1 1 26 15 32 o 2.55986  0.170456  6.63883      0.872683 6.97161      1.23458  6.30651      1.23374  2.60754  0.236733  2.47677  0.249062  
1 1 1 26 15 33 o 1.351    0.337351  2.00914      0.909734 2.04061      1.24556  1.97316      1.33188  1.35542  0.418066  1.34052  0.435065  
1 1 1 26 15 34 o 1.68274  0.26989   2.95724      0.908311 2.85181      1.25146  3.07461      1.32041  1.58484  0.395625  1.64277  0.404127  
1 1 1 26 15 35 o 1.07892  0.355422  1.25053      0.888805 1.08726      1.24573  1.41983      1.26849  1.0861   0.413474  1.17072  0.422251  
1 1 1 26 15 36 o 2.29951  0.222768  5.49014      1.02452  5.39392      1.40884  5.59813      1.49256  2.23847  0.314688  2.27333  0.328275  
1 1 1 26 15 37 o 1.59302  0.311999  2.83919      0.958596 3.49898      1.33257  2.13159      1.38     1.72243  0.395029  1.33611  0.442874  
1 1 1 26 15 38 o 1.36468  0.345449  2.20372      0.944195 3.98109      1.3024   0.234709     1.37082  1.83079  0.368637  0.90839  0.397391  
1 1 1 26 15 39 o 1.37098  0.340223  2.26104      0.929644 1.48848      1.2762   3.13445      1.35694  1.11935  0.420566  1.55121  0.424983  
1 1 1 26 15 40 o 1.45181  0.362041  2.69431      1.04883  2.4117       1.48646  2.97451      1.4801   1.28521  0.457731  1.4251   0.458248  
1 1 1 26 15 41 o 1.16603  0.394211  1.93554      1.09339  2.98026      1.4971   0.741289     1.60066  1.36145  0.461282  0.935633 0.417813  
1 1 1 26 15 42 o 1.80292  0.342646  4.34981      1.19091  1.87265      1.58224  7.58717      1.80881  1.05642  0.443275  2.26971  0.4138    
1 1 1 26 15 43 o 0.714779 0.328482  0.290116     1.08113  1.99351      1.56621  -1.26031     1.49423  0.971878 0.424971  0.642232 0.317236  
1 1 1 26 15 44 o 0.71511  0.330332  0.54018      1.11068  2.51221      1.61969  -1.21023     1.52597  0.950915 0.42259   0.617501 0.307702  
1 1 1 26 16 0  o 18.809   0.184036  353.971      6.9216   353.971      6.9216   353.971      6.9216   18.8115  0.130102  ?        ?         
1 1 1 26 16 1  o 5.39824  0.0565504 29.1423      0.610545 28.4664      0.853741 29.85        0.873479 5.33512  0.0800114 5.46324  0.0799415 
1 1 1 26 16 2  o 15.8222  0.110541  250.388      3.498    250.368      4.94891  250.408      4.94493  15.82    0.156413  15.8213  0.156275  
1 1 1 26 16 3  o 6.5552   0.0607472 42.9732      0.79642  42.5508      1.17222  43.3353      1.0854   6.52268  0.0898576 6.5826   0.0824444 
1 1 1 26 16 4  o 18.8903  0.13341   356.945      5.04032  352.587      7.04591  361.512      7.2132   18.7719  0.187672  19.0079  0.189742  
1 1 1 26 16 5  o 16.2923  0.119121  265.501      3.88149  264.591      5.47252  266.422      5.50616  16.2623  0.168257  16.3185  0.168709  
1 1 1 26 16 6  o 16.0639  0.11943   258.114      3.83703  257.165      5.48103  259.025      5.37333  16.0322  0.170938  16.0903  0.166975  
1 1 1 26 16 7  o 10.628   0.0842791 112.97       1.79144  110.619      2.49339  115.478      2.57556  10.5162  0.118551  10.7446  0.119854  
1 1 1 26 16 8  o 7.76061  0.0733582 60.2336      1.13861  61.5442      1.5812   58.822       1.64094  7.84421  0.100787  7.66866  0.10699   
1 1 1 26 16 9  o 4.61134  0.0698221 21.2666      0.643947 21.5971      0.929768 20.9619      0.892719 4.64679  0.100044  4.57797  0.0975017 
1 1 1 26 16 10 o 12.389   0.0949199 153.518      2.35194  153.018      3.38536  153.985      3.26992  12.3675  0.136865  12.4068  0.13178   
1 1 1 26 16 11 o 35.518   0.241574  1263.16      17.1605  1271.84      24.4363  1254.71      24.1043  35.6163  0.34305   35.3762  0.340686  
1 1 1 26 16 12 o 8.26312  0.0739898 68.2881      1.22277  69.2699      1.72797  67.3035      1.73055  8.32177  0.103822  8.20277  0.105486  
1 1 1 26 16 13 f 19.3696  0.138141  375.368      5.35148  375.258      7.56841  375.477      7.56786  19.3618  0.195447  19.3675  0.195376  
1 1 1 26 16 14 o 26.8756  0.180765  722.981      9.71633  717.664      13.6502  728.442      13.8336  26.764   0.25501   26.9639  0.25652   
1 1 1 26 16 15 f 12.6465  0.106346  159.991      2.68981  160.431      3.95577  159.612      3.6684   12.6612  0.156216  12.6295  0.145231  
1 1 1 26 16 16 o 6.34246  0.0801238 40.2368      1.01636  40.6687      1.42824  39.7936      1.44665  6.37565  0.112007  6.3066   0.114693  
1 1 1 26 16 17 o 6.20048  0.0816213 38.4579      1.01218  39.3239      1.44868  37.6319      1.41481  6.26892  0.115544  6.13258  0.115352  
1 1 1 26 16 18 o 6.83483  0.0878086 46.7344      1.20031  48.7402      1.76171  44.9965      1.63984  6.97843  0.126225  6.70525  0.12228   
1 1 1 26 16 19 o 7.34631  0.0841687 53.9921      1.23666  54.0754      1.70521  53.8998      1.79613  7.35049  0.115993  7.33819  0.122382  
1 1 1 26 16 20 o 1.75169  0.209586  3.07837      0.734262 3.06721      0.982529 3.09249      1.10504  1.74619  0.281334  1.72309  0.332525  
1 1 1 26 16 21 o 6.08341  0.0839931 37.032       1.02193  36.2237      1.3952   37.9675      1.50105  6.01489  0.115979  6.15756  0.121887  
1 1 1 26 16 22 o 4.4118   0.0962903 19.4838      0.849628 20.3579      1.18277  18.5518      1.22126  4.50772  0.131194  4.30244  0.141927  
1 1 1 26 16 23 o 3.40064  0.111503  11.5829      0.758363 11.8421      1.04105  11.2898      1.10696  3.43615  0.151484  3.35415  0.165014  
1 1 1 26 16 24 o 5.57102  0.0865919 31.0709      0.964812 31.6052      1.35953  30.5288      1.36943  5.61568  0.121047  5.51891  0.124067  
1 1 1 26 16 25 o 1.71869  0.208954  2.9766       0.718252 3.2248       0.982018 2.69108      1.05324  1.78384  0.275253  1.59451  0.340292  
1 1 1 26 16 26 o 3.16469  0.122579  10.0458      0.775852 9.47345      1.06089  10.7038      1.13756  3.06866  0.172859  3.26168  0.174382  
1 1 1 26 16 27 o 6.60296  0.0881663 43.6778      1.16432  43.5598      1.64149  43.7973      1.65175  6.58814  0.124579  6.606    0.125019  
1 1 1 26 16 28 o 6.29001  0.0962481 39.6667      1.2108   41.2987      1.73751  38.126       1.68822  6.4101   0.135529  6.1586   0.137062  
1 1 1 26 16 29 o 5.04508  0.0997275 25.5333      1.00627  25.2383      1.40419  25.8446      1.44274  5.008    0.140195  5.0673   0.142358  
1 1 1 26 16 30 o 2.32128  0.192177  5.45984      0.89219  6.31119      1.28387  4.66473      1.24073  2.48233  0.258601  2.12729  0.291624  
1 1 1 26 16 31 o 3.82623  0.129431  14.7373      0.990465 15.1513      1.3469   14.2499      1.46158  3.86923  0.174053  3.74667  0.19505   
1 1 1 26 16 32 o 1.76688  0.233485  3.20648      0.825083 3.55932      1.14362  2.82344      1.19154  1.81519  0.32694   1.5953   0.378635  
1 1 1 26 16 33 o 2.11166  0.223345  4.5855       0.943259 5.53305      1.30281  3.54155      1.36747  2.30018  0.283198  1.77432  0.395563  
1 1 1 26 16 34 o 0.744525 0.322746  -0.0206386   0.888044 0.76285      1.21317  -0.925084    1.30345  1.01296  0.402117  0.762253 0.3543    
1 1 1 26 16 35 o 0.755682 0.327184  0.015601     0.910537 -0.77047     1.25109  0.900912     1.32771  0.757409 0.350146  1.05834  0.420503  
1 1 1 26 16 36 o 1.18289  0.368489  1.57985      0.96445  0.135445     1.34433  3.1117       1.38443  0.913084 0.396475  1.61854  0.423     
1 1 1 26 16 37 o 0.555046 0.268645  -1.32781     0.920435 -0.375463    1.27808  -2.35392     1.32666  0.80486  0.365512  0.621379 0.306082  
1 1 1 26 16 38 o 0.870594 0.35074   0.598307     0.939428 1.21494      1.2823   -0.116081    1.3802   1.07351  0.416764  0.855789 0.384884  
1 1 1 26 16 39 o 0.783163 0.336786  0.248344     0.952407 0.364585     1.28775  0.107985     1.41505  0.88868  0.386993  0.877709 0.392371  
1 1 1 26 16 40 o 1.19453  0.3803    1.88585      1.02126  2.26828      1.4041   1.45628      1.48812  1.25507  0.445082  1.07811  0.438623  
1 1 1 26 16 41 o 0.952763 0.383163  1.15679      1.11834  0.588267     1.62932  1.66323      1.53779  0.907205 0.412176  1.06009  0.440421  
1 1 1 26 16 42 o 0.694114 0.322547  -0.144438    1.07942  -0.415012    1.47537  0.167206     1.58339  0.746366 0.356321  0.820247 0.384301  
1 1 1 26 16 43 o 1.05096  0.393977  2.07881      1.11869  1.45622      1.65769  2.59946      1.51592  0.881119 0.405689  1.06015  0.438663  
1 1 1 26 16 44 o 0.595754 0.290207  -0.393044    1.113    0.553772     1.62338  -1.23285     1.52889  0.717616 0.349733  0.59907  0.299535  
1 1 1 26 17 0  o 23.3904  0.221852  547.476      10.3763  547.476      10.3763  547.476      10.3763  23.3943  0.156831  ?        ?         
1 1 1 26 17 1  o 16.5279  0.112732  273.227      3.72645  269.438      5.20322  277.216      5.33942  16.4112  0.158527  16.6463  0.160379  
1 1 1 26 17 2  f 12.4027  0.0873444 153.847      2.16662  153.721      3.06556  153.973      3.06256  12.3969  0.123643  12.407   0.123421  
1 1 1 26 17 3  o 11.4751  0.0851374 131.694      1.95392  127.553      2.72285  136.091      2.80553  11.2925  0.12056   11.6643  0.120261  
1 1 1 26 17 4  f 2.31958  0.0956361 5.38129      0.44367  5.05239      0.618783 5.72927      0.63648  2.24738  0.137668  2.39321  0.132976  
1 1 1 26 17 5  o 15.2672  0.112709  233.143      3.44151  230.757      4.82145  235.621      4.91393  15.1872  0.158734  15.3463  0.160101  
1 1 1 26 17 6  o 12.3166  0.0940043 151.724      2.31562  151.822      3.27878  151.626      3.27079  12.3195  0.133073  12.3115  0.132835  
1 1 1 26 17 7  o 10.4554  0.0884984 109.333      1.85058  112.377      2.6835   106.573      2.55542  10.5991  0.126591  10.3218  0.123787  
1 1 1 26 17 8  o 18.2128  0.134506  331.829      4.89945  326.423      6.9152   337.278      6.94262  18.0603  0.191448  18.3583  0.189087  
1 1 1 26 17 9  o 5.19043  0.0736454 26.9437      0.764503 26.0667      1.07917  27.8271      1.08318  5.10494  0.105699  5.27455  0.10268   
1 1 1 26 17 10 o 4.31654  0.069424  18.6345      0.599344 18.9583      0.847086 18.3099      0.848114 4.35366  0.0972844 4.27854  0.0991125 
1 1 1 26 17 11 o 17.5131  0.123101  306.819      4.31178  308.006      6.11884  305.649      6.07694  17.5438  0.174388  17.4765  0.17386   
1 1 1 26 17 12 o 4.12866  0.08088   17.0487      0.667852 17.3949      0.958508 16.722       0.93106  4.17     0.114929  4.08858  0.113861  
1 1 1 26 17 13 o 11.982   0.0936327 143.603      2.24381  143.023      3.25128  144.13       3.10054  11.9561  0.135967  12.0026  0.129161  
1 1 1 26 17 14 o 18.3627  0.137458  337.384      5.04818  341.915      7.32905  333.295      6.96338  18.4797  0.1983    18.2461  0.190818  
1 1 1 26 17 15 o 3.3527   0.110221  11.2455      0.739075 11.1524      0.990077 11.3625      1.11071  3.33821  0.148295  3.3692   0.164834  
1 1 1 26 17 16 o 14.8323  0.110758  220.116      3.28561  220.727      4.60175  219.48       4.69269  14.849   0.154951  14.8067  0.158465  
1 1 1 26 17 17 o 7.78176  0.0825644 60.5766      1.28499  60.2604      1.86487  60.8624      1.77311  7.75995  0.12016   7.7989   0.113677  
1 1 1 26 17 18 o 4.04304  0.104498  16.3565      0.844983 16.8466      1.21663  15.8999      1.17446  4.10184  0.148303  3.98496  0.147362  
1 1 1 26 17 19 o 7.52853  0.0836836 56.7055      1.26003  55.3003      1.76983  58.1498      1.79432  7.43283  0.119055  7.62201  0.117707  
1 1 1 26 17 20 o 6.40285  0.085992  41.0209      1.10119  43.0171      1.56919  39.0841      1.5457   6.55492  0.119696  6.24783  0.123699  
1 1 1 26 17 21 o 4.46606  0.0929903 19.9635      0.830601 20.7738      1.18858  19.1901      1.16119  4.55387  0.130502  4.37672  0.132656  
1 1 1 26 17 22 o 3.95078  0.103214  15.6279      0.815548 16.4757      1.13386  14.7191      1.1739   4.05443  0.139829  3.83133  0.153198  
1 1 1 26 17 23 o 2.65408  0.132655  7.06126      0.704156 7.77231      0.973136 6.2798       1.02018  2.78202  0.174898  2.49877  0.204137  
1 1 1 26 17 24 o 1.9762   0.178079  3.92488      0.703841 2.63692      0.979544 5.29964      1.01201  1.58351  0.320491  2.29322  0.220653  
1 1 1 26 17 25 o 0.781921 0.305208  0.385082     0.689629 0.363701     0.931641 0.410998     1.0257   0.867025 0.349291  0.911179 0.366738  
1 1 1 26 17 26 o 3.42771  0.115083  11.7818      0.788942 10.9761      1.06695  12.7538      1.17189  3.30407  0.16146   3.56122  0.164535  
1 1 1 26 17 27 o 3.4691   0.119524  12.0771      0.829281 11.3376      1.13354  12.9288      1.2164   3.35535  0.168916  3.58296  0.169748  
1 1 1 26 17 28 o 1.89659  0.204673  3.64092      0.776361 3.86463      1.10282  3.42113      1.09312  1.94338  0.283738  1.82613  0.2993    
1 1 1 26 17 29 o 2.73099  0.1467    7.51198      0.801272 7.95008      1.15545  7.10611      1.11213  2.79949  0.206367  2.64603  0.210151  
1 1 1 26 17 30 f 1.80006  0.23879   3.30616      0.859669 3.7421       1.26739  2.93468      1.16995  1.86595  0.352472  1.64398  0.365415  
1 1 1 26 17 31 o 2.74731  0.164106  7.62933      0.901701 7.91909      1.30887  7.3676       1.24399  2.78307  0.235149  2.68529  0.231632  
1 1 1 26 17 32 o 2.95299  0.147483  8.81588      0.871033 9.49553      1.20555  8.07356      1.2599   3.05165  0.197524  2.80602  0.224501  
1 1 1 26 17 33 o 2.99416  0.168936  9.11365      1.01164  7.94239      1.32772  10.7347      1.56201  2.77231  0.239462  3.22172  0.242419  
1 1 1 26 17 34 o 2.36183  0.189819  5.70996      0.896643 6.69315      1.2363   4.61888      1.30237  2.53803  0.243555  2.0832   0.312588  
1 1 1 26 17 35 o 2.08218  0.233077  4.51335      0.970615 3.91725      1.29281  5.28343      1.4694   1.86653  0.359127  2.20807  0.332735  
1 1 1 26 17 36 o 1.88056  0.245676  3.72322      0.924015 3.16971      1.28216  4.32133      1.33282  1.64363  0.39447   1.95278  0.354314  
1 1 1 26 17 37 o 1.00472  0.362466  1.06666      0.934773 1.87414      1.32925  0.276616     1.31481  1.25194  0.434112  0.910304 0.393635  
1 1 1 26 17 38 o 1.08664  0.362104  1.3803       0.922538 1.56841      1.25138  1.15636      1.3654   1.15187  0.419002  1.06827  0.425805  
1 1 1 26 17 39 o 1.26751  0.364492  2.01699      0.973548 2.44318      1.31908  1.50709      1.44284  1.34307  0.432678  1.11451  0.439759  
1 1 1 26 17 40 o 1.48324  0.351313  2.79648      1.02744  3.80225      1.45955  1.80852      1.44657  1.63918  0.437073  1.14164  0.44277   
1 1 1 26 17 41 o 1.14436  0.401202  1.97993      1.13799  1.26713      1.62557  2.66499      1.59363  0.984719 0.431748  1.23029  0.467867  
1 1 1 26 17 42 o 1.17081  0.407291  2.30392      1.17087  4.16439      1.72838  0.725937     1.59177  1.42762  0.495016  0.864272 0.397768  
1 1 1 26 17 43 o 0.575948 0.283694  -1.12277     1.14488  -2.16017     1.71389  -0.286825    1.5385   0.625145 0.31383   0.712692 0.345476  
1 1 1 26 18 0  o 15.8001  0.160269  249.776      5.06336  249.776      5.06336  249.776      5.06336  15.8022  0.113299  ?        ?         
1 1 1 26 18 1  o 18.2147  0.123512  331.866      4.49945  328.439      6.29944  335.435      6.42892  18.118   0.173845  18.3098  0.175559  
1 1 1 26 18 2  o 6.60703  0.0658253 43.6563      0.869819 42.6742      1.20678  44.7181      1.25485  6.53204  0.0923738 6.68662  0.0938327 
1 1 1 26 18 3  f 21.9172  0.15202   480.569      6.66372  475.158      9.43794  485.947      9.40998  21.7886  0.21658   22.0348  0.213525  
1 1 1 26 18 4  o 23.8984  0.167018  571.438      7.9829   570.198      11.2618  572.689      11.3175  23.866   0.235938  23.918   0.236589  
1 1 1 26 18 5  o 4.18899  0.0688867 17.5493      0.577131 17.8495      0.812586 17.2437      0.819836 4.22448  0.0961759 4.15214  0.0987245 
1 1 1 26 18 6  o 15.373   0.115182  236.392      3.54138  231.156      4.97115  241.788      5.04623  15.1996  0.163529  15.5453  0.162307  
1 1 1 26 18 7  o 7.23078  0.0741787 52.2902      1.07274  53.2713      1.57546  51.4421      1.46475  7.29783  0.107941  7.17153  0.102122  
1 1 1 26 18 8  o 26.9511  0.192532  726.94       10.3779  730.273      14.7358  723.66       14.6181  27.0019  0.272866  26.8796  0.271919  
1 1 1 26 18 9  o 12.0745  0.091993  145.821      2.22154  144.691      3.12153  146.981      3.16233  12.0265  0.129777  12.1213  0.130445  
1 1 1 26 18 10 o 19.2151  0.133469  369.373      5.12924  366.947      7.20941  371.859      7.29909  19.1479  0.188256  19.2755  0.189336  
1 1 1 26 18 11 o 7.00882  0.0752822 49.1306      1.05528  49.2085      1.53789  49.0612      1.4507   7.01381  0.109633  7.00341  0.103571  
1 1 1 26 18 12 o 3.99243  0.0869199 15.9428      0.694043 15.082       1.02694  16.6665      0.941643 3.88261  0.132249  4.08171  0.115349  
1 1 1 26 18 13 o 19.1333  0.138873  366.294      5.3142   369.648      7.4945   362.903      7.53651  19.2153  0.195014  19.0388  0.197925  
1 1 1 26 18 14 o 18.0392  0.13706   325.619      4.94492  327.656      7.03873  323.634      6.94848  18.0897  0.19455   17.9785  0.193244  
1 1 1 26 18 15 o 7.50987  0.0784588 56.4121      1.17843  55.3258      1.67371  57.4799      1.65949  7.43623  0.112538  7.57971  0.109469  
1 1 1 26 18 16 o 5.26094  0.0796583 27.6858      0.838156 27.6114      1.18159  27.7612      1.1891   5.25307  0.112467  5.2673   0.112876  
1 1 1 26 18 17 o 7.77666  0.0822959 60.4987      1.27997  61.9846      1.85056  59.1359      1.77229  7.87008  0.11757   7.68722  0.115275  
1 1 1 26 18 18 o 7.56373  0.0894581 57.2385      1.35327  56.0944      1.9626   58.2755      1.8685   7.48558  0.131092  7.63024  0.12244   
1 1 1 26 18 19 o 3.28064  0.109063  10.7719      0.715593 11.603       1.01996  9.9663       1.00422  3.4035   0.14984   3.15399  0.159199  
1 1 1 26 18 20 o 2.4662   0.149299  6.09433      0.736404 6.03126      0.993679 6.17117      1.09681  2.45133  0.202682  2.47872  0.221244  
1 1 1 26 18 21 o 3.2864   0.116727  10.8163      0.767224 10.145       1.0696   11.5278      1.10112  3.18027  0.168162  3.39045  0.162386  
1 1 1 26 18 22 o 9.00515  0.0854715 81.1665      1.53937  82.4912      2.20456  79.9061      2.15043  9.07411  0.121476  8.93094  0.120392  
1 1 1 26 18 23 o 4.6366   0.0891301 21.5228      0.826522 21.0114      1.14072  22.0879      1.19923  4.57865  0.12457   4.6942   0.127735  
1 1 1 26 18 24 o 2.34236  0.149987  5.50747      0.702649 6.13861      0.981517 4.84401      1.00634  2.46935  0.19874   2.19111  0.229642  
1 1 1 26 18 25 o 1.87338  0.186087  3.53351      0.697221 4.69799      0.970018 2.2889       1.00284  2.15678  0.224877  1.46699  0.346838  
1 1 1 26 18 26 o 1.76483  0.201221  3.14247      0.710242 4.18708      0.975486 1.96396      1.03612  2.03343  0.239862  1.35863  0.37098   
1 1 1 26 18 27 o 2.19658  0.170739  4.86222      0.750082 5.46252      1.02736  4.17692      1.09768  2.3223   0.221194  2.02426  0.271131  
1 1 1 26 18 28 o 2.42861  0.158105  5.9429       0.767952 5.12831      1.0759   6.78895      1.09649  2.24512  0.239609  2.58801  0.21184   
1 1 1 26 18 29 o 0.810793 0.32378   0.37432      0.790814 1.04347      1.09734  -0.348739    1.14068  1.07771  0.392333  0.796425 0.354257  
1 1 1 26 18 30 o 2.51527  0.170579  6.39585      0.858106 5.53342      1.27037  7.11955      1.16372  2.31966  0.273827  2.64415  0.220056  
1 1 1 26 18 31 o 2.83629  0.153984  8.1264       0.873487 8.11778      1.26807  8.13418      1.20494  2.81853  0.224953  2.82443  0.213307  
1 1 1 26 18 32 o 1.44792  0.301788  2.26913      0.845212 3.30651      1.13074  0.955611     1.27237  1.74266  0.336439  1.07871  0.415897  
1 1 1 26 18 33 o 2.63958  0.181639  7.10445      0.9589   7.57238      1.2838   6.51395      1.44216  2.70667  0.237154  2.49061  0.289519  
1 1 1 26 18 34 o 1.18951  0.342565  1.57246      0.859313 1.66748      1.18497  1.46706      1.24798  1.23111  0.410388  1.183    0.419601  
1 1 1 26 18 35 o 1.52886  0.33916   2.62582      1.00969  2.31752      1.35252  3.01392      1.51751  1.40671  0.436003  1.5863   0.454709  
1 1 1 26 18 36 o 0.909905 0.349265  0.719717     0.894896 0.740222     1.21383  0.695299     1.32456  0.988246 0.39846   1.00369  0.411983  
1 1 1 26 18 37 o 1.31968  0.350171  2.05569      0.939709 1.83169      1.28313  2.31481      1.38006  1.23238  0.426593  1.3573   0.442884  
1 1 1 26 18 38 o 2.58757  0.181079  6.98596      0.937107 6.31942      1.30298  7.70015      1.34875  2.39906  0.27156   2.66381  0.253161  
1 1 1 26 18 39 o 1.45603  0.337695  2.59864      0.965124 2.85128      1.36756  2.34796      1.36224  1.43278  0.437281  1.29946  0.440016  
1 1 1 26 18 40 o 0.530563 0.260937  -1.52187     0.9559   -0.905868    1.39624  -2.06532     1.31144  0.725014 0.346248  0.606228 0.298909  
1 1 1 26 18 41 o 0.919716 0.386017  1.07537      1.20043  1.6155       1.73444  0.578735     1.66314  1.02302  0.447274  0.887909 0.40778   
1 1 1 26 18 42 o 0.666307 0.313647  -0.178063    1.09043  -2.33902     1.57004  1.83563      1.5156   0.6057   0.30285   0.980854 0.423363  
1 1 1 26 18 43 o 0.615892 0.296861  -0.502684    1.0874   -1.24967     1.6001   0.138345     1.48228  0.653621 0.324167  0.740479 0.354379  
1 1 1 26 19 0  o 2.82557  0.11394   8.02375      0.641511 8.02375      0.641511 8.02375      0.641511 2.82912  0.0803156 ?        ?         
1 1 1 26 19 1  o 9.83399  0.0752926 96.718       1.48085  96.2075      2.07887  97.244       2.10996  9.80746  0.105984  9.86013  0.106995  
1 1 1 26 19 2  o 8.64626  0.072589  74.7656      1.25525  72.9912      1.66292  77.1156      1.91376  8.54268  0.0973302 8.78051  0.108978  
1 1 1 26 19 3  o 13.4906  0.0978413 182.032      2.63988  182.633      3.78823  181.466      3.6808   13.5115  0.140186  13.4684  0.136646  
1 1 1 26 19 4  o 12.6873  0.09444   160.998      2.39638  159.402      3.35856  162.653      3.42028  12.6232  0.133031  12.7512  0.134116  
1 1 1 26 19 5  o 11.3559  0.0910108 128.979      2.06702  129.728      3.01875  128.318      2.83621  11.3877  0.132544  11.3259  0.125209  
1 1 1 26 19 6  o 20.6167  0.148778  425.246      6.13462  419.915      8.57016  430.848      8.78515  20.4823  0.209209  20.747   0.211721  
1 1 1 26 19 7  o 12.6285  0.0983796 159.511      2.48477  159.571      3.56206  159.455      3.46782  12.6294  0.141023  12.625   0.13734   
1 1 1 26 19 8  o 8.17197  0.0759548 66.7895      1.2414   67.1132      1.79978  66.4958      1.71453  8.19117  0.109861  8.15349  0.105141  
1 1 1 26 19 9  o 21.2746  0.153842  452.861      6.54585  454.016      9.28127  451.717      9.23338  21.2957  0.217914  21.2418  0.21734   
1 1 1 26 19 10 f 12.0038  0.0922929 144.121      2.21572  142.914      3.19608  145.238      3.07447  11.952   0.133705  12.049   0.127582  
1 1 1 26 19 11 o 22.9765  0.165849  528.311      7.62124  535.621      10.919   521.367      10.6424  23.126   0.236077  22.8166  0.233217  
1 1 1 26 19 12 o 2.96889  0.102621  8.81702      0.609342 9.44061      0.86127  8.19206      0.86221  3.07167  0.140196  2.86122  0.150672  
1 1 1 26 19 13 o 16.056   0.120179  257.916      3.85918  257.987      5.471    257.845      5.44452  16.0545  0.170389  16.0501  0.16961   
1 1 1 26 19 14 o 12.8385  0.104781  164.895      2.69045  166.786      3.96928  163.288      3.65934  12.9088  0.153744  12.7734  0.14324   
1 1 1 26 19 15 o 9.25591  0.0823007 85.6979      1.52354  87.9623      2.13388  83.3433      2.17594  9.37606  0.113794  9.12631  0.119213  
1 1 1 26 19 16 o 9.2463   0.0849504 85.5259      1.57096  82.1414      2.21939  88.9242      2.22395  9.0597   0.122487  9.4266   0.117961  
1 1 1 26 19 17 o 9.34595  0.0896517 87.388       1.67576  87.1872      2.32843  87.6038      2.41363  9.33314  0.12474   9.35512  0.129001  
1 1 1 26 19 18 f 10.6875  0.0956258 114.293      2.044    116.126      2.89036  112.46       2.89096  10.7695  0.134191  10.598   0.136392  
1 1 1 26 19 19 o 6.82839  0.0794283 46.6505      1.08473  47.2323      1.53288  46.0668      1.53522  6.86911  0.111578  6.78373  0.113154  
1 1 1 26 19 20 o 8.54182  0.0897482 73.0226      1.53323  75.5282      2.16466  70.5         2.17198  8.68389  0.124636  8.38934  0.129449  
1 1 1 26 19 21 o 4.99862  0.0910097 25.0097      0.909846 25.4965      1.31318  24.5603      1.26179  5.04453  0.130158  4.95125  0.127422  
1 1 1 26 19 22 o 3.87785  0.0967438 15.0568      0.750316 13.9261      1.03033  16.3334      1.09481  3.72696  0.138227  4.03645  0.135616  
1 1 1 26 19 23 o 6.2819   0.0845731 39.5054      1.06256  39.9992      1.55205  39.0697      1.45775  6.31713  0.122844  6.24401  0.116732  
1 1 1 26 19 24 o 1.25638  0.271104  1.66056      0.661828 1.81058      0.898968 1.48301      0.977944 1.3077   0.340441  1.20165  0.370401  
1 1 1 26 19 25 o 1.20688  0.28192   1.53835      0.668859 1.34234      0.903981 1.77548      0.99427  1.14516  0.356753  1.29685  0.366892  
1 1 1 26 19 26 o 3.26242  0.117523  10.6779      0.766816 10.1093      1.05377  11.3179      1.11796  3.16926  0.166248  3.3533   0.166696  
1 1 1 26 19 27 o 2.45698  0.157699  6.07889      0.774928 6.8188       1.0923   5.32911      1.09956  2.59534  0.210435  2.2902   0.240059  
1 1 1 26 19 28 o 0.495893 0.239274  -1.08404     0.711028 -1.27482     0.976552 -0.86879     1.03728  0.602604 0.288213  0.679429 0.315903  
1 1 1 26 19 29 o 0.912618 0.340339  0.685694     0.832666 0.667509     1.14611  0.706023     1.21177  0.995479 0.39221   1.02208  0.403099  
1 1 1 26 19 30 o 3.02826  0.148974  9.25081      0.902261 7.19836      1.26264  11.3924      1.28978  2.65342  0.237926  3.3508   0.192458  
1 1 1 26 19 31 o 4.04452  0.117522  16.4674      0.950642 17.2058      1.36996  15.7817      1.32024  4.1207   0.166229  3.94615  0.167282  
1 1 1 26 19 32 o 0.947212 0.343977  0.825868     0.843056 1.86088      1.17202  -0.283853    1.21359  1.29907  0.40652   0.822433 0.365627  
1 1 1 26 19 33 o 1.8251   0.248275  3.45754      0.906256 2.6659       1.20643  4.48275      1.37293  1.53259  0.392     2.04688  0.335371  
1 1 1 26 19 34 o 0.679549 0.307516  -0.36529     0.894731 -0.35943     1.18041  -0.373205    1.37172  0.789596 0.35548   0.850702 0.383086  
1 1 1 26 19 35 f 2.57143  0.196145  6.81047      1.00875  6.93399      1.39764  6.67617      1.4574   2.55991  0.272986  2.50241  0.291199  
1 1 1 26 19 36 o 2.17457  0.216471  4.93568      0.941461 5.40585      1.28573  4.39219      1.38237  2.24056  0.286923  1.95457  0.367141  
1 1 1 26 19 37 o 2.38764  0.200978  5.97724      0.959727 6.89919      1.29626  4.85873      1.42777  2.52919  0.25626   2.02993  0.364958  
1 1 1 26 19 38 o 1.81359  0.252549  3.58327      0.916041 2.66849      1.28413  4.53109      1.30713  1.43441  0.420613  1.98284  0.329609  
1 1 1 26 19 39 f 0.866623 0.347577  0.725324     0.91672  0.124286     1.29061  1.33735      1.30235  0.83125  0.373079  1.0493   0.416606  
1 1 1 26 19 40 o 0.727167 0.329929  -0.0300658   1.03658  -0.0934875   1.53823  0.0226935    1.40298  0.82985  0.385399  0.818151 0.375235  
1 1 1 26 19 41 o 0.877979 0.374117  0.891136     1.15651  -0.094664    1.66244  1.81563      1.60992  0.814043 0.384381  1.04929  0.444023  
1 1 1 26 19 42 o 0.605917 0.291814  -0.582728    1.04545  -1.56902     1.48543  0.385317     1.47163  0.625201 0.310426  0.77824  0.365762  
1 1 1 26 19 43 o 0.792893 0.348903  0.928525     1.06948  0.0374112    1.5772   1.68703      1.45512  0.724667 0.350902  0.896692 0.399451  
1 1 1 26 20 0  o 4.75488  0.0892319 22.6346      0.8479   22.6346      0.8479   22.6346      0.8479   4.75623  0.0630534 ?        ?         
1 1 1 26 20 1  o 25.9217  0.173431  672.353      8.99124  669.342      12.6599  675.418      12.7719  25.8556  0.244819  25.9726  0.245873  
1 1 1 26 20 2  o 16.4443  0.114882  270.489      3.7783   270.895      5.2302   270.045      5.46412  16.4546  0.158928  16.4283  0.166302  
1 1 1 26 20 3  o 10.4832  0.0816414 109.912      1.71172  109.977      2.48038  109.854      2.36521  10.4854  0.118277  10.4797  0.112847  
1 1 1 26 20 4  o 19.3874  0.137319  376.021      5.3245   375.574      7.51754  376.47       7.54248  19.372   0.194031  19.3951  0.194443  
1 1 1 26 20 5  o 7.59847  0.0709712 57.7429      1.07854  57.4516      1.53059  58.0302      1.52005  7.57885  0.100977  7.61694  0.0997812 
1 1 1 26 20 6  o 20.3858  0.145915  415.774      5.94921  412.256      8.43631  419.255      8.39079  20.2945  0.207847  20.4663  0.20499   
1 1 1 26 20 7  o 2.51394  0.108431  6.32155      0.545178 6.82376      0.782763 5.84843      0.759747 2.61157  0.149864  2.41768  0.157123  
1 1 1 26 20 8  o 3.43565  0.0847752 11.8057      0.582516 12.2008      0.802965 11.3668      0.846352 3.49241  0.114959  3.37084  0.12554   
1 1 1 26 20 9  o 12.1956  0.0990424 148.77       2.41577  157.041      3.60802  142.048      3.25241  12.5283  0.143995  11.9156  0.136477  
1 1 1 26 20 10 o 4.31195  0.0785363 18.596       0.67729  19.661       0.980466 17.624       0.936698 4.43334  0.110579  4.19739  0.111581  
1 1 1 26 20 11 o 3.65614  0.083045  13.37        0.607248 12.7988      0.85713  13.9457      0.860436 3.57679  0.119818  3.73367  0.115227  
1 1 1 26 20 12 o 9.68485  0.0826265 93.8164      1.60045  96.7083      2.30033  91.1032      2.22816  9.83191  0.116983  9.54275  0.116746  
1 1 1 26 20 13 o 15.165   0.117798  230.093      3.5728   235.786      5.17415  224.904      4.93943  15.3474  0.168568  14.9894  0.164764  
1 1 1 26 20 14 o 14.566   0.11053   212.279      3.21995  212.802      4.62062  211.786      4.4896   14.5798  0.15846   14.5453  0.154331  
1 1 1 26 20 15 o 4.26082  0.0854861 18.161       0.728481 18.4586      1.03718  17.8713      1.02342  4.29481  0.120748  4.22593  0.121088  
1 1 1 26 20 16 o 18.5147  0.134397  343.141      4.97664  342.29       7.04088  343.991      7.03519  18.4824  0.190475  18.5284  0.189848  
1 1 1 26 20 17 o 7.17676  0.0827681 51.5282      1.18801  51.3025      1.68953  51.749       1.67084  7.15938  0.117994  7.19057  0.116183  
1 1 1 26 20 18 o 4.148    0.0932777 17.2169      0.773831 16.7114      1.09526  17.7208      1.09347  4.08522  0.134051  4.20695  0.12996   
1 1 1 26 20 19 o 6.40619  0.0816522 41.0639      1.04616  40.6294      1.45138  41.5339      1.5093   6.37038  0.113916  6.44069  0.117169  
1 1 1 26 20 20 o 3.78632  0.113102  14.356       0.856485 14.9665      1.2024   13.7271      1.2203   3.86365  0.155605  3.69962  0.164922  
1 1 1 26 20 21 o 5.6682   0.0853723 32.1572      0.967814 34.0586      1.4639   30.6808      1.28993  5.83033  0.125542  5.5344   0.116538  
1 1 1 26 20 22 o 1.17174  0.281339  1.44388      0.65197  0.927581     0.920496 1.96363      0.923561 1.01979  0.360501  1.36341  0.339574  
1 1 1 26 20 23 o 2.36262  0.151014  5.60284      0.713575 5.15132      1.02203  6.03229      0.996737 2.26011  0.226102  2.44769  0.203608  
1 1 1 26 20 24 o 4.81371  0.0886443 23.2066      0.853416 22.9564      1.18425  23.4769      1.23093  4.78428  0.123765  4.83781  0.127219  
1 1 1 26 20 25 o 5.43929  0.0867338 29.6333      0.943542 29.1019      1.297    30.2308      1.37517  5.38637  0.120397  5.48916  0.125262  
1 1 1 26 20 26 o 2.37434  0.15654   5.6723       0.74336  7.04815      1.03152  4.18579      1.0722   2.64223  0.195199  2.02821  0.264321  
1 1 1 26 20 27 o 3.4329   0.116861  11.832       0.802346 11.3174      1.15172  12.3171      1.11839  3.34976  0.171911  3.49658  0.159927  
1 1 1 26 20 28 o 3.67029  0.1126    13.5284      0.826551 14.3761      1.17664  12.7026      1.16135  3.77605  0.155803  3.54797  0.163663  
1 1 1 26 20 29 o 3.47217  0.134522  12.1339      0.934168 12.9719      1.30412  11.2507      1.33879  3.58028  0.182125  3.33     0.201019  
1 1 1 26 20 30 o 5.42227  0.104669  29.5301      1.13509  28.9126      1.62431  30.1194      1.58686  5.3522   0.151742  5.46488  0.145187  
1 1 1 26 20 31 o 0.955376 0.333986  0.882338     0.788146 1.65818      1.10452  0.0775082    1.12497  1.24068  0.395551  0.856588 0.367113  
1 1 1 26 20 32 o 0.716295 0.315535  -0.152058    0.876612 1.51282      1.18661  -2.15236     1.30066  1.19937  0.410672  0.641764 0.312816  
1 1 1 26 20 33 o 1.3678   0.317743  2.06325      0.853365 1.6515       1.16309  2.54337      1.25593  1.22929  0.406581  1.48965  0.409188  
1 1 1 26 20 34 o 1.57478  0.300199  2.71861      0.911537 3.4678       1.23842  1.83286      1.34657  1.7503   0.365671  1.27954  0.437478  
1 1 1 26 20 35 o 2.44789  0.198726  6.19181      0.972918 4.53075      1.30268  8.28713      1.46308  2.04298  0.318818  2.79943  0.261317  
1 1 1 26 20 36 o 1.79555  0.264025  3.45362      0.948143 2.43832      1.30362  4.59388      1.38152  1.41246  0.426114  1.99628  0.359099  
1 1 1 26 20 37 o 1.32608  0.345842  2.08961      0.926664 1.63767      1.24113  2.6589       1.39298  1.17208  0.418173  1.43645  0.441923  
1 1 1 26 20 38 o 0.741159 0.326586  0.0468942    0.940016 0.66401      1.30907  -0.61006     1.35067  0.94477  0.400123  0.769446 0.358805  
1 1 1 26 20 39 o 0.727039 0.323362  0.0350958    0.950181 -0.476274    1.31109  0.60081      1.379    0.755589 0.352795  0.918462 0.400212  
1 1 1 26 20 40 o 0.559216 0.273504  -1.36778     1.02144  0.202316     1.47876  -2.80051     1.41259  0.842661 0.385957  0.578545 0.289272  
1 1 1 26 20 41 o 0.638223 0.305042  -0.643663    1.0892   0.108976     1.64195  -1.23512     1.45556  0.824276 0.387111  0.674331 0.32909   
1 1 1 26 20 42 o 0.619716 0.29721   -0.422938    1.05654  -0.522613    1.54258  -0.334861    1.45006  0.696613 0.339752  0.698179 0.337795  
1 1 1 26 20 43 o 0.81002  0.356696  1.24676      1.11943  0.145364     1.56226  2.40899      1.60482  0.696136 0.339951  0.915274 0.41314   
1 1 1 26 21 0  o 6.22986  0.0921519 38.8401      1.14762  38.8401      1.14762  38.8401      1.14762  6.23102  0.0651329 ?        ?         
1 1 1 26 21 1  o 12.9002  0.0944052 166.447      2.43569  164.615      3.44596  168.276      3.44322  12.8277  0.134317  12.9697  0.132741  
1 1 1 26 21 2  o 2.6354   0.0871559 6.94648      0.459382 6.75977      0.637167 7.14858      0.662926 2.59954  0.122554  2.67324  0.123993  
1 1 1 26 21 3  o 9.71795  0.0777889 94.4508      1.5119   92.1054      2.09     97.0255      2.18978  9.59592  0.108901  9.84883  0.111169  
1 1 1 26 21 4  o 14.3908  0.10517   207.145      3.02696  204.388      4.22725  210.045      4.33636  14.293   0.147878  14.4894  0.149639  
1 1 1 26 21 5  o 12.2752  0.0955519 150.711      2.34583  151.774      3.29509  149.618      3.34039  12.3172  0.13376   12.2293  0.136573  
1 1 1 26 21 6  o 5.0454   0.0718019 25.4591      0.724539 24.7833      0.989304 26.2409      1.06408  4.97771  0.0993734 5.12195  0.103875  
1 1 1 26 21 7  o 14.2427  0.112701  202.915      3.21033  202.521      4.51803  203.318      4.56247  14.2266  0.158788  14.2545  0.160036  
1 1 1 26 21 8  o 4.02031  0.0841047 16.1658      0.676254 16.0571      0.861999 16.3398      1.09055  4.00653  0.107574  4.04131  0.134925  
1 1 1 26 21 9  o 6.38955  0.0778167 40.8331      0.994428 40.1725      1.36802  41.5732      1.44806  6.33717  0.107936  6.44662  0.112311  
1 1 1 26 21 10 o 6.6456   0.0760077 44.1714      1.01023  43.9545      1.41736  44.3953      1.44029  6.62872  0.10691   6.66184  0.1081    
1 1 1 26 21 11 o 3.81112  0.0777705 14.5274      0.592786 14.5137      0.852979 14.5402      0.824402 3.80894  0.111971  3.81246  0.108119  
1 1 1 26 21 12 o 4.04879  0.0822971 16.3966      0.666407 16.9194      0.970077 15.9294      0.91704  4.1123   0.117948  3.99023  0.114911  
1 1 1 26 21 13 o 10.6177  0.0903344 112.773      1.91828  112.713      2.71944  112.832      2.70633  10.613   0.128118  10.6186  0.127433  
1 1 1 26 21 14 o 6.87256  0.074772  47.2445      1.02775  46.8666      1.40479  47.6798      1.50756  6.84421  0.102626  6.9031   0.109194  
1 1 1 26 21 15 o 5.17884  0.0832647 26.8304      0.86243  27.4108      1.27031  26.3341      1.17462  5.23348  0.121364  5.12988  0.114488  
1 1 1 26 21 16 o 8.09267  0.0817888 65.5178      1.32378  63.4619      1.86375  67.6111      1.88058  7.96299  0.117026  8.21933  0.1144    
1 1 1 26 21 17 o 12.3741  0.101083  153.227      2.50162  153.303      3.56914  153.153      3.50732  12.3725  0.144236  12.3668  0.141804  
1 1 1 26 21 18 o 2.7135   0.125711  7.37259      0.682233 7.38608      0.968921 7.35932      0.960776 2.71416  0.178493  2.70929  0.177311  
1 1 1 26 21 19 o 7.11184  0.0835682 50.6146      1.18865  50.9894      1.64731  50.2073      1.71685  7.13586  0.115425  7.08042  0.121239  
1 1 1 26 21 20 o 3.89726  0.10581   15.2079      0.824741 15.6721      1.12596  14.6706      1.21145  3.95424  0.142374  3.82475  0.158369  
1 1 1 26 21 21 o 1.41645  0.233303  2.02094      0.660925 2.34816      0.943512 1.70569      0.926108 1.49324  0.324983  1.27565  0.351803  
1 1 1 26 21 22 o 7.46581  0.0820858 55.7949      1.22567  56.3963      1.7699   55.2406      1.699    7.5018   0.117965  7.425    0.114411  
1 1 1 26 21 23 o 4.87446  0.0884391 23.7932      0.862186 23.1291      1.20072  24.5001      1.2388   4.80261  0.125007  4.94287  0.125312  
1 1 1 26 21 24 o 5.01232  0.0900877 25.1645      0.903097 24.8957      1.28551  25.4264      1.26899  4.98124  0.129035  5.03444  0.126031  
1 1 1 26 21 25 o 2.92369  0.123598  8.5776       0.722722 8.7298       1.00609  8.41532      1.03886  2.94492  0.170819  2.89037  0.179711  
1 1 1 26 21 26 o 2.2945   0.166293  5.30438      0.76312  4.89964      1.07582  5.71427      1.08264  2.1958   0.244972  2.37385  0.228035  
1 1 1 26 21 27 o 2.4487   0.155985  6.0409       0.76392  6.62464      1.12013  5.53331      1.04452  2.55503  0.219201  2.3344   0.223725  
1 1 1 26 21 28 o 4.57551  0.107544  21.0222      0.984139 19.5532      1.37364  22.5714      1.41067  4.40262  0.156002  4.73202  0.149056  
1 1 1 26 21 29 o 4.19523  0.114134  17.6865      0.957638 18.6522      1.39246  16.8199      1.31913  4.29748  0.162008  4.08104  0.161616  
1 1 1 26 21 30 o 2.52609  0.167535  6.45754      0.846416 5.81966      1.22712  7.03645      1.16902  2.37863  0.257946  2.62481  0.222687  
1 1 1 26 21 31 o 2.54789  0.173272  6.59217      0.882956 5.6604       1.19705  7.70406      1.30764  2.33996  0.255784  2.73557  0.239008  
1 1 1 26 21 32 o 0.781521 0.333102  0.0969227    0.917255 -0.0051733   1.27149  0.207715     1.32453  0.884581 0.384864  0.93701  0.399855  
1 1 1 26 21 33 o 0.779694 0.329281  0.164837     0.88248  -0.669338    1.18809  1.19147      1.31803  0.751471 0.344925  1.12743  0.426443  
1 1 1 26 21 34 o 0.934947 0.35694   0.754526     0.93053  1.12321      1.2896   0.354071     1.34402  1.09808  0.419917  0.954877 0.404967  
1 1 1 26 21 35 o 2.56418  0.190773  6.78511      0.978356 7.14605      1.35115  6.38728      1.41851  2.59726  0.260111  2.43846  0.290862  
1 1 1 26 21 36 o 0.742381 0.323198  0.0439495    0.897734 -0.00045517  1.28724  0.0859993    1.25264  0.856891 0.379279  0.861115 0.378268  
1 1 1 26 21 37 o 0.559089 0.270465  -1.26403     0.928483 -2.19328     1.31114  -0.32926     1.31502  0.619063 0.304828  0.806446 0.367435  
1 1 1 26 21 38 o 1.23164  0.365352  1.9047       0.963811 2.57314      1.37744  1.26351      1.34907  1.36854  0.442272  1.05706  0.422608  
1 1 1 26 21 39 o 1.05871  0.363371  1.4316       0.92929  -0.0105419   1.32763  2.81689      1.3012   0.815066 0.37078   1.41178  0.425679  
1 1 1 26 21 40 o 0.668731 0.312032  -0.318571    1.02346  1.65731      1.51024  -1.99668     1.39179  1.04636  0.435695  0.61645  0.304902  
1 1 1 26 21 41 o 1.22788  0.401336  2.43366      1.13327  -0.0390911   1.73093  4.28886      1.49929  0.808049 0.385812  1.58487  0.451228  
1 1 1 26 21 42 o 0.572275 0.279092  -0.845707    1.0403   -0.436074    1.44364  -1.2882      1.50043  0.686601 0.333399  0.635578 0.314899  
1 1 1 26 22 0  o 26.2886  0.254687  691.778      13.3879  691.778      13.3879  691.778      13.3879  26.2951  0.180027  ?        ?         
1 1 1 26 22 1  f 13.7789  0.0999484 189.9        2.75436  186.418      3.78089  193.838      4.02066  13.6506  0.138488  13.9194  0.144427  
1 1 1 26 22 2  o 18.6686  0.12828   348.644      4.78963  347.036      6.81149  350.216      6.73624  18.6219  0.182889  18.7073  0.180043  
1 1 1 26 22 3  o 23.1832  0.157431  537.763      7.29954  536.387      10.4101  539.093      10.2383  23.1467  0.224872  23.2055  0.2206    
1 1 1 26 22 4  o 9.9591   0.0817311 99.199       1.62794  100.492      2.35428  98.014       2.25353  10.023   0.117444  9.89871  0.113829  
1 1 1 26 22 5  o 4.22167  0.0776954 17.8251      0.656009 17.8141      0.881794 17.8387      0.9817   4.22012  0.104475  4.2229   0.116235  
1 1 1 26 22 6  o 6.43465  0.0821624 41.4116      1.05737  43.3803      1.52097  39.5702      1.47098  6.58527  0.115483  6.28941  0.116941  
1 1 1 26 22 7  o 14.1987  0.11975   201.677      3.40058  204.124      4.85628  199.324      4.76336  14.2818  0.170017  14.1129  0.168759  
1 1 1 26 22 8  o 12.5437  0.104282  157.391      2.61617  156.385      3.73102  158.365      3.66939  12.5016  0.149222  12.5806  0.145835  
1 1 1 26 22 9  o 9.33695  0.082154  87.1958      1.53413  89.6891      2.19125  84.7986      2.14856  9.46858  0.115712  9.20678  0.116684  
1 1 1 26 22 10 o 7.50328  0.0758346 56.3094      1.13802  56.4805      1.6034   56.1357      1.61547  7.51401  0.106694  7.49101  0.107827  
1 1 1 26 22 11 o 11.3345  0.0925287 128.509      2.09753  130.46       3.03839  126.732      2.89921  11.4184  0.133048  11.2543  0.128805  
1 1 1 26 22 12 o 20.8472  0.14994   434.999      6.25168  443.68       9.10037  427.241      8.60301  21.0438  0.216225  20.6516  0.208289  
1 1 1 26 22 13 o 4.81658  0.0769348 23.2057      0.741125 22.1791      1.05383  24.2103      1.04248  4.7081   0.111917  4.91911  0.105962  
1 1 1 26 22 14 o 6.40226  0.0748346 41.0008      0.958221 42.2318      1.38006  39.8549      1.3315   6.49671  0.106212  6.31126  0.105486  
1 1 1 26 22 15 o 11.0205  0.0902686 121.51       1.98961  120.557      2.85226  122.413      2.77674  10.9744  0.12995   11.059   0.125542  
1 1 1 26 22 16 o 2.787    0.119206  7.77464      0.664452 8.87403      0.963414 6.77729      0.917613 2.97633  0.161846  2.60063  0.176421  
1 1 1 26 22 17 o 2.57943  0.129801  6.66199      0.669624 6.93023      0.962462 6.41034      0.932244 2.62914  0.183038  2.52855  0.184343  
1 1 1 26 22 18 o 4.33522  0.0884586 18.8078      0.766976 18.5191      1.08651  19.0946      1.08284  4.3002   0.126332  4.36662  0.12399   
1 1 1 26 22 19 o 7.64216  0.086694  58.4503      1.32506  59.7023      1.90353  57.2732      1.84565  7.72038  0.123279  7.56182  0.122037  
1 1 1 26 22 20 o 2.98165  0.118208  8.90551      0.704907 8.30571      0.995751 9.50806      0.99803  2.87665  0.173075  3.07852  0.162096  
1 1 1 26 22 21 o 12.3904  0.10324   153.755      2.55837  154.232      3.60935  153.273      3.62689  12.4003  0.145535  12.3614  0.146703  
1 1 1 26 22 22 o 3.20785  0.113755  10.3119      0.729817 10.6004      1.04487  10.0371      1.01982  3.24895  0.160801  3.16142  0.161292  
1 1 1 26 22 23 o 4.7837   0.0874669 22.9168      0.83683  23.4518      1.19257  22.3978      1.17455  4.83577  0.123307  4.72575  0.124272  
1 1 1 26 22 24 o 0.830573 0.303526  0.57304      0.657328 -0.281527    0.928586 1.43136      0.93062  0.728238 0.322261  1.17756  0.360994  
1 1 1 26 22 25 o 0.676047 0.286793  0.0316938    0.674367 0.177422     0.931711 -0.128651    0.977321 0.820875 0.342037  0.775744 0.337463  
1 1 1 26 22 26 f 4.82545  0.0968362 23.3475      0.934557 23.8553      1.31935  22.836       1.32399  4.87153  0.135415  4.76567  0.138909  
1 1 1 26 22 27 o 2.18254  0.172122  4.80895      0.751327 4.86318      1.07134  4.75647      1.05395  2.18389  0.245284  2.16002  0.243967  
1 1 1 26 22 28 o 3.23537  0.137842  10.539       0.891939 10.5177      1.27669  10.5594      1.24663  3.22027  0.198227  3.22781  0.193108  
1 1 1 26 22 29 o 2.50401  0.158713  6.33263      0.794836 6.71881      1.12803  5.95182      1.12015  2.5676   0.219666  2.41398  0.232013  
1 1 1 26 22 30 o 0.944938 0.333743  0.847429     0.788764 0.683164     1.11543  1.01172      1.11553  0.981835 0.386896  1.06303  0.394425  
1 1 1 26 22 31 o 0.920254 0.343938  0.728629     0.851292 1.47494      1.17893  -0.0844767   1.23055  1.1904   0.409208  0.860787 0.376539  
1 1 1 26 22 32 o 3.88659  0.134395  15.2728      1.04468  16.0849      1.4544   14.4074      1.50152  3.96965  0.18319   3.74955  0.200227  
1 1 1 26 22 33 o 3.01168  0.160939  9.23974      0.969396 7.91315      1.2858   10.9868      1.47558  2.75966  0.232963  3.25501  0.226663  
1 1 1 26 22 34 o 2.72828  0.178975  7.62694      0.976588 8.23209      1.39776  7.04981      1.36503  2.80283  0.249349  2.58669  0.263856  
1 1 1 26 22 35 o 2.1737   0.21862   4.9276       0.950431 5.54663      1.30909  4.23759      1.38211  2.27183  0.288112  1.91877  0.373483  
1 1 1 26 22 36 o 0.85453  0.343803  0.556866     0.900917 -0.395226    1.2772   1.49973      1.271    0.793002 0.361525  1.14606  0.421745  
1 1 1 26 22 37 o 0.720706 0.316646  0.0155449    0.87808  0.10648      1.21745  -0.0830465   1.26766  0.839472 0.370558  0.823223 0.369605  
1 1 1 26 22 38 o 0.925991 0.358859  0.919535     0.949853 0.845708     1.34167  0.993721     1.34493  0.964574 0.406619  0.992508 0.412082  
1 1 1 26 22 39 o 0.753688 0.329127  0.234008     0.936843 -2.77179     1.33673  3.13566      1.31337  0.568159 0.283797  1.48542  0.422138  
1 1 1 26 22 40 o 0.738687 0.334566  0.14622      1.06131  0.44611      1.58481  -0.0976266   1.42908  0.864079 0.39735   0.779667 0.365253  
1 1 1 26 22 41 f 0.724724 0.329944  0.300695     1.05585  -0.93387     1.48087  1.57725      1.50584  0.67465  0.329811  0.943954 0.414698  
1 1 1 26 22 42 o 0.832664 0.361316  1.0461       1.11509  0.536286     1.59384  1.53487      1.56062  0.789744 0.374498  0.89888  0.406485  
1 1 1 26 23 0  o 11.567   0.118797  133.86       2.7476   133.86       2.7476   133.86       2.7476   11.5684  0.0839822 ?        ?         
1 1 1 26 23 1  o 1.54968  0.153599  2.40284      0.476058 1.37018      0.666816 3.47633      0.679869 1.14712  0.290263  1.86375  0.182393  
1 1 1 26 23 2  o 17.1104  0.118515  292.865      4.0557   294.926      5.70788  290.763      5.76377  17.1677  0.166239  17.0459  0.169066  
1 1 1 26 23 3  o 4.15532  0.0675712 17.2686      0.561559 17.4681      0.795245 17.0702      0.79309  4.17902  0.0951474 4.13115  0.0959891 
1 1 1 26 23 4  o 13.5394  0.102932  183.365      2.78729  181.681      3.90131  185.12       3.98363  13.4754  0.144757  13.6022  0.146434  
1 1 1 26 23 5  o 14.9099  0.124366  222.394      3.70857  223.137      5.25426  221.656      5.23521  14.9317  0.175943  14.8821  0.175889  
1 1 1 26 23 6  o 9.16509  0.0858365 84.0155      1.5734   83.8409      2.18627  84.2031      2.26612  9.1547   0.119407  9.17433  0.123503  
1 1 1 26 23 7  o 16.7362  0.1418    280.258      4.74638  280.35       6.71272  280.166      6.71207  16.7341  0.20057   16.7286  0.200616  
1 1 1 26 23 8  o 9.17834  0.0928797 84.2634      1.70496  88.1516      2.63662  81.4691      2.23517  9.38615  0.140453  9.02396  0.123846  
1 1 1 26 23 9  o 19.739   0.149687  389.904      5.90934  387.877      8.42691  391.865      8.28893  19.6803  0.214095  19.7818  0.209509  
1 1 1 26 23 10 o 2.92815  0.110845  8.57772      0.649141 8.32209      0.887465 8.87187      0.951975 2.8836   0.153881  2.97723  0.159876  
1 1 1 26 23 11 o 9.87499  0.0879564 97.5456      1.73714  100.427      2.58016  95.1568      2.34939  10.018   0.128777  9.75198  0.120457  
1 1 1 26 23 12 o 4.69439  0.0757069 22.043       0.710795 22.112       1.0247   21.979       0.986805 4.70106  0.108986  4.68699  0.105271  
1 1 1 26 23 13 o 11.882   0.103409  141.258      2.4574   141.875      3.53277  140.68       3.42053  11.9045  0.14838   11.8546  0.14427   
1 1 1 26 23 14 o 7.84543  0.0759696 61.571       1.19203  59.8267      1.67404  63.365       1.69777  7.73221  0.108251  7.95765  0.106675  
1 1 1 26 23 15 o 5.58291  0.0763642 31.1803      0.852669 31.1294      1.22673  31.228       1.18601  5.57721  0.109977  5.58618  0.106156  
1 1 1 26 23 16 o 4.61912  0.0835466 21.3471      0.771824 20.8628      1.09815  21.8198      1.08502  4.56516  0.120275  4.66885  0.116198  
1 1 1 26 23 17 o 5.62106  0.0817508 31.6145      0.919053 32.4438      1.35891  30.9154      1.24768  5.69245  0.119361  5.55714  0.112259  
1 1 1 26 23 18 o 7.10533  0.078862  50.5185      1.12068  49.6659      1.58004  51.3817      1.58977  7.04282  0.112174  7.16354  0.110962  
1 1 1 26 23 19 o 6.09382  0.0848453 37.1654      1.03407  38.3455      1.48259  36.0475      1.44299  6.18725  0.11981   5.99895  0.12027   
1 1 1 26 23 20 o 3.69829  0.100215  13.6959      0.741251 13.7542      1.04719  13.6374      1.04939  3.70367  0.141372  3.68785  0.142277  
1 1 1 26 23 21 o 6.38386  0.0849253 40.7979      1.0843   41.5841      1.52349  39.9909      1.54358  6.44171  0.118252  6.31666  0.122183  
1 1 1 26 23 22 o 4.17011  0.0910916 17.4152      0.759725 17.4956      1.07257  17.3343      1.07626  4.17669  0.1284    4.15729  0.129443  
1 1 1 26 23 23 o 0.780103 0.296879  0.438118     0.642042 0.0836802    0.903758 0.799265     0.91227  0.79094  0.33359   0.976705 0.357511  
1 1 1 26 23 24 o 3.30118  0.109755  10.9271      0.72464  10.76        1.01836  11.0984      1.03136  3.27147  0.155642  3.32255  0.155205  
1 1 1 26 23 25 o 1.24478  0.286827  1.6441       0.699878 2.47739      0.996806 0.833917     0.982893 1.52294  0.336266  1.00099  0.370469  
1 1 1 26 23 26 o 1.40645  0.271728  2.08604      0.737061 2.44334      1.04392  1.73088      1.04081  1.50665  0.35237   1.2774   0.379817  
1 1 1 26 23 27 o 2.37813  0.16368   5.70778      0.778505 5.9724       1.07984  5.42137      1.1234   2.42299  0.222832  2.30467  0.243722  
1 1 1 26 23 28 o 1.9685   0.200099  3.93125      0.78779  3.47909      1.12397  4.36788      1.10449  1.80627  0.322771  2.06306  0.267682  
1 1 1 26 23 29 o 1.1859   0.316573  1.51433      0.765145 2.0776       1.0955   0.977845     1.06914  1.37859  0.383541  1.05022  0.386776  
1 1 1 26 23 30 o 1.2905   0.317683  1.81619      0.815524 2.2121       1.14721  1.41172      1.15954  1.41037  0.392523  1.17541  0.405658  
1 1 1 26 23 31 o 1.16028  0.350399  1.46586      0.881203 1.59507      1.21486  1.32239      1.28011  1.22475  0.415533  1.16243  0.423693  
1 1 1 26 23 32 o 1.31991  0.341375  1.94012      0.907685 2.64678      1.26649  1.19379      1.30155  1.51951  0.408043  1.12824  0.424562  
1 1 1 26 23 33 o 1.49725  0.337367  2.51409      0.986037 3.31301      1.39694  1.7208       1.39201  1.68363  0.416593  1.25452  0.443336  
1 1 1 26 23 34 o 3.00351  0.1638    9.22092      0.983947 10.5343      1.39577  7.92344      1.38729  3.1832   0.21924   2.74349  0.252833  
1 1 1 26 23 35 o 0.736526 0.325028  -0.0829022   0.935803 1.01486      1.3294   -1.16115     1.31753  1.06038  0.420941  0.72351  0.341862  
1 1 1 26 23 36 o 1.05515  0.356578  1.27541      0.894597 1.22561      1.24293  1.32895      1.2886   1.07244  0.411627  1.10156  0.420188  
1 1 1 26 23 37 o 1.70919  0.277323  3.24609      0.947992 3.72822      1.28057  2.66151      1.41009  1.73691  0.37912   1.40775  0.446739  
1 1 1 26 23 38 o 1.10026  0.364017  1.54536      0.932309 0.912555     1.3228   2.16997      1.31421  0.965806 0.405281  1.24372  0.431612  
1 1 1 26 23 39 o 0.933968 0.373011  1.04181      1.0497   4.47045      1.60446  -1.52394     1.38796  1.70987  0.459322  0.658797 0.321482  
1 1 1 26 23 40 o 0.985817 0.37795   1.40043      1.0469   0.347553     1.54686  2.29029      1.42207  0.843891 0.389826  1.15527  0.441198  
1 1 1 26 23 41 o 0.931806 0.375288  1.46313      1.07507  0.233305     1.52068  2.692        1.52009  0.76783  0.364908  1.10796  0.446244  
1 1 1 26 23 42 o 0.904267 0.37649   1.52452      1.12749  2.34301      1.64439  0.798314     1.54892  0.969837 0.42905   0.792063 0.373127  
1 1 1 26 24 0  o 1.31202  0.319858  2.00104      0.726484 2.00104      0.726484 2.00104      0.726484 1.3727   0.199523  ?        ?         
1 1 1 26 24 1  o 12.8427  0.0917105 164.971      2.35562  163.377      3.30575  166.615      3.35756  12.7791  0.129342  12.9051  0.130086  
1 1 1 26 24 2  o 9.38428  0.0767086 88.0782      1.43971  88.909       2.0816   87.3163      1.99338  9.42765  0.110399  9.34293  0.106678  
1 1 1 26 24 3  o 9.56445  0.0788341 91.4938      1.50801  92.0717      2.07692  90.8493      2.19312  9.5939   0.108242  9.52981  0.115066  
1 1 1 26 24 4  o 19.2141  0.145346  369.393      5.58539  373.751      7.87648  364.985      7.92158  19.3217  0.203825  19.0934  0.207443  
1 1 1 26 24 5  o 15.502   0.134322  240.435      4.16452  233.981      5.84067  247.109      5.93961  15.2886  0.191014  15.7118  0.189018  
1 1 1 26 24 6  o 12.29    0.105815  151.094      2.60094  147.761      3.65912  154.498      3.69776  12.1517  0.150561  12.4257  0.148795  
1 1 1 26 24 7  o 7.05528  0.0839786 49.7877      1.18498  50.6241      1.69047  48.9796      1.66154  7.11353  0.118821  6.99703  0.118732  
1 1 1 26 24 8  o 17.102   0.135674  292.651      4.64058  287.1        6.5375   298.29       6.58835  16.9338  0.193031  17.2609  0.190846  
1 1 1 26 24 9  o 8.63422  0.101044  74.577       1.74487  76.6944      2.46354  72.4455      2.47172  8.75442  0.140702  8.50827  0.145254  
1 1 1 26 24 10 o 15.0994  0.125272  228.137      3.78309  228.52       5.28319  227.735      5.41961  15.1075  0.174853  15.081   0.179683  
1 1 1 26 24 11 o 1.59999  0.162131  2.56303      0.518817 3.36522      0.774748 1.9108       0.698585 1.83258  0.211382  1.3569   0.26693   
1 1 1 26 24 12 o 6.88779  0.0727268 47.4542      1.00185  49.7211      1.43999  45.3275      1.39476  7.04948  0.102135  6.73076  0.103611  
1 1 1 26 24 13 f 5.8216   0.0720392 33.9008      0.838767 34.6794      1.17269  33.0852      1.20018  5.88731  0.0995946 5.75024  0.104359  
1 1 1 26 24 14 o 15.1791  0.111598  230.582      3.3879   228.681      4.81521  232.445      4.76756  15.1103  0.159336  15.2345  0.156472  
1 1 1 26 24 15 o 8.46351  0.0786132 71.6619      1.33069  69.744       1.83124  73.8077      1.93696  8.34774  0.109685  8.58729  0.112781  
1 1 1 26 24 16 o 19.3179  0.14487   373.815      5.59717  370.541      7.60434  377.686      8.26849  19.2188  0.197836  19.3983  0.213125  
1 1 1 26 24 17 o 7.8726   0.0826524 62.0196      1.30138  63.4607      1.84033  60.5782      1.84053  7.96101  0.115584  7.77787  0.118318  
1 1 1 26 24 18 o 1.24201  0.253788  1.60983      0.608628 1.23248      0.842865 2.02095      0.879781 1.1058   0.344481  1.38634  0.322998  
1 1 1 26 24 19 o 6.98371  0.0830486 48.8146      1.15998  48.3575      1.65049  49.2607      1.6306   6.94778  0.118778  7.01262  0.116262  
1 1 1 26 24 20 o 1.25177  0.259065  1.64002      0.626639 0.95498      0.90344  2.27516      0.869913 1.024    0.357618  1.47168  0.305736  
1 1 1 26 24 21 o 4.32063  0.0935872 18.6945      0.808713 17.5384      1.1247   19.9322      1.16369  4.18167  0.134479  4.45832  0.130507  
1 1 1 26 24 22 o 2.53637  0.128629  6.4532       0.6525   7.07411      0.930592 5.85273      0.91515  2.65205  0.175448  2.41108  0.18978   
1 1 1 26 24 23 o 1.22788  0.267107  1.5888       0.637652 1.16803      0.901444 2.01019      0.90211  1.0873   0.35794   1.37522  0.331404  
1 1 1 26 24 24 o 5.32705  0.0868565 28.4288      0.925378 28.698       1.31995  28.1685      1.2977   5.34731  0.123422  5.29789  0.122473  
1 1 1 26 24 25 o 3.69991  0.110168  13.7362      0.815225 13.2656      1.1704   14.1797      1.13617  3.62902  0.161256  3.75359  0.151344  
1 1 1 26 24 26 o 4.77309  0.0980836 22.8517      0.936325 22.494       1.3536   23.1798      1.29656  4.72737  0.143167  4.8006   0.135042  
1 1 1 26 24 27 f 5.57194  0.0986992 31.1556      1.09989  31.4611      1.51812  30.818       1.59575  5.59036  0.13578   5.53056  0.144266  
1 1 1 26 24 28 o 1.42424  0.267221  2.14725      0.733101 0.542265     1.04052  3.72927      1.03305  0.934244 0.371922  1.90416  0.27126   
1 1 1 26 24 29 o 1.0631   0.326131  1.19345      0.759372 1.34371      1.07156  1.04185      1.07629  1.14946  0.390256  1.06598  0.388504  
1 1 1 26 24 30 o 0.667042 0.29734   -0.259942    0.807437 -0.670186    1.14155  0.150792     1.14223  0.740962 0.339264  0.874745 0.37224   
1 1 1 26 24 31 o 1.06854  0.350997  1.20122      0.866811 -0.0826156   1.19968  2.60357      1.25383  0.848293 0.371424  1.51356  0.405795  
1 1 1 26 24 32 o 0.973215 0.355001  0.895699     0.89883  0.904447     1.25529  0.886493     1.2876   1.04991  0.411373  1.05304  0.415453  
1 1 1 26 24 33 o 2.84681  0.177636  8.2984       1.01139  8.1535       1.48906  8.42249      1.37803  2.78069  0.267749  2.83932  0.242669  
1 1 1 26 24 34 o 1.42843  0.324215  2.30218      0.905247 2.17325      1.2686   2.43594      1.29215  1.35541  0.422695  1.42979  0.422775  
1 1 1 26 24 35 o 1.62547  0.298523  2.96187      0.934216 3.32237      1.3079   2.58635      1.33488  1.65848  0.398646  1.44409  0.430295  
1 1 1 26 24 36 o 1.12145  0.352071  1.48462      0.878148 0.718908     1.20626  2.34798      1.28087  0.953879 0.392618  1.35976  0.424871  
1 1 1 26 24 37 o 1.91925  0.250208  4.04092      0.960423 4.63532      1.33303  3.39931      1.38495  1.95589  0.35375   1.60128  0.425208  
1 1 1 26 24 38 o 1.30279  0.347547  2.15939      0.922577 1.90147      1.30926  2.41375      1.30023  1.1721   0.428365  1.30453  0.429884  
1 1 1 26 24 39 o 0.835289 0.353269  0.661143     1.01814  0.892008     1.44711  0.434842     1.43273  0.927894 0.407093  0.860591 0.389307  
1 1 1 26 24 40 o 1.41455  0.376168  2.91657      1.08293  3.17347      1.58649  2.69244      1.48184  1.29971  0.471879  1.21971  0.454189  
1 1 1 26 24 41 o 0.593238 0.285502  -0.527324    0.996278 0.249317     1.4082   -1.30563     1.4097   0.745206 0.352733  0.61931  0.306448  
1 1 1 26 24 42 o 0.733577 0.342783  0.740769     1.24074  0.720846     1.68289  0.764495     1.83651  0.742337 0.360307  0.749195 0.366494  
1 1 1 26 25 0  o 9.38556  0.119607  88.1492      2.24433  88.1492      2.24433  88.1492      2.24433  9.38717  0.0845447 ?        ?         
1 1 1 26 25 1  o 15.5228  0.112532  241.043      3.49363  241.747      4.94865  240.343      4.93287  15.5427  0.159195  15.4975  0.159151  
1 1 1 26 25 2  o 19.3975  0.133245  376.451      5.16922  377.203      7.39955  375.734      7.22437  19.4117  0.190595  19.3743  0.186442  
1 1 1 26 25 3  o 15.4613  0.11081   239.135      3.42653  239.231      4.79534  239.035      4.89798  15.4617  0.155071  15.4552  0.158458  
1 1 1 26 25 4  o 23.1903  0.175388  538.279      8.13464  533.185      11.4024  543.559      11.6086  23.07    0.247127  23.293   0.249186  
1 1 1 26 25 5  o 34.0664  0.278268  1163.26      18.9592  1161.85      26.7688  1164.67      26.8561  34.0056  0.393593  34.0465  0.394403  
1 1 1 26 25 6  o 5.94987  0.0811464 35.4083      0.965621 35.406       1.37256  35.4107      1.35873  5.94903  0.11536   5.94946  0.11419   
1 1 1 26 25 7  o 3.83633  0.103717  14.7228      0.795787 14.3011      1.12331  15.1477      1.12753  3.78026  0.148576  3.89062  0.144903  
1 1 1 26 25 8  o 13.288   0.118637  176.664      3.15291  175.069      4.42118  178.315      4.49759  13.2245  0.167159  13.3464  0.168495  
1 1 1 26 25 9  o 10.5024  0.105753  110.351      2.22131  112.181      3.28544  108.811      3.01479  10.5862  0.155176  10.4267  0.144571  
1 1 1 26 25 10 o 15.2051  0.141923  231.409      4.31593  226.432      5.98102  236.817      6.23415  15.0339  0.198917  15.3743  0.202746  
1 1 1 26 25 11 o 3.85784  0.0776925 14.8875      0.599451 17.3823      0.952407 13.2507      0.771418 4.16785  0.114256  3.63913  0.105989  
1 1 1 26 25 12 o 7.54536  0.0759991 56.9506      1.14688  56.0752      1.61271  57.8462      1.63132  7.48595  0.107716  7.60326  0.107278  
1 1 1 26 25 13 o 15.0589  0.108458  226.934      3.26652  224.324      4.63258  229.515      4.60663  14.9665  0.154765  15.139   0.152144  
1 1 1 26 25 14 o 4.43777  0.0776182 19.7019      0.688904 19.6638      0.967949 19.7409      0.98069  4.43257  0.109186  4.44121  0.110408  
1 1 1 26 25 15 o 11.7874  0.0955158 139.042      2.25177  139.605      3.2321   138.511      3.13892  11.8068  0.136875  11.7609  0.133448  
1 1 1 26 25 16 o 5.18462  0.0805328 26.8965      0.835065 26.2021      1.17947  27.5944      1.18246  5.11565  0.11528   5.24996  0.112616  
1 1 1 26 25 17 o 6.75315  0.0786543 45.6352      1.06233  45.1753      1.48799  46.1134      1.51715  6.71686  0.110765  6.78616  0.111783  
1 1 1 26 25 18 o 7.25979  0.0758492 52.7406      1.1013   52.4878      1.5592   52.9923      1.55575  7.23983  0.107682  7.27461  0.10693   
1 1 1 26 25 19 o 1.32988  0.252871  1.84198      0.648313 1.99277      0.933848 1.70169      0.900753 1.37375  0.34104   1.27289  0.345156  
1 1 1 26 25 20 o 3.23818  0.106046  10.5038      0.686791 11.0404      0.976571 9.9787       0.966053 3.31716  0.1472    3.15319  0.153187  
1 1 1 26 25 21 o 6.82274  0.0831726 46.6068      1.13493  45.6636      1.57853  47.616       1.63291  6.74928  0.116941  6.89184  0.118467  
1 1 1 26 25 22 o 3.32207  0.104195  11.0601      0.692287 11.3273      0.982683 10.7969      0.97544  3.35844  0.146301  3.27864  0.148757  
1 1 1 26 25 23 o 4.16879  0.0927987 17.4121      0.773717 17.3662      1.08985  17.4586      1.09861  4.15941  0.13101   4.17037  0.131716  
1 1 1 26 25 24 o 6.96708  0.0860751 48.634       1.19939  48.5688      1.6888   48.7004      1.70367  6.95586  0.121394  6.96508  0.122301  
1 1 1 26 25 25 o 3.40761  0.116394  11.6585      0.793252 11.2115      1.13704  12.0824      1.10721  3.33409  0.170518  3.46295  0.159865  
1 1 1 26 25 26 o 2.181    0.170888  4.80356      0.745414 4.89888      1.07411  4.71501      1.03531  2.19103  0.245116  2.15028  0.240738  
1 1 1 26 25 27 o 1.57638  0.254352  2.54243      0.80191  2.18569      1.11316  2.92731      1.15621  1.41672  0.383495  1.64277  0.361675  
1 1 1 26 25 28 o 3.05467  0.128787  9.39276      0.786805 9.81         1.11242  8.97507      1.113    3.11221  0.178718  2.97503  0.187058  
1 1 1 26 25 29 o 1.38511  0.278113  2.05615      0.743305 1.41998      1.04434  2.7093       1.05819  1.16445  0.385267  1.57226  0.345878  
1 1 1 26 25 30 o 3.82818  0.127537  14.7893      0.976473 13.5241      1.35489  16.1567      1.40856  3.64201  0.186008  3.98446  0.176756  
1 1 1 26 25 31 o 1.14516  0.344896  1.43286      0.854515 1.4179       1.1953   1.4485       1.22208  1.1698   0.411079  1.18125  0.415601  
1 1 1 26 25 32 o 3.20457  0.157989  10.4557      1.01257  9.83225      1.44468  11.0577      1.41965  3.07472  0.234928  3.26993  0.217076  
1 1 1 26 25 33 o 2.21564  0.222776  5.09653      0.987183 5.208        1.39917  4.98603      1.39303  2.19793  0.318292  2.14761  0.32432   
1 1 1 26 25 34 o 1.91474  0.239148  3.85309      0.915813 3.11004      1.26155  4.68094      1.33159  1.62693  0.391807  2.06995  0.321649  
1 1 1 26 25 35 o 1.7259   0.266072  3.22247      0.918428 3.4532       1.25956  2.96052      1.34207  1.69651  0.380631  1.53817  0.423194  
1 1 1 26 25 36 o 0.80143  0.332062  0.401308     0.870506 0.51245      1.24633  0.295442     1.21638  0.916884 0.389462  0.871563 0.377771  
1 1 1 26 25 37 o 0.616065 0.289762  -0.685743    0.927007 0.537355     1.26246  -2.1168      1.36558  0.900112 0.387427  0.628807 0.309729  
1 1 1 26 25 38 o 1.00507  0.358626  1.2605       0.912848 0.983733     1.29183  1.53651      1.29009  0.965635 0.402578  1.07912  0.418217  
1 1 1 26 25 39 o 0.610648 0.292257  -0.742992    1.00843  -1.09936     1.43716  -0.39735     1.41536  0.690154 0.334348  0.74999  0.354352  
1 1 1 26 25 40 o 1.55598  0.354615  3.4649       1.07936  3.61883      1.59304  3.33426      1.46755  1.34756  0.474466  1.32995  0.456621  
1 1 1 26 25 41 o 0.662429 0.310259  0.00349004   1.02897  0.352536     1.4036   -0.40204     1.51292  0.755368 0.355651  0.700646 0.340559  
1 1 1 26 26 0  o 9.16382  0.152944  84.0754      2.80135  84.0754      2.80135  84.0754      2.80135  9.16654  0.108082  ?        ?         
1 1 1 26 26 1  o 5.09254  0.101294  25.9687      1.03077  25.9687      1.03077  25.9687      1.03077  5.09425  0.0715697 ?        ?         
1 1 1 26 26 2  o 15.1603  0.156065  229.994      4.73087  229.994      4.73087  229.994      4.73087  15.1629  0.110323  ?        ?         
1 1 1 26 26 3  o 27.7683  0.274811  772.218      15.2587  772.218      15.2587  772.218      15.2587  27.7786  0.194228  ?        ?         
1 1 1 26 26 4  o 20.4435  0.234636  418.469      9.5907   418.469      9.5907   418.469      9.5907   20.45    0.165835  ?        ?         
1 1 1 26 26 5  o 7.62477  0.119712  58.1942      1.82454  58.1942      1.82454  58.1942      1.82454  7.62664  0.0846049 ?        ?         
1 1 1 26 26 6  o 9.85634  0.134096  97.2329      2.6423   97.2329      2.6423   97.2329      2.6423   9.8585   0.0947799 ?        ?         
1 1 1 26 26 7  o 6.17958  0.139617  38.2602      1.72356  38.2602      1.72356  38.2602      1.72356  6.18253  0.0986198 ?        ?         
1 1 1 26 26 8  o 7.24493  0.137863  52.5676      1.99598  52.5676      1.99598  52.5676      1.99598  7.24764  0.0974074 ?        ?         
1 1 1 26 26 9  o 4.70132  0.144397  22.1757      1.35482  22.1757      1.35482  22.1757      1.35482  4.70522  0.10191   ?        ?         
1 1 1 26 26 10 o 12.6487  0.168506  160.191      4.26108  160.191      4.26108  160.191      4.26108  12.6527  0.119091  ?        ?         
1 1 1 26 26 11 o 4.23238  0.113537  17.9581      0.959502 17.9581      0.959502 17.9581      0.959502 4.23505  0.0801666 ?        ?         
1 1 1 26 26 12 o 9.15893  0.109536  83.9524      2.00583  83.9524      2.00583  83.9524      2.00583  9.16074  0.0774261 ?        ?         
1 1 1 26 26 13 o 6.32997  0.0993127 40.1113      1.25659  40.1113      1.25659  40.1113      1.25659  6.33165  0.0701865 ?        ?         
1 1 1 26 26 14 o 13.3041  0.147219  177.21       3.91617  177.21       3.91617  177.21       3.91617  13.308   0.104055  ?        ?         
1 1 1 26 26 15 o 2.01549  0.217591  4.21055      0.853746 4.21055      0.853746 4.21055      0.853746 2.03449  0.150247  ?        ?         
1 1 1 26 26 16 o 6.04216  0.107314  36.5642      1.29589  36.5642      1.29589  36.5642      1.29589  6.0445   0.075826  ?        ?         
1 1 1 26 26 17 o 3.44039  0.133507  11.9016      0.915493 11.9016      0.915493 11.9016      0.915493 3.44515  0.0941099 ?        ?         
1 1 1 26 26 18 o 8.9273   0.113367  79.8024      2.02338  79.8024      2.02338  79.8024      2.02338  8.93026  0.0801213 ?        ?         
1 1 1 26 26 19 o 4.47536  0.126167  20.0998      1.12726  20.0998      1.12726  20.0998      1.12726  4.47932  0.0890539 ?        ?         
1 1 1 26 26 20 o 0.908921 0.432458  1.23314      0.890284 1.23314      0.890284 1.23314      0.890284 0.954552 0.355664  ?        ?         
1 1 1 26 26 21 o 0.48313  0.327398  -0.367088    0.90399  -0.367088    0.90399  -0.367088    0.90399  0.38814  0.266826  ?        ?         
1 1 1 26 26 22 o 3.11612  0.15598   9.80747      0.966546 9.80747      0.966546 9.80747      0.966546 3.12398  0.109694  ?        ?         
1 1 1 26 26 23 o 1.52124  0.333593  2.64474      0.887468 2.64474      0.887468 2.64474      0.887468 1.58367  0.205921  ?        ?         
1 1 1 26 26 24 o 1.77444  0.297986  3.43538      0.967809 3.43538      0.967809 3.43538      0.967809 1.81895  0.193092  ?        ?         
1 1 1 26 26 25 o 1.58092  0.361148  2.89565      0.993296 2.89565      0.993296 2.89565      0.993296 1.65291  0.221301  ?        ?         
1 1 1 26 26 26 o 0.712689 0.425465  0.609709     1.04926  0.609709     1.04926  0.609709     1.04926  0.659412 0.372353  ?        ?         
1 1 1 26 26 27 o 2.48308  0.226806  6.37627      1.10475  6.37627      1.10475  6.37627      1.10475  2.50466  0.157368  ?        ?         
1 1 1 26 26 28 f 4.14592  0.148668  17.3337      1.22913  17.3337      1.22913  17.3337      1.22913  4.15464  0.104748  ?        ?         
1 1 1 26 26 29 o 3.46423  0.182533  12.2009      1.25665  12.2009      1.25665  12.2009      1.25665  3.47872  0.128112  ?        ?         
1 1 1 26 26 30 o 0.381439 0.279373  -2.15506     1.13773  -2.15506     1.13773  -2.15506     1.13773  0.283881 0.210668  ?        ?         
1 1 1 26 26 31 o 2.97419  0.229976  9.15127      1.34917  9.15127      1.34917  9.15127      1.34917  3.00005  0.160039  ?        ?         
1 1 1 26 26 32 o 2.68408  0.270959  7.61158      1.42056  7.61158      1.42056  7.61158      1.42056  2.72272  0.186473  ?        ?         
1 1 1 26 26 33 o 3.40953  0.218436  11.9942      1.47551  11.9942      1.47551  11.9942      1.47551  3.43678  0.152474  ?        ?         
1 1 1 26 26 34 o 3.14239  0.227585  10.2765      1.41308  10.2765      1.41308  10.2765      1.41308  3.17467  0.158268  ?        ?         
1 1 1 26 26 35 o 3.90937  0.194072  15.7435      1.50886  15.7435      1.50886  15.7435      1.50886  3.93893  0.1358    ?        ?         
1 1 1 26 26 36 o 2.84866  0.23949   8.60697      1.34226  8.60697      1.34226  8.60697      1.34226  2.89219  0.16532   ?        ?         
1 1 1 26 26 37 o 1.36727  0.527635  2.97301      1.36223  2.97301      1.36223  2.97301      1.36223  1.55359  0.356517  ?        ?         
1 1 1 26 26 38 o 1.2747   0.518999  2.72183      1.29332  2.72183      1.29332  2.72183      1.29332  1.46326  0.361352  ?        ?         
1 1 1 26 26 39 o 1.0209   0.538689  2.23837      1.45028  2.23837      1.45028  2.23837      1.45028  1.16907  0.459405  ?        ?         
1 1 1 26 26 40 o 0.997309 0.554968  2.56916      1.61671  2.56916      1.61671  2.56916      1.61671  1.18759  0.488721  ?        ?         
1 1 1 26 26 41 o 0.524006 0.368686  -0.337679    1.40508  -0.337679    1.40508  -0.337679    1.40508  0.452768 0.316093  ?        ?         
1 1 1 27 0  0  o 3.62567  0.118971  13.1903      0.860594 13.1903      0.860594 13.1903      0.860594 3.62877  0.0839497 ?        ?         
1 1 1 27 0  1  o 4.85021  0.0690871 23.5403      0.669868 23.5403      0.669868 23.5403      0.669868 4.85103  0.0488326 ?        ?         
1 1 1 27 0  2  o 10.9616  0.110548  120.211      2.42301  120.211      2.42301  120.211      2.42301  10.9628  0.0781515 ?        ?         
1 1 1 27 0  3  o 1.81548  0.113197  3.33476      0.407351 3.33476      0.407351 3.33476      0.407351 1.82088  0.0794378 ?        ?         
1 1 1 27 0  4  o 12.9424  0.131167  167.592      3.39445  167.592      3.39445  167.592      3.39445  12.944   0.0927266 ?        ?         
1 1 1 27 0  5  o 13.4353  0.13294   180.6        3.5714   180.6        3.5714   180.6        3.5714   13.437   0.0939806 ?        ?         
1 1 1 27 0  6  o 5.07549  0.0758901 25.7796      0.769971 25.7796      0.769971 25.7796      0.769971 5.07643  0.053639  ?        ?         
1 1 1 27 0  7  f 6.8774   0.0845844 47.3241      1.16305  47.3241      1.16305  47.3241      1.16305  6.87832  0.059792  ?        ?         
1 1 1 27 0  8  o 37.6323  0.377922  1418.76      28.4377  1418.76      28.4377  1418.76      28.4377  37.6491  0.267081  ?        ?         
1 1 1 27 0  9  o 11.8443  0.121634  140.351      2.88066  140.351      2.88066  140.351      2.88066  11.8456  0.0859885 ?        ?         
1 1 1 27 0  10 o 26.0407  0.246107  678.641      12.815   678.641      12.815   678.641      12.815   26.0457  0.173973  ?        ?         
1 1 1 27 0  11 o 11.078   0.122306  122.781      2.70907  122.781      2.70907  122.781      2.70907  11.0793  0.0864611 ?        ?         
1 1 1 27 0  12 o 2.97417  0.11234   8.88433      0.666075 8.88433      0.666075 8.88433      0.666075 2.97743  0.0792195 ?        ?         
1 1 1 27 0  13 o 15.7846  0.15497   249.27       4.89122  249.27       4.89122  249.27       4.89122  15.7864  0.109556  ?        ?         
1 1 1 27 0  14 o 17.5808  0.188122  309.275      6.61297  309.275      6.61297  309.275      6.61297  17.5835  0.132985  ?        ?         
1 1 1 27 0  15 o 1.72985  0.215306  3.13029      0.718891 3.13029      0.718891 3.13029      0.718891 1.75067  0.147596  ?        ?         
1 1 1 27 0  16 o 9.35666  0.137309  87.6203      2.56827  87.6203      2.56827  87.6203      2.56827  9.35861  0.0970485 ?        ?         
1 1 1 27 0  17 o 13.833   0.152222  191.47       4.21025  191.47       4.21025  191.47       4.21025  13.8352  0.107606  ?        ?         
1 1 1 27 0  18 o 22.5314  0.227221  508.119      10.2368  508.119      10.2368  508.119      10.2368  22.5364  0.160615  ?        ?         
1 1 1 27 0  19 o 1.08946  0.487039  1.72113      1.12101  1.72113      1.12101  1.72113      1.12101  1.157    0.385683  ?        ?         
1 1 1 27 0  20 o 4.06947  0.146133  16.6299      1.18589  16.6299      1.18589  16.6299      1.18589  4.07374  0.103071  ?        ?         
1 1 1 27 0  21 o 2.51963  0.262696  6.56095      1.29085  6.56095      1.29085  6.56095      1.29085  2.54136  0.181717  ?        ?         
1 1 1 27 0  22 o 7.19931  0.129633  51.901       1.86517  51.901       1.86517  51.901       1.86517  7.20177  0.0915993 ?        ?         
1 1 1 27 0  23 o 7.93136  0.125464  62.982       1.98907  62.982       1.98907  62.982       1.98907  7.93374  0.0886646 ?        ?         
1 1 1 27 0  24 o 2.33135  0.262443  5.65126      1.18837  5.65126      1.18837  5.65126      1.18837  2.35533  0.180836  ?        ?         
1 1 1 27 0  25 o 1.95054  0.318532  4.11173      1.14262  4.11173      1.14262  4.11173      1.14262  1.99411  0.207747  ?        ?         
1 1 1 27 0  26 f 8.8166   0.135502  77.8661      2.38807  77.8661      2.38807  77.8661      2.38807  8.82039  0.0957478 ?        ?         
1 1 1 27 0  27 o 12.6284  0.156218  159.811      3.94421  159.811      3.94421  159.811      3.94421  12.635   0.110386  ?        ?         
1 1 1 27 0  28 o 0.560355 0.380578  -0.523518    1.2309   -0.523518    1.2309   -0.523518    1.2309   0.449267 0.309618  ?        ?         
1 1 1 27 0  29 o 4.74568  0.153035  22.6416      1.44909  22.6416      1.44909  22.6416      1.44909  4.75202  0.107939  ?        ?         
1 1 1 27 0  30 o 0.923323 0.483806  1.28257      1.16349  1.28257      1.16349  1.28257      1.16349  0.93517  0.417236  ?        ?         
1 1 1 27 0  31 o 1.63824  0.451066  3.28018      1.27623  3.28018      1.27623  3.28018      1.27623  1.73881  0.281828  ?        ?         
1 1 1 27 0  32 o 0.730165 0.456299  0.432885     1.32822  0.432885     1.32822  0.432885     1.32822  0.647379 0.394357  ?        ?         
1 1 1 27 0  33 o 0.748576 0.46145   0.548549     1.31767  0.548549     1.31767  0.548549     1.31767  0.674819 0.401799  ?        ?         
1 1 1 27 0  34 o 5.75545  0.162124  33.3765      1.86285  33.3765      1.86285  33.3765      1.86285  5.76634  0.114319  ?        ?         
1 1 1 27 0  35 o 0.824327 0.485892  0.912044     1.33984  0.912044     1.33984  0.912044     1.33984  0.779787 0.428447  ?        ?         
1 1 1 27 0  36 o 0.477401 0.340203  -1.42527     1.2994   -1.42527     1.2994   -1.42527     1.2994   0.366876 0.265615  ?        ?         
1 1 1 27 0  37 o 0.765238 0.476441  0.602245     1.43195  0.602245     1.43195  0.602245     1.43195  0.694108 0.416339  ?        ?         
1 1 1 27 0  38 o 1.14992  0.57765   2.20316      1.61699  2.20316      1.61699  2.20316      1.61699  1.22733  0.485751  ?        ?         
1 1 1 27 0  39 o 3.80924  0.23336   15.0152      1.76256  15.0152      1.76256  15.0152      1.76256  3.84246  0.162842  ?        ?         
1 1 1 27 0  40 o 3.36841  0.253453  11.9468      1.68524  11.9468      1.68524  11.9468      1.68524  3.41315  0.175629  ?        ?         
1 1 1 27 0  41 f 0.517731 0.364373  -1.00426     1.37429  -1.00426     1.37429  -1.00426     1.37429  0.412164 0.293822  ?        ?         
1 1 1 27 0  42 o 0.548726 0.381695  -0.678898    1.42057  -0.678898    1.42057  -0.678898    1.42057  0.448824 0.314614  ?        ?         
1 1 1 27 0  43 o 0.585707 0.40803   -0.59711     1.63773  -0.59711     1.63773  -0.59711     1.63773  0.490209 0.341956  ?        ?         
1 1 1 27 0  44 o 0.55131  0.389674  -0.759111    1.61089  -0.759111    1.61089  -0.759111    1.61089  0.460294 0.325876  ?        ?         
1 1 1 27 0  45 o 0.575212 0.407497  -0.358426    1.78884  -0.358426    1.78884  -0.358426    1.78884  0.504197 0.353319  ?        ?         
1 1 1 27 0  46 o 0.841634 0.528644  2.49386      1.81116  2.49386      1.81116  2.49386      1.81116  0.991724 0.51059   ?        ?         
1 1 1 27 1  0  o 2.61425  0.0860369 6.85713      0.44874  6.85713      0.44874  6.85713      0.44874  2.61644  0.0607111 ?        ?         
1 1 1 27 1  1  o 17.8221  0.121976  317.745      4.34775  317.731      6.14827  317.759      6.14901  17.8183  0.172527  17.8191  0.17254   
1 1 1 27 1  2  o 22.1076  0.147237  489.01       6.51011  493.003      9.27739  485.137      9.13756  22.1915  0.209031  22.0139  0.207541  
1 1 1 27 1  3  o 8.83313  0.0663998 78.0326      1.17304  78.2594      1.64695  77.799       1.67117  8.84548  0.0930954 8.81939  0.0947439 
1 1 1 27 1  4  o 8.21543  0.0645957 67.5001      1.06136  67.3831      1.48398  67.6227      1.51861  8.2079   0.0903993 8.22244  0.0923456 
1 1 1 27 1  5  f 4.55507  0.051006  20.75        0.464672 20.7951      0.655104 20.7043      0.659207 4.55988  0.0718334 4.5499   0.0724418 
1 1 1 27 1  6  o 15.7533  0.115527  248.243      3.63985  246.826      5.05766  249.766      5.24237  15.7059  0.161012  15.7988  0.16591   
1 1 1 27 1  7  o 2.083    0.0850319 4.33959      0.354243 3.74891      0.493771 4.96605      0.508504 1.93585  0.127533  2.22813  0.11411   
1 1 1 27 1  8  o 10.3731  0.0793992 107.615      1.64723  108.866      2.32784  106.36       2.33123  10.4326  0.111566  10.3118  0.113038  
1 1 1 27 1  9  o 4.81777  0.0568445 23.2122      0.547728 22.6456      0.773378 23.7825      0.775836 4.75846  0.0812635 4.87645  0.0795493 
1 1 1 27 1  10 o 9.0931   0.0729567 82.6914      1.3268   84.9013      1.96074  80.8248      1.80205  9.21334  0.106408  8.98953  0.100231  
1 1 1 27 1  11 o 2.11273  0.100252  4.46429      0.423612 5.23244      0.601122 3.7065       0.597054 2.28716  0.131412  1.92488  0.155088  
1 1 1 27 1  12 o 18.0796  0.126034  326.949      4.55729  325.856      6.4247   328.055      6.46546  18.0472  0.177997  18.1079  0.178526  
1 1 1 27 1  13 o 16.3783  0.119731  268.306      3.92198  269.738      5.50731  266.833      5.58656  16.4202  0.167699  16.3314  0.171038  
1 1 1 27 1  14 o 25.2373  0.181336  637.255      9.15287  642.726      13.3638  632.421      12.5616  25.3378  0.263713  25.1353  0.249881  
1 1 1 27 1  15 o 11.8409  0.0890997 140.226      2.11003  138.952      2.9268   141.606      3.04477  11.7861  0.124163  11.898   0.127953  
1 1 1 27 1  16 o 11.9545  0.0925952 142.936      2.21386  143.389      3.10613  142.467      3.15622  11.9725  0.12972   11.9338  0.132238  
1 1 1 27 1  17 o 3.81146  0.0931818 14.53        0.710318 14.3361      1.02948  14.7061      0.981333 3.78554  0.135975  3.83418  0.127972  
1 1 1 27 1  18 o 5.68499  0.0867136 32.3249      0.985931 32.5758      1.39157  32.0719      1.39709  5.70651  0.121928  5.66218  0.12337   
1 1 1 27 1  19 o 18.0354  0.143587  325.456      5.17929  326.175      7.27063  324.716      7.37984  18.0503  0.201399  18.0095  0.204887  
1 1 1 27 1  20 o 7.28927  0.0850587 53.1455      1.24003  53.9072      1.78746  52.4387      1.72172  7.34045  0.121754  7.23986  0.118906  
1 1 1 27 1  21 f 12.1966  0.115093  148.835      2.80748  150.414      3.98788  147.284      3.95311  12.2579  0.162666  12.1297  0.162952  
1 1 1 27 1  22 o 5.97345  0.0896623 35.6962      1.07119  35.5208      1.52613  35.8666      1.50389  5.95753  0.128084  5.98655  0.125606  
1 1 1 27 1  23 o 3.05421  0.139246  9.33887      0.850573 8.99402      1.20955  9.67623      1.19634  2.99539  0.201901  3.10726  0.192508  
1 1 1 27 1  24 o 7.84833  0.0881343 61.6306      1.38341  60.6263      1.91397  62.7293      2.00187  7.78201  0.122974  7.91558  0.126451  
1 1 1 27 1  25 o 3.20415  0.136562  10.2845      0.875133 10.8146      1.22869  9.73866      1.24676  3.2832   0.187117  3.11487  0.200131  
1 1 1 27 1  26 o 8.43917  0.0931307 71.2892      1.57189  70.3411      2.17043  72.335       2.27957  8.37902  0.129516  8.49636  0.134149  
1 1 1 27 1  27 o 12.9414  0.111134  167.766      2.87646  169.133      4.01937  166.332      4.1183   12.9837  0.154786  12.8742  0.159943  
1 1 1 27 1  28 o 5.75336  0.100438  33.1553      1.15572  35.123       1.67006  31.347       1.60098  5.91683  0.141128  5.58947  0.143214  
1 1 1 27 1  29 o 3.18096  0.145126  10.1602      0.923277 9.8149       1.30704  10.5041      1.30439  3.11954  0.209492  3.22817  0.202033  
1 1 1 27 1  30 o 1.11747  0.336104  1.29462      0.811873 0.534969     1.15298  2.04171      1.1434   0.978103 0.390835  1.38602  0.393872  
1 1 1 27 1  31 o 4.07871  0.124835  16.7077      1.01833  15.273       1.46744  18.0403      1.41431  3.88913  0.18866   4.2312   0.167128  
1 1 1 27 1  32 o 1.36892  0.332479  2.0147       0.90251  2.36849      1.2826   1.66773      1.27018  1.47602  0.416426  1.27728  0.424887  
1 1 1 27 1  33 o 3.93182  0.13794   15.5646      1.08471  13.8573      1.49977  17.4372      1.57069  3.69512  0.202939  4.14899  0.189287  
1 1 1 27 1  34 o 3.84663  0.140397  14.9133      1.08011  16.2046      1.43742  13.2385      1.63698  3.99955  0.179698  3.60117  0.227284  
1 1 1 27 1  35 f 3.14769  0.155786  10.0294      0.980732 9.74648      1.38253  10.3159      1.39144  3.08312  0.22421   3.17363  0.219218  
1 1 1 27 1  36 o 1.59109  0.318477  2.7619       0.977663 3.05801      1.36531  2.45029      1.40061  1.63704  0.416006  1.46573  0.44158   
1 1 1 27 1  37 o 1.14338  0.376943  1.41236      0.999696 1.5922       1.40189  1.22628      1.42599  1.23323  0.443987  1.15238  0.441307  
1 1 1 27 1  38 o 1.71446  0.324821  3.25699      1.07335  3.05921      1.50495  3.46174      1.53128  1.59953  0.451018  1.70448  0.444595  
1 1 1 27 1  39 o 2.24737  0.241508  5.31128      1.08552  5.93764      1.51832  4.65636      1.55256  2.32939  0.325905  1.99423  0.403363  
1 1 1 27 1  40 o 0.865223 0.362487  0.429655     1.05535  0.762119     1.46701  0.0730472    1.51934  1.01796  0.426967  0.920999 0.409294  
1 1 1 27 1  41 o 1.17011  0.379176  1.68002      1.01196  1.20984      1.43958  2.13932      1.42281  1.07501  0.43373   1.27861  0.448575  
1 1 1 27 1  42 o 0.630905 0.29766   -0.723788    0.992987 -0.63509     1.39548  -0.814763    1.41328  0.760754 0.357206  0.747021 0.353487  
1 1 1 27 1  43 o 0.759189 0.344377  0.0586278    1.1287   0.252876     1.6267   -0.121714    1.56739  0.876592 0.402879  0.825296 0.385497  
1 1 1 27 1  44 f 0.59412  0.291148  -1.37342     1.17213  -2.39126     1.69543  -0.44153     1.62227  0.653195 0.325328  0.772276 0.36987   
1 1 1 27 1  45 o 0.751893 0.348071  0.462161     1.24177  0.562958     1.71574  0.351282     1.7995   0.799568 0.382323  0.786951 0.379944  
1 1 1 27 1  46 o 0.879741 0.383804  1.86078      1.27144  2.39483      1.8075   1.33771      1.78882  0.864302 0.405962  0.776654 0.375662  
1 1 1 27 2  0  o 0.800314 0.281442  0.841002     0.407794 0.841002     0.407794 0.841002     0.407794 0.859604 0.19239   ?        ?         
1 1 1 27 2  1  o 21.193   0.142731  449.368      6.04979  449.208      8.46325  449.536      8.65123  21.184   0.199756  21.1913  0.204122  
1 1 1 27 2  2  o 12.1895  0.0868065 148.611      2.11625  152.069      3.02552  145.299      2.96119  12.3293  0.122696  12.0517  0.122853  
1 1 1 27 2  3  o 17.2209  0.118235  296.661      4.07224  295.567      5.74     297.77       5.77822  17.1862  0.166995  17.2501  0.167484  
1 1 1 27 2  4  f 8.80072  0.0668415 77.461       1.17651  77.4237      1.64593  77.5         1.68233  8.79814  0.0935387 8.80243  0.0955603 
1 1 1 27 2  5  o 9.67493  0.0758651 93.617       1.46798  91.7926      2.02239  95.6488      2.13419  9.57957  0.105557  9.77863  0.109125  
1 1 1 27 2  6  o 17.5868  0.128247  309.414      4.51091  307.041      6.11429  312.248      6.68225  17.5163  0.174531  17.6631  0.189158  
1 1 1 27 2  7  o 3.85483  0.0575638 14.8607      0.443797 14.3712      0.622143 15.3679      0.633253 3.79067  0.0820623 3.91992  0.0807738 
1 1 1 27 2  8  o 12.062   0.0885314 145.512      2.13573  145.341      3.01947  145.684      3.02128  12.054   0.125248  12.0682  0.125176  
1 1 1 27 2  9  o 4.86034  0.0595788 23.6243      0.579146 24.134       0.837587 23.1574      0.801666 4.91233  0.0852535 4.81193  0.0832999 
1 1 1 27 2  10 o 12.5655  0.0918535 157.912      2.30837  162.424      3.38516  153.99       3.15593  12.7428  0.132826  12.4077  0.127176  
1 1 1 27 2  11 o 11.0862  0.0816393 122.916      1.81014  123.026      2.59024  122.811      2.53065  11.0906  0.116776  11.0809  0.114189  
1 1 1 27 2  12 o 5.55117  0.0634017 30.8174      0.703908 30.5182      0.986707 31.1274      1.00448  5.52399  0.089311  5.57885  0.090026  
1 1 1 27 2  13 o 8.42612  0.0736599 71.0053      1.24134  71.0437      1.77781  70.9687      1.73404  8.42802  0.10547   8.42361  0.102927  
1 1 1 27 2  14 o 4.11658  0.0726265 16.9477      0.597946 17.3659      0.874337 16.5803      0.819566 4.16685  0.104916  4.07155  0.100645  
1 1 1 27 2  15 o 19.6442  0.138677  386.036      5.44839  383.075      7.56708  389.223      7.85116  19.5653  0.19338   19.7212  0.199054  
1 1 1 27 2  16 o 5.1446   0.0750012 26.47        0.771702 26.4174      1.05482  26.5305      1.13196  5.13922  0.102625  5.15013  0.109896  
1 1 1 27 2  17 o 14.7796  0.1112    218.495      3.28697  219.095      4.65595  217.898      4.64103  14.7978  0.157319  14.7574  0.157245  
1 1 1 27 2  18 o 20.3418  0.150025  414.018      6.10355  415.86       8.66129  412.2        8.60247  20.3813  0.212482  20.2914  0.211973  
1 1 1 27 2  19 o 14.1406  0.122927  200.041      3.47653  206.715      4.90744  193.318      4.92572  14.3717  0.170733  13.8977  0.177213  
1 1 1 27 2  20 o 15.4687  0.119981  239.393      3.71191  240.19       5.33482  238.644      5.16803  15.4906  0.172195  15.4411  0.167347  
1 1 1 27 2  21 o 9.49733  0.100787  90.2375      1.91441  87.6439      2.65012  93.0681      2.76853  9.35786  0.141599  9.64298  0.143551  
1 1 1 27 2  22 o 6.60144  0.0863313 43.5956      1.13982  41.9027      1.59428  45.3658      1.63023  6.47073  0.123191  6.73289  0.121065  
1 1 1 27 2  23 o 6.35944  0.0880546 40.4617      1.11996  38.8059      1.55257  42.2581      1.61711  6.22645  0.124675  6.49753  0.124441  
1 1 1 27 2  24 o 5.77067  0.0922292 33.3218      1.06445  33.3524      1.49676  33.2906      1.51411  5.77147  0.129668  5.76604  0.131296  
1 1 1 27 2  25 o 1.14871  0.335346  1.35883      0.818025 2.82941      1.13991  -0.2026      1.17459  1.64026  0.357407  0.848331 0.369511  
1 1 1 27 2  26 o 8.37147  0.0933959 70.1524      1.56372  70.241       2.15037  70.053       2.27802  8.37295  0.128412  8.36073  0.136233  
1 1 1 27 2  27 o 7.49017  0.0966854 56.1767      1.44838  55.5089      1.98752  56.9331      2.11507  7.44103  0.133551  7.53489  0.140352  
1 1 1 27 2  28 o 2.35094  0.1839    5.55825      0.864674 6.88977      1.25861  4.36803      1.18995  2.61206  0.240922  2.07562  0.286648  
1 1 1 27 2  29 o 3.71803  0.126605  13.868       0.94144  13.447       1.30621  14.3231      1.3581   3.65542  0.178668  3.77245  0.180002  
1 1 1 27 2  30 o 5.46297  0.0997269 29.9126      1.08961  29.5454      1.53808  30.2825      1.54382  5.42302  0.14181   5.49047  0.140591  
1 1 1 27 2  31 o 3.13355  0.155905  9.88656      0.977075 10.6473      1.41545  9.19413      1.35043  3.24144  0.218337  3.01105  0.224245  
1 1 1 27 2  32 o 1.34789  0.338522  1.95656      0.912087 1.95112      1.28566  1.96208      1.29415  1.35567  0.426079  1.35934  0.427534  
1 1 1 27 2  33 o 1.08615  0.367696  1.17043      0.951249 2.21475      1.33779  0.102432     1.35288  1.42898  0.431775  0.945296 0.403774  
1 1 1 27 2  34 o 1.12657  0.363495  1.3174       0.930712 1.82799      1.21593  0.595013     1.44629  1.30743  0.414837  1.05725  0.431651  
1 1 1 27 2  35 o 2.79551  0.172414  7.93306      0.963967 7.87209      1.34071  7.99831      1.38697  2.76463  0.242476  2.78448  0.249054  
1 1 1 27 2  36 f 3.04357  0.164932  9.41291      1.00396  9.42826      1.38748  9.39605      1.45453  3.02359  0.229443  3.01356  0.241331  
1 1 1 27 2  37 o 2.07257  0.249077  4.48117      1.03246  6.46638      1.42471  2.28554      1.49831  2.47249  0.288112  1.40773  0.461469  
1 1 1 27 2  38 o 2.30687  0.238614  5.55433      1.1009   5.66556      1.55517  5.4426       1.55866  2.28048  0.340974  2.2306   0.349382  
1 1 1 27 2  39 o 0.96673  0.377323  0.809756     1.054    0.509767     1.49451  1.10661      1.48668  1.00442  0.426558  1.11169  0.443937  
1 1 1 27 2  40 o 0.608469 0.292138  -1.19354     1.02787  -1.45379     1.39352  -0.882982    1.52224  0.709714 0.340604  0.803402 0.376479  
1 1 1 27 2  41 o 1.42769  0.364925  2.51153      1.04606  1.75881      1.47911  3.26473      1.47958  1.18629  0.450857  1.55793  0.44978   
1 1 1 27 2  42 o 0.844812 0.355346  0.550963     1.02091  1.14178      1.41713  -0.0864815   1.47199  1.01713  0.422694  0.841176 0.385191  
1 1 1 27 2  43 o 0.856064 0.366574  0.67194      1.11999  0.784968     1.60109  0.563638     1.56726  0.932475 0.417097  0.899912 0.40713   
1 1 1 27 2  44 o 1.28313  0.415677  2.65804      1.21622  3.82765      1.77295  1.6184       1.67153  1.38261  0.499147  1.00513  0.439272  
1 1 1 27 2  45 o 0.896326 0.385435  1.46413      1.24735  1.70881      1.70411  1.18174      1.83073  0.906571 0.41485   0.851138 0.402549  
1 1 1 27 2  46 o 0.600718 0.295893  -0.596679    1.24677  -1.11937     1.75632  -0.0657286   1.77015  0.629997 0.31688   0.685312 0.340082  
1 1 1 27 3  0  o 8.01129  0.085439  64.2084      1.3686   64.2084      1.3686   64.2084      1.3686   8.01215  0.0604003 ?        ?         
1 1 1 27 3  1  o 7.4794   0.0588523 55.9462      0.88036  56.2544      1.25245  55.6451      1.23772  7.49965  0.0835004 7.45894  0.0829687 
1 1 1 27 3  2  o 14.7276  0.102006  216.957      3.00461  221.248      4.32719  212.962      4.17519  14.8706  0.145495  14.5896  0.143088  
1 1 1 27 3  3  o 4.82044  0.0558071 23.2384      0.53803  24.247       0.75721  22.21        0.764622 4.92377  0.0768933 4.71237  0.0811292 
1 1 1 27 3  4  o 6.03845  0.0551255 36.4655      0.665745 36.1793      0.933281 36.7619      0.949953 6.01449  0.077586  6.06272  0.0783438 
1 1 1 27 3  5  o 11.8866  0.0895358 141.317      2.12855  142.844      2.99978  139.768      3.02077  11.9495  0.125519  11.8201  0.127781  
1 1 1 27 3  6  o 3.61446  0.0571791 13.0652      0.413343 12.0729      0.564044 14.2163      0.60748  3.47435  0.0811725 3.77019  0.0805637 
1 1 1 27 3  7  o 24.2082  0.170514  586.362      8.25564  581.734      11.4587  591.358      11.9045  24.1059  0.237674  24.3036  0.244913  
1 1 1 27 3  8  o 11.1457  0.082666  124.242      1.84275  124.909      2.6524   123.621      2.56202  11.1749  0.118677  11.1172  0.115228  
1 1 1 27 3  9  o 12.6282  0.0917382 159.492      2.31697  160.421      3.26504  158.55       3.28847  12.664   0.12891   12.5899  0.1306    
1 1 1 27 3  10 o 18.9682  0.128448  359.88       4.87284  364.274      6.9694   355.677      6.81566  19.0812  0.182624  18.8548  0.18074   
1 1 1 27 3  11 o 8.00429  0.0658334 64.0727      1.0539   64.423       1.49531  63.7269      1.48562  8.02587  0.0931554 7.98239  0.0930558 
1 1 1 27 3  12 o 1.87498  0.128275  3.5164       0.481025 3.9598       0.665573 3.03154      0.695991 1.9895   0.167271  1.7406   0.199928  
1 1 1 27 3  13 o 5.86104  0.067455  34.3542      0.790713 33.8114      1.15377  34.8348      1.08579  5.81431  0.0992185 5.90171  0.0919896 
1 1 1 27 3  14 o 8.50268  0.0739514 72.3024      1.25757  74.5424      1.82096  70.2598      1.73883  8.63295  0.105466  8.38132  0.103732  
1 1 1 27 3  15 o 5.4677   0.0755824 29.8992      0.826523 29.3478      1.17434  30.4404      1.1635   5.41672  0.108399  5.51666  0.105453  
1 1 1 27 3  16 o 9.8544   0.0800923 97.1224      1.57852  98.206       2.25198  96.0758      2.21327  9.90854  0.113638  9.8005   0.112916  
1 1 1 27 3  17 o 21.5401  0.153616  464.222      6.61779  459.153      9.26044  469.513      9.46071  21.4165  0.216198  21.6565  0.218426  
1 1 1 27 3  18 o 12.3705  0.101649  153.07       2.51491  152.798      3.55229  153.343      3.56096  12.3579  0.143726  12.3799  0.143821  
1 1 1 27 3  19 o 1.45084  0.277629  2.17978      0.776858 4.22443      1.09784  0.129153     1.09945  2.0532   0.267349  0.8861   0.370532  
1 1 1 27 3  20 o 11.9219  0.103574  142.185      2.4696   140.904      3.46384  143.509      3.52195  11.866   0.145957  11.9751  0.147054  
1 1 1 27 3  21 o 3.20815  0.13685   10.3008      0.878073 9.68573      1.21056  10.9837      1.27555  3.10955  0.194652  3.3114   0.1926    
1 1 1 27 3  22 o 1.78546  0.220805  3.1962       0.788477 2.13382      1.10237  4.30901      1.12823  1.42995  0.379195  2.07174  0.272291  
1 1 1 27 3  23 o 6.93696  0.0862231 48.1442      1.19625  46.9046      1.66741  49.459       1.7172   6.84543  0.12179   7.02934  0.122146  
1 1 1 27 3  24 o 10.7071  0.0932559 114.721      1.99701  115.265      2.82331  114.176      2.82508  10.7288  0.131576  10.6779  0.132287  
1 1 1 27 3  25 o 1.63528  0.248124  2.69121      0.811503 2.24723      1.11578  3.18977      1.18239  1.46104  0.378778  1.74474  0.35118   
1 1 1 27 3  26 o 1.01888  0.343189  0.985434     0.828676 1.15048      1.11601  0.782606     1.23718  1.12951  0.397181  1.06644  0.410325  
1 1 1 27 3  27 o 6.942    0.0952648 48.2546      1.32266  46.6012      1.88113  49.8712      1.86008  6.81706  0.137973  7.05302  0.131864  
1 1 1 27 3  28 o 4.50325  0.111002  20.3227      0.999741 21.055       1.50901  19.7498      1.33468  4.5777   0.164822  4.4353   0.150461  
1 1 1 27 3  29 o 5.37073  0.104155  28.9084      1.11878  30.2197      1.55981  27.519       1.60557  5.48603  0.142162  5.2334   0.153397  
1 1 1 27 3  30 o 4.5033   0.107838  20.3359      0.971252 19.3865      1.37255  21.2881      1.37456  4.39024  0.156319  4.60169  0.149354  
1 1 1 27 3  31 o 1.67037  0.270529  2.84906      0.903768 1.71612      1.26199  4.04183      1.29488  1.29361  0.423516  1.98034  0.326935  
1 1 1 27 3  32 o 3.2938   0.144318  10.9252      0.950708 10.7181      1.35447  11.1262      1.33475  3.24993  0.208385  3.3128   0.201454  
1 1 1 27 3  33 o 2.73573  0.188705  7.58146      1.03249  8.04947      1.45195  7.1027       1.46853  2.80277  0.25902   2.6276   0.279442  
1 1 1 27 3  34 o 2.67492  0.180587  7.25258      0.966112 7.06586      1.2618   7.51713      1.50195  2.62644  0.24021   2.69807  0.278337  
1 1 1 27 3  35 o 2.10056  0.216094  4.51994      0.90784  4.37892      1.26421  4.67009      1.3045   2.04201  0.30955   2.10889  0.309284  
1 1 1 27 3  36 o 1.83153  0.255082  3.48627      0.934385 1.69569      1.2962   5.42333      1.34818  1.25634  0.429217  2.26886  0.297104  
1 1 1 27 3  37 o 3.15085  0.173097  10.1418      1.09081  11.896       1.5094   8.2241       1.57817  3.38931  0.222671  2.78882  0.282945  
1 1 1 27 3  38 o 1.17691  0.386051  1.53764      1.04859  0.882754     1.4812   2.1956       1.48467  1.08168  0.438497  1.37307  0.459363  
1 1 1 27 3  39 o 1.14622  0.383153  1.48767      1.03291  0.47194      1.47716  2.45949      1.44488  0.990879 0.422536  1.41674  0.452483  
1 1 1 27 3  40 f 0.914833 0.366749  0.704742     1.01999  1.06113      1.4191   0.323851     1.46707  1.06079  0.429545  0.94247  0.411713  
1 1 1 27 3  41 o 1.14778  0.383008  1.63538      1.03213  1.06783      1.47508  2.1798       1.4447   1.04425  0.432438  1.27686  0.451606  
1 1 1 27 3  42 o 1.73736  0.309833  3.61723      1.03787  3.44375      1.4464   3.80136      1.49014  1.55271  0.443557  1.63632  0.444048  
1 1 1 27 3  43 o 0.863471 0.36707   0.747215     1.10871  -1.07913     1.5921   2.46684      1.54488  0.732266 0.354229  1.209    0.460396  
1 1 1 27 3  44 o 0.597106 0.293146  -1.37209     1.19751  -0.522954    1.79637  -2.05126     1.60656  0.782709 0.378222  0.648229 0.321994  
1 1 1 27 3  45 o 0.723862 0.339757  0.227865     1.25822  -0.963018    1.71232  1.62553      1.85503  0.688039 0.339799  0.896949 0.419127  
1 1 1 27 4  0  o 27.3888  0.268515  751.002      14.7054  751.002      14.7054  751.002      14.7054  27.3965  0.189794  ?        ?         
1 1 1 27 4  1  o 20.2118  0.141058  408.71       5.70206  407.163      8.03962  410.276      8.08848  20.1687  0.19931   20.2456  0.199759  
1 1 1 27 4  2  o 16.451   0.11328   270.718      3.72714  273.083      5.31637  268.432      5.22673  16.5201  0.160906  16.3789  0.159557  
1 1 1 27 4  3  o 11.6822  0.0822076 136.496      1.92074  136.993      2.70116  135.988      2.73176  11.7025  0.115409  11.6595  0.117147  
1 1 1 27 4  4  o 3.75067  0.057632  14.0686      0.432318 14.6204      0.617844 13.5393      0.605132 3.82337  0.0807983 3.67929  0.0822349 
1 1 1 27 4  5  o 18.5905  0.135039  345.74       5.02089  345.338      7.00776  346.165      7.19725  18.5761  0.188623  18.598   0.193495  
1 1 1 27 4  6  o 11.0559  0.0848043 122.249      1.87517  122.609      2.6257   121.875      2.67888  11.0714  0.118581  11.0381  0.121347  
1 1 1 27 4  7  o 29.1677  0.207269  851.412      12.0912  857.423      17.2011  845.54       16.9997  29.2587  0.293948  29.0555  0.292538  
1 1 1 27 4  8  o 10.1087  0.0772307 102.197      1.56141  102.688      2.22035  101.716      2.19618  10.1325  0.109566  10.0844  0.108889  
1 1 1 27 4  9  o 18.4226  0.127557  339.476      4.69985  340.607      6.53356  338.264      6.7657   18.4511  0.177051  18.3872  0.183979  
1 1 1 27 4  10 o 25.3548  0.169647  643.139      8.60272  643.67       12.1819  642.61       12.1503  25.3597  0.240183  25.3389  0.239756  
1 1 1 27 4  11 o 6.26297  0.0626865 39.2271      0.785208 40.1958      1.11717  38.2813      1.10385  6.33964  0.0881099 6.18682  0.08921   
1 1 1 27 4  12 o 15.1677  0.109033  230.1        3.30757  230.514      4.74288  229.707      4.61497  15.1798  0.156223  15.1534  0.152275  
1 1 1 27 4  13 o 1.56455  0.14774   2.44868      0.462295 2.61748      0.656823 2.28298      0.650785 1.61732  0.20306   1.51038  0.215438  
1 1 1 27 4  14 o 9.12672  0.0746926 83.3056      1.3634   84.4788      1.97339  82.2341      1.88585  9.19026  0.107363  9.0674   0.103991  
1 1 1 27 4  15 o 20.5594  0.149988  422.884      6.16733  420.497      8.68558  425.313      8.75873  20.4966  0.211879  20.6136  0.212451  
1 1 1 27 4  16 o 10.6089  0.085352  112.567      1.81099  113.492      2.57494  111.662      2.54753  10.6516  0.120871  10.5654  0.12056   
1 1 1 27 4  17 o 2.6769   0.13749   7.16896      0.736097 7.1642       1.0195   7.17414      1.06391  2.67546  0.190529  2.67722  0.198697  
1 1 1 27 4  18 o 9.06993  0.0851308 82.2795      1.54426  79.3808      2.14906  85.3742      2.22052  8.90786  0.120627  9.23803  0.120184  
1 1 1 27 4  19 o 9.40634  0.0926651 88.5022      1.74328  89.2828      2.47351  87.7319      2.4573   9.4465   0.130922  9.36409  0.131209  
1 1 1 27 4  20 o 5.0538   0.0956201 25.5494      0.966489 24.9706      1.32845  26.2003      1.40872  4.99543  0.132967  5.11684  0.137655  
1 1 1 27 4  21 o 5.86878  0.0924424 34.4562      1.08505  34.5444      1.51407  34.363       1.55575  5.87517  0.128854  5.85958  0.132753  
1 1 1 27 4  22 o 1.04935  0.328537  1.09752      0.765367 2.06486      1.08322  0.133126     1.08157  1.40723  0.377128  0.878557 0.367451  
1 1 1 27 4  23 o 5.05094  0.094386  25.5271      0.953477 25.5676      1.32923  25.4842      1.36847  5.0535   0.131516  5.04507  0.135624  
1 1 1 27 4  24 o 4.01708  0.111442  16.1536      0.895345 16.5689      1.23507  15.6937      1.29984  4.06657  0.151856  3.95705  0.164243  
1 1 1 27 4  25 o 4.15455  0.111628  17.2832      0.927525 16.3349      1.28149  18.3266      1.3442   4.03626  0.158747  4.27536  0.157203  
1 1 1 27 4  26 o 6.35946  0.0904128 40.4843      1.14995  40.8583      1.60344  40.0882      1.65012  6.3857   0.125549  6.32474  0.13045   
1 1 1 27 4  27 o 6.85124  0.0943157 47.0016      1.29236  43.7153      1.80526  50.4563      1.85094  6.60248  0.13671   7.09419  0.130455  
1 1 1 27 4  28 o 2.12697  0.196699  4.55546      0.836748 4.12719      1.22033  4.93547      1.14952  2.01495  0.302819  2.20813  0.260293  
1 1 1 27 4  29 o 2.94308  0.149669  8.70198      0.880976 8.77651      1.23702  8.62527      1.25495  2.94917  0.209724  2.92302  0.214666  
1 1 1 27 4  30 f 3.59929  0.127312  13.0069      0.916468 11.6943      1.30684  14.2771      1.28558  3.40424  0.191943  3.76498  0.170729  
1 1 1 27 4  31 o 2.53976  0.181472  6.5131       0.921789 6.22188      1.27371  6.83337      1.33571  2.4704   0.257795  2.58891  0.257967  
1 1 1 27 4  32 o 2.55947  0.180038  6.62477      0.921602 6.48981      1.26932  6.77523      1.34026  2.51962  0.251886  2.57249  0.260498  
1 1 1 27 4  33 o 1.83853  0.265937  3.47005      0.977865 3.64966      1.37493  3.28621      1.39104  1.82787  0.387855  1.72695  0.40861   
1 1 1 27 4  34 o 0.747808 0.324016  -0.0534551   0.894243 0.6239       1.18237  -0.958763    1.36691  0.989559 0.395629  0.79093  0.365777  
1 1 1 27 4  35 o 2.45381  0.186038  6.13371      0.913004 6.21606      1.28414  6.04952      1.29834  2.44801  0.262283  2.41272  0.269061  
1 1 1 27 4  36 o 2.17418  0.213986  4.86004      0.930489 6.11979      1.30496  3.55713      1.32714  2.41992  0.26963   1.77745  0.384216  
1 1 1 27 4  37 o 1.88911  0.267644  3.75881      1.01122  3.78324      1.39247  3.73156      1.4709   1.81481  0.394661  1.7893   0.418135  
1 1 1 27 4  38 o 1.70294  0.321834  3.22232      1.05616  3.00753      1.47164  3.45045      1.51667  1.58191  0.445982  1.69625  0.442477  
1 1 1 27 4  39 o 1.13078  0.383286  1.44797      1.03363  1.14396      1.49181  1.72866      1.43347  1.11092  0.444294  1.23001  0.448352  
1 1 1 27 4  40 o 0.791236 0.343137  0.146065     1.00458  0.345796     1.36989  -0.0863064   1.47759  0.92261  0.400413  0.884154 0.397903  
1 1 1 27 4  41 o 0.767587 0.338858  0.0682796    1.01838  0.33701      1.43674  -0.203056    1.44369  0.913211 0.402901  0.840727 0.383575  
1 1 1 27 4  42 f 1.14759  0.377397  1.73378      1.00211  1.05729      1.37341  2.50399      1.46546  0.992782 0.414571  1.30039  0.45534   
1 1 1 27 4  43 o 0.711976 0.329279  -0.164223    1.10791  1.47202      1.5778   -1.75567     1.55606  1.01547  0.43497   0.672077 0.331049  
1 1 1 27 4  44 o 1.40072  0.403809  3.14353      1.19343  1.9298       1.76249  4.17124      1.62181  1.01518  0.44728   1.47331  0.480111  
1 1 1 27 4  45 o 0.808071 0.364947  0.861836     1.25393  1.90572      1.72373  -0.31145     1.82745  0.938692 0.425702  0.745163 0.364771  
1 1 1 27 5  0  o 16.2148  0.161515  263.079      5.23671  263.079      5.23671  263.079      5.23671  16.2173  0.114179  ?        ?         
1 1 1 27 5  1  o 7.36747  0.0594383 54.2841      0.87582  55.0389      1.23673  53.5248      1.24047  7.41821  0.083358  7.31544  0.0847842 
1 1 1 27 5  2  o 9.75141  0.0715584 95.1012      1.39559  94.2471      1.95982  95.9799      1.9878   9.70693  0.10095   9.79575  0.101462  
1 1 1 27 5  3  o 25.4962  0.183668  650.542      9.36568  657.26       13.2036  643.738      13.2869  25.6179  0.257703  25.3523  0.262045  
1 1 1 27 5  4  o 15.6822  0.113754  245.997      3.56782  245.609      5.04062  246.386      5.05071  15.6676  0.160861  15.6924  0.160929  
1 1 1 27 5  5  o 6.86127  0.0592232 47.0803      0.812693 48.458       1.16642  45.7804      1.13295  6.96069  0.0837861 6.76565  0.0837285 
1 1 1 27 5  6  o 17.4788  0.127705  305.597      4.46425  306.002      6.24726  305.176      6.3817   17.4877  0.178618  17.4639  0.182711  
1 1 1 27 5  7  o 28.4586  0.197945  810.425      11.2665  823.14       15.8232  797.35       16.0456  28.6717  0.275937  28.2179  0.284316  
1 1 1 27 5  8  o 13.3017  0.09355   176.96       2.48876  179.522      3.60485  174.627      3.44019  13.3967  0.134543  13.2129  0.130183  
1 1 1 27 5  9  o 12.0651  0.0865406 145.583      2.08824  145.052      2.91952  146.139      2.98813  12.0424  0.121218  12.0874  0.123605  
1 1 1 27 5  10 o 10.0107  0.0774098 100.223      1.54986  101.587      2.19405  98.865       2.18961  10.0781  0.108852  9.94218  0.110117  
1 1 1 27 5  11 o 5.4918   0.0654172 30.1618      0.718517 28.9902      0.960709 31.6491      1.08242  5.38393  0.0892201 5.62535  0.0962087 
1 1 1 27 5  12 o 16.1871  0.11302   262.072      3.65891  256.703      5.1437   267.571      5.20584  16.0188  0.160552  16.3544  0.159157  
1 1 1 27 5  13 o 1.12639  0.21558   1.31216      0.468335 1.29348      0.661953 1.33088      0.662699 1.11618  0.292859  1.13137  0.291214  
1 1 1 27 5  14 o 16.7225  0.118368  279.719      3.95883  279.842      5.61174  279.597      5.58561  16.7239  0.167776  16.7166  0.167068  
1 1 1 27 5  15 o 16.5259  0.120259  273.188      3.97478  279.145      5.85806  268.106      5.4109   16.7022  0.175367  16.3693  0.165276  
1 1 1 27 5  16 o 10.5753  0.088078  111.856      1.8629   109.921      2.55649  114.046      2.72021  10.4826  0.121939  10.6773  0.127383  
1 1 1 27 5  17 o 19.0676  0.144549  363.757      5.51241  368.644      7.87563  359.064      7.71821  19.1902  0.205199  18.9394  0.203761  
1 1 1 27 5  18 o 11.7924  0.100194  139.1        2.36307  135.78       3.46037  142.002      3.2348   11.6489  0.148528  11.9134  0.135763  
1 1 1 27 5  19 o 1.8669   0.211559  3.49021      0.789919 3.62631      1.13028  3.36028      1.1044   1.90164  0.297186  1.83048  0.301668  
1 1 1 27 5  20 o 6.69771  0.0936411 44.8747      1.25436  41.351       1.67385  49.3883      1.89442  6.42832  0.130194  7.02515  0.134831  
1 1 1 27 5  21 o 5.08439  0.0972859 25.8629      0.989279 25.5156      1.36636  26.2457      1.4342   5.04904  0.135309  5.1206   0.140042  
1 1 1 27 5  22 o 6.93062  0.0841342 48.0532      1.1662   49.0941      1.63536  46.9761      1.66353  7.00394  0.116745  6.85098  0.121408  
1 1 1 27 5  23 o 7.19728  0.0859299 51.8276      1.23692  53.1007      1.72831  50.4907      1.77102  7.2834   0.118647  7.10178  0.124688  
1 1 1 27 5  24 o 1.2304   0.32008   1.58463      0.795025 0.586456     1.10502  2.6558       1.1447   0.984482 0.385918  1.58905  0.367267  
1 1 1 27 5  25 o 3.02734  0.139342  9.18431      0.843673 8.80164      1.19682  9.56231      1.18948  2.96013  0.202156  3.08602  0.192721  
1 1 1 27 5  26 o 3.98169  0.11671   15.8824      0.92941  17.6758      1.32229  14.1312      1.30662  4.19739  0.157513  3.75165  0.17414   
1 1 1 27 5  27 o 7.25679  0.0935687 52.732       1.35802  50.8303      1.97799  54.4277      1.8678   7.11884  0.138926  7.3683   0.126745  
1 1 1 27 5  28 o 0.841588 0.331252  0.426472     0.816788 -0.888715    1.16365  1.70377      1.14676  0.735144 0.339026  1.28756  0.401955  
1 1 1 27 5  29 o 3.7601   0.122907  14.1837      0.924285 15.8312      1.34427  12.7064      1.27292  3.96688  0.169437  3.55263  0.179152  
1 1 1 27 5  30 o 4.577    0.112636  21.0174      1.03106  20.3609      1.44104  21.7061      1.47588  4.49753  0.160203  4.64396  0.158903  
1 1 1 27 5  31 f 3.46821  0.13746   12.0973      0.953477 12.192       1.31617  11.9927      1.38316  3.47291  0.189491  3.44211  0.200917  
1 1 1 27 5  32 o 5.74093  0.107825  33.0965      1.23803  34.3715      1.72092  31.7288      1.78239  5.83979  0.147344  5.60721  0.158937  
1 1 1 27 5  33 o 2.937    0.165264  8.71744      0.970761 9.90043      1.3535   7.46425      1.39308  3.11807  0.217041  2.69733  0.258234  
1 1 1 27 5  34 o 0.813766 0.336836  0.255657     0.894315 -0.747951    1.17566  1.63393      1.37774  0.745649 0.342615  1.26397  0.441607  
1 1 1 27 5  35 o 1.28836  0.342307  1.83141      0.897245 1.46581      1.27396  2.19125      1.2639   1.19869  0.424068  1.39685  0.419203  
1 1 1 27 5  36 o 0.850297 0.343544  0.42565      0.904916 1.04711      1.26892  -0.217485    1.29085  1.08875  0.416481  0.854231 0.378738  
1 1 1 27 5  37 o 1.75514  0.289386  3.27358      1.01582  4.18322      1.4001   2.26252      1.47609  1.92066  0.37795   1.39444  0.458034  
1 1 1 27 5  38 o 0.636167 0.300801  -1.0183      1.02164  -0.0192769   1.39891  -2.16017     1.49557  0.902757 0.398019  0.697733 0.338973  
1 1 1 27 5  39 o 0.760616 0.338892  -0.155839    1.04777  -0.447007    1.5903   0.0674982    1.3928   0.882247 0.402534  0.899661 0.396837  
1 1 1 27 5  40 o 1.53609  0.335995  2.77021      1.00386  3.20489      1.38843  2.29409      1.45311  1.58525  0.427929  1.33353  0.454454  
1 1 1 27 5  41 o 1.78512  0.287021  3.60306      1.02473  2.62924      1.41226  4.68584      1.48917  1.37917  0.448022  1.9133   0.401928  
1 1 1 27 5  42 o 1.06144  0.378875  1.45352      1.01892  0.490289     1.41543  2.48956      1.46794  0.902135 0.398713  1.29193  0.455397  
1 1 1 27 5  43 o 0.822956 0.358207  0.585092     1.10234  -0.75037     1.51235  2.09886      1.61014  0.735972 0.353598  1.11126  0.454864  
1 1 1 27 5  44 o 0.764412 0.348551  0.413333     1.18828  -1.9882      1.69991  2.70811      1.66169  0.652181 0.324953  1.1169   0.46045   
1 1 1 27 5  45 f 0.934615 0.393503  1.64733      1.25395  1.40522      1.72913  1.91588      1.82114  0.878673 0.408282  0.93009  0.426967  
1 1 1 27 6  0  o 3.57017  0.0790223 12.7657      0.563622 12.7657      0.563622 12.7657      0.563622 3.57154  0.0558247 ?        ?         
1 1 1 27 6  1  o 22.256   0.150014  495.572      6.67745  502.916      9.67914  488.902      9.22397  22.4143  0.215914  22.1006  0.208682  
1 1 1 27 6  2  o 7.14674  0.070586  51.0812      1.00892  55.2347      1.62336  48.4671      1.28785  7.43106  0.109228  6.9612   0.092502  
1 1 1 27 6  3  o 18.2572  0.128108  333.436      4.67778  338.183      6.69979  328.922      6.53408  18.3835  0.182223  18.1302  0.180199  
1 1 1 27 6  4  o 17.1194  0.115437  293.15       3.95242  296.025      5.6429   290.381      5.53772  17.2008  0.16403   17.0362  0.162528  
1 1 1 27 6  5  o 28.3172  0.19432   802.41       11.0052  812.169      15.5758  792.681      15.5516  28.479   0.273461  28.1348  0.276377  
1 1 1 27 6  6  f 23.1305  0.159482  535.251      7.37781  531.506      10.252   539.275      10.6256  23.0446  0.222439  23.2118  0.228883  
1 1 1 27 6  7  o 20.49    0.14201   419.973      5.81956  423.058      8.38148  417.101      8.08665  20.5615  0.203815  20.4166  0.198041  
1 1 1 27 6  8  o 10.6875  0.0808333 114.235      1.72782  114.772      2.40655  113.662      2.48221  10.7122  0.112328  10.6602  0.116425  
1 1 1 27 6  9  o 17.3289  0.123183  300.358      4.26927  298.094      5.87251  302.896      6.21757  17.2617  0.170103  17.3998  0.178668  
1 1 1 27 6  10 o 7.7135   0.0684818 59.5023      1.05647  58.9616      1.51157  60.0186      1.47717  7.67808  0.0984341 7.74664  0.0953427 
1 1 1 27 6  11 o 16.8435  0.119452  283.764      4.02398  281.312      5.59049  286.401      5.79663  16.7688  0.166693  16.9196  0.1713    
1 1 1 27 6  12 f 9.70809  0.0880186 94.2587      1.70899  97.9299      2.38897  90.4107      2.44577  9.89478  0.120719  9.50718  0.128628  
1 1 1 27 6  13 o 7.945    0.0750724 63.1293      1.1929   61.233       1.69101  65.0078      1.68305  7.82432  0.108061  8.06195  0.104382  
1 1 1 27 6  14 o 24.3685  0.173239  594.187      8.44318  590.189      12.0057  598.099      11.8762  24.2787  0.247248  24.4414  0.242953  
1 1 1 27 6  15 o 9.87215  0.079935  97.4726      1.57826  100.786      2.31299  94.5856      2.15896  10.0378  0.115214  9.72423  0.111009  
1 1 1 27 6  16 o 6.19747  0.081643  38.4144      1.01196  37.9961      1.37263  38.9124      1.49781  6.16323  0.111356  6.23696  0.120075  
1 1 1 27 6  17 o 1.65432  0.206661  2.73974      0.683769 3.4837       0.952507 1.94873      0.982166 1.86492  0.255375  1.36832  0.355671  
1 1 1 27 6  18 o 6.00138  0.0854395 36.0241      1.02551  37.3596      1.50611  34.8698      1.40024  6.11091  0.123232  5.90386  0.118587  
1 1 1 27 6  19 o 4.32156  0.105066  18.6827      0.908097 18.5654      1.2866   18.7992      1.2819   4.30716  0.149356  4.33423  0.147881  
1 1 1 27 6  20 o 5.75504  0.0932181 33.1327      1.07295  31.2456      1.49209  35.1534      1.544    5.58764  0.133517  5.92687  0.130254  
1 1 1 27 6  21 o 11.0793  0.0993714 122.813      2.20193  126.076      3.09727  119.479      3.13102  11.2229  0.137989  10.9249  0.143297  
1 1 1 27 6  22 o 11.2699  0.0956244 127.082      2.15536  126.899      2.95639  127.29       3.14901  11.259   0.13129   11.2756  0.139639  
1 1 1 27 6  23 o 4.82064  0.0942733 23.2538      0.908916 23.6351      1.28029  22.8663      1.29057  4.85845  0.131759  4.77863  0.135036  
1 1 1 27 6  24 o 9.84804  0.0930635 97.0642      1.83299  97.7361      2.61446  96.4146      2.57057  9.87793  0.132338  9.81109  0.131003  
1 1 1 27 6  25 o 6.51921  0.0884024 42.5377      1.15263  43.0338      1.64747  42.0621      1.61319  6.55414  0.125682  6.47983  0.124478  
1 1 1 27 6  26 o 3.28345  0.133851  10.8076      0.878984 12.3065      1.24571  9.32138      1.24044  3.50043  0.177937  3.0444   0.203725  
1 1 1 27 6  27 o 0.757193 0.318201  0.0871899    0.817393 0.19935      1.2335   -0.000622152 1.09143  0.939102 0.392569  0.849396 0.362734  
1 1 1 27 6  28 o 0.606194 0.280475  -0.660607    0.804921 -0.203197    1.14476  -1.10788     1.13201  0.831477 0.363452  0.693366 0.32487   
1 1 1 27 6  29 o 3.02465  0.144685  9.19059      0.875244 8.34277      1.25025  10.0054      1.22568  2.87357  0.217544  3.15014  0.194543  
1 1 1 27 6  30 o 1.80968  0.240411  3.32598      0.870137 3.55309      1.19592  3.0705       1.26839  1.82991  0.3395    1.68767  0.38427   
1 1 1 27 6  31 o 4.927    0.109343  24.3655      1.07746  22.9997      1.50978  25.7832      1.53815  4.7772   0.158019  5.05949  0.152006  
1 1 1 27 6  32 o 1.31162  0.341909  1.85839      0.905979 0.957858     1.28163  2.75785      1.28086  1.09635  0.418802  1.5847   0.403072  
1 1 1 27 6  33 o 0.953575 0.355569  0.762664     0.9088   0.855733     1.24018  0.654722     1.3356   1.05988  0.410194  1.04108  0.418711  
1 1 1 27 6  34 o 2.81518  0.165476  8.03331      0.93169  8.89707      1.25448  6.9708       1.39134  2.94999  0.212625  2.5945   0.268133  
1 1 1 27 6  35 o 2.32145  0.201444  5.51437      0.935286 7.57555      1.34148  3.56473      1.30468  2.70498  0.247965  1.78795  0.376662  
1 1 1 27 6  36 o 0.9673   0.359095  0.849524     0.92488  1.24344      1.29671  0.441619     1.31954  1.13891  0.424718  0.97362  0.406451  
1 1 1 27 6  37 o 2.69528  0.188838  7.45973      1.01794  7.09929      1.40621  7.85654      1.47546  2.59361  0.271091  2.72883  0.270346  
1 1 1 27 6  38 o 1.07219  0.379171  1.21784      1.0184   1.08075      1.41154  1.36667      1.47075  1.09882  0.434522  1.16701  0.447811  
1 1 1 27 6  39 o 1.55417  0.349344  2.81872      1.05939  3.95021      1.57088  1.87483      1.43477  1.77507  0.443332  1.25312  0.44936   
1 1 1 27 6  40 o 1.59436  0.325111  2.95866      1.00077  3.59376      1.37524  2.24375      1.45909  1.6927   0.409983  1.31617  0.454971  
1 1 1 27 6  41 o 0.701431 0.321038  -0.31839     1.02106  1.76042      1.39082  -2.74864     1.5038   1.16021  0.43829   0.628274 0.312005  
1 1 1 27 6  42 o 0.792377 0.341346  0.366803     0.981606 0.828557     1.37714  -0.110094    1.39954  0.945529 0.405737  0.814011 0.373938  
1 1 1 27 6  43 o 0.703578 0.32726   -0.189175    1.1146   0.179531     1.58884  -0.546454    1.56402  0.834536 0.389157  0.760053 0.363812  
1 1 1 27 6  44 o 0.76573  0.349475  0.467884     1.2004   0.871955     1.74575  0.105489     1.65327  0.855321 0.401233  0.77904  0.373176  
1 1 1 27 6  45 o 0.651521 0.314224  -0.362876    1.22283  0.513244     1.67392  -1.36549     1.79068  0.781127 0.374494  0.668988 0.333354  
1 1 1 27 7  0  o 20.2622  0.200436  410.841      8.12076  410.841      8.12076  410.841      8.12076  20.2657  0.14169   ?        ?         
1 1 1 27 7  1  o 18.1143  0.128652  328.234      4.66089  331.422      6.57515  325.013      6.60796  18.1991  0.180645  18.0221  0.18333   
1 1 1 27 7  2  o 29.0929  0.204165  847.07       11.8795  849.849      17.0587  844.454      16.5531  29.1278  0.292824  29.0365  0.285039  
1 1 1 27 7  3  o 10.358   0.0746997 107.299      1.54748  108.006      2.22924  106.642      2.14985  10.3914  0.107263  10.3257  0.104102  
1 1 1 27 7  4  o 9.32446  0.0691887 86.9529      1.29029  86.4292      1.83911  87.4606      1.81073  9.29591  0.0989203 9.35124  0.0968174 
1 1 1 27 7  5  o 19.4983  0.136641  380.304      5.32852  382.993      7.58821  377.687      7.48421  19.5639  0.193934  19.428   0.192614  
1 1 1 27 7  6  o 8.69309  0.068742  75.5755      1.19516  78.2863      1.73928  73.1504      1.64508  8.84726  0.0982946 8.55216  0.0961793 
1 1 1 27 7  7  o 28.3095  0.198901  801.902      11.2616  800.269      16.0798  803.475      15.7772  28.2717  0.28438   28.3289  0.278463  
1 1 1 27 7  8  o 5.49939  0.0600949 30.2449      0.660971 30.1199      0.985131 30.3472      0.891391 5.48783  0.0897559 5.50856  0.0809096 
1 1 1 27 7  9  o 20.244   0.144233  409.946      5.8397   406.012      8.09898  414.206      8.42801  20.1436  0.201031  20.3455  0.207123  
1 1 1 27 7  10 o 3.91402  0.0708745 15.3207      0.554808 16.0596      0.787964 14.5942      0.781313 4.00714  0.09832   3.81994  0.102268  
1 1 1 27 7  11 o 8.83157  0.0701104 78.0024      1.23837  79.9834      1.79537  76.2046      1.71036  8.94265  0.100382  8.72888  0.0979714 
1 1 1 27 7  12 o 10.0195  0.0820483 100.402      1.64417  100.41       2.39551  100.396      2.26076  10.0192  0.119546  10.0187  0.112827  
1 1 1 27 7  13 f 1.95259  0.131787  3.81385      0.514652 3.29126      0.727319 4.33791      0.728337 1.81348  0.200531  2.08215  0.1749    
1 1 1 27 7  14 o 9.40528  0.0778788 88.4703      1.46494  91.2819      2.11859  85.8943      2.02787  9.55294  0.110887  9.26677  0.109416  
1 1 1 27 7  15 o 3.8284   0.0821582 14.6588      0.629069 13.8287      0.863678 15.5967      0.918087 3.71815  0.116144  3.94869  0.116252  
1 1 1 27 7  16 o 12.7528  0.106241  162.676      2.70973  160.715      3.69109  164.969      3.99071  12.6742  0.145615  12.8403  0.155397  
1 1 1 27 7  17 o 16.8299  0.123363  283.358      4.15236  287.408      5.9374   279.482      5.80934  16.9462  0.175184  16.711   0.173818  
1 1 1 27 7  18 o 13.9686  0.116423  195.2        3.25253  197.673      4.65444  192.84       4.54698  14.0538  0.165593  13.8811  0.163783  
1 1 1 27 7  19 o 5.56854  0.0930872 31.0183      1.03672  31.4063      1.42877  30.5868      1.50661  5.6025   0.127512  5.52869  0.136254  
1 1 1 27 7  20 o 3.47522  0.124182  12.0855      0.863121 11.4885      1.18203  12.7675      1.26329  3.38711  0.174489  3.57061  0.176901  
1 1 1 27 7  21 o 18.8004  0.141603  353.84       5.32439  352.48       7.46618  355.248      7.59512  18.7545  0.19905   18.8275  0.201703  
1 1 1 27 7  22 o 4.33119  0.1035    18.772       0.896558 17.9615      1.27264  19.5707      1.26327  4.23501  0.150252  4.42096  0.142872  
1 1 1 27 7  23 o 4.50225  0.0995315 20.2859      0.896231 20.4106      1.2862   20.1681      1.24952  4.5142   0.142462  4.48747  0.139223  
1 1 1 27 7  24 o 5.24682  0.0957939 27.5551      1.00523  28.3141      1.3869   26.7151      1.45905  5.31649  0.130434  5.16342  0.141288  
1 1 1 27 7  25 o 3.53967  0.119316  12.5503      0.84468  12.7366      1.18668  12.359       1.2026   3.56299  0.166528  3.50943  0.171338  
1 1 1 27 7  26 o 3.62391  0.128447  13.1635      0.930959 12.8248      1.30503  13.5145      1.32844  3.57268  0.18264   3.66763  0.181103  
1 1 1 27 7  27 o 3.02684  0.139979  9.19192      0.847388 9.28478      1.22703  9.10725      1.17166  3.03662  0.202039  3.00818  0.194745  
1 1 1 27 7  28 f 4.38451  0.113987  19.2736      0.99955  21.3472      1.46134  17.4507      1.37021  4.60882  0.158537  4.16624  0.164442  
1 1 1 27 7  29 o 0.996627 0.336581  0.956381     0.797072 0.644091     1.12752  1.26835      1.12694  0.994707 0.389848  1.15542  0.399803  
1 1 1 27 7  30 o 1.8196   0.240553  3.3644       0.875421 2.52233      1.1831   4.3833       1.3014   1.52773  0.386671  2.06547  0.315038  
1 1 1 27 7  31 o 1.85122  0.230624  3.48527      0.85387  4.83802      1.24368  2.27901      1.17441  2.17092  0.28644   1.44894  0.39466   
1 1 1 27 7  32 o 2.50417  0.190689  6.35263      0.955036 6.5123       1.36868  6.20112      1.33327  2.51851  0.271723  2.45772  0.271241  
1 1 1 27 7  33 o 1.45828  0.326937  2.2985       0.929839 2.55737      1.22964  1.95278      1.421    1.52309  0.398929  1.35861  0.449406  
1 1 1 27 7  34 o 2.13493  0.211207  4.66021      0.901824 5.19778      1.22179  4.01679      1.33668  2.23844  0.272911  1.916    0.362024  
1 1 1 27 7  35 o 2.84239  0.169485  8.21412      0.963484 7.31625      1.3618   9.11402      1.36334  2.65444  0.256514  2.97375  0.22923   
1 1 1 27 7  36 o 2.2294   0.219676  5.12906      0.979493 5.70954      1.35186  4.48753      1.42116  2.32509  0.290711  2.00574  0.368012  
1 1 1 27 7  37 o 4.36442  0.133     19.304       1.16093  17.8895      1.59187  20.911       1.69677  4.17229  0.190767  4.51265  0.188001  
1 1 1 27 7  38 o 0.76505  0.337268  -0.0879163   1.00409  -1.24375     1.41855  1.07266      1.42146  0.753134 0.355458  1.09813  0.435478  
1 1 1 27 7  39 o 0.905606 0.364218  0.651494     1.01056  0.12391      1.46137  1.13498      1.39896  0.917839 0.40546   1.08102  0.43097   
1 1 1 27 7  40 o 1.18954  0.368105  1.71727      0.964586 2.23082      1.31479  1.11868      1.41948  1.31635  0.432285  1.06095  0.429604  
1 1 1 27 7  41 o 0.675497 0.313576  -0.469893    1.01689  0.098159     1.39433  -1.11533     1.48627  0.85543  0.385666  0.741835 0.354986  
1 1 1 27 7  42 o 1.18737  0.375159  1.90665      0.995224 1.77725      1.39772  2.03971      1.41741  1.1166   0.434782  1.17348  0.442708  
1 1 1 27 7  43 o 1.05046  0.397104  1.6779       1.14237  1.67063      1.65098  1.68457      1.58231  1.02713  0.442585  1.03042  0.438292  
1 1 1 27 7  44 o 0.712362 0.332975  0.130753     1.17194  -1.42105     1.67866  1.60627      1.63688  0.667954 0.331428  0.925807 0.417605  
1 1 1 27 7  45 o 0.788821 0.358     0.908753     1.22179  0.944821     1.68885  0.869148     1.76974  0.803235 0.382936  0.799155 0.383603  
1 1 1 27 8  0  o 13.7247  0.145796  188.467      4.00099  188.467      4.00099  188.467      4.00099  13.7265  0.103066  ?        ?         
1 1 1 27 8  1  o 17.6791  0.127525  312.641      4.50904  319.263      6.35233  305.916      6.40145  17.8628  0.177809  17.4851  0.183055  
1 1 1 27 8  2  o 32.7765  0.221891  1075.23      14.5456  1086.46      20.7758  1064.43      20.3713  32.9322  0.315433  32.597   0.312471  
1 1 1 27 8  3  o 7.35324  0.0661985 54.0741      0.973547 53.8394      1.38943  54.3005      1.36452  7.33696  0.094687  7.36834  0.0925931 
1 1 1 27 8  4  o 21.5939  0.152423  466.475      6.58281  469.571      9.47762  463.589      9.15003  21.6609  0.218773  21.523   0.212564  
1 1 1 27 8  5  o 12.8695  0.0953891 165.649      2.45523  165.063      3.5505   166.185      3.3989   12.8457  0.138198  12.8895  0.131847  
1 1 1 27 8  6  o 18.9545  0.131864  359.367      4.99886  360.759      7.02628  357.941      7.11342  18.9887  0.185012  18.9143  0.188044  
1 1 1 27 8  7  o 10.4496  0.0857401 109.206      1.7919   111.156      2.58436  107.4        2.48672  10.5419  0.122576  10.3623  0.119989  
1 1 1 27 8  8  o 10.5404  0.0803918 111.111      1.69473  108.745      2.36073  113.627      2.43438  10.4271  0.113202  10.6585  0.114199  
1 1 1 27 8  9  o 18.3719  0.127393  337.608      4.68091  331.07       6.50418  344.632      6.74184  18.1909  0.178776  18.5596  0.181627  
1 1 1 27 8  10 o 8.41126  0.070426  70.7545      1.18474  71.2891      1.71356  70.265       1.63983  8.44262  0.101483  8.38181  0.0978207 
1 1 1 27 8  11 o 25.3899  0.171948  644.951      8.73146  644.119      12.2094  645.822      12.4917  25.3675  0.240651  25.4004  0.245896  
1 1 1 27 8  12 o 6.54228  0.0722171 42.8054      0.944928 40.1625      1.27332  46.0449      1.40973  6.33681  0.10047   6.78498  0.103886  
1 1 1 27 8  13 o 6.6034   0.0662725 43.6088      0.875248 42.8422      1.21632  44.4319      1.26044  6.54483  0.0929219 6.66513  0.0945548 
1 1 1 27 8  14 o 4.97345  0.072793  24.738       0.724065 24.0814      1.02497  25.392       1.02299  4.90671  0.104446  5.0385   0.101518  
1 1 1 27 8  15 o 5.79296  0.0759172 33.5627      0.879571 33.524       1.25473  33.6001      1.23335  5.78924  0.108368  5.79583  0.1064    
1 1 1 27 8  16 o 6.38447  0.0833424 40.7684      1.06419  40.9293      1.4886   40.6003      1.52195  6.39652  0.11636   6.37071  0.119449  
1 1 1 27 8  17 o 6.57376  0.0820673 43.2224      1.07898  44.2621      1.50218  42.1143      1.5508   6.65179  0.112916  6.48826  0.119508  
1 1 1 27 8  18 o 2.02521  0.191459  4.1062       0.775487 3.83729      1.07394  4.39919      1.12098  1.95658  0.274443  2.09506  0.267529  
1 1 1 27 8  19 o 10.1285  0.0949461 102.622      1.92332  104.262      2.64305  100.776      2.80406  10.2075  0.129466  10.0349  0.139715  
1 1 1 27 8  20 o 9.96278  0.0913787 99.2966      1.82077  99.4182      2.52669  99.1652      2.62611  9.96702  0.126752  9.95402  0.131912  
1 1 1 27 8  21 o 7.4989   0.0883745 56.2584      1.32542  59.0966      1.93203  53.7351      1.8217   7.68399  0.125718  7.32722  0.12431   
1 1 1 27 8  22 o 9.9988   0.0903313 100.031      1.80641  100.855      2.61778  99.2819      2.49588  10.0368  0.130408  9.9587   0.125312  
1 1 1 27 8  23 o 3.35015  0.125018  11.2382      0.837656 10.6943      1.15311  11.8458      1.21887  3.26593  0.176536  3.43723  0.177305  
1 1 1 27 8  24 o 4.87696  0.0962106 23.8082      0.93843  23.4294      1.33484  24.1783      1.31957  4.83552  0.138024  4.91246  0.134309  
1 1 1 27 8  25 o 2.22636  0.183782  4.9775       0.818328 5.13495      1.12537  4.80082      1.19209  2.25731  0.249272  2.18094  0.273297  
1 1 1 27 8  26 o 2.691    0.155571  7.26722      0.837281 5.8735       1.17666  8.69672      1.19167  2.41293  0.243825  2.94009  0.202659  
1 1 1 27 8  27 o 3.31938  0.130233  11.0511      0.864585 11.5755      1.23996  10.555       1.20616  3.39227  0.182762  3.23892  0.186198  
1 1 1 27 8  28 o 5.25363  0.100376  27.6573      1.05467  27.5291      1.5025   27.7819      1.48079  5.23589  0.143481  5.26028  0.140752  
1 1 1 27 8  29 o 2.9383   0.143318  8.67581      0.842224 8.52037      1.20234  8.82556      1.18014  2.9042   0.207001  2.95681  0.199563  
1 1 1 27 8  30 o 3.88354  0.127037  15.1517      0.986707 13.3171      1.29912  17.6528      1.51688  3.63276  0.178806  4.18198  0.181359  
1 1 1 27 8  31 o 1.14066  0.342351  1.37031      0.842932 0.240821     1.19515  2.48828      1.18904  0.921869 0.385961  1.51094  0.390687  
1 1 1 27 8  32 o 3.42892  0.147944  11.8497      1.01458  10.8532      1.42663  12.8694      1.44317  3.26635  0.218382  3.56102  0.202634  
1 1 1 27 8  33 o 0.763274 0.327919  0.000439449  0.901414 -0.624789    1.18582  0.856233     1.38735  0.769713 0.350221  1.09444  0.431417  
1 1 1 27 8  34 o 3.00689  0.155932  9.15317      0.93774  9.42216      1.30094  8.86225      1.35292  3.03427  0.214374  2.93757  0.230278  
1 1 1 27 8  35 o 1.04153  0.358531  1.10081      0.905276 1.10675      1.28098  1.09488      1.27953  1.10932  0.420168  1.10622  0.419655  
1 1 1 27 8  36 o 2.15489  0.229049  4.81076      0.987152 4.74483      1.36064  4.88403      1.43436  2.10409  0.323333  2.12862  0.336923  
1 1 1 27 8  37 o 3.7109   0.14847   14.003       1.10192  14.4961      1.51591  13.4506      1.60456  3.74914  0.202168  3.59967  0.222876  
1 1 1 27 8  38 o 0.94775  0.365892  0.785256     0.985486 1.19423      1.3992   0.382669     1.38824  1.11867  0.435131  0.960842 0.409671  
1 1 1 27 8  39 o 0.858378 0.3561    0.459679     1.00305  0.0853195    1.43232  0.819954     1.40512  0.902508 0.399698  1.0179   0.421824  
1 1 1 27 8  40 o 0.554015 0.269543  -1.39099     0.951664 -0.226882    1.31888  -2.65546     1.37456  0.815142 0.370479  0.60438  0.299887  
1 1 1 27 8  41 o 1.68304  0.322503  3.42402      1.04685  3.6276       1.4067   3.17134      1.56721  1.62285  0.427437  1.45816  0.471807  
1 1 1 27 8  42 o 0.8149   0.350582  0.491948     1.0328   1.14985      1.47802  -0.135829    1.44378  0.987683 0.421962  0.804914 0.37365   
1 1 1 27 8  43 o 0.73332  0.3348    0.0698733    1.10278  0.0180842    1.59797  0.116966     1.5238   0.813763 0.382123  0.813667 0.380078  
1 1 1 27 8  44 o 0.540811 0.268938  -1.61979     1.13661  -1.31929     1.63342  -1.9019      1.58262  0.661348 0.327884  0.620362 0.30972   
1 1 1 27 8  45 o 0.591303 0.291239  -0.818937    1.21695  -1.46232     1.67093  -0.0921773   1.7759   0.620919 0.310917  0.705862 0.347988  
1 1 1 27 9  0  o 14.0194  0.138659  196.634      3.88697  196.634      3.88697  196.634      3.88697  14.021   0.0980246 ?        ?         
1 1 1 27 9  1  o 25.5458  0.173587  652.912      8.86881  656.046      12.5985  649.832      12.487   25.6003  0.246062  25.4789  0.245046  
1 1 1 27 9  2  f 31.2575  0.214151  977.765      13.3877  980.907      19.1888  974.785      18.6872  31.295   0.306578  31.1983  0.299491  
1 1 1 27 9  3  o 13.608   0.0988999 185.205      2.69165  185.34       3.85784  185.077      3.75729  13.6118  0.14171   13.6022  0.138113  
1 1 1 27 9  4  o 27.5787  0.193758  761.024      10.6872  760.759      15.2902  761.277      14.9437  27.5653  0.277345  27.5754  0.270961  
1 1 1 27 9  5  o 9.27546  0.0734258 86.0411      1.36212  86.1992      1.97718  85.8982      1.8792   9.28356  0.106488  9.26741  0.101388  
1 1 1 27 9  6  o 21.0468  0.147522  443.11       6.20975  442.4        8.78011  443.82       8.78373  21.0265  0.208787  21.0602  0.208539  
1 1 1 27 9  7  f 8.83207  0.0750494 78.0119      1.32568  80.3352      1.90178  75.8158      1.84894  8.96223  0.1061    8.70649  0.106181  
1 1 1 27 9  8  o 5.03109  0.0578691 25.3131      0.582289 24.3685      0.823788 26.2562      0.823175 4.93619  0.0834437 5.12383  0.0803281 
1 1 1 27 9  9  o 25.0613  0.167505  628.333      8.39577  622.347      11.7731  634.528      11.9763  24.9362  0.236064  25.1789  0.237825  
1 1 1 27 9  10 o 25.9733  0.175931  674.937      9.139    673.518      13.0476  676.304      12.8048  25.9392  0.251504  25.9933  0.246309  
1 1 1 27 9  11 o 23.8033  0.1631    566.856      7.76464  567.543      10.9992  566.173      10.9627  23.8121  0.230957  23.7834  0.230469  
1 1 1 27 9  12 o 1.47498  0.166684  2.17674      0.491713 1.48855      0.701655 2.84086      0.689285 1.1953   0.294932  1.68481  0.204559  
1 1 1 27 9  13 o 13.5271  0.0977304 183.019      2.64403  185.475      3.74411  180.577      3.73434  13.6163  0.137487  13.4352  0.138976  
1 1 1 27 9  14 o 3.11725  0.094506  9.71914      0.589198 9.36232      0.81108  10.1178      0.857348 3.05921  0.132564  3.18023  0.134794  
1 1 1 27 9  15 o 5.69769  0.077437  32.4682      0.882424 32.0828      1.23655  32.8682      1.25965  5.66338  0.10917   5.73228  0.109873  
1 1 1 27 9  16 o 11.2705  0.092043  127.052      2.07474  128.649      2.99691  125.583      2.87513  11.3398  0.132142  11.204   0.128309  
1 1 1 27 9  17 o 6.19691  0.0886901 38.4105      1.09921  38.1739      1.51021  38.6769      1.60297  6.17716  0.122241  6.21757  0.128906  
1 1 1 27 9  18 o 9.67354  0.093659  93.605       1.81203  94.653       2.56264  92.5571      2.56255  9.72613  0.13174   9.61778  0.13322   
1 1 1 27 9  19 o 6.7031   0.0920379 44.9476      1.23388  48.8889      1.75602  41.104       1.73412  6.9897   0.125615  6.40873  0.135294  
1 1 1 27 9  20 o 11.7376  0.0977017 137.839      2.29357  138.418      3.32962  137.316      3.16392  11.7591  0.141576  11.7128  0.135063  
1 1 1 27 9  21 o 5.11838  0.0930227 26.2114      0.952252 26.9915      1.32789  25.3855      1.3663   5.19279  0.127859  5.03562  0.135664  
1 1 1 27 9  22 o 5.67704  0.0864251 32.246       0.981278 29.8564      1.34577  34.9588      1.43389  5.4611   0.123214  5.90945  0.121322  
1 1 1 27 9  23 o 7.02364  0.0894191 49.3673      1.2561   49.2526      1.80987  49.4739      1.74469  7.01273  0.129042  7.02886  0.124109  
1 1 1 27 9  24 f 3.30973  0.12373   10.9728      0.819025 12.3659      1.16184  9.59666      1.15475  3.51123  0.165446  3.09192  0.186737  
1 1 1 27 9  25 f 5.03276  0.101921  25.3633      1.02589  26.7692      1.43443  23.8912      1.46781  5.16735  0.138797  4.8806   0.150372  
1 1 1 27 9  26 o 3.08145  0.130811  9.52015      0.806176 10.101       1.12975  8.91754      1.15075  3.17044  0.178169  2.97765  0.193231  
1 1 1 27 9  27 o 1.79242  0.219891  3.24123      0.788273 2.1933       1.13032  4.23345      1.09987  1.43655  0.385357  2.04398  0.269052  
1 1 1 27 9  28 o 5.03935  0.100782  25.4491      1.01575  25.4551      1.469    25.4436      1.40605  5.03418  0.145902  5.03396  0.139657  
1 1 1 27 9  29 o 0.827321 0.327087  0.407009     0.799666 1.39495      1.13423  -0.569394    1.12759  1.19042  0.401507  0.762397 0.345103  
1 1 1 27 9  30 o 1.11923  0.3382    1.3093       0.820754 1.27972      1.12324  1.3432       1.20223  1.15208  0.399098  1.18273  0.412587  
1 1 1 27 9  31 o 2.37177  0.19095   5.69632      0.905778 3.60117      1.27879  7.80574      1.28314  1.82784  0.362701  2.76802  0.23178   
1 1 1 27 9  32 o 4.22679  0.123994  17.968       1.04819  16.8944      1.46323  19.0996      1.50227  4.08581  0.179062  4.34606  0.172831  
1 1 1 27 9  33 o 3.05219  0.159549  9.41777      0.973946 10.3274      1.30624  8.27901      1.46155  3.18479  0.205074  2.83691  0.257595  
1 1 1 27 9  34 o 1.20462  0.344647  1.58525      0.872602 0.331297     1.20126  2.98606      1.26967  0.928057 0.387643  1.63244  0.393022  
1 1 1 27 9  35 o 2.39246  0.197782  5.85925      0.946369 5.16628      1.3204   6.59127      1.35709  2.2139   0.298207  2.51225  0.270095  
1 1 1 27 9  36 o 3.4827   0.151084  12.3276      1.05236  13.661       1.44752  10.8328      1.53264  3.64505  0.19856   3.2269   0.237479  
1 1 1 27 9  37 o 3.97329  0.142741  16.0351      1.1343   15.1992      1.53507  17.0404      1.68348  3.83984  0.199887  4.0612   0.207264  
1 1 1 27 9  38 o 1.94416  0.256531  4.01291      0.997471 4.80791      1.41838  3.23503      1.40302  2.0825   0.340546  1.63518  0.425127  
1 1 1 27 9  39 o 0.80989  0.347646  0.22619      1.0116   -0.0114851   1.43651  0.460008     1.42481  0.886726 0.395896  0.95555  0.41144   
1 1 1 27 9  40 o 0.681847 0.312298  -0.377769    0.968158 -1.48988     1.37516  0.715207     1.36328  0.689839 0.332831  0.967829 0.409027  
1 1 1 27 9  41 o 0.806313 0.350632  0.315262     1.05435  -0.440041    1.44078  1.18608      1.54704  0.792571 0.369973  1.03646  0.436764  
1 1 1 27 9  42 o 1.07089  0.389787  1.61344      1.0831   2.50725      1.51121  0.669349     1.55313  1.23752  0.459096  0.914029 0.409773  
1 1 1 27 9  43 o 0.645631 0.309733  -0.7265      1.14968  -0.348675    1.69412  -1.04905     1.56529  0.790066 0.378289  0.711417 0.345986  
1 1 1 27 9  44 o 0.702813 0.329041  0.167219     1.15302  1.35651      1.65519  -0.953965    1.6071   0.873485 0.403401  0.674304 0.332096  
1 1 1 27 9  45 o 0.62884  0.305785  -0.202274    1.22197  0.588833     1.68632  -1.077       1.7732   0.72184  0.352663  0.633698 0.318594  
1 1 1 27 10 0  o 14.7337  0.142022  217.177      4.18413  217.177      4.18413  217.177      4.18413  14.7353  0.100403  ?        ?         
1 1 1 27 10 1  o 14.8487  0.10115   220.519      3.0039   219.489      4.23028  221.566      4.26626  14.8128  0.142791  14.8827  0.14333   
1 1 1 27 10 2  o 5.56474  0.0555625 30.9678      0.618382 32.1802      0.921332 29.9739      0.834194 5.67247  0.0812108 5.4746   0.0761877 
1 1 1 27 10 3  o 19.1415  0.132955  366.492      5.08992  369.553      7.33669  363.653      7.06733  19.2184  0.190876  19.0647  0.185351  
1 1 1 27 10 4  o 32.2731  0.218744  1042.28      14.1191  1045.5       20.0272  1039.11      19.9082  32.3111  0.309912  32.2123  0.309015  
1 1 1 27 10 5  o 16.969   0.118956  288.007      4.03712  283.989      5.70638  292.032      5.71231  16.8484  0.169345  17.0854  0.16717   
1 1 1 27 10 6  o 18.3698  0.127949  337.531      4.70081  339.103      6.75461  336.055      6.54619  18.4101  0.183449  18.3274  0.17859   
1 1 1 27 10 7  o 10.6746  0.0817453 113.959      1.7452   113.614      2.43591  114.323      2.50157  10.6579  0.114277  10.6911  0.116993  
1 1 1 27 10 8  o 4.46172  0.0599867 19.908       0.535288 20.4956      0.799581 19.4308      0.720589 4.52694  0.0883136 4.40782  0.0817399 
1 1 1 27 10 9  o 1.54833  0.130851  2.39796      0.405202 1.61101      0.575283 3.17276      0.570828 1.24801  0.239003  1.78087  0.160267  
1 1 1 27 10 10 o 8.00888  0.0689368 64.1472      1.10421  63.4271      1.53436  64.9208      1.59033  7.96349  0.0963372 8.05668  0.0986963 
1 1 1 27 10 11 f 4.60426  0.0667595 21.2009      0.614755 21.6925      0.88561  20.7437      0.85404  4.65713  0.095081  4.55416  0.0937649 
1 1 1 27 10 12 o 9.2944   0.0773006 86.3963      1.43693  89.6781      2.13975  83.7008      1.93925  9.46862  0.112992  9.14777  0.105996  
1 1 1 27 10 13 o 22.886   0.154348  524.033      7.06482  525.997      10.0273  522.098      9.95547  22.923   0.218716  22.838   0.217959  
1 1 1 27 10 14 o 4.4045   0.0790799 19.4023      0.696616 20.1082      0.974977 18.6662      0.995676 4.48362  0.108726  4.31981  0.115245  
1 1 1 27 10 15 o 12.2913  0.0994447 151.114      2.44462  152.911      3.44024  149.28       3.47444  12.3628  0.139137  12.215   0.142221  
1 1 1 27 10 16 o 20.9063  0.150849  437.344      6.30739  436.409      8.79926  438.331      9.04585  20.8777  0.210733  20.923   0.21617   
1 1 1 27 10 17 o 2.81015  0.137878  7.90151      0.774916 8.37103      1.10457  7.44647      1.08742  2.89165  0.190993  2.72716  0.199369  
1 1 1 27 10 18 o 6.65572  0.0860043 44.3105      1.14484  43.1174      1.62208  45.4948      1.61604  6.56454  0.123549  6.74321  0.119827  
1 1 1 27 10 19 o 3.99281  0.121852  15.9533      0.973063 15.0778      1.41836  16.7317      1.33744  3.88004  0.182777  4.08793  0.163584  
1 1 1 27 10 20 o 8.11046  0.0846257 65.805       1.37271  65.8168      1.88332  65.7916      2.00499  8.10982  0.116113  8.10788  0.123644  
1 1 1 27 10 21 o 2.42086  0.161852  5.87024      0.783641 5.96873      1.09178  5.76559      1.12546  2.4392   0.223799  2.39695  0.234769  
1 1 1 27 10 22 o 7.74979  0.086667  60.0937      1.3433   59.7102      1.89461  60.4813      1.90487  7.72276  0.122664  7.77247  0.122539  
1 1 1 27 10 23 o 2.72274  0.140027  7.42774      0.762517 7.8471       1.03629  6.93263      1.12601  2.79654  0.185281  2.62705  0.214311  
1 1 1 27 10 24 o 3.02964  0.132831  9.19723      0.804862 9.20992      1.07688  9.18117      1.21146  3.0293   0.177745  3.02309  0.200368  
1 1 1 27 10 25 o 5.27183  0.0969271 27.8283      1.02197  27.9258      1.43452  27.7279      1.45628  5.27774  0.135903  5.25875  0.138463  
1 1 1 27 10 26 o 1.37245  0.279397  1.9748       0.740298 2.23154      1.0513   1.72228      1.04263  1.45024  0.362964  1.28666  0.379552  
1 1 1 27 10 27 o 5.97218  0.0930066 35.726       1.1109   34.9146      1.58746  36.5047      1.55515  5.89864  0.134561  6.03233  0.128901  
1 1 1 27 10 28 o 1.99742  0.198437  4.02377      0.792723 3.38944      1.16452  4.57157      1.08217  1.79173  0.337344  2.12331  0.25483   
1 1 1 27 10 29 o 1.66119  0.255014  2.80681      0.847251 3.89831      1.22547  1.80735      1.17266  1.94937  0.314324  1.31317  0.405772  
1 1 1 27 10 30 o 1.12249  0.333294  1.32358      0.801825 0.676508     1.12903  1.98206      1.13894  0.996949 0.390235  1.3597   0.395295  
1 1 1 27 10 31 o 1.95034  0.239869  3.88296      0.935654 5.30933      1.35662  2.5889       1.29216  2.26765  0.299124  1.5351   0.412125  
1 1 1 27 10 32 o 5.08732  0.111058  26.0046      1.12997  25.032       1.54868  27.1119      1.65242  4.97987  0.155494  5.18138  0.159457  
1 1 1 27 10 33 o 3.36757  0.147841  11.4566      0.995733 10.2334      1.31326  13.1109      1.52719  3.16732  0.207314  3.58307  0.213113  
1 1 1 27 10 34 o 1.07835  0.350888  1.22298      0.866273 1.85724      1.19681  0.525014     1.25549  1.2993   0.411492  0.980129 0.401501  
1 1 1 27 10 35 o 1.40868  0.336253  2.20053      0.935566 3.28436      1.30478  1.05365      1.34219  1.70334  0.391052  1.10497  0.42692   
1 1 1 27 10 36 f 1.03482  0.360905  1.10486      0.919859 1.06862      1.26237  1.14589      1.34313  1.08236  0.415008  1.11384  0.427787  
1 1 1 27 10 37 o 3.05008  0.174853  9.53437      1.06663  8.55867      1.43197  10.7504      1.59865  2.85343  0.250921  3.19862  0.249897  
1 1 1 27 10 38 o 2.44576  0.208298  6.24139      1.0189   7.32431      1.45522  5.19996      1.42706  2.60728  0.279068  2.1665   0.329347  
1 1 1 27 10 39 o 1.01979  0.370796  1.13726      0.979907 0.517369     1.35735  1.81197      1.41611  0.948907 0.404851  1.22087  0.445568  
1 1 1 27 10 40 o 1.21298  0.378544  1.8498       1.01719  1.3214       1.4042   2.43323      1.47549  1.08262  0.431723  1.33327  0.457845  
1 1 1 27 10 41 f 0.746468 0.33193   0.0674743    1.0007   0.694324     1.4096   -0.569448    1.42088  0.936971 0.406403  0.771717 0.362008  
1 1 1 27 10 42 o 0.936348 0.379566  1.10442      1.10977  -0.778465    1.54543  3.10908      1.59462  0.747898 0.358871  1.33881  0.474365  
1 1 1 27 10 43 o 0.837481 0.361481  0.762855     1.10492  1.55242      1.56057  -0.0308177   1.56462  0.989076 0.428288  0.793578 0.374184  
1 1 1 27 10 44 o 0.596466 0.291522  -0.879052    1.15522  -1.56174     1.65224  -0.226147    1.61581  0.644619 0.32107   0.724707 0.352158  
1 1 1 27 11 0  o 1.87429  0.140445  3.57227      0.519673 3.57227      0.519673 3.57227      0.519673 1.88233  0.0982197 ?        ?         
1 1 1 27 11 1  o 4.93455  0.0539739 24.3508      0.532674 24.4294      0.756842 24.2737      0.749835 4.9424   0.0765662 4.92662  0.0761004 
1 1 1 27 11 2  o 17.5961  0.119971  309.688      4.22206  307.837      6.00321  311.499      5.93909  17.5415  0.171115  17.6456  0.168288  
1 1 1 27 11 3  o 14.9537  0.102194  223.648      3.05636  228.401      4.40505  219.236      4.24413  15.1105  0.145761  14.8044  0.14334   
1 1 1 27 11 4  o 33.7449  0.226447  1139.58      15.2829  1137.02      21.8203  1142.04      21.4119  33.6932  0.323809  33.7686  0.317039  
1 1 1 27 11 5  o 16.7574  0.118832  280.87       3.98263  278.979      5.59625  282.81       5.66903  16.6991  0.167561  16.8133  0.168587  
1 1 1 27 11 6  o 18.2046  0.127275  331.485      4.63398  331.101      6.62695  331.853      6.48232  18.1916  0.182143  18.2125  0.177964  
1 1 1 27 11 7  o 23.9354  0.163441  573.133      7.82408  574.904      11.1025  571.386      11.0277  23.9673  0.231618  23.894   0.230763  
1 1 1 27 11 8  o 10.3485  0.0795469 107.102      1.64639  107.05       2.38711  107.15       2.27371  10.3454  0.11537   10.3504  0.109837  
1 1 1 27 11 9  o 18.9504  0.133925  359.221      5.07585  355.07       7.26756  363.175      7.09231  18.8375  0.192902  19.0517  0.186133  
1 1 1 27 11 10 o 9.88864  0.0776022 97.7957      1.53476  97.6626      2.19913  97.9222      2.14292  9.88133  0.111277  9.89452  0.108288  
1 1 1 27 11 11 o 20.85    0.140891  434.891      5.87514  437.757      8.3583   432.092      8.25998  20.9144  0.199822  20.7787  0.198761  
1 1 1 27 11 12 o 26.1531  0.175201  684.419      9.16406  689.841      13.0619  679.163      12.8604  26.2479  0.248817  26.0442  0.246895  
1 1 1 27 11 13 o 2.24047  0.120791  5.0213       0.541256 5.04409      0.761256 4.998        0.769717 2.2452   0.169529  2.2349   0.172204  
1 1 1 27 11 14 o 4.39303  0.0829846 19.3018      0.729108 20.9531      1.00997  17.5046      1.05365  4.57681  0.110336  4.18307  0.125942  
1 1 1 27 11 15 o 4.67632  0.0852177 21.8721      0.797011 21.8155      1.08393  21.9386      1.17597  4.6699   0.116055  4.68291  0.12556   
1 1 1 27 11 16 o 3.16739  0.117827  10.0363      0.746406 9.53453      1.06573  10.5194      1.04571  3.08648  0.172646  3.24215  0.161267  
1 1 1 27 11 17 f 7.10738  0.0870322 50.5272      1.23714  48.8047      1.69082  52.5118      1.81493  6.98438  0.121043  7.24466  0.12526   
1 1 1 27 11 18 o 1.51668  0.246806  2.30594      0.74865  1.70663      1.02796  2.98286      1.09249  1.29061  0.375649  1.69427  0.334309  
1 1 1 27 11 19 o 11.4007  0.099759  130.038      2.27464  130.341      3.19689  129.727      3.23714  11.4113  0.140076  11.3842  0.142177  
1 1 1 27 11 20 o 5.45655  0.0885399 29.7872      0.966245 27.9743      1.30256  32.0055      1.44083  5.28678  0.12319   5.65473  0.1274    
1 1 1 27 11 21 o 4.14353  0.102569  17.181       0.849994 16.205       1.16144  18.3066      1.2473   4.0227   0.14436   4.27553  0.145865  
1 1 1 27 11 22 o 3.117    0.126843  9.72861      0.790742 9.41641      1.05945  10.1213      1.18813  3.06481  0.172841  3.17678  0.187003  
1 1 1 27 11 23 o 2.44646  0.152485  5.99981      0.746097 6.24467      1.02192  5.7203       1.09183  2.49347  0.204918  2.3852   0.228876  
1 1 1 27 11 24 o 8.3851   0.0893976 70.378       1.49922  70.6356      2.07367  70.0959      2.17003  8.39672  0.123481  8.36378  0.129728  
1 1 1 27 11 25 o 2.64558  0.144865  7.02021      0.766504 6.78446      1.0609   7.27768      1.10868  2.59688  0.204264  2.68947  0.206115  
1 1 1 27 11 26 o 3.79474  0.111046  14.4301      0.842778 14.6003      1.2012   14.2652      1.18275  3.81296  0.157516  3.76902  0.156904  
1 1 1 27 11 27 f 1.80545  0.214804  3.28961      0.775635 3.04426      1.08495  3.54608      1.10928  1.699    0.331106  1.86681  0.297105  
1 1 1 27 11 28 o 4.01102  0.111117  16.1335      0.891386 15.0073      1.29308  17.1532      1.23047  3.8617   0.167423  4.13128  0.148921  
1 1 1 27 11 29 o 1.93906  0.217402  3.80915      0.843111 3.28753      1.20533  4.30887      1.17976  1.75368  0.356055  2.05266  0.287373  
1 1 1 27 11 30 o 2.71845  0.157045  7.44748      0.853838 7.19958      1.19999  7.7017       1.21517  2.66176  0.225413  2.75393  0.220625  
1 1 1 27 11 31 o 2.68353  0.184226  7.28919      0.98875  7.25909      1.4022   7.31896      1.39445  2.66102  0.263469  2.67262  0.260876  
1 1 1 27 11 32 o 3.61537  0.131656  13.1608      0.95197  13.0647      1.3247   13.2634      1.36897  3.59028  0.184485  3.6162   0.189283  
1 1 1 27 11 33 o 1.1442   0.355563  1.40084      0.89871  0.687497     1.18376  2.37143      1.3808   1.00012  0.397154  1.45634  0.438385  
1 1 1 27 11 34 o 3.64091  0.136046  13.3965      0.99066  13.2388      1.34978  13.5806      1.45855  3.60241  0.187344  3.64352  0.200156  
1 1 1 27 11 35 o 1.74849  0.27326   3.20307      0.955582 3.78269      1.3041   2.53099      1.40425  1.84084  0.367217  1.48026  0.441388  
1 1 1 27 11 36 o 1.28576  0.352599  1.86877      0.933518 1.36753      1.28865  2.42227      1.35417  1.15727  0.424781  1.43768  0.434412  
1 1 1 27 11 37 o 1.22545  0.374608  1.7206       1.0031   1.37936      1.38673  2.09511      1.45278  1.16109  0.437932  1.3365   0.454403  
1 1 1 27 11 38 o 2.64368  0.192473  7.26248      1.01767  5.91017      1.43952  8.61363      1.4389   2.31613  0.31076   2.84049  0.253283  
1 1 1 27 11 39 o 1.13132  0.367644  1.51781      0.95098  0.440419     1.30337  2.74434      1.39065  0.921752 0.395099  1.457    0.440219  
1 1 1 27 11 40 o 0.916325 0.366942  0.80337      1.01946  1.75571      1.47996  -0.0565634   1.40633  1.16765  0.448884  0.847092 0.384319  
1 1 1 27 11 41 o 1.85008  0.275671  3.92331      1.02003  4.81009      1.44298  3.03763      1.44209  1.91718  0.389878  1.43683  0.451191  
1 1 1 27 11 42 o 0.721023 0.335416  -0.197016    1.17132  -1.20251     1.65956  0.801075     1.65344  0.731116 0.355782  0.922    0.417593  
1 1 1 27 11 43 o 0.720728 0.332254  0.115463     1.11627  1.60669      1.58094  -1.36716     1.57637  0.969344 0.425388  0.673282 0.331619  
1 1 1 27 11 44 o 0.59375  0.290924  -0.989496    1.16958  -3.57527     1.58887  2.06872      1.72793  0.543871 0.276977  0.959044 0.431022  
1 1 1 27 12 0  o 5.55279  0.07962   30.8539      0.883816 30.8539      0.883816 30.8539      0.883816 5.55371  0.0562774 ?        ?         
1 1 1 27 12 1  o 21.6061  0.149321  466.976      6.45249  470.654      9.2946   463.555      8.96474  21.6871  0.214289  21.5233  0.208256  
1 1 1 27 12 2  o 14.9155  0.1041    222.507      3.1054   226.003      4.45186  219.193      4.33392  15.0309  0.14809   14.8028  0.146389  
1 1 1 27 12 3  o 11.13    0.079894  123.888      1.77844  123.041      2.5297   124.716      2.50073  11.0913  0.11404   11.1666  0.111974  
1 1 1 27 12 4  o 9.01426  0.0711209 81.2631      1.2822   80.1552      1.8343   82.3216      1.79303  8.95223  0.102449  9.07245  0.0988171 
1 1 1 27 12 5  o 15.2913  0.113473  233.87       3.47031  231.656      4.93005  236.044      4.88576  15.2172  0.161989  15.3608  0.159034  
1 1 1 27 12 6  o 16.9765  0.126534  288.269      4.29621  285.137      6.01814  291.524      6.13508  16.8819  0.178242  17.0698  0.179705  
1 1 1 27 12 7  o 4.59552  0.0621855 21.12        0.57155  22.9936      0.878429 19.7446      0.752655 4.79485  0.0916012 4.44324  0.0846967 
1 1 1 27 12 8  o 20.6164  0.145039  425.181      5.98035  424.604      8.44501  425.761      8.47004  20.5988  0.204988  20.6268  0.205316  
1 1 1 27 12 9  o 8.95043  0.0754368 80.1182      1.35038  79.7222      2.01299  80.4422      1.82089  8.92772  0.112738  8.96814  0.10152   
1 1 1 27 12 10 o 12.6648  0.0912777 160.423      2.31203  161.411      3.32373  159.496      3.21822  12.7027  0.130828  12.6272  0.127432  
1 1 1 27 12 11 o 16.1347  0.112548  260.395      3.63185  262.466      5.23222  258.47       5.04531  16.1965  0.161523  16.0729  0.156951  
1 1 1 27 12 12 o 33.0658  0.220444  1094.47      14.5783  1098.46      20.7111  1090.56      20.5238  33.1084  0.312777  32.9895  0.311065  
1 1 1 27 12 13 o 3.42955  0.0920307 11.7641      0.631249 11.4885      0.84275  12.1163      0.952784 3.38888  0.124341  3.48012  0.13689   
1 1 1 27 12 14 o 9.51336  0.0808139 90.5184      1.53762  91.2459      2.19754  89.8207      2.15222  9.55071  0.115046  9.47587  0.113563  
1 1 1 27 12 15 o 5.76907  0.0822105 33.2882      0.948556 34.2597      1.43062  32.5261      1.26713  5.85199  0.122234  5.7022   0.111109  
1 1 1 27 12 16 o 9.78599  0.0918509 95.7902      1.7977   96.654       2.65046  95.0542      2.44645  9.82856  0.134834  9.74724  0.125495  
1 1 1 27 12 17 o 10.8394  0.0947979 117.53       2.0551   117.853      2.94632  117.223      2.86797  10.8524  0.135744  10.8236  0.132487  
1 1 1 27 12 18 o 13.2711  0.111935  176.219      2.97101  180.401      4.15136  171.828      4.25379  13.4242  0.154623  13.1006  0.162351  
1 1 1 27 12 19 o 4.04744  0.102493  16.3907      0.829667 16.6124      1.15773  16.1567      1.18957  4.0737   0.142098  4.01726  0.148058  
1 1 1 27 12 20 o 9.48748  0.0874801 90.054       1.65993  91.8363      2.34259  88.2568      2.35244  9.57876  0.12228   9.39003  0.125263  
1 1 1 27 12 21 o 7.77255  0.0855304 60.4443      1.32958  61.4716      1.84736  59.3402      1.91509  7.83642  0.11787   7.69893  0.124374  
1 1 1 27 12 22 o 3.50263  0.112711  12.2825      0.789568 12.6998      1.05023  11.74        1.19743  3.56017  0.147497  3.42164  0.17498   
1 1 1 27 12 23 o 1.4782   0.240081  2.19886      0.709779 2.73763      0.980352 1.60533      1.02897  1.61923  0.313926  1.25233  0.378728  
1 1 1 27 12 24 o 3.8346   0.113495  14.7286      0.87042  14.3194      1.18823  15.2025      1.27866  3.77807  0.157253  3.89226  0.164257  
1 1 1 27 12 25 o 2.33932  0.159619  5.49327      0.7468   4.70566      1.03049  6.36446      1.08379  2.15998  0.238542  2.51397  0.215554  
1 1 1 27 12 26 o 4.06302  0.1069    16.5418      0.868678 15.6622      1.21534  17.4606      1.24208  3.94917  0.153873  4.1703   0.14892   
1 1 1 27 12 27 o 7.0083   0.0888991 49.196       1.24606  48.599       1.74801  49.8127      1.77674  6.96011  0.125574  7.04639  0.126074  
1 1 1 27 12 28 o 0.976041 0.324076  0.932275     0.738945 0.661954     1.04471  1.20293      1.04535  0.973888 0.376571  1.1211   0.385334  
1 1 1 27 12 29 o 6.5925   0.098786  43.5824      1.30249  42.4327      1.9463   44.5149      1.75285  6.49335  0.149869  6.65558  0.131683  
1 1 1 27 12 30 o 1.46256  0.280896  2.26264      0.792342 1.58821      1.11625  2.94754      1.12488  1.23643  0.397995  1.65406  0.350705  
1 1 1 27 12 31 o 1.46884  0.333087  2.32612      0.95617  4.25091      1.32918  0.261755     1.37652  2.02271  0.328563  0.980638 0.412556  
1 1 1 27 12 32 o 2.6662   0.166901  7.18806      0.889982 6.65891      1.22439  7.78081      1.2959   2.55093  0.23999   2.75879  0.234867  
1 1 1 27 12 33 o 1.02633  0.357144  1.03757      0.900358 1.04398      1.19704  1.02922      1.36628  1.08618  0.40747   1.11664  0.430877  
1 1 1 27 12 34 o 0.891051 0.342638  0.624095     0.862408 -0.143162    1.18861  1.47701      1.25321  0.835212 0.367672  1.19646  0.420871  
1 1 1 27 12 35 o 1.11592  0.36456   1.3392       0.935096 2.12814      1.27065  0.407139     1.3811   1.36671  0.422398  0.982184 0.413225  
1 1 1 27 12 36 o 1.14881  0.361508  1.46429      0.925133 1.49976      1.2764   1.42504      1.34279  1.1876   0.424038  1.1771   0.433462  
1 1 1 27 12 37 o 0.59576  0.285075  -1.13487     0.958284 -0.33121     1.37863  -1.88617     1.33296  0.849119 0.383119  0.664245 0.32186   
1 1 1 27 12 38 o 1.74904  0.284981  3.33612      0.996886 5.01559      1.43145  1.75451      1.38912  2.10763  0.339589  1.21961  0.441675  
1 1 1 27 12 39 o 1.30832  0.352129  2.05876      0.941852 2.15102      1.29619  1.95555      1.37091  1.29908  0.429216  1.24566  0.439987  
1 1 1 27 12 40 o 1.4957   0.367915  2.82441      1.09445  5.62162      1.61827  0.466453     1.48579  2.0926   0.400966  0.930778 0.410306  
1 1 1 27 12 41 o 0.916626 0.362554  0.926751     0.982891 1.83047      1.3832   0.00500207   1.39693  1.14078  0.435283  0.827996 0.377644  
1 1 1 27 12 42 o 0.806574 0.357564  0.467818     1.15007  1.29101      1.57019  -0.484907    1.68922  0.973751 0.425652  0.787062 0.377065  
1 1 1 27 12 43 o 0.772792 0.347461  0.567388     1.12407  0.719284     1.56241  0.404402     1.61844  0.832934 0.387441  0.804857 0.379813  
1 1 1 27 12 44 o 0.861113 0.37475   1.25013      1.20613  2.20264      1.68179  0.241401     1.7307   0.967588 0.43028   0.767589 0.370972  
1 1 1 27 13 0  o 14.2792  0.138894  203.983      3.96576  203.983      3.96576  203.983      3.96576  14.2807  0.0981923 ?        ?         
1 1 1 27 13 1  o 9.65422  0.0733088 93.2115      1.41548  93.2503      1.98007  93.1709      2.02424  9.65585  0.102532  9.6517   0.104864  
1 1 1 27 13 2  o 6.24316  0.0569614 38.9789      0.711238 39.1665      1.01486  38.7978      0.997058 6.258    0.0810852 6.22849  0.0800401 
1 1 1 27 13 3  o 15.0429  0.105057  226.327      3.16074  226.64       4.4731   226.015      4.46684  15.052   0.148588  15.0313  0.148585  
1 1 1 27 13 4  o 11.472   0.0866236 131.622      1.9875   129.463      2.81621  133.764      2.80531  11.3768  0.123769  11.5644  0.121291  
1 1 1 27 13 5  o 9.88612  0.0805631 97.7448      1.59291  96.7327      2.23808  98.7839      2.26765  9.8343   0.11379   9.93801  0.11409   
1 1 1 27 13 6  o 5.685    0.066621  32.3214      0.75748  31.2959      1.0693   33.3543      1.07319  5.59388  0.0955776 5.77493  0.092918  
1 1 1 27 13 7  o 4.75481  0.0654639 22.6098      0.622537 21.9077      0.860791 23.3797      0.901413 4.68024  0.0919602 4.83491  0.0932192 
1 1 1 27 13 8  o 30.7311  0.211397  945.138      12.9929  941.753      18.5259  948.415      18.2273  30.6633  0.302086  30.7725  0.296162  
1 1 1 27 13 9  o 14.8602  0.104469  220.87       3.10484  223.973      4.50165  218.055      4.28797  14.9625  0.150431  14.7637  0.14522   
1 1 1 27 13 10 o 21.6067  0.145624  467.052      6.29293  463.171      8.83891  471.042      8.96145  21.5122  0.20544   21.6941  0.206542  
1 1 1 27 13 11 o 4.4181   0.072531  19.5218      0.640898 19.6842      0.86824  19.3273      0.950003 4.43624  0.0978576 4.39574  0.108059  
1 1 1 27 13 12 f 14.0522  0.101915  197.508      2.86425  199.785      4.0944   195.326      4.0083   14.1313  0.14487   13.9728  0.143433  
1 1 1 27 13 13 o 4.85104  0.0782695 23.536       0.759377 23.4767      1.11207  23.5877      1.03945  4.84452  0.114776  4.85606  0.107026  
1 1 1 27 13 14 o 2.80599  0.11342   7.87617      0.636508 7.60348      0.922255 8.12421      0.879578 2.75644  0.167291  2.84942  0.154344  
1 1 1 27 13 15 f 7.72882  0.0771171 59.7448      1.19205  59.0451      1.67782  60.458       1.69392  7.68276  0.109194  7.77414  0.108946  
1 1 1 27 13 16 o 11.0125  0.097821  121.313      2.15451  122.435      3.08401  120.243      3.01117  11.0616  0.139402  10.9622  0.137343  
1 1 1 27 13 17 o 7.6947   0.0827267 59.2243      1.27311  60.77        1.88912  57.9381      1.72321  7.79325  0.121202  7.60978  0.113223  
1 1 1 27 13 18 o 1.1135   0.333265  1.25846      0.799536 1.00645      1.10331  1.53717      1.16027  1.09423  0.393884  1.25426  0.405971  
1 1 1 27 13 19 o 2.99304  0.127756  8.96638      0.764758 9.80792      1.03139  7.93866      1.13978  3.12941  0.164789  2.81438  0.202493  
1 1 1 27 13 20 o 6.34529  0.0860384 40.2819      1.09188  40.558       1.50141  39.972       1.59076  6.36562  0.117931  6.31907  0.12587   
1 1 1 27 13 21 o 8.16768  0.0842196 66.7476      1.37576  66.0448      1.92548  67.4806      1.9664   8.12233  0.11853   8.21004  0.119755  
1 1 1 27 13 22 o 3.03123  0.119288  9.2014       0.72318  9.14219      0.995236 9.26764      1.05264  3.01954  0.164799  3.03976  0.173145  
1 1 1 27 13 23 o 8.98209  0.087683  80.7487      1.57515  81.8048      2.21967  79.6774      2.23563  9.0368   0.122813  8.9182   0.125341  
1 1 1 27 13 24 o 3.09474  0.130622  9.59986      0.808482 9.54189      1.10077  9.66775      1.19133  3.08225  0.178566  3.10145  0.192059  
1 1 1 27 13 25 o 2.13943  0.173564  4.59893      0.742656 3.91264      1.01817  5.37916      1.08562  1.96757  0.258737  2.30915  0.23507   
1 1 1 27 13 26 o 3.39147  0.123725  11.5351      0.839221 10.9595      1.15612  12.1762      1.22014  3.30102  0.175116  3.47941  0.175337  
1 1 1 27 13 27 f 4.44815  0.0992557 19.8273      0.883009 20.1702      1.27479  19.511       1.22427  4.48162  0.142224  4.40821  0.138862  
1 1 1 27 13 28 o 2.96651  0.13723   8.8421       0.814187 8.48704      1.13885  9.2133       1.16444  2.89919  0.196408  3.02124  0.19271   
1 1 1 27 13 29 o 2.41652  0.168461  5.8887       0.814178 5.65101      1.19601  6.09398      1.11148  2.35491  0.253939  2.45009  0.226823  
1 1 1 27 13 30 o 0.746294 0.318924  0.0193676    0.844737 -0.375401    1.20918  0.395698     1.18061  0.818458 0.364379  0.947583 0.388953  
1 1 1 27 13 31 o 5.06761  0.111451  25.7985      1.12959  24.9845      1.50617  26.8449      1.70769  4.9773   0.151304  5.15497  0.165636  
1 1 1 27 13 32 o 5.47993  0.10689   30.1731      1.1715   28.8588      1.64771  31.5166      1.66594  5.34531  0.154127  5.58783  0.149069  
1 1 1 27 13 33 o 2.65354  0.18026   7.15939      0.956657 8.39059      1.30149  5.71238      1.41096  2.85859  0.227646  2.33558  0.302058  
1 1 1 27 13 34 o 1.71473  0.258511  3.05738      0.886552 2.71819      1.22782  3.42683      1.28144  1.54915  0.395001  1.74953  0.376991  
1 1 1 27 13 35 o 2.75306  0.179332  7.74816      0.987421 8.03117      1.33986  7.41173      1.46081  2.77857  0.241106  2.65375  0.275235  
1 1 1 27 13 36 o 1.4531   0.336214  2.37224      0.95848  2.769        1.28755  1.87908      1.43547  1.53899  0.410584  1.29421  0.450898  
1 1 1 27 13 37 o 3.4253   0.153731  11.9779      1.05315  10.8832      1.48115  13.0973      1.49774  3.22437  0.229681  3.5496   0.210973  
1 1 1 27 13 38 o 0.727418 0.326017  -0.187851    0.982471 -0.93449     1.39073  0.556        1.38813  0.761799 0.357498  0.967567 0.411007  
1 1 1 27 13 39 o 1.99949  0.239505  4.30892      0.957772 5.89374      1.30071  2.4319       1.41555  2.30604  0.282023  1.35776  0.448543  
1 1 1 27 13 40 o 1.24343  0.391924  2.04556      1.08677  1.31095      1.5548   2.74733      1.51965  1.06591  0.442845  1.36862  0.464744  
1 1 1 27 13 41 f 0.796896 0.342054  0.430147     0.979255 0.434473     1.33569  0.425118     1.43992  0.865687 0.384356  0.8812   0.394818  
1 1 1 27 13 42 o 0.657705 0.31534   -0.740078    1.18727  -1.47999     1.56399  0.266248     1.82395  0.684928 0.335861  0.868403 0.407865  
1 1 1 27 13 43 o 0.955346 0.384152  1.58533      1.12391  0.548291     1.6268   2.5323       1.55455  0.808803 0.381416  1.0744   0.444369  
1 1 1 27 13 44 o 0.829029 0.366942  1.14826      1.20482  0.630099     1.62894  1.7741       1.79019  0.778056 0.372155  0.885861 0.413087  
1 1 1 27 14 0  o 17.0441  0.167234  290.646      5.69948  290.646      5.69948  290.646      5.69948  17.0462  0.118225  ?        ?         
1 1 1 27 14 1  o 8.47503  0.0675722 71.8309      1.14535  73.2231      1.66406  70.5778      1.57884  8.55643  0.0972402 8.40049  0.0939734 
1 1 1 27 14 2  o 11.8544  0.0836595 140.54       1.98346  141.245      2.82177  139.852      2.7886   11.8834  0.118727  11.8246  0.117915  
1 1 1 27 14 3  o 2.79988  0.0653314 7.83983      0.36584  7.61869      0.525293 8.04812      0.509807 2.76001  0.0951615 2.83675  0.0898577 
1 1 1 27 14 4  o 15.6366  0.112008  244.548      3.50286  244.007      4.94762  245.092      4.95997  15.6177  0.158398  15.6524  0.158441  
1 1 1 27 14 5  o 22.0555  0.158187  486.637      6.97778  483.609      9.81608  489.73       9.92089  21.9823  0.223272  22.1209  0.224242  
1 1 1 27 14 6  o 35.0414  0.248645  1229.15      17.4257  1230.98      24.6896  1227.33      24.5981  35.0488  0.352217  34.997   0.351431  
1 1 1 27 14 7  o 2.23919  0.107559  5.01499      0.481688 5.7          0.685917 4.34847      0.676598 2.38703  0.143676  2.08481  0.162268  
1 1 1 27 14 8  o 4.36884  0.0696052 19.0885      0.608188 19.1345      0.858756 19.0421      0.861466 4.3739   0.0981681 4.36332  0.0987167 
1 1 1 27 14 9  o 4.84039  0.0633173 23.4312      0.61296  24.7965      0.917719 22.3316      0.823611 4.97918  0.0921556 4.72527  0.0871496 
1 1 1 27 14 10 o 30.2768  0.206424  917.499      12.4997  917.571      17.3131  917.422      18.0655  30.2654  0.28602   30.2607  0.298497  
1 1 1 27 14 11 o 7.92388  0.0690172 62.7943      1.09377  62.9852      1.55412  62.6068      1.53962  7.9355   0.0979223 7.91163  0.0973011 
1 1 1 27 14 12 o 11.005   0.0872712 121.132      1.92085  122.015      2.80203  120.349      2.63833  11.044   0.126858  10.9686  0.120268  
1 1 1 27 14 13 o 4.45853  0.0789266 19.8816      0.703793 19.847       1.00229  19.9152      0.988479 4.45428  0.112509  4.46196  0.110767  
1 1 1 27 14 14 o 1.91587  0.159873  3.67312      0.612591 2.58808      0.858943 4.79633      0.873922 1.60716  0.267223  2.18885  0.199631  
1 1 1 27 14 15 o 6.8595   0.0789575 47.0616      1.08322  47.699       1.55753  46.4645      1.50749  6.90511  0.112781  6.81521  0.110598  
1 1 1 27 14 16 o 3.65261  0.10714   13.347       0.782679 13.5646      1.14383  13.1554      1.07329  3.68144  0.155351  3.62562  0.148014  
1 1 1 27 14 17 o 7.93021  0.0824327 62.9069      1.30742  62.537       1.84193  63.2826      1.85609  7.90565  0.116494  7.95264  0.116697  
1 1 1 27 14 18 o 8.63101  0.0929067 74.5271      1.60376  75.2639      2.18175  73.661       2.36549  8.67199  0.125793  8.57845  0.137874  
1 1 1 27 14 19 o 5.18616  0.0865627 26.9082      0.897856 26.8508      1.21912  26.9762      1.32729  5.17965  0.117683  5.19135  0.127836  
1 1 1 27 14 20 o 9.15914  0.0926862 83.9398      1.69785  84.9898      2.38908  82.8684      2.41336  9.21356  0.12965   9.09759  0.132637  
1 1 1 27 14 21 o 7.45669  0.0827779 55.6346      1.2345   56.3466      1.70106  54.8424      1.79436  7.50232  0.113369  7.40092  0.121225  
1 1 1 27 14 22 o 3.52281  0.107962  12.4255      0.760661 11.7548      1.02417  13.2508      1.13597  3.42449  0.149536  3.63549  0.156234  
1 1 1 27 14 23 o 8.03008  0.0874777 64.5422      1.40491  65.2932      1.96592  63.7583      2.00844  8.07312  0.121757  7.97717  0.125886  
1 1 1 27 14 24 o 2.04602  0.17663   4.20492      0.722779 3.92098      0.994651 4.5226       1.05209  1.97113  0.252305  2.11724  0.248458  
1 1 1 27 14 25 o 3.06741  0.126653  9.43427      0.776991 9.77984      1.08703  9.07327      1.11103  3.11929  0.174243  3.00352  0.184954  
1 1 1 27 14 26 o 2.88542  0.13939   8.35757      0.804398 9.33465      1.10371  7.25058      1.1748   3.04544  0.181207  2.68005  0.219175  
1 1 1 27 14 27 o 3.04118  0.131634  9.2844       0.800644 9.23009      1.10833  9.34368      1.15786  3.02691  0.183079  3.04459  0.190151  
1 1 1 27 14 28 o 3.34211  0.127019  11.2183      0.849024 12.0297      1.17694  10.3378      1.22597  3.45503  0.170322  3.19959  0.191582  
1 1 1 27 14 29 o 0.943976 0.328701  0.835119     0.762765 1.19867      1.0909   0.487373     1.06692  1.12216  0.39287   0.934666 0.374929  
1 1 1 27 14 30 o 2.44981  0.183557  6.07462      0.899359 5.80579      1.26259  6.35152      1.28139  2.3793   0.265328  2.49048  0.257257  
1 1 1 27 14 31 o 6.2402   0.104162  39.1039      1.29999  38.5407      1.772    39.7602      1.91301  6.18352  0.143284  6.27734  0.152374  
1 1 1 27 14 32 o 3.98503  0.127281  15.9993      1.01443  16.5397      1.44956  15.4806      1.42014  4.03698  0.179535  3.90485  0.181843  
1 1 1 27 14 33 o 3.51     0.140321  12.4522      0.985057 12.7247      1.33337  12.1247      1.46161  3.53296  0.188704  3.4399   0.212449  
1 1 1 27 14 34 o 1.28003  0.33996   1.8167       0.885198 3.05898      1.20542  0.362676     1.30411  1.6507   0.373758  0.957097 0.402053  
1 1 1 27 14 35 o 1.0292   0.358474  1.08951      0.907256 1.14313      1.24326  1.02843      1.32693  1.09843  0.414554  1.08666  0.423525  
1 1 1 27 14 36 o 0.674754 0.311416  -0.625464    0.984302 1.05104      1.36337  -2.45062     1.42254  1.093    0.428623  0.654698 0.320805  
1 1 1 27 14 37 o 1.06052  0.363148  1.2272       0.927863 0.990344     1.27821  1.49103      1.34904  1.04978  0.414009  1.1736   0.434088  
1 1 1 27 14 38 o 1.04658  0.372404  1.22582      0.983729 1.55596      1.3759   0.880562     1.40703  1.16251  0.436704  1.02621  0.423489  
1 1 1 27 14 39 o 0.747698 0.327158  0.085713     0.929473 -1.22512     1.24646  1.72758      1.395    0.675167 0.323565  1.17801  0.440278  
1 1 1 27 14 40 f 1.41044  0.365925  2.56192      1.04087  3.39171      1.46377  1.71319      1.48038  1.53847  0.448414  1.13125  0.445736  
1 1 1 27 14 41 o 1.09059  0.393546  1.67723      1.10201  0.812632     1.46031  2.82094      1.67956  0.928411 0.408122  1.28453  0.482504  
1 1 1 27 14 42 o 0.819706 0.361306  0.580234     1.15169  -0.694741    1.53954  2.20039      1.73548  0.736954 0.354725  1.09792  0.462628  
1 1 1 27 14 43 o 0.759465 0.341905  0.596379     1.0919   1.97252      1.58312  -0.652242    1.50798  0.963842 0.42431   0.68404  0.334034  
1 1 1 27 14 44 o 0.609558 0.297171  -0.475507    1.17573  1.19833      1.63944  -2.24795     1.68704  0.791923 0.377484  0.58627  0.296382  
1 1 1 27 15 0  o 27.3561  0.258024  748.932      14.1142  748.932      14.1142  748.932      14.1142  27.3613  0.182398  ?        ?         
1 1 1 27 15 1  o 10.0101  0.0761957 100.211      1.52545  98.0253      2.14388  102.452      2.17101  9.89987  0.108278  10.121   0.107253  
1 1 1 27 15 2  o 20.9325  0.140648  438.303      5.88823  440.324      8.36584  436.32       8.28913  20.9773  0.199402  20.8818  0.198477  
1 1 1 27 15 3  o 15.3687  0.106451  236.239      3.27204  237.775      4.7089   234.805      4.54991  15.4171  0.152717  15.3206  0.14849   
1 1 1 27 15 4  o 22.8324  0.160138  521.534      7.31268  517.171      10.2733  526.016      10.4114  22.7318  0.225969  22.9252  0.227073  
1 1 1 27 15 5  o 10.6454  0.0856723 113.339      1.82403  111.597      2.61894  114.98       2.54193  10.5625  0.123973  10.7216  0.118543  
1 1 1 27 15 6  o 15.1     0.111503  228.061      3.3674   229.148      4.79186  227.002      4.73314  15.1342  0.158313  15.0632  0.157109  
1 1 1 27 15 7  o 8.63966  0.0746926 74.6517      1.29064  73.0518      1.82137  76.2652      1.82913  8.5461   0.106561  8.73207  0.104736  
1 1 1 27 15 8  o 7.60998  0.0724623 57.9179      1.10287  58.1493      1.60607  57.7114      1.51712  7.62471  0.10532   7.59603  0.0998628 
1 1 1 27 15 9  o 8.75367  0.0747607 76.6357      1.30886  76.0051      1.90563  77.1989      1.80083  8.717    0.109305  8.78532  0.102491  
1 1 1 27 15 10 o 12.1602  0.0961791 147.901      2.33912  151.45       3.52128  145.098      3.12933  12.3038  0.143098  12.0435  0.129918  
1 1 1 27 15 11 o 16.8844  0.118904  285.172      4.01525  285.899      5.69082  284.45       5.66609  16.9032  0.168336  16.8603  0.168031  
1 1 1 27 15 12 o 15.0737  0.110531  227.283      3.33221  223.087      4.63331  231.778      4.7958   14.9317  0.15515   15.2197  0.157553  
1 1 1 27 15 13 o 7.88304  0.0764567 62.1519      1.20542  62.6667      1.73857  61.6753      1.67278  7.91495  0.109828  7.85217  0.106517  
1 1 1 27 15 14 o 10.4045  0.0993107 108.285      2.06656  110.369      3.03927  106.493      2.81834  10.5024  0.144693  10.3167  0.13659   
1 1 1 27 15 15 o 9.11881  0.0902713 83.1749      1.64633  84.6111      2.52079  82.1066      2.17404  9.1956   0.137065  9.05913  0.119992  
1 1 1 27 15 16 o 6.48545  0.0838486 42.0727      1.08759  39.3897      1.51398  44.9337      1.56338  6.2743   0.120649  6.70144  0.116645  
1 1 1 27 15 17 o 8.95978  0.0874035 80.3065      1.56623  81.2408      2.25967  79.4426      2.17285  9.01001  0.125398  8.90992  0.121935  
1 1 1 27 15 18 o 9.01423  0.0896372 81.2921      1.61602  80.1537      2.26122  82.4805      2.31036  8.94896  0.12634   9.07787  0.127253  
1 1 1 27 15 19 o 10.5163  0.0892143 110.648      1.87641  109.65       2.62719  111.688      2.68092  10.4661  0.125509  10.5628  0.126904  
1 1 1 27 15 20 o 4.07641  0.106117  16.6312      0.865153 17.148       1.19285  16.0575      1.25667  4.13776  0.144142  4.00345  0.156949  
1 1 1 27 15 21 o 2.21653  0.154116  4.92401      0.683206 4.36994      0.94829  5.522        0.985162 2.08538  0.227366  2.34503  0.210053  
1 1 1 27 15 22 o 2.64534  0.137493  7.01245      0.727433 6.20768      0.995441 7.93472      1.06563  2.48601  0.200209  2.81127  0.189528  
1 1 1 27 15 23 f 4.84445  0.0938878 23.4957      0.909669 23.4632      1.2515   23.5321      1.32454  4.83859  0.129325  4.84508  0.136689  
1 1 1 27 15 24 o 2.55941  0.140684  6.57002      0.720134 6.80282      0.995238 6.31418      1.04331  2.60101  0.191317  2.50458  0.20828   
1 1 1 27 15 25 o 2.63954  0.140568  6.99166      0.74207  7.26881      1.04031  6.70456      1.05883  2.68709  0.193576  2.57962  0.205229  
1 1 1 27 15 26 o 2.18927  0.169283  4.82092      0.741211 4.65202      1.00951  5.01846      1.09177  2.14484  0.235336  2.22665  0.245161  
1 1 1 27 15 27 o 7.74812  0.0905031 60.1487      1.40246  59.9169      1.92951  60.4084      2.04202  7.72649  0.124863  7.75654  0.131632  
1 1 1 27 15 28 o 0.826215 0.324223  0.43397      0.780375 0.764186     1.0681   0.0558609    1.14293  1.00354  0.382622  0.872155 0.371783  
1 1 1 27 15 29 o 1.39405  0.284605  2.06206      0.766055 1.78364      1.08032  2.34364      1.08644  1.29397  0.387411  1.47051  0.36955   
1 1 1 27 15 30 o 0.819892 0.336675  0.27369      0.884927 0.150423     1.27001  0.390014     1.23373  0.927185 0.393464  0.961882 0.396681  
1 1 1 27 15 31 o 2.80985  0.164244  7.97995      0.923005 8.87973      1.28394  7.0176       1.32782  2.95216  0.217457  2.61566  0.253821  
1 1 1 27 15 32 o 3.40456  0.137735  11.7007      0.937853 10.7166      1.34169  12.6409      1.31148  3.23941  0.207088  3.52533  0.186008  
1 1 1 27 15 33 o 2.49937  0.191614  6.3777       0.95783  6.83003      1.31605  5.86823      1.3967   2.56553  0.256487  2.36406  0.295402  
1 1 1 27 15 34 o 2.88598  0.166414  8.47504      0.960534 7.61483      1.31424  9.46143      1.40733  2.709    0.24257   3.02403  0.232692  
1 1 1 27 15 35 o 0.74095  0.32246   -0.0243094   0.893041 -0.00605554  1.22849  -0.0447651   1.30048  0.860998 0.376431  0.877051 0.385345  
1 1 1 27 15 36 o 1.89174  0.263317  3.78634      0.996257 4.24836      1.37956  3.2828       1.44023  1.93021  0.370583  1.65729  0.430658  
1 1 1 27 15 37 o 1.1052   0.361691  1.38618      0.920432 -0.178977    1.27692  3.07896      1.32796  0.831782 0.37226   1.59248  0.413398  
1 1 1 27 15 38 o 0.749085 0.328622  0.0265558    0.942861 0.872217     1.31511  -0.867871    1.35249  1.00601  0.411316  0.753708 0.353493  
1 1 1 27 15 39 f 0.992417 0.36645   1.1138       0.960572 0.886759     1.29936  1.38741      1.42642  0.983554 0.406496  1.09728  0.435892  
1 1 1 27 15 40 o 0.60085  0.287824  -0.940564    0.983597 -1.273       1.3495   -0.563822    1.43661  0.684021 0.329947  0.776262 0.364116  
1 1 1 27 15 41 o 0.712128 0.328641  -0.170417    1.09593  -1.3856      1.52701  1.12041      1.57382  0.695701 0.339078  0.97114  0.425314  
1 1 1 27 15 42 o 0.634423 0.305422  -0.80038     1.14245  -0.495302    1.54658  -1.16679     1.69493  0.750819 0.359965  0.72368  0.353562  
1 1 1 27 15 43 o 0.688994 0.322335  0.13873      1.10126  1.05841      1.59131  -0.706562    1.52559  0.835846 0.389649  0.676504 0.331724  
1 1 1 27 15 44 o 0.647356 0.312158  0.0298596    1.20547  -1.2036      1.70312  1.26816      1.70646  0.620569 0.312097  0.773084 0.372445  
1 1 1 27 16 0  o 20.9346  0.199031  438.518      8.33157  438.518      8.33157  438.518      8.33157  20.9377  0.140701  ?        ?         
1 1 1 27 16 1  o 9.46104  0.071731  89.5189      1.3573   88.6478      1.88379  90.4593      1.95735  9.4145   0.100047  9.51016  0.102908  
1 1 1 27 16 2  o 6.48052  0.0585382 41.9996      0.758716 41.9999      1.0772   41.9993      1.06882  6.48035  0.0831129 6.48031  0.0824668 
1 1 1 27 16 3  o 10.2728  0.0800612 105.541      1.6449   104.338      2.34173  106.713      2.31105  10.2134  0.11464   10.3291  0.111871  
1 1 1 27 16 4  o 5.86584  0.0626814 34.4105      0.735358 34.8091      1.05788  34.0378      1.02291  5.89949  0.0896583 5.83379  0.0876711 
1 1 1 27 16 5  o 6.93883  0.0677698 48.1514      0.940487 48.1889      1.36108  48.1172      1.30105  6.9412   0.0980436 6.93609  0.0937883 
1 1 1 27 16 6  o 18.5502  0.134573  344.233      4.99271  346.773      7.10582  341.757      7.01654  18.6152  0.190861  18.4801  0.18984   
1 1 1 27 16 7  o 10.7709  0.0867944 116.031      1.86971  114.685      2.6628   117.339      2.62594  10.7074  0.124343  10.8307  0.121227  
1 1 1 27 16 8  o 9.90862  0.0879    98.1965      1.74194  97.4435      2.41321  99.0158      2.517    9.8698   0.122252  9.949    0.126495  
1 1 1 27 16 9  o 8.17493  0.0733343 66.8371      1.19901  67.6478      1.78653  66.1727      1.61736  8.22378  0.10862   8.13379  0.0994223 
1 1 1 27 16 10 o 8.11057  0.0742782 65.7894      1.20488  67.9874      1.78906  63.965       1.62994  8.24437  0.108502  7.99688  0.101911  
1 1 1 27 16 11 o 4.70264  0.0814298 22.1183      0.76587  26.0821      1.14778  18.937       1.02826  5.10629  0.112389  4.35094  0.118165  
1 1 1 27 16 12 o 10.9835  0.0866538 120.661      1.90353  121.621      2.74113  119.767      2.64541  11.026   0.124303  10.9417  0.120886  
1 1 1 27 16 13 o 16.272   0.118921  264.883      3.87015  267.866      5.6686   262.28       5.29675  16.3596  0.17325   16.1889  0.163592  
1 1 1 27 16 14 o 8.19372  0.0834949 67.1516      1.36827  64.1201      1.92839  70.2252      1.94173  8.00569  0.120439  8.37829  0.115878  
1 1 1 27 16 15 o 17.6357  0.134517  311.224      4.74462  316.102      6.6392   306.132      6.78291  17.7679  0.186831  17.4846  0.193968  
1 1 1 27 16 16 o 14.2576  0.107169  203.383      3.05594  203.872      4.36831  202.916      4.27666  14.2709  0.15305   14.2377  0.150188  
1 1 1 27 16 17 o 1.44186  0.257539  2.14971      0.715904 2.80177      1.02601  1.53103      0.999399 1.64142  0.324072  1.22998  0.373503  
1 1 1 27 16 18 o 6.37566  0.0842288 40.6659      1.07403  40.0829      1.49056  41.2955      1.54893  6.32852  0.117765  6.42342  0.120569  
1 1 1 27 16 19 o 7.79949  0.0824775 60.8602      1.28657  60.0541      1.79072  61.7204      1.84967  7.74589  0.115592  7.85247  0.117776  
1 1 1 27 16 20 o 7.57198  0.0867301 57.3702      1.31344  56.2561      1.8348   58.5411      1.88102  7.49576  0.122389  7.64643  0.123     
1 1 1 27 16 21 o 3.88487  0.0978048 15.1072      0.759918 16.8872      1.08226  13.3762      1.06727  4.10573  0.131799  3.65334  0.146068  
1 1 1 27 16 22 o 6.68482  0.0835244 44.7232      1.11669  45.2026      1.54193  44.1944      1.61939  6.7181   0.11476   6.6421   0.121904  
1 1 1 27 16 23 f 2.6417   0.133465  6.99587      0.70515  7.2241       0.970592 6.74075      1.02619  2.68166  0.180969  2.58922  0.198166  
1 1 1 27 16 24 o 6.36451  0.0829947 40.5514      1.05644  41.1429      1.48945  39.9526      1.49866  6.40732  0.11623   6.31366  0.118684  
1 1 1 27 16 25 o 1.40358  0.264917  2.05939      0.716495 3.62943      0.993434 0.357336     1.03436  1.89289  0.262413  0.901398 0.366035  
1 1 1 27 16 26 o 4.50375  0.0967316 20.3238      0.87131  20.7449      1.2065   19.8649      1.25966  4.54628  0.132691  4.44767  0.141609  
1 1 1 27 16 27 o 6.10257  0.0941953 37.3239      1.14967  37.273       1.57178  37.3825      1.68597  6.09254  0.128992  6.09962  0.138203  
1 1 1 27 16 28 o 3.6688   0.114322  13.5117      0.838852 12.2894      1.15941  14.8544      1.21519  3.49164  0.166026  3.84016  0.158221  
1 1 1 27 16 29 o 1.77487  0.2241    3.20359      0.795499 2.80989      1.10344  3.62965      1.14788  1.61322  0.351755  1.87542  0.306033  
1 1 1 27 16 30 o 2.17322  0.203039  4.79292      0.882497 4.47173      1.29334  5.07275      1.20719  2.0784   0.31114   2.22268  0.271561  
1 1 1 27 16 31 o 2.55366  0.173265  6.59998      0.88492  6.13317      1.22242  7.11396      1.28269  2.44566  0.249916  2.63565  0.243334  
1 1 1 27 16 32 o 1.94947  0.220809  3.89415      0.86092  3.50473      1.2321   4.26567      1.20345  1.7887   0.357053  2.02057  0.2978    
1 1 1 27 16 33 o 0.856031 0.340576  0.480406     0.87202  -0.310271    1.17453  1.45155      1.30169  0.802975 0.358257  1.1968   0.428128  
1 1 1 27 16 34 o 0.752909 0.3227    0.0617092    0.869338 -0.686148    1.17864  0.953968     1.28741  0.746278 0.342965  1.06878  0.417044  
1 1 1 27 16 35 o 2.16662  0.217385  4.86207      0.941979 3.63031      1.32323  6.12763      1.34127  1.78156  0.382391  2.40562  0.278778  
1 1 1 27 16 36 o 0.864496 0.348859  0.503269     0.931544 1.48436      1.33558  -0.42616     1.29994  1.17817  0.432448  0.81203  0.36873   
1 1 1 27 16 37 o 0.796366 0.335866  0.271738     0.916082 -0.250302    1.29702  0.791398     1.29406  0.823068 0.371472  0.998954 0.408151  
1 1 1 27 16 38 o 1.18638  0.35925   1.68701      0.925447 0.513538     1.25164  3.10225      1.37454  0.921978 0.390897  1.55664  0.428287  
1 1 1 27 16 39 f 1.76482  0.275796  3.49316      0.97346  2.62404      1.32313  4.51875      1.43731  1.38986  0.431332  1.88465  0.394091  
1 1 1 27 16 40 o 1.07213  0.373977  1.48723      0.98773  2.55343      1.34776  0.250132     1.45176  1.3281   0.43767   0.874314 0.39389   
1 1 1 27 16 41 f 0.612672 0.296171  -1.01349     1.10561  -1.75448     1.54015  -0.225649    1.58809  0.666971 0.328521  0.800339 0.377257  
1 1 1 27 16 42 o 1.60945  0.375301  3.83616      1.18698  4.90193      1.70521  2.83434      1.65327  1.60191  0.488168  1.16815  0.467495  
1 1 1 27 16 43 o 0.809169 0.356817  0.904873     1.12492  1.58867      1.733    0.406953     1.47882  0.900841 0.414784  0.769088 0.362971  
1 1 1 27 17 0  o 5.62767  0.0833828 31.6935      0.938037 31.6935      0.938037 31.6935      0.938037 5.62868  0.0589353 ?        ?         
1 1 1 27 17 1  o 14.1697  0.0980542 200.817      2.77881  201.215      3.93591  200.421      3.92377  14.1825  0.138759  14.1545  0.138605  
1 1 1 27 17 2  o 10.067   0.0771864 101.355      1.55407  104.165      2.22148  98.6629      2.17484  10.205   0.108843  9.93182  0.109488  
1 1 1 27 17 3  f 5.64274  0.0625477 31.8428      0.705881 31.3701      1.00788  32.298       0.98892  5.60047  0.0899819 5.68272  0.0870111 
1 1 1 27 17 4  o 16.9061  0.120626  285.896      4.07863  284.106      5.72962  287.734      5.80726  16.8507  0.170011  16.9579  0.171226  
1 1 1 27 17 5  o 5.23715  0.0658048 27.4301      0.689259 26.1152      0.947066 28.9109      1.00503  5.10986  0.0926705 5.37641  0.093467  
1 1 1 27 17 6  o 17.3382  0.126617  300.713      4.39064  300.486      6.20129  300.942      6.21735  17.3288  0.17893   17.3419  0.179258  
1 1 1 27 17 7  o 6.71905  0.075375  45.151       1.0129   45.512       1.5334   44.8716      1.34913  6.74534  0.113664  6.69791  0.100713  
1 1 1 27 17 8  o 13.8352  0.107102  191.461      2.96356  190.849      4.08181  192.142      4.30969  13.8116  0.147768  13.8579  0.155496  
1 1 1 27 17 9  o 3.59236  0.0871257 12.9072      0.625974 11.2813      0.878798 14.5818      0.891868 3.35813  0.130846  3.81803  0.116797  
1 1 1 27 17 10 o 4.53304  0.071564  20.5509      0.648806 19.3888      0.942532 21.5976      0.894454 4.40267  0.107041  4.64681  0.096244  
1 1 1 27 17 11 o 5.86295  0.0732714 34.3789      0.859173 32.6799      1.1907   36.2244      1.24097  5.71584  0.104158  6.01785  0.103107  
1 1 1 27 17 12 o 20.6946  0.15045   428.532      6.22699  428.397      9.02966  428.654      8.59873  20.6841  0.218276  20.6916  0.207784  
1 1 1 27 17 13 o 11.1834  0.09173   125.101      2.05171  128.733      2.96573  121.768      2.84139  11.3431  0.130728  11.0321  0.128778  
1 1 1 27 17 14 o 6.25749  0.084458  39.1657      1.05699  38.9058      1.5125   39.4137      1.47772  6.23588  0.121274  6.27655  0.117718  
1 1 1 27 17 15 f 7.21943  0.0769357 52.1327      1.11086  53.0413      1.58161  51.2481      1.5606   7.28117  0.10861   7.15703  0.109025  
1 1 1 27 17 16 o 6.00084  0.077055  36.0203      0.924789 35.5302      1.28263  36.5509      1.33462  5.95907  0.10762   6.04396  0.110409  
1 1 1 27 17 17 o 6.46024  0.0824534 41.7503      1.06534  41.7609      1.53582  41.7405      1.47902  6.45977  0.118876  6.45837  0.114504  
1 1 1 27 17 18 o 7.40671  0.0841816 54.8838      1.24702  54.3709      1.79638  55.3609      1.73245  7.37018  0.121868  7.43728  0.116471  
1 1 1 27 17 19 o 7.79773  0.0831148 60.8357      1.29621  63.4677      1.87048  58.404       1.79792  7.96255  0.117455  7.63829  0.117691  
1 1 1 27 17 20 f 1.86959  0.190253  3.50694      0.711387 2.88415      0.974107 4.21869      1.04136  1.66557  0.303679  2.04789  0.254252  
1 1 1 27 17 21 o 3.15503  0.115333  9.9686       0.727755 10.6206      1.03115  9.32153      1.02726  3.25449  0.15842   3.04842  0.168491  
1 1 1 27 17 22 o 4.54276  0.0936908 20.6595      0.851229 20.7628      1.18491  20.5492      1.22367  4.55176  0.130159  4.52791  0.135125  
1 1 1 27 17 23 o 3.06848  0.115824  9.43399      0.710808 8.95702      0.976395 9.97179      1.03679  2.98697  0.163442  3.15156  0.164488  
1 1 1 27 17 24 o 3.62526  0.105839  13.1676      0.767384 13.3429      1.07754  12.9872      1.09311  3.64596  0.147772  3.59665  0.151963  
1 1 1 27 17 25 o 2.46518  0.145645  6.1027       0.718085 6.13068      0.97295  6.06922      1.06423  2.46655  0.197229  2.45219  0.216996  
1 1 1 27 17 26 o 2.12001  0.172663  4.52428      0.732095 4.89968      1.01078  4.11005      1.06177  2.2007   0.229651  2.01186  0.263878  
1 1 1 27 17 27 o 1.36601  0.278606  1.97089      0.734794 2.75321      0.998132 1.04528      1.08569  1.61095  0.321177  1.08299  0.39064   
1 1 1 27 17 28 o 3.12056  0.127406  9.78614      0.795154 9.45112      1.10052  10.1521      1.15016  3.05918  0.179871  3.17033  0.181394  
1 1 1 27 17 29 o 1.06975  0.337378  1.18578      0.805162 2.38206      1.11208  -0.132159    1.16727  1.47826  0.375327  0.842376 0.367622  
1 1 1 27 17 30 o 2.82282  0.159748  8.04543      0.901881 8.80653      1.35149  7.43438      1.21096  2.93813  0.229991  2.70088  0.224179  
1 1 1 27 17 31 o 2.26277  0.188738  5.19966      0.854138 5.34353      1.19949  5.05166      1.21656  2.27724  0.263364  2.21121  0.275089  
1 1 1 27 17 32 o 3.29442  0.141913  10.9679      0.935045 11.6666      1.31423  10.2516      1.33063  3.38222  0.194285  3.16525  0.210193  
1 1 1 27 17 33 f 2.69064  0.174665  7.37185      0.939923 8.14569      1.25416  6.38026      1.41968  2.81235  0.222973  2.46523  0.287941  
1 1 1 27 17 34 o 1.57847  0.290007  2.70668      0.881309 2.24847      1.20329  3.23692      1.29441  1.39978  0.406102  1.68273  0.391613  
1 1 1 27 17 35 o 1.1078   0.368018  1.33203      0.952916 -0.129456    1.32907  2.87812      1.36699  0.87116  0.385519  1.56251  0.425878  
1 1 1 27 17 36 o 0.729953 0.319076  -0.0333851   0.882299 -0.350656    1.22455  0.30913      1.27234  0.797641 0.36042   0.918464 0.391918  
1 1 1 27 17 37 o 0.853283 0.346362  0.523435     0.925794 -0.441157    1.30232  1.50889      1.31633  0.795269 0.363394  1.1531   0.428335  
1 1 1 27 17 38 o 1.39185  0.329989  2.28908      0.905801 2.85201      1.23471  1.63305      1.33291  1.50452  0.402382  1.16426  0.431314  
1 1 1 27 17 39 o 0.817571 0.342309  0.471913     0.940166 -0.101233    1.29071  1.11973      1.37222  0.80562  0.366244  1.0202   0.41914   
1 1 1 27 17 40 o 0.666359 0.305955  -0.274144    0.935607 -0.542147    1.29604  0.0175112    1.35203  0.735444 0.345127  0.817304 0.372433  
1 1 1 27 17 41 o 0.736473 0.336172  0.0579449    1.11121  0.34961      1.57382  -0.232       1.56918  0.851275 0.393226  0.78958  0.373082  
1 1 1 27 17 42 o 0.665762 0.314171  -0.206578    1.10732  -0.454094    1.62207  0.00943455   1.51533  0.730837 0.354416  0.756177 0.361031  
1 1 1 27 17 43 o 0.805983 0.356373  0.917285     1.13245  0.219259     1.66367  1.51996      1.54587  0.761577 0.367108  0.89005  0.403417  
1 1 1 27 18 0  o 5.18083  0.0858601 26.8651      0.889102 26.8651      0.889102 26.8651      0.889102 5.18199  0.0606798 ?        ?         
1 1 1 27 18 1  o 31.3429  0.208659  983.228      13.08    976.516      18.3825  990.111      18.6154  31.2224  0.294381  31.4386  0.29606   
1 1 1 27 18 2  o 13.8029  0.098415  190.558      2.71683  184.396      3.6534   198.181      4.06361  13.5768  0.134546  14.0747  0.144358  
1 1 1 27 18 3  o 9.94427  0.0785774 98.901       1.56279  98.9192      2.20667  98.8826      2.21358  9.94457  0.110949  9.94272  0.111317  
1 1 1 27 18 4  o 4.92823  0.0682779 24.2897      0.672978 24.2006      0.935838 24.3853      0.968471 4.91895  0.0951258 4.93765  0.0980699 
1 1 1 27 18 5  o 10.6381  0.0884119 113.187      1.88106  110.063      2.64054  116.406      2.68036  10.4893  0.125868  10.7874  0.124235  
1 1 1 27 18 6  o 13.8857  0.104379  192.858      2.89876  193.721      4.1117   192.005      4.08733  13.9151  0.147742  13.8534  0.147521  
1 1 1 27 18 7  f 17.0786  0.126835  291.781      4.33233  286.111      6.08969  297.592      6.16468  16.9088  0.180074  17.2449  0.178739  
1 1 1 27 18 8  o 20.8654  0.149077  435.579      6.2211   436.902      8.72339  434.209      8.87448  20.892   0.208773  20.8271  0.213051  
1 1 1 27 18 9  o 17.8679  0.132658  319.393      4.74062  321.305      6.82983  317.616      6.58536  17.9172  0.190594  17.8145  0.184831  
1 1 1 27 18 10 o 5.67939  0.0713838 32.2596      0.810832 32.9339      1.22155  31.7285      1.0841   5.73798  0.106444  5.63214  0.096242  
1 1 1 27 18 11 o 7.72584  0.0728842 59.6972      1.12618  60.8655      1.61654  58.5954      1.56982  7.80048  0.103618  7.65366  0.102553  
1 1 1 27 18 12 o 9.4941   0.0831505 90.1564      1.57888  91.8223      2.16464  88.2626      2.308    9.58058  0.11297   9.39271  0.122861  
1 1 1 27 18 13 o 13.4534  0.104431  181.059      2.80992  182.959      4.02642  179.256      3.92323  13.5213  0.148891  13.384   0.146565  
1 1 1 27 18 14 o 20.1588  0.147307  406.717      5.93907  403.928      8.35655  409.564      8.44232  20.0812  0.208069  20.2207  0.208755  
1 1 1 27 18 15 o 14.8184  0.108861  219.704      3.22631  221.023      4.50184  218.311      4.62607  14.859   0.151485  14.7671  0.156635  
1 1 1 27 18 16 o 13.5227  0.105402  182.969      2.85065  182.242      4.08739  183.657      3.9777   13.4917  0.151478  13.5445  0.146839  
1 1 1 27 18 17 o 8.67265  0.0846971 75.2468      1.4691   73.991       2.04749  76.5792      2.10911  8.59818  0.119065  8.74718  0.120559  
1 1 1 27 18 18 o 3.82499  0.101363  14.6408      0.775422 14.6319      1.12347  14.649       1.07159  3.82231  0.146963  3.82481  0.140084  
1 1 1 27 18 19 o 5.61332  0.0836812 31.5274      0.939459 31.8774      1.29827  31.1426      1.36116  5.64294  0.115035  5.57715  0.12203   
1 1 1 27 18 20 o 1.0234   0.313034  1.06074      0.700304 0.913706     0.947272 1.23796      1.03996  1.02517  0.365373  1.14131  0.384459  
1 1 1 27 18 21 o 3.49674  0.1104    12.2442      0.772082 12.2661      1.09932  12.223       1.08461  3.49733  0.157165  3.4913   0.15533   
1 1 1 27 18 22 o 8.60286  0.083347  74.0793      1.43404  74.8431      2.032    73.3213      2.02411  8.64305  0.117551  8.55463  0.118305  
1 1 1 27 18 23 o 1.02043  0.300337  1.07285      0.653553 0.844269     0.903996 1.32314      0.945959 0.99038  0.356533  1.14785  0.36607   
1 1 1 27 18 24 o 1.7049   0.19777   2.92732      0.674357 3.37534      0.936289 2.44438      0.972089 1.82632  0.256332  1.51984  0.32909   
1 1 1 27 18 25 o 2.69451  0.133079  7.28683      0.717165 7.44297      0.990243 7.11458      1.04004  2.71898  0.182099  2.65693  0.195722  
1 1 1 27 18 26 o 4.86925  0.0946781 23.7599      0.922024 22.1673      1.2572   25.6135      1.35631  4.69828  0.133794  5.05023  0.134282  
1 1 1 27 18 27 o 2.50017  0.154034  6.2927       0.770223 6.41749      1.04798  6.14611      1.13584  2.51807  0.208092  2.46087  0.23078   
1 1 1 27 18 28 o 1.63848  0.223562  2.7274       0.732602 2.77059      1.00378  2.67817      1.07166  1.61137  0.322858  1.57666  0.349118  
1 1 1 27 18 29 o 2.76882  0.160196  7.73709      0.887108 7.99505      1.23331  7.46055      1.27695  2.80309  0.21999   2.70424  0.236102  
1 1 1 27 18 30 o 0.535117 0.257207  -1.13665     0.802302 -1.21645     1.19174  -1.0705      1.08501  0.696843 0.327984  0.670552 0.314874  
1 1 1 27 18 31 o 1.25141  0.316594  1.70482      0.793389 2.4093       1.11978  0.994662     1.12428  1.47403  0.378039  1.06016  0.395448  
1 1 1 27 18 32 o 1.10984  0.347177  1.32112      0.854926 1.79001      1.17614  0.79583      1.24488  1.2783   0.408238  1.03379  0.408299  
1 1 1 27 18 33 o 3.04261  0.153184  9.39192      0.93216  9.04589      1.26407  9.80439      1.38011  2.96584  0.213104  3.08331  0.223803  
1 1 1 27 18 34 o 0.651882 0.296732  -0.424306    0.853215 -0.359943    1.17557  -0.495952    1.24029  0.787547 0.354643  0.790435 0.359255  
1 1 1 27 18 35 o 3.56164  0.153607  12.9207      1.09419  13.5594      1.49116  12.1756      1.61056  3.62242  0.205824  3.41544  0.235776  
1 1 1 27 18 36 o 2.02754  0.226365  4.30982      0.917927 5.00877      1.27093  3.54764      1.32718  2.15128  0.29539   1.73527  0.39168   
1 1 1 27 18 37 o 1.25373  0.354904  1.87343      0.93009  1.88343      1.27437  1.86203      1.36055  1.24001  0.425528  1.23486  0.438105  
1 1 1 27 18 38 o 0.983654 0.356404  1.0783       0.904622 0.988837     1.23631  1.1814       1.32718  1.003    0.403073  1.0553   0.420065  
1 1 1 27 18 39 o 0.775349 0.333808  0.29999      0.937635 1.24532      1.31093  -0.69014     1.34164  1.03009  0.414604  0.741232 0.348621  
1 1 1 27 18 40 o 0.825508 0.350621  0.564617     1.00999  -0.216883    1.41832  1.36858      1.43856  0.790892 0.368371  1.02451  0.425827  
1 1 1 27 18 41 o 0.873428 0.376816  0.847407     1.19956  0.481009     1.72554  1.19009      1.66876  0.878707 0.408128  0.957469 0.427112  
1 1 1 27 18 42 o 1.07281  0.39456   2.07253      1.11229  1.35456      1.66533  2.65077      1.49452  0.891815 0.408935  1.10434  0.443431  
1 1 1 27 18 43 o 0.695399 0.324167  0.288239     1.1013   -0.574261    1.60269  1.05985      1.51589  0.680373 0.335123  0.81137  0.379038  
1 1 1 27 19 0  o 4.99851  0.0907928 25.0119      0.906982 25.0119      0.906982 25.0119      0.906982 4.99985  0.064159  ?        ?         
1 1 1 27 19 1  o 30.2745  0.201588  917.316      12.2059  910.924      17.1535  923.872      17.3722  30.1562  0.28441   30.3695  0.286014  
1 1 1 27 19 2  o 3.42226  0.0752497 11.7132      0.515048 12.1159      0.702242 11.2445      0.757689 3.48042  0.100885  3.35283  0.112992  
1 1 1 27 19 3  o 13.307   0.099222  177.114      2.6407   178.032      3.89691  176.335      3.59088  13.3399  0.146063  13.2766  0.135234  
1 1 1 27 19 4  o 21.6055  0.15399   467.034      6.65409  463.838      9.46889  470.151      9.35279  21.5258  0.219943  21.6722  0.215778  
1 1 1 27 19 5  o 5.23079  0.0680176 27.3639      0.711572 26.5643      0.984594 28.2382      1.02954  5.15355  0.0955258 5.31342  0.0968811 
1 1 1 27 19 6  o 4.85589  0.0698383 23.5822      0.678254 22.5388      0.958054 24.6305      0.960342 4.74698  0.100912  4.96241  0.0967618 
1 1 1 27 19 7  f 16.8622  0.125505  284.434      4.23259  283.541      6.04228  285.295      5.93084  16.8325  0.179482  16.8847  0.175627  
1 1 1 27 19 8  o 3.18868  0.0943652 10.1698      0.6018   10.5914      0.857352 9.76042      0.844932 3.25376  0.131748  3.12348  0.135255  
1 1 1 27 19 9  o 16.2801  0.120838  265.141      3.93453  269.482      5.64459  261.038      5.48727  16.4097  0.171989  16.1507  0.169877  
1 1 1 27 19 10 o 9.82106  0.0891344 96.4741      1.75079  96.3696      2.41574  96.5896      2.54099  9.81477  0.123066  9.82576  0.129302  
1 1 1 27 19 11 o 25.5849  0.179644  655.207      9.19236  656.178      13.0231  654.243      12.9769  25.5917  0.254441  25.554   0.253912  
1 1 1 27 19 12 o 12.7195  0.0994714 161.837      2.53046  162.7        3.61237  161.007      3.54578  12.7513  0.141647  12.6849  0.139764  
1 1 1 27 19 13 o 10.2122  0.0917881 104.321      1.87472  102.172      2.70971  106.295      2.59642  10.1047  0.134082  10.3069  0.125955  
1 1 1 27 19 14 o 12.0126  0.0947627 144.359      2.27669  145.967      3.25369  142.816      3.18681  12.0768  0.134708  11.9459  0.133385  
1 1 1 27 19 15 o 3.82584  0.0929823 14.6433      0.711471 14.612       1.0073   14.6745      1.00505  3.82092  0.131814  3.8291   0.131239  
1 1 1 27 19 16 o 7.02521  0.080101  49.3714      1.12545  48.6327      1.63167  50.0418      1.5544   6.97104  0.117032  7.07162  0.109904  
1 1 1 27 19 17 o 1.89948  0.183409  3.61579      0.696763 3.38601      0.972045 3.85861      0.99926  1.83595  0.264725  1.96022  0.254885  
1 1 1 27 19 18 o 5.25049  0.0819927 27.5815      0.861004 29.1035      1.26569  26.2704      1.17468  5.39197  0.117368  5.12293  0.11465   
1 1 1 27 19 19 o 2.41025  0.14264   5.8201       0.687594 4.73344      0.939335 7.07451      1.00923  2.17101  0.216336  2.65542  0.190033  
1 1 1 27 19 20 o 4.54344  0.0949853 20.663       0.863121 21.7203      1.17667  19.4316      1.26993  4.65649  0.126347  4.40319  0.144206  
1 1 1 27 19 21 o 5.46918  0.0848593 29.9385      0.928221 31.0245      1.33126  28.9111      1.2949   5.56502  0.119609  5.37207  0.120522  
1 1 1 27 19 22 o 5.9913   0.0816878 35.9301      0.978833 35.4655      1.38717  36.3908      1.3814   5.94946  0.11658   6.02677  0.114606  
1 1 1 27 19 23 o 4.15313  0.0975917 17.2756      0.810621 17.0291      1.1687   17.5041      1.12531  4.11973  0.141842  4.17748  0.134688  
1 1 1 27 19 24 o 4.4423   0.0918058 19.7661      0.815657 20.1254      1.11532  19.353       1.19592  4.47945  0.124493  4.39137  0.136167  
1 1 1 27 19 25 o 7.28668  0.0837633 53.1756      1.22071  54.6286      1.73251  51.7431      1.72026  7.3803   0.117374  7.18231  0.119756  
1 1 1 27 19 26 o 2.57195  0.146046  6.65076      0.751244 6.27596      1.03607  7.06626      1.09089  2.49161  0.207913  2.64406  0.20629   
1 1 1 27 19 27 o 5.65405  0.0913779 32.0469      1.03331  32.9892      1.45907  31.0987      1.46358  5.73005  0.127317  5.56255  0.131557  
1 1 1 27 19 28 o 4.9552   0.0970529 24.6322      0.961833 23.9831      1.33508  25.3326      1.38687  4.88169  0.136744  5.01681  0.138223  
1 1 1 27 19 29 o 1.4573   0.294057  2.26181      0.827027 2.17195      1.11545  2.37152      1.23247  1.41234  0.384597  1.47229  0.405758  
1 1 1 27 19 30 o 4.74232  0.11118   22.6012      1.0545   23.1904      1.50817  22.0376      1.47497  4.79166  0.157375  4.6709   0.157889  
1 1 1 27 19 31 o 1.58953  0.250012  2.60611      0.794802 2.61931      1.08629  2.59089      1.16597  1.5412   0.358801  1.52576  0.382479  
1 1 1 27 19 32 o 1.92222  0.23699   3.81482      0.911093 3.21741      1.20657  4.60736      1.38972  1.70079  0.365223  2.08028  0.334021  
1 1 1 27 19 33 f 1.06419  0.341044  1.21196      0.820311 2.22549      1.15401  0.176753     1.16628  1.39925  0.395075  0.879528 0.375263  
1 1 1 27 19 34 o 0.868565 0.346511  0.523526     0.904941 0.809271     1.18319  0.12078      1.40469  1.00711  0.39796   0.933051 0.405213  
1 1 1 27 19 35 f 1.37308  0.348634  2.15491      0.959504 0.662178     1.32854  3.78249      1.38725  1.00122  0.412059  1.80127  0.39582   
1 1 1 27 19 36 o 2.43417  0.196609  6.16088      0.957161 6.18176      1.33024  6.13845      1.3783   2.39356  0.277879  2.3775   0.289863  
1 1 1 27 19 37 o 1.5262   0.316444  2.68746      0.933478 2.40245      1.24836  3.04894      1.40591  1.38141  0.417033  1.54124  0.436357  
1 1 1 27 19 38 o 1.0114   0.358321  1.19112      0.909847 1.48466      1.26209  0.873496     1.31285  1.10918  0.417942  0.983814 0.407722  
1 1 1 27 19 39 o 1.92849  0.248195  4.14833      0.957281 4.4292       1.34312  3.85834      1.36474  1.86142  0.373939  1.69541  0.407023  
1 1 1 27 19 40 o 0.676351 0.313501  -0.279448    1.01152  -0.36693     1.48005  -0.20277     1.38563  0.777486 0.365815  0.776374 0.362572  
1 1 1 27 19 41 o 0.934473 0.375695  1.2142       1.07471  0.622316     1.56846  1.73802      1.47552  0.871637 0.398502  1.03127  0.430115  
1 1 1 27 19 42 o 0.661371 0.311058  -0.066103    1.06807  0.351917     1.55515  -0.439319    1.46945  0.769492 0.366996  0.691912 0.336099  
1 1 1 27 19 43 f 0.642097 0.306264  0.0755804    1.08364  0.209952     1.49717  -0.0722676   1.57046  0.692953 0.337382  0.67804  0.333787  
1 1 1 27 20 0  o 9.67548  0.10915   93.6625      2.11155  93.6625      2.11155  93.6625      2.11155  9.67671  0.0771597 ?        ?         
1 1 1 27 20 1  o 12.597   0.0928044 158.713      2.33811  156.654      3.38853  160.583      3.2303   12.5137  0.135393  12.6699  0.127479  
1 1 1 27 20 2  f 5.78612  0.0633536 33.482       0.733142 31.7733      1.04139  35.1611      1.03231  5.63626  0.0923834 5.92919  0.0870528 
1 1 1 27 20 3  o 16.2873  0.114147  265.351      3.71829  266.225      5.27062  264.485      5.24637  16.3118  0.161559  16.2584  0.161343  
1 1 1 27 20 4  o 26.7867  0.187153  718.075      10.0264  710.686      14.0417  725.761      14.3214  26.6383  0.263562  26.919   0.26601   
1 1 1 27 20 5  o 12.3976  0.0976739 153.734      2.42185  151.477      3.38579  156.1        3.46564  12.305   0.137578  12.4913  0.138722  
1 1 1 27 20 6  o 22.7169  0.161704  516.373      7.34682  515.181      10.4783  517.525      10.3038  22.6835  0.230969  22.7355  0.226602  
1 1 1 27 20 7  o 2.53627  0.115058  6.43472      0.583634 6.99519      0.845364 5.92427      0.806755 2.64402  0.159864  2.43316  0.165783  
1 1 1 27 20 8  o 3.1881   0.0999476 10.1666      0.637287 8.96131      0.807244 12.1605      1.03826  2.99284  0.134862  3.48619  0.14891   
1 1 1 27 20 9  o 9.9536   0.0862628 99.0942      1.71725  100.762      2.39432  97.3269      2.46431  10.0361  0.119286  9.86333  0.124923  
1 1 1 27 20 10 o 10.102   0.088533  102.073      1.78871  103.531      2.57585  100.715      2.48579  10.1726  0.126607  10.0334  0.123875  
1 1 1 27 20 11 o 12.907   0.0990669 166.642      2.55731  168.028      3.60729  165.242      3.62596  12.9586  0.139185  12.8506  0.141081  
1 1 1 27 20 12 o 14.6002  0.110956  213.259      3.23995  219.14       4.68966  207.889      4.48139  14.7968  0.158469  14.4121  0.155473  
1 1 1 27 20 13 o 5.30877  0.075696  28.1898      0.803706 27.7914      1.15152  28.5682      1.12227  5.27043  0.109243  5.34368  0.105009  
1 1 1 27 20 14 o 5.10125  0.0764633 26.03        0.780116 26.5173      1.09478  25.5272      1.11192  5.14811  0.106329  5.05098  0.11007   
1 1 1 27 20 15 o 12.7441  0.10363   162.505      2.64133  164.094      3.87139  161.122      3.61282  12.802   0.151202  12.6865  0.142389  
1 1 1 27 20 16 o 12.5882  0.106449  158.572      2.68     159.799      3.83474  157.401      3.74696  12.6323  0.151784  12.5374  0.149432  
1 1 1 27 20 17 o 3.90957  0.0922448 15.2938      0.721274 15.0986      1.02008  15.4889      1.01999  3.88333  0.131341  3.93326  0.129662  
1 1 1 27 20 18 o 4.02034  0.0918054 16.1744      0.738178 16.2896      1.05461  16.0638      1.03359  4.03316  0.130742  4.00518  0.129032  
1 1 1 27 20 19 o 4.84758  0.0889715 23.5182      0.862593 24.0195      1.21309  23.0055      1.22681  4.89713  0.123857  4.79239  0.127996  
1 1 1 27 20 20 o 8.74553  0.0908816 76.5564      1.58962  77.9204      2.27823  75.2624      2.21905  8.81882  0.129169  8.66725  0.128013  
1 1 1 27 20 21 o 1.98397  0.168208  3.95117      0.667439 3.99242      0.955959 3.91195      0.932288 1.99038  0.240145  1.97044  0.236568  
1 1 1 27 20 22 o 1.28298  0.269863  1.72644      0.670593 1.33214      0.967741 2.09066      0.930103 1.15416  0.370481  1.40613  0.335032  
1 1 1 27 20 23 o 7.72122  0.0859196 59.6954      1.32681  60.2787      1.92362  59.166       1.83247  7.7533   0.124052  7.6822   0.119268  
1 1 1 27 20 24 o 1.95758  0.175551  3.856        0.687309 3.68901      0.966005 4.02721      0.978112 1.90841  0.253091  1.99476  0.245171  
1 1 1 27 20 25 o 2.39691  0.145232  5.77288      0.696218 7.06295      0.968707 4.39453      1.0013   2.64755  0.182944  2.08265  0.240391  
1 1 1 27 20 26 o 2.06609  0.17829   4.30594      0.736726 4.62462      1.01534  3.95162      1.07063  2.13415  0.23788   1.96819  0.271984  
1 1 1 27 20 27 o 3.73375  0.109633  13.9926      0.818686 14.6815      1.13657  13.2496      1.18026  3.8186   0.14882   3.62518  0.162787  
1 1 1 27 20 28 o 2.0894   0.186581  4.42044      0.779682 4.51725      1.07805  4.31428      1.12899  2.10044  0.256624  2.04907  0.275488  
1 1 1 27 20 29 o 2.28676  0.177673  5.29189      0.81259  5.09019      1.12233  5.51412      1.17804  2.2294   0.251712  2.3199   0.253899  
1 1 1 27 20 30 o 1.16391  0.333118  1.45775      0.815058 0.298705     1.17306  2.53954      1.1333   0.919556 0.383513  1.51903  0.374839  
1 1 1 27 20 31 o 1.08879  0.337501  1.26388      0.810401 0.436965     1.07713  2.34258      1.23023  0.912762 0.372561  1.44596  0.407801  
1 1 1 27 20 32 o 1.68019  0.27295   2.94781      0.917216 1.93601      1.22917  4.2191       1.3778   1.31897  0.416946  1.95234  0.366367  
1 1 1 27 20 33 f 1.96109  0.214869  3.96629      0.842757 2.37952      1.1688   5.68462      1.21629  1.44264  0.394062  2.33102  0.260892  
1 1 1 27 20 34 o 1.13521  0.360716  1.42396      0.91911  1.10169      1.2388   1.8186       1.37085  1.08457  0.412488  1.27586  0.441002  
1 1 1 27 20 35 o 3.13377  0.158015  10.036       0.990369 11.4404      1.40592  8.65269      1.39533  3.31759  0.211889  2.86797  0.24326   
1 1 1 27 20 36 o 0.760284 0.327948  0.116511     0.908316 -0.175825    1.26353  0.429147     1.30666  0.822675 0.36919   0.932    0.397415  
1 1 1 27 20 37 o 0.886533 0.346735  0.714995     0.890979 0.191632     1.2154   1.32298      1.30997  0.856587 0.374462  1.09544  0.42207   
1 1 1 27 20 38 o 0.646249 0.299712  -0.480143    0.926114 -0.949529    1.29474  0.011613     1.32524  0.710444 0.337197  0.83568  0.376418  
1 1 1 27 20 39 o 0.842281 0.346525  0.63011      0.939229 0.659957     1.31746  0.599262     1.33935  0.913481 0.394507  0.906961 0.394808  
1 1 1 27 20 40 o 0.83395  0.351084  0.699636     0.998006 0.161128     1.4335   1.20616      1.39028  0.818495 0.377017  0.964521 0.410566  
1 1 1 27 20 41 o 1.05315  0.391672  1.78361      1.10128  1.78514      1.59095  1.7822       1.52598  1.00987  0.434797  1.01268  0.430573  
1 1 1 27 20 42 o 1.2082   0.396174  2.61853      1.10431  2.48777      1.57746  2.7442       1.54645  1.03208  0.438268  1.08312  0.444966  
1 1 1 27 21 0  o 31.6495  0.312497  1003.06      19.7764  1003.06      19.7764  1003.06      19.7764  31.6603  0.220869  ?        ?         
1 1 1 27 21 1  o 8.04698  0.0691802 64.7607      1.11338  64.1546      1.55313  65.4014      1.59691  8.00882  0.0969636 8.08624  0.0987424 
1 1 1 27 21 2  o 19.3161  0.135411  373.264      5.23121  368.739      7.22528  378.249      7.58384  19.1949  0.188208  19.4403  0.195055  
1 1 1 27 21 3  o 13.2112  0.0944797 174.571      2.49638  173.726      3.55003  175.397      3.51111  13.1778  0.134698  13.2411  0.132584  
1 1 1 27 21 4  o 20.9676  0.148172  439.865      6.21365  437.957      8.75919  441.798      8.81593  20.9167  0.209383  21.0081  0.209822  
1 1 1 27 21 5  o 10.9685  0.0882567 120.33       1.93608  117.776      2.65902  123.213      2.82454  10.8505  0.12253   11.098   0.127255  
1 1 1 27 21 6  o 18.8624  0.140753  355.966      5.30989  356.292      7.50452  355.639      7.51413  18.8663  0.198887  18.849   0.199325  
1 1 1 27 21 7  o 13.4859  0.111506  181.928      3.0075   180.154      4.09849  183.997      4.42698  13.418   0.152723  13.5598  0.163239  
1 1 1 27 21 8  o 15.7104  0.117207  246.909      3.68272  247.801      5.23306  246.034      5.18359  15.7357  0.16628   15.6795  0.165298  
1 1 1 27 21 9  o 3.69428  0.0886212 13.6509      0.654784 15.2041      0.932187 12.1381      0.919942 3.89843  0.119559  3.48309  0.132059  
1 1 1 27 21 10 o 7.47661  0.0783577 55.9105      1.1717   57.7472      1.67552  54.1527      1.63915  7.5977   0.110265  7.35741  0.111394  
1 1 1 27 21 11 o 8.7893   0.0796719 77.2691      1.40052  79.1181      2.03886  75.6172      1.92713  8.89278  0.114636  8.69393  0.110832  
1 1 1 27 21 12 o 12.641   0.102142  159.862      2.58235  161.929      3.6849   157.868      3.61995  12.7197  0.144851  12.5592  0.144116  
1 1 1 27 21 13 o 3.75907  0.0881478 14.1357      0.662708 15.0102      0.954686 13.3225      0.920661 3.87293  0.123251  3.64864  0.126165  
1 1 1 27 21 14 o 13.6471  0.103622  186.349      2.82829  186.515      4.08965  186.196      3.91563  13.6491  0.149814  13.6381  0.143555  
1 1 1 27 21 15 o 11.8707  0.0949954 140.987      2.25532  139.338      3.16175  142.696      3.21799  11.7979  0.133996  11.9392  0.134766  
1 1 1 27 21 16 o 3.04466  0.112499  9.27774      0.685045 8.80388      0.970633 9.74803      0.966976 2.96447  0.163711  3.11967  0.15498   
1 1 1 27 21 17 o 6.56259  0.0767948 43.0871      1.00794  42.2439      1.40273  43.9872      1.44931  6.49659  0.107959  6.6292   0.109313  
1 1 1 27 21 18 o 3.2275   0.108881  10.4284      0.702829 10.2078      1.01569  10.631       0.973552 3.19119  0.159139  3.25711  0.14945   
1 1 1 27 21 19 o 1.93714  0.179665  3.76571      0.696072 4.25044      0.967783 3.2462       1.00189  2.05548  0.235415  1.79414  0.279212  
1 1 1 27 21 20 o 6.54489  0.0839554 42.873       1.09896  41.879       1.54047  43.9032      1.56823  6.4657   0.119126  6.62018  0.118443  
1 1 1 27 21 21 o 4.14597  0.0941361 17.2108      0.78057  16.6193      1.09587  17.8199      1.11209  4.07139  0.134582  4.2161   0.131886  
1 1 1 27 21 22 o 4.03574  0.0965415 16.3119      0.779232 15.9463      1.11209  16.6646      1.09218  3.9869   0.139467  4.07621  0.133971  
1 1 1 27 21 23 o 1.90578  0.174842  3.65302      0.66642  3.7199       0.936596 3.58444      0.948437 1.9179   0.244172  1.88198  0.251979  
1 1 1 27 21 24 o 4.75003  0.0908725 22.602       0.863294 22.1834      1.23457  23.0026      1.20764  4.70147  0.131296  4.78816  0.126107  
1 1 1 27 21 25 o 3.80116  0.105322  14.4881      0.800691 12.7901      1.10087  16.3952      1.1667   3.56595  0.154358  4.0388   0.144436  
1 1 1 27 21 26 o 2.3053   0.164344  5.35561      0.757726 5.03271      1.06731  5.68374      1.07591  2.22521  0.239823  2.3667   0.227302  
1 1 1 27 21 27 o 1.46499  0.239431  2.18603      0.701531 1.5804       0.978358 2.82695      1.00647  1.22212  0.369238  1.62835  0.320462  
1 1 1 27 21 28 o 1.92214  0.214918  3.75586      0.826202 2.64827      1.16207  4.88801      1.17489  1.55807  0.376555  2.18246  0.269166  
1 1 1 27 21 29 o 1.76228  0.216982  3.16361      0.764765 2.21661      1.09117  4.07792      1.07216  1.42333  0.377183  1.9909   0.269266  
1 1 1 27 21 30 o 1.04803  0.335097  1.14903      0.792283 1.12485      1.11758  1.17347      1.12336  1.09275  0.396119  1.10667  0.397539  
1 1 1 27 21 31 o 1.71921  0.247307  3.0559       0.850346 4.1787       1.18511  1.86443      1.22082  1.9958   0.296902  1.30241  0.415918  
1 1 1 27 21 32 o 1.38752  0.337603  2.13583      0.929259 2.25881      1.30339  2.00869      1.32522  1.4091   0.426273  1.34023  0.433876  
1 1 1 27 21 33 o 2.57431  0.179295  6.78155      0.923121 6.85728      1.25659  6.69276      1.36059  2.56356  0.245086  2.52153  0.269794  
1 1 1 27 21 34 o 1.00406  0.362045  0.99919      0.932496 2.16918      1.28959  -0.282928    1.34998  1.36581  0.426226  0.854143 0.382502  
1 1 1 27 21 35 o 0.65475  0.299859  -0.479786    0.892338 -1.35089     1.26654  0.378816     1.25742  0.690043 0.329601  0.925689 0.392101  
1 1 1 27 21 36 o 0.94101  0.352545  0.886169     0.895494 1.56549      1.29326  0.260461     1.24118  1.1633   0.425682  0.882172 0.381975  
1 1 1 27 21 37 o 0.934244 0.354404  0.888989     0.912542 -0.110872    1.27315  1.94537      1.30864  0.820401 0.369274  1.23894  0.430625  
1 1 1 27 21 38 o 1.85644  0.262364  3.85602      0.974127 3.68727      1.41266  4.009        1.34507  1.64851  0.425648  1.76044  0.392199  
1 1 1 27 21 39 o 0.739959 0.327051  0.140349     0.952496 -0.246846    1.38811  0.484874     1.30939  0.791603 0.367049  0.875748 0.385707  
1 1 1 27 21 40 o 0.611556 0.292451  -0.701979    1.00453  0.196532     1.42883  -1.58012     1.41254  0.813473 0.375349  0.645008 0.317214  
1 1 1 27 21 41 o 0.686657 0.319218  0.0316789    1.05868  -0.455076    1.4879   0.530806     1.50669  0.712411 0.344246  0.808998 0.377913  
1 1 1 27 21 42 o 0.720702 0.329556  0.376754     1.07321  0.9703       1.50184  -0.242626    1.53418  0.829156 0.383436  0.714753 0.346098  
1 1 1 27 22 0  o 9.3971   0.105511  88.3506      1.98243  88.3506      1.98243  88.3506      1.98243  9.3983   0.0745873 ?        ?         
1 1 1 27 22 1  o 1.58133  0.154432  2.50203      0.488416 2.46091      0.669368 2.54886      0.714266 1.56787  0.213464  1.59556  0.22383   
1 1 1 27 22 2  o 7.24363  0.0686665 52.4762      0.994789 53.3124      1.417    51.6636      1.39691  7.3007   0.0970454 7.18691  0.097184  
1 1 1 27 22 3  o 8.64191  0.0731561 74.6924      1.26442  75.0665      1.83469  74.3539      1.74499  8.66289  0.105894  8.62178  0.101196  
1 1 1 27 22 4  o 20.7418  0.148566  430.463      6.16306  421.481      8.65475  439.703      8.77833  20.5184  0.210902  20.9575  0.209432  
1 1 1 27 22 5  o 13.2668  0.109333  176.062      2.90098  177.106      4.00022  174.905      4.21329  13.3042  0.150337  13.2208  0.159344  
1 1 1 27 22 6  o 11.4113  0.0918659 130.247      2.09661  129.877      2.90928  130.647      3.02418  11.3938  0.127669  11.4274  0.132322  
1 1 1 27 22 7  o 11.4997  0.101334  132.282      2.33063  133.288      3.37638  131.367      3.22112  11.5415  0.146271  11.4583  0.140558  
1 1 1 27 22 8  o 17.2109  0.130111  296.366      4.47868  296.139      6.1707   296.618      6.51058  17.2004  0.179376  17.2134  0.189114  
1 1 1 27 22 9  f 10.3829  0.0901614 107.832      1.87227  112.852      2.77484  103.637      2.53674  10.6203  0.130638  10.1777  0.124623  
1 1 1 27 22 10 o 3.78641  0.0954091 14.3415      0.722516 14.0274      1.03481  14.6403      1.00925  3.74404  0.138195  3.82509  0.131925  
1 1 1 27 22 11 o 1.80663  0.144491  3.26666      0.522085 3.09101      0.806556 3.39334      0.684941 1.75625  0.229625  1.84081  0.186044  
1 1 1 27 22 12 o 12.9195  0.0987528 166.987      2.55167  170.535      3.6826   163.711      3.53889  13.0529  0.141064  12.7893  0.138354  
1 1 1 27 22 13 o 6.64114  0.0723284 44.1165      0.960686 43.43        1.34614  44.829       1.37144  6.5884   0.10216   6.69366  0.102443  
1 1 1 27 22 14 o 3.46077  0.0953054 11.9832      0.659661 11.6761      0.940607 12.2803      0.925382 3.41519  0.137709  3.50259  0.1321    
1 1 1 27 22 15 o 2.91463  0.111638  8.50181      0.650768 9.75773      0.944244 7.36554      0.898137 3.12144  0.151251  2.71156  0.165613  
1 1 1 27 22 16 o 1.4163   0.220239  2.013        0.62385  1.71376      0.891294 2.30041      0.873489 1.28121  0.341519  1.48471  0.304636  
1 1 1 27 22 17 o 7.83354  0.078289  61.3969      1.22656  61.7307      1.72243  61.0534      1.74706  7.85279  0.10967   7.80943  0.111856  
1 1 1 27 22 18 o 2.82357  0.120526  7.98465      0.680625 8.12818      0.931562 7.8203       0.99685  2.84704  0.163602  2.79186  0.178528  
1 1 1 27 22 19 o 3.42681  0.112484  11.7602      0.770919 11.7756      1.06991  11.7435      1.11178  3.42672  0.156113  3.42163  0.162463  
1 1 1 27 22 20 o 1.11348  0.279995  1.30205      0.623391 1.36628      0.892543 1.24087      0.871066 1.15652  0.353325  1.11105  0.350971  
1 1 1 27 22 21 o 8.41887  0.0863099 70.9572      1.45326  71.1879      2.05163  70.725       2.05884  8.42775  0.121719  8.40017  0.122547  
1 1 1 27 22 22 o 1.08246  0.290665  1.23005      0.642672 2.23726      0.923103 0.282619     0.895287 1.45412  0.325575  0.834279 0.339949  
1 1 1 27 22 23 o 1.55034  0.208026  2.4244       0.645022 3.18047      0.916554 1.68252      0.907905 1.77159  0.258681  1.26213  0.34844   
1 1 1 27 22 24 o 2.28849  0.149884  5.26351      0.686018 5.46031      0.987533 5.07997      0.953702 2.32508  0.212366  2.24261  0.212632  
1 1 1 27 22 25 o 3.45786  0.114947  11.9987      0.794938 12.9761      1.13466  11.0565      1.11405  3.59044  0.158011  3.31281  0.168142  
1 1 1 27 22 26 o 3.80124  0.107562  14.4997      0.817737 13.4333      1.15644  15.5662      1.15647  3.65142  0.158355  3.93267  0.147034  
1 1 1 27 22 27 o 5.17794  0.0947645 26.8945      0.981369 26.265       1.3523   27.5948      1.42639  5.10933  0.132337  5.23613  0.136207  
1 1 1 27 22 28 o 4.75042  0.106209  22.6591      1.00907  23.2585      1.46804  22.1223      1.3893   4.80215  0.152853  4.68456  0.148284  
1 1 1 27 22 29 o 3.04327  0.135591  9.33003      0.825283 8.12347      1.15604  10.584       1.17854  2.82623  0.20452   3.23153  0.18235   
1 1 1 27 22 30 o 2.1226   0.198842  4.59526      0.844125 3.56021      1.14986  5.80507      1.24314  1.8138   0.329097  2.36869  0.26241   
1 1 1 27 22 31 o 1.64828  0.270484  2.83164      0.891667 2.53945      1.21848  3.16851      1.30833  1.49849  0.399255  1.67531  0.396202  
1 1 1 27 22 32 o 2.86059  0.173911  8.34192      0.994978 8.00007      1.3547   8.74232      1.46611  2.77547  0.24405   2.89735  0.253009  
1 1 1 27 22 33 o 3.25097  0.150502  10.7482      0.978557 11.591       1.37934  9.89421      1.38849  3.35189  0.205755  3.08765  0.224845  
1 1 1 27 22 34 o 1.46861  0.328468  2.42702      0.940412 1.89214      1.25716  3.1066       1.41704  1.28254  0.422703  1.61254  0.430978  
1 1 1 27 22 35 o 2.51569  0.185509  6.54555      0.933366 7.07754      1.33375  6.03497      1.30663  2.5763   0.25885   2.36907  0.275768  
1 1 1 27 22 36 o 0.723544 0.317952  -0.00650512  0.885675 -0.267459    1.24262  0.262945     1.26269  0.796861 0.361408  0.884687 0.384197  
1 1 1 27 22 37 o 0.826422 0.339201  0.501422     0.897851 0.449703     1.23936  0.558544     1.30249  0.896006 0.38471   0.928386 0.396355  
1 1 1 27 22 38 o 1.05431  0.363746  1.39915      0.93225  0.833303     1.29694  2.00405      1.34096  0.947631 0.399646  1.20013  0.434017  
1 1 1 27 22 39 o 0.841738 0.357862  0.616124     1.05395  0.345322     1.59566  0.825702     1.40374  0.885962 0.403955  0.926821 0.403821  
1 1 1 27 22 40 o 0.75043  0.335424  0.272977     1.03378  -0.584905    1.49922  1.05063      1.4274   0.741415 0.355204  0.925395 0.405164  
1 1 1 27 22 41 o 0.698986 0.320772  0.213865     1.02697  0.862505     1.43676  -0.463716    1.46847  0.829047 0.38002   0.698621 0.338342  
1 1 1 27 22 42 o 0.617689 0.298729  -0.479668    1.1296   0.267392     1.7029   -1.06669     1.50952  0.75262  0.364469  0.639258 0.316511  
1 1 1 27 23 0  o 38.156   0.359328  1458.68      27.4156  1458.68      27.4156  1458.68      27.4156  38.1742  0.253937  ?        ?         
1 1 1 27 23 1  f 1.17348  0.22358   1.42466      0.505869 1.16397      0.696677 1.71539      0.735734 1.06687  0.30884   1.28282  0.293061  
1 1 1 27 23 2  o 11.0418  0.0849925 121.944      1.87694  121.596      2.68628  122.276      2.62361  11.0249  0.121828  11.0558  0.118653  
1 1 1 27 23 3  o 19.1353  0.135756  366.339      5.19545  371.372      7.26632  361.074      7.43141  19.2618  0.18862   18.9922  0.195643  
1 1 1 27 23 4  o 6.22177  0.0738828 38.7161      0.919362 37.9601      1.28308  39.5138      1.31797  6.16026  0.104142  6.28505  0.10485   
1 1 1 27 23 5  o 11.5864  0.0986276 134.282      2.28549  135.466      3.23148  133.097      3.23285  11.6358  0.138859  11.5336  0.140149  
1 1 1 27 23 6  o 9.26386  0.0880394 85.8385      1.63117  87.4241      2.33406  84.3249      2.28052  9.34795  0.124843  9.18078  0.124201  
1 1 1 27 23 7  o 20.4989  0.163417  420.55       6.69973  421.011      9.61793  420.114      9.33798  20.5012  0.234569  20.4803  0.227974  
1 1 1 27 23 8  o 3.37949  0.116064  11.4259      0.784475 10.4185      1.07579  12.57        1.1464   3.22631  0.166721  3.5439   0.161743  
1 1 1 27 23 9  o 17.5957  0.140676  309.829      4.95058  308.029      6.94581  311.687      7.05788  17.5383  0.198018  17.6419  0.200032  
1 1 1 27 23 10 o 6.23131  0.0863023 38.841       1.07555  38.5533      1.64225  39.057       1.42326  6.20691  0.132292  6.2479   0.113899  
1 1 1 27 23 11 f 9.18478  0.0893336 84.3909      1.64102  83.7156      2.35429  85.0291      2.2886   9.14614  0.128704  9.21786  0.12414   
1 1 1 27 23 12 o 11.246   0.0918131 126.526      2.06506  128.934      2.997    124.349      2.84945  11.3499  0.132027  11.1466  0.127817  
1 1 1 27 23 13 f 6.26834  0.0716612 39.3034      0.898394 39.7943      1.27709  38.8224      1.26405  6.30647  0.101252  6.22898  0.101465  
1 1 1 27 23 14 o 12.6318  0.097223  159.655      2.4562   159.751      3.50239  159.562      3.44549  12.6317  0.138635  12.6244  0.136461  
1 1 1 27 23 15 o 10.8896  0.0898718 118.65       1.95733  117.149      2.74493  120.202      2.79183  10.8174  0.126876  10.9574  0.127395  
1 1 1 27 23 16 o 17.4438  0.129031  304.698      4.50157  304.407      6.3046   305          6.42962  17.4239  0.180918  17.44    0.184336  
1 1 1 27 23 17 o 2.67266  0.120348  7.15341      0.643298 6.99624      0.916778 7.30585      0.902902 2.64112  0.173558  2.69921  0.167253  
1 1 1 27 23 18 o 8.5488   0.0818225 73.1361      1.39897  73.5595      1.95414  72.691       2.00367  8.57051  0.114004  8.51937  0.117595  
1 1 1 27 23 19 o 3.70421  0.100937  13.7388      0.747786 14.8221      1.08628  12.7631      1.03095  3.8451   0.141255  3.56783  0.144479  
1 1 1 27 23 20 o 2.86478  0.11596   8.22285      0.6644   7.49256      0.945571 8.93498      0.933746 2.73134  0.173096  2.98386  0.156466  
1 1 1 27 23 21 o 4.60388  0.090919  21.2244      0.837161 20.6901      1.16866  21.7875      1.1998   4.54244  0.128638  4.66134  0.128697  
1 1 1 27 23 22 o 0.744402 0.290083  0.350745     0.62244  -0.810732    0.866692 1.58793      0.894491 0.613796 0.286687  1.22941  0.348054  
1 1 1 27 23 23 o 2.72978  0.123886  7.47563      0.676366 8.47138      0.967861 6.52521      0.945579 2.9022   0.166746  2.54535  0.185747  
1 1 1 27 23 24 o 1.32446  0.263045  1.84301      0.672027 0.941665     0.95331  2.73339      0.947495 1.02573  0.366439  1.61037  0.305259  
1 1 1 27 23 25 o 3.76017  0.111217  14.1883      0.836387 15.122       1.23105  13.3878      1.13986  3.87503  0.158845  3.64647  0.156297  
1 1 1 27 23 26 o 4.53054  0.0973515 20.5874      0.88211  21.1718      1.23971  19.988       1.25542  4.58792  0.135106  4.45668  0.140847  
1 1 1 27 23 27 o 2.8379   0.146032  8.11556      0.828845 7.7012       1.16657  8.53795      1.17784  2.75278  0.21189   2.90037  0.203049  
1 1 1 27 23 28 f 1.53497  0.237599  2.40774      0.729413 2.24362      1.03085  2.5723       1.03224  1.43482  0.359605  1.54059  0.343829  
1 1 1 27 23 29 o 5.60464  0.0992144 31.5499      1.11212  30.9606      1.57596  32.1345      1.56961  5.5392   0.142256  5.64437  0.139042  
1 1 1 27 23 30 o 2.01856  0.20426   4.16372      0.824623 3.92906      1.13022  4.43083      1.20583  1.93938  0.291388  2.05907  0.29281   
1 1 1 27 23 31 o 2.10345  0.212937  4.54386      0.895808 4.84297      1.27433  4.25166      1.25953  2.14499  0.297048  2.00381  0.314282  
1 1 1 27 23 32 o 2.28889  0.201375  5.38295      0.921851 5.38491      1.28731  5.38087      1.32072  2.25922  0.284901  2.25505  0.292836  
1 1 1 27 23 33 o 1.33055  0.351537  2.00537      0.949623 0.46822      1.34927  3.51414      1.33676  0.976903 0.409598  1.7469   0.392249  
1 1 1 27 23 34 f 0.652232 0.300624  -0.557738    0.913333 0.0987429    1.24527  -1.32201     1.34362  0.875191 0.380829  0.720572 0.342713  
1 1 1 27 23 35 o 0.789853 0.331907  0.279505     0.889236 1.41511      1.30073  -0.716963    1.21844  1.137    0.425104  0.736883 0.342525  
1 1 1 27 23 36 o 1.91813  0.24063   3.94719      0.923117 3.71292      1.2436   4.23468      1.37764  1.76291  0.365033  1.87275  0.381047  
1 1 1 27 23 37 o 0.785522 0.335035  0.302636     0.929045 1.52675      1.29872  -0.980312    1.32956  1.11562  0.422916  0.720012 0.341721  
1 1 1 27 23 38 o 0.778958 0.329598  0.394255     0.886943 1.08854      1.25285  -0.303299    1.2558   0.987684 0.40225   0.761387 0.351534  
1 1 1 27 23 39 o 0.998064 0.388563  1.36478      1.11625  1.05126      1.68576  1.60958      1.48961  0.968474 0.430727  1.04778  0.434272  
1 1 1 27 23 40 o 1.29105  0.378373  2.47313      1.03943  3.32162      1.49122  1.6713       1.44963  1.36426  0.460375  1.01831  0.42562   
1 1 1 27 23 41 o 0.781723 0.34307   0.783638     1.02839  1.18471      1.50112  0.428915     1.41172  0.854689 0.390379  0.763195 0.35856   
1 1 1 27 23 42 o 0.543047 0.269619  -1.12485     1.11972  -2.10661     1.66274  -0.310186    1.51464  0.581916 0.294182  0.657303 0.323728  
1 1 1 27 24 0  o 22.3653  0.218243  500.681      9.76004  500.681      9.76004  500.681      9.76004  22.3706  0.154268  ?        ?         
1 1 1 27 24 1  o 19.4711  0.139813  379.329      5.44461  377.682      7.75104  380.934      7.64963  19.4232  0.199531  19.507   0.196074  
1 1 1 27 24 2  o 15.3824  0.110411  236.701      3.39677  240.399      4.8085   233.017      4.79903  15.4995  0.155118  15.2595  0.157247  
1 1 1 27 24 3  o 20.6884  0.144725  428.269      5.98825  431.187      8.42282  425.286      8.51526  20.7527  0.202933  20.6097  0.206583  
1 1 1 27 24 4  o 9.13671  0.0853622 83.4974      1.55986  85.0175      2.30631  82.2158      2.11768  9.21835  0.125094  9.06546  0.1168    
1 1 1 27 24 5  o 16.0522  0.132897  257.812      4.26657  259.293      6.06407  256.36       6.00406  16.0938  0.188397  16.0026  0.187596  
1 1 1 27 24 6  o 9.26764  0.089993  85.9111      1.66805  84.521       2.3015   87.4493      2.42097  9.19124  0.125201  9.34894  0.129478  
1 1 1 27 24 7  o 6.28029  0.0890702 39.4527      1.11877  38.8337      1.56879  40.0934      1.59593  6.22998  0.125907  6.33022  0.126056  
1 1 1 27 24 8  o 10.5404  0.101764  111.144      2.14528  109.889      3.10902  112.284      2.96396  10.4785  0.148353  10.5925  0.139908  
1 1 1 27 24 9  o 7.55168  0.0912785 57.0477      1.37861  56.3182      1.93633  57.7976      1.96325  7.50192  0.129056  7.59981  0.129165  
1 1 1 27 24 10 o 13.6055  0.113942  185.22       3.10048  187.714      4.41347  182.79       4.35658  13.6926  0.161162  13.5118  0.161213  
1 1 1 27 24 11 o 8.58786  0.0840387 73.7776      1.44343  74.2797      2.01436  73.2476      2.06937  8.61561  0.116902  8.55534  0.120941  
1 1 1 27 24 12 o 7.40506  0.0739928 54.8515      1.09584  54.1403      1.52161  55.6178      1.57952  7.35584  0.103429  7.45543  0.105931  
1 1 1 27 24 13 o 11.3839  0.0886333 129.655      2.01798  129.991      2.92265  129.348      2.7897   11.3956  0.128236  11.3679  0.122701  
1 1 1 27 24 14 o 7.52936  0.0746618 56.7128      1.12431  55.3168      1.55001  58.2629      1.63329  7.43474  0.104241  7.63     0.107031  
1 1 1 27 24 15 o 6.95639  0.0760955 48.4131      1.0587   48.7164      1.47823  48.0937      1.51698  6.97664  0.105941  6.9317   0.109423  
1 1 1 27 24 16 o 11.8787  0.0952035 141.222      2.26178  142.829      3.22037  139.657      3.17735  11.941   0.134844  11.8077  0.134545  
1 1 1 27 24 17 f 2.68978  0.119655  7.24602      0.64369  6.06337      0.887858 8.55639      0.934567 2.45811  0.180598  2.92114  0.159966  
1 1 1 27 24 18 o 6.6448   0.0771985 44.1848      1.02594  43.8196      1.42923  44.5729      1.47358  6.61502  0.108029  6.67143  0.110439  
1 1 1 27 24 19 f 1.98181  0.1643    3.94221      0.651225 4.45586      0.932082 3.45235      0.910249 2.10377  0.221526  1.85034  0.245969  
1 1 1 27 24 20 o 4.89258  0.0839372 23.9631      0.821338 23.908       1.16353  24.0179      1.15958  4.88422  0.119111  4.89548  0.118434  
1 1 1 27 24 21 o 2.1978   0.152311  4.8502       0.669497 4.39358      0.923455 5.35612      0.972036 2.087    0.22124   2.30522  0.210834  
1 1 1 27 24 22 o 1.53405  0.20845   2.3738       0.639546 1.89012      0.911105 2.84361      0.897949 1.33402  0.340331  1.67432  0.268153  
1 1 1 27 24 23 o 6.34952  0.0817332 40.3763      1.03793  41.7764      1.50773  39.1151      1.431    6.45373  0.11681   6.24514  0.114569  
1 1 1 27 24 24 o 0.585713 0.265205  -0.35627     0.666397 -0.597673    0.949141 -0.121578    0.935854 0.682258 0.311204  0.759181 0.330242  
1 1 1 27 24 25 o 8.19857  0.0914352 67.3835      1.49928  67.2494      2.16219  67.5077      2.08074  8.1795   0.132171  8.19684  0.126924  
1 1 1 27 24 26 o 6.81319  0.0915746 46.551       1.24783  46.7508      1.81957  46.3735      1.71451  6.81677  0.133463  6.79137  0.126227  
1 1 1 27 24 27 o 5.06867  0.103434  25.7897      1.04855  24.2211      1.42974  27.6152      1.5424   4.9027   0.145811  5.23454  0.147329  
1 1 1 27 24 28 o 2.63721  0.145257  7.01344      0.766148 8.22659      1.08104  5.7892       1.08597  2.84768  0.189811  2.38135  0.228015  
1 1 1 27 24 29 f 0.977347 0.331252  0.955215     0.77203  0.878413     1.08602  1.03368      1.0977   1.02137  0.38687   1.06408  0.391905  
1 1 1 27 24 30 o 2.1414   0.198112  4.68721      0.848475 4.06156      1.15354  5.42468      1.25239  1.96795  0.293083  2.28084  0.274547  
1 1 1 27 24 31 o 0.877218 0.339762  0.591401     0.851199 0.14693      1.24167  0.985478     1.16916  0.89914  0.385528  1.05567  0.400951  
1 1 1 27 24 32 f 1.55462  0.304438  2.65227      0.912818 3.40732      1.26354  1.82804      1.32016  1.73163  0.375407  1.27937  0.433166  
1 1 1 27 24 33 o 4.36772  0.135503  19.3466      1.18368  19.7886      1.70548  18.9359      1.64415  4.38499  0.194468  4.29127  0.191569  
1 1 1 27 24 34 o 3.07465  0.156544  9.66048      0.962636 9.74469      1.31121  9.56204      1.41777  3.05933  0.214297  3.01856  0.234841  
1 1 1 27 24 35 o 0.855733 0.343731  0.56226      0.898484 1.45783      1.28786  -0.286992    1.25411  1.13806  0.423491  0.800955 0.36318   
1 1 1 27 24 36 o 0.640346 0.295873  -0.487284    0.891802 -0.625827    1.20502  -0.319512    1.32605  0.732267 0.340477  0.807892 0.36833   
1 1 1 27 24 37 o 1.11777  0.357959  1.55927      0.903818 1.24216      1.26477  1.89021      1.29205  1.03792  0.411036  1.19046  0.426472  
1 1 1 27 24 38 o 2.64074  0.184711  7.43816      0.97555  6.76935      1.37899  8.10822      1.38028  2.41634  0.285347  2.67878  0.257633  
1 1 1 27 24 39 o 1.84984  0.294847  4.20502      1.09084  4.10334      1.61904  4.28955      1.4762   1.54739  0.47651   1.66241  0.437876  
1 1 1 27 24 40 f 0.823228 0.351988  0.80978      1.02994  1.6281       1.47261  0.0262154    1.441    0.977443 0.419503  0.76545  0.360387  
1 1 1 27 24 41 o 0.701952 0.319646  0.324173     0.992142 -0.691805    1.39089  1.37664      1.41564  0.659289 0.32174   0.881801 0.393372  
1 1 1 27 25 0  o 0.860209 0.395489  1.08253      0.7405   1.08253      0.7405   1.08253      0.7405   0.908232 0.318692  ?        ?         
1 1 1 27 25 1  o 12.079   0.101164  145.948      2.44392  148.365      3.40789  143.388      3.50667  12.1769  0.139933  11.9706  0.14647   
1 1 1 27 25 2  o 6.62186  0.0717488 43.8559      0.950221 43.7613      1.35322  43.948       1.33461  6.61416  0.102297  6.62829  0.100675  
1 1 1 27 25 3  o 9.15504  0.0785403 83.8309      1.43808  86.7855      2.05293  80.9841      2.0151   9.3141   0.110205  8.99735  0.111983  
1 1 1 27 25 4  o 7.05257  0.0799292 49.749       1.12741  50.3868      1.54708  49.0266      1.64635  7.09701  0.108995  7.00034  0.117591  
1 1 1 27 25 5  o 5.45117  0.0855936 29.7226      0.933171 29.2971      1.31326  30.1566      1.32624  5.41133  0.121344  5.49014  0.120784  
1 1 1 27 25 6  o 7.20419  0.083597  51.9135      1.2045   50.1079      1.63496  54.0567      1.78126  7.07698  0.115513  7.35036  0.121168  
1 1 1 27 25 7  f 6.26356  0.094001  39.2458      1.17756  39.0486      1.72422  39.4182      1.61208  6.24653  0.138014  6.27634  0.128425  
1 1 1 27 25 8  o 13.5566  0.145778  183.951      3.95252  191.143      6.05753  178.619      5.21584  13.8109  0.219303  13.3536  0.195297  
1 1 1 27 25 9  o 16.8447  0.144214  284.019      4.85847  281.355      6.82377  286.758      6.91906  16.7573  0.203606  16.9173  0.204497  
1 1 1 27 25 10 o 11.3114  0.102511  128.016      2.31909  124.615      3.26222  131.491      3.29745  11.1571  0.146195  11.4609  0.143856  
1 1 1 27 25 11 o 5.91116  0.0769817 34.9533      0.910102 35.5155      1.27336  34.3663      1.30124  5.9576   0.106869  5.86028  0.111022  
1 1 1 27 25 12 o 5.63655  0.0686279 31.7797      0.773648 31.2177      1.09906  32.3317      1.08922  5.58564  0.0983823 5.68451  0.0958059 
1 1 1 27 25 13 o 3.56755  0.0824109 12.7332      0.58801  13.5217      0.837707 11.9674      0.82557  3.67557  0.113956  3.45772  0.119381  
1 1 1 27 25 14 o 12.3747  0.0988865 153.246      2.44738  151.628      3.45316  154.88       3.46913  12.3044  0.140322  12.4358  0.139481  
1 1 1 27 25 15 o 7.84178  0.0790776 61.5276      1.24022  62.2824      1.75968  60.7827      1.74824  7.88756  0.111548  7.79196  0.112182  
1 1 1 27 25 16 o 3.9556   0.0865085 15.659       0.684386 15.8254      0.947636 15.4776      0.989453 3.97518  0.119194  3.93092  0.125855  
1 1 1 27 25 17 o 5.09232  0.0788757 25.9501      0.80332  25.7356      1.13864  26.1626      1.13351  5.06937  0.112306  5.11134  0.110882  
1 1 1 27 25 18 o 4.02112  0.0875732 16.1857      0.704284 17.7378      0.992791 14.6133      0.999257 4.20778  0.117971  3.81844  0.130846  
1 1 1 27 25 19 f 5.73281  0.0824676 32.8979      0.945543 34.1259      1.38931  31.8383      1.29054  5.83563  0.119037  5.63709  0.114469  
1 1 1 27 25 20 o 1.50158  0.212787  2.27175      0.639032 2.66712      0.913332 1.89258      0.89442  1.59652  0.29713   1.33716  0.334866  
1 1 1 27 25 21 o 5.11001  0.0852272 26.1483      0.871024 27.133       1.22756  25.1499      1.23611  5.20204  0.117988  5.00771  0.123421  
1 1 1 27 25 22 o 2.30849  0.140993  5.35134      0.650964 6.66475      0.930623 4.09302      0.910898 2.57288  0.180853  2.01242  0.226319  
1 1 1 27 25 23 o 2.97817  0.116353  8.89826      0.693039 9.55408      0.994304 8.27861      0.966498 3.08137  0.161341  2.86752  0.168525  
1 1 1 27 25 24 o 0.748136 0.299069  0.300135     0.675521 -0.353725    0.967327 0.922537     0.943771 0.729175 0.325232  1.01549  0.364419  
1 1 1 27 25 25 o 1.31023  0.273001  1.81945      0.691848 2.17868      1.0017   1.49177      0.956693 1.42089  0.353498  1.19216  0.366127  
1 1 1 27 25 26 o 3.3416   0.122765  11.2271      0.820463 10.7994      1.14982  11.6709      1.17109  3.26793  0.175926  3.39799  0.172321  
1 1 1 27 25 27 o 3.58806  0.120902  12.9453      0.867609 13.6624      1.20573  12.1753      1.24941  3.67755  0.163931  3.468    0.180134  
1 1 1 27 25 28 o 2.34468  0.159922  5.55638      0.749935 6.06617      1.06489  5.05479      1.0563   2.43853  0.218346  2.22193  0.237699  
1 1 1 27 25 29 o 1.04355  0.32861   1.14821      0.764243 0.798308     1.08208  1.49646      1.07953  0.998682 0.383852  1.18986  0.391704  
1 1 1 27 25 30 o 2.06552  0.205975  4.37188      0.850892 4.74366      1.1767   3.96442      1.23188  2.13107  0.276081  1.93464  0.318376  
1 1 1 27 25 31 o 1.88192  0.230318  3.66374      0.86688  4.8362       1.28499  2.68444      1.17437  2.13689  0.300667  1.53773  0.382872  
1 1 1 27 25 32 o 0.946276 0.359596  0.784977     0.940835 0.439483     1.33603  1.12485      1.32512  0.969154 0.407023  1.10521  0.424783  
1 1 1 27 25 33 o 2.13677  0.229417  4.76631      0.980425 4.78392      1.40451  4.74958      1.36922  2.09123  0.33581   2.08789  0.327895  
1 1 1 27 25 34 o 1.08346  0.373358  1.29773      0.981918 2.30964      1.40991  0.344638     1.36831  1.37497  0.447648  0.941463 0.404228  
1 1 1 27 25 35 o 2.28624  0.199528  5.48116      0.912338 6.43815      1.29879  4.54895      1.28186  2.43413  0.266787  2.01224  0.318515  
1 1 1 27 25 36 o 1.06532  0.360439  1.3473       0.914072 1.87232      1.2767   0.79514      1.3093   1.21278  0.424973  0.974737 0.405762  
1 1 1 27 25 37 o 0.829011 0.340296  0.580732     0.903742 1.67405      1.26912  -0.544046    1.28725  1.12459  0.420016  0.74306  0.347845  
1 1 1 27 25 38 o 0.724908 0.32181   0.112563     0.93594  0.945563     1.37729  -0.602161    1.27577  0.950411 0.406725  0.717559 0.338206  
1 1 1 27 25 39 o 1.05337  0.385679  1.6539       1.06175  1.17548      1.55394  2.07282      1.4541   0.953202 0.419977  1.10871  0.440205  
1 1 1 27 25 40 o 0.623822 0.296945  -0.36562     1.01058  0.111675     1.43599  -0.833959    1.42245  0.752927 0.356297  0.667396 0.325637  
1 1 1 27 25 41 o 0.667291 0.312903  0.0300116    1.05786  0.092263     1.46715  -0.0373954   1.5267   0.731171 0.350559  0.725697 0.350269  
1 1 1 27 26 0  o 2.69339  0.145304  7.32004      0.777515 7.32004      0.777515 7.32004      0.777515 2.69954  0.102162  ?        ?         
1 1 1 27 26 1  o 9.05572  0.0782909 82.0232      1.41796  81.0527      1.9885   83.0271      2.02253  9.00106  0.110459  9.11001  0.111006  
1 1 1 27 26 2  o 13.5435  0.106313  183.498      2.87969  181.907      4.09564  185.053      4.04975  13.4819  0.151894  13.5982  0.148907  
1 1 1 27 26 3  o 4.1659   0.0729654 17.358       0.607933 17.4339      0.854717 17.2803      0.864868 4.17461  0.102371  4.15616  0.104047  
1 1 1 27 26 4  o 12.4545  0.101857  155.174      2.53715  155.611      3.58104  154.734      3.59516  12.4696  0.143591  12.4344  0.144566  
1 1 1 27 26 5  o 1.89871  0.187214  3.61005      0.710929 5.03111      1.01257  2.22852      0.998388 2.24075  0.225945  1.46016  0.346609  
1 1 1 27 26 6  o 5.34918  0.0963301 28.6249      1.03057  29.0116      1.51387  28.291       1.4069   5.38396  0.140591  5.31694  0.132304  
1 1 1 27 26 7  o 3.95328  0.118178  15.6383      0.93438  16.5265      1.3263   14.7631      1.31658  4.06281  0.163225  3.8397   0.171443  
1 1 1 27 26 8  o 5.77709  0.0871803 33.3869      1.0073   33.977       1.44526  32.8296      1.40467  5.82681  0.124019  5.72763  0.122622  
1 1 1 27 26 9  o 8.03597  0.0879147 64.6028      1.41296  67.4224      1.92481  61.3078      2.08075  8.2082   0.117249  7.82635  0.132932  
1 1 1 27 26 10 f 14.939   0.126645  223.376      3.7839   221.591      5.18495  225.409      5.53465  14.8733  0.174304  14.9993  0.184496  
1 1 1 27 26 11 o 9.7116   0.093216  94.3649      1.81055  94.2892      2.60087  94.4362      2.52197  9.70493  0.133997  9.71282  0.129827  
1 1 1 27 26 12 o 7.69737  0.0761987 59.2724      1.17306  59.4492      1.61363  59.0742      1.70833  7.70748  0.10468   7.68277  0.111179  
1 1 1 27 26 13 o 1.97931  0.13436   3.92293      0.531879 4.29891      0.765244 3.57156      0.739783 2.07071  0.184778  1.88712  0.196009  
1 1 1 27 26 14 o 6.02274  0.0730611 36.2901      0.880057 37.1591      1.27237  35.4931      1.21855  6.09295  0.104413  5.95491  0.102315  
1 1 1 27 26 15 o 2.07212  0.141825  4.30255      0.587756 3.37401      0.830892 5.23252      0.831534 1.83205  0.226765  2.28362  0.182065  
1 1 1 27 26 16 o 1.90322  0.148753  3.63117      0.56622  4.15123      0.804912 3.12171      0.796663 2.03302  0.19796   1.76182  0.226091  
1 1 1 27 26 17 o 4.10711  0.0833658 16.8831      0.684786 17.7417      0.979324 16.0616      0.957897 4.20851  0.11635   4.00409  0.119615  
1 1 1 27 26 18 o 8.43172  0.0824868 71.1625      1.39101  70.2995      1.99916  71.9723      1.9367   8.376    0.119339  8.47578  0.114249  
1 1 1 27 26 19 o 2.31702  0.135627  5.38417      0.628503 4.51754      0.884921 6.26632      0.892806 2.11809  0.208896  2.49691  0.178783  
1 1 1 27 26 20 o 4.86609  0.0842397 23.7092      0.819835 23.1574      1.15225  24.2748      1.16673  4.80595  0.119878  4.92068  0.118553  
1 1 1 27 26 21 o 2.28421  0.146428  5.24023      0.668946 4.37905      0.938424 6.12992      0.953828 2.08201  0.225366  2.46661  0.193348  
1 1 1 27 26 22 o 2.80363  0.11995   7.88566      0.672591 8.65632      0.959698 7.14173      0.942899 2.93342  0.16358   2.66311  0.17703   
1 1 1 27 26 23 o 2.40108  0.142139  5.79567      0.682574 6.56061      0.975915 5.0631       0.955034 2.54925  0.191412  2.23691  0.213471  
1 1 1 27 26 24 o 3.48196  0.113402  12.1702      0.789725 12.0975      1.12785  12.2401      1.10615  3.46468  0.162764  3.4857   0.158669  
1 1 1 27 26 25 o 1.05581  0.305273  1.176        0.681077 -0.931795    0.940539 3.4998       0.987557 0.627355 0.294332  1.84863  0.267105  
1 1 1 27 26 26 o 2.2177   0.175447  4.97243      0.778181 4.29465      1.09421  5.66606      1.10693  2.04608  0.267392  2.35697  0.23482   
1 1 1 27 26 27 o 0.898074 0.320528  0.734278     0.729241 2.98083      1.04117  -1.4291      1.02171  1.66666  0.323911  0.603393 0.290079  
1 1 1 27 26 28 o 2.49656  0.155437  6.30578      0.776117 6.61205      1.09068  5.99161      1.10464  2.54338  0.214416  2.41757  0.228461  
1 1 1 27 26 29 o 2.53288  0.16766   6.51352      0.849326 8.42185      1.20284  4.61603      1.19942  2.86785  0.209712  2.10234  0.285258  
1 1 1 27 26 30 o 1.80432  0.229093  3.3588       0.826714 3.53721      1.17115  3.18161      1.16716  1.7951   0.338591  1.69248  0.356043  
1 1 1 27 26 31 o 3.20141  0.149436  10.4076      0.956811 10.973       1.33241  9.80561      1.37486  3.26582  0.203993  3.07869  0.223287  
1 1 1 27 26 32 o 2.87639  0.172083  8.46026      0.989955 8.02633      1.4203   8.87025      1.38056  2.76436  0.256895  2.91664  0.236669  
1 1 1 27 26 33 f 0.862803 0.342197  0.556489     0.877815 1.15841      1.24725  -0.0343087   1.23567  1.08876  0.413948  0.850612 0.374663  
1 1 1 27 26 34 o 0.727341 0.324431  -0.166109    0.962675 -0.350785    1.34325  0.0289122    1.38036  0.823087 0.374035  0.887485 0.392797  
1 1 1 27 26 35 o 0.699041 0.312772  -0.161087    0.900898 0.144964     1.28476  -0.45715     1.26363  0.868737 0.382343  0.775643 0.355895  
1 1 1 27 26 36 o 2.00344  0.236487  4.35985      0.947578 4.67423      1.29548  3.99812      1.38962  2.00679  0.322774  1.76853  0.401896  
1 1 1 27 26 37 o 0.585212 0.278011  -0.749808    0.881892 0.202768     1.26968  -1.63774     1.22584  0.835294 0.372586  0.615921 0.300861  
1 1 1 27 26 38 o 0.951939 0.369499  1.16384      1.00785  -0.356811    1.38881  2.85554      1.46485  0.760119 0.356807  1.32276  0.456     
1 1 1 27 26 39 o 1.19986  0.38389   2.17149      1.03968  2.76627      1.53897  1.67213      1.41013  1.22841  0.46178   1.02485  0.42351   
1 1 1 27 26 40 o 1.20838  0.393328  2.55768      1.0885   2.83806      1.48466  2.2318       1.60061  1.13137  0.44619   1.00105  0.433613  
1 1 1 27 26 41 o 0.678579 0.314355  0.306533     1.01517  0.0558078    1.47651  0.531317     1.39804  0.701587 0.33969   0.738665 0.350496  
1 1 1 27 27 0  o 17.0318  0.235461  290.562      8.01719  290.562      8.01719  290.562      8.01719  17.0388  0.166392  ?        ?         
1 1 1 27 27 1  o 4.70957  0.1018    22.2156      0.95786  22.2156      0.95786  22.2156      0.95786  4.71146  0.0719167 ?        ?         
1 1 1 27 27 2  o 3.40303  0.114108  11.6226      0.774646 11.6226      0.774646 11.6226      0.774646 3.40612  0.0805093 ?        ?         
1 1 1 27 27 3  o 14.7323  0.155679  217.222      4.58586  217.222      4.58586  217.222      4.58586  14.7354  0.110045  ?        ?         
1 1 1 27 27 4  o 7.54196  0.119876  56.9421      1.80717  56.9421      1.80717  56.9421      1.80717  7.54397  0.0847185 ?        ?         
1 1 1 27 27 5  f 5.74402  0.143472  33.0708      1.64588  33.0708      1.64588  33.0708      1.64588  5.74737  0.101319  ?        ?         
1 1 1 27 27 6  o 3.85475  0.159247  14.9439      1.22295  14.9439      1.22295  14.9439      1.22295  3.86027  0.112222  ?        ?         
1 1 1 27 27 7  o 6.78032  0.123585  46.0362      1.67464  46.0362      1.67464  46.0362      1.67464  6.78266  0.0873248 ?        ?         
1 1 1 27 27 8  o 8.31463  0.116965  69.1996      1.94417  69.1996      1.94417  69.1996      1.94417  8.31664  0.0826682 ?        ?         
1 1 1 27 27 9  o 13.467   0.161328  181.574      4.34381  181.574      4.34381  181.574      4.34381  13.471   0.114024  ?        ?         
1 1 1 27 27 10 o 0.511351 0.344307  -0.34289     0.9742   -0.34289     0.9742   -0.34289     0.9742   0.412967 0.282012  ?        ?         
1 1 1 27 27 11 o 21.3451  0.239154  456.663      10.2067  456.663      10.2067  456.663      10.2067  21.3573  0.168987  ?        ?         
1 1 1 27 27 12 o 1.65371  0.210598  2.86972      0.671163 2.86972      0.671163 2.86972      0.671163 1.67504  0.144117  ?        ?         
1 1 1 27 27 13 o 3.29098  0.129579  10.8885      0.849882 10.8885      0.849882 10.8885      0.849882 3.29539  0.0913401 ?        ?         
1 1 1 27 27 14 f 0.44891  0.301904  -0.250844    0.745005 -0.250844    0.745005 -0.250844    0.745005 0.363208 0.247527  ?        ?         
1 1 1 27 27 15 o 7.98857  0.110903  63.8972      1.77115  63.8972      1.77115  63.8972      1.77115  7.99108  0.0783789 ?        ?         
1 1 1 27 27 16 o 4.04379  0.113966  16.404       0.920049 16.404       0.920049 16.404       0.920049 4.04699  0.0804491 ?        ?         
1 1 1 27 27 17 o 1.67405  0.255083  3.00114      0.794498 3.00114      0.794498 3.00114      0.794498 1.70631  0.168386  ?        ?         
1 1 1 27 27 18 o 4.0923   0.125238  16.8137      1.02285  16.8137      1.02285  16.8137      1.02285  4.09637  0.0883742 ?        ?         
1 1 1 27 27 19 o 5.72059  0.111933  32.798       1.27954  32.798       1.27954  32.798       1.27954  5.72377  0.0790702 ?        ?         
1 1 1 27 27 20 o 0.877952 0.428759  1.15797      0.881055 1.15797      0.881055 1.15797      0.881055 0.91458  0.357759  ?        ?         
1 1 1 27 27 21 o 6.78082  0.113499  46.0808      1.53825  46.0808      1.53825  46.0808      1.53825  6.78457  0.0801858 ?        ?         
1 1 1 27 27 22 o 0.585807 0.368091  0.227719     0.879092 0.227719     0.879092 0.227719     0.879092 0.512414 0.316413  ?        ?         
1 1 1 27 27 23 o 4.9233   0.125855  24.3403      1.23742  24.3403      1.23742  24.3403      1.23742  4.92848  0.0888334 ?        ?         
1 1 1 27 27 24 o 2.67688  0.197076  7.32399      1.04195  7.32399      1.04195  7.32399      1.04195  2.69182  0.137676  ?        ?         
1 1 1 27 27 25 o 3.65627  0.1569    13.501       1.14253  13.501       1.14253  13.501       1.14253  3.66536  0.110433  ?        ?         
1 1 1 27 27 26 o 0.517347 0.349058  -0.338756    1.01054  -0.338756    1.01054  -0.338756    1.01054  0.420065 0.286956  ?        ?         
1 1 1 27 27 27 o 6.53407  0.126477  42.8798      1.65142  42.8798      1.65142  42.8798      1.65142  6.54111  0.0892985 ?        ?         
1 1 1 27 27 28 o 3.71584  0.165407  13.9839      1.22371  13.9839      1.22371  13.9839      1.22371  3.72776  0.116317  ?        ?         
1 1 1 27 27 29 o 3.47139  0.191363  12.2853      1.31936  12.2853      1.31936  12.2853      1.31936  3.48834  0.134172  ?        ?         
1 1 1 27 27 30 o 2.23566  0.268689  5.31813      1.16212  5.31813      1.16212  5.31813      1.16212  2.27241  0.183564  ?        ?         
1 1 1 27 27 31 o 1.62842  0.445811  3.32717      1.25337  3.32717      1.25337  3.32717      1.25337  1.74217  0.274858  ?        ?         
1 1 1 27 27 32 o 0.793169 0.469593  0.879831     1.26073  0.879831     1.26073  0.879831     1.26073  0.755264 0.415421  ?        ?         
1 1 1 27 27 33 o 0.638453 0.414483  0.164849     1.22396  0.164849     1.22396  0.164849     1.22396  0.5539   0.355679  ?        ?         
1 1 1 27 27 34 o 2.82895  0.269156  8.54251      1.49119  8.54251      1.49119  8.54251      1.49119  2.87716  0.184995  ?        ?         
1 1 1 27 27 35 o 3.4429   0.204049  12.3011      1.39374  12.3011      1.39374  12.3011      1.39374  3.47537  0.14233   ?        ?         
1 1 1 27 27 36 o 0.588942 0.400247  -0.234246    1.36437  -0.234246    1.36437  -0.234246    1.36437  0.49668  0.337184  ?        ?         
1 1 1 27 27 37 o 0.562701 0.381313  -0.158492    1.22616  -0.158492    1.22616  -0.158492    1.22616  0.477599 0.322574  ?        ?         
1 1 1 27 27 38 o 0.611245 0.409975  0.168954     1.3571   0.168954     1.3571   0.168954     1.3571   0.54303  0.358209  ?        ?         
1 1 1 27 27 39 o 0.450113 0.327085  -1.79139     1.47319  -1.79139     1.47319  -1.79139     1.47319  0.355956 0.261459  ?        ?         
1 1 1 27 27 40 o 0.660329 0.434973  0.830944     1.40837  0.830944     1.40837  0.830944     1.40837  0.645186 0.399462  ?        ?         
1 1 1 27 27 41 o 1.03723  0.544521  3.00897      1.476    3.00897      1.476    3.00897      1.476    1.33373  0.44156   ?        ?         
1 1 1 28 0  0  o 12.6227  0.173189  159.482      4.37036  159.482      4.37036  159.482      4.37036  12.6256  0.122408  ?        ?         
1 1 1 28 0  1  o 4.23661  0.0707812 17.965       0.599367 17.965       0.599367 17.965       0.599367 4.23756  0.0500228 ?        ?         
1 1 1 28 0  2  o 22.2105  0.213916  493.72       9.50037  493.72       9.50037  493.72       9.50037  22.2151  0.151214  ?        ?         
1 1 1 28 0  3  o 17.683   0.171715  312.889      6.07158  312.889      6.07158  312.889      6.07158  17.6858  0.121388  ?        ?         
1 1 1 28 0  4  o 10.3624  0.108166  107.429      2.24115  107.429      2.24115  107.429      2.24115  10.3636  0.0764664 ?        ?         
1 1 1 28 0  5  o 1.04875  0.234333  1.25152      0.4286   1.25152      0.4286   1.25152      0.4286   1.09073  0.1446    ?        ?         
1 1 1 28 0  6  o 5.06814  0.0795384 25.7069      0.805776 25.7069      0.805776 25.7069      0.805776 5.06917  0.0562151 ?        ?         
1 1 1 28 0  7  o 5.97287  0.0808706 35.6972      0.965659 35.6972      0.965659 35.6972      0.965659 5.97379  0.0571635 ?        ?         
1 1 1 28 0  8  o 1.92179  0.14038   3.75272      0.532943 3.75272      0.532943 3.75272      0.532943 1.92964  0.0982281 ?        ?         
1 1 1 28 0  9  o 12.0853  0.123786  146.12       2.99129  146.12       2.99129  146.12       2.99129  12.0867  0.08751   ?        ?         
1 1 1 28 0  10 o 3.06733  0.0989563 9.43853      0.605631 9.43853      0.605631 9.43853      0.605631 3.06978  0.0698335 ?        ?         
1 1 1 28 0  11 o 4.78285  0.13657   22.9347      1.30398  22.9347      1.30398  22.9347      1.30398  4.78594  0.0964175 ?        ?         
1 1 1 28 0  12 o 21.7747  0.207789  474.419      9.04722  474.419      9.04722  474.419      9.04722  21.7779  0.146892  ?        ?         
1 1 1 28 0  13 o 4.99544  0.1035    24.9886      1.03306  24.9886      1.03306  24.9886      1.03306  4.99715  0.0731252 ?        ?         
1 1 1 28 0  14 o 22.1718  0.233186  491.973      10.3377  491.973      10.3377  491.973      10.3377  22.1761  0.164835  ?        ?         
1 1 1 28 0  15 o 19.4697  0.188417  379.302      7.33527  379.302      7.33527  379.302      7.33527  19.4727  0.133196  ?        ?         
1 1 1 28 0  16 o 3.7759   0.134718  14.3145      1.01443  14.3145      1.01443  14.3145      1.01443  3.77969  0.0950257 ?        ?         
1 1 1 28 0  17 o 20.2529  0.205203  410.496      8.30999  410.496      8.30999  410.496      8.30999  20.2568  0.145056  ?        ?         
1 1 1 28 0  18 o 15.9788  0.176699  255.514      5.64533  255.514      5.64533  255.514      5.64533  15.9818  0.124905  ?        ?         
1 1 1 28 0  19 o 22.6244  0.252178  512.508      11.4075  512.508      11.4075  512.508      11.4075  22.6315  0.178236  ?        ?         
1 1 1 28 0  20 o 5.74448  0.126814  33.0558      1.45536  33.0558      1.45536  33.0558      1.45536  5.74695  0.089583  ?        ?         
1 1 1 28 0  21 o 11.4639  0.153081  131.555      3.50839  131.555      3.50839  131.555      3.50839  11.4668  0.108195  ?        ?         
1 1 1 28 0  22 o 9.11874  0.126619  83.2335      2.30821  83.2335      2.30821  83.2335      2.30821  9.12099  0.0894915 ?        ?         
1 1 1 28 0  23 o 12.4717  0.155084  155.729      3.86698  155.729      3.86698  155.729      3.86698  12.4754  0.109609  ?        ?         
1 1 1 28 0  24 o 1.52949  0.434585  2.85191      1.15044  2.85191      1.15044  2.85191      1.15044  1.62204  0.274323  ?        ?         
1 1 1 28 0  25 o 5.62711  0.131132  31.7427      1.47398  31.7427      1.47398  31.7427      1.47398  5.6306   0.0926095 ?        ?         
1 1 1 28 0  26 o 4.11686  0.170479  17.0638      1.39821  17.0638      1.39821  17.0638      1.39821  4.12388  0.120103  ?        ?         
1 1 1 28 0  27 o 1.14613  0.516657  1.93395      1.26151  1.93395      1.26151  1.93395      1.26151  1.22072  0.410219  ?        ?         
1 1 1 28 0  28 o 0.607447 0.403267  -0.20118     1.24205  -0.20118     1.24205  -0.20118     1.24205  0.501744 0.334747  ?        ?         
1 1 1 28 0  29 o 0.523716 0.361248  -0.712454    1.18915  -0.712454    1.18915  -0.712454    1.18915  0.414309 0.289683  ?        ?         
1 1 1 28 0  30 o 2.71342  0.223432  7.55234      1.19361  7.55234      1.19361  7.55234      1.19361  2.7312   0.15567   ?        ?         
1 1 1 28 0  31 o 0.736838 0.457655  0.475576     1.31516  0.475576     1.31516  0.475576     1.31516  0.657417 0.396646  ?        ?         
1 1 1 28 0  32 o 2.1159   0.341387  4.88612      1.3313   4.88612      1.3313   4.88612      1.3313   2.1686   0.222406  ?        ?         
1 1 1 28 0  33 o 5.44817  0.173254  29.931       1.88351  29.931       1.88351  29.931       1.88351  5.45951  0.122113  ?        ?         
1 1 1 28 0  34 o 3.497    0.20825   12.4636      1.44467  12.4636      1.44467  12.4636      1.44467  3.5138   0.145933  ?        ?         
1 1 1 28 0  35 o 4.62037  0.170101  21.5906      1.56703  21.5906      1.56703  21.5906      1.56703  4.63352  0.11975   ?        ?         
1 1 1 28 0  36 o 5.69742  0.163155  32.7956      1.85567  32.7956      1.85567  32.7956      1.85567  5.71211  0.114963  ?        ?         
1 1 1 28 0  37 o 1.3775   0.542635  2.79073      1.42941  2.79073      1.42941  2.79073      1.42941  1.5167   0.385985  ?        ?         
1 1 1 28 0  38 o 0.701199 0.456596  0.17191      1.49875  0.17191      1.49875  0.17191      1.49875  0.60684  0.39102   ?        ?         
1 1 1 28 0  39 o 1.88656  0.468312  4.4199       1.52756  4.4199       1.52756  4.4199       1.52756  2.01226  0.284658  ?        ?         
1 1 1 28 0  40 o 0.481575 0.347378  -1.85596     1.49056  -1.85596     1.49056  -1.85596     1.49056  0.371317 0.271286  ?        ?         
1 1 1 28 0  41 o 0.971757 0.534334  1.71877      1.47447  1.71877      1.47447  1.71877      1.47447  1.02173  0.469305  ?        ?         
1 1 1 28 0  42 f 1.40252  0.540037  3.15371      1.42825  3.15371      1.42825  3.15371      1.42825  1.59917  0.362789  ?        ?         
1 1 1 28 0  43 o 0.486419 0.35212   -1.7995      1.60273  -1.7995      1.60273  -1.7995      1.60273  0.384742 0.281141  ?        ?         
1 1 1 28 0  44 o 0.408006 0.302765  -3.6472      1.67862  -3.6472      1.67862  -3.6472      1.67862  0.311666 0.233199  ?        ?         
1 1 1 28 0  45 o 0.666026 0.454698  0.737371     1.78825  0.737371     1.78825  0.737371     1.78825  0.63773  0.41693   ?        ?         
1 1 1 28 0  46 o 0.57726  0.407742  0.242279     1.75573  0.242279     1.75573  0.242279     1.75573  0.533779 0.368495  ?        ?         
1 1 1 28 1  0  o 2.03574  0.110248  4.18121      0.445866 4.18121      0.445866 4.18121      0.445866 2.04032  0.0775152 ?        ?         
1 1 1 28 1  1  o 13.9509  0.0969531 194.672      2.70517  195.625      3.84375  193.738      3.80788  13.9834  0.13744   13.9158  0.136819  
1 1 1 28 1  2  o 11.468   0.0805619 131.537      1.84778  130.835      2.57716  132.279      2.65069  11.4365  0.112672  11.4994  0.115253  
1 1 1 28 1  3  o 25.9563  0.178076  674.241      9.24439  672.066      12.8928  676.543      13.2621  25.9049  0.248849  25.99    0.25514   
1 1 1 28 1  4  o 15.0835  0.105591  227.57       3.18536  227.171      4.45004  227.99       4.56157  15.0683  0.147663  15.0952  0.151093  
1 1 1 28 1  5  o 9.65349  0.0715295 93.201       1.38102  91.9787      1.92894  94.4864      1.9781   9.58941  0.100577  9.71922  0.101762  
1 1 1 28 1  6  o 8.93851  0.0716778 79.9057      1.28139  79.1971      1.74025  80.7449      1.89377  8.89834  0.0977852 8.98472  0.105388  
1 1 1 28 1  7  o 14.4419  0.103499  208.612      2.98945  210.08       4.15944  207.044      4.29947  14.4912  0.143516  14.3858  0.149434  
1 1 1 28 1  8  o 2.29024  0.0832345 5.24583      0.381254 5.01633      0.532369 5.48745      0.546247 2.23943  0.118862  2.34225  0.116608  
1 1 1 28 1  9  o 23.7348  0.158898  563.571      7.54285  559.635      10.5952  567.617      10.7407  23.6469  0.224029  23.8148  0.225505  
1 1 1 28 1  10 o 13.4631  0.0982896 181.281      2.64656  181.374      3.74414  181.188      3.74147  13.4656  0.139027  13.4586  0.138999  
1 1 1 28 1  11 o 3.22207  0.0738242 10.3826      0.475734 10.5601      0.668533 10.2005      0.677129 3.24938  0.102871  3.19355  0.106015  
1 1 1 28 1  12 o 10.16    0.0781656 103.234      1.58832  103.663      2.25747  102.813      2.23514  10.1806  0.110872  10.1388  0.110227  
1 1 1 28 1  13 o 7.64012  0.0687383 58.3756      1.05034  59.3811      1.47984  57.3549      1.49103  7.70536  0.0960264 7.57273  0.0984475 
1 1 1 28 1  14 o 16.5567  0.123063  274.196      4.07505  278.22       5.98582  270.72       5.56331  16.6752  0.179482  16.4495  0.169103  
1 1 1 28 1  15 o 22.0549  0.149324  486.633      6.58666  491.606      9.39887  481.834      9.23324  22.1623  0.212047  21.941   0.21041   
1 1 1 28 1  16 o 10.0502  0.09034   101.024      1.81587  98.798       2.48963  103.554      2.65433  9.93807  0.125257  10.1743  0.130443  
1 1 1 28 1  17 f 6.58395  0.0782463 43.3543      1.03034  42.8133      1.45685  43.8957      1.45739  6.54228  0.111341  6.62448  0.110001  
1 1 1 28 1  18 o 10.5087  0.100398  110.461      2.1101   108.132      2.95469  112.886      3.01447  10.396   0.142108  10.6221  0.141897  
1 1 1 28 1  19 o 23.1133  0.174337  534.695      8.05902  537.472      11.5888  532.094      11.2148  23.1624  0.250164  23.0474  0.243298  
1 1 1 28 1  20 o 16.8861  0.128138  285.3        4.32752  282.853      6.15737  287.689      6.08337  16.8086  0.183161  16.9521  0.179428  
1 1 1 28 1  21 o 7.90907  0.0948621 62.5782      1.50054  62.0137      2.11502  63.1502      2.12922  7.87171  0.134343  7.94353  0.134022  
1 1 1 28 1  22 o 2.11451  0.190777  4.47978      0.806798 2.60863      1.13528  6.38904      1.14678  1.57835  0.36638   2.52422  0.227155  
1 1 1 28 1  23 o 5.27538  0.0945079 27.8453      0.99713  30.3181      1.43477  25.5353      1.38677  5.5032   0.130358  5.05021  0.137298  
1 1 1 28 1  24 o 7.68756  0.0912983 59.1369      1.40372  58.9525      1.9843   59.3215      1.98603  7.67301  0.129304  7.69701  0.129013  
1 1 1 28 1  25 o 0.815486 0.324858  0.347256     0.794312 -0.520268    1.13857  1.16984      1.10868  0.781458 0.350581  1.13511  0.396188  
1 1 1 28 1  26 o 9.21543  0.0970002 85.0198      1.7878   86.5087      2.53243  83.5405      2.52424  9.29064  0.136289  9.12957  0.138245  
1 1 1 28 1  27 o 3.61771  0.132957  13.1212      0.962003 13.1424      1.33035  13.0979      1.39274  3.61638  0.183935  3.60938  0.192934  
1 1 1 28 1  28 o 3.22909  0.141838  10.4632      0.916013 9.0563       1.30539  11.8281      1.28571  2.99704  0.217781  3.42873  0.18749   
1 1 1 28 1  29 o 5.42299  0.100101  29.4686      1.08569  30.1857      1.51367  28.7087      1.55809  5.48362  0.138018  5.34661  0.145708  
1 1 1 28 1  30 o 1.31842  0.309286  1.84679      0.802334 1.98652      1.12841  1.7039       1.14104  1.3671   0.39218   1.28208  0.401091  
1 1 1 28 1  31 o 0.960137 0.360464  0.735804     0.937145 0.828992     1.33662  0.6457       1.31431  1.08817  0.424872  1.04373  0.41719   
1 1 1 28 1  32 o 2.57475  0.177699  6.69939      0.915061 7.35398      1.28822  6.03271      1.30005  2.68581  0.239819  2.42687  0.267844  
1 1 1 28 1  33 o 3.02887  0.176216  9.27745      1.06747  8.68444      1.46142  9.95572      1.56295  2.91357  0.250795  3.11962  0.250504  
1 1 1 28 1  34 o 1.86551  0.247397  3.56806      0.923042 2.30849      1.27837  4.94002      1.33418  1.44744  0.418143  2.18045  0.305942  
1 1 1 28 1  35 o 3.44533  0.145462  12.0006      1.00233  11.9445      1.38654  12.0621      1.45064  3.41972  0.202727  3.43343  0.211253  
1 1 1 28 1  36 o 1.82983  0.270116  3.49528      0.988531 4.68519      1.38589  2.26285      1.41042  2.09643  0.330535  1.41243  0.446646  
1 1 1 28 1  37 o 1.22297  0.37061   1.67548      0.984655 0.51555      1.37724  2.88831      1.4083   0.996741 0.415618  1.56877  0.434345  
1 1 1 28 1  38 o 1.99636  0.269456  4.20915      1.07586  5.95609      1.54109  2.54832      1.50263  2.34447  0.328666  1.46319  0.460782  
1 1 1 28 1  39 o 1.27209  0.384115  1.89399      1.05899  2.52141      1.50213  1.27402      1.49319  1.43139  0.461783  1.14225  0.448425  
1 1 1 28 1  40 o 1.30477  0.379508  2.07047      1.04954  1.68523      1.4731   2.46761      1.4957   1.19645  0.451336  1.37992  0.461066  
1 1 1 28 1  41 o 0.895735 0.3662    0.669879     1.04235  0.702803     1.48956  0.638287     1.45911  0.984237 0.422147  0.968548 0.416693  
1 1 1 28 1  42 f 0.622946 0.2968    -0.832892    1.01163  -1.01381     1.40171  -0.63621     1.46148  0.722993 0.345675  0.775069 0.364338  
1 1 1 28 1  43 o 0.85037  0.364553  0.672027     1.1099   0.127862     1.56483  1.22292      1.57448  0.842722 0.390354  0.986157 0.428652  
1 1 1 28 1  44 o 0.853475 0.374135  0.780517     1.22022  1.2756       1.72456  0.284182     1.72675  0.954159 0.429614  0.845267 0.396972  
1 1 1 28 1  45 o 0.719597 0.33792   0.203882     1.25019  1.46311      1.7787   -1.02559     1.75755  0.88161  0.411358  0.689495 0.341419  
1 1 1 28 2  0  o 3.40515  0.0761884 11.6132      0.518279 11.6132      0.518279 11.6132      0.518279 3.40649  0.0538216 ?        ?         
1 1 1 28 2  1  o 27.5712  0.18696   760.803      10.3094  756.516      14.1978  765.584      14.9942  27.4827  0.258304  27.6447  0.271195  
1 1 1 28 2  2  o 17.7764  0.123353  316.114      4.38555  315.147      6.12379  317.132      6.28351  17.7461  0.17254   17.8015  0.176488  
1 1 1 28 2  3  o 20.8422  0.140703  434.6        5.86512  435.718      8.40503  433.538      8.18829  20.8638  0.201426  20.812   0.19672   
1 1 1 28 2  4  o 25.6649  0.174246  659.152      8.944    656.38       12.6006  661.967      12.6974  25.6017  0.24609   25.7103  0.246932  
1 1 1 28 2  5  o 16.4333  0.118809  270.136      3.90485  269.468      5.38485  270.877      5.67082  16.4106  0.164067  16.4529  0.172335  
1 1 1 28 2  6  o 4.12204  0.0605989 16.9925      0.499582 16.2406      0.69718  17.7861      0.716238 4.02965  0.0865062 4.21704  0.0849218 
1 1 1 28 2  7  o 10.3924  0.0782866 108.015      1.62718  106.15       2.27261  109.976      2.33084  10.3018  0.110302  10.4858  0.111143  
1 1 1 28 2  8  o 9.24212  0.0721957 85.4242      1.33448  86.3864      1.95251  84.5806      1.82811  9.29356  0.105047  9.196    0.0993971 
1 1 1 28 2  9  o 17.8284  0.125078  317.927      4.45987  322.59       6.3233   313.31       6.29124  17.9565  0.176073  17.6962  0.177757  
1 1 1 28 2  10 o 7.51364  0.0640704 56.4581      0.962803 57.3988      1.36601  55.5295      1.35725  7.57574  0.090157  7.45135  0.0910741 
1 1 1 28 2  11 o 19.9846  0.138098  399.496      5.51965  396.409      7.58643  402.969      8.04571  19.9045  0.19057   20.068   0.200461  
1 1 1 28 2  12 o 26.4655  0.185369  700.782      9.81179  696.99       13.8097  704.647      13.9432  26.3867  0.261679  26.5312  0.26277   
1 1 1 28 2  13 o 10.5254  0.0893361 110.799      1.8806   112.267      2.68255  109.38       2.63718  10.5942  0.126604  10.4571  0.126095  
1 1 1 28 2  14 o 25.2206  0.173273  636.424      8.7401   635.863      12.6217  636.941      12.1146  25.2019  0.250413  25.2244  0.240136  
1 1 1 28 2  15 o 13.1521  0.098832  173.013      2.59971  172.153      3.62122  173.928      3.73448  13.1182  0.138023  13.1855  0.141613  
1 1 1 28 2  16 o 10.9794  0.0863486 120.566      1.89611  118.339      2.61822  123.022      2.7496   10.8767  0.120359  11.0897  0.123971  
1 1 1 28 2  17 o 20.8387  0.154632  434.491      6.44464  433.369      9.20718  435.569      9.02379  20.8057  0.221266  20.8589  0.216305  
1 1 1 28 2  18 o 21.4131  0.161128  458.834      6.90053  464.698      9.87517  453.238      9.64649  21.5419  0.229208  21.275   0.22671   
1 1 1 28 2  19 f 19.2134  0.147668  369.396      5.67441  365.77       7.84734  373.368      8.21494  19.113   0.205288  19.3096  0.212716  
1 1 1 28 2  20 o 3.12803  0.139258  9.79141      0.871209 9.80274      1.23945  9.78034      1.22483  3.12871  0.198076  3.12518  0.195962  
1 1 1 28 2  21 o 10.2179  0.0968305 104.451      1.97882  104.856      2.80463  104.049      2.79235  10.2355  0.137005  10.196   0.136933  
1 1 1 28 2  22 o 10.7027  0.0919848 114.602      1.96898  114.317      2.79897  114.882      2.77036  10.6869  0.130954  10.7134  0.129295  
1 1 1 28 2  23 o 8.28655  0.0866674 68.7008      1.43635  68.1032      2.03023  69.2997      2.03237  8.24831  0.12307   8.32051  0.12213   
1 1 1 28 2  24 o 5.95586  0.0899862 35.4957      1.07189  36.4191      1.51394  34.5677      1.51783  6.0309   0.125515  5.87538  0.129169  
1 1 1 28 2  25 o 6.0237   0.0929149 36.3182      1.11938  36.9834      1.56916  35.6288      1.59731  6.07607  0.129126  5.96336  0.133927  
1 1 1 28 2  26 o 5.77131  0.0963244 33.3465      1.11184  33.0968      1.55024  33.6109      1.59548  5.74646  0.134887  5.79064  0.137764  
1 1 1 28 2  27 o 8.87607  0.0949246 78.8896      1.68512  78.568       2.35391  79.2276      2.41343  8.8522   0.132956  8.88878  0.135757  
1 1 1 28 2  28 o 5.84402  0.100485  34.214       1.17447  33.5993      1.68445  34.7957      1.63842  5.78552  0.145574  5.88859  0.139119  
1 1 1 28 2  29 o 5.30244  0.101384  28.1755      1.07516  27.7795      1.47119  28.6294      1.57515  5.26008  0.139845  5.33874  0.147521  
1 1 1 28 2  30 o 2.50852  0.167951  6.33616      0.842617 5.71969      1.19439  6.94699      1.18891  2.37328  0.251633  2.61926  0.226955  
1 1 1 28 2  31 o 3.24387  0.15599   10.5978      1.01202  11.3328      1.41849  9.83585      1.44429  3.34457  0.212059  3.11188  0.232061  
1 1 1 28 2  32 o 3.77313  0.131715  14.3217      0.993953 13.6821      1.36703  15.039       1.44777  3.67689  0.185895  3.85444  0.187805  
1 1 1 28 2  33 o 1.33924  0.354712  1.94462      0.965346 2.67077      1.33605  1.15145      1.39636  1.55617  0.419644  1.16428  0.439357  
1 1 1 28 2  34 o 2.6711   0.175138  7.23027      0.935623 7.1677       1.28545  7.30076      1.36441  2.6432   0.243163  2.66394  0.256089  
1 1 1 28 2  35 o 1.25747  0.345236  1.7376       0.89431  2.29146      1.24304  1.1433       1.28763  1.42879  0.412187  1.12462  0.422465  
1 1 1 28 2  36 o 0.859908 0.348709  0.420396     0.937147 1.3996       1.32642  -0.555574    1.32423  1.18423  0.431323  0.817578 0.371491  
1 1 1 28 2  37 o 1.99967  0.254462  4.18961      1.01768  2.63086      1.37843  6.0572       1.50882  1.49663  0.434801  2.37468  0.317689  
1 1 1 28 2  38 o 1.9418   0.269185  3.98976      1.0454   4.33926      1.469    3.63114      1.48804  1.94166  0.392014  1.75026  0.428054  
1 1 1 28 2  39 o 0.687973 0.317753  -0.597976    1.02725  0.323741     1.45467  -1.51484     1.45083  0.958878 0.414332  0.732018 0.350394  
1 1 1 28 2  40 o 1.22363  0.375251  1.80908      1.00546  2.03574      1.37959  1.5523       1.46842  1.27427  0.442218  1.16453  0.447284  
1 1 1 28 2  41 o 0.946593 0.371185  0.914522     1.02242  1.55339      1.47188  0.31881      1.4213   1.13292  0.445069  0.908432 0.400769  
1 1 1 28 2  42 o 0.723072 0.326652  -0.0785566   1.00529  -0.276457    1.38303  0.143131     1.46379  0.795772 0.367983  0.865236 0.392346  
1 1 1 28 2  43 o 0.888969 0.372889  0.889156     1.11905  1.14077      1.57622  0.633441     1.58902  0.967618 0.424691  0.89978  0.408335  
1 1 1 28 2  44 o 0.813446 0.365248  0.591718     1.23819  0.142889     1.7753   1.01685      1.72779  0.824695 0.393036  0.907874 0.416396  
1 1 1 28 2  45 o 0.688451 0.328308  -0.100319    1.24367  0.0869086    1.75283  -0.290126    1.76487  0.764475 0.370134  0.738725 0.360882  
1 1 1 28 3  0  o 9.69519  0.102674  94.04        1.99039  94.04        1.99039  94.04        1.99039  9.6963   0.0725843 ?        ?         
1 1 1 28 3  1  o 17.0897  0.118632  292.156      4.05477  291.217      5.78139  293.064      5.68837  17.0593  0.16945   17.1135  0.166196  
1 1 1 28 3  2  o 12.2875  0.0860413 151.009      2.11447  152.197      3.04118  149.898      2.94191  12.3346  0.123279  12.2412  0.120164  
1 1 1 28 3  3  o 14.331   0.100758  205.425      2.88792  205.903      3.96655  204.886      4.21285  14.3461  0.138245  14.3102  0.147197  
1 1 1 28 3  4  o 8.48743  0.0688634 72.0438      1.16895  73.3761      1.64896  70.6978      1.65735  8.56511  0.09626   8.4073   0.0985663 
1 1 1 28 3  5  o 22.1048  0.154172  488.857      6.8159   488.043      9.41088  489.755      9.88486  22.0815  0.213095  22.1191  0.223446  
1 1 1 28 3  6  o 10.6483  0.0826204 113.401      1.75953  115.032      2.55925  111.938      2.42305  10.7239  0.119325  10.5788  0.114524  
1 1 1 28 3  7  o 12.2885  0.0930583 151.029      2.28709  150.518      3.18867  151.57       3.28223  12.2668  0.129972  12.3095  0.133321  
1 1 1 28 3  8  o 18.5497  0.132373  344.186      4.91095  347.98       6.94163  340.384      6.94864  18.649   0.186113  18.4442  0.188369  
1 1 1 28 3  9  o 12.5198  0.0891849 156.762      2.23314  159.348      3.1726   154.223      3.14388  12.6218  0.125679  12.4172  0.126594  
1 1 1 28 3  10 o 14.5705  0.105544  212.334      3.07564  213.118      4.36984  211.565      4.32967  14.5961  0.149692  14.5429  0.148859  
1 1 1 28 3  11 o 26.6682  0.18045   711.535      9.62454  714.88       13.5286  708.108      13.6952  26.7242  0.253115  26.5969  0.257459  
1 1 1 28 3  12 o 18.2229  0.131539  332.159      4.79402  328.951      6.64325  335.646      6.92507  18.1323  0.183188  18.3156  0.189048  
1 1 1 28 3  13 o 11.1784  0.0859363 124.971      1.92125  126.123      2.84305  124.002      2.60647  11.2289  0.126594  11.1343  0.117046  
1 1 1 28 3  14 o 16.1731  0.112558  261.631      3.64082  258.718      5.10996  264.634      5.18874  16.0808  0.158883  16.2636  0.15952   
1 1 1 28 3  15 o 8.72345  0.084319  76.1098      1.4711   76.2055      2.03271  76.0046      2.13174  8.72835  0.116443  8.71671  0.122279  
1 1 1 28 3  16 o 3.24005  0.0985546 10.5001      0.638643 11.2919      0.912405 9.73963      0.894225 3.35966  0.135788  3.12014  0.143299  
1 1 1 28 3  17 o 9.65984  0.091202  93.3311      1.76199  91.677       2.48097  95.0144      2.50285  9.57287  0.129583  9.74559  0.128409  
1 1 1 28 3  18 o 14.6201  0.118659  213.828      3.4696   214.112      4.84296  213.528      4.97316  14.6271  0.165548  14.6068  0.170234  
1 1 1 28 3  19 o 13.1818  0.109318  173.824      2.88202  171.279      3.97302  176.651      4.18698  13.0827  0.151843  13.2859  0.157573  
1 1 1 28 3  20 o 10.4113  0.101602  108.438      2.11562  110.675      2.91512  105.949      3.07516  10.5163  0.1386    10.2887  0.149443  
1 1 1 28 3  21 o 12.1627  0.107954  148.014      2.62602  151.036      3.65534  144.79       3.77507  12.2831  0.148795  12.0257  0.156958  
1 1 1 28 3  22 o 5.35212  0.0896684 28.6583      0.959832 29.2021      1.36418  28.1252      1.35073  5.40144  0.12628   5.30086  0.127407  
1 1 1 28 3  23 o 2.54204  0.159934  6.47333      0.813116 7.13875      1.13804  5.77939      1.16218  2.66763  0.213306  2.39915  0.242207  
1 1 1 28 3  24 o 7.87909  0.0874548 62.1213      1.37813  62.4394      1.91569  61.78        1.98405  7.8968   0.121295  7.85456  0.126299  
1 1 1 28 3  25 o 7.35217  0.093329  54.1055      1.37234  51.9311      1.92214  56.3664      1.95997  7.19937  0.133494  7.50082  0.130651  
1 1 1 28 3  26 o 1.18514  0.333509  1.46433      0.823702 1.40732      1.12988  1.52898      1.20337  1.20405  0.400735  1.25029  0.413563  
1 1 1 28 3  27 f 7.88304  0.0940051 62.2258      1.48209  60.7276      2.10886  63.688       2.08337  7.78181  0.135499  7.97001  0.1307    
1 1 1 28 3  28 o 2.13868  0.194634  4.60578      0.83252  5.43084      1.21519  3.87602      1.14286  2.31578  0.262372  1.95342  0.292528  
1 1 1 28 3  29 o 7.51055  0.0951474 56.516       1.42922  57.1457      1.95127  55.787       2.09928  7.54631  0.129286  7.45364  0.140823  
1 1 1 28 3  30 o 4.56769  0.109071  20.9269      0.996401 21.5336      1.44964  20.3836      1.37183  4.62607  0.156681  4.5016   0.152371  
1 1 1 28 3  31 o 7.59059  0.104653  57.8064      1.58875  59.3932      2.17767  56.0008      2.32304  7.68366  0.141708  7.45635  0.155776  
1 1 1 28 3  32 o 1.96501  0.231365  3.93493      0.909267 3.93292      1.22099  3.93745      1.36239  1.94917  0.313208  1.90965  0.369916  
1 1 1 28 3  33 o 0.901482 0.356552  0.520926     0.950588 1.03289      1.29018  -0.0870336   1.40594  1.11384  0.421734  0.929037 0.404461  
1 1 1 28 3  34 o 2.06083  0.213914  4.33728      0.881683 4.3286       1.224    4.34665      1.27111  2.03835  0.300242  2.03943  0.311633  
1 1 1 28 3  35 o 0.650004 0.297089  -0.519561    0.871037 -0.030904    1.21403  -1.03797     1.25044  0.863988 0.375988  0.733024 0.343091  
1 1 1 28 3  36 f 2.75213  0.180394  7.7276       0.992937 7.74116      1.41388  7.71441      1.39476  2.72521  0.259409  2.72185  0.256216  
1 1 1 28 3  37 o 1.0852   0.378074  1.23379      1.00923  1.08848      1.38968  1.39595      1.46809  1.10946  0.433216  1.18856  0.449918  
1 1 1 28 3  38 o 1.23124  0.381927  1.73178      1.03755  1.35729      1.47511  2.09845      1.45964  1.1701   0.448626  1.34107  0.455475  
1 1 1 28 3  39 o 0.651073 0.306009  -0.872326    1.03029  -1.47126     1.46075  -0.279411    1.45339  0.737101 0.35253   0.867308 0.392237  
1 1 1 28 3  40 o 0.659174 0.307638  -0.652381    0.995517 -1.29691     1.36712  0.0751632    1.4525   0.713842 0.341319  0.89957  0.399958  
1 1 1 28 3  41 o 0.95113  0.370566  0.948246     1.01564  1.89144      1.44516  0.0277781    1.42765  1.1994   0.448154  0.86406  0.389865  
1 1 1 28 3  42 o 0.859274 0.359231  0.627952     1.03303  0.235933     1.4228   1.06499      1.50229  0.867481 0.390425  1.00451  0.427163  
1 1 1 28 3  43 o 0.581153 0.284042  -1.3286      1.09678  -1.25741     1.54142  -1.40161     1.56093  0.702149 0.341943  0.694965 0.339479  
1 1 1 28 3  44 o 1.25351  0.417781  2.75271      1.22804  4.22653      1.78372  1.42462      1.69324  1.38483  0.500592  0.935143 0.423117  
1 1 1 28 3  45 o 0.665766 0.320736  -0.376997    1.26536  -0.296004    1.80125  -0.455909    1.77796  0.743517 0.36354   0.731227 0.358415  
1 1 1 28 4  0  o 2.72668  0.0935118 7.4617       0.508593 7.4617       0.508593 7.4617       0.508593 2.72915  0.0659738 ?        ?         
1 1 1 28 4  1  o 22.8413  0.155397  522.008      7.09893  520.516      10.0118  523.516      10.0673  22.8023  0.219534  22.8678  0.220118  
1 1 1 28 4  2  o 4.16044  0.0538418 17.3103      0.448011 18.4411      0.653708 16.3088      0.615211 4.29404  0.0761181 4.03816  0.0761747 
1 1 1 28 4  3  o 7.72598  0.0647392 59.696       1.00035  60.1351      1.44309  59.2898      1.38793  7.75397  0.0930552 7.69932  0.090133  
1 1 1 28 4  4  o 7.49855  0.0654066 56.233       0.980909 54.6764      1.3366   58.05        1.44405  7.39374  0.0903872 7.61836  0.0947744 
1 1 1 28 4  5  o 14.7431  0.105118  217.404      3.09952  214.414      4.23493  220.852      4.54863  14.64    0.144636  14.8578  0.153072  
1 1 1 28 4  6  o 16.9277  0.12258   286.623      4.15001  285.449      5.84823  287.813      5.89     16.8908  0.173119  16.9605  0.173638  
1 1 1 28 4  7  o 14.5269  0.105329  211.068      3.06021  209.65       4.35266  212.454      4.30335  14.4766  0.150334  14.5732  0.147646  
1 1 1 28 4  8  o 14.1332  0.101993  199.779      2.88298  199.598      3.98752  199.976      4.17311  14.1258  0.141144  14.1389  0.147575  
1 1 1 28 4  9  o 4.54479  0.0582805 20.6562      0.529746 20.8262      0.753267 20.4898      0.745148 4.56335  0.0825345 4.52633  0.0823125 
1 1 1 28 4  10 o 27.3901  0.184872  750.596      10.1273  747.861      14.132   753.483      14.5203  27.3332  0.258513  27.4351  0.26463   
1 1 1 28 4  11 o 13.5231  0.0983977 182.899      2.66127  184.159      3.74712  181.617      3.78032  13.5686  0.138081  13.4745  0.140277  
1 1 1 28 4  12 o 9.13707  0.0747345 83.4933      1.36571  85.5623      1.94369  81.4757      1.91935  9.24918  0.105073  9.02558  0.106328  
1 1 1 28 4  13 o 12.8793  0.0945449 165.901      2.43534  166.952      3.46292  164.873      3.42556  12.9189  0.134025  12.8383  0.133412  
1 1 1 28 4  14 o 12.8155  0.0939284 164.266      2.40748  166.219      3.48307  162.48       3.33137  12.8902  0.135105  12.7446  0.130698  
1 1 1 28 4  15 o 7.4118   0.0829142 54.9427      1.22909  54.4143      1.75624  55.45        1.72069  7.3755   0.119059  7.44542  0.115554  
1 1 1 28 4  16 o 16.0712  0.115872  258.361      3.7244   260.897      5.32107  255.925      5.21474  16.1474  0.164765  15.9929  0.163033  
1 1 1 28 4  17 o 19.1932  0.142116  368.564      5.45531  366.691      7.67441  370.477      7.75617  19.1395  0.200486  19.238   0.201585  
1 1 1 28 4  18 o 17.4205  0.134148  303.626      4.67383  304.306      6.81473  303.023      6.4223   17.4349  0.195434  17.3991  0.184558  
1 1 1 28 4  19 o 8.56961  0.0975985 73.4609      1.67276  74.5836      2.42275  72.4381      2.3124   8.63342  0.140312  8.50851  0.135887  
1 1 1 28 4  20 o 6.53592  0.0882501 42.732       1.15359  42.1075      1.55657  43.493       1.71823  6.48709  0.119975  6.59259  0.130315  
1 1 1 28 4  21 o 6.06394  0.0951573 36.788       1.15406  34.3161      1.61965  39.3373      1.6448   5.85518  0.138309  6.26924  0.13118   
1 1 1 28 4  22 o 3.89089  0.108569  15.1497      0.844862 15.7029      1.17972  14.5672      1.2105   3.96005  0.148953  3.81383  0.158699  
1 1 1 28 4  23 o 7.16216  0.0859789 51.3238      1.23159  50.7622      1.69705  51.9487      1.79013  7.12107  0.119157  7.20349  0.124255  
1 1 1 28 4  24 o 4.02043  0.107211  16.1811      0.862067 16.2865      1.21382  16.0739      1.22454  4.03142  0.150545  4.00489  0.152881  
1 1 1 28 4  25 o 3.2803   0.133825  10.7819      0.87797  10.1917      1.23007  11.3948      1.25353  3.18581  0.193056  3.3691   0.186034  
1 1 1 28 4  26 o 1.8436   0.235505  3.42452      0.868355 3.88274      1.18119  2.88563      1.28095  1.9584   0.301571  1.64905  0.393343  
1 1 1 28 4  27 o 4.21849  0.117723  17.8346      0.993224 16.7992      1.47372  18.6963      1.34443  4.0881   0.180245  4.31557  0.155765  
1 1 1 28 4  28 o 1.42603  0.294792  2.14135      0.812196 1.20259      1.18633  2.96954      1.11428  1.15242  0.409071  1.67508  0.344417  
1 1 1 28 4  29 o 2.12945  0.193297  4.57125      0.823232 4.43189      1.12264  4.73336      1.21081  2.08904  0.268696  2.15743  0.280614  
1 1 1 28 4  30 o 4.00113  0.12171   16.0719      0.973956 15.9002      1.35734  16.2541      1.39834  3.97228  0.170851  4.01566  0.174111  
1 1 1 28 4  31 o 3.16116  0.153577  10.0654      0.970962 9.05999      1.31365  11.2761      1.44154  2.98781  0.219836  3.33406  0.216183  
1 1 1 28 4  32 o 3.53984  0.147541  12.6288      1.04454  12.4716      1.42008  12.8143      1.54184  3.50551  0.202549  3.54946  0.217193  
1 1 1 28 4  33 o 3.67185  0.140617  13.5878      1.03265  12.2019      1.39591  15.263       1.53471  3.46546  0.201403  3.8769   0.19793   
1 1 1 28 4  34 f 0.892545 0.342408  0.61584      0.859707 0.454257     1.19117  0.791518     1.24204  0.952428 0.390773  1.03788  0.408491  
1 1 1 28 4  35 o 2.8671   0.165634  8.34865      0.949779 7.80953      1.33193  8.90638      1.35474  2.74879  0.242276  2.94006  0.230393  
1 1 1 28 4  36 o 2.77867  0.174082  7.87007      0.967435 7.85757      1.36525  7.88268      1.37109  2.74921  0.248299  2.75331  0.248989  
1 1 1 28 4  37 o 2.84837  0.186233  8.32471      1.06092  5.76159      1.44848  11.2912      1.55828  2.31685  0.312596  3.29172  0.236697  
1 1 1 28 4  38 o 1.66837  0.318738  3.10606      1.0255   2.30909      1.4134   3.99198      1.49019  1.39002  0.447888  1.83667  0.415362  
1 1 1 28 4  39 o 0.887529 0.359959  0.571758     0.998783 -0.54666     1.43633  1.61889      1.3898   0.825909 0.37916   1.1929   0.440723  
1 1 1 28 4  40 o 0.860805 0.354424  0.518944     0.983303 0.00889705   1.37065  1.05981      1.41145  0.868099 0.387171  1.05351  0.427657  
1 1 1 28 4  41 o 2.03902  0.257919  4.6054       1.0518   4.89829      1.4875   4.31254      1.48745  1.96388  0.392595  1.81011  0.418849  
1 1 1 28 4  42 o 0.943349 0.374014  1.00074      1.04831  0.890952     1.45349  1.11976      1.51339  0.967437 0.416043  1.01119  0.429333  
1 1 1 28 4  43 o 0.554065 0.273384  -1.66412     1.10198  -2.40441     1.52348  -0.851746    1.59593  0.61986  0.308678  0.740158 0.35746   
1 1 1 28 4  44 o 0.956157 0.395145  1.58817      1.22767  1.29841      1.68966  1.9122       1.78679  0.903213 0.413219  0.973245 0.437802  
1 1 1 28 4  45 o 0.63211  0.30785   -0.668581    1.24993  0.146076     1.76401  -1.49005     1.77136  0.762094 0.369581  0.662907 0.330495  
1 1 1 28 5  0  o 20.56    0.19845   423.003      8.15856  423.003      8.15856  423.003      8.15856  20.5635  0.140287  ?        ?         
1 1 1 28 5  1  o 23.439   0.157802  549.665      7.39743  555.17       10.4544  544.144      10.4687  23.55    0.221962  23.3147  0.224509  
1 1 1 28 5  2  o 24.1313  0.166314  582.639      8.02675  584.535      11.5111  580.844      11.1985  24.1633  0.238194  24.0875  0.232454  
1 1 1 28 5  3  o 10.3698  0.0790027 107.546      1.63848  106.985      2.30382  108.12       2.33074  10.3421  0.111381  10.3968  0.11209   
1 1 1 28 5  4  o 4.05094  0.0559488 16.4111      0.453291 16.5781      0.636275 16.2389      0.645934 4.07139  0.0781398 4.02951  0.0801504 
1 1 1 28 5  5  o 13.856   0.0974872 192.019      2.70156  190.282      3.71234  193.975      3.93888  13.7921  0.134582  13.925   0.141431  
1 1 1 28 5  6  f 14.3257  0.105062  205.263      3.01018  202.839      4.21672  207.781      4.29852  14.2396  0.148063  14.412   0.149131  
1 1 1 28 5  7  o 24.2515  0.167101  588.388      8.10492  594.361      11.4378  582.364      11.4865  24.3691  0.23468   24.1216  0.238096  
1 1 1 28 5  8  o 11.091   0.0825588 123.023      1.83132  123.912      2.63914  122.197      2.54327  11.1304  0.118556  11.0532  0.115047  
1 1 1 28 5  9  o 10.7237  0.0790238 115.009      1.69486  114.992      2.37543  115.027      2.41895  10.7224  0.110769  10.724   0.112781  
1 1 1 28 5  10 o 18.8457  0.132041  355.254      4.97681  355.827      6.97936  354.661      7.09871  18.8585  0.185046  18.8274  0.188521  
1 1 1 28 5  11 o 8.49042  0.0724444 72.0929      1.23017  74.2546      1.80278  70.2094      1.68284  8.61638  0.104613  8.37845  0.100427  
1 1 1 28 5  12 o 9.10902  0.0732627 82.9816      1.3347   81.2713      1.88805  84.6901      1.88706  9.01423  0.104726  9.20191  0.102536  
1 1 1 28 5  13 o 8.22402  0.0713052 67.6409      1.17283  68.4799      1.67668  66.8371      1.64116  8.27446  0.101316  8.17462  0.100381  
1 1 1 28 5  14 o 6.98465  0.0723902 48.7906      1.01124  48.6287      1.38469  48.9756      1.48031  6.97273  0.0992934 6.99745  0.105775  
1 1 1 28 5  15 o 17.7699  0.125726  315.876      4.46826  317.176      6.49694  314.709      6.15505  17.8031  0.182467  17.7343  0.173535  
1 1 1 28 5  16 o 4.24212  0.0898508 17.9989      0.762316 17.5683      1.02162  18.5399      1.14506  4.19073  0.121891  4.30491  0.132994  
1 1 1 28 5  17 o 10.9415  0.0971135 119.745      2.12513  117.424      3.10679  121.786      2.91331  10.8333  0.14339   11.0332  0.132025  
1 1 1 28 5  18 o 11.6161  0.100555  134.975      2.33613  138.407      3.48586  132.177      3.14756  11.7608  0.148198  11.4936  0.136926  
1 1 1 28 5  19 o 6.1642   0.0899783 38.008       1.10929  38.3764      1.55315  37.6244      1.58487  6.19317  0.125392  6.13209  0.129227  
1 1 1 28 5  20 o 11.9775  0.102608  143.527      2.45798  141.244      3.29217  146.401      3.69479  11.8795  0.138565  12.0933  0.152761  
1 1 1 28 5  21 o 9.99068  0.0944926 99.8607      1.88809  99.1084      2.58794  100.717      2.76076  9.9509   0.130035  10.0308  0.137614  
1 1 1 28 5  22 o 8.95295  0.0862906 80.1925      1.54511  79.6842      2.13928  80.7468      2.23403  8.92257  0.11988   8.98155  0.124368  
1 1 1 28 5  23 o 5.34619  0.0899311 28.5993      0.961578 28.6285      1.35394  28.5696      1.36589  5.34728  0.126601  5.3417   0.127852  
1 1 1 28 5  24 o 7.97228  0.0884057 63.6068      1.40959  64.461       2.0185   62.7937      1.96933  8.02248  0.125803  7.91819  0.124355  
1 1 1 28 5  25 o 6.84504  0.0883088 46.8968      1.20896  47.6179      1.74769  46.2351      1.67413  6.89415  0.126751  6.79366  0.123212  
1 1 1 28 5  26 o 1.46255  0.289745  2.23744      0.817393 1.01595      1.12554  3.60058      1.18901  1.09452  0.397451  1.85583  0.332372  
1 1 1 28 5  27 f 4.30056  0.113605  18.5341      0.97713  19.2179      1.49956  18.0295      1.28815  4.37316  0.17145   4.238    0.151976  
1 1 1 28 5  28 o 1.64433  0.250627  2.73725      0.824224 2.38444      1.15761  3.10001      1.17382  1.49443  0.385022  1.70928  0.355184  
1 1 1 28 5  29 f 2.0514   0.19691   4.24487      0.807885 4.51788      1.13725  3.96675      1.14787  2.10847  0.269687  1.97311  0.290878  
1 1 1 28 5  30 o 3.84902  0.125535  14.8793      0.966377 14.7729      1.32068  15.002       1.41781  3.82802  0.172501  3.85548  0.18387   
1 1 1 28 5  31 o 1.75038  0.254216  3.12632      0.889948 2.82797      1.2143   3.47253      1.30808  1.61395  0.381705  1.79239  0.376823  
1 1 1 28 5  32 o 0.813946 0.340257  0.180449     0.926688 0.0553066    1.26941  0.323231     1.35593  0.910058 0.389997  0.985633 0.411777  
1 1 1 28 5  33 o 0.734888 0.321065  -0.124284    0.892368 -1.7121      1.22731  1.65663      1.2998   0.659227 0.317167  1.26935  0.429813  
1 1 1 28 5  34 o 1.05638  0.349449  1.15025      0.859182 1.92363      1.18901  0.305163     1.24291  1.32409  0.408478  0.937635 0.393128  
1 1 1 28 5  35 f 3.35088  0.147232  11.369       0.986713 11.233       1.39533  11.505       1.39551  3.30924  0.210824  3.35007  0.208281  
1 1 1 28 5  36 o 1.77132  0.262935  3.27938      0.931482 3.62406      1.30589  2.92236      1.32904  1.7946   0.375929  1.59274  0.413615  
1 1 1 28 5  37 o 2.03251  0.251302  4.32848      1.02155  3.44686      1.40617  5.31378      1.48655  1.71832  0.413555  2.21255  0.335935  
1 1 1 28 5  38 o 2.69426  0.19531   7.50203      1.05243  8.18733      1.44742  6.73331      1.53298  2.77997  0.260331  2.49366  0.307376  
1 1 1 28 5  39 o 1.51001  0.35316   2.67956      1.0486   2.23476      1.57922  3.03032      1.40238  1.33476  0.472155  1.55276  0.434586  
1 1 1 28 5  40 o 1.30775  0.361228  2.07391      0.975452 1.83074      1.36362  2.32876      1.39594  1.21475  0.43783   1.33832  0.445425  
1 1 1 28 5  41 o 1.01006  0.379526  1.19839      1.03931  1.17049      1.39329  1.23338      1.56048  1.03333  0.423072  1.06036  0.442291  
1 1 1 28 5  42 o 0.851288 0.35654   0.632085     1.02049  0.325133     1.43833  0.943225     1.4481   0.873636 0.392908  0.967664 0.415675  
1 1 1 28 5  43 o 0.973738 0.39095   1.34938      1.16152  2.59596      1.65564  0.141211     1.62993  1.18627  0.470123  0.834464 0.390772  
1 1 1 28 5  44 o 0.862774 0.376505  1.11721      1.22423  0.0582808    1.68305  2.30699      1.78401  0.773848 0.372094  1.01255  0.447556  
1 1 1 28 5  45 o 0.742664 0.344138  0.514234     1.21774  1.004        1.67419  -0.0359573   1.77447  0.817677 0.385991  0.739907 0.361554  
1 1 1 28 6  0  o 15.0986  0.151575  228.085      4.57608  228.085      4.57608  228.085      4.57608  15.1005  0.107153  ?        ?         
1 1 1 28 6  1  o 15.0723  0.107013  227.223      3.22586  229.043      4.70396  225.607      4.43228  15.1307  0.155444  15.0171  0.147574  
1 1 1 28 6  2  o 16.8857  0.120649  285.203      4.07448  284.057      5.8122   286.31       5.71345  16.8493  0.172476  16.9162  0.168875  
1 1 1 28 6  3  o 11.6316  0.0823729 135.311      1.91626  134.175      2.66043  136.537      2.76246  11.582   0.114852  11.6834  0.118221  
1 1 1 28 6  4  o 7.30042  0.0594356 53.2993      0.867809 54.5495      1.25108  52.1399      1.20476  7.38531  0.0847007 7.22036  0.0834282 
1 1 1 28 6  5  o 6.3264   0.0570467 40.0254      0.721801 40.4862      1.02868  39.5785      1.01306  6.36253  0.0808387 6.29081  0.0805192 
1 1 1 28 6  6  o 14.613   0.103315  213.576      3.01949  214.037      4.3254   213.138      4.21705  14.6275  0.147852  14.5969  0.144451  
1 1 1 28 6  7  o 8.29949  0.0672057 68.886       1.11555  68.2279      1.5403   69.612       1.61779  8.25949  0.0932445 8.3428   0.0969571 
1 1 1 28 6  8  o 8.72865  0.0719449 76.1951      1.25596  77.7349      1.77043  74.6351      1.78203  8.81607  0.100409  8.63847  0.103145  
1 1 1 28 6  9  o 4.02188  0.0626044 16.1764      0.503574 16.4794      0.713552 15.8759      0.71078  4.05924  0.0878923 3.98421  0.0891995 
1 1 1 28 6  10 o 27.8404  0.192022  775.513      10.6919  775.727      15.3149  775.309      14.9335  27.8358  0.275095  27.829   0.268309  
1 1 1 28 6  11 o 12.5981  0.0918385 158.734      2.31399  158.212      3.33961  159.216      3.20923  12.5765  0.132772  12.6164  0.127185  
1 1 1 28 6  12 o 23.9098  0.162371  571.939      7.76452  573.215      10.8982  570.623      11.0651  23.931   0.227701  23.8764  0.231715  
1 1 1 28 6  13 o 13.0509  0.103197  170.361      2.69362  172.994      3.86783  167.881      3.75347  13.1499  0.147066  12.9542  0.144875  
1 1 1 28 6  14 o 10.9181  0.0851266 119.224      1.85885  118.26       2.62092  120.2        2.63677  10.8731  0.120524  10.9619  0.12027   
1 1 1 28 6  15 o 13.3984  0.101441  179.559      2.7183   178.021      3.80772  181.157      3.88185  13.3395  0.142724  13.4564  0.144238  
1 1 1 28 6  16 o 5.19332  0.0857779 26.9753      0.890944 25.7699      1.22314  28.3377      1.30037  5.07552  0.120494  5.32236  0.122161  
1 1 1 28 6  17 o 18.7821  0.135658  352.941      5.09588  357.368      7.28478  348.699      7.131    18.8946  0.192774  18.6642  0.191034  
1 1 1 28 6  18 o 14.3725  0.119249  206.659      3.4278   211.666      5.00846  202.246      4.70137  14.5421  0.172205  14.2153  0.165363  
1 1 1 28 6  19 o 8.24171  0.0903202 67.9464      1.48879  68.4568      2.09779  67.4285      2.11322  8.27137  0.12681   8.20894  0.128715  
1 1 1 28 6  20 o 10.1531  0.094372  103.127      1.91633  103.11       2.64898  103.147      2.77566  10.1502  0.130488  10.1517  0.136709  
1 1 1 28 6  21 o 10.9389  0.0956289 119.72       2.09215  121.831      2.95996  117.613      2.95754  11.0323  0.13415   10.8394  0.136426  
1 1 1 28 6  22 o 6.98446  0.083789  48.8051      1.17044  48.5865      1.63465  49.0351      1.67665  6.96722  0.11731   6.99918  0.119775  
1 1 1 28 6  23 o 7.25183  0.0838868 52.6189      1.21667  51.3359      1.69606  53.979       1.74629  7.16082  0.118426  7.34281  0.118911  
1 1 1 28 6  24 o 6.28901  0.0898106 39.585       1.12964  38.7741      1.58535  40.4214      1.61004  6.22164  0.127406  6.35249  0.126725  
1 1 1 28 6  25 o 2.72745  0.147569  7.45862      0.804977 7.11837      1.1333   7.80507      1.14359  2.6607   0.21297   2.78663  0.205191  
1 1 1 28 6  26 o 1.49571  0.290333  2.33895      0.83751  0.847251     1.16582  3.92979      1.20394  1.06114  0.401153  1.96904  0.305718  
1 1 1 28 6  27 o 8.33271  0.0914809 69.534       1.52457  69.2135      2.17128  69.8457      2.14117  8.30719  0.130687  8.34549  0.128283  
1 1 1 28 6  28 o 1.22219  0.330533  1.57805      0.827395 2.34614      1.19681  0.874871     1.14512  1.48245  0.396013  1.05808  0.398219  
1 1 1 28 6  29 o 3.93034  0.116386  15.4964      0.914873 15.7143      1.26265  15.2555      1.32743  3.95241  0.159732  3.89268  0.170503  
1 1 1 28 6  30 o 1.05394  0.344202  1.11496      0.833575 0.916854     1.13441  1.34747      1.22897  1.05947  0.396821  1.18958  0.416943  
1 1 1 28 6  31 o 2.86484  0.153925  8.27052      0.881944 7.0557       1.23634  9.52921      1.25847  2.63243  0.234829  3.06572  0.205248  
1 1 1 28 6  32 o 2.67395  0.18692   7.23934      0.999626 7.28376      1.37048  7.18884      1.46125  2.66723  0.256911  2.64499  0.27623   
1 1 1 28 6  33 o 2.80979  0.167679  7.98402      0.942289 7.76361      1.27489  8.24939      1.39893  2.75664  0.231239  2.83748  0.246509  
1 1 1 28 6  34 o 1.98873  0.222318  4.05394      0.884262 3.68468      1.22367  4.45752      1.27926  1.83958  0.34532   2.06175  0.310237  
1 1 1 28 6  35 o 1.73073  0.26004   3.11417      0.900119 2.7492       1.26693  3.48617      1.27908  1.55638  0.403675  1.76781  0.373342  
1 1 1 28 6  36 o 3.26211  0.155684  10.8148      1.01572  11.0936      1.42631  10.528       1.4468   3.27891  0.217497  3.18993  0.226776  
1 1 1 28 6  37 o 1.4374   0.342643  2.3302       0.972486 1.79105      1.34852  2.91441      1.40374  1.26726  0.437457  1.56959  0.433237  
1 1 1 28 6  38 o 3.36788  0.162578  11.6071      1.09508  10.9834      1.51547  12.2887      1.58418  3.23664  0.234112  3.42551  0.231233  
1 1 1 28 6  39 o 0.8293   0.349894  0.330393     0.994842 0.00915297   1.42483  0.635968     1.38966  0.890528 0.396028  0.982813 0.414045  
1 1 1 28 6  40 o 1.09118  0.369236  1.41085      0.959233 1.72964      1.31733  1.05105      1.39952  1.18515  0.43002   1.04323  0.425052  
1 1 1 28 6  41 f 0.617166 0.294877  -0.924602    1.01562  -2.13217     1.3683   0.556917     1.51558  0.625449 0.308046  0.940427 0.4145    
1 1 1 28 6  42 o 0.933686 0.374491  1.012        1.06426  2.31229      1.52253  -0.230388    1.48824  1.21603  0.45881   0.807029 0.376449  
1 1 1 28 6  43 o 0.807404 0.358424  0.482103     1.16094  0.996349     1.67064  0.00186386   1.61445  0.933142 0.421349  0.815938 0.38337   
1 1 1 28 6  44 f 1.07016  0.408318  2.18459      1.2171   2.67814      1.70695  1.67417      1.73588  1.06156  0.453492  0.92504  0.421654  
1 1 1 28 6  45 o 0.813773 0.364299  1.15848      1.22361  1.88354      1.70007  0.379167     1.76252  0.879208 0.407108  0.748149 0.364577  
1 1 1 28 7  0  o 3.23404  0.090046  10.484       0.581403 10.484       0.581403 10.484       0.581403 3.23597  0.0635778 ?        ?         
1 1 1 28 7  1  f 25.8099  0.185687  666.55       9.58513  665.227      13.3692  667.948      13.7496  25.7768  0.259327  25.8286  0.266171  
1 1 1 28 7  2  o 7.54293  0.0612815 56.8994      0.924484 56.9399      1.2964   56.8575      1.31872  7.54537  0.0859069 7.53989  0.0874497 
1 1 1 28 7  3  o 13.2017  0.0928849 174.311      2.45249  179.068      3.55071  169.971      3.39144  13.3797  0.132691  13.0354  0.130086  
1 1 1 28 7  4  o 25.3331  0.17615   642.081      8.92482  644.955      12.3908  638.983      12.8657  25.3837  0.244071  25.2648  0.254618  
1 1 1 28 7  5  o 8.40289  0.0676378 70.6136      1.13671  70.7356      1.59587  70.4879      1.61948  8.40986  0.0948811 8.3951   0.0964538 
1 1 1 28 7  6  o 23.4494  0.163476  550.091      7.66682  545.712      10.7646  554.6        10.9222  23.3513  0.230492  23.5405  0.231987  
1 1 1 28 7  7  o 6.74478  0.0649758 45.4948      0.876494 46.5766      1.28925  44.5652      1.19519  6.82425  0.0944607 6.67531  0.0895231 
1 1 1 28 7  8  o 18.5886  0.132854  345.626      4.93914  344.294      6.88437  347.039      7.09016  18.5503  0.185559  18.6239  0.190351  
1 1 1 28 7  9  o 25.1849  0.174011  634.565      8.76489  624.343      12.0822  645.921      12.7343  24.9757  0.241879  25.4028  0.250648  
1 1 1 28 7  10 o 17.15    0.12133   294.186      4.16162  289.735      5.74797  299.09       6.03323  17.0179  0.16888   17.2902  0.17447   
1 1 1 28 7  11 o 17.3651  0.118882  301.616      4.12877  298.074      5.78934  305.282      5.88988  17.2607  0.167703  17.4681  0.168589  
1 1 1 28 7  12 o 21.0437  0.143893  443.009      6.05611  440.99       8.62886  444.969      8.50182  20.9915  0.205532  21.0863  0.201596  
1 1 1 28 7  13 o 3.79508  0.0805467 14.4045      0.611362 14.3725      0.853604 14.4383      0.876026 3.79062  0.112594  3.79925  0.115289  
1 1 1 28 7  14 o 13.7148  0.102841  188.138      2.82088  187.142      3.97362  189.15       4.00524  13.6769  0.145267  13.7501  0.145644  
1 1 1 28 7  15 o 4.33508  0.0845026 18.796       0.732651 18.8787      1.01469  18.7058      1.05898  4.34429  0.116784  4.32428  0.122446  
1 1 1 28 7  16 o 6.54535  0.0836502 42.8492      1.09504  43.1761      1.54735  42.5212      1.54989  6.56969  0.117764  6.51966  0.118863  
1 1 1 28 7  17 o 4.57651  0.0863912 20.9489      0.790741 20.5472      1.09724  21.3829      1.14057  4.53196  0.121056  4.62317  0.123354  
1 1 1 28 7  18 o 13.8753  0.119281  192.612      3.31011  190.577      4.57141  194.854      4.79932  13.7989  0.165644  13.9524  0.171989  
1 1 1 28 7  19 o 9.27452  0.0894918 86.0445      1.65999  87.2162      2.30612  84.7847      2.39135  9.33606  0.123506  9.2047   0.129898  
1 1 1 28 7  20 o 5.73408  0.0906163 32.893       1.0392   33.4739      1.4585   32.2939      1.48107  5.7834   0.126093  5.6804   0.130367  
1 1 1 28 7  21 o 4.69427  0.09723   22.0483      0.912849 21.4008      1.29172  22.6943      1.29021  4.62348  0.139691  4.76131  0.135489  
1 1 1 28 7  22 o 4.94237  0.0932786 24.4417      0.922035 26.1573      1.3322   22.8643      1.27744  5.11138  0.130317  4.77868  0.13366   
1 1 1 28 7  23 o 2.7649   0.14087   7.65782      0.778981 7.60646      1.09689  7.71007      1.10646  2.75323  0.199202  2.7719   0.199585  
1 1 1 28 7  24 o 5.41975  0.0943858 29.4019      1.02309  30.3614      1.4622   28.4817      1.43202  5.50489  0.132809  5.33165  0.134294  
1 1 1 28 7  25 o 4.92631  0.0961077 24.2971      0.946913 24.2207      1.29961  24.3837      1.38251  4.91596  0.132182  4.9318   0.140163  
1 1 1 28 7  26 o 8.5834   0.0918614 73.7675      1.57697  74.5733      2.24871  72.9878      2.21208  8.62453  0.130367  8.53248  0.129627  
1 1 1 28 7  27 o 4.57782  0.104156  20.9971      0.953616 20.6712      1.3275   21.3447      1.37077  4.53783  0.146271  4.61087  0.148646  
1 1 1 28 7  28 o 6.6515   0.0937236 44.3227      1.24681  44.6392      1.77832  44.0167      1.74855  6.66911  0.133325  6.62268  0.132013  
1 1 1 28 7  29 o 1.81149  0.219179  3.31983      0.794078 2.43544      1.10768  4.25489      1.13897  1.50646  0.369866  2.04355  0.278674  
1 1 1 28 7  30 o 0.763209 0.322225  0.0857839    0.844658 0.204022     1.12885  -0.0646218   1.27318  0.89549  0.37502   0.895783 0.387354  
1 1 1 28 7  31 o 5.07976  0.105888  25.9018      1.07578  25.6735      1.51665  26.1331      1.52615  5.04746  0.150239  5.09254  0.149841  
1 1 1 28 7  32 o 2.37313  0.201814  5.71532      0.957859 5.06003      1.32342  6.43626      1.38813  2.21338  0.298959  2.50183  0.277423  
1 1 1 28 7  33 o 3.38826  0.142025  11.5757      0.962433 11.4687      1.30997  11.7011      1.41869  3.36009  0.194931  3.38994  0.209251  
1 1 1 28 7  34 o 1.27425  0.337045  1.78         0.872317 2.28679      1.2192   1.24847      1.24861  1.42997  0.406832  1.1452   0.418346  
1 1 1 28 7  35 o 0.737452 0.320487  -0.045537    0.879816 -0.584194    1.23011  0.518616     1.25888  0.782073 0.356074  0.976332 0.401345  
1 1 1 28 7  36 o 0.90816  0.358204  0.612228     0.956964 -1.01183     1.31278  2.4538       1.39793  0.751591 0.351738  1.45146  0.441937  
1 1 1 28 7  37 f 2.94096  0.1789    8.86177      1.05228  10.1563      1.49328  7.5849       1.48306  3.11894  0.23939   2.67623  0.277081  
1 1 1 28 7  38 o 1.78545  0.290911  3.4326       1.03881  4.73953      1.50157  2.23289      1.43866  2.02257  0.385065  1.36473  0.452189  
1 1 1 28 7  39 o 1.02951  0.373981  1.15483      0.996611 -0.227073    1.41538  2.51371      1.40354  0.853013 0.386354  1.40251  0.445763  
1 1 1 28 7  40 o 2.32008  0.216407  5.738        1.00416  5.73845      1.39775  5.73753      1.44356  2.2472   0.310998  2.23677  0.322689  
1 1 1 28 7  41 o 1.45453  0.363352  2.70863      1.05505  1.95507      1.40499  3.683        1.59764  1.18573  0.442111  1.57844  0.470828  
1 1 1 28 7  42 o 0.954144 0.383593  1.12109      1.12033  1.3495       1.56045  0.878097     1.60946  1.02016  0.43463   0.953631 0.422844  
1 1 1 28 7  43 o 0.682412 0.320772  -0.359105    1.13268  -0.515762    1.64812  -0.218883    1.55927  0.771108 0.370152  0.783131 0.370914  
1 1 1 28 7  44 o 0.66405  0.318037  -0.282761    1.19945  0.918835     1.66952  -1.56459     1.72436  0.833211 0.391134  0.659457 0.328397  
1 1 1 28 7  45 o 0.683302 0.326017  0.297098     1.23034  -1.00204     1.67738  1.80999      1.81012  0.635195 0.317371  0.826994 0.394781  
1 1 1 28 8  0  o 3.50684  0.0873701 12.3216      0.611926 12.3216      0.611926 12.3216      0.611926 3.50853  0.0617067 ?        ?         
1 1 1 28 8  1  o 4.25266  0.0577838 18.0861      0.49147  17.5582      0.672595 18.6909      0.719901 4.19003  0.0802612 4.32305  0.0832631 
1 1 1 28 8  2  o 16.9552  0.11821   287.542      4.00855  286.679      5.58892  288.455      5.75252  16.9279  0.16508   16.98    0.169391  
1 1 1 28 8  3  o 6.29476  0.0637319 39.6266      0.802354 39.3966      1.1155   39.8731      1.15493  6.27628  0.0888665 6.3141   0.0914561 
1 1 1 28 8  4  o 17.9406  0.13081   321.946      4.69361  320.734      6.69254  323.119      6.58432  17.9043  0.186898  17.9709  0.183194  
1 1 1 28 8  5  o 6.99194  0.06167   48.8899      0.862386 47.6098      1.1821   50.3465      1.26091  6.89961  0.0856644 7.09511  0.0888574 
1 1 1 28 8  6  o 32.3761  0.224575  1048.99      14.5417  1046.9       20.545   1051.08      20.5851  32.3313  0.317726  32.3959  0.317712  
1 1 1 28 8  7  o 23.6271  0.165117  558.464      7.80244  550.953      10.8979  566.363      11.1761  23.4628  0.232237  23.7885  0.234905  
1 1 1 28 8  8  o 11.3984  0.0867579 129.938      1.9778   129.687      2.76449  130.201      2.83076  11.3867  0.121391  11.4092  0.124056  
1 1 1 28 8  9  o 10.2459  0.0769493 104.987      1.57682  103.973      2.24698  105.971      2.21333  10.1958  0.110192  10.2933  0.107513  
1 1 1 28 8  10 o 12.1439  0.0900011 147.493      2.18593  145.836      3.0988   149.134      3.08398  12.0746  0.128319  12.2104  0.126284  
1 1 1 28 8  11 o 14.5497  0.104973  211.734      3.05463  212.864      4.30384  210.587      4.33615  14.587   0.147523  14.5087  0.149433  
1 1 1 28 8  12 o 12.1795  0.0948656 148.367      2.31084  149.824      3.31145  146.985      3.22625  12.238   0.135294  12.1216  0.133078  
1 1 1 28 8  13 o 20.1054  0.138095  404.389      5.55294  405.019      7.78637  403.738      7.92145  20.1172  0.193525  20.0851  0.197198  
1 1 1 28 8  14 o 10.1081  0.0843387 102.189      1.70501  102.59       2.39072  101.775      2.43231  10.1271  0.118035  10.0868  0.120569  
1 1 1 28 8  15 o 13.2533  0.100798  175.692      2.6718   174.986      3.76078  176.411      3.79647  13.225   0.142184  13.2787  0.142953  
1 1 1 28 8  16 o 18.4686  0.13665   341.257      5.04746  343.978      7.36296  338.844      6.93281  18.5369  0.198603  18.399   0.188402  
1 1 1 28 8  17 o 12.2972  0.106576  151.272      2.62116  155.904      3.65069  146.343      3.76576  12.4822  0.146236  12.0929  0.155702  
1 1 1 28 8  18 f 4.93516  0.0928693 24.3631      0.916651 22.8884      1.24688  26.0976      1.35219  4.78276  0.130352  5.10701  0.132386  
1 1 1 28 8  19 o 5.61672  0.0899268 31.5588      1.01019  29.8958      1.40885  33.3186      1.44925  5.46568  0.128882  5.7702   0.12558   
1 1 1 28 8  20 o 1.98025  0.197585  3.92936      0.782537 4.76788      1.11626  3.11904      1.09733  2.17985  0.256041  1.73309  0.328499  
1 1 1 28 8  21 o 4.35945  0.0988433 19.0161      0.861804 20.1717      1.22647  17.8891      1.21123  4.48871  0.136617  4.22688  0.143277  
1 1 1 28 8  22 o 2.48035  0.154383  6.16289      0.765848 5.77527      1.06806  6.5731       1.09874  2.39876  0.222627  2.55943  0.214645  
1 1 1 28 8  23 o 5.10708  0.0959982 26.1049      0.980541 28.5344      1.42812  23.9382      1.34868  5.33728  0.133787  4.8883   0.137949  
1 1 1 28 8  24 o 3.98118  0.10692   15.87        0.851335 15.1343      1.19725  16.6225      1.2108   3.88512  0.154081  4.07203  0.148673  
1 1 1 28 8  25 o 4.90327  0.0997448 24.0744      0.978152 24.9138      1.31606  23.0384      1.46206  4.98551  0.131988  4.79231  0.152542  
1 1 1 28 8  26 o 6.26793  0.0916417 39.3384      1.14881  38.4672      1.61034  40.2412      1.63937  6.19396  0.129993  6.33525  0.129384  
1 1 1 28 8  27 o 9.35455  0.0919177 87.6456      1.7197   88.1341      2.44775  87.1695      2.41659  9.37305  0.130574  9.32183  0.12962   
1 1 1 28 8  28 o 2.3712   0.170073  5.65705      0.806555 6.18118      1.15404  5.15657      1.1277   2.47209  0.233414  2.25605  0.249927  
1 1 1 28 8  29 o 2.421    0.174691  5.90689      0.845854 7.09303      1.22193  4.81559      1.17206  2.6454   0.230954  2.17446  0.269507  
1 1 1 28 8  30 f 4.51048  0.11413   20.4238      1.02957  20.5847      1.42458  20.2479      1.48965  4.52033  0.157575  4.48134  0.166205  
1 1 1 28 8  31 o 2.97677  0.162229  8.94351      0.965838 9.38806      1.36525  8.49811      1.36655  3.03685  0.224782  2.88655  0.23671   
1 1 1 28 8  32 o 0.965885 0.352643  0.820614     0.887099 1.80345      1.23883  -0.21373     1.27088  1.30534  0.419188  0.864646 0.380408  
1 1 1 28 8  33 o 3.89372  0.127793  15.2712      0.995183 14.8233      1.35176  15.8013      1.47053  3.82353  0.176769  3.94462  0.186397  
1 1 1 28 8  34 o 3.31002  0.143759  11.0779      0.951692 11.6604      1.32802  10.4629      1.36452  3.37976  0.196466  3.19564  0.213497  
1 1 1 28 8  35 o 3.85649  0.131839  15.0304      1.01687  14.648       1.41807  15.4352      1.45895  3.78666  0.187246  3.88688  0.187677  
1 1 1 28 8  36 o 2.63079  0.190728  7.10504      1.00353  8.49127      1.399    5.63572      1.44032  2.85218  0.245251  2.29304  0.314063  
1 1 1 28 8  37 o 1.0449   0.372754  1.11493      0.986138 0.566278     1.3607   1.72188      1.43118  0.995727 0.414022  1.2537   0.448875  
1 1 1 28 8  38 o 1.11816  0.378857  1.39897      1.00988  1.4488       1.46019  1.35327      1.39819  1.17371  0.447411  1.1455   0.437474  
1 1 1 28 8  39 o 1.66343  0.313695  3.16788      1.00544  2.71028      1.42689  3.61915      1.41698  1.44853  0.4476    1.70024  0.418878  
1 1 1 28 8  40 o 2.47269  0.208889  6.50812      1.03304  6.67177      1.4511   6.33996      1.47097  2.42857  0.298755  2.35474  0.312343  
1 1 1 28 8  41 o 0.891917 0.364491  0.763448     1.03222  0.73194      1.3854   0.802765     1.54758  0.940799 0.405406  0.974293 0.424258  
1 1 1 28 8  42 o 0.758049 0.343866  0.0889807    1.1254   0.928347     1.62252  -0.689252    1.56231  0.951604 0.42292   0.763132 0.364884  
1 1 1 28 8  43 o 0.872712 0.372424  0.908762     1.14907  -0.459203    1.67237  2.13212      1.58151  0.775446 0.372387  1.09111  0.449407  
1 1 1 28 8  44 f 1.06827  0.406245  2.2568       1.20148  2.9229       1.67762  1.55537      1.72152  1.07455  0.453916  0.888793 0.410827  
1 1 1 28 8  45 o 0.466689 0.237691  -2.71993     1.18075  -1.92643     1.62687  -3.60316     1.7164   0.579857 0.292911  ?        ?         
1 1 1 28 9  0  o 2.0454   0.119956  4.22714      0.486853 4.22714      0.486853 4.22714      0.486853 2.05077  0.084257  ?        ?         
1 1 1 28 9  1  o 15.8077  0.108354  249.928      3.42566  252.077      4.93662  247.932      4.75756  15.874   0.155494  15.7431  0.1511    
1 1 1 28 9  2  o 13.1925  0.0951381 174.067      2.51023  171.83       3.42445  176.664      3.69045  13.1067  0.130637  13.2896  0.138848  
1 1 1 28 9  3  o 14.7197  0.105212  216.705      3.09737  217.914      4.40165  215.519      4.35935  14.7595  0.149113  14.6782  0.148498  
1 1 1 28 9  4  o 15.2942  0.107742  233.951      3.29566  232.952      4.6957   234.921      4.6266   15.2601  0.153856  15.3245  0.150954  
1 1 1 28 9  5  o 17.3149  0.123718  299.874      4.28434  300.158      6.13559  299.604      5.98515  17.321   0.177115  17.3052  0.172929  
1 1 1 28 9  6  f 12.2283  0.0908664 149.549      2.22228  149.164      3.16996  149.92       3.11628  12.2117  0.129792  12.2427  0.127271  
1 1 1 28 9  7  f 17.6239  0.124804  310.675      4.39906  305.853      6.13592  315.776      6.31017  17.4845  0.175467  17.7658  0.177593  
1 1 1 28 9  8  o 2.10115  0.0937342 4.41541      0.393899 4.62311      0.569917 4.22546      0.545031 2.14985  0.132548  2.05532  0.132591  
1 1 1 28 9  9  o 17.3675  0.118485  301.695      4.11556  298.615      5.77527  304.874      5.86637  17.2766  0.167141  17.4567  0.168026  
1 1 1 28 9  10 o 24.8731  0.168377  618.968      8.37611  616.953      11.9495  620.915      11.7443  24.8261  0.240665  24.9062  0.235772  
1 1 1 28 9  11 o 21.8292  0.150719  476.718      6.58013  475.67       9.29629  477.77       9.31517  21.8004  0.213213  21.8485  0.213176  
1 1 1 28 9  12 o 18.2618  0.12747   333.603      4.65565  331.722      6.41477  335.696      6.76756  18.2074  0.176158  18.3156  0.184749  
1 1 1 28 9  13 o 2.10078  0.129043  4.41485      0.54218  3.67905      0.768238 5.145        0.765288 1.91726  0.200348  2.26757  0.168746  
1 1 1 28 9  14 o 4.62647  0.0799275 21.4073      0.739565 21.8325      1.04787  20.9854      1.04395  4.67186  0.112147  4.58031  0.113961  
1 1 1 28 9  15 o 10.9584  0.0941415 120.114      2.06329  124.736      3.08825  116.386      2.77299  11.1659  0.13829   10.786   0.128546  
1 1 1 28 9  16 o 15.9176  0.123739  253.478      3.93925  255.064      5.74481  252.07       5.41195  15.9635  0.179936  15.8703  0.170506  
1 1 1 28 9  17 o 6.56989  0.0870391 43.1736      1.14367  43.495       1.61153  42.8476      1.62333  6.59353  0.122206  6.54423  0.124028  
1 1 1 28 9  18 o 8.23641  0.088432  67.8585      1.45673  66.4606      2.00892  69.4087      2.11545  8.14998  0.123247  8.32863  0.126999  
1 1 1 28 9  19 o 1.34583  0.29363   1.89022      0.768475 1.56677      1.08794  2.2123       1.08564  1.25244  0.391614  1.45482  0.371709  
1 1 1 28 9  20 o 8.16806  0.0841603 66.7433      1.37485  67.072       1.93152  66.4057      1.9574   8.18662  0.117968  8.14575  0.120149  
1 1 1 28 9  21 o 3.40609  0.116355  11.6116      0.792628 13.1788      1.12606  10.0726      1.11589  3.6274   0.155216  3.17052  0.17598   
1 1 1 28 9  22 o 8.18775  0.0839729 67.0763      1.3751   66.5647      1.94406  67.5885      1.94531  8.15413  0.119207  8.21666  0.118376  
1 1 1 28 9  23 o 2.95274  0.132612  8.73443      0.783138 8.88752      1.08355  8.567        1.13316  2.97618  0.182037  2.92136  0.193944  
1 1 1 28 9  24 o 3.21361  0.126093  10.3465      0.810431 10.9024      1.12896  9.75538      1.1641   3.29622  0.17125   3.117    0.186734  
1 1 1 28 9  25 o 0.634081 0.287742  -0.451843    0.788823 -1.24181     1.0806   0.449336     1.15416  0.657532 0.310309  0.96548  0.388848  
1 1 1 28 9  26 f 0.760463 0.309949  0.22702      0.744429 1.24464      1.05645  -0.776594    1.04915  1.14126  0.387495  0.703136 0.323323  
1 1 1 28 9  27 o 6.39795  0.0908404 40.9996      1.16239  40.8506      1.63213  41.153       1.65584  6.38131  0.127884  6.40465  0.129269  
1 1 1 28 9  28 o 3.17819  0.131058  10.1392      0.833054 10.1987      1.18519  10.0811      1.17117  3.18145  0.186265  3.1632   0.185125  
1 1 1 28 9  29 o 0.681337 0.301322  -0.235084    0.810168 0.558767     1.16572  -0.976775    1.12677  0.983994 0.393056  0.704951 0.328339  
1 1 1 28 9  30 o 4.80761  0.104597  23.1912      1.00572  23.5033      1.39581  22.8542      1.45036  4.83242  0.144422  4.76352  0.152236  
1 1 1 28 9  31 o 4.27931  0.128434  18.4214      1.09922  20.0584      1.59598  16.9441      1.51615  4.4528   0.179211  4.09092  0.185307  
1 1 1 28 9  32 o 1.28763  0.340016  1.7957       0.888699 3.13897      1.20035  0.166217     1.32206  1.69815  0.363954  0.944101 0.401075  
1 1 1 28 9  33 o 0.830645 0.336171  0.367623     0.868539 0.212445     1.1879   0.545864     1.27312  0.90405  0.38193   0.994675 0.405359  
1 1 1 28 9  34 o 2.17325  0.208435  4.83837      0.905963 4.06747      1.25866  5.66714      1.30505  1.96057  0.320993  2.32953  0.280111  
1 1 1 28 9  35 o 4.25908  0.12417   18.3147      1.0577   20.3611      1.49389  16.2578      1.49775  4.47303  0.166988  3.98785  0.187789  
1 1 1 28 9  36 o 1.33094  0.353038  2.00502      0.955368 1.79993      1.30673  2.24053      1.40031  1.2691   0.430957  1.38824  0.445658  
1 1 1 28 9  37 o 0.754685 0.333072  -0.114804    0.982996 -1.45334     1.34891  1.40099      1.43545  0.711591 0.339955  1.17543  0.444906  
1 1 1 28 9  38 o 1.91315  0.263131  3.91951      1.00682  3.44686      1.42694  4.38808      1.42079  1.67883  0.424495  1.9351   0.380672  
1 1 1 28 9  39 o 1.48257  0.341574  2.59274      0.992648 1.89407      1.41509  3.26958      1.39281  1.23898  0.446071  1.60468  0.426551  
1 1 1 28 9  40 o 1.42086  0.360145  2.50211      1.02523  1.13841      1.42051  3.98477      1.48117  1.04543  0.427465  1.73774  0.428351  
1 1 1 28 9  41 o 0.851651 0.357217  0.591225     1.02688  1.12576      1.40766  -0.0168114   1.50132  1.00916  0.42045   0.852656 0.389848  
1 1 1 28 9  42 o 1.06584  0.399195  1.66709      1.148    0.697996     1.6564   2.56288      1.59251  0.915409 0.415819  1.21481  0.466031  
1 1 1 28 9  43 o 1.03268  0.396637  1.72232      1.1547   1.87213      1.7006   1.59418      1.57285  1.02198  0.444876  0.985261 0.428349  
1 1 1 28 9  44 o 0.699256 0.329373  0.0642911    1.20635  -0.456098    1.68944  0.605634     1.72312  0.71825  0.351393  0.802836 0.383708  
1 1 1 28 10 0  o 15.3553  0.147591  235.889      4.53167  235.889      4.53167  235.889      4.53167  15.357   0.10434   ?        ?         
1 1 1 28 10 1  o 17.542   0.11967   307.786      4.19851  305.64       5.83871  310.084      6.04167  17.4789  0.167021  17.6053  0.171586  
1 1 1 28 10 2  o 10.6279  0.0773948 112.963      1.64509  114.171      2.34655  111.794      2.30698  10.6841  0.109815  10.5723  0.109104  
1 1 1 28 10 3  o 7.87892  0.0631674 62.081       0.995382 61.5452      1.40187  62.6258      1.41356  7.8446   0.0893527 7.91317  0.0893172 
1 1 1 28 10 4  o 30.4952  0.206848  930.542      12.6158  936.238      18.3444  925.43       17.3776  30.5773  0.299968  30.4022  0.285795  
1 1 1 28 10 5  o 9.52197  0.0727141 90.6749      1.38476  90.4182      1.97954  90.921       1.93783  9.50807  0.104098  9.5345   0.101622  
1 1 1 28 10 6  f 6.43897  0.0582692 41.4625      0.750388 41.4921      1.06524  41.4333      1.05723  6.4411   0.0826905 6.43654  0.082127  
1 1 1 28 10 7  o 16.1371  0.113869  260.458      3.67505  257.985      5.21945  262.888      5.17545  16.0587  0.162512  16.2107  0.159631  
1 1 1 28 10 8  o 20.7919  0.144362  432.444      6.00312  429.921      8.53688  434.911      8.44329  20.7276  0.20593   20.8478  0.202499  
1 1 1 28 10 9  f 17.8893  0.123021  320.109      4.40152  318.04       6.26335  322.128      6.18673  17.829   0.17565   17.9434  0.172396  
1 1 1 28 10 10 o 4.12401  0.0747124 17.0092      0.616229 16.2469      0.875403 17.758       0.867608 4.0303   0.108603  4.21361  0.102953  
1 1 1 28 10 11 o 7.23722  0.0663712 52.382       0.960687 53.1334      1.35922  51.6319      1.35801  7.28863  0.0932424 7.18489  0.094505  
1 1 1 28 10 12 o 17.4581  0.121145  304.879      4.22993  306.611      6.08442  303.258      5.88463  17.5048  0.173793  17.4091  0.16901   
1 1 1 28 10 13 o 4.51486  0.0761433 20.3865      0.687553 20.1393      0.982059 20.6242      0.962917 4.4871   0.109431  4.54083  0.106029  
1 1 1 28 10 14 o 9.50037  0.085278  90.2726      1.62035  90.0189      2.16237  90.5974      2.44695  9.48637  0.113973  9.5164   0.128565  
1 1 1 28 10 15 o 9.20051  0.0845398 84.6653      1.55562  84.1278      2.16211  85.2421      2.2399   9.17044  0.117885  9.23088  0.121327  
1 1 1 28 10 16 o 11.3541  0.0944839 128.948      2.14555  127.924      3.0988   129.892      2.97361  11.3072  0.137027  11.3942  0.130489  
1 1 1 28 10 17 o 8.126    0.104565  66.056       1.69939  66.7241      2.47852  65.4632      2.33453  8.16533  0.151771  8.08811  0.144319  
1 1 1 28 10 18 o 6.22061  0.0877777 38.7084      1.09206  38.9324      1.47099  38.4334      1.63005  6.23776  0.11791   6.19721  0.131515  
1 1 1 28 10 19 f 12.6142  0.105571  159.205      2.66339  159.856      3.66857  158.481      3.87294  12.6368  0.145154  12.5815  0.153914  
1 1 1 28 10 20 o 4.60763  0.0983318 21.2422      0.906154 20.3084      1.24906  22.2798      1.3166   4.50396  0.138663  4.71747  0.139545  
1 1 1 28 10 21 o 7.74711  0.0823397 60.0456      1.27579  60.4334      1.78502  59.6407      1.82409  7.77032  0.114861  7.71899  0.118156  
1 1 1 28 10 22 o 5.85412  0.0872459 34.2929      1.0215   35.0289      1.39918  33.453       1.49478  5.91498  0.118274  5.77972  0.129313  
1 1 1 28 10 23 o 5.09713  0.0892705 26.0028      0.910047 26.1019      1.25341  25.8924      1.32344  5.10493  0.122765  5.08389  0.13016   
1 1 1 28 10 24 o 0.802363 0.313419  0.396712     0.727509 -0.397101    0.988948 1.33297      1.07402  0.737415 0.328879  1.17358  0.390703  
1 1 1 28 10 25 o 3.25407  0.129425  10.6148      0.842314 11.1536      1.20047  10.0923      1.18216  3.33178  0.180155  3.16876  0.186534  
1 1 1 28 10 26 o 3.26295  0.124049  10.6751      0.809532 10.9369      1.14854  10.4167      1.1412   3.29842  0.174105  3.2187   0.177276  
1 1 1 28 10 27 o 5.9806   0.0926109 35.8293      1.10774  36.2704      1.54832  35.3667      1.5855   6.01251  0.128758  5.93639  0.13354   
1 1 1 28 10 28 o 4.99489  0.0980724 25.0044      0.979722 23.7526      1.3849   26.2584      1.38617  4.86231  0.142412  5.11348  0.135541  
1 1 1 28 10 29 o 2.32548  0.181269  5.45763      0.843076 5.18329      1.19739  5.72734      1.18726  2.25472  0.265529  2.37266  0.250195  
1 1 1 28 10 30 o 2.44018  0.171454  6.0104       0.836761 6.25825      1.17236  5.75303      1.19468  2.47935  0.236424  2.37438  0.251577  
1 1 1 28 10 31 o 3.4072   0.155389  11.7096      1.05889  12.6302      1.47192  10.7221      1.52444  3.52622  0.208711  3.2422   0.235093  
1 1 1 28 10 32 o 0.977929 0.349124  0.882127     0.865215 -0.109716    1.18201  2.02699      1.26992  0.849102 0.370252  1.36818  0.42216   
1 1 1 28 10 33 o 3.37687  0.143144  11.5202      0.966759 10.5885      1.32581  12.578       1.41274  3.22019  0.205859  3.51135  0.201167  
1 1 1 28 10 34 o 3.31478  0.145046  11.1208      0.961589 11.9471      1.35357  10.2788      1.3663   3.41799  0.198007  3.16375  0.215931  
1 1 1 28 10 35 o 1.18892  0.352164  1.56074      0.895927 1.40231      1.26228  1.72158      1.27183  1.17244  0.42138   1.25632  0.425164  
1 1 1 28 10 36 o 1.06894  0.360947  1.21697      0.916651 1.79843      1.27697  0.598819     1.31662  1.26603  0.426021  0.994262 0.409872  
1 1 1 28 10 37 o 2.27362  0.227513  5.40324      1.03456  5.83077      1.4402   4.94743      1.48709  2.31928  0.310486  2.11325  0.35185   
1 1 1 28 10 38 o 1.02111  0.366881  1.11377      0.956821 1.9098       1.34294  0.293057     1.36359  1.26123  0.436438  0.925076 0.400458  
1 1 1 28 10 39 o 1.02522  0.36741   1.17237      0.959034 0.371855     1.32997  2.03951      1.38422  0.915077 0.395801  1.27006  0.442747  
1 1 1 28 10 40 o 0.647505 0.303949  -0.68646     1.00794  -0.947041    1.39508  -0.401892    1.45788  0.73931  0.350482  0.814989 0.377228  
1 1 1 28 10 41 o 1.14697  0.377081  1.73928      1.00043  3.03806      1.40601  0.407421     1.42381  1.44363  0.443954  0.890614 0.395981  
1 1 1 28 10 42 o 2.39453  0.256512  6.72722      1.22845  7.39764      1.7797   6.1171       1.69778  2.27276  0.406179  2.01763  0.433212  
1 1 1 28 10 43 o 0.63189  0.303549  -0.59327     1.11353  0.0130196    1.6166   -1.14063     1.53603  0.779564 0.372364  0.676377 0.332045  
1 1 1 28 10 44 o 0.821106 0.363851  0.95634      1.18917  0.144221     1.65273  1.82809      1.71233  0.762406 0.367113  0.931529 0.423046  
1 1 1 28 11 0  o 7.75692  0.0951626 60.201       1.47584  60.201       1.47584  60.201       1.47584  7.75793  0.06727   ?        ?         
1 1 1 28 11 1  o 7.77323  0.0631961 60.4267      0.982476 59.8237      1.39789  61.0153      1.38112  7.7341   0.0903722 7.81077  0.0884112 
1 1 1 28 11 2  o 17.8943  0.121899  320.277      4.36259  320.236      6.23829  320.317      6.10319  17.891   0.174341  17.8935  0.170542  
1 1 1 28 11 3  o 12.4876  0.0871138 155.958      2.17568  156.329      3.08413  155.59       3.06969  12.5017  0.123348  12.4721  0.123062  
1 1 1 28 11 4  o 6.95151  0.0590882 48.326       0.821504 48.7962      1.19354  47.9026      1.13243  6.98504  0.0854357 6.92082  0.0818132 
1 1 1 28 11 5  o 20.8658  0.144755  435.519      6.04086  438.643      8.70411  432.616      8.39065  20.9369  0.207865  20.793   0.201767  
1 1 1 28 11 6  o 12.5837  0.0913789 158.37       2.29977  160.461      3.33596  156.476      3.17476  12.6656  0.131694  12.5075  0.126914  
1 1 1 28 11 7  o 5.42757  0.0587352 29.4601      0.637578 29.2242      0.923416 29.675       0.881395 5.40563  0.0854125 5.4472   0.0809036 
1 1 1 28 11 8  o 13.8232  0.106022  191.117      2.93112  193.994      4.43244  188.88       3.90747  13.9252  0.159152  13.741   0.142182  
1 1 1 28 11 9  o 8.01243  0.0709003 64.2049      1.13617  64.9119      1.69901  63.6329      1.52811  8.05598  0.10545   7.97636  0.0957898 
1 1 1 28 11 10 o 21.9492  0.149421  481.978      6.55935  482.943      9.20453  480.983      9.34981  21.9664  0.209514  21.9215  0.213257  
1 1 1 28 11 11 o 11.071   0.0834657 122.585      1.8481   125.423      2.63402  119.833      2.59366  11.1976  0.117615  10.9452  0.118483  
1 1 1 28 11 12 o 15.0813  0.106797  227.501      3.22127  226.845      4.50022  228.19       4.61299  15.0577  0.149432  15.1022  0.152726  
1 1 1 28 11 13 o 8.55663  0.0786511 73.2261      1.34598  75.1943      1.87612  71.1386      1.93211  8.67031  0.108192  8.43311  0.114555  
1 1 1 28 11 14 o 18.3063  0.128674  335.257      4.71107  337.186      6.69546  333.365      6.62995  18.355   0.182388  18.2507  0.181635  
1 1 1 28 11 15 o 5.78252  0.0818187 33.4437      0.946236 35.2247      1.3644   31.7933      1.31342  5.93395  0.114965  5.63749  0.11649   
1 1 1 28 11 16 o 6.85939  0.0819368 47.061       1.12407  47.1849      1.61385  46.9443      1.56656  6.86766  0.117497  6.85021  0.114344  
1 1 1 28 11 17 o 10.1042  0.0947114 102.129      1.91397  102.313      2.6973   101.943      2.71633  10.1117  0.133376  10.0933  0.134561  
1 1 1 28 11 18 o 16.6147  0.130829  276.263      4.34738  276.72       5.79421  275.674      6.57598  16.6234  0.174279  16.5886  0.198208  
1 1 1 28 11 19 o 3.56971  0.109878  12.751       0.784467 11.0815      1.10101  14.4724      1.11799  3.32648  0.165492  3.8021   0.147022  
1 1 1 28 11 20 o 5.17429  0.0892097 26.7864      0.923194 27.7495      1.27675  25.7311      1.33648  5.26538  0.12124   5.06985  0.131807  
1 1 1 28 11 21 o 2.31567  0.157286  5.37209      0.728446 5.40439      0.978335 5.33192      1.09125  2.3209   0.210766  2.30429  0.236786  
1 1 1 28 11 22 o 1.55726  0.232359  2.43726      0.723689 2.35088      0.970911 2.54524      1.08556  1.49635  0.33311   1.55578  0.356362  
1 1 1 28 11 23 o 4.91238  0.089926  24.1531      0.883502 23.1932      1.20265  25.2784      1.3022   4.81177  0.12497   5.02309  0.129621  
1 1 1 28 11 24 o 7.78364  0.0889192 60.6483      1.38423  60.9781      1.89375  60.2699      2.02838  7.80127  0.121374  7.75463  0.130785  
1 1 1 28 11 25 o 4.39254  0.099118  19.3232      0.870759 19.6336      1.21785  18.9985      1.24549  4.42455  0.137625  4.35189  0.143098  
1 1 1 28 11 26 o 4.93021  0.0952751 24.3469      0.939452 24.802       1.33865  23.9053      1.31875  4.97197  0.134619  4.88121  0.135084  
1 1 1 28 11 27 o 2.81354  0.142991  7.94955      0.804625 8.24022      1.12618  7.64646      1.15001  2.85919  0.196941  2.75289  0.208874  
1 1 1 28 11 28 o 3.4638   0.122739  12.0418      0.850287 11.3864      1.19432  12.7154      1.21082  3.36153  0.177645  3.55337  0.170377  
1 1 1 28 11 29 o 4.10004  0.114475  16.8741      0.938705 17.0018      1.38244  16.7649      1.27869  4.10664  0.168317  4.08013  0.156697  
1 1 1 28 11 30 o 3.95018  0.120488  15.6795      0.9519   16.9331      1.36789  14.5024      1.32549  4.09575  0.166989  3.78868  0.174928  
1 1 1 28 11 31 o 1.24269  0.34977   1.65915      0.905898 1.91756      1.25544  1.37843      1.30847  1.34055  0.420984  1.20317  0.429359  
1 1 1 28 11 32 o 1.49117  0.307557  2.38589      0.885917 1.77531      1.21221  3.08588      1.29793  1.29234  0.414624  1.67362  0.393871  
1 1 1 28 11 33 o 1.90806  0.227566  3.73622      0.868417 4.38908      1.1994   3.01685      1.25902  2.05107  0.292385  1.64508  0.388416  
1 1 1 28 11 34 o 1.74403  0.252465  3.15533      0.880612 3.13493      1.22027  3.17749      1.27209  1.67441  0.373931  1.68115  0.386234  
1 1 1 28 11 35 o 2.89844  0.169722  8.56301      0.983859 8.2142       1.36341  8.94199      1.42116  2.81115  0.242501  2.93316  0.242257  
1 1 1 28 11 36 o 2.62036  0.185801  7.04651      0.97373  6.40204      1.35282  7.73934      1.40266  2.46043  0.274914  2.71383  0.258427  
1 1 1 28 11 37 o 0.779496 0.33925   0.0225061    0.988537 -1.03171     1.36683  1.17868      1.4314   0.75848  0.355665  1.12115  0.439284  
1 1 1 28 11 38 o 0.952389 0.362768  0.879993     0.959359 1.7814       1.34288  -0.0596134   1.37104  1.22199  0.435077  0.868028 0.38718   
1 1 1 28 11 39 o 1.1129   0.368088  1.47368      0.953279 -0.0635223   1.30651  3.22369      1.39402  0.8381   0.375781  1.5808   0.429714  
1 1 1 28 11 40 o 1.53238  0.35992   2.94168      1.0855   2.51658      1.55259  3.34816      1.51823  1.31921  0.468006  1.53207  0.459382  
1 1 1 28 11 41 o 1.04855  0.374435  1.42936      0.995272 1.70111      1.40368  1.1546       1.41141  1.10764  0.434795  1.00198  0.419459  
1 1 1 28 11 42 o 0.61307  0.297497  -1.09752     1.14612  0.322783     1.58243  -2.66471     1.66224  0.849045 0.392999  0.635879 0.31746   
1 1 1 28 11 43 o 1.55121  0.378915  3.744        1.16708  6.82075      1.71526  1.09165      1.59257  2.00334  0.440058  0.873146 0.400176  
1 1 1 28 11 44 f 0.699952 0.331029  0.0865707    1.23786  -0.453137    1.81978  0.551359     1.68875  0.724193 0.356701  0.786123 0.376711  
1 1 1 28 12 0  o 16.6422  0.163158  277.096      5.42942  277.096      5.42942  277.096      5.42942  16.6442  0.115343  ?        ?         
1 1 1 28 12 1  o 25.3141  0.172543  641.085      8.73552  648.012      12.4875  634.446      12.2244  25.4444  0.245388  25.1769  0.242771  
1 1 1 28 12 2  o 8.54315  0.0697821 72.9908      1.19232  72.3758      1.72364  73.555       1.65108  8.50673  0.10131   8.57582  0.0962639 
1 1 1 28 12 3  o 23.9311  0.16343   572.927      7.82212  571.743      11.0485  574.117      11.0758  23.9014  0.231127  23.951   0.231219  
1 1 1 28 12 4  o 3.80703  0.0587019 14.4942      0.44696  13.7997      0.643702 15.1408      0.621097 3.71458  0.0866454 3.89093  0.0798134 
1 1 1 28 12 5  o 20.7535  0.149137  430.851      6.19023  432.933      9.01852  428.996      8.51203  20.7995  0.216796  20.7055  0.20555   
1 1 1 28 12 6  o 16.7232  0.123488  279.732      4.13025  280.558      5.9346   278.957      5.75179  16.7457  0.177198  16.6981  0.172229  
1 1 1 28 12 7  o 1.73617  0.107105  3.01485      0.371904 3.37406      0.564762 2.73981      0.494179 1.83649  0.153761  1.65493  0.149305  
1 1 1 28 12 8  f 24.063   0.166678  579.315      8.02155  575.673      11.1599  583.207      11.5379  23.9815  0.232677  24.1373  0.239007  
1 1 1 28 12 9  o 16.7064  0.114439  279.174      3.82372  277.916      5.39232  280.445      5.42293  16.6666  0.16177   16.7422  0.161954  
1 1 1 28 12 10 o 11.6096  0.0855237 134.803      1.98579  134.136      2.82737  135.452      2.78966  11.5799  0.122081  11.6367  0.119865  
1 1 1 28 12 11 o 7.48689  0.0805069 56.0613      1.20549  56.2164      1.66911  55.8922      1.74293  7.49677  0.111322  7.47502  0.116584  
1 1 1 28 12 12 o 14.4007  0.103949  207.429      2.99387  210.794      4.29178  204.239      4.17844  14.5152  0.147837  14.2878  0.146224  
1 1 1 28 12 13 o 5.52784  0.0785886 30.5615      0.86885  30.3094      1.21707  30.8234      1.24075  5.50459  0.110551  5.55105  0.111758  
1 1 1 28 12 14 o 13.9966  0.106097  195.962      2.96998  198.652      4.30912  193.529      4.09913  14.09    0.152914  13.9074  0.147372  
1 1 1 28 12 15 o 1.0861   0.294754  1.22155      0.65655  0.678461     0.911943 1.80596      0.945996 0.952156 0.355956  1.31859  0.352007  
1 1 1 28 12 16 o 18.3196  0.137747  335.82       5.04697  333.529      7.19211  338.042      7.08409  18.2511  0.197033  18.3746  0.192768  
1 1 1 28 12 17 o 17.8242  0.137042  317.944      4.88533  313.361      7.00547  322.283      6.81621  17.6878  0.198031  17.939   0.189983  
1 1 1 28 12 18 o 2.61373  0.150201  6.83904      0.785169 5.95827      1.02329  8.09992      1.22435  2.43836  0.209833  2.84284  0.215339  
1 1 1 28 12 19 o 5.24126  0.0837962 27.4817      0.878396 28.2708      1.20814  26.5968      1.2794   5.3151   0.113652  5.15497  0.124093  
1 1 1 28 12 20 o 5.71906  0.0885793 32.7246      1.01318  32.4742      1.3871   33.0109      1.48346  5.6958   0.121765  5.74232  0.129169  
1 1 1 28 12 21 o 5.65547  0.0842014 32.0023      0.952397 31.949       1.31246  32.0617      1.38419  5.64929  0.116161  5.65891  0.122302  
1 1 1 28 12 22 o 3.63543  0.105408  13.2314      0.766408 12.3455      1.03491  14.3075      1.1405   3.50973  0.147434  3.77814  0.150934  
1 1 1 28 12 23 o 5.15436  0.0889005 26.5917      0.91645  26.0233      1.24774  27.2576      1.35046  5.09686  0.122402  5.2158   0.129459  
1 1 1 28 12 24 o 3.40497  0.120715  11.6173      0.822064 10.6649      1.12477  12.7094      1.20446  3.25896  0.172566  3.55793  0.169264  
1 1 1 28 12 25 o 2.96065  0.131111  8.78963      0.776345 9.07881      1.08464  8.48584      1.1117   3.00519  0.180461  2.90444  0.191378  
1 1 1 28 12 26 o 8.64031  0.0893684 74.7683      1.54434  74.9228      2.18584  74.6144      2.18222  8.64266  0.126456  8.62484  0.126508  
1 1 1 28 12 27 o 2.06441  0.180416  4.29152      0.744906 5.14825      1.0432   3.40026      1.06402  2.25619  0.231187  1.82759  0.291099  
1 1 1 28 12 28 o 1.90833  0.20181   3.67989      0.770242 2.57789      1.07755  4.83125      1.10142  1.55135  0.354838  2.18027  0.252587  
1 1 1 28 12 29 o 0.95126  0.333954  0.838269     0.788697 1.24429      1.20466  0.533665     1.04341  1.15689  0.412061  0.938807 0.372847  
1 1 1 28 12 30 o 2.35825  0.193814  5.63464      0.914123 5.27089      1.28142  6.01156      1.30441  2.26402  0.282997  2.421    0.269396  
1 1 1 28 12 31 o 3.26656  0.149263  10.7594      0.975154 11.9372      1.30841  9.28767      1.46259  3.43163  0.19064   3.01436  0.242604  
1 1 1 28 12 32 o 5.89355  0.106969  34.9047      1.26086  36.1598      1.81594  33.7363      1.75203  5.98359  0.151743  5.77966  0.151568  
1 1 1 28 12 33 o 3.20841  0.143756  10.4053      0.922456 10.329       1.25914  10.4938      1.35526  3.18133  0.197895  3.20199  0.211628  
1 1 1 28 12 34 f 1.07553  0.353918  1.21874      0.881299 2.13108      1.24979  0.316386     1.24293  1.37455  0.417734  0.932157 0.392086  
1 1 1 28 12 35 o 1.20461  0.356749  1.61764      0.919465 0.552547     1.2525   2.86251      1.35408  0.973317 0.400253  1.56766  0.422342  
1 1 1 28 12 36 o 2.06359  0.233677  4.43686      0.964428 5.92612      1.33224  2.79706      1.39795  2.36329  0.28186   1.53664  0.435142  
1 1 1 28 12 37 o 2.62876  0.195528  7.14736      1.02799  7.00027      1.47985  7.28452      1.42908  2.55106  0.290046  2.61254  0.273503  
1 1 1 28 12 38 o 2.34072  0.215844  5.77973      1.01046  7.21316      1.43542  4.3716       1.42269  2.57038  0.279223  1.9088   0.386162  
1 1 1 28 12 39 o 2.46703  0.196687  6.41052      0.970465 5.61757      1.32274  7.33497      1.42821  2.23909  0.295374  2.57502  0.277321  
1 1 1 28 12 40 o 0.738673 0.335471  -0.140314    1.07694  -0.0371301   1.51731  -0.245066    1.52879  0.85938  0.392503  0.837091 0.387012  
1 1 1 28 12 41 o 0.564771 0.275379  -1.31528     1.01103  -0.233053    1.35667  -2.66702     1.51621  0.778225 0.361622  0.619197 0.308291  
1 1 1 28 12 42 o 0.915483 0.38196   1.08188      1.16427  -0.857689    1.57015  3.45086      1.73528  0.73129  0.353414  1.33489  0.492607  
1 1 1 28 12 43 o 0.587847 0.288577  -1.08795     1.16008  -1.38998     1.70348  -0.826727    1.58421  0.671674 0.333355  0.689499 0.338077  
1 1 1 28 12 44 o 0.738208 0.340469  0.583798     1.17391  0.48536      1.63245  0.689215     1.68932  0.756854 0.36454   0.776584 0.373258  
1 1 1 28 13 0  o 21.8662  0.207395  478.415      9.06806  478.415      9.06806  478.415      9.06806  21.8694  0.146614  ?        ?         
1 1 1 28 13 1  o 16.7955  0.113986  282.142      3.82889  280.82       5.39463  283.484      5.43534  16.7544  0.160992  16.8336  0.161443  
1 1 1 28 13 2  o 14.2238  0.0989262 202.346      2.81421  200.18       3.89854  204.702      4.06656  14.1464  0.137792  14.3052  0.142136  
1 1 1 28 13 3  o 15.4494  0.106893  238.725      3.30286  239.045      4.63289  238.395      4.70997  15.4584  0.14985   15.4373  0.152552  
1 1 1 28 13 4  o 14.1808  0.102361  201.129      2.90312  200.342      4.19319  201.853      4.02333  14.1518  0.148151  14.2053  0.141614  
1 1 1 28 13 5  o 24.0753  0.174256  579.9        8.39053  574.056      11.6178  586.271      12.1308  23.948   0.242564  24.2006  0.250629  
1 1 1 28 13 6  o 9.19293  0.0766487 84.5183      1.40925  83.1674      1.94565  86.0093      2.04395  9.11872  0.106684  9.27316  0.110208  
1 1 1 28 13 7  o 4.468    0.0680951 19.9646      0.608497 20.086       0.87246  19.8497      0.849105 4.48136  0.0973432 4.45493  0.0952995 
1 1 1 28 13 8  o 2.40316  0.0866141 5.77602      0.416295 6.49892      0.62124  5.18685      0.560843 2.54893  0.121863  2.27713  0.123147  
1 1 1 28 13 9  o 7.74938  0.069965  60.0589      1.08437  60.3767      1.54469  59.7501      1.52261  7.76946  0.0994078 7.72905  0.0984992 
1 1 1 28 13 10 o 7.78592  0.0700857 60.6269      1.09136  60.053       1.49791  61.2762      1.59335  7.74862  0.0966564 7.82706  0.101785  
1 1 1 28 13 11 o 5.85543  0.0674304 34.2895      0.789669 34.0442      1.13703  34.518       1.09753  5.83413  0.0974467 5.87464  0.0934128 
1 1 1 28 13 12 o 14.2267  0.109464  202.456      3.11462  201.912      4.57397  202.927      4.25299  14.2053  0.160996  14.2415  0.149317  
1 1 1 28 13 13 f 1.38658  0.209104  1.92473      0.57988  1.65798      0.829087 2.18019      0.811349 1.26217  0.326175  1.44951  0.290116  
1 1 1 28 13 14 o 11.4989  0.091342  132.254      2.10066  134.552      3.01685  130.092      2.92675  11.5969  0.130071  11.4031  0.128331  
1 1 1 28 13 15 o 10.9971  0.0988011 120.972      2.17305  122.749      3.28339  119.587      2.89873  11.0755  0.148228  10.9326  0.132573  
1 1 1 28 13 16 o 3.1691   0.122072  10.0486      0.773717 10.1656      1.12263  9.94276      1.06783  3.18655  0.176152  3.15156  0.169412  
1 1 1 28 13 17 f 14.9566  0.119866  223.843      3.58557  224.518      5.13811  223.202      5.00599  14.974   0.171568  14.9305  0.167643  
1 1 1 28 13 18 o 7.25031  0.087279  52.5878      1.2656   52.0511      1.70175  53.2521      1.89317  7.21205  0.11798   7.29423  0.129772  
1 1 1 28 13 19 o 6.21168  0.0829932 38.6009      1.03105  39.3493      1.39942  37.7123      1.52491  6.27054  0.111587  6.13817  0.124215  
1 1 1 28 13 20 o 8.51001  0.0893981 72.4612      1.52156  74.8572      2.18301  70.1974      2.12191  8.64708  0.126228  8.37358  0.126703  
1 1 1 28 13 21 o 3.15128  0.117638  9.94256      0.741418 11.0664      1.0247   8.70777      1.07409  3.32317  0.154176  2.94662  0.182257  
1 1 1 28 13 22 o 3.50619  0.105309  12.308       0.738468 11.2524      1.00721  13.535       1.08593  3.35042  0.150312  3.67472  0.147756  
1 1 1 28 13 23 o 4.67916  0.0952259 21.9191      0.891153 22.6426      1.22834  21.1151      1.29485  4.7535   0.129203  4.58945  0.141069  
1 1 1 28 13 24 o 2.77806  0.138223  7.73896      0.76798  7.94479      1.03241  7.48398      1.14911  2.81174  0.18359   2.72687  0.210702  
1 1 1 28 13 25 o 6.28912  0.0854436 39.6022      1.07473  38.6416      1.48515  40.6583      1.55721  6.20862  0.119604  6.36823  0.122264  
1 1 1 28 13 26 o 0.687646 0.296346  -0.0578758   0.740412 -0.450089    1.01271  0.39253      1.08524  0.735539 0.330293  0.926003 0.375359  
1 1 1 28 13 27 o 2.28141  0.165983  5.23715      0.757351 4.94609      1.04512  5.55901      1.09903  2.21016  0.236435  2.34334  0.2345    
1 1 1 28 13 28 o 3.85062  0.11376   14.8799      0.876097 14.6277      1.2141   15.1538      1.26547  3.81152  0.159267  3.87881  0.163126  
1 1 1 28 13 29 o 4.91008  0.100443  24.1845      0.986365 23.329       1.38933  25.0539      1.4006   4.81438  0.144289  4.99006  0.140339  
1 1 1 28 13 30 o 1.63248  0.296015  2.82736      0.930908 2.5073       1.31952  3.14452      1.31351  1.51119  0.421097  1.69472  0.394548  
1 1 1 28 13 31 o 0.646205 0.294807  -0.520473    0.852519 0.126141     1.14487  -1.32526     1.27725  0.879059 0.373331  0.71815  0.33846   
1 1 1 28 13 32 o 1.23138  0.346461  1.65089      0.888999 1.52037      1.24898  1.78491      1.26565  1.21914  0.420987  1.2924   0.42413   
1 1 1 28 13 33 o 1.91741  0.229408  3.78327      0.879739 3.04993      1.19383  4.65474      1.3014   1.65596  0.369891  2.10239  0.309506  
1 1 1 28 13 34 o 0.608824 0.285382  -0.798058    0.877027 -0.500565    1.19644  -1.14356     1.28938  0.780198 0.354134  0.73193  0.343615  
1 1 1 28 13 35 o 1.46004  0.321472  2.37162      0.913389 1.41491      1.23659  3.52028      1.35497  1.16369  0.417184  1.74877  0.396473  
1 1 1 28 13 36 o 1.05766  0.36739   1.17635      0.952401 1.54385      1.28126  0.722529     1.42378  1.19543  0.425042  1.03858  0.42686   
1 1 1 28 13 37 o 0.725617 0.323818  -0.198219    0.960079 -0.697493    1.37149  0.281543     1.34443  0.794772 0.367109  0.92689  0.399389  
1 1 1 28 13 38 o 1.82525  0.265066  3.61751      0.967624 3.46252      1.34983  3.78135      1.38782  1.6719   0.406947  1.75276  0.403919  
1 1 1 28 13 39 o 1.06991  0.369373  1.36611      0.961452 1.86277      1.30956  0.785361     1.41608  1.20737  0.429668  0.9882   0.417217  
1 1 1 28 13 40 o 0.950616 0.372726  1.01188      1.03088  1.13989      1.40688  0.863457     1.51486  1.01602  0.421631  0.980493 0.423234  
1 1 1 28 13 41 o 0.569922 0.278007  -1.30595     1.03435  -1.44632     1.40016  -1.13732     1.53467  0.665119 0.324265  0.721543 0.348824  
1 1 1 28 13 42 o 1.19976  0.413926  2.32939      1.2072   1.9659       1.59218  2.82093      1.8515   1.06706  0.446029  1.18241  0.486507  
1 1 1 28 13 43 f 0.642303 0.307481  -0.335981    1.11791  0.0208203    1.65663  -0.634311    1.51482  0.751873 0.363302  0.684551 0.334399  
1 1 1 28 13 44 o 0.640774 0.309372  -0.0924222   1.19317  0.405051     1.64571  -0.643709    1.73243  0.717837 0.350251  0.660392 0.328905  
1 1 1 28 14 0  o 18.4857  0.177013  341.896      6.54306  341.896      6.54306  341.896      6.54306  18.488   0.125138  ?        ?         
1 1 1 28 14 1  o 7.83235  0.063547  61.3495      0.995445 61.6615      1.39788  61.0286      1.41788  7.85199  0.0890143 7.81157  0.090755  
1 1 1 28 14 2  o 9.85293  0.0726867 97.0883      1.43235  96.6098      2.01926  97.5729      2.03212  9.8282   0.102728  9.87706  0.10287   
1 1 1 28 14 3  o 23.1546  0.156719  536.345      7.25751  536.663      10.1652  536.013      10.3651  23.1569  0.219485  23.1425  0.223941  
1 1 1 28 14 4  o 9.77205  0.0784393 95.5027      1.53303  92.6989      2.17416  98.2751      2.16195  9.62699  0.11292   9.91238  0.109053  
1 1 1 28 14 5  o 5.86846  0.0661841 34.4415      0.776797 35.1131      1.15436  33.8856      1.05014  5.92514  0.0974116 5.82072  0.0902071 
1 1 1 28 14 6  o 25.9305  0.185197  672.811      9.6045   667.327      13.4855  678.456      13.6822  25.8164  0.261182  26.0306  0.26281   
1 1 1 28 14 7  o 11.5594  0.0909294 133.641      2.10217  132.086      2.99347  135.153      2.95279  11.491   0.130253  11.6237  0.127016  
1 1 1 28 14 8  o 7.56536  0.0709244 57.2406      1.07314  55.6241      1.48442  59.0104      1.55321  7.4574   0.0995267 7.68102  0.101107  
1 1 1 28 14 9  o 3.06691  0.081738  9.40724      0.501366 9.2889       0.737508 9.50893      0.68363  3.0473   0.12101   3.08326  0.110862  
1 1 1 28 14 10 o 10.1041  0.0817598 102.109      1.65223  100.767      2.32705  103.473      2.34627  10.0368  0.115926  10.1707  0.115345  
1 1 1 28 14 11 o 13.3799  0.102227  179.065      2.73559  182.928      4.03869  175.79       3.71853  13.5216  0.149342  13.2556  0.140263  
1 1 1 28 14 12 o 3.26511  0.0927307 10.6632      0.605551 11.1013      0.839916 10.1889      0.873848 3.33121  0.126068  3.19126  0.136913  
1 1 1 28 14 13 o 10.1131  0.0857496 102.296      1.73439  104.547      2.4285   99.9516      2.47785  10.2229  0.118778  9.9955   0.123948  
1 1 1 28 14 14 o 5.72125  0.0866822 32.74        0.99186  33.9681      1.33262  31.2146      1.48515  5.82708  0.114347  5.58553  0.132946  
1 1 1 28 14 15 o 6.74531  0.0804235 45.509       1.08496  43.8907      1.56134  47.0201      1.50875  6.62346  0.117864  6.85573  0.110036  
1 1 1 28 14 16 o 9.32597  0.08681   87.0002      1.61917  86.1284      2.2701   87.9031      2.31015  9.2777   0.122341  9.37275  0.123237  
1 1 1 28 14 17 f 8.75148  0.0865314 76.6159      1.51456  78.2756      2.13238  74.9262      2.15156  8.84425  0.120551  8.65277  0.124328  
1 1 1 28 14 18 o 7.79821  0.086013  60.8372      1.3415   61.2642      1.86555  60.3799      1.93044  7.82406  0.119219  7.76713  0.12427   
1 1 1 28 14 19 o 5.02438  0.0880618 25.2569      0.884911 25.3043      1.22786  25.2058      1.27646  5.0279   0.122105  5.0179   0.127191  
1 1 1 28 14 20 o 9.98389  0.0958895 99.7481      1.9147   102.488      2.73241  97.105       2.68384  10.1165  0.135047  9.84713  0.136275  
1 1 1 28 14 21 o 7.18032  0.0806905 51.5895      1.15877  52.0096      1.58939  51.1129      1.693    7.20755  0.110259  7.14451  0.118483  
1 1 1 28 14 22 o 1.56617  0.217041  2.46582      0.679846 2.8549       0.937741 2.03475      0.98705  1.68234  0.278702  1.39006  0.353996  
1 1 1 28 14 23 o 4.19351  0.0998352 17.6088      0.83732  17.5932      1.15211  17.6263      1.21902  4.18917  0.137511  4.19248  0.145381  
1 1 1 28 14 24 o 2.55047  0.142441  6.52493      0.726584 7.01866      1.00881  5.99274      1.04737  2.6419   0.190925  2.43939  0.214677  
1 1 1 28 14 25 o 1.97498  0.182195  3.92385      0.71966  4.81195      1.01138  3.01299      1.02425  2.18305  0.231643  1.69479  0.313972  
1 1 1 28 14 26 o 2.84017  0.13859   8.09839      0.787235 8.9808       1.06322  7.02758      1.17123  2.98715  0.177966  2.63771  0.222018  
1 1 1 28 14 27 o 5.51001  0.0916117 30.4208      1.00956  32.2327      1.41509  28.5427      1.44074  5.66689  0.124856  5.33098  0.135129  
1 1 1 28 14 28 o 3.0475   0.136138  9.33617      0.82976  8.0029       1.12922  10.9009      1.22333  2.813    0.200715  3.28563  0.186164  
1 1 1 28 14 29 o 2.06832  0.190661  4.32821      0.788695 3.90644      1.13477  4.72234      1.09695  1.94957  0.291032  2.15027  0.255074  
1 1 1 28 14 30 o 3.41606  0.153555  11.7681      1.04911  11.9155      1.52787  11.6366      1.44309  3.42117  0.223296  3.38354  0.213252  
1 1 1 28 14 31 o 6.12234  0.103199  37.6422      1.26364  37.7252      1.72679  37.5465      1.85412  6.11771  0.14113   6.09935  0.151993  
1 1 1 28 14 32 o 1.89954  0.238021  3.71049      0.904262 4.06956      1.28696  3.36036      1.27083  1.9656   0.327371  1.74347  0.375203  
1 1 1 28 14 33 o 4.59193  0.118041  21.2543      1.08408  21.8937      1.49702  20.5493      1.57196  4.64448  0.161161  4.49375  0.174905  
1 1 1 28 14 34 o 1.53324  0.31267   2.57435      0.925584 2.44039      1.24499  2.73988      1.38396  1.46018  0.409733  1.53842  0.432096  
1 1 1 28 14 35 o 2.47318  0.186947  6.27705      0.924709 6.14525      1.28528  6.41847      1.33141  2.41573  0.266023  2.46706  0.269837  
1 1 1 28 14 36 o 2.68012  0.190378  7.4045       1.02047  9.49707      1.43351  5.25461      1.45301  3.0102   0.23811   2.19246  0.331366  
1 1 1 28 14 37 o 1.25737  0.357819  1.84996      0.943014 1.85328      1.33163  1.84661      1.33562  1.25159  0.434452  1.24993  0.434985  
1 1 1 28 14 38 o 1.52137  0.321147  2.68331      0.946812 2.04806      1.33317  3.32979      1.3449   1.27724  0.435295  1.63132  0.41189   
1 1 1 28 14 39 o 2.07053  0.237002  4.657        0.981439 5.32892      1.35579  3.91729      1.42254  2.15018  0.315274  1.7372   0.414606  
1 1 1 28 14 40 o 0.743475 0.331502  0.0458647    1.00425  0.597407     1.386    -0.563709    1.4571   0.917304 0.400452  0.780459 0.366196  
1 1 1 28 14 41 o 0.550003 0.270914  -1.64773     1.07042  -0.781002    1.49129  -2.56882     1.53735  0.736047 0.353025  0.620375 0.309094  
1 1 1 28 14 42 o 1.11749  0.40977   2.04494      1.19893  2.9083       1.58604  0.893823     1.83138  1.23391  0.467478  0.915813 0.423475  
1 1 1 28 14 43 o 0.83119  0.360466  1.06037      1.10863  1.50329      1.64004  0.687681     1.5044   0.887364 0.406444  0.794554 0.37268   
1 1 1 28 14 44 o 0.825198 0.36455   1.4508       1.18152  2.29486      1.63388  0.525623     1.71059  0.876533 0.403236  0.719223 0.352269  
1 1 1 28 15 0  o 14.0551  0.141072  197.637      3.96466  197.637      3.96466  197.637      3.96466  14.0567  0.0997302 ?        ?         
1 1 1 28 15 1  o 4.00198  0.0610712 16.0168      0.488811 16.7255      0.699487 15.3404      0.683362 4.08942  0.0855238 3.91643  0.0872429 
1 1 1 28 15 2  o 10.6764  0.0783211 113.998      1.67238  115.529      2.41808  112.594      2.31547  10.7473  0.112497  10.61    0.109118  
1 1 1 28 15 3  o 25.0041  0.167077  625.509      8.35523  629.371      11.8978  621.751      11.736   25.0748  0.237246  24.9227  0.235448  
1 1 1 28 15 4  o 1.71048  0.131229  2.92664      0.44893  2.44602      0.629722 3.42335      0.640173 1.5634   0.201395  1.84973  0.173045  
1 1 1 28 15 5  o 9.26877  0.0764901 85.9195      1.41794  84.9914      1.99792  86.8614      2.01269  9.21805  0.10837   9.31891  0.10799   
1 1 1 28 15 6  o 6.77265  0.0678665 45.873       0.919272 46.7704      1.30062  44.9771      1.29948  6.83827  0.0950986 6.70587  0.0968909 
1 1 1 28 15 7  o 9.45854  0.0787474 89.4753      1.48967  86.1677      2.05197  93.1611      2.16608  9.28149  0.110541  9.65075  0.112223  
1 1 1 28 15 8  o 14.4006  0.107718  207.429      3.10241  206.17       4.3603   208.719      4.41516  14.3551  0.151872  14.4436  0.152842  
1 1 1 28 15 9  o 12.7006  0.0941677 161.337      2.39198  163.966      3.56652  159.187      3.22477  12.8022  0.139293  12.6147  0.127818  
1 1 1 28 15 10 o 20.6916  0.144775  428.345      5.99127  426.33       8.54773  430.292      8.40006  20.6378  0.207089  20.7339  0.202569  
1 1 1 28 15 11 o 7.18106  0.0757758 51.5747      1.0883   51.2531      1.46572  51.9699      1.62471  7.15821  0.10238   7.2079   0.112703  
1 1 1 28 15 12 f 6.8197   0.0734251 46.5149      1.00147  48.8098      1.50931  44.7097      1.3386   6.98532  0.108034  6.68565  0.10011   
1 1 1 28 15 13 o 6.7228   0.0788441 45.204       1.06011  45.7747      1.5052   44.6423      1.4933   6.7645   0.111257  6.68029  0.111769  
1 1 1 28 15 14 o 11.0966  0.0920309 123.169      2.04247  122.327      2.94778  123.946      2.83263  11.057   0.133299  11.1302  0.127249  
1 1 1 28 15 15 o 10.7037  0.092911  114.607      1.98899  114.455      2.74073  114.776      2.89099  10.6951  0.128131  10.7097  0.134971  
1 1 1 28 15 16 o 8.61018  0.0843793 74.159       1.45304  74.4035      2.0407   73.9074      2.06942  8.62301  0.118329  8.59412  0.120398  
1 1 1 28 15 17 o 5.4639   0.0849037 29.8653      0.927809 31.3805      1.35711  28.5356      1.27133  5.59971  0.121177  5.33992  0.11904   
1 1 1 28 15 18 o 6.21931  0.081878  38.6952      1.01845  37.5888      1.43739  39.8106      1.44324  6.12846  0.117272  6.3071   0.114414  
1 1 1 28 15 19 o 7.9714   0.082994  63.5735      1.32316  65.2388      1.83257  61.7598      1.91244  8.07341  0.113494  7.85466  0.121739  
1 1 1 28 15 20 f 1.96868  0.191402  3.88759      0.753619 3.60383      1.02777  4.21759      1.10834  1.8925   0.271539  2.04736  0.270675  
1 1 1 28 15 21 o 4.76524  0.0868819 22.7255      0.828027 23.3451      1.14814  22.0539      1.1953   4.82813  0.118901  4.6922   0.127371  
1 1 1 28 15 22 o 0.785629 0.304754  0.394921     0.685371 0.23152      0.938549 0.581609     1.0032   0.841995 0.346402  0.948987 0.368586  
1 1 1 28 15 23 o 4.51965  0.0939456 20.4525      0.849202 22.0835      1.17548  18.672       1.22816  4.69414  0.125207  4.31497  0.142314  
1 1 1 28 15 24 o 5.72232  0.084678  32.7828      0.969109 33.2727      1.35668  32.2725      1.38481  5.76174  0.117732  5.67401  0.122031  
1 1 1 28 15 25 o 2.82157  0.132961  7.988        0.750315 7.81413      1.0295   8.18499      1.09582  2.78635  0.184739  2.85095  0.192185  
1 1 1 28 15 26 f 3.22938  0.120077  10.4609      0.775547 9.66706      1.06286  11.3648      1.13419  3.09959  0.171452  3.36109  0.168723  
1 1 1 28 15 27 o 3.91943  0.111661  15.4105      0.875296 14.6371      1.1892   16.3248      1.29302  3.81416  0.155892  4.02732  0.160531  
1 1 1 28 15 28 o 2.61305  0.151731  6.87448      0.79296  5.63126      1.09096  8.26693      1.15457  2.35454  0.23167   2.85816  0.201979  
1 1 1 28 15 29 f 2.45013  0.169064  6.06179      0.82846  6.88963      1.19521  5.29623      1.14937  2.60123  0.22974   2.27646  0.252446  
1 1 1 28 15 30 o 2.34062  0.196801  5.55567      0.921276 6.12191      1.30904  4.99996      1.29681  2.44228  0.267995  2.2013   0.294555  
1 1 1 28 15 31 o 1.54751  0.277797  2.53861      0.828573 2.68198      1.15754  2.38795      1.18656  1.56392  0.374473  1.47289  0.3947    
1 1 1 28 15 32 o 1.21712  0.341131  1.61693      0.863483 1.68589      1.17924  1.53722      1.26787  1.25404  0.409395  1.22225  0.423956  
1 1 1 28 15 33 o 0.70375  0.308107  -0.103612    0.825353 0.408655     1.15516  -0.637863    1.17968  0.92597  0.383021  0.756959 0.345877  
1 1 1 28 15 34 o 2.84691  0.171333  8.26325      0.975539 8.0357       1.33147  8.52697      1.4334   2.78208  0.239294  2.86081  0.250524  
1 1 1 28 15 35 o 2.87115  0.165079  8.41384      0.947933 7.96259      1.32306  8.88981      1.35881  2.76231  0.239484  2.92222  0.232497  
1 1 1 28 15 36 o 1.09821  0.365896  1.32967      0.941963 0.758627     1.32546  1.91237      1.33891  1.01662  0.41384   1.28495  0.436232  
1 1 1 28 15 37 o 0.657803 0.303261  -0.518882    0.930117 0.891449     1.31358  -1.93699     1.3172   1.02107  0.413346  0.646847 0.315205  
1 1 1 28 15 38 o 2.09078  0.22656   4.65988      0.947377 4.53213      1.30025  4.80445      1.38318  1.99666  0.325607  2.04626  0.337977  
1 1 1 28 15 39 o 0.992258 0.370389  1.12741      0.986658 0.547579     1.34361  1.80602      1.45356  0.920832 0.398051  1.17375  0.446695  
1 1 1 28 15 40 o 0.776512 0.337504  0.282043     0.975964 -0.174692    1.32891  0.81683      1.43798  0.792674 0.364239  0.955054 0.412305  
1 1 1 28 15 41 o 0.65225  0.311427  -0.682125    1.12791  -0.711217    1.51623  -0.646079    1.68773  0.740928 0.355511  0.778067 0.373754  
1 1 1 28 15 42 o 1.60297  0.38156   3.88684      1.2073   3.52941      1.72203  4.23236      1.69309  1.27181  0.485561  1.43442  0.490548  
1 1 1 28 15 43 o 0.557146 0.275305  -1.3302      1.12784  -1.31088     1.69797  -1.34545     1.50876  0.668473 0.33191   0.636133 0.31532   
1 1 1 28 16 0  o 18.0635  0.173131  326.471      6.25342  326.471      6.25342  326.471      6.25342  18.066   0.122393  ?        ?         
1 1 1 28 16 1  o 5.4845   0.0587207 30.0817      0.644108 30.1503      0.911494 30.0132      0.91032  5.49058  0.0830052 5.47808  0.0830875 
1 1 1 28 16 2  o 14.6653  0.102249  215.112      2.99902  215.178      4.29241  215.05       4.19187  14.666   0.146339  14.6618  0.142953  
1 1 1 28 16 3  o 7.02893  0.0641097 49.4097      0.901245 48.9009      1.28167  49.9073      1.26755  6.99235  0.0916481 7.06396  0.0897195 
1 1 1 28 16 4  o 27.0224  0.188603  730.722      10.193   723.539      14.2809  738.181      14.5531  26.8799  0.265643  27.1502  0.268012  
1 1 1 28 16 5  o 5.17677  0.0741344 26.8019      0.767554 27.438       1.12748  26.2525      1.04786  5.23751  0.107635  5.12318  0.102266  
1 1 1 28 16 6  f 10.8833  0.0887034 118.465      1.93077  118.063      2.72621  118.87       2.73486  10.8639  0.125471  10.901   0.125441  
1 1 1 28 16 7  o 6.42359  0.0721862 41.2671      0.92739  42.4975      1.4195   40.3508      1.22495  6.5182   0.108888  6.3516   0.0964287 
1 1 1 28 16 8  o 11.7057  0.0918168 137.049      2.14956  136.988      3.04214  137.109      3.03774  11.702   0.129983  11.7072  0.129738  
1 1 1 28 16 9  o 8.48411  0.0770011 71.9896      1.30657  70.9673      1.81208  73.0966      1.88566  8.42311  0.107566  8.54849  0.110292  
1 1 1 28 16 10 o 37.0356  0.25159   1373.71      18.6355  1374.75      26.3842  1372.66      26.3251  37.0212  0.356339  36.9932  0.355811  
1 1 1 28 16 11 o 13.6343  0.102281  185.944      2.78907  187.978      4.08397  184.166      3.81811  13.7066  0.148979  13.5673  0.14071   
1 1 1 28 16 12 o 32.8295  0.234233  1079.43      15.3795  1073.15      22.1835  1085.24      21.3408  32.7062  0.339134  32.8943  0.324384  
1 1 1 28 16 13 o 5.78557  0.0760046 33.4788      0.87946  33.8615      1.22262  33.0684      1.266    5.81808  0.105071  5.74944  0.110098  
1 1 1 28 16 14 o 10.6285  0.0940048 113          1.99827  110.254      2.65962  116.561      3.02803  10.4972  0.126682  10.7926  0.140283  
1 1 1 28 16 15 o 8.75029  0.0807597 76.5885      1.41334  76.4955      1.94142  76.6933      2.06151  8.74389  0.111016  8.75491  0.117735  
1 1 1 28 16 16 o 3.91253  0.0978941 15.315       0.766027 15.1913      1.07298  15.4436      1.09397  3.8958   0.13771   3.92798  0.139254  
1 1 1 28 16 17 o 7.52191  0.0889889 56.6042      1.33873  58.5066      1.9426   54.8835      1.84749  7.64553  0.127041  7.40514  0.124744  
1 1 1 28 16 18 o 5.68818  0.0835233 32.3698      0.950191 31.6556      1.37636  33.0201      1.31339  5.62361  0.122374  5.74389  0.114329  
1 1 1 28 16 19 o 7.48716  0.0843422 56.0876      1.26297  57.6156      1.76894  54.4988      1.80378  7.58658  0.116584  7.37814  0.122238  
1 1 1 28 16 20 o 13.85    0.110656  192.043      3.06517  194.106      4.46465  190.203      4.21568  13.9155  0.16042   13.7764  0.153004  
1 1 1 28 16 21 o 3.03975  0.116326  9.25383      0.707202 9.50987      0.990823 8.98792      1.00972  3.07944  0.160877  2.99332  0.168662  
1 1 1 28 16 22 o 4.68457  0.0916903 21.9687      0.859059 20.9714      1.18178  23.0862      1.25095  4.57457  0.129168  4.7996   0.130318  
1 1 1 28 16 23 o 6.03494  0.0825144 36.457       0.995938 35.6883      1.35628  37.3565      1.46719  5.96825  0.113624  6.10546  0.120154  
1 1 1 28 16 24 f 5.32517  0.0872211 28.3947      0.928935 28.2607      1.29873  28.5351      1.32922  5.30918  0.12231   5.33464  0.124584  
1 1 1 28 16 25 o 3.68813  0.107766  13.6338      0.794907 14.4933      1.09562  12.6785      1.15507  3.79916  0.144192  3.55136  0.162624  
1 1 1 28 16 26 o 3.76117  0.107399  14.1831      0.807893 12.6942      1.08998  15.9984      1.20351  3.55354  0.153365  3.98964  0.150829  
1 1 1 28 16 27 o 3.4428   0.119586  11.8989      0.823422 13.0602      1.12421  10.5548      1.20945  3.60211  0.156048  3.23363  0.187011  
1 1 1 28 16 28 o 2.0354   0.184553  4.18628      0.751278 2.74362      1.03459  5.7956       1.09272  1.60106  0.334028  2.3882   0.228776  
1 1 1 28 16 29 o 1.15913  0.337633  1.42996      0.830122 2.02496      1.11194  0.68082      1.24769  1.36624  0.388468  1.02627  0.407674  
1 1 1 28 16 30 o 3.72283  0.128109  13.9466      0.953858 13.2919      1.35327  14.593       1.34469  3.6216   0.186834  3.79728  0.177059  
1 1 1 28 16 31 o 1.2722   0.324015  1.75754      0.826875 0.803337     1.16356  2.73109      1.17529  1.02489  0.397183  1.57363  0.377671  
1 1 1 28 16 32 o 2.1069   0.220087  4.55305      0.927401 4.69456      1.23697  4.3714       1.40147  2.11922  0.291846  1.99575  0.364659  
1 1 1 28 16 33 o 3.74496  0.127329  14.1618      0.953688 13.2663      1.34182  15.0759      1.35572  3.6047   0.186122  3.84678  0.176215  
1 1 1 28 16 34 o 1.42733  0.329667  2.26881      0.922809 2.72906      1.23142  1.67927      1.39369  1.54029  0.397266  1.25007  0.443417  
1 1 1 28 16 35 o 0.884329 0.348117  0.59217      0.902173 0.632505     1.23465  0.54596      1.32151  0.979573 0.399193  0.984151 0.408537  
1 1 1 28 16 36 o 1.05656  0.365082  1.19753      0.939416 -0.107457    1.35215  2.41518      1.30611  0.87291  0.387246  1.42121  0.426072  
1 1 1 28 16 37 o 1.4197   0.336606  2.35499      0.942462 2.3276       1.346    2.38135      1.32007  1.36077  0.436939  1.37711  0.431529  
1 1 1 28 16 38 o 0.539711 0.262399  -1.32526     0.899129 -1.37502     1.21572  -1.26518     1.33588  0.653275 0.314636  0.703034 0.33645   
1 1 1 28 16 39 o 0.889149 0.355726  0.770459     0.956816 1.24342      1.3147   0.237832     1.39516  1.0375   0.416188  0.875121 0.390451  
1 1 1 28 16 40 o 0.865202 0.350013  0.757658     0.941002 -0.271777    1.2633   2.04074      1.41037  0.758227 0.35103   1.17826  0.442236  
1 1 1 28 16 41 o 1.55163  0.389736  3.49841      1.20883  2.04594      1.74039  4.85228      1.68029  1.08394  0.46032   1.69273  0.476333  
1 1 1 28 16 42 o 0.928662 0.379212  1.42805      1.11641  2.45946      1.65777  0.572092     1.51021  1.05669  0.449019  0.809837 0.378324  
1 1 1 28 16 43 o 0.834558 0.366137  1.10139      1.17055  0.484022     1.85817  1.50756      1.50719  0.791601 0.382889  0.886052 0.40014   
1 1 1 28 17 0  o 6.7045   0.0893916 44.9779      1.19817  44.9779      1.19817  44.9779      1.19817  6.70553  0.0631871 ?        ?         
1 1 1 28 17 1  o 10.0569  0.0759874 101.154      1.5284   98.6603      2.09727  103.977      2.23198  9.93167  0.105585  10.1957  0.109457  
1 1 1 28 17 2  o 5.1903   0.0630543 26.9414      0.654542 26.5533      0.930239 27.3219      0.921151 5.15257  0.0902695 5.22662  0.0881211 
1 1 1 28 17 3  o 10.9071  0.082815  118.982      1.80655  118.573      2.51882  119.415      2.59245  10.8877  0.115673  10.9261  0.118636  
1 1 1 28 17 4  o 23.8999  0.16959   571.542      8.10635  566.292      11.492   576.742      11.4364  23.7825  0.241607  24.0013  0.238245  
1 1 1 28 17 5  o 4.76198  0.0743938 22.679       0.708524 22.1817      1.06075  23.0797      0.952046 4.70911  0.112628  4.80364  0.0990964 
1 1 1 28 17 6  o 12.3328  0.0962549 152.129      2.37419  154.419      3.44533  150.058      3.27628  12.424   0.138656  12.2475  0.133753  
1 1 1 28 17 7  o 22.206   0.162008  493.389      7.19509  497.727      10.3802  489.377      9.98226  22.2966  0.232775  22.1096  0.225745  
1 1 1 28 17 8  o 18.0246  0.133393  325.016      4.8087   322.022      6.6599   328.276      6.95047  17.938   0.185637  18.1108  0.191887  
1 1 1 28 17 9  o 11.7318  0.0927873 137.663      2.17712  137.568      3.07996  137.757      3.07787  11.7265  0.131324  11.7346  0.131145  
1 1 1 28 17 10 o 13.2686  0.101226  176.101      2.68624  176.49       3.9635   175.771      3.65328  13.2811  0.149215  13.2546  0.137811  
1 1 1 28 17 11 o 2.24437  0.126772  5.03945      0.569048 4.25485      0.809135 5.80728      0.800446 2.06163  0.196237  2.40891  0.166143  
1 1 1 28 17 12 o 16.4208  0.127244  269.773      4.17888  271.349      5.86871  268.151      5.95183  16.4648  0.17822   16.3672  0.181822  
1 1 1 28 17 13 o 3.73253  0.0953188 13.936       0.711561 13.9754      1.0196   13.8985      0.993504 3.73722  0.136412  3.72697  0.133286  
1 1 1 28 17 14 o 6.68699  0.0785353 44.7266      1.05033  43.8445      1.45204  45.6946      1.52114  6.61995  0.109672  6.75809  0.112542  
1 1 1 28 17 15 o 5.76876  0.0756373 33.2874      0.872667 32.9199      1.21876  33.674       1.25011  5.73609  0.106237  5.80136  0.107743  
1 1 1 28 17 16 o 20.9903  0.153685  441.143      6.45179  437.058      9.04707  445.369      9.20336  20.8802  0.216642  21.0774  0.218323  
1 1 1 28 17 17 o 9.87687  0.092042  97.602       1.81817  98.1713      2.47384  96.9333      2.68123  9.9035   0.124897  9.83998  0.136242  
1 1 1 28 17 18 o 7.42072  0.0818646 55.0927      1.21499  54.1628      1.72562  56.0069      1.71098  7.35599  0.117294  7.48035  0.114365  
1 1 1 28 17 19 o 1.83309  0.191533  3.37042      0.702192 3.56398      0.964925 3.15252      1.02379  1.8827   0.256261  1.76936  0.289309  
1 1 1 28 17 20 o 8.1256   0.0835909 66.0732      1.35845  66.3345      1.91217  65.807       1.93024  8.13883  0.117472  8.10625  0.119059  
1 1 1 28 17 21 o 5.45979  0.0844178 29.8339      0.921807 29.0611      1.30104  30.6129      1.30624  5.38627  0.120773  5.52841  0.118139  
1 1 1 28 17 22 o 3.66677  0.101589  13.4643      0.745009 13.6452      1.01496  13.2529      1.09703  3.68914  0.13756   3.63476  0.150907  
1 1 1 28 17 23 o 2.0663   0.159343  4.28648      0.658499 5.30844      0.926018 3.24105      0.936588 2.29667  0.2016    1.79068  0.261518  
1 1 1 28 17 24 o 1.64632  0.20929   2.73211      0.689118 4.11766      0.970821 1.32501      0.978342 2.01851  0.24048   1.15125  0.372802  
1 1 1 28 17 25 o 2.41792  0.149657  5.87342      0.723715 5.44528      0.980884 6.38496      1.07217  2.32289  0.211134  2.51513  0.213145  
1 1 1 28 17 26 o 1.41799  0.256454  2.10333      0.70062  1.46771      0.949405 2.86339      1.03819  1.18927  0.364626  1.64425  0.327315  
1 1 1 28 17 27 o 1.77744  0.212324  3.19975      0.754786 3.29928      1.02199  3.08032      1.11953  1.79602  0.284513  1.69951  0.341384  
1 1 1 28 17 28 o 2.82179  0.134373  8.00869      0.758347 6.94841      1.042    9.20272      1.10577  2.61916  0.198919  3.01715  0.183247  
1 1 1 28 17 29 o 2.84896  0.159916  8.19108      0.911185 7.50964      1.24244  8.98415      1.34034  2.71477  0.22883   2.97011  0.225639  
1 1 1 28 17 30 o 1.37201  0.306553  2.02476      0.819789 2.94292      1.21913  1.26691      1.1076   1.63918  0.379126  1.13671  0.396066  
1 1 1 28 17 31 o 1.51112  0.277199  2.43752      0.806498 2.80048      1.15071  2.08709      1.13068  1.59228  0.368371  1.37296  0.392159  
1 1 1 28 17 32 o 2.12792  0.218499  4.64997      0.929899 4.85367      1.2361   4.38439      1.41143  2.15342  0.287008  1.99344  0.367833  
1 1 1 28 17 33 o 2.84803  0.162843  8.2451       0.927563 8.72811      1.26567  7.6847       1.36331  2.9114   0.217365  2.71891  0.25071   
1 1 1 28 17 34 o 0.960557 0.352039  0.876156     0.884798 1.85421      1.21781  -0.217364    1.2877   1.28017  0.416037  0.846246 0.376407  
1 1 1 28 17 35 o 0.701998 0.315834  -0.305487    0.930261 -0.835641    1.27808  0.291822     1.35661  0.756151 0.351221  0.944626 0.403936  
1 1 1 28 17 36 o 1.5906   0.298731  2.81396      0.915328 3.35216      1.29282  2.273        1.29613  1.68483  0.390895  1.37317  0.427061  
1 1 1 28 17 37 o 1.07869  0.366531  1.34143      0.945233 0.359595     1.37672  2.21699      1.30009  0.928688 0.402206  1.32801  0.429725  
1 1 1 28 17 38 o 0.96006  0.356539  0.997509     0.911926 0.863795     1.22344  1.16468      1.36794  0.973639 0.397175  1.05514  0.424005  
1 1 1 28 17 39 o 1.19315  0.367729  1.84434      0.963931 0.948993     1.33773  2.81127      1.39019  0.974525 0.408188  1.40062  0.443483  
1 1 1 28 17 40 o 0.946535 0.37008   1.10661      1.01482  2.15187      1.43122  0.0497339    1.43916  1.17978  0.444926  0.824781 0.379015  
1 1 1 28 17 41 o 0.707578 0.32982   -0.182704    1.13978  0.0060569    1.61203  -0.3714      1.61175  0.815151 0.383024  0.779967 0.372377  
1 1 1 28 17 42 o 0.662177 0.312537  -0.157992    1.0968   -0.217285    1.67313  -0.113311    1.4524   0.743046 0.360216  0.725314 0.348002  
1 1 1 28 17 43 o 0.729111 0.338931  0.509716     1.19322  0.770876     1.79762  0.304017     1.59537  0.78456  0.378985  0.737963 0.356571  
1 1 1 28 18 0  o 3.56515  0.125984  12.76        0.895764 12.76        0.895764 12.76        0.895764 3.56865  0.0888698 ?        ?         
1 1 1 28 18 1  o 15.7895  0.109736  249.372      3.46538  247.333      4.81433  251.564      4.99206  15.723   0.153099  15.8567  0.157412  
1 1 1 28 18 2  o 27.7368  0.189004  769.903      10.4847  774.365      14.602   765.155      15.0642  27.8073  0.262556  27.6399  0.272507  
1 1 1 28 18 3  o 14.7753  0.108665  218.364      3.21112  217.636      4.59444  219.06       4.48977  14.7487  0.155757  14.7971  0.151712  
1 1 1 28 18 4  o 5.44445  0.0681855 29.645       0.742465 29.5992      1.08659  29.6851      1.01688  5.43993  0.099872  5.4479   0.0933277 
1 1 1 28 18 5  o 6.11428  0.0676567 37.3881      0.827344 36.6554      1.14845  38.1786      1.19289  6.05378  0.0948543 6.17826  0.0965396 
1 1 1 28 18 6  o 6.744    0.0687872 45.4863      0.927802 44.8286      1.30415  46.1603      1.32022  6.69472  0.0974013 6.79343  0.0971689 
1 1 1 28 18 7  o 18.7799  0.141889  352.848      5.32933  349.981      7.57266  355.661      7.50148  18.699   0.202489  18.8504  0.198974  
1 1 1 28 18 8  o 9.61855  0.0835671 92.532       1.60759  93.0435      2.2314   91.9801      2.31802  9.64434  0.115684  9.58893  0.12087   
1 1 1 28 18 9  o 14.1582  0.107387  200.513      3.0408   202.368      4.33886  198.723      4.26282  14.2214  0.152547  14.0927  0.151242  
1 1 1 28 18 10 o 2.13936  0.122176  4.57874      0.522759 4.22684      0.827324 4.81262      0.674462 2.05478  0.201317  2.19305  0.153772  
1 1 1 28 18 11 o 2.62835  0.109961  6.9107       0.578032 6.27099      0.826306 7.52374      0.808895 2.50318  0.165051  2.74206  0.147498  
1 1 1 28 18 12 o 4.34172  0.0800407 18.8544      0.695028 18.0749      0.981617 19.638       0.984223 4.25055  0.115469  4.4306   0.111071  
1 1 1 28 18 13 o 9.27596  0.0829297 86.0654      1.5385   87.6927      2.23539  84.6008      2.12068  9.36194  0.119387  9.19558  0.11531   
1 1 1 28 18 14 f 10.1006  0.087637  102.056      1.77037  104.005      2.56564  100.284      2.44599  10.1947  0.125832  10.0109  0.122167  
1 1 1 28 18 15 o 6.80173  0.0781418 46.2777      1.063    47.7535      1.5879   45.0792      1.43094  6.9081   0.11493   6.7122   0.106592  
1 1 1 28 18 16 o 8.36573  0.0836172 70.0132      1.39904  67.5854      2.02126  72.2461      1.93842  8.21751  0.122985  8.49663  0.11407   
1 1 1 28 18 17 o 6.61238  0.0784656 43.741       1.03769  43.0947      1.42866  44.4627      1.50971  6.56211  0.108857  6.66523  0.113253  
1 1 1 28 18 18 o 5.05023  0.0843472 25.5186      0.851946 25.3327      1.21884  25.6961      1.1913   5.03034  0.121149  5.06645  0.117567  
1 1 1 28 18 19 o 2.33228  0.145117  5.45019      0.676906 4.80507      0.945363 6.12894      0.96968  2.18731  0.216102  2.47126  0.196192  
1 1 1 28 18 20 o 4.59972  0.0924023 21.1772      0.85005  20.4519      1.16047  22.0168      1.24867  4.51833  0.128418  4.68769  0.133187  
1 1 1 28 18 21 o 2.95814  0.124192  8.76749      0.734754 9.53966      1.06613  8.06894      1.01403  3.08285  0.172912  2.8349   0.178847  
1 1 1 28 18 22 o 3.30229  0.108709  10.9237      0.717976 11.7675      1.01779  10.088       1.01297  3.42488  0.148587  3.17028  0.159761  
1 1 1 28 18 23 o 4.08214  0.0956401 16.6893      0.780833 16.8909      1.10542  16.4886      1.10311  4.10359  0.134689  4.0543   0.136042  
1 1 1 28 18 24 o 2.16314  0.163121  4.70339      0.705707 5.67186      0.996901 3.73055      0.999143 2.37141  0.210191  1.91887  0.260346  
1 1 1 28 18 25 o 1.89641  0.1798    3.62153      0.681952 4.41468      0.959315 2.81125      0.969618 2.08932  0.229576  1.63476  0.307851  
1 1 1 28 18 26 o 3.87876  0.10876   15.0904      0.843704 16.0806      1.14335  13.9066      1.25014  3.99964  0.142932  3.71576  0.168222  
1 1 1 28 18 27 o 5.17356  0.0938436 26.8356      0.971011 25.7735      1.32711  28.0593      1.42449  5.06397  0.131035  5.28298  0.134819  
1 1 1 28 18 28 o 5.21443  0.0969009 27.2773      1.01057  27.5035      1.42005  27.0452      1.43844  5.2278   0.135817  5.18335  0.138756  
1 1 1 28 18 29 o 1.31187  0.312054  1.8498       0.807941 2.64215      1.09918  0.918596     1.19161  1.56021  0.359419  1.06631  0.404845  
1 1 1 28 18 30 o 2.54497  0.171926  6.55388      0.875092 7.24118      1.2667   5.92637      1.21036  2.66049  0.238058  2.40366  0.251774  
1 1 1 28 18 31 o 2.06739  0.199719  4.36012      0.825791 3.0045       1.15571  5.77422      1.18037  1.65163  0.359867  2.36618  0.249426  
1 1 1 28 18 32 o 2.40616  0.195528  5.91791      0.94094  6.20572      1.23548  5.52042      1.45196  2.4462   0.252531  2.28343  0.317932  
1 1 1 28 18 33 o 1.22464  0.341556  1.66488      0.867724 2.64194      1.19765  0.585281     1.25893  1.52272  0.391221  0.985182 0.402557  
1 1 1 28 18 34 o 1.89843  0.236675  3.75596      0.89862  3.69108      1.23747  3.82835      1.30707  1.81382  0.353743  1.84022  0.368145  
1 1 1 28 18 35 o 1.41246  0.339988  2.27041      0.950285 2.45209      1.30383  2.06454      1.38792  1.43568  0.424735  1.32765  0.444144  
1 1 1 28 18 36 f 0.913778 0.349239  0.766938     0.891607 1.34145      1.23661  0.144913     1.28673  1.11712  0.415124  0.884104 0.385902  
1 1 1 28 18 37 o 0.867278 0.350444  0.584692     0.941779 0.267811     1.2992   0.935584     1.36715  0.892869 0.388762  1.02653  0.419486  
1 1 1 28 18 38 o 0.790128 0.334507  0.336984     0.914384 1.09942      1.26538  -0.496208    1.32279  1.02155  0.408924  0.774174 0.358715  
1 1 1 28 18 39 o 1.08101  0.373889  1.50452      0.98549  1.20011      1.37087  1.83008      1.41769  1.02184  0.419227  1.15229  0.440384  
1 1 1 28 18 40 o 0.622001 0.296479  -0.699489    1.01111  -1.85728     1.43411  0.444894     1.42578  0.640824 0.315622  0.862318 0.389315  
1 1 1 28 18 41 o 1.0694   0.400349  1.80321      1.1544   2.80743      1.70511  0.953394     1.56855  1.19763  0.476317  0.911219 0.410032  
1 1 1 28 18 42 o 0.573632 0.280123  -0.886761    1.06065  -2.00656     1.54516  0.111012     1.45854  0.603276 0.301638  0.736506 0.35225   
1 1 1 28 18 43 o 0.83613  0.364164  1.4784       1.14065  1.99817      1.65981  1.01326      1.57016  0.843701 0.394962  0.755289 0.362251  
1 1 1 28 19 0  o 5.36691  0.0937591 28.8328      1.0057   28.8328      1.0057   28.8328      1.0057   5.36827  0.0662581 ?        ?         
1 1 1 28 19 1  o 5.02492  0.0650658 25.2521      0.653901 24.8671      0.927261 25.633       0.922272 4.98623  0.0929821 5.06245  0.0910894 
1 1 1 28 19 2  o 19.8382  0.135619  393.71       5.38089  389.3        7.61064  398.119      7.6088   19.7227  0.192941  19.9451  0.190744  
1 1 1 28 19 3  o 16.9467  0.11851   287.277      4.01668  287.497      5.68148  287.056      5.67941  16.9505  0.16759   16.9375  0.167658  
1 1 1 28 19 4  o 2.53724  0.103858  6.43912      0.527024 6.21314      0.746395 6.66381      0.744259 2.492    0.149758  2.58084  0.144189  
1 1 1 28 19 5  o 6.58572  0.0700006 43.3765      0.922008 43.6289      1.29141  43.1141      1.3168   6.6045   0.0977672 6.56538  0.100283  
1 1 1 28 19 6  o 10.4595  0.0866996 109.421      1.81368  106.994      2.51596  112.047      2.61687  10.342   0.121638  10.5833  0.123632  
1 1 1 28 19 7  o 7.72916  0.0768505 59.7486      1.18798  60.4388      1.71309  59.1092      1.64886  7.77308  0.110194  7.68716  0.107248  
1 1 1 28 19 8  o 17.9435  0.134868  322.121      4.84002  327.393      6.77886  316.638      6.91274  18.0857  0.187409  17.7856  0.194335  
1 1 1 28 19 9  o 12.4828  0.0990344 155.863      2.47246  158.315      3.4908   153.396      3.50241  12.579   0.138755  12.3819  0.141433  
1 1 1 28 19 10 o 9.54235  0.0860004 91.0763      1.64129  92.2915      2.31337  89.8446      2.32898  9.60479  0.120428  9.47653  0.122882  
1 1 1 28 19 11 o 8.44309  0.0801861 71.3003      1.35404  73.0162      1.99231  69.8275      1.84586  8.5431   0.116603  8.35466  0.110469  
1 1 1 28 19 12 o 7.13411  0.0789773 50.9071      1.12687  51.9517      1.67378  50.041       1.52399  7.20599  0.116138  7.07248  0.107741  
1 1 1 28 19 13 o 1.96184  0.153409  3.85267      0.601928 4.27467      0.854246 3.43653      0.848296 2.06563  0.206776  1.8517   0.229058  
1 1 1 28 19 14 o 4.67703  0.0785325 21.8811      0.734598 21.4775      1.04345  22.2777      1.03437  4.63296  0.112612  4.71856  0.109606  
1 1 1 28 19 15 o 9.42461  0.0882909 88.8611      1.66421  92.333       2.38011  85.5399      2.32787  9.605    0.123899  9.2448   0.125902  
1 1 1 28 19 16 o 4.23971  0.0917364 17.9844      0.777871 17.9158      1.11533  18.0494      1.08543  4.23044  0.131822  4.24631  0.127808  
1 1 1 28 19 17 o 1.51893  0.210934  2.3144       0.640789 2.39494      0.887597 2.22672      0.926052 1.51622  0.303418  1.45806  0.325841  
1 1 1 28 19 18 o 1.10299  0.287367  1.27062      0.64021  1.51003      0.915742 1.04174      0.895387 1.21195  0.355133  1.05352  0.356736  
1 1 1 28 19 19 o 3.85586  0.101451  14.8835      0.782361 14.2618      1.0904   15.5431      1.12318  3.77243  0.144522  3.93836  0.142595  
1 1 1 28 19 20 o 7.30974  0.0847587 53.4765      1.23913  55.6238      1.69392  51.0047      1.81738  7.45257  0.113646  7.13507  0.127355  
1 1 1 28 19 21 o 1.8245   0.185091  3.34434      0.675398 3.71586      0.938958 2.94602      0.972223 1.91986  0.244539  1.68128  0.29992   
1 1 1 28 19 22 o 2.16485  0.154717  4.7037       0.669878 5.15294      0.947443 4.25464      0.947259 2.26236  0.209393  2.05426  0.23056   
1 1 1 28 19 23 o 6.15623  0.0841146 37.9472      1.03566  39.3755      1.51605  36.6974      1.41813  6.26675  0.12096   6.05037  0.117194  
1 1 1 28 19 24 o 7.33349  0.0838126 53.8568      1.22928  55.1181      1.73433  52.5834      1.74261  7.41391  0.116965  7.24085  0.120332  
1 1 1 28 19 25 o 2.62491  0.135156  6.91911      0.709546 6.28057      0.970615 7.65202      1.03986  2.49529  0.194489  2.75498  0.188723  
1 1 1 28 19 26 f 4.52105  0.0977114 20.4937      0.883517 20.4624      1.19766  20.5311      1.30867  4.5127   0.132699  4.51819  0.144822  
1 1 1 28 19 27 o 3.59039  0.112919  12.9419      0.810848 12.9583      1.12345  12.9241      1.17148  3.58609  0.15664   3.58012  0.163609  
1 1 1 28 19 28 o 1.81324  0.217837  3.34421      0.789981 4.7783       1.10593  1.85011      1.12883  2.16039  0.255956  1.31325  0.396586  
1 1 1 28 19 29 o 2.61144  0.161166  6.88733      0.84175  6.9127       1.14061  6.85699      1.24737  2.60538  0.218895  2.58995  0.24081   
1 1 1 28 19 30 o 1.61048  0.256719  2.66844      0.826879 2.10018      1.20429  3.17527      1.13734  1.38348  0.407855  1.71101  0.344459  
1 1 1 28 19 31 o 0.792532 0.318216  0.36083      0.769603 -0.0513686   1.07296  0.797612     1.10449  0.813358 0.353704  1.00302  0.387329  
1 1 1 28 19 32 o 0.980195 0.352491  0.91404      0.88341  -0.55644     1.16971  2.86631      1.34778  0.764057 0.347697  1.58285  0.419075  
1 1 1 28 19 33 o 1.62138  0.252676  2.74357      0.819367 3.99333      1.17381  1.55591      1.14427  1.93852  0.302759  1.19728  0.40328   
1 1 1 28 19 34 o 1.91101  0.241528  3.81419      0.923124 3.45971      1.23639  4.26072      1.38766  1.74685  0.365684  1.94105  0.370719  
1 1 1 28 19 35 o 1.58888  0.310828  2.81124      0.952508 2.78283      1.32159  2.84195      1.37404  1.52547  0.420064  1.53654  0.430215  
1 1 1 28 19 36 o 2.64697  0.181391  7.26324      0.960274 6.86932      1.36402  7.65032      1.35212  2.51973  0.270668  2.67191  0.253026  
1 1 1 28 19 37 o 1.83892  0.25678   3.66923      0.944395 3.62679      1.29056  3.71816      1.38565  1.7229   0.384405  1.72508  0.407596  
1 1 1 28 19 38 o 0.600692 0.283986  -0.769131    0.910321 -1.05679     1.25892  -0.4539      1.31787  0.688201 0.328694  0.772331 0.357933  
1 1 1 28 19 39 o 1.55048  0.332082  2.98137      0.999948 1.94752      1.41248  4.02011      1.41581  1.17205  0.442005  1.7128   0.416696  
1 1 1 28 19 40 o 0.74801  0.331904  0.258975     0.99396  1.12464      1.41937  -0.574048    1.39236  0.950917 0.410063  0.729444 0.347744  
1 1 1 28 19 41 o 0.778518 0.345328  0.509618     1.07481  0.743608     1.57443  0.305396     1.47088  0.86498  0.397043  0.804488 0.37487   
1 1 1 28 19 42 o 0.63327  0.302839  -0.327541    1.07726  -2.11391     1.4789   1.69165      1.57233  0.585853 0.292993  0.917182 0.411715  
1 1 1 28 20 0  o 43.1446  0.424672  1865.72      36.6365  1865.72      36.6365  1865.72      36.6365  43.1691  0.300085  ?        ?         
1 1 1 28 20 1  o 15.5309  0.109872  241.274      3.41282  238.406      4.77545  244.267      4.87913  15.4363  0.154683  15.6248  0.156134  
1 1 1 28 20 2  o 9.78237  0.0771971 95.7076      1.51034  92.4479      2.09078  99.2649      2.18417  9.6137   0.10874   9.96182  0.109627  
1 1 1 28 20 3  o 13.3308  0.0964657 177.748      2.57193  175.951      3.60223  179.617      3.67333  13.2618  0.135812  13.3992  0.137072  
1 1 1 28 20 4  o 6.8781   0.0694279 47.3136      0.955064 47.2895      1.35353  47.3375      1.34781  6.87595  0.0984253 6.87944  0.0979594 
1 1 1 28 20 5  o 17.8252  0.133614  317.873      4.76336  316.578      6.54716  319.331      6.94309  17.7853  0.184061  17.8616  0.194358  
1 1 1 28 20 6  o 10.7616  0.0888062 115.835      1.9114   116.963      2.71913  114.734      2.6874   10.8128  0.125737  10.7092  0.125471  
1 1 1 28 20 7  o 4.04163  0.0930094 16.3385      0.751819 16.802       1.03166  15.8135      1.09789  4.09817  0.125869  3.97562  0.138078  
1 1 1 28 20 8  o 15.8067  0.116962  249.945      3.69754  250.092      5.18235  249.793      5.27717  15.8084  0.163912  15.7987  0.167013  
1 1 1 28 20 9  o 12.6365  0.103555  159.732      2.61715  164.323      3.78536  155.528      3.62243  12.8147  0.147696  12.4672  0.145279  
1 1 1 28 20 10 o 15.3995  0.120223  237.254      3.70274  237.081      5.30572  237.417      5.16985  15.3902  0.172374  15.4015  0.167836  
1 1 1 28 20 11 o 7.1492   0.0737386 51.1209      1.05434  52.6545      1.57128  49.8649      1.42201  7.25482  0.108292  7.06023  0.100705  
1 1 1 28 20 12 o 7.78167  0.0776668 60.5695      1.20875  59.258       1.66821  62.019       1.75387  7.69604  0.108381  7.87318  0.111383  
1 1 1 28 20 13 o 2.73508  0.110277  7.4849       0.603232 7.51261      0.8556   7.45751      0.850618 2.73934  0.156169  2.72928  0.155832  
1 1 1 28 20 14 o 11.2472  0.0935037 126.559      2.10332  123.523      3.03721  129.356      2.9156   11.1086  0.136705  11.3686  0.128231  
1 1 1 28 20 15 o 6.67899  0.0787678 44.6253      1.05218  46.0485      1.53595  43.3668      1.44428  6.78334  0.113215  6.583    0.109698  
1 1 1 28 20 16 o 10.0859  0.0919084 101.782      1.85395  98.5321      2.58261  105.237      2.663    9.92065  0.130163  10.2527  0.129869  
1 1 1 28 20 17 o 5.55921  0.0765774 30.9188      0.851419 29.602       1.18445  32.3268      1.22474  5.43824  0.1089    5.68307  0.107753  
1 1 1 28 20 18 o 1.25261  0.261473  1.6384       0.63366  1.89879      0.889275 1.36983      0.903146 1.34442  0.332218  1.16179  0.355516  
1 1 1 28 20 19 o 5.29206  0.0876738 28.0294      0.927949 28.0464      1.32192  28.0129      1.30293  5.29137  0.124912  5.28834  0.123189  
1 1 1 28 20 20 f 6.55491  0.0827219 43.0036      1.08447  43.661       1.53535  42.3492      1.53199  6.60205  0.116279  6.50197  0.11781   
1 1 1 28 20 21 o 6.94589  0.0826125 48.2926      1.14763  49.0382      1.6599   47.6099      1.58846  6.99562  0.118638  6.89339  0.115216  
1 1 1 28 20 22 o 6.43248  0.0825711 41.4231      1.06227  41.859       1.55847  41.0449      1.45176  6.46207  0.120586  6.39981  0.113422  
1 1 1 28 20 23 o 1.22545  0.278516  1.58345      0.66731  1.04186      0.962211 2.08532      0.926255 1.06045  0.369189  1.40165  0.334576  
1 1 1 28 20 24 o 4.65354  0.0913034 21.6936      0.849768 21.4826      1.21551  21.8953      1.18845  4.62656  0.131362  4.67133  0.127207  
1 1 1 28 20 25 o 5.51485  0.086777  30.4702      0.957125 30.49        1.32204  30.4483      1.38749  5.51202  0.119923  5.50725  0.12597   
1 1 1 28 20 26 o 3.15051  0.120526  9.96727      0.759434 9.46955      1.03722  10.5424      1.115    3.06473  0.169219  3.23318  0.172431  
1 1 1 28 20 27 o 2.50779  0.143599  6.33128      0.720234 5.54048      0.981865 7.25245      1.05971  2.33684  0.210084  2.67576  0.198021  
1 1 1 28 20 28 o 2.06054  0.193219  4.30267      0.79627  3.76977      1.08971  4.91321      1.16639  1.91373  0.284708  2.18864  0.266463  
1 1 1 28 20 29 o 2.14149  0.194085  4.65457      0.831259 5.15285      1.12204  4.04838      1.23759  2.2422   0.25021   1.97378  0.313509  
1 1 1 28 20 30 o 2.09737  0.189244  4.47713      0.79383  3.05333      1.1162   5.9343       1.1292   1.67181  0.345575  2.40362  0.234896  
1 1 1 28 20 31 o 0.866906 0.330936  0.596853     0.799828 0.306065     1.1105   0.910297     1.15295  0.892968 0.372831  1.03888  0.397113  
1 1 1 28 20 32 o 1.24075  0.346702  1.70597      0.893238 1.77244      1.18807  1.61955      1.35473  1.26782  0.41085   1.24039  0.437458  
1 1 1 28 20 33 o 1.94049  0.219435  3.89795      0.851626 4.25347      1.22478  3.56516      1.18497  1.99511  0.306944  1.78942  0.343355  
1 1 1 28 20 34 o 1.25223  0.35705   1.77541      0.938078 0.876695     1.28483  2.80144      1.37282  1.04197  0.413764  1.53955  0.429687  
1 1 1 28 20 35 o 3.05999  0.156866  9.57361      0.960016 9.92505      1.35425  9.2186       1.36111  3.08325  0.219614  2.96576  0.229471  
1 1 1 28 20 36 o 2.55915  0.186227  6.81669      0.953162 6.69593      1.31698  6.94953      1.38127  2.48712  0.264759  2.52752  0.273246  
1 1 1 28 20 37 o 2.14771  0.211119  4.89183      0.906848 3.74032      1.24208  6.20638      1.32709  1.75996  0.365104  2.36773  0.280246  
1 1 1 28 20 38 o 0.640416 0.297835  -0.481597    0.922727 -0.116473    1.29597  -0.856996    1.31408  0.803108 0.365606  0.719608 0.340675  
1 1 1 28 20 39 o 0.714596 0.320519  0.00503198   0.951248 -1.18854     1.29663  1.39613      1.39982  0.669123 0.322923  1.04307  0.425062  
1 1 1 28 20 40 o 0.654491 0.305829  -0.306451    0.987672 -0.572606    1.3649   -0.0138905   1.431    0.71793  0.34274   0.788827 0.368416  
1 1 1 28 20 41 o 0.776244 0.345387  0.615132     1.08501  -0.758055    1.53105  2.00055      1.53785  0.694758 0.338781  1.00319  0.429562  
1 1 1 28 20 42 o 0.661235 0.311745  -0.0821422   1.08539  -0.10268     1.56669  -0.0631871   1.50511  0.728251 0.352132  0.724823 0.349338  
1 1 1 28 21 0  o 7.6796   0.0977322 59.0116      1.50054  59.0116      1.50054  59.0116      1.50054  7.68075  0.0690841 ?        ?         
1 1 1 28 21 1  o 10.7844  0.0825331 116.322      1.78014  113.632      2.47062  119.226      2.56714  10.6581  0.115904  10.9173  0.117573  
1 1 1 28 21 2  o 14.4186  0.102934  207.949      2.96831  207.157      4.08625  208.834      4.31908  14.3894  0.141988  14.4471  0.149479  
1 1 1 28 21 3  o 10.348   0.0841503 107.099      1.74157  105.304      2.49423  108.807      2.43281  10.2599  0.121552  10.4293  0.116634  
1 1 1 28 21 4  o 7.93744  0.0795683 63.0131      1.26314  62.9744      1.8744   63.0453      1.70964  7.93423  0.118121  7.93893  0.107675  
1 1 1 28 21 5  o 25.0083  0.188638  625.999      9.43506  631.782      12.7949  619.105      13.9685  25.1138  0.254739  24.856   0.280989  
1 1 1 28 21 6  o 14.7782  0.113964  218.472      3.36837  219.925      4.79714  217.059      4.73074  14.8246  0.161797  14.7277  0.160607  
1 1 1 28 21 7  o 9.69942  0.0844464 94.0977      1.63816  96.9676      2.37026  91.4733      2.26663  9.84517  0.120377  9.56225  0.11852   
1 1 1 28 21 8  o 15.739   0.122138  247.827      3.84467  244.838      5.31952  251.095      5.56302  15.6405  0.170056  15.8386  0.175616  
1 1 1 28 21 9  o 5.64147  0.0797193 31.8327      0.899468 30.7248      1.25587  32.9995      1.28886  5.54185  0.113307  5.74337  0.112204  
1 1 1 28 21 10 o 9.16834  0.091514  84.0836      1.67806  88.4637      2.72377  81.4041      2.13038  9.40198  0.144851  9.02017  0.11809   
1 1 1 28 21 11 o 5.45861  0.0795498 29.8041      0.868463 27.3195      1.23826  32.2096      1.21836  5.2253   0.118487  5.674    0.107364  
1 1 1 28 21 12 o 5.92743  0.0712839 35.1426      0.845061 36.5331      1.22544  33.8817      1.1669   6.04282  0.101396  5.81944  0.100259  
1 1 1 28 21 13 o 1.37847  0.202498  1.90418      0.558276 2.31519      0.800072 1.51416      0.779377 1.49469  0.278024  1.20578  0.318424  
1 1 1 28 21 14 o 4.33242  0.0856873 18.7777      0.742466 19.5429      1.08408  18.1017      1.01896  4.41884  0.122666  4.25286  0.119796  
1 1 1 28 21 15 o 5.98939  0.0809905 35.8878      0.970166 34.4488      1.35886  37.3841      1.38558  5.86675  0.11581   6.1117   0.113355  
1 1 1 28 21 16 o 5.66148  0.0764474 32.0661      0.865611 30.8741      1.23149  33.2301      1.21696  5.55391  0.110867  5.76217  0.105599  
1 1 1 28 21 17 f 2.48973  0.127794  6.20761      0.636344 6.96786      0.901828 5.45373      0.898036 2.63629  0.171041  2.33153  0.192585  
1 1 1 28 21 18 o 2.17679  0.151937  4.74989      0.661467 3.10575      0.894826 6.73069      0.982175 1.75637  0.254737  2.5895   0.189646  
1 1 1 28 21 19 o 2.8648   0.126979  8.2225       0.727542 8.50448      1.0299   7.94162      1.0279   2.91092  0.176903  2.8126   0.182731  
1 1 1 28 21 20 o 3.92483  0.0936511 15.4228      0.73513  15.019       1.04037  15.8253      1.03889  3.87067  0.134392  3.97347  0.130728  
1 1 1 28 21 21 o 4.29357  0.0916621 18.4583      0.787115 17.7409      1.10187  19.2059      1.12478  4.20644  0.130974  4.3769   0.128491  
1 1 1 28 21 22 o 4.04877  0.0951117 16.4188      0.770171 17.5357      1.1154   15.4011      1.06474  4.18094  0.133391  3.91799  0.135879  
1 1 1 28 21 23 o 3.10346  0.115421  9.6573       0.716412 9.43102      1.01319  9.88356      1.01313  3.06261  0.165413  3.13563  0.161551  
1 1 1 28 21 24 o 4.91738  0.0903713 24.2251      0.888779 25.3045      1.3104   23.3055      1.2095   5.02078  0.130497  4.81907  0.125491  
1 1 1 28 21 25 o 1.58257  0.221045  2.53723      0.69964  2.9638       0.97427  2.08302      1.00534  1.67724  0.301398  1.39345  0.35869   
1 1 1 28 21 26 o 3.7629   0.108325  14.2097      0.815235 14.8443      1.16428  13.5992      1.14188  3.83953  0.151618  3.67435  0.155385  
1 1 1 28 21 27 o 1.89409  0.196366  3.63579      0.743867 3.4572       1.04442  3.81965      1.05972  1.83341  0.284831  1.92899  0.274682  
1 1 1 28 21 28 o 4.13829  0.112208  17.2043      0.928697 18.6796      1.33157  15.8071      1.29591  4.30303  0.154725  3.95628  0.163778  
1 1 1 28 21 29 o 3.58324  0.125764  12.9214      0.901287 10.8984      1.25522  15.0745      1.29493  3.27687  0.191527  3.86053  0.167714  
1 1 1 28 21 30 o 1.54052  0.252644  2.4497       0.778404 3.6313       1.10674  1.293        1.09501  1.86465  0.296769  1.13312  0.393905  
1 1 1 28 21 31 f 3.83199  0.131717  14.8316      1.00948  16.1629      1.44239  13.5535      1.41329  3.98258  0.181088  3.64193  0.194031  
1 1 1 28 21 32 o 1.68253  0.272958  2.96693      0.918523 5.16692      1.25576  0.435556     1.34701  2.21606  0.28333   0.97959  0.409913  
1 1 1 28 21 33 o 2.0805   0.223544  4.49078      0.930167 3.40408      1.26902  5.75246      1.36739  1.7273   0.377736  2.32427  0.294154  
1 1 1 28 21 34 o 1.09514  0.367605  1.3081       0.95078  1.18767      1.32711  1.43509      1.36281  1.11156  0.425716  1.1739   0.435877  
1 1 1 28 21 35 o 1.71836  0.262087  3.15647      0.900721 2.87488      1.27233  3.43938      1.2753   1.5441   0.406426  1.70773  0.382897  
1 1 1 28 21 36 o 1.1117   0.359088  1.45017      0.908101 1.23304      1.29261  1.66176      1.27604  1.07955  0.418575  1.18072  0.423738  
1 1 1 28 21 37 o 1.36753  0.343581  2.26649      0.939292 4.14704      1.3267   0.376526     1.33002  1.83909  0.373693  0.90276  0.393209  
1 1 1 28 21 38 f 0.836929 0.344547  0.596685     0.929138 1.36006      1.33415  -0.122247    1.29473  1.05412  0.420673  0.797242 0.363604  
1 1 1 28 21 39 o 0.925348 0.368242  1.02162      1.01968  0.792878     1.45208  1.24414      1.43221  0.926431 0.407113  0.997576 0.420303  
1 1 1 28 21 40 o 1.46765  0.348412  2.94818      1.00875  4.26613      1.45821  1.73866      1.39694  1.64402  0.436196  1.04338  0.424811  
1 1 1 28 21 41 o 0.774712 0.343793  0.671224     1.06686  0.323362     1.54584  0.987614     1.47425  0.777005 0.368626  0.844685 0.386251  
1 1 1 28 21 42 o 0.559796 0.275748  -0.995411    1.07663  -1.15364     1.53904  -0.843781    1.50663  0.636267 0.315929  0.6511   0.320878  
1 1 1 28 22 0  o 5.85169  0.0974202 34.2749      1.13943  34.2749      1.13943  34.2749      1.13943  5.85308  0.0688485 ?        ?         
1 1 1 28 22 1  o 8.03981  0.0715993 64.6471      1.15129  65.5722      1.61328  63.687       1.64348  8.09662  0.0996267 7.97931  0.102984  
1 1 1 28 22 2  o 8.65379  0.0749148 74.8991      1.29659  72.8005      1.8653   76.8611      1.80358  8.53097  0.109325  8.76582  0.102876  
1 1 1 28 22 3  o 4.99347  0.0694215 24.9379      0.693309 25.2492      0.96243  24.6022      0.999599 5.02424  0.0957787 4.95938  0.100779  
1 1 1 28 22 4  o 5.67465  0.0763489 32.2068      0.866507 35.0326      1.27075  29.751       1.18463  5.9179   0.107365  5.45356  0.108611  
1 1 1 28 22 5  o 21.6205  0.164218  467.802      7.10094  472.084      10.1275  463.662      9.9591   21.7107  0.233237  21.5164  0.23143   
1 1 1 28 22 6  o 17.6452  0.134568  311.518      4.74895  316.087      6.70801  306.928      6.72408  17.7695  0.188751  17.5098  0.192009  
1 1 1 28 22 7  o 13.7082  0.116667  187.993      3.19857  185.166      4.46737  190.967      4.58174  13.6019  0.164219  13.8132  0.165846  
1 1 1 28 22 8  o 3.56576  0.0952626 12.7184      0.679367 11.6986      0.886582 14.169       1.05736  3.41937  0.129641  3.76296  0.140496  
1 1 1 28 22 9  o 7.14453  0.084971  51.0577      1.21416  46.6197      1.59907  57.0996      1.86578  6.82615  0.117128  7.55433  0.123491  
1 1 1 28 22 10 o 18.7917  0.145145  353.432      5.45504  351.729      7.88395  354.996      7.55571  18.7373  0.210381  18.8257  0.200676  
1 1 1 28 22 11 o 9.00111  0.0887598 81.0493      1.59787  81.3892      2.18876  80.6614      2.33809  9.01852  0.121348  8.97765  0.130217  
1 1 1 28 22 12 o 14.6393  0.11261   214.448      3.29706  213.147      4.81942  215.592      4.52043  14.5895  0.165167  14.6742  0.154026  
1 1 1 28 22 13 o 7.97989  0.0764228 63.6995      1.21969  63.8286      1.73967  63.5747      1.7105   7.98663  0.108911  7.9708   0.107298  
1 1 1 28 22 14 o 7.20267  0.0777956 51.898       1.12067  52.9901      1.64383  50.9496      1.53183  7.27651  0.112955  7.13531  0.107341  
1 1 1 28 22 15 o 19.6022  0.138209  384.765      5.41841  383.274      7.64282  386.271      7.68292  19.5508  0.195461  19.627   0.195724  
1 1 1 28 22 16 o 3.49351  0.0955993 12.2137      0.667954 12.6083      0.92724  11.7881      0.963035 3.54832  0.130659  3.43059  0.14036   
1 1 1 28 22 17 o 2.12627  0.148618  4.53105      0.632007 3.75107      0.906146 5.2699       0.881931 1.93149  0.234572  2.29141  0.192443  
1 1 1 28 22 18 o 9.26468  0.0880219 85.9083      1.63099  85.329       2.30954  86.4847      2.30361  9.22933  0.12512   9.29177  0.123959  
1 1 1 28 22 19 o 1.64294  0.20109   2.71313      0.660758 3.55996      0.95271  1.92824      0.917205 1.87911  0.253501  1.3524   0.33936   
1 1 1 28 22 20 o 5.26523  0.0823455 27.7498      0.867136 27.7148      1.23108  27.7843      1.22161  5.25925  0.117039  5.26594  0.115992  
1 1 1 28 22 21 o 2.09894  0.157774  4.42358      0.662315 5.55125      0.934955 3.28768      0.938365 2.3484   0.199062  1.8031   0.260209  
1 1 1 28 22 22 o 0.804195 0.29682   0.520838     0.630076 0.739658     0.889719 0.300693     0.89241  0.953694 0.352571  0.836812 0.339931  
1 1 1 28 22 23 o 1.5215   0.208398  2.33605      0.634156 2.45495      0.903363 2.22053      0.890439 1.52602  0.306776  1.44768  0.316264  
1 1 1 28 22 24 o 5.9545   0.0858185 35.5192      1.02201  36.2404      1.47298  34.8496      1.41921  6.00911  0.122562  5.89305  0.120414  
1 1 1 28 22 25 o 2.08648  0.173067  4.39035      0.7222   4.25035      1.01172  4.53581      1.03125  2.04411  0.247471  2.11212  0.244128  
1 1 1 28 22 26 o 2.27975  0.159046  5.23903      0.725172 5.06724      1.02018  5.41448      1.031    2.23242  0.228492  2.30849  0.223306  
1 1 1 28 22 27 o 5.92404  0.0961841 35.2111      1.1396   36.2637      1.61335  34.1631      1.60992  6.00231  0.134394  5.82479  0.138195  
1 1 1 28 22 28 o 1.82791  0.214539  3.40121      0.784318 4.16052      1.07987  2.55343      1.14105  2.01166  0.268402  1.52725  0.375659  
1 1 1 28 22 29 o 2.01233  0.198223  4.12112      0.797779 4.41612      1.13252  3.83055      1.12399  2.06675  0.273985  1.92043  0.29264   
1 1 1 28 22 30 o 4.44157  0.108675  19.8503      0.965376 19.8333      1.35708  19.8677      1.37356  4.42606  0.153306  4.42928  0.155055  
1 1 1 28 22 31 o 3.59824  0.138904  13.0963      0.999623 13.8522      1.40217  12.3151      1.42548  3.68217  0.1904    3.46574  0.205654  
1 1 1 28 22 32 o 3.22811  0.152723  10.5862      0.986013 11.6315      1.37262  9.47162      1.41732  3.36315  0.204068  3.02153  0.234537  
1 1 1 28 22 33 f 1.24438  0.355361  1.74904      0.928531 4.09891      1.35026  -0.359096    1.27892  1.905    0.367515  0.821189 0.369842  
1 1 1 28 22 34 o 2.43462  0.203644  6.14309      0.99159  6.78188      1.37357  5.44786      1.43296  2.52358  0.272146  2.23561  0.320486  
1 1 1 28 22 35 o 0.894235 0.346293  0.710866     0.884154 0.746323     1.27332  0.677854     1.22864  0.986079 0.404208  0.963192 0.396312  
1 1 1 28 22 36 o 0.771428 0.327161  0.249789     0.877157 0.0704525    1.22375  0.439282     1.25793  0.84032  0.371148  0.910929 0.389228  
1 1 1 28 22 37 o 2.54275  0.191436  6.83541      0.973548 6.86766      1.37104  6.80261      1.38264  2.47636  0.276827  2.46065  0.280951  
1 1 1 28 22 38 o 0.723017 0.319358  0.0902448    0.906248 0.823475     1.26793  -0.67555     1.29578  0.93767  0.395283  0.727451 0.342277  
1 1 1 28 22 39 o 0.688374 0.316582  -0.165963    1.00628  -0.914936    1.40393  0.625328     1.44305  0.705496 0.339378  0.886446 0.396256  
1 1 1 28 22 40 o 0.752185 0.335038  0.327892     1.02341  0.371079     1.48474  0.2888       1.4126   0.830243 0.38291   0.810895 0.373798  
1 1 1 28 22 41 o 0.911923 0.369407  1.43621      1.05014  2.83766      1.50774  0.115836     1.46348  1.10988  0.445499  0.737095 0.352607  
1 1 1 28 22 42 o 0.852944 0.370492  1.5813       1.17469  4.2556       1.8354   -0.274219    1.52883  1.08643  0.467376  0.658359 0.324234  
1 1 1 28 23 0  o 24.6858  0.263385  610.19       13.0004  610.19       13.0004  610.19       13.0004  24.6939  0.186157  ?        ?         
1 1 1 28 23 1  o 8.32103  0.0768023 69.251       1.27815  69.3375      1.7639   69.1553      1.85467  8.32559  0.105932  8.3145   0.111532  
1 1 1 28 23 2  o 5.21532  0.0681823 27.2032      0.711186 28.8593      0.985686 25.4049      1.02713  5.37144  0.0917525 5.03958  0.101906  
1 1 1 28 23 3  o 2.38456  0.096462  5.68763      0.460038 5.05798      0.641633 6.35373      0.659938 2.24833  0.142691  2.52003  0.130938  
1 1 1 28 23 4  o 6.6745   0.0752583 44.5564      1.00462  42.6215      1.37199  46.7931      1.47511  6.52744  0.105094  6.83936  0.10784   
1 1 1 28 23 5  o 29.6176  0.225496  878.568      13.3573  882.633      18.7218  874.354      19.0629  29.6638  0.315567  29.5222  0.322857  
1 1 1 28 23 6  f 10.8728  0.0991019 118.255      2.15503  119.262      3.07721  117.285      3.01896  10.9172  0.140934  10.8265  0.139425  
1 1 1 28 23 7  o 15.8061  0.136212  249.993      4.30597  251.069      6.11216  248.932      6.06722  15.835   0.192995  15.7675  0.192396  
1 1 1 28 23 8  o 6.32619  0.0870038 40.0321      1.10081  42.2736      1.59753  38.0055      1.51899  6.49996  0.122887  6.16309  0.123233  
1 1 1 28 23 9  o 10.5555  0.0942809 111.459      1.99036  111.438      2.83605  111.479      2.79399  10.5524  0.13438   10.5545  0.132361  
1 1 1 28 23 10 o 15.0245  0.118376  225.88       3.55706  227.066      5.11948  224.774      4.94591  15.0586  0.169985  14.983   0.165051  
1 1 1 28 23 11 o 25.3305  0.186989  642.768      9.47305  646.772      13.4747  638.855      13.3204  25.3866  0.265391  25.2312  0.263967  
1 1 1 28 23 12 o 5.37033  0.0724059 28.8489      0.777687 29.487       1.109    28.2315      1.09086  5.42862  0.102144  5.31178  0.102683  
1 1 1 28 23 13 o 5.92737  0.0724317 35.145       0.858658 36.5831      1.23269  33.7894      1.19676  6.04646  0.101935  5.81097  0.102974  
1 1 1 28 23 14 o 5.66676  0.0756289 32.1248      0.857142 30.9231      1.18937  33.4233      1.23636  5.55864  0.106984  5.779    0.10697   
1 1 1 28 23 15 o 5.19991  0.0762238 27.0514      0.792715 28.0029      1.15026  26.1908      1.09399  5.2893   0.108735  5.11538  0.106931  
1 1 1 28 23 16 o 3.44819  0.0940815 11.8999      0.648821 11.1827      0.915793 12.6226      0.91936  3.34112  0.137049  3.55005  0.129486  
1 1 1 28 23 17 o 6.47614  0.0782345 41.9681      1.01332  43.0348      1.44867  40.9461      1.41791  6.5558   0.110488  6.3947   0.110866  
1 1 1 28 23 18 o 3.25009  0.104304  10.5769      0.677996 11.073       0.939503 10.0376      0.979404 3.32363  0.141337  3.16366  0.15479   
1 1 1 28 23 19 o 1.18844  0.270579  1.48295      0.628919 1.62859      0.90951  1.34951      0.870615 1.2479   0.350218  1.1482   0.348596  
1 1 1 28 23 20 o 2.90527  0.113869  8.45741      0.661642 8.87454      0.934717 8.03851      0.936691 2.9733   0.157185  2.8292   0.16554   
1 1 1 28 23 21 o 4.79758  0.0872636 23.048       0.837309 21.7166      1.13639  24.6293      1.23845  4.6539   0.12209   4.95587  0.124947  
1 1 1 28 23 22 o 2.43782  0.134231  5.96449      0.654463 6.1251       0.941298 5.8142       0.910567 2.46592  0.190861  2.40265  0.189492  
1 1 1 28 23 23 o 0.65494  0.278486  0.0153623    0.638422 0.0433153    0.92496  -0.0100705   0.882281 0.789682 0.335475  0.760752 0.325545  
1 1 1 28 23 24 o 4.14626  0.0972994 17.2342      0.806857 16.4908      1.13836  17.9847      1.14379  4.05046  0.140522  4.23076  0.135176  
1 1 1 28 23 25 o 3.39314  0.114393  11.5582      0.7763   12.8221      1.11197  10.3565      1.08426  3.56799  0.155825  3.2046   0.169173  
1 1 1 28 23 26 o 2.70589  0.137551  7.36881      0.744398 6.69811      1.03899  8.07622      1.06705  2.57015  0.202126  2.82466  0.188881  
1 1 1 28 23 27 o 2.51705  0.162838  6.39553      0.819739 6.20445      1.15738  6.58788      1.16121  2.46648  0.234621  2.54286  0.228326  
1 1 1 28 23 28 f 3.80022  0.113887  14.5165      0.865593 13.7963      1.15087  15.4546      1.31345  3.69637  0.155675  3.90912  0.167998  
1 1 1 28 23 29 o 2.48578  0.163674  6.26171      0.813717 6.09045      1.16456  6.4251       1.13746  2.43358  0.239269  2.50294  0.227224  
1 1 1 28 23 30 f 3.54565  0.128341  12.6891      0.910105 10.3074      1.2469   15.4046      1.33142  3.17583  0.19631   3.89257  0.171021  
1 1 1 28 23 31 o 4.11905  0.130291  17.145       1.07335  17.2603      1.50085  17.0244      1.53565  4.11192  0.182501  4.0811   0.188141  
1 1 1 28 23 32 o 0.86852  0.342042  0.558027     0.87131  -0.64844     1.22817  1.78052      1.2363   0.766028 0.351225  1.26154  0.419183  
1 1 1 28 23 33 o 0.837125 0.347306  0.331369     0.954217 -1.56841     1.34     2.28582      1.35914  0.700135 0.33552   1.39702  0.437889  
1 1 1 28 23 34 o 1.49975  0.318072  2.52886      0.92507  2.93756      1.32769  2.14325      1.28964  1.56649  0.416487  1.34365  0.427317  
1 1 1 28 23 35 o 1.43113  0.321998  2.36537      0.899315 2.64259      1.31565  2.12225      1.2321   1.45141  0.42579   1.31085  0.417756  
1 1 1 28 23 36 o 0.893277 0.342371  0.773138     0.858866 1.34128      1.19239  0.160557     1.23814  1.08553  0.406786  0.8544   0.375691  
1 1 1 28 23 37 o 2.21411  0.216468  5.28799      0.958568 4.17694      1.35121  6.41368      1.36008  1.8103   0.384766  2.37307  0.286565  
1 1 1 28 23 38 o 0.952803 0.355418  1.08214      0.9082   2.33861      1.29869  -0.120453    1.27055  1.27538  0.42963   0.784871 0.358764  
1 1 1 28 23 39 o 0.688284 0.317941  -0.163895    1.02893  0.31932      1.50462  -0.588377    1.41022  0.843508 0.387587  0.729455 0.348275  
1 1 1 28 23 40 o 1.33393  0.375065  2.72173      1.04219  4.14668      1.49247  1.36566      1.45595  1.52105  0.455345  0.934612 0.409198  
1 1 1 28 23 41 o 0.706436 0.324419  0.291972     1.0525   0.198387     1.58092  0.366472     1.41054  0.758539 0.363732  0.758036 0.356797  
1 1 1 28 24 0  o 7.79941  0.105816  60.8747      1.64992  60.8747      1.64992  60.8747      1.64992  7.80082  0.0747943 ?        ?         
1 1 1 28 24 1  f 15.7052  0.119027  246.761      3.7387   245.792      5.25776  247.753      5.31739  15.671   0.167754  15.7333  0.168986  
1 1 1 28 24 2  o 10.333   0.0840345 106.794      1.73666  105.4        2.36775  108.418      2.55493  10.2643  0.115339  10.41    0.122716  
1 1 1 28 24 3  o 20.4452  0.146415  418.286      5.98695  421.61       8.42773  414.9        8.50647  20.5195  0.205359  20.3551  0.208952  
1 1 1 28 24 4  o 7.24516  0.0800499 52.5032      1.15995  51.0477      1.73881  53.6702      1.55703  7.14305  0.121714  7.32466  0.106287  
1 1 1 28 24 5  o 8.78503  0.0842507 77.1955      1.48029  76.7128      2.024    77.7506      2.17057  8.75658  0.11557   8.81534  0.123113  
1 1 1 28 24 6  o 14.4332  0.120625  208.427      3.482    210.378      4.89016  206.421      4.95915  14.4969  0.168663  14.3595  0.172678  
1 1 1 28 24 7  o 18.9876  0.164994  360.916      6.26568  360.526      8.85066  361.307      8.8714   18.967   0.233318  18.9874  0.233612  
1 1 1 28 24 8  o 13.4265  0.124178  180.392      3.33454  180.133      4.86822  180.622      4.57677  13.4116  0.181493  13.4309  0.170382  
1 1 1 28 24 9  o 19.0297  0.160636  362.567      6.1137   358.753      8.57388  366.513      8.72013  18.9178  0.226608  19.121   0.228024  
1 1 1 28 24 10 o 2.3205   0.13226   5.38953      0.613819 5.5314       0.808405 5.19639      0.943257 2.35012  0.171992  2.27707  0.207121  
1 1 1 28 24 11 o 9.34865  0.0866441 87.4337      1.62001  89.8771      2.30109  85.0326      2.28112  9.47648  0.121411  9.2174   0.12374   
1 1 1 28 24 12 o 5.87393  0.0737245 34.5144      0.866105 35.6961      1.28708  33.5365      1.17087  5.9725   0.10775   5.78926  0.101124  
1 1 1 28 24 13 o 1.65778  0.161518  2.75307      0.535523 1.64801      0.774591 3.7649       0.7412   1.25481  0.310045  1.93792  0.191236  
1 1 1 28 24 14 o 5.33762  0.0756558 28.5026      0.807645 29.2091      1.19811  27.9142      1.09342  5.40199  0.110895  5.28121  0.10352   
1 1 1 28 24 15 o 5.76625  0.0733913 33.2656      0.846385 33.333       1.1964   33.1981      1.19754  5.7707   0.103662  5.759    0.103971  
1 1 1 28 24 16 o 7.52199  0.0762157 56.6149      1.14659  56.4453      1.59518  56.7962      1.64921  7.50859  0.106224  7.53162  0.109486  
1 1 1 28 24 17 o 6.73598  0.0817432 45.4081      1.10124  45.5404      1.58493  45.2847      1.53124  6.74301  0.117524  6.72438  0.113857  
1 1 1 28 24 18 o 8.67755  0.0822699 75.367       1.4278   73.461       1.99359  77.3743      2.04586  8.56329  0.116403  8.78841  0.116395  
1 1 1 28 24 19 o 4.62852  0.0855347 21.4462      0.791797 21.1642      1.14659  21.7032      1.09475  4.59516  0.124761  4.6539   0.117616  
1 1 1 28 24 20 o 8.03329  0.0857706 64.6132      1.37804  62.8792      1.90691  66.5086      1.99367  7.91997  0.120386  8.14501  0.122386  
1 1 1 28 24 21 o 3.38881  0.106033  11.5087      0.718651 12.4931      1.01192  10.5069      1.02079  3.52763  0.143427  3.23375  0.157834  
1 1 1 28 24 22 o 1.40546  0.222493  1.99584      0.625407 1.97681      0.900309 2.01359      0.869419 1.36358  0.332629  1.37751  0.321188  
1 1 1 28 24 23 o 1.53309  0.209666  2.3752       0.642872 2.77178      0.920268 1.9972       0.898441 1.6241   0.294125  1.36849  0.331326  
1 1 1 28 24 24 o 2.13161  0.161421  4.57706      0.688171 4.21945      0.974732 4.93246      0.971717 2.03793  0.239147  2.20603  0.220241  
1 1 1 28 24 25 o 1.62545  0.210747  2.67889      0.685117 1.71163      0.986688 3.57943      0.952044 1.26664  0.367825  1.87291  0.254161  
1 1 1 28 24 26 o 1.08672  0.319546  1.24795      0.740164 0.597498     1.05113  1.88767      1.04242  0.95197  0.375436  1.32153  0.376248  
1 1 1 28 24 27 o 5.81122  0.0936993 33.8827      1.08902  33.8355      1.49574  33.936       1.58866  5.7985   0.128976  5.80481  0.13684   
1 1 1 28 24 28 o 3.36144  0.126565  11.3754      0.850877 10.8867      1.13235  12.0092      1.28957  3.27882  0.172676  3.43988  0.187443  
1 1 1 28 24 29 o 1.30762  0.299854  1.85363      0.767888 1.48725      1.08907  2.21585      1.08288  1.188    0.393431  1.41294  0.376349  
1 1 1 28 24 30 o 3.1383   0.14342   9.96716      0.90019  8.94643      1.25203  11.0595      1.29519  2.95251  0.212028  3.28851  0.196927  
1 1 1 28 24 31 f 3.5539   0.139451  12.7902      0.991188 12.1128      1.44957  13.385       1.35837  3.43056  0.211274  3.61702  0.187775  
1 1 1 28 24 32 o 2.89274  0.165671  8.54052      0.958485 8.29867      1.35078  8.78579      1.36028  2.82068  0.239441  2.90492  0.234134  
1 1 1 28 24 33 o 1.79208  0.265805  3.40157      0.952687 5.46544      1.33864  1.28343      1.35613  2.25634  0.296641  1.13778  0.431915  
1 1 1 28 24 34 o 0.738588 0.321955  0.0128532    0.893134 -0.163132    1.26797  0.186152     1.25825  0.832959 0.371918  0.886023 0.384131  
1 1 1 28 24 35 o 2.30371  0.199687  5.56597      0.920045 4.62651      1.28495  6.55431      1.31796  2.03066  0.316387  2.45463  0.268464  
1 1 1 28 24 36 o 1.50077  0.303391  2.61072      0.878787 3.31727      1.25481  1.9306       1.23112  1.6268   0.390117  1.22975  0.418303  
1 1 1 28 24 37 o 1.62819  0.297442  3.13128      0.932608 3.69882      1.32267  2.57016      1.31517  1.66998  0.400563  1.35111  0.431713  
1 1 1 28 24 38 o 0.881345 0.35056   0.85741      0.923685 0.291512     1.34454  1.36319      1.27112  0.84349  0.379586  1.02158  0.409468  
1 1 1 28 24 39 o 0.923651 0.36621   1.13865      1.00503  0.494401     1.42969  1.76805      1.41312  0.848554 0.385681  1.05123  0.427514  
1 1 1 28 24 40 f 0.669112 0.313724  -0.0825149   1.06241  -0.351081    1.50113  0.187021     1.50383  0.71843  0.3469    0.767796 0.363939  
1 1 1 28 24 41 o 1.0364   0.379611  1.93957      1.02869  2.32317      1.48287  1.58371      1.42824  1.01192  0.427073  0.901579 0.399227  
1 1 1 28 25 0  o 12.5228  0.138355  156.928      3.46424  156.928      3.46424  156.928      3.46424  12.5249  0.0978018 ?        ?         
1 1 1 28 25 1  o 16.1303  0.122235  260.319      3.94338  262.734      5.61867  257.975      5.5358   16.2008  0.173408  16.0535  0.172418  
1 1 1 28 25 2  o 4.75097  0.0736467 22.576       0.699786 20.8563      0.925915 24.8667      1.06866  4.56605  0.101391  4.98566  0.107173  
1 1 1 28 25 3  o 12.2707  0.0998464 150.625      2.45038  155.841      3.55031  145.879      3.38622  12.4791  0.14225   12.0738  0.14023   
1 1 1 28 25 4  o 15.919   0.12284   253.558      3.91099  247.92       5.47648  259.426      5.58712  15.7365  0.174005  16.0976  0.173539  
1 1 1 28 25 5  o 4.08523  0.101165  16.6958      0.826563 16.9556      1.14522  16.4134      1.19419  4.11613  0.139113  4.04959  0.147446  
1 1 1 28 25 6  o 5.26469  0.0931071 27.7271      0.98036  26.8161      1.39061  28.6273      1.3823   5.17642  0.134321  5.34853  0.129223  
1 1 1 28 25 7  o 6.21739  0.0960729 38.6721      1.19465  36.9521      1.66285  40.5068      1.71744  6.07622  0.136833  6.36184  0.13498   
1 1 1 28 25 8  o 12.3921  0.109924  153.653      2.72436  153.23       3.85852  154.073      3.84716  12.3713  0.155946  12.4054  0.15506   
1 1 1 28 25 9  o 4.16999  0.0989394 17.3977      0.825152 17.9849      1.1882   16.8507      1.14679  4.23869  0.140161  4.10288  0.139754  
1 1 1 28 25 10 o 5.16042  0.0963079 26.6438      0.993978 29.7857      1.41383  23.5732      1.3977   5.45506  0.129589  4.8524   0.144022  
1 1 1 28 25 11 o 5.5708   0.0801388 31.046       0.892875 32.3758      1.23077  29.5685      1.29729  5.68794  0.108191  5.43532  0.119339  
1 1 1 28 25 12 o 7.03246  0.0752101 49.4743      1.05782  50.2235      1.49851  48.7301      1.49348  7.08417  0.105765  6.97798  0.107014  
1 1 1 28 25 13 o 4.4431   0.0752314 19.7495      0.668521 21.312       0.96101  18.2843      0.930588 4.6146   0.104127  4.2741   0.108864  
1 1 1 28 25 14 o 14.4334  0.110586  208.543      3.19227  210.351      4.55659  206.801      4.47365  14.4879  0.157255  14.3654  0.155709  
1 1 1 28 25 15 o 8.15057  0.0788095 66.4743      1.28469  65.5845      1.80906  67.3797      1.82468  8.09327  0.111763  8.20333  0.111216  
1 1 1 28 25 16 o 2.76012  0.109369  7.62846      0.603743 7.87578      0.836794 7.35992      0.871932 2.8029   0.149273  2.709    0.160932  
1 1 1 28 25 17 o 2.48892  0.122314  6.20635      0.608859 5.90162      0.852574 6.52353      0.869797 2.42461  0.175817  2.54945  0.170585  
1 1 1 28 25 18 o 4.04455  0.0869394 16.3759      0.703261 17.1075      1.00002  15.6601      0.989196 4.13181  0.121014  3.95288  0.125123  
1 1 1 28 25 19 o 4.46605  0.085134  19.9684      0.760424 19.2841      1.06928  20.6687      1.08164  4.38616  0.121892  4.54114  0.119093  
1 1 1 28 25 20 o 2.94047  0.115497  8.66724      0.679228 8.1318       0.964836 9.19333      0.956367 2.8442   0.169615  3.02519  0.158067  
1 1 1 28 25 21 o 7.01727  0.0819917 49.3091      1.15072  49.2211      1.62566  49.3976      1.62907  7.00628  0.116014  7.01882  0.11605   
1 1 1 28 25 22 o 0.631987 0.272313  -0.0490698   0.624985 -0.534194    0.881968 0.440244     0.885768 0.662796 0.301697  0.868124 0.343921  
1 1 1 28 25 23 o 3.86068  0.100309  14.9442      0.774524 15.298       1.12603  14.6265      1.06703  3.90068  0.144338  3.81474  0.139856  
1 1 1 28 25 24 o 2.77384  0.129759  7.73261      0.719865 7.89229      1.0173   7.57246      1.01879  2.79572  0.181938  2.73788  0.186055  
1 1 1 28 25 25 o 0.973466 0.307202  0.970698     0.667479 0.714038     0.938891 1.23297      0.949106 0.951416 0.359904  1.10654  0.367281  
1 1 1 28 25 26 o 1.16857  0.314999  1.46241      0.752978 0.622571     1.05113  2.34764      1.07916  0.95794  0.376182  1.4686   0.367855  
1 1 1 28 25 27 o 0.77423  0.310444  0.3288       0.731049 1.04935      1.01054  -0.462324    1.05887  1.05809  0.37735   0.744243 0.335782  
1 1 1 28 25 28 o 2.29324  0.175585  5.33782      0.805314 5.30933      1.11001  5.36949      1.17014  2.27165  0.244318  2.28122  0.256472  
1 1 1 28 25 29 o 0.601774 0.276519  -0.514398    0.765904 -0.327397    1.10015  -0.690274    1.06692  0.774967 0.346217  0.707637 0.325668  
1 1 1 28 25 30 o 2.60234  0.163568  6.88176      0.85132  7.81229      1.20116  5.94252      1.20676  2.75554  0.217953  2.3919   0.25226   
1 1 1 28 25 31 o 2.45602  0.185923  6.17679      0.913261 3.76699      1.28094  8.66805      1.30242  1.83436  0.362042  2.89375  0.22504   
1 1 1 28 25 32 o 1.38599  0.344641  2.17057      0.952491 2.81427      1.33898  1.51115      1.35522  1.54746  0.421367  1.19887  0.436046  
1 1 1 28 25 33 o 1.39035  0.33792   2.20203      0.931789 3.00671      1.32105  1.40534      1.31447  1.59004  0.412115  1.15656  0.428348  
1 1 1 28 25 34 o 0.976395 0.358466  0.980069     0.917744 0.317068     1.32684  1.58819      1.27074  0.919043 0.396397  1.17598  0.422776  
1 1 1 28 25 35 o 0.641203 0.29453   -0.43315     0.868048 -1.00853     1.20704  0.183193     1.24926  0.691108 0.326863  0.865631 0.379019  
1 1 1 28 25 36 o 0.883844 0.347715  0.750493     0.899581 -0.71814     1.29913  2.10335      1.24688  0.739607 0.346802  1.2636   0.420972  
1 1 1 28 25 37 o 1.41134  0.328266  2.46229      0.909928 2.05544      1.27116  2.88984      1.30311  1.21404  0.424178  1.43797  0.424365  
1 1 1 28 25 38 o 0.898486 0.365312  0.935312     1.03158  1.91854      1.45024  -0.07171     1.46768  1.11346  0.440397  0.807362 0.375533  
1 1 1 28 25 39 o 1.0027   0.375198  1.4731       1.01366  2.59105      1.45896  0.429822     1.4094   1.20703  0.45043   0.831545 0.379279  
1 1 1 28 25 40 o 0.946979 0.372039  1.53951      1.02852  0.642851     1.42279  2.52093      1.48853  0.794315 0.369573  1.06844  0.437345  
1 1 1 28 25 41 o 0.627692 0.299661  -0.130945    1.04337  0.531249     1.4684   -0.806188    1.4828   0.741933 0.354508  0.639677 0.315985  
1 1 1 28 26 0  o 2.86299  0.132573  8.25211      0.7554   8.25211      0.7554   8.25211      0.7554   2.86785  0.0933509 ?        ?         
1 1 1 28 26 1  o 7.53207  0.0686621 56.7426      1.03434  57.1463      1.48036  56.3576      1.44579  7.55807  0.0979326 7.50578  0.0963118 
1 1 1 28 26 2  o 8.26875  0.0715422 68.3864      1.18313  68.0071      1.65317  68.7846      1.69397  8.24496  0.100253  8.29189  0.102147  
1 1 1 28 26 3  o 9.90425  0.0795168 98.12        1.57511  98.2116      2.1973   98.0233      2.25906  9.90761  0.11089   9.89796  0.114118  
1 1 1 28 26 4  o 15.0659  0.120455  227.124      3.62952  225.835      4.91298  228.673      5.38531  15.0189  0.16356   15.1113  0.178188  
1 1 1 28 26 5  o 2.26007  0.175479  5.11504      0.793187 4.43287      1.13191  5.77322      1.11183  2.10195  0.269253  2.3998   0.23165   
1 1 1 28 26 6  o 7.0191   0.0960369 49.2894      1.34819  48.4138      1.93159  50.1212      1.8826   6.95479  0.138867  7.07664  0.133015  
1 1 1 28 26 7  o 1.89243  0.193361  3.58803      0.731844 3.62865      1.01858  3.54468      1.0522   1.90147  0.267841  1.87903  0.279986  
1 1 1 28 26 8  o 4.13684  0.0928453 17.1214      0.768172 18.1034      1.0977   16.179       1.07536  4.25291  0.129053  4.02039  0.133738  
1 1 1 28 26 9  o 15.0243  0.120597  225.919      3.62378  224.523      5.11045  227.33       5.13927  14.9716  0.170672  15.0649  0.170571  
1 1 1 28 26 10 o 3.28533  0.115882  10.8024      0.761424 9.58669      1.04102  12.201       1.11659  3.09351  0.168258  3.49021  0.15996   
1 1 1 28 26 11 o 13.3851  0.114914  179.321      3.07628  180.091      4.33193  178.537      4.36936  13.4079  0.161545  13.3496  0.163651  
1 1 1 28 26 12 f 6.33876  0.0774361 40.1978      0.981698 38.8429      1.35277  41.7052      1.42685  6.22963  0.108575  6.45498  0.110523  
1 1 1 28 26 13 o 6.7249   0.0728511 45.2447      0.979832 44.3863      1.38127  46.1141      1.39015  6.65924  0.103711  6.78769  0.102403  
1 1 1 28 26 14 o 4.47584  0.078249  20.0455      0.70046  20.4617      1.0005   19.6454      0.980994 4.5207   0.110657  4.4296   0.110732  
1 1 1 28 26 15 o 7.8686   0.0756718 61.9537      1.19086  61.659       1.68818  62.2456      1.68011  7.84735  0.107564  7.88469  0.106543  
1 1 1 28 26 16 o 4.0031   0.0821736 16.038       0.657899 15.5837      0.932595 16.488       0.92824  3.94427  0.118222  4.05731  0.114391  
1 1 1 28 26 17 o 4.22874  0.0812901 17.8985      0.687509 17.9494      0.967554 17.8466      0.977085 4.23286  0.114291  4.22062  0.115751  
1 1 1 28 26 18 o 4.80241  0.0802966 23.0856      0.771234 22.9028      1.11349  23.2542      1.06923  4.78072  0.116456  4.81772  0.110969  
1 1 1 28 26 19 o 2.48245  0.124591  6.17908      0.618579 5.31819      0.869375 7.06181      0.880334 2.29898  0.189079  2.65105  0.166035  
1 1 1 28 26 20 o 5.40909  0.0853163 29.2998      0.922966 29.4537      1.32518  29.1548      1.28624  5.41924  0.122266  5.39205  0.119272  
1 1 1 28 26 21 o 3.42685  0.102387  11.7694      0.701731 12.5465      1.02149  11.0749      0.965656 3.53435  0.144509  3.32052  0.145408  
1 1 1 28 26 22 o 1.24302  0.263379  1.62958      0.634788 1.51575      0.896891 1.74384      0.898562 1.20121  0.35129   1.28011  0.343674  
1 1 1 28 26 23 o 2.22322  0.147783  4.97314      0.657108 5.18475      0.941057 4.77179      0.917957 2.26337  0.207889  2.17091  0.211422  
1 1 1 28 26 24 o 1.91953  0.178669  3.72142      0.685921 4.42943      0.962658 2.99128      0.977591 2.0872   0.23061   1.68168  0.301595  
1 1 1 28 26 25 o 3.15607  0.123776  10.016       0.78129  9.85167      1.08598  10.1922      1.12487  3.12163  0.173944  3.17448  0.177174  
1 1 1 28 26 26 o 2.51356  0.150398  6.37141      0.756069 7.23836      1.07209  5.5136       1.06642  2.67027  0.200746  2.32523  0.229315  
1 1 1 28 26 27 o 5.01917  0.0969897 25.2879      0.973617 25.5987      1.36308  24.9643      1.39116  5.04068  0.135208  4.97656  0.139771  
1 1 1 28 26 28 o 0.623916 0.28361   -0.412406    0.773546 -0.417049    1.06644  -0.407252    1.12372  0.749666 0.337672  0.773173 0.347532  
1 1 1 28 26 29 o 1.98969  0.197863  4.0481       0.787373 4.3043       1.113    3.79142      1.11403  2.03111  0.273987  1.90058  0.293076  
1 1 1 28 26 30 o 1.856    0.223076  3.55313      0.828057 3.36924      1.22151  3.7095       1.12637  1.73657  0.363436  1.87269  0.300736  
1 1 1 28 26 31 o 1.45939  0.310348  2.35663      0.878679 2.92942      1.21729  1.73351      1.26964  1.59717  0.385017  1.24954  0.424798  
1 1 1 28 26 32 o 2.16076  0.220541  4.84668      0.953074 4.34092      1.37154  5.31896      1.32535  1.96153  0.363263  2.23045  0.297104  
1 1 1 28 26 33 o 1.85062  0.240043  3.60528      0.888458 3.27655      1.24228  3.94948      1.27116  1.67634  0.379334  1.86122  0.354245  
1 1 1 28 26 34 o 1.84617  0.255961  3.66905      0.945093 5.99509      1.39688  1.70544      1.28344  2.32923  0.299858  1.19761  0.425446  
1 1 1 28 26 35 o 1.03271  0.358148  1.22462      0.904776 2.37881      1.28823  0.101034     1.27103  1.35868  0.426401  0.853234 0.377371  
1 1 1 28 26 36 o 0.683163 0.308707  -0.164827    0.898467 0.190564     1.27687  -0.513345    1.26447  0.846723 0.375884  0.747561 0.348045  
1 1 1 28 26 37 o 1.28405  0.343874  2.10072      0.901007 1.07424      1.29226  3.07179      1.2569   0.983749 0.405889  1.49382  0.408911  
1 1 1 28 26 38 o 0.724101 0.326097  0.120797     0.994116 -1.20345     1.4545   1.2817       1.36185  0.687501 0.334092  0.974521 0.410184  
1 1 1 28 26 39 o 1.058    0.372062  1.72248      0.979328 1.43344      1.37533  2.01978      1.39484  0.959581 0.408405  1.06796  0.428569  
1 1 1 28 26 40 o 0.756304 0.337249  0.642969     1.03955  1.1041       1.41869  0.108298     1.52764  0.841425 0.382909  0.742295 0.356332  
1 1 1 28 26 41 o 0.684063 0.315364  0.517589     1.0058   0.272822     1.4544   0.741953     1.39246  0.687648 0.334137  0.72575  0.346404  
1 1 1 28 27 0  o 19.9387  0.196007  398.012      7.81456  398.012      7.81456  398.012      7.81456  19.9444  0.138543  ?        ?         
1 1 1 28 27 1  o 6.0381   0.0653513 36.4657      0.789195 37.074       1.12299  35.8721      1.10932  6.08765  0.0922346 5.98815  0.0926264 
1 1 1 28 27 2  o 12.3377  0.0926905 152.28       2.28718  150.378      3.09428  154.571      3.39583  12.2583  0.126211  12.4273  0.136628  
1 1 1 28 27 3  o 9.04158  0.0780043 81.7737      1.41057  81.2372      1.97127  82.3366      2.01928  9.01061  0.109386  9.07129  0.111301  
1 1 1 28 27 4  o 4.6035   0.0854249 21.1997      0.786507 21.1352      1.08222  21.2719      1.14501  4.59575  0.117742  4.61042  0.124176  
1 1 1 28 27 5  o 2.77094  0.141179  7.68586      0.7824   7.21258      1.1129   8.14837      1.10017  2.68271  0.20742   2.85186  0.192887  
1 1 1 28 27 6  o 4.11198  0.101529  16.9177      0.83497  16.9218      1.17449  16.9135      1.18727  4.11139  0.142833  4.11034  0.144424  
1 1 1 28 27 7  o 4.04006  0.0978211 16.3308      0.790407 16.622       1.12118  16.0432      1.11446  4.07486  0.137572  4.00323  0.139195  
1 1 1 28 27 8  o 8.5673   0.0882807 73.4324      1.51265  73.1938      2.13453  73.6731      2.14393  8.55138  0.124806  8.57933  0.124947  
1 1 1 28 27 9  o 1.32591  0.278526  1.83371      0.715141 1.8885       0.999361 1.7762       1.02381  1.34591  0.362934  1.31045  0.372804  
1 1 1 28 27 10 o 3.50386  0.109819  12.2872      0.769581 11.855       1.08569  12.7236      1.09104  3.44013  0.157797  3.56412  0.153058  
1 1 1 28 27 11 o 0.846727 0.310492  0.575725     0.688356 0.739911     0.984884 0.418926     0.962468 0.988221 0.369823  0.897725 0.357602  
1 1 1 28 27 12 o 2.52961  0.117976  6.40651      0.596866 7.4432       0.796508 5.07885      0.901379 2.72573  0.146109  2.24977  0.200327  
1 1 1 28 27 13 o 1.1094   0.231952  1.28395      0.497965 1.53913      0.709065 1.03561      0.699489 1.21134  0.295009  1.01387  0.313411  
1 1 1 28 27 14 o 9.46753  0.0896181 89.7122      1.69692  89.4872      2.42182  89.9293      2.37839  9.45137  0.12812   9.47503  0.125508  
1 1 1 28 27 15 o 1.39623  0.187752  1.95759      0.524291 1.82622      0.745129 2.08641      0.737843 1.31915  0.290276  1.41537  0.27033   
1 1 1 28 27 16 o 3.7934   0.0834564 14.4034      0.633167 14.8462      0.888605 13.9467      0.902422 3.84962  0.115415  3.73086  0.12094   
1 1 1 28 27 17 o 4.68251  0.0802374 21.9467      0.751425 22.1735      1.074    21.7293      1.0517   4.70432  0.114151  4.65706  0.112915  
1 1 1 28 27 18 o 4.31546  0.0854044 18.6457      0.737119 19.3593      1.06823  17.997       1.01844  4.39451  0.121542  4.23719  0.120178  
1 1 1 28 27 19 o 5.40763  0.0772746 29.2751      0.835745 28.5161      1.15653  30.1046      1.20907  5.33418  0.108407  5.48053  0.110306  
1 1 1 28 27 20 o 1.73939  0.180439  3.04573      0.627709 3.73363      0.892155 2.37136      0.88334  1.92171  0.232126  1.49965  0.305113  
1 1 1 28 27 21 o 0.722452 0.28266   0.325165     0.592216 1.21685      0.849891 -0.516425    0.825673 1.09412  0.346787  0.638894 0.29111   
1 1 1 28 27 22 o 4.2688   0.097792  18.2691      0.834909 18.7993      1.18364  17.7441      1.17786  4.32512  0.136833  4.20146  0.140173  
1 1 1 28 27 23 o 2.06886  0.161483  4.31341      0.66817  5.79796      0.961694 2.92801      0.929022 2.39363  0.200886  1.69236  0.274475  
1 1 1 28 27 24 o 2.84795  0.124939  8.15322      0.711639 7.61789      0.988463 8.72926      1.02537  2.74503  0.180046  2.93943  0.174417  
1 1 1 28 27 25 o 0.794169 0.309286  0.424711     0.707354 0.669254     1.01809  0.196497     0.983509 0.959896 0.371622  0.838394 0.350509  
1 1 1 28 27 26 o 3.59391  0.114608  12.9834      0.823785 12.1062      1.13845  13.9476      1.19352  3.46086  0.164475  3.71567  0.160606  
1 1 1 28 27 27 o 1.02424  0.318635  1.1023       0.721462 0.994812     1.00938  1.21456      1.03158  1.03773  0.376429  1.10405  0.382468  
1 1 1 28 27 28 o 4.18176  0.115505  17.611       0.966026 19.4923      1.37069  15.7544      1.36169  4.38658  0.156237  3.93796  0.172892  
1 1 1 28 27 29 o 3.74487  0.120107  14.1444      0.899573 13.8603      1.25652  14.4431      1.28846  3.69121  0.170205  3.76772  0.170986  
1 1 1 28 27 30 o 2.13116  0.199408  4.66278      0.849939 4.3759       1.20144  4.95019      1.20255  2.03319  0.295457  2.16973  0.277121  
1 1 1 28 27 31 o 1.72379  0.261351  3.12488      0.901032 4.70811      1.28203  1.57951      1.26661  2.09698  0.305686  1.20676  0.423249  
1 1 1 28 27 32 o 2.06142  0.221297  4.42957      0.91237  5.00217      1.28178  3.84151      1.29896  2.15591  0.297271  1.83238  0.3674    
1 1 1 28 27 33 o 1.81161  0.253339  3.49725      0.9179   2.0801       1.25632  5.11999      1.34436  1.31407  0.422151  2.15896  0.311346  
1 1 1 28 27 34 o 3.50624  0.150652  12.6366      1.05644  12.2595      1.55458  12.9602      1.44005  3.39398  0.229021  3.51068  0.205096  
1 1 1 28 27 35 o 2.63881  0.181148  7.29301      0.95603  7.30938      1.39421  7.27848      1.31346  2.57093  0.271149  2.58021  0.254526  
1 1 1 28 27 36 o 0.621085 0.290769  -0.541113    0.900162 0.123264     1.32473  -1.11101     1.22693  0.838329 0.377048  0.665635 0.319485  
1 1 1 28 27 37 o 0.60991  0.285725  -0.487564    0.874466 -0.205723    1.23677  -0.769323    1.23659  0.755411 0.348807  0.689739 0.328396  
1 1 1 28 27 38 o 0.66881  0.310976  -0.235072    1.0053   1.53593      1.48808  -1.72194     1.36349  1.00835  0.426803  0.622279 0.306469  
1 1 1 28 27 39 o 0.854368 0.353947  1.0559       0.988819 1.47148      1.35267  0.578938     1.44911  0.928507 0.400354  0.807612 0.374685  
1 1 1 28 27 40 o 0.648133 0.3038    -0.0514328   0.99364  -0.70875     1.38167  0.652683     1.43001  0.655789 0.320147  0.789527 0.368566  
1 1 1 28 28 0  f 4.88037  0.144167  23.8928      1.4044   23.8928      1.4044   23.8928      1.4044   4.88421  0.10176   ?        ?         
1 1 1 28 28 1  o 0.677131 0.371055  0.650513     0.709091 0.650513     0.709091 0.650513     0.709091 0.662677 0.323478  ?        ?         
1 1 1 28 28 2  o 9.59525  0.121925  92.1486      2.33895  92.1486      2.33895  92.1486      2.33895  9.59733  0.0861796 ?        ?         
1 1 1 28 28 3  o 6.46671  0.103175  41.862       1.33364  41.862       1.33364  41.862       1.33364  6.4684   0.0729156 ?        ?         
1 1 1 28 28 4  o 12.5135  0.161478  156.777      4.03979  156.777      4.03979  156.777      4.03979  12.5173  0.114126  ?        ?         
1 1 1 28 28 5  o 7.02934  0.118119  49.4728      1.65954  49.4728      1.65954  49.4728      1.65954  7.03152  0.0834704 ?        ?         
1 1 1 28 28 6  o 2.51814  0.208699  6.47861      1.03446  6.47861      1.03446  6.47861      1.03446  2.53206  0.145542  ?        ?         
1 1 1 28 28 7  o 1.8239   0.301322  3.59548      1.00867  3.59548      1.00867  3.59548      1.00867  1.86478  0.19621   ?        ?         
1 1 1 28 28 8  o 3.31186  0.172214  11.0676      1.13366  11.0676      1.13366  11.0676      1.13366  3.31939  0.121113  ?        ?         
1 1 1 28 28 9  o 10.9106  0.159371  119.224      3.476    119.224      3.476    119.224      3.476    10.9147  0.112622  ?        ?         
1 1 1 28 28 10 o 12.2269  0.152303  149.699      3.72308  149.699      3.72308  149.699      3.72308  12.231   0.107639  ?        ?         
1 1 1 28 28 11 o 9.55061  0.128868  91.3293      2.46052  91.3293      2.46052  91.3293      2.46052  9.55362  0.0910759 ?        ?         
1 1 1 28 28 12 o 0.763982 0.432656  0.792563     1.00507  0.792563     1.00507  0.792563     1.00507  0.731951 0.379578  ?        ?         
1 1 1 28 28 13 f 2.54532  0.147041  6.55074      0.742817 6.55074      0.742817 6.55074      0.742817 2.55247  0.103275  ?        ?         
1 1 1 28 28 14 o 2.96261  0.131189  8.83731      0.773855 8.83731      0.773855 8.83731      0.773855 2.96772  0.0923946 ?        ?         
1 1 1 28 28 15 o 4.82413  0.102826  23.3201      0.991076 23.3201      0.991076 23.3201      0.991076 4.82661  0.0726342 ?        ?         
1 1 1 28 28 16 o 4.00936  0.1175    16.1323      0.94037  16.1323      0.94037  16.1323      0.94037  4.01293  0.0829298 ?        ?         
1 1 1 28 28 17 o 3.63255  0.13108   13.2649      0.949496 13.2649      0.949496 13.2649      0.949496 3.63734  0.092427  ?        ?         
1 1 1 28 28 18 o 1.38366  0.342882  2.24839      0.82038  2.24839      0.82038  2.24839      0.82038  1.45212  0.213438  ?        ?         
1 1 1 28 28 19 o 2.93084  0.149678  8.6759       0.872139 8.6759       0.872139 8.6759       0.872139 2.93823  0.10525   ?        ?         
1 1 1 28 28 20 o 2.64758  0.168763  7.11615      0.885301 7.11615      0.885301 7.11615      0.885301 2.65775  0.118303  ?        ?         
1 1 1 28 28 21 o 7.62077  0.117277  58.2171      1.78653  58.2171      1.78653  58.2171      1.78653  7.62541  0.0828547 ?        ?         
1 1 1 28 28 22 o 0.541033 0.356617  -0.088004    0.94867  -0.088004    0.94867  -0.088004    0.94867  0.451008 0.298254  ?        ?         
1 1 1 28 28 23 o 1.01657  0.440219  1.51052      0.916761 1.51052      0.916761 1.51052      0.916761 1.09324  0.339418  ?        ?         
1 1 1 28 28 24 o 4.08446  0.1455    16.8097      1.18515  16.8097      1.18515  16.8097      1.18515  4.09222  0.102539  ?        ?         
1 1 1 28 28 25 o 2.41515  0.220311  6.02814      1.04381  6.02814      1.04381  6.02814      1.04381  2.43572  0.152894  ?        ?         
1 1 1 28 28 26 o 5.43778  0.130819  29.7225      1.42087  29.7225      1.42087  29.7225      1.42087  5.44476  0.0923233 ?        ?         
1 1 1 28 28 27 o 2.20791  0.248982  5.13         1.06762  5.13         1.06762  5.13         1.06762  2.23766  0.170981  ?        ?         
1 1 1 28 28 28 o 1.42055  0.490562  2.74092      1.25336  2.74092      1.25336  2.74092      1.25336  1.54599  0.325809  ?        ?         
1 1 1 28 28 29 o 1.24908  0.469676  2.1983       1.09248  2.1983       1.09248  2.1983       1.09248  1.36424  0.326644  ?        ?         
1 1 1 28 28 30 o 2.45686  0.273843  6.41331      1.30748  6.41331      1.30748  6.41331      1.30748  2.49619  0.187625  ?        ?         
1 1 1 28 28 31 o 1.62046  0.458904  3.34287      1.28675  3.34287      1.28675  3.34287      1.28675  1.7408   0.284194  ?        ?         
1 1 1 28 28 32 o 2.7622   0.250404  8.01935      1.35719  8.01935      1.35719  8.01935      1.35719  2.79788  0.173017  ?        ?         
1 1 1 28 28 33 o 0.628054 0.414037  0.064961     1.27938  0.064961     1.27938  0.064961     1.27938  0.540325 0.353008  ?        ?         
1 1 1 28 28 34 o 1.24604  0.517213  2.44486      1.27712  2.44486      1.27712  2.44486      1.27712  1.39201  0.376034  ?        ?         
1 1 1 28 28 35 o 0.79794  0.474314  1.04548      1.29481  1.04548      1.29481  1.04548      1.29481  0.7847   0.424018  ?        ?         
1 1 1 28 28 36 o 0.551258 0.375352  -0.228303    1.20774  -0.228303    1.20774  -0.228303    1.20774  0.464414 0.316002  ?        ?         
1 1 1 28 28 37 o 0.458304 0.330566  -1.43367     1.34839  -1.43367     1.34839  -1.43367     1.34839  0.362094 0.263126  ?        ?         
1 1 1 28 28 38 o 0.837432 0.502001  1.52056      1.4706   1.52056      1.4706   1.52056      1.4706   0.881922 0.458711  ?        ?         
1 1 1 28 28 39 o 0.44268  0.320489  -1.28887     1.33335  -1.28887     1.33335  -1.28887     1.33335  0.357948 0.260443  ?        ?         
1 1 1 28 28 40 o 0.484912 0.347255  -0.718743    1.40109  -0.718743    1.40109  -0.718743    1.40109  0.408964 0.292674  ?        ?         
1 1 1 29 0  0  o 9.61993  0.137884  92.6211      2.65165  92.6211      2.65165  92.6211      2.65165  9.62195  0.0974559 ?        ?         
1 1 1 29 0  1  o 15.6329  0.15254   244.526      4.76827  244.526      4.76827  244.526      4.76827  15.6351  0.107835  ?        ?         
1 1 1 29 0  2  o 11.011   0.111695  121.298      2.45917  121.298      2.45917  121.298      2.45917  11.0123  0.0789619 ?        ?         
1 1 1 29 0  3  o 15.2043  0.152568  231.305      4.63833  231.305      4.63833  231.305      4.63833  15.2065  0.107854  ?        ?         
1 1 1 29 0  4  o 13.8005  0.136617  190.55       3.76993  190.55       3.76993  190.55       3.76993  13.8022  0.0965802 ?        ?         
1 1 1 29 0  5  o 12.2766  0.123648  150.787      3.03527  150.787      3.03527  150.787      3.03527  12.2781  0.087412  ?        ?         
1 1 1 29 0  6  o 22.835   0.230586  521.877      10.5285  521.877      10.5285  521.877      10.5285  22.8398  0.162997  ?        ?         
1 1 1 29 0  7  o 7.29486  0.0840783 53.2397      1.22631  53.2397      1.22631  53.2397      1.22631  7.29571  0.0594366 ?        ?         
1 1 1 29 0  8  o 14.8416  0.15412   220.387      4.57364  220.387      4.57364  220.387      4.57364  14.8435  0.108952  ?        ?         
1 1 1 29 0  9  o 2.64122  0.109665  7.0127       0.577029 7.0127       0.577029 7.0127       0.577029 2.64471  0.0772886 ?        ?         
1 1 1 29 0  10 o 6.19982  0.0892458 38.4639      1.1061   38.4639      1.1061   38.4639      1.1061   6.20087  0.0630808 ?        ?         
1 1 1 29 0  11 o 21.3849  0.213658  457.603      9.13603  457.603      9.13603  457.603      9.13603  21.3882  0.151038  ?        ?         
1 1 1 29 0  12 f 18.4775  0.178005  341.593      6.57681  341.593      6.57681  341.593      6.57681  18.4798  0.12584   ?        ?         
1 1 1 29 0  13 o 13.6778  0.139863  187.17       3.82515  187.17       3.82515  187.17       3.82515  13.6794  0.0988752 ?        ?         
1 1 1 29 0  14 o 10.724   0.127173  115.07       2.72675  115.07       2.72675  115.07       2.72675  10.7256  0.0898979 ?        ?         
1 1 1 29 0  15 o 18.543   0.180368  344.055      6.6877   344.055      6.6877   344.055      6.6877   18.5459  0.127506  ?        ?         
1 1 1 29 0  16 o 10.8028  0.125325  116.768      2.7069   116.768      2.7069   116.768      2.7069   10.8044  0.0885917 ?        ?         
1 1 1 29 0  17 o 15.9539  0.167403  254.693      5.34014  254.693      5.34014  254.693      5.34014  15.9565  0.118338  ?        ?         
1 1 1 29 0  18 o 21.3912  0.227442  458.047      9.72805  458.047      9.72805  458.047      9.72805  21.3966  0.160765  ?        ?         
1 1 1 29 0  19 o 13.4103  0.15131   179.967      4.05708  179.967      4.05708  179.967      4.05708  13.4128  0.106958  ?        ?         
1 1 1 29 0  20 o 12.9998  0.158286  169.145      4.114    169.145      4.114    169.145      4.114    13.0027  0.111882  ?        ?         
1 1 1 29 0  21 o 3.44035  0.184636  11.9471      1.26207  11.9471      1.26207  11.9471      1.26207  3.44848  0.12981   ?        ?         
1 1 1 29 0  22 o 12.2428  0.139106  150.024      3.40511  150.024      3.40511  150.024      3.40511  12.2456  0.0983259 ?        ?         
1 1 1 29 0  23 o 16.2231  0.168366  263.517      5.46148  263.517      5.46148  263.517      5.46148  16.2281  0.119001  ?        ?         
1 1 1 29 0  24 o 7.61938  0.121311  58.1339      1.84757  58.1339      1.84757  58.1339      1.84757  7.62196  0.0857262 ?        ?         
1 1 1 29 0  25 f 0.842258 0.462896  1.01455      1.10613  1.01455      1.10613  1.01455      1.10613  0.825261 0.403819  ?        ?         
1 1 1 29 0  26 o 0.856847 0.486112  1.00233      1.27138  1.00233      1.27138  1.00233      1.27138  0.821425 0.426707  ?        ?         
1 1 1 29 0  27 o 1.08935  0.506499  1.76577      1.21611  1.76577      1.21611  1.76577      1.21611  1.15274  0.410227  ?        ?         
1 1 1 29 0  28 o 6.3125   0.133899  39.9648      1.68876  39.9648      1.68876  39.9648      1.68876  6.31713  0.0945635 ?        ?         
1 1 1 29 0  29 f 6.63724  0.137002  44.1943      1.81689  44.1943      1.81689  44.1943      1.81689  6.64258  0.0967505 ?        ?         
1 1 1 29 0  30 o 0.982965 0.49209   1.47042      1.1719   1.47042      1.1719   1.47042      1.1719   1.01833  0.415576  ?        ?         
1 1 1 29 0  31 o 0.621219 0.412917  -0.196639    1.30743  -0.196639    1.30743  -0.196639    1.30743  0.51497  0.34354   ?        ?         
1 1 1 29 0  32 o 2.9934   0.230121  9.19772      1.35897  9.19772      1.35897  9.19772      1.35897  3.01341  0.160483  ?        ?         
1 1 1 29 0  33 o 2.60546  0.286764  7.13009      1.453    7.13009      1.453    7.13009      1.453    2.63908  0.197187  ?        ?         
1 1 1 29 0  34 o 0.608208 0.404952  -0.192098    1.26966  -0.192098    1.26966  -0.192098    1.26966  0.504957 0.337281  ?        ?         
1 1 1 29 0  35 o 1.63496  0.475566  3.39016      1.34833  3.39016      1.34833  3.39016      1.34833  1.75411  0.297454  ?        ?         
1 1 1 29 0  36 o 3.31406  0.224033  11.2977      1.46935  11.2977      1.46935  11.2977      1.46935  3.33788  0.156418  ?        ?         
1 1 1 29 0  37 o 0.809169 0.487564  0.86201      1.40098  0.86201      1.40098  0.86201      1.40098  0.759461 0.429742  ?        ?         
1 1 1 29 0  38 o 0.939319 0.526511  1.41917      1.46958  1.41917      1.46958  1.41917      1.46958  0.941811 0.464695  ?        ?         
1 1 1 29 0  39 o 0.762789 0.478185  0.636482     1.473    0.636482     1.473    0.636482     1.473    0.696789 0.420106  ?        ?         
1 1 1 29 0  40 o 0.665457 0.439496  0.116342     1.45033  0.116342     1.45033  0.116342     1.45033  0.577193 0.376592  ?        ?         
1 1 1 29 0  41 o 0.576788 0.399535  -0.582786    1.47937  -0.582786    1.47937  -0.582786    1.47937  0.475472 0.330467  ?        ?         
1 1 1 29 0  42 o 0.616278 0.416565  -0.0848748   1.45064  -0.0848748   1.45064  -0.0848748   1.45064  0.530046 0.355791  ?        ?         
1 1 1 29 0  43 o 0.609976 0.420029  -0.170003    1.59648  -0.170003    1.59648  -0.170003    1.59648  0.528392 0.360883  ?        ?         
1 1 1 29 0  44 o 1.2493   0.609193  3.53818      1.77758  3.53818      1.77758  3.53818      1.77758  1.53394  0.46986   ?        ?         
1 1 1 29 0  45 o 0.478488 0.349342  -1.80505     1.73901  -1.80505     1.73901  -1.80505     1.73901  0.389616 0.285988  ?        ?         
1 1 1 29 1  0  o 5.33017  0.0809578 28.4326      0.862589 28.4326      0.862589 28.4326      0.862589 5.3312   0.0572199 ?        ?         
1 1 1 29 1  1  o 15.1015  0.104518  228.114      3.15677  228.242      4.46387  227.986      4.46482  15.1038  0.147774  15.0953  0.147888  
1 1 1 29 1  2  o 16.927   0.116597  286.615      3.94729  289.549      5.64087  283.801      5.52555  17.0106  0.165805  16.841   0.16405   
1 1 1 29 1  3  o 5.64229  0.0540582 31.8376      0.610024 31.9353      0.858549 31.7379      0.866921 5.65075  0.0759678 5.63325  0.0769468 
1 1 1 29 1  4  o 13.5883  0.0951597 184.677      2.58611  185.533      3.59866  183.764      3.71892  13.6184  0.132125  13.5531  0.137198  
1 1 1 29 1  5  o 15.1958  0.109548  230.968      3.32933  230.423      4.64252  231.546      4.77712  15.176   0.152956  15.2127  0.15701   
1 1 1 29 1  6  o 6.17599  0.0584314 38.1453      0.721743 38.5943      1.02811  37.709       1.01345  6.21203  0.0827514 6.14037  0.0825235 
1 1 1 29 1  7  o 13.876   0.0986959 192.575      2.739    192.815      3.83655  192.325      3.91161  13.8835  0.13817   13.8657  0.141053  
1 1 1 29 1  8  o 9.34182  0.0735909 87.2772      1.37495  85.9153      1.89638  88.7866      1.99641  9.26826  0.102305  9.4218   0.105946  
1 1 1 29 1  9  o 10.4442  0.0789608 109.092      1.64937  112.273      2.47201  106.54       2.21433  10.5948  0.116661  10.321   0.107274  
1 1 1 29 1  10 o 7.24919  0.0667837 52.5542      0.968256 52.5972      1.39571  52.5143      1.34438  7.25189  0.0962306 7.24621  0.092764  
1 1 1 29 1  11 o 21.0284  0.146733  442.335      6.17112  441.296      8.80183  443.338      8.6546   21.0001  0.209567  21.0488  0.205584  
1 1 1 29 1  12 f 19.6897  0.135061  387.789      5.31863  389.183      7.62983  386.473      7.418    19.722   0.193434  19.6535  0.188719  
1 1 1 29 1  13 o 14.7976  0.108432  219.011      3.20906  219.645      4.553    218.385      4.52373  14.8175  0.153636  14.775   0.153088  
1 1 1 29 1  14 o 8.18212  0.0747394 66.9541      1.22305  66.8134      1.75248  67.0877      1.70771  8.17306  0.107211  8.18986  0.104258  
1 1 1 29 1  15 o 17.3709  0.120547  301.838      4.18803  302.194      5.92743  301.483      5.91812  17.3785  0.170539  17.358   0.170472  
1 1 1 29 1  16 o 7.58336  0.0759263 57.5145      1.15155  57.9037      1.6108   57.1077      1.64689  7.60852  0.105855  7.55598  0.108979  
1 1 1 29 1  17 o 10.3529  0.0906033 107.204      1.87602  107.319      2.65674  107.09       2.64945  10.3574  0.128253  10.3464  0.128038  
1 1 1 29 1  18 o 9.21024  0.0936359 84.8485      1.72482  86.3451      2.52301  83.5353      2.36333  9.28988  0.135793  9.13769  0.129318  
1 1 1 29 1  19 o 7.53894  0.0855967 56.8485      1.29062  56.269       1.82967  57.4223      1.82078  7.49954  0.121985  7.57606  0.120167  
1 1 1 29 1  20 o 9.03015  0.0928294 81.5702      1.67653  82.1412      2.32226  80.9486      2.42287  9.06034  0.128155  8.99403  0.134693  
1 1 1 29 1  21 o 8.02238  0.0886776 64.3826      1.42281  63.3825      2.03947  65.3308      1.98592  7.95819  0.128136  8.07984  0.122893  
1 1 1 29 1  22 o 5.77266  0.0888251 33.3385      1.02551  34.5696      1.46028  32.1405      1.44051  5.87702  0.124237  5.66666  0.127104  
1 1 1 29 1  23 o 1.03476  0.333392  1.04944      0.783147 1.11238      1.10716  0.986417     1.10791  1.12164  0.395483  1.08831  0.394413  
1 1 1 29 1  24 f 7.15429  0.0866206 51.2168      1.23942  51.018       1.73119  51.4259      1.77524  7.13816  0.121263  7.16644  0.123858  
1 1 1 29 1  25 o 4.0115   0.113282  16.1144      0.908859 16.1284      1.27929  16.1002      1.29143  4.01052  0.159492  4.0069   0.161151  
1 1 1 29 1  26 o 3.80733  0.121708  14.5234      0.926766 15.2837      1.31293  13.7684      1.30837  3.90231  0.168225  3.70313  0.176658  
1 1 1 29 1  27 o 0.721408 0.313391  -0.124608    0.840672 0.429146     1.19343  -0.670007    1.1844   0.972663 0.393891  0.775257 0.352013  
1 1 1 29 1  28 f 3.36943  0.138227  11.3927      0.931496 11.9169      1.36959  10.9415      1.27064  3.43961  0.199091  3.2966   0.192719  
1 1 1 29 1  29 o 4.10003  0.117831  16.8592      0.966221 17.5188      1.35293  16.1726      1.38037  4.17415  0.16206   4.00916  0.172153  
1 1 1 29 1  30 o 3.10341  0.14511   9.68238      0.90067  10.0915      1.29816  9.30267      1.25065  3.15998  0.205407  3.03385  0.206115  
1 1 1 29 1  31 o 1.16719  0.359078  1.42286      0.919673 0.358224     1.27681  2.57077      1.3258   0.973829 0.402744  1.53755  0.419565  
1 1 1 29 1  32 o 4.37541  0.122413  19.2459      1.07121  18.8804      1.49594  19.6305      1.53465  4.32214  0.173056  4.40687  0.17412   
1 1 1 29 1  33 o 1.45814  0.334714  2.29898      0.956013 2.74477      1.36173  1.8657       1.34249  1.57548  0.423123  1.33123  0.436814  
1 1 1 29 1  34 o 1.16052  0.356024  1.43996      0.904954 1.76075      1.2414   1.07616      1.322    1.28523  0.420046  1.12314  0.426419  
1 1 1 29 1  35 o 3.21642  0.156262  10.4842      1.0052   12.0904      1.44507  8.97831      1.39919  3.43545  0.210317  2.95097  0.237073  
1 1 1 29 1  36 o 0.6821   0.311073  -0.51267     0.947366 -1.19023     1.33958  0.165284     1.33997  0.744452 0.349629  0.931475 0.399983  
1 1 1 29 1  37 o 2.07419  0.241829  4.48997      1.0032   5.07908      1.42295  3.90778      1.41456  2.16857  0.328085  1.84453  0.394894  
1 1 1 29 1  38 o 1.88475  0.278519  3.7808       1.04988  4.3282       1.47578  3.21989      1.49388  1.9337   0.395249  1.63444  0.445083  
1 1 1 29 1  39 o 1.3636   0.376234  2.20418      1.0589   1.46089      1.50755  2.92801      1.48768  1.17378  0.452672  1.52839  0.454019  
1 1 1 29 1  40 o 0.845447 0.353564  0.421862     1.00119  0.501522     1.38094  0.333595     1.45364  0.949874 0.406905  0.938646 0.409935  
1 1 1 29 1  41 o 1.49523  0.353788  2.75094      1.0428   2.41012      1.46067  3.10522      1.48925  1.3216   0.455373  1.49462  0.456354  
1 1 1 29 1  42 o 1.38291  0.36698   2.49152      1.03204  2.66771      1.46105  2.31606      1.45799  1.33932  0.455695  1.2551   0.452692  
1 1 1 29 1  43 o 1.3941   0.393563  2.84431      1.14527  1.23498      1.60143  4.52906      1.63853  0.976982 0.428442  1.65339  0.472029  
1 1 1 29 1  44 o 0.761918 0.349177  0.319751     1.2123   1.10969      1.74157  -0.422835    1.68857  0.903333 0.415879  0.756205 0.365635  
1 1 1 29 1  45 o 0.616719 0.301537  -0.894543    1.2391   -0.0316755   1.74165  -1.77894     1.76325  0.757623 0.367356  0.654215 0.326664  
1 1 1 29 2  0  o 22.1809  0.213639  492.388      9.47541  492.388      9.47541  492.388      9.47541  22.1853  0.151019  ?        ?         
1 1 1 29 2  1  o 6.96336  0.0578102 48.4922      0.805107 49.2242      1.141    47.7663      1.1362   7.01546  0.0813205 6.91077  0.082205  
1 1 1 29 2  2  o 29.882   0.20467   893.77       12.2319  893.748      17.1239  893.792      17.4786  29.8677  0.286663  29.8673  0.292604  
1 1 1 29 2  3  o 18.0812  0.124139  327.038      4.48915  328.802      6.37903  325.307      6.31864  18.1268  0.175956  18.0302  0.175223  
1 1 1 29 2  4  o 21.5538  0.150317  464.777      6.47981  461.915      9.32196  467.452      9.01348  21.4818  0.216973  21.611   0.20854   
1 1 1 29 2  5  o 23.4607  0.165346  550.69       7.75827  551.05       10.6146  550.277      11.3678  23.4629  0.226199  23.4447  0.242439  
1 1 1 29 2  6  o 13.4636  0.099409  181.3        2.67681  177.933      3.63851  185.274      3.95206  13.3369  0.136408  13.609   0.145201  
1 1 1 29 2  7  o 6.27776  0.0603245 39.4126      0.757405 39.5862      1.10583  39.2592      1.03951  6.29135  0.0878852 6.26535  0.0829566 
1 1 1 29 2  8  o 3.51032  0.0630349 12.3231      0.442545 11.2626      0.613693 13.472       0.638767 3.35575  0.0914388 3.67021  0.0870205 
1 1 1 29 2  9  o 23.807   0.162842  566.995      7.75355  571.146      11.0398  562.953      10.892   23.8892  0.231063  23.7173  0.229622  
1 1 1 29 2  10 o 15.6897  0.10906   246.209      3.42222  245.537      4.87839  246.86       4.80202  15.6667  0.155692  15.709   0.152843  
1 1 1 29 2  11 o 30.8446  0.207979  952.003      12.8301  951.671      17.9418  952.35       18.3541  30.8292  0.290987  30.8393  0.297577  
1 1 1 29 2  12 o 7.38869  0.070716  54.5969      1.045    52.9361      1.4752   56.2697      1.48051  7.27513  0.101387  7.50074  0.0986908 
1 1 1 29 2  13 o 7.78779  0.0827586 60.6569      1.28901  57.7156      1.73443  64.2859      1.92655  7.59621  0.114164  8.01683  0.120157  
1 1 1 29 2  14 o 13.3781  0.0994928 179.008      2.66205  178.605      3.80236  179.395      3.72814  13.3616  0.142286  13.3913  0.1392    
1 1 1 29 2  15 o 9.76056  0.0908852 95.285       1.77418  98.6331      2.50801  91.9312      2.51013  9.92975  0.126288  9.58634  0.130922  
1 1 1 29 2  16 o 6.81145  0.0772268 46.402       1.05205  48.781       1.49518  44.0692      1.48059  6.98345  0.107051  6.63755  0.111531  
1 1 1 29 2  17 o 7.00052  0.0879369 49.0166      1.23121  52.1134      1.71717  45.7402      1.76625  7.21769  0.118955  6.76172  0.130607  
1 1 1 29 2  18 o 12.6672  0.103764  160.506      2.62879  159.128      3.64862  161.994      3.79078  12.6109  0.144662  12.7237  0.148965  
1 1 1 29 2  19 o 11.3447  0.0990648 128.742      2.24771  128.066      3.15605  129.437      3.20194  11.3131  0.139486  11.3734  0.140764  
1 1 1 29 2  20 o 18.1228  0.140382  328.697      5.08821  326.626      6.98799  331.034      7.42337  18.059   0.193476  18.1789  0.204176  
1 1 1 29 2  21 o 7.56226  0.0868334 57.2091      1.31331  57.7027      1.89275  56.7507      1.82378  7.59331  0.124633  7.53057  0.121092  
1 1 1 29 2  22 o 4.41106  0.0986863 19.4686      0.870621 18.4524      1.21994  20.5233      1.24287  4.29307  0.142083  4.52774  0.13725   
1 1 1 29 2  23 o 8.15067  0.0863934 66.4688      1.40833  65.2526      1.95528  67.7799      2.03019  8.07365  0.12109   8.22834  0.123365  
1 1 1 29 2  24 o 5.24349  0.0943351 27.5165      0.989291 27.368       1.38005  27.6736      1.4189   5.22729  0.132004  5.2562   0.134973  
1 1 1 29 2  25 o 3.62075  0.123025  13.1318      0.890887 13.2087      1.25759  13.0543      1.26223  3.62834  0.173302  3.60695  0.174971  
1 1 1 29 2  26 o 7.32958  0.0919785 53.7838      1.34833  52.8253      1.93675  54.6852      1.87824  7.25942  0.133396  7.38692  0.127133  
1 1 1 29 2  27 o 3.90548  0.124105  15.2895      0.969382 14.6944      1.41464  15.8164      1.331    3.82299  0.185018  3.96818  0.16771   
1 1 1 29 2  28 o 2.9746   0.145928  8.88371      0.868155 8.9452       1.22857  8.82238      1.22695  2.97894  0.206209  2.95828  0.207375  
1 1 1 29 2  29 o 1.30382  0.320217  1.80548      0.830054 0.593892     1.15984  3.07751      1.18843  0.99409  0.393636  1.69997  0.360501  
1 1 1 29 2  30 o 2.38089  0.182021  5.71785      0.866742 4.99375      1.20106  6.50472      1.25204  2.21355  0.271297  2.53034  0.247406  
1 1 1 29 2  31 o 2.48677  0.190913  6.2529       0.949514 6.81596      1.28571  5.57738      1.40827  2.58642  0.248551  2.32932  0.302293  
1 1 1 29 2  32 o 1.46787  0.318623  2.31472      0.909151 1.85964      1.2313   2.86023      1.3481   1.32219  0.41724   1.61132  0.415696  
1 1 1 29 2  33 o 3.09378  0.158761  9.66637      0.982345 8.46599      1.3919   10.8577      1.38661  2.87672  0.241924  3.26629  0.212261  
1 1 1 29 2  34 o 1.51462  0.301707  2.47013      0.881538 2.35897      1.22974  2.58763      1.26435  1.45467  0.406902  1.52106  0.407353  
1 1 1 29 2  35 f 1.98674  0.234829  4.07064      0.933088 3.00996      1.3141   5.14922      1.32514  1.63016  0.404475  2.21335  0.299353  
1 1 1 29 2  36 o 2.8672   0.173933  8.37829      0.997403 9.06095      1.39859  7.67178      1.4228   2.95778  0.236426  2.71078  0.262434  
1 1 1 29 2  37 o 1.44748  0.351753  2.37132      1.00976  2.2539       1.39604  2.50015      1.46228  1.39119  0.444815  1.45531  0.453809  
1 1 1 29 2  38 o 0.990907 0.373751  0.923409     1.01006  1.0138       1.42582  0.832349     1.43108  1.08904  0.434799  1.05419  0.429719  
1 1 1 29 2  39 o 1.26242  0.384224  1.8949       1.0568   2.47099      1.51648  1.35097      1.47353  1.4019   0.464258  1.14286  0.446127  
1 1 1 29 2  40 o 0.600081 0.287253  -1.06729     0.975342 -0.310698    1.38753  -1.80629     1.3713   0.829506 0.377804  0.668881 0.324839  
1 1 1 29 2  41 o 1.531    0.342435  2.85767      1.02206  3.97801      1.47221  1.81536      1.42001  1.72664  0.427937  1.17733  0.443378  
1 1 1 29 2  42 o 0.787908 0.342587  0.303899     1.0063   -1.40665     1.39596  2.15438      1.45193  0.682082 0.330254  1.21442  0.450106  
1 1 1 29 2  43 o 1.24554  0.396722  2.343        1.11126  1.38285      1.55039  3.35743      1.59363  0.989974 0.427758  1.36957  0.475285  
1 1 1 29 2  44 o 0.860449 0.374509  1.0603       1.20487  -1.58223     1.6921   3.77811      1.71603  0.669232 0.332156  1.29079  0.487071  
1 1 1 29 2  45 f 0.703374 0.332349  0.0724888    1.24523  -0.8861      1.72784  1.10842      1.7962   0.692488 0.341838  0.845012 0.399219  
1 1 1 29 3  0  f 21.0401  0.207494  443.016      8.72948  443.016      8.72948  443.016      8.72948  21.044   0.146677  ?        ?         
1 1 1 29 3  1  o 16.7598  0.116653  280.972      3.91018  276.093      5.49968  285.961      5.56048  16.6112  0.165542  16.9055  0.164458  
1 1 1 29 3  2  o 13.5686  0.0960599 184.141      2.60679  183.221      3.63526  185.115      3.74009  13.5334  0.134307  13.603   0.137473  
1 1 1 29 3  3  o 26.2205  0.18419   687.975      9.65912  684.715      13.4445  691.452      13.8863  26.1497  0.257067  26.2771  0.264229  
1 1 1 29 3  4  f 7.34965  0.0714289 54.0225      1.04995  51.8662      1.42536  56.5806      1.55249  7.20114  0.0989678 7.52124  0.103207  
1 1 1 29 3  5  o 9.9989   0.0748377 99.9879      1.49659  98.9972      2.07865  101.054      2.15649  9.94875  0.104468  10.0515  0.107272  
1 1 1 29 3  6  o 32.2359  0.231276  1040.08      14.9108  1040.93      20.8476  1039.18      21.3349  32.235   0.323369  32.2065  0.331221  
1 1 1 29 3  7  o 10.8481  0.0832019 117.694      1.80516  118.076      2.62307  117.349      2.48805  10.865   0.120711  10.8317  0.114851  
1 1 1 29 3  8  o 3.14206  0.0678294 9.87318      0.426248 10.1963      0.611878 9.56855      0.594124 3.19294  0.0958172 3.0931   0.0960404 
1 1 1 29 3  9  o 11.2495  0.0810982 126.563      1.82463  125.291      2.56172  127.872      2.59951  11.1923  0.114442  11.3069  0.114952  
1 1 1 29 3  10 o 18.5781  0.130378  345.231      4.84435  345.117      6.77628  345.351      6.92815  18.5726  0.182426  18.5787  0.186454  
1 1 1 29 3  11 o 8.08386  0.068634  65.3534      1.10966  65.1481      1.58975  65.5485      1.5496   8.07084  0.0984874 8.09563  0.0957058 
1 1 1 29 3  12 o 22.837   0.166888  521.763      7.62244  524.969      10.973   518.773      10.5963  22.9014  0.239571  22.7664  0.232719  
1 1 1 29 3  13 o 23.0732  0.158836  532.617      7.32971  528.996      10.5492  535.997      10.1916  22.9888  0.229442  23.1413  0.220204  
1 1 1 29 3  14 o 19.984   0.139111  399.518      5.55998  404.392      8.13099  395.238      7.61988  20.1011  0.202252  19.8731  0.191713  
1 1 1 29 3  15 o 10.5226  0.0908595 110.745      1.91216  110.167      2.69664  111.33       2.71183  10.4942  0.128483  10.5494  0.12853   
1 1 1 29 3  16 o 13.9354  0.107232  194.247      2.98864  195.819      4.21137  192.653      4.24194  13.9899  0.150515  13.8762  0.152849  
1 1 1 29 3  17 o 10.3634  0.0923054 107.424      1.9132   108.864      2.7564   106.085      2.65765  10.4315  0.13212   10.2976  0.129043  
1 1 1 29 3  18 o 4.37343  0.0963599 19.1321      0.842848 18.892       1.19269  19.3715      1.19124  4.3453   0.137239  4.40013  0.135364  
1 1 1 29 3  19 o 7.1248   0.0940337 50.778       1.33994  52.1091      1.82386  49.217       1.97509  7.21671  0.126364  7.01312  0.140814  
1 1 1 29 3  20 o 4.51514  0.103392  20.3959      0.933662 20.4513      1.28408  20.3337      1.35998  4.52031  0.142035  4.50704  0.150873  
1 1 1 29 3  21 o 12.8532  0.10328   165.296      2.65496  169.355      3.85893  161.647      3.65844  13.0063  0.148349  12.7072  0.143951  
1 1 1 29 3  22 o 3.62583  0.114553  13.1572      0.830699 13.6767      1.16448  12.6189      1.18537  3.69537  0.157559  3.54925  0.166989  
1 1 1 29 3  23 o 6.22803  0.0874497 38.8105      1.08928  38.9689      1.52339  38.6447      1.55814  6.239    0.122086  6.2128   0.125398  
1 1 1 29 3  24 o 7.97667  0.0859308 63.673       1.37088  61.775       1.90476  65.7126      1.97456  7.85412  0.121259  8.10051  0.121879  
1 1 1 29 3  25 o 5.03997  0.0993323 25.4299      1.00126  25.8808      1.40007  24.9579      1.43249  5.0818   0.137753  4.9899   0.143539  
1 1 1 29 3  26 o 3.66655  0.119556  13.4703      0.876714 15.0909      1.26507  11.9726      1.2161   3.87754  0.163128  3.45271  0.176108  
1 1 1 29 3  27 o 2.7554   0.159347  7.62352      0.87813  5.63608      1.29606  9.31012      1.19394  2.35951  0.274646  3.04167  0.196265  
1 1 1 29 3  28 o 0.919001 0.336481  0.702195     0.80815  0.640998     1.18076  0.756126     1.10845  1.01222  0.398321  1.01876  0.389388  
1 1 1 29 3  29 o 4.01763  0.114356  16.1882      0.918883 17.8338      1.27436  14.4061      1.32618  4.21238  0.151264  3.78274  0.175293  
1 1 1 29 3  30 o 3.94122  0.125722  15.6002      0.990997 14.8118      1.35492  16.5071      1.4532   3.83245  0.176769  4.04529  0.179616  
1 1 1 29 3  31 o 3.21094  0.15478   10.3875      0.993977 10.6416      1.3264   10.0619      1.50116  3.24084  0.204638  3.14394  0.238739  
1 1 1 29 3  32 o 2.94086  0.167002  8.73544      0.982261 8.74346      1.36345  8.72678      1.41631  2.92832  0.232803  2.9232   0.242254  
1 1 1 29 3  33 o 0.993027 0.355764  0.906314     0.899139 -0.397274    1.24816  2.31253      1.29636  0.826472 0.369012  1.45116  0.42168   
1 1 1 29 3  34 o 0.856475 0.340099  0.471188     0.868049 -1.02129     1.20038  2.10719      1.25677  0.718761 0.336365  1.37984  0.418812  
1 1 1 29 3  35 o 2.65439  0.18305   7.18149      0.971769 6.26802      1.38417  8.06933      1.36462  2.4478   0.282738  2.79299  0.244294  
1 1 1 29 3  36 o 2.00535  0.23338   4.16341      0.936019 4.80831      1.33341  3.53692      1.31425  2.12565  0.313649  1.7696   0.382198  
1 1 1 29 3  37 o 3.39847  0.16277   11.7806      1.10634  13.141       1.53596  10.3138      1.59491  3.56308  0.215537  3.13585  0.254302  
1 1 1 29 3  38 o 2.05095  0.25066   4.43797      1.02819  4.75985      1.44395  4.10689      1.46442  2.04309  0.366682  1.87086  0.402899  
1 1 1 29 3  39 o 1.47569  0.35176   2.55574      1.02495  2.76319      1.45793  2.35302      1.44121  1.4749   0.451774  1.3693   0.45259   
1 1 1 29 3  40 f 0.636567 0.298548  -0.720449    0.964552 -1.9321      1.36764  0.478679     1.36055  0.656204 0.320019  0.937349 0.402792  
1 1 1 29 3  41 f 1.25811  0.374264  2.02547      1.01043  3.2557       1.43317  0.809577     1.42479  1.53162  0.442828  0.974017 0.41515   
1 1 1 29 3  42 o 1.2304   0.380266  2.03957      1.02982  2.0119       1.4513   2.06763      1.46152  1.17485  0.446571  1.18658  0.448986  
1 1 1 29 3  43 o 0.677648 0.31819   -0.376096    1.10748  -0.340825    1.54886  -0.412993    1.58417  0.775433 0.368404  0.774866 0.36976   
1 1 1 29 3  44 o 0.645741 0.312396  -0.650478    1.23911  -0.932782    1.73038  -0.35335     1.77522  0.709818 0.349647  0.754726 0.367443  
1 1 1 29 3  45 o 0.962045 0.399854  1.88698      1.26836  2.63454      1.79704  1.14489      1.79045  0.994571 0.443456  0.836374 0.396759  
1 1 1 29 4  0  o 4.07881  0.0784517 16.6561      0.639445 16.6561      0.639445 16.6561      0.639445 4.08     0.0554343 ?        ?         
1 1 1 29 4  1  o 5.13455  0.0589897 26.3654      0.605772 27.5309      0.850718 25.1666      0.862791 5.24665  0.0810725 5.01627  0.0859992 
1 1 1 29 4  2  o 3.82262  0.0555731 14.6133      0.42487  14.7472      0.604803 14.4828      0.596986 3.83997  0.078751  3.8054   0.0784392 
1 1 1 29 4  3  o 20.8514  0.152778  434.967      6.37126  437.238      9.0489   432.733      8.97222  20.9011  0.216469  20.7932  0.215749  
1 1 1 29 4  4  o 14.5386  0.107404  211.414      3.12301  213.513      4.30675  209.086      4.53533  14.6093  0.147398  14.4566  0.15686   
1 1 1 29 4  5  o 23.5768  0.162401  556.108      7.65778  555.553      10.7015  556.69       10.9627  23.5599  0.227113  23.5835  0.232423  
1 1 1 29 4  6  o 7.44864  0.066129  55.486       0.985141 54.8845      1.36116  56.1477      1.42762  7.40791  0.091872  7.49263  0.095268  
1 1 1 29 4  7  o 20.5693  0.141013  423.22       5.80106  429.066      8.30663  417.653      8.10496  20.7076  0.200569  20.4305  0.198354  
1 1 1 29 4  8  o 8.7517   0.0694044 76.5977      1.21481  76.1151      1.6976   77.1042      1.73917  8.72378  0.0972972 8.78026  0.0990386 
1 1 1 29 4  9  o 24.0818  0.161225  580.156      7.76516  584.738      11.0718  575.721      10.8935  24.1718  0.229024  23.9848  0.227092  
1 1 1 29 4  10 o 13.7249  0.0993056 188.399      2.72591  186.108      3.77961  190.883      3.93513  13.6402  0.138547  13.8139  0.142434  
1 1 1 29 4  11 o 11.0955  0.0843735 123.124      1.87234  122.529      2.6184   123.746      2.67839  11.0681  0.118286  11.1229  0.1204    
1 1 1 29 4  12 o 9.51858  0.0776878 90.6126      1.47895  90.2884      2.08989  90.9378      2.09323  9.50103  0.109982  9.53514  0.109764  
1 1 1 29 4  13 o 13.329   0.096285  177.695      2.56677  179.439      3.70776  176.09       3.55687  13.393   0.138421  13.2676  0.134044  
1 1 1 29 4  14 o 19.8998  0.137306  396.156      5.4647   396.541      7.82724  395.791      7.63294  19.9053  0.196612  19.8869  0.191909  
1 1 1 29 4  15 o 21.1379  0.154091  447.042      6.51432  450.176      9.28087  443.999      9.14588  21.2063  0.218824  21.0604  0.217134  
1 1 1 29 4  16 o 13.5988  0.10663   184.978      2.90009  185.975      4.11318  183.991      4.08962  13.6336  0.150847  13.5607  0.15079   
1 1 1 29 4  17 o 9.40197  0.0875641 88.4151      1.64655  88.8407      2.36269  88.0132      2.29589  9.42354  0.125361  9.37965  0.122387  
1 1 1 29 4  18 o 5.38581  0.0893245 29.014       0.96217  28.3004      1.37308  29.7024      1.34868  5.31847  0.129086  5.44873  0.123761  
1 1 1 29 4  19 o 7.7901   0.0859439 60.702       1.33902  59.82        1.87973  61.6105      1.90791  7.73226  0.121551  7.84713  0.121568  
1 1 1 29 4  20 o 4.18561  0.108612  17.5287      0.909218 16.2824      1.23482  19.0046      1.34373  4.03297  0.15309   4.35704  0.154202  
1 1 1 29 4  21 o 4.44275  0.101912  19.7492      0.90554  19.2797      1.23026  20.3044      1.33773  4.38853  0.140168  4.50335  0.148526  
1 1 1 29 4  22 o 6.67228  0.0835678 44.5393      1.11518  46.1048      1.5806   42.9877      1.57362  6.78706  0.116442  6.55343  0.120061  
1 1 1 29 4  23 o 9.9492   0.0888393 99.0479      1.76776  99.0474      2.48263  99.0485      2.51772  9.9461   0.124804  9.94598  0.12657   
1 1 1 29 4  24 o 6.55395  0.0886726 42.9891      1.16231  42.0185      1.66569  43.9103      1.62267  6.47668  0.128591  6.62139  0.122532  
1 1 1 29 4  25 o 4.44815  0.106561  19.8128      0.948    20.7447      1.35082  18.9083      1.33075  4.54866  0.148486  4.34229  0.153232  
1 1 1 29 4  26 o 3.31102  0.135335  10.9915      0.896195 10.705       1.2517   11.2929      1.28373  3.26325  0.191788  3.35169  0.191504  
1 1 1 29 4  27 f 3.74801  0.124028  14.0841      0.929714 13.6901      1.40178  14.3935      1.24226  3.68869  0.19001   3.78521  0.164094  
1 1 1 29 4  28 o 1.48894  0.281338  2.32297      0.807237 2.50393      1.17281  2.16007      1.11276  1.53053  0.383554  1.42441  0.382465  
1 1 1 29 4  29 o 1.63745  0.241791  2.71725      0.79184  3.65911      1.08562  1.64657      1.15749  1.89515  0.286421  1.26784  0.404997  
1 1 1 29 4  30 o 3.41493  0.143787  11.7293      0.982044 10.8759      1.28547  12.9255      1.52193  3.28042  0.19593   3.57277  0.21299   
1 1 1 29 4  31 f 1.15916  0.34246   1.41915      0.848188 1.3624       1.17027  1.48196      1.23107  1.1799   0.4075    1.22171  0.418295  
1 1 1 29 4  32 o 0.729479 0.321727  -0.211741    0.915034 -1.03122     1.2669   0.681966     1.32303  0.749638 0.348768  1.04672  0.418493  
1 1 1 29 4  33 o 2.74704  0.170448  7.63395      0.936457 7.33277      1.31918  7.93989      1.32958  2.67534  0.246545  2.786    0.238618  
1 1 1 29 4  34 o 0.960067 0.349597  0.837863     0.871345 0.846953     1.21386  0.8282       1.25154  1.04259  0.405339  1.04726  0.410672  
1 1 1 29 4  35 o 1.69832  0.27387   3.0104       0.930239 2.29525      1.33038  3.69452      1.30122  1.42359  0.430665  1.82374  0.369637  
1 1 1 29 4  36 o 1.39857  0.335381  2.17846      0.927404 1.51193      1.30343  2.86186      1.31982  1.20328  0.428616  1.57501  0.413655  
1 1 1 29 4  37 o 2.56044  0.204319  6.76383      1.04629  6.70159      1.45003  6.83144      1.51124  2.51031  0.288815  2.52923  0.298754  
1 1 1 29 4  38 f 0.723121 0.325597  -0.300777    0.990635 -0.602238    1.3487   0.0524136    1.45983  0.804173 0.368439  0.927417 0.407868  
1 1 1 29 4  39 o 2.10477  0.246999  4.73845      1.03975  3.8591       1.48602  5.58185      1.45532  1.76099  0.425958  2.23058  0.326222  
1 1 1 29 4  40 o 0.682593 0.3122    -0.388465    0.963758 -1.16016     1.35548  0.400509     1.37057  0.719369 0.342981  0.923988 0.400754  
1 1 1 29 4  41 o 0.735727 0.330708  -0.0628873   1.01761  0.15708      1.39908  -0.309975    1.48282  0.863655 0.388012  0.823204 0.380804  
1 1 1 29 4  42 o 0.853983 0.356431  0.668128     1.01441  -0.938119    1.41848  2.34948      1.45127  0.722499 0.345989  1.23858  0.45116   
1 1 1 29 4  43 o 0.878763 0.372323  0.901708     1.13427  1.55305      1.62576  0.283967     1.58327  1.00919  0.437073  0.84266  0.391214  
1 1 1 29 4  44 o 0.859268 0.376605  1.12001      1.23591  4.14206      1.76286  -1.80123     1.73321  1.31138  0.493982  0.655488 0.326813  
1 1 1 29 4  45 o 1.00557  0.405824  2.198        1.26078  0.161885     1.76323  4.32809      1.80346  0.741483 0.361924  1.21598  0.487589  
1 1 1 29 5  0  o 20.8749  0.201502  436.044      8.41092  436.044      8.41092  436.044      8.41092  20.8783  0.142446  ?        ?         
1 1 1 29 5  1  o 12.9502  0.0912209 167.733      2.36266  173.521      3.44097  162.57       3.24983  13.1707  0.13063   12.7484  0.12746   
1 1 1 29 5  2  o 13.1578  0.0956759 173.155      2.51777  173.285      3.52629  173.02       3.59605  13.1617  0.133961  13.1515  0.136716  
1 1 1 29 5  3  o 4.76582  0.0533448 22.7141      0.508463 23.9556      0.72745  21.5282      0.710983 4.89422  0.0743173 4.63961  0.076621  
1 1 1 29 5  4  o 8.22763  0.0659687 67.6987      1.08553  67.8605      1.5552   67.5451      1.5159   8.23713  0.0944016 8.218    0.0922308 
1 1 1 29 5  5  o 22.7202  0.154925  516.402      7.03983  520.138      10.0211  512.761      9.89178  22.7978  0.219783  22.6356  0.2185    
1 1 1 29 5  6  o 13.9089  0.103556  193.488      2.8807   192.835      4.01385  194.182      4.13677  13.8843  0.144546  13.9326  0.148457  
1 1 1 29 5  7  o 12.4526  0.0894027 155.084      2.22658  156.434      3.17644  153.78       3.122    12.5059  0.126998  12.3994  0.125894  
1 1 1 29 5  8  o 16.54    0.116399  273.626      3.85049  274.094      5.39711  273.141      5.49503  16.5525  0.16303   16.5236  0.166279  
1 1 1 29 5  9  o 27.2446  0.185835  742.651      10.126   739.87       14.2712  745.469      14.37    27.1863  0.26247   27.2889  0.263293  
1 1 1 29 5  10 o 9.74599  0.0772825 94.9928      1.50639  97.3467      2.12705  92.6242      2.13368  9.86556  0.107802  9.62324  0.110861  
1 1 1 29 5  11 o 4.77844  0.0656941 22.835       0.627831 23.1375      0.879489 22.5208      0.896529 4.80981  0.0914265 4.74526  0.0944658 
1 1 1 29 5  12 o 11.9907  0.0894142 143.798      2.14428  144.403      3.0476   143.204      3.01756  12.015   0.126825  11.9651  0.126099  
1 1 1 29 5  13 o 18.9947  0.132717  360.926      5.04185  361.262      7.14397  360.593      7.11662  19.0001  0.187998  18.9825  0.187452  
1 1 1 29 5  14 o 23.3504  0.160976  545.54       7.51769  546.256      10.6518  544.829      10.6116  23.3592  0.228     23.3288  0.227435  
1 1 1 29 5  15 o 15.4329  0.115481  238.246      3.56442  238.186      5.10457  238.302      4.97946  15.4286  0.165426  15.4326  0.161329  
1 1 1 29 5  16 o 9.75164  0.0881021 95.1127      1.71828  97.2618      2.4307   92.9661      2.42933  9.86028  0.123257  9.63999  0.126003  
1 1 1 29 5  17 o 6.76505  0.0808379 45.7742      1.09374  46.5056      1.55985  45.0667      1.53405  6.81825  0.114388  6.71195  0.114277  
1 1 1 29 5  18 o 8.9025   0.092882  79.276       1.65376  81.8135      2.48232  77.2509      2.21756  9.04239  0.13726   8.78704  0.126183  
1 1 1 29 5  19 o 5.57374  0.0900192 31.0764      1.00349  29.974       1.36775  32.3616      1.47681  5.47317  0.12495   5.68684  0.129844  
1 1 1 29 5  20 o 3.38687  0.123859  11.4793      0.838986 10.3192      1.12803  12.9156      1.25513  3.20996  0.175708  3.59119  0.174752  
1 1 1 29 5  21 o 11.4251  0.0952483 130.6        2.17644  133.45       3.10219  127.838      3.05428  11.5462  0.134339  11.3007  0.135137  
1 1 1 29 5  22 o 1.76052  0.211245  3.10876      0.743802 3.44688      1.03204  2.74332      1.07294  1.85167  0.27868   1.61932  0.341902  
1 1 1 29 5  23 o 5.60656  0.0887964 31.4543      0.995684 32.0178      1.42803  30.9211      1.389    5.65462  0.126271  5.55701  0.124978  
1 1 1 29 5  24 o 6.34826  0.0904596 40.3356      1.14852  41.453       1.63708  39.2524      1.61173  6.43289  0.127243  6.25968  0.128739  
1 1 1 29 5  25 o 0.946743 0.328637  0.817114     0.761964 0.373409     1.08697  1.24581      1.06843  0.927161 0.375728  1.14713  0.389685  
1 1 1 29 5  26 o 6.7974   0.0942941 46.2651      1.28191  46.8089      1.81285  45.7212      1.81293  6.83278  0.132658  6.75272  0.134237  
1 1 1 29 5  27 o 0.717719 0.307501  -0.027477    0.788857 0.253761     1.15484  -0.273506    1.08013  0.922126 0.382293  0.794858 0.350186  
1 1 1 29 5  28 o 1.3386   0.309428  1.89765      0.812452 0.584384     1.16761  3.1303       1.13121  0.995068 0.394659  1.7209   0.34079   
1 1 1 29 5  29 o 3.35294  0.129631  11.2873      0.869287 13.4538      1.23215  9.14027      1.22658  3.65558  0.16853   3.00842  0.203859  
1 1 1 29 5  30 o 1.47972  0.311654  2.33134      0.893371 1.22187      1.16975  3.88429      1.38392  1.14549  0.406242  1.90282  0.377058  
1 1 1 29 5  31 o 1.1384   0.342645  1.364        0.843575 2.0174       1.18385  0.690019     1.20235  1.36925  0.404607  1.01807  0.401526  
1 1 1 29 5  32 o 2.39138  0.206414  5.80614      0.987229 6.26813      1.37437  5.31366      1.419    2.46919  0.278304  2.2652   0.313218  
1 1 1 29 5  33 o 4.87597  0.111823  23.895       1.09049  24.5027      1.52138  23.2529      1.56387  4.92611  0.15442   4.79618  0.163033  
1 1 1 29 5  34 o 2.20568  0.202435  4.96648      0.893015 3.84569      1.24003  6.17401      1.28712  1.88083  0.342306  2.44194  0.263544  
1 1 1 29 5  35 o 4.25148  0.125973  18.2448      1.07115  18.3492      1.53305  18.1452      1.49724  4.24279  0.180665  4.22058  0.177374  
1 1 1 29 5  36 o 0.712787 0.316073  -0.197891    0.899472 -1.35864     1.2571   1.01975      1.28754  0.694446 0.33086   1.081    0.418038  
1 1 1 29 5  37 o 1.68446  0.305298  3.11476      0.990691 4.20315      1.35975  1.88331      1.44635  1.9301   0.365529  1.29587  0.452495  
1 1 1 29 5  38 o 0.710283 0.32239   -0.381378    0.991385 1.25138      1.3621   -2.22068     1.44569  1.12544  0.431216  0.674844 0.329094  
1 1 1 29 5  39 o 1.73644  0.311544  3.42857      1.04271  3.53327      1.55584  3.3432       1.4049   1.65475  0.455825  1.63229  0.425894  
1 1 1 29 5  40 o 1.68323  0.303936  3.25814      0.98574  5.2878       1.36414  1.04022      1.426    2.1548   0.316537  1.04226  0.427583  
1 1 1 29 5  41 o 1.18143  0.384393  1.83378      1.03961  1.30093      1.41493  2.45891      1.53255  1.049    0.427393  1.29284  0.464339  
1 1 1 29 5  42 f 0.709564 0.324845  -0.155719    1.04619  -1.09626     1.49728  0.741506     1.4624   0.720915 0.347694  0.922386 0.406776  
1 1 1 29 5  43 o 0.989269 0.392511  1.43782      1.15535  1.5878       1.6736   1.30127      1.59692  1.01049  0.440597  0.968701 0.426304  
1 1 1 29 5  44 o 0.843208 0.371406  1.06585      1.2143   0.860408     1.69476  1.28259      1.74073  0.832677 0.391686  0.875959 0.408032  
1 1 1 29 5  45 o 0.770958 0.354229  0.95178      1.25656  1.07577      1.79249  0.831973     1.762    0.783396 0.378426  0.764705 0.370394  
1 1 1 29 6  0  o 13.803   0.150625  190.628      4.15704  190.628      4.15704  190.628      4.15704  13.8049  0.106479  ?        ?         
1 1 1 29 6  1  o 10.2222  0.0781535 104.505      1.59781  104.484      2.26334  104.525      2.25596  10.2207  0.110723  10.2227  0.110341  
1 1 1 29 6  2  o 10.1763  0.0772607 103.567      1.57245  106.1        2.24745  101.137      2.20085  10.2995  0.109105  10.0557  0.109433  
1 1 1 29 6  3  o 26.4089  0.175711  697.774      9.28066  710.089      13.3278  686.181      12.9309  26.634   0.250203  26.1821  0.246941  
1 1 1 29 6  4  o 9.01407  0.0691561 81.2595      1.24676  81.4214      1.74427  81.0903      1.78272  9.02272  0.0966598 9.00432  0.0989924 
1 1 1 29 6  5  o 17.226   0.120225  296.799      4.142    295.44       5.76793  298.246      5.95174  17.1847  0.167822  17.2659  0.172355  
1 1 1 29 6  6  o 6.57142  0.0599615 43.1858      0.788065 43.038       1.09667  43.3437      1.13321  6.55999  0.0835877 6.58323  0.0860681 
1 1 1 29 6  7  f 5.78731  0.0581278 33.4947      0.672808 34.0849      0.958594 32.9216      0.94455  5.83794  0.0821004 5.73744  0.0823146 
1 1 1 29 6  8  o 9.85892  0.077578  97.207       1.52967  97.6958      2.14899  96.705       2.17787  9.88323  0.108719  9.83296  0.110743  
1 1 1 29 6  9  o 21.2773  0.146407  452.867      6.23029  452.195      8.80497  453.542      8.81697  21.2579  0.207099  21.2895  0.207073  
1 1 1 29 6  10 o 5.19157  0.0615084 26.954       0.638651 27.5079      0.914487 26.4266      0.892299 5.24448  0.0871857 5.14037  0.0867931 
1 1 1 29 6  11 o 9.91732  0.084451  98.3652      1.67506  94.4875      2.40392  102.025      2.33534  9.71918  0.123669  10.0996  0.115616  
1 1 1 29 6  12 o 13.0704  0.0945342 170.864      2.4712   170.749      3.46718  170.982      3.52309  13.0649  0.132691  13.0737  0.134739  
1 1 1 29 6  13 o 8.08136  0.0854572 65.3182      1.38122  64.3999      2.05904  66.0695      1.86241  8.02359  0.128312  8.12721  0.114578  
1 1 1 29 6  14 f 13.0779  0.0970969 171.067      2.53965  171.033      3.6072   171.1        3.57622  13.0753  0.13794   13.0779  0.136728  
1 1 1 29 6  15 o 11.0557  0.0903588 122.252      1.99797  119.912      2.81726  124.62       2.83391  10.9483  0.128662  11.1613  0.126953  
1 1 1 29 6  16 o 13.2196  0.10472   174.807      2.76871  177.263      3.96739  172.476      3.86568  13.3102  0.149036  13.1293  0.147216  
1 1 1 29 6  17 o 3.58007  0.10414   12.8209      0.745655 11.8826      1.0508   13.7726      1.05827  3.44595  0.152469  3.71005  0.142622  
1 1 1 29 6  18 o 6.04984  0.0918818 36.6109      1.11174  36.0002      1.52716  37.2993      1.62156  5.99839  0.127298  6.10551  0.132795  
1 1 1 29 6  19 f 6.88682  0.0859805 47.443       1.18426  46.8292      1.63324  48.1236      1.7197   6.8411   0.11937   6.93484  0.12399   
1 1 1 29 6  20 o 6.50799  0.087276  42.3702      1.13598  41.4351      1.59109  43.3425      1.62241  6.43453  0.123637  6.58097  0.123265  
1 1 1 29 6  21 o 7.54909  0.0839299 57.0127      1.26719  56.305       1.77953  57.7408      1.80489  7.5005   0.118627  7.59553  0.118813  
1 1 1 29 6  22 o 8.30443  0.0846461 68.9989      1.40588  69.3358      2.00009  68.6698      1.97654  8.32248  0.120162  8.28247  0.119321  
1 1 1 29 6  23 o 7.61181  0.0834031 57.976       1.2697   59.4561      1.81275  56.5506      1.77897  7.70596  0.11762   7.51525  0.118357  
1 1 1 29 6  24 o 5.9908   0.0925828 35.9235      1.10929  35.204       1.60278  36.5851      1.53685  5.92735  0.135202  6.0432   0.127155  
1 1 1 29 6  25 o 5.59971  0.09217   31.3918      1.03225  32.2668      1.46977  30.54        1.45007  5.67414  0.129515  5.52005  0.131346  
1 1 1 29 6  26 o 7.28861  0.0934581 53.1946      1.36236  54.8269      1.95478  51.6529      1.89973  7.39457  0.132177  7.17731  0.132343  
1 1 1 29 6  27 o 4.75375  0.103732  22.6427      0.986232 22.2528      1.35702  23.0791      1.43579  4.70832  0.144109  4.79422  0.149742  
1 1 1 29 6  28 o 3.55115  0.124991  12.6519      0.887724 12.7705      1.28208  12.5426      1.23038  3.56162  0.179985  3.53044  0.174252  
1 1 1 29 6  29 o 1.54447  0.25664   2.42455      0.792747 2.25234      1.09442  2.61466      1.14986  1.4486   0.374938  1.56     0.373037  
1 1 1 29 6  30 o 4.27705  0.119673  18.3705      1.0237   18.4705      1.38361  18.2495      1.52166  4.28137  0.161586  4.25202  0.178934  
1 1 1 29 6  31 o 4.26129  0.120651  18.25        1.02826  17.3423      1.41604  19.2624      1.49557  4.14337  0.17088   4.36663  0.17125   
1 1 1 29 6  32 o 2.01478  0.23302   4.14124      0.93897  2.88446      1.29391  5.53938      1.36473  1.6195   0.401066  2.3163   0.294593  
1 1 1 29 6  33 o 4.81418  0.113349  23.3038      1.09136  24.6627      1.53266  21.9061      1.55442  4.9406   0.155108  4.65249  0.167052  
1 1 1 29 6  34 o 1.26903  0.339512  1.76787      0.87884  2.69117      1.23846  0.831285     1.24733  1.5482   0.397865  1.04479  0.409923  
1 1 1 29 6  35 o 2.1218   0.220989  4.63484      0.937789 4.36354      1.33997  4.89529      1.31291  2.02263  0.331243  2.1526   0.30496   
1 1 1 29 6  36 o 1.16851  0.363821  1.51285      0.940334 1.85117      1.32101  1.16534      1.33884  1.28691  0.433305  1.12064  0.428057  
1 1 1 29 6  37 o 2.06836  0.239061  4.46657      0.98893  3.45916      1.38129  5.52597      1.41648  1.72351  0.406781  2.26689  0.312429  
1 1 1 29 6  38 o 1.45592  0.350259  2.4437       1.00899  2.99261      1.39631  1.84383      1.45966  1.56882  0.431677  1.26644  0.453331  
1 1 1 29 6  39 o 1.27796  0.369667  1.96855      0.998498 2.85895      1.43594  1.13495      1.38939  1.4895   0.446788  1.07311  0.428937  
1 1 1 29 6  40 o 1.24328  0.364079  1.90517      0.962761 1.80206      1.33116  2.01826      1.39412  1.19399  0.432366  1.24547  0.443314  
1 1 1 29 6  41 o 1.2256   0.380979  1.98286      1.03167  2.23433      1.38629  1.6707       1.54452  1.25105  0.442392  1.12338  0.450907  
1 1 1 29 6  42 o 0.718743 0.330159  -0.145164    1.09088  1.28298      1.58627  -1.4266      1.50259  1.00545  0.433541  0.691515 0.336916  
1 1 1 29 6  43 o 0.624493 0.301529  -0.891841    1.13385  -0.826287    1.65152  -0.950289    1.55945  0.743838 0.359992  0.71754  0.347824  
1 1 1 29 6  44 o 0.797504 0.358567  0.828133     1.19704  1.24283      1.67654  0.396878     1.70969  0.861568 0.400985  0.784184 0.376568  
1 1 1 29 6  45 o 1.08725  0.420851  2.99016      1.30556  4.78596      1.86667  1.2705       1.82667  1.13985  0.480022  0.771654 0.374802  
1 1 1 29 7  0  o 5.1186   0.0871272 26.2244      0.891356 26.2244      0.891356 26.2244      0.891356 5.11979  0.0615738 ?        ?         
1 1 1 29 7  1  o 21.3438  0.150725  455.718      6.43407  457.251      9.0189   454.129      9.18158  21.3759  0.21096   21.3025  0.215505  
1 1 1 29 7  2  o 10.9525  0.0799262 119.968      1.75078  121.486      2.52871  118.571      2.42641  11.0209  0.114723  10.888   0.111426  
1 1 1 29 7  3  o 6.72252  0.0580684 45.1946      0.780732 45.7589      1.12648  44.673       1.08304  6.76417  0.0832681 6.68345  0.0810243 
1 1 1 29 7  4  o 22.6033  0.161376  511.104      7.29527  515.968      10.4063  506.403      10.2301  22.7061  0.229153  22.4948  0.227388  
1 1 1 29 7  5  o 22.4409  0.155043  503.774      6.9586   498.756      9.86029  508.752      9.82172  22.3247  0.220838  22.5475  0.2178    
1 1 1 29 7  6  o 4.02433  0.0645649 16.1962      0.519661 17.2924      0.743788 15.1508      0.726344 4.15817  0.0894371 3.89215  0.093309  
1 1 1 29 7  7  o 6.71852  0.0614117 45.141       0.825192 43.689       1.1376   46.7534      1.19879  6.6094   0.0860597 6.83725  0.0876663 
1 1 1 29 7  8  f 35.6372  0.249971  1271.19      17.8165  1270.48      25.4873  1271.88      24.9152  35.609   0.357878  35.6301  0.349637  
1 1 1 29 7  9  o 15.2302  0.108716  232.001      3.31153  228.081      4.5672   236.345      4.80852  15.0997  0.151235  15.3706  0.156419  
1 1 1 29 7  10 o 6.96103  0.0649436 48.4594      0.904149 49.1218      1.27747  47.7944      1.27985  7.00821  0.0911409 6.91286  0.0925706 
1 1 1 29 7  11 o 5.74709  0.0626156 33.0314      0.719715 32.4724      1.01711  33.5921      1.01856  5.69804  0.0892506 5.79545  0.0878754 
1 1 1 29 7  12 o 22.7176  0.154961  516.34       7.0407   516.246      10.0771  516.429      9.84115  22.7097  0.221869  22.7143  0.216629  
1 1 1 29 7  13 o 15.7415  0.11359   247.863      3.57615  248.186      5.01308  247.53       5.10299  15.7497  0.159149  15.7287  0.162219  
1 1 1 29 7  14 o 15.5506  0.115673  241.891      3.59756  240.448      5.01681  243.418      5.16171  15.5019  0.161813  15.5971  0.16547   
1 1 1 29 7  15 o 16.1927  0.124228  262.303      4.02319  266.738      5.76051  258.079      5.62135  16.3259  0.176422  16.0588  0.175024  
1 1 1 29 7  16 o 9.31976  0.0870509 86.8757      1.62259  87.5251      2.29215  86.2234      2.29723  9.35357  0.122528  9.28372  0.123723  
1 1 1 29 7  17 o 10.2594  0.0932192 105.282      1.91274  106.756      2.69041  103.776      2.71987  10.3296  0.130228  10.1843  0.133533  
1 1 1 29 7  18 o 21.7125  0.164926  471.896      7.16191  483.766      10.1992  460.349      10.0592  21.9732  0.232083  21.4343  0.234651  
1 1 1 29 7  19 o 4.11446  0.103428  16.937       0.851101 16.5169      1.16298  17.4214      1.24889  4.0622   0.143146  4.17176  0.149683  
1 1 1 29 7  20 f 5.57409  0.0907635 31.0842      1.01185  32.4273      1.501    29.9655      1.36991  5.69186  0.131855  5.4718   0.125179  
1 1 1 29 7  21 o 2.52427  0.149912  6.38093      0.756836 6.66313      1.0606   6.08814      1.08033  2.57785  0.205714  2.46367  0.219252  
1 1 1 29 7  22 f 1.1092   0.314841  1.27127      0.730998 1.07114      1.03362  1.47154      1.03395  1.09288  0.382436  1.21318  0.382261  
1 1 1 29 7  23 f 2.52632  0.152496  6.39685      0.77051  6.17914      1.09407  6.61109      1.08532  2.47992  0.220586  2.56562  0.211511  
1 1 1 29 7  24 o 6.06365  0.0895811 36.8014      1.08638  36.3016      1.51077  37.3365      1.56332  6.01967  0.125486  6.10465  0.128043  
1 1 1 29 7  25 o 9.38111  0.092907  88.1097      1.74314  89.453       2.4341   86.6957      2.49747  9.44716  0.128827  9.29951  0.13428   
1 1 1 29 7  26 o 8.72253  0.0934495 76.1885      1.63023  77.627       2.30455  74.7477      2.30644  8.79848  0.130963  8.63328  0.133578  
1 1 1 29 7  27 o 5.33853  0.0965301 28.5505      1.03066  28.0046      1.4358   29.1307      1.48036  5.28266  0.135897  5.38762  0.137386  
1 1 1 29 7  28 o 1.7717   0.2186    3.1713       0.77459  2.83507      1.11839  3.48128      1.07384  1.6318   0.352686  1.84919  0.290354  
1 1 1 29 7  29 o 4.05952  0.117715  16.5394      0.955735 17.5886      1.38585  15.5878      1.31979  4.17897  0.165813  3.93378  0.167751  
1 1 1 29 7  30 o 1.51377  0.303797  2.43344      0.887355 1.21079      1.16556  4.1191       1.36857  1.14016  0.405397  1.96274  0.362244  
1 1 1 29 7  31 o 1.91121  0.23908   3.72804      0.913864 3.41475      1.28942  4.04424      1.2954   1.77264  0.375207  1.97287  0.328304  
1 1 1 29 7  32 o 1.00144  0.352313  0.948291     0.878204 0.750406     1.22173  1.15985      1.26325  1.03245  0.405524  1.13848  0.420266  
1 1 1 29 7  33 o 1.19948  0.340015  1.55944      0.853117 2.15958      1.1651   0.86574      1.25263  1.39806  0.397687  1.05941  0.411786  
1 1 1 29 7  34 o 1.84141  0.244802  3.50223      0.901561 3.97273      1.27186  3.02707      1.27816  1.90653  0.34633   1.64097  0.393866  
1 1 1 29 7  35 o 0.884259 0.346896  0.572016     0.893196 1.28728      1.24508  -0.186392    1.28207  1.14391  0.417766  0.856995 0.379024  
1 1 1 29 7  36 o 1.59645  0.315832  2.81378      0.972541 2.77758      1.34608  2.85332      1.40668  1.5392   0.423979  1.55536  0.435233  
1 1 1 29 7  37 o 1.24917  0.362821  1.77584      0.959936 1.9119       1.35158  1.63734      1.36361  1.29344  0.43829   1.22516  0.438201  
1 1 1 29 7  38 o 2.42304  0.211649  6.13197      1.02567  5.94684      1.45768  6.31352      1.44347  2.3287   0.31298   2.40826  0.299691  
1 1 1 29 7  39 o 1.74589  0.286158  3.35594      0.999203 2.36499      1.42211  4.32215      1.40423  1.35695  0.449581  1.89325  0.384236  
1 1 1 29 7  40 o 0.626215 0.295401  -0.792799    0.977224 -0.840173    1.3791   -0.745024    1.38493  0.751338 0.353397  0.763177 0.357893  
1 1 1 29 7  41 o 1.27137  0.38002   2.14041      1.04007  1.79494      1.40267  2.56232      1.55012  1.14477  0.437889  1.30738  0.467249  
1 1 1 29 7  42 f 0.677861 0.317878  -0.420769    1.09237  -0.55184     1.5461   -0.290125    1.54358  0.768975 0.366554  0.793705 0.373486  
1 1 1 29 7  43 o 1.40312  0.401683  3.0415       1.18497  2.92489      1.67784  3.15755      1.67376  1.21836  0.47596   1.26594  0.480051  
1 1 1 29 7  44 o 1.00739  0.399452  1.97504      1.19588  -0.475222    1.63391  4.80204      1.75503  0.707986 0.346184  1.4048   0.497662  
1 1 1 29 8  0  o 7.37128  0.0920085 54.3645      1.35597  54.3645      1.35597  54.3645      1.35597  7.37225  0.0650398 ?        ?         
1 1 1 29 8  1  o 5.14475  0.054397  26.4696      0.559718 26.7742      0.799075 26.1762      0.784254 5.17414  0.0772181 5.11605  0.0766464 
1 1 1 29 8  2  o 17.3044  0.120611  299.506      4.17419  300.124      5.97926  298.918      5.82995  17.3202  0.172609  17.2856  0.168636  
1 1 1 29 8  3  o 14.9602  0.109177  223.848      3.26662  225.059      4.75488  222.766      4.49542  14.9991  0.158505  14.9228  0.150622  
1 1 1 29 8  4  o 14.1642  0.104142  200.655      2.95018  198.824      4.23593  202.381      4.11124  14.0981  0.15023   14.2238  0.144519  
1 1 1 29 8  5  o 18.8971  0.13303   357.192      5.02774  354.336      7.22882  359.868      6.99742  18.8186  0.192066  18.9653  0.184479  
1 1 1 29 8  6  o 25.0047  0.176292  625.525      8.81626  625.083      12.3248  625.989      12.6164  24.9901  0.246594  25.0077  0.25225   
1 1 1 29 8  7  o 14.298   0.105968  204.467      3.03025  203.944      4.38336  204.945      4.19377  14.2783  0.153497  14.3136  0.146496  
1 1 1 29 8  8  o 21.4914  0.15082   462.039      6.48267  457.417      9.08287  466.838      9.25532  21.3799  0.212416  21.5988  0.214256  
1 1 1 29 8  9  o 5.41289  0.0743025 29.3019      0.804383 28.8841      1.08638  29.809       1.19675  5.37394  0.101078  5.45923  0.109608  
1 1 1 29 8  10 o 17.1456  0.118541  294.044      4.06492  292.117      5.66476  296.09       5.83643  17.0873  0.16576   17.2029  0.169636  
1 1 1 29 8  11 o 22.6126  0.155608  511.571      7.0374   506.476      9.87301  516.833      10.0337  22.4944  0.219455  22.7231  0.220782  
1 1 1 29 8  12 o 23.1528  0.159325  536.331      7.37764  541.805      10.5357  531.065      10.3343  23.2643  0.226435  23.0328  0.224339  
1 1 1 29 8  13 o 9.22183  0.0752529 85.0526      1.38794  84.9306      1.96976  85.1728      1.956    9.21464  0.106882  9.22779  0.105984  
1 1 1 29 8  14 o 9.6074   0.0849539 92.3175      1.63237  93.0261      2.34433  91.6506      2.27431  9.64336  0.121551  9.57187  0.118802  
1 1 1 29 8  15 o 14.2964  0.108884  204.45       3.11329  204.506      4.34946  204.391      4.45828  14.2963  0.152118  14.2921  0.15597   
1 1 1 29 8  16 o 6.37275  0.0809076 40.6195      1.03121  41.203       1.48802  40.0802      1.43038  6.41773  0.11593   6.32974  0.112989  
1 1 1 29 8  17 o 12.4987  0.105943  156.274      2.64832  156.542      3.65309  155.978      3.84483  12.5074  0.146037  12.4844  0.153986  
1 1 1 29 8  18 o 16.3491  0.127271  267.465      4.16155  270.268      5.89784  264.685      5.87288  16.4293  0.179491  16.2586  0.180608  
1 1 1 29 8  19 o 8.68316  0.0874614 75.4248      1.51888  77.0209      2.20098  73.9736      2.09872  8.77284  0.125443  8.59771  0.122051  
1 1 1 29 8  20 o 7.03352  0.0834406 49.4899      1.17376  48.5504      1.63009  50.5015      1.69152  6.96513  0.117018  7.1036   0.11906   
1 1 1 29 8  21 o 3.13938  0.122473  9.86548      0.768979 10.0493      1.07301  9.67134      1.10259  3.16702  0.169404  3.10659  0.17746   
1 1 1 29 8  22 o 4.95271  0.0921703 24.5463      0.912986 24.0209      1.31672  25.0327      1.26703  4.89749  0.134428  4.99999  0.126703  
1 1 1 29 8  23 o 2.64078  0.144796  6.98898      0.76475  6.40218      1.04842  7.65621      1.11797  2.52463  0.207638  2.76114  0.202447  
1 1 1 29 8  24 o 2.833    0.142447  8.04537      0.807102 8.86174      1.11785  7.15632      1.16654  2.97056  0.188154  2.66748  0.218659  
1 1 1 29 8  25 o 3.81272  0.117152  14.5652      0.893333 14.5101      1.24364  14.6241      1.28406  3.80193  0.163553  3.81641  0.168229  
1 1 1 29 8  26 o 10.3171  0.0939036 106.599      1.93762  106.035      2.74636  107.159      2.7341   10.2819  0.133554  10.3365  0.132255  
1 1 1 29 8  27 f 1.28321  0.299942  1.74159      0.756728 2.79266      1.07529  0.71029      1.06513  1.62294  0.341989  0.994743 0.381268  
1 1 1 29 8  28 o 1.2853   0.304282  1.75252      0.771054 2.3357       1.10265  1.19448      1.07861  1.47707  0.372961  1.12591  0.390988  
1 1 1 29 8  29 f 0.762072 0.320249  0.108338     0.827937 -0.0902679   1.20357  0.286739     1.14071  0.867973 0.37599   0.917664 0.380165  
1 1 1 29 8  30 o 3.94179  0.12368   15.6122      0.975042 17.0077      1.30094  13.8235      1.47285  4.10781  0.158349  3.69491  0.199307  
1 1 1 29 8  31 o 5.76771  0.110253  33.4121      1.27181  32.6086      1.832    34.1596      1.76699  5.6837   0.161163  5.82037  0.151794  
1 1 1 29 8  32 o 2.1349   0.209017  4.63666      0.892458 3.40779      1.23622  5.9742       1.28973  1.77216  0.361311  2.41022  0.267553  
1 1 1 29 8  33 o 3.83983  0.124532  14.8579      0.956364 14.5638      1.31868  15.1843      1.38906  3.78805  0.174058  3.86604  0.179649  
1 1 1 29 8  34 o 1.48914  0.309712  2.41491      0.891826 3.01364      1.2433   1.78036      1.27996  1.63821  0.385464  1.28119  0.42652   
1 1 1 29 8  35 o 4.04482  0.128909  16.5331      1.04283  16.5918      1.45989  16.4719      1.49014  4.0312   0.181074  4.01453  0.185594  
1 1 1 29 8  36 o 2.6644   0.186108  7.28343      0.991732 7.82589      1.36517  6.67728      1.44311  2.73443  0.249627  2.50749  0.28776   
1 1 1 29 8  37 o 1.88368  0.262179  3.75628      0.987721 5.36369      1.37946  2.0652       1.41491  2.22691  0.309726  1.32942  0.448441  
1 1 1 29 8  38 o 0.816218 0.346835  0.249168     0.989109 -0.855336    1.41711  1.2984       1.3812   0.785522 0.366776  1.12253  0.433209  
1 1 1 29 8  39 f 1.09683  0.372535  1.40521      0.976455 0.290944     1.38302  2.51274      1.37882  0.915794 0.399905  1.39589  0.441634  
1 1 1 29 8  40 o 0.83398  0.353178  0.425637     1.0198   1.73737      1.41298  -1.00058     1.47335  1.16519  0.441298  0.757549 0.359625  
1 1 1 29 8  41 o 0.673273 0.31207   -0.402772    1.00225  0.448491     1.3755   -1.36629     1.46338  0.890684 0.393428  0.704946 0.34077   
1 1 1 29 8  42 o 1.08561  0.400322  1.76004      1.14566  2.6444       1.66478  0.964444     1.57903  1.21448  0.474173  0.939166 0.417325  
1 1 1 29 8  43 o 0.687078 0.323613  -0.252435    1.16411  -0.475681    1.66082  -0.0368324   1.63214  0.75437  0.36438   0.788029 0.375869  
1 1 1 29 8  44 o 0.738763 0.341759  0.389476     1.19451  1.94047      1.66183  -1.26846     1.71816  0.946615 0.424139  0.67304  0.334136  
1 1 1 29 9  0  o 10.5393  0.106477  111.12       2.24386  111.12       2.24386  111.12       2.24386  10.5403  0.0752744 ?        ?         
1 1 1 29 9  1  o 13.5832  0.0943847 184.528      2.56409  182.756      3.55651  186.445      3.7001   13.517   0.131557  13.6526  0.135509  
1 1 1 29 9  2  o 4.26989  0.057722  18.2328      0.492933 19.449       0.763534 17.3637      0.645469 4.40985  0.0865714 4.16679  0.077454  
1 1 1 29 9  3  o 2.26434  0.0788067 5.12772      0.356891 5.32733      0.516241 4.94499      0.493937 2.30788  0.111843  2.22353  0.111071  
1 1 1 29 9  4  o 11.899   0.087547  141.603      2.08345  137.995      2.88068  145.559      3.01691  11.7458  0.122626  12.0634  0.125044  
1 1 1 29 9  5  o 5.37272  0.0570609 28.8675      0.613145 27.8065      0.876065 29.8863      0.85844  5.27291  0.0830722 5.46658  0.078517  
1 1 1 29 9  6  o 13.0794  0.0974975 171.094      2.55041  167.448      3.54223  175.019      3.67508  12.9383  0.136889  13.2275  0.138918  
1 1 1 29 9  7  o 13.6413  0.0972386 186.111      2.65292  183.238      3.79179  188.866      3.71304  13.5345  0.140079  13.7409  0.135109  
1 1 1 29 9  8  o 21.5725  0.148151  465.534      6.39198  460.064      8.94372  471.246      9.13868  21.4416  0.20856   21.7004  0.210564  
1 1 1 29 9  9  o 15.714   0.108459  246.979      3.40865  242.372      4.74963  251.872      4.89475  15.5652  0.152572  15.8672  0.154241  
1 1 1 29 9  10 o 7.86767  0.0740395 61.9066      1.16504  62.9122      1.6825   60.9803      1.6148   7.93088  0.106073  7.8082   0.103404  
1 1 1 29 9  11 o 8.8375   0.0750301 78.1104      1.32616  79.6054      1.90256  76.6976      1.84951  8.92115  0.106632  8.75672  0.105605  
1 1 1 29 9  12 o 6.64604  0.0682129 44.1742      0.906691 45.5868      1.28389  42.7687      1.28063  6.75115  0.0950864 6.53911  0.0979209 
1 1 1 29 9  13 f 4.01975  0.0808802 16.1607      0.650236 16.246       0.912082 16.0725      0.927251 4.03007  0.11316   4.00846  0.115662  
1 1 1 29 9  14 o 7.99418  0.079698  63.9166      1.27424  64.959       1.74149  62.7156      1.86939  8.05857  0.108052  7.91798  0.118047  
1 1 1 29 9  15 o 19.1792  0.139533  368.033      5.35226  366.991      7.64885  369.033      7.49207  19.1467  0.199743  19.2004  0.195102  
1 1 1 29 9  16 o 7.50211  0.081932  56.2929      1.22933  56.3194      1.78869  56.2692      1.69236  7.50303  0.119198  7.49985  0.112826  
1 1 1 29 9  17 o 10.1231  0.100484  102.513      2.03443  103.818      2.91502  101.274      2.84066  10.1855  0.143096  10.06    0.141186  
1 1 1 29 9  18 o 7.22724  0.0824566 52.2484      1.19187  51.2445      1.6219   53.427       1.75734  7.15651  0.113316  7.30706  0.12025   
1 1 1 29 9  19 o 5.9078   0.085436  34.9151      1.00948  35.8458      1.42002  33.9641      1.43534  5.98499  0.118631  5.82563  0.123192  
1 1 1 29 9  20 f 4.63021  0.0950676 21.4504      0.880367 20.3913      1.24722  22.5021      1.24284  4.5131   0.138178  4.74121  0.131068  
1 1 1 29 9  21 o 4.91553  0.0873516 24.1754      0.858759 25.1662      1.20914  23.167       1.21987  5.01399  0.120577  4.81045  0.126793  
1 1 1 29 9  22 o 8.6985   0.0841303 75.7111      1.46361  78.1184      2.10891  73.4741      2.03291  8.83291  0.119378  8.56638  0.118656  
1 1 1 29 9  23 o 3.34144  0.120936  11.1829      0.808201 11.7186      1.09511  10.5421      1.19771  3.41852  0.160173  3.2409   0.18478   
1 1 1 29 9  24 o 5.0976   0.0923831 26.0136      0.941864 24.2006      1.31311  27.9348      1.35172  4.91385  0.133613  5.27985  0.128008  
1 1 1 29 9  25 o 2.60021  0.156692  6.78566      0.814867 6.83139      1.14301  6.73839      1.16202  2.60435  0.219442  2.58611  0.224665  
1 1 1 29 9  26 o 7.82529  0.0874763 61.3178      1.36905  62.3209      1.95064  60.344       1.92195  7.88367  0.123714  7.7576   0.123876  
1 1 1 29 9  27 o 2.45177  0.158421  6.04188      0.776825 5.93408      1.09016  6.15309      1.10724  2.42362  0.224903  2.468    0.224318  
1 1 1 29 9  28 o 1.03903  0.326996  1.09879      0.756902 1.87204      1.07921  0.350221     1.06185  1.3295   0.384233  0.906627 0.369958  
1 1 1 29 9  29 o 1.06401  0.341083  1.15051      0.820456 1.68236      1.17591  0.645996     1.14529  1.27511  0.408297  0.99638  0.392227  
1 1 1 29 9  30 o 3.85786  0.125951  14.9596      0.971807 15.5236      1.31971  14.2915      1.43638  3.92179  0.168253  3.75791  0.191114  
1 1 1 29 9  31 o 4.66653  0.1205    21.8897      1.12463  21.8125      1.55834  21.9736      1.62467  4.64683  0.167678  4.66209  0.174243  
1 1 1 29 9  32 o 1.81454  0.244154  3.37105      0.886056 2.85036      1.25846  3.88292      1.24775  1.60824  0.393856  1.90105  0.340495  
1 1 1 29 9  33 o 1.86625  0.231227  3.57656      0.863058 3.51942      1.17665  3.64309      1.26976  1.79966  0.339327  1.82333  0.36104   
1 1 1 29 9  34 f 0.925566 0.349938  0.720788     0.887215 1.73996      1.26379  -0.269615    1.24582  1.26802  0.423818  0.834291 0.37071   
1 1 1 29 9  35 o 0.768101 0.328022  0.090428     0.892561 -0.303769    1.25538  0.493402     1.26928  0.827708 0.369807  0.969523 0.401294  
1 1 1 29 9  36 o 0.618967 0.292379  -0.982644    0.963088 -0.975523    1.33679  -0.990329    1.38872  0.76127  0.355754  0.777041 0.36292   
1 1 1 29 9  37 o 1.2016   0.368989  1.64915      0.971738 1.90022      1.32629  1.35817      1.42781  1.28156  0.434171  1.15969  0.442319  
1 1 1 29 9  38 o 2.73282  0.187887  7.75776      1.02693  6.24023      1.45091  9.28107      1.45368  2.37932  0.304901  2.94954  0.246424  
1 1 1 29 9  39 o 0.624327 0.292901  -0.715964    0.931107 -0.4428      1.29239  -1.01077     1.34261  0.784267 0.359882  0.732906 0.345882  
1 1 1 29 9  40 o 0.823819 0.35201   0.381823     1.02888  0.385717     1.43946  0.377755     1.47117  0.912363 0.402806  0.917062 0.405748  
1 1 1 29 9  41 o 1.2474   0.371151  2.05489      0.993625 2.19115      1.37108  1.90417      1.442    1.22902  0.439417  1.15762  0.443643  
1 1 1 29 9  42 o 0.74596  0.340889  0.0611373    1.14626  -1.75524     1.64978  1.75633      1.5938   0.687207 0.338466  1.04861  0.442667  
1 1 1 29 9  43 o 0.739965 0.339458  0.305275     1.14897  -1.47704     1.60885  2.16044      1.6414   0.661752 0.327432  1.02196  0.440838  
1 1 1 29 9  44 o 0.681623 0.322829  -0.0528479   1.18113  -0.780963    1.63141  0.749228     1.71227  0.688114 0.338948  0.813026 0.386779  
1 1 1 29 10 0  o 1.33264  0.196733  1.88843      0.490303 1.88843      0.490303 1.88843      0.490303 1.35554  0.13067   ?        ?         
1 1 1 29 10 1  o 19.6724  0.134936  387.109      5.30904  386.458      7.49679  387.764      7.51948  19.6531  0.190728  19.6863  0.190983  
1 1 1 29 10 2  o 7.47186  0.0635361 55.832       0.949464 56.4015      1.36881  55.3038      1.31811  7.50962  0.0911372 7.43621  0.088628  
1 1 1 29 10 3  o 14.4072  0.0989559 207.599      2.85136  207.283      4.02967  207.915      4.03521  14.3952  0.139966  14.4171  0.139945  
1 1 1 29 10 4  o 17.5053  0.120908  306.504      4.23309  302.581      5.91672  310.617      6.05879  17.391   0.170108  17.6204  0.171926  
1 1 1 29 10 5  o 11.5623  0.0821534 133.701      1.89977  132.346      2.6652   135.099      2.70868  11.503   0.115848  11.622   0.116532  
1 1 1 29 10 6  o 19.5362  0.13741   381.773      5.36897  377.491      7.51447  386.238      7.67377  19.4235  0.193437  19.6472  0.19529   
1 1 1 29 10 7  o 19.563   0.134806  382.82       5.27443  380.814      7.59542  384.689      7.33     19.5085  0.194669  19.608   0.186914  
1 1 1 29 10 8  o 5.39156  0.06772   29.0712      0.730233 29.7918      1.12442  28.5456      0.960304 5.45769  0.103012  5.34244  0.089875  
1 1 1 29 10 9  o 20.1465  0.139105  406.025      5.60494  402.753      7.88023  409.374      7.97378  20.0615  0.196402  20.2257  0.19712   
1 1 1 29 10 10 o 2.63421  0.0977898 6.94038      0.515197 6.93999      0.727732 6.94077      0.729467 2.63388  0.138148  2.63402  0.13847   
1 1 1 29 10 11 o 28.9093  0.195277  836.412      11.2907  841.29       15.8913  831.439      16.0447  28.9822  0.274156  28.8113  0.278444  
1 1 1 29 10 12 o 11.0232  0.084064  121.53       1.85331  122.112      2.60229  120.93       2.64007  11.0488  0.117764  10.9951  0.120057  
1 1 1 29 10 13 o 8.25688  0.0773961 68.1854      1.2781   67.3333      1.74297  69.1766      1.87978  8.20461  0.106219  8.31601  0.113022  
1 1 1 29 10 14 o 4.58879  0.0839896 21.0607      0.770821 20.9438      1.06271  21.1906      1.11974  4.57565  0.116127  4.60245  0.121646  
1 1 1 29 10 15 o 8.13645  0.0822607 66.2143      1.33862  63.0399      1.80069  70.1358      2.00136  7.93832  0.113417  8.37302  0.119513  
1 1 1 29 10 16 o 5.42085  0.0865291 29.3926      0.938123 28.3035      1.40588  30.2668      1.25956  5.31863  0.132165  5.50039  0.114498  
1 1 1 29 10 17 o 4.29981  0.0991005 18.4952      0.852226 17.7947      1.20043  19.2071      1.21009  4.21674  0.142341  4.381    0.138107  
1 1 1 29 10 18 f 9.0182   0.0887325 81.3575      1.60042  80.3757      2.19857  82.4641      2.33417  8.96211  0.122659  9.07748  0.128569  
1 1 1 29 10 19 o 4.84548  0.0927447 23.4897      0.898786 24.4789      1.24402  22.4094      1.29997  4.94551  0.125773  4.73145  0.137376  
1 1 1 29 10 20 o 4.48315  0.0941885 20.1099      0.844524 19.7848      1.14783  20.4936      1.24699  4.44565  0.129096  4.52425  0.137812  
1 1 1 29 10 21 o 2.59901  0.138351  6.76462      0.719153 7.12869      0.982296 6.34407      1.05574  2.66651  0.184191  2.51451  0.20993   
1 1 1 29 10 22 o 2.01369  0.180659  4.06773      0.727584 4.03464      0.988902 4.10678      1.07431  2.00279  0.246881  2.01967  0.265963  
1 1 1 29 10 23 o 2.78299  0.132967  7.76043      0.740093 8.72067      1.03166  6.74227      1.06231  2.948    0.174976  2.59046  0.205043  
1 1 1 29 10 24 o 2.90191  0.135093  8.44185      0.784057 7.8869       1.09554  9.02456      1.12261  2.80114  0.195551  2.997    0.187288  
1 1 1 29 10 25 o 4.54442  0.104292  20.6865      0.947891 22.2327      1.40137  19.3824      1.28697  4.70701  0.14886   4.39519  0.146406  
1 1 1 29 10 26 o 4.12771  0.104707  17.0724      0.864402 19.0179      1.25387  15.3105      1.19328  4.35261  0.144037  3.90445  0.15281   
1 1 1 29 10 27 o 1.24539  0.30473   1.64338      0.753845 2.16548      1.07269  1.13392      1.05963  1.42491  0.372316  1.10608  0.387203  
1 1 1 29 10 28 o 3.92517  0.112869  15.4556      0.886062 14.7912      1.24675  16.1337      1.25951  3.83342  0.162616  4.00445  0.157263  
1 1 1 29 10 29 o 1.79734  0.227343  3.27933      0.817224 4.55571      1.18489  2.12132      1.12862  2.11035  0.280735  1.40356  0.388905  
1 1 1 29 10 30 o 5.22334  0.112987  27.4016      1.18034  27.4886      1.63869  27.3077      1.70159  5.22095  0.156934  5.20186  0.163556  
1 1 1 29 10 31 o 2.86019  0.161854  8.25859      0.925867 8.51215      1.28601  7.98573      1.33405  2.89144  0.222383  2.79687  0.238491  
1 1 1 29 10 32 o 5.10517  0.110504  26.1917      1.12829  24.8886      1.57356  27.5707      1.61867  4.96333  0.158519  5.22513  0.154893  
1 1 1 29 10 33 o 1.32509  0.319828  1.91674      0.839164 1.46406      1.17445  2.38891      1.19946  1.19109  0.408529  1.46187  0.399143  
1 1 1 29 10 34 o 3.51857  0.139571  12.5227      0.982183 12.8614      1.39199  12.187       1.38606  3.54615  0.196267  3.4501   0.200873  
1 1 1 29 10 35 f 0.933691 0.35598   0.738026     0.924503 0.505999     1.26893  1.00053      1.34969  0.97012  0.401372  1.0896   0.426635  
1 1 1 29 10 36 o 2.43376  0.201219  6.10614      0.979437 7.11064      1.38327  5.09622      1.387    2.59717  0.266304  2.1746   0.31891   
1 1 1 29 10 37 o 1.54591  0.332049  2.70316      0.997094 1.74211      1.37064  3.78347      1.45319  1.24226  0.439826  1.78558  0.414538  
1 1 1 29 10 38 o 2.67711  0.187136  7.45507      1.00197  8.21148      1.40006  6.66093      1.43456  2.76538  0.253141  2.46346  0.291168  
1 1 1 29 10 39 o 1.47069  0.334955  2.56008      0.963515 1.96769      1.32081  3.23391      1.40867  1.2458   0.432659  1.57811  0.433296  
1 1 1 29 10 40 o 0.886767 0.365158  0.693476     1.04389  1.12428      1.52214  0.310938     1.43435  1.03418  0.434395  0.893342 0.397312  
1 1 1 29 10 41 o 0.953904 0.365589  1.10028      0.979264 1.34637      1.37931  0.850165     1.39054  1.03087  0.421318  0.942903 0.406233  
1 1 1 29 10 42 o 0.866187 0.369222  0.834395     1.12714  1.58443      1.60178  0.098718     1.58637  1.01534  0.4367    0.823747 0.385712  
1 1 1 29 10 43 o 0.622602 0.301179  -0.683849    1.15092  0.156125     1.61874  -1.54258     1.63671  0.775912 0.371095  0.656689 0.326032  
1 1 1 29 10 44 o 0.871984 0.379104  1.37894      1.23202  0.264359     1.76536  2.43722      1.72019  0.762483 0.369755  0.977806 0.434984  
1 1 1 29 11 0  o 0.718753 0.329449  0.754112     0.513665 0.754112     0.513665 0.754112     0.513665 0.759051 0.265004  ?        ?         
1 1 1 29 11 1  o 3.73949  0.0596739 13.9845      0.4463   14.4379      0.646431 13.5716      0.616929 3.79951  0.0850676 3.68376  0.0837362 
1 1 1 29 11 2  f 19.6985  0.13378   388.134      5.27054  387.092      7.51558  389.143      7.39326  19.6692  0.19105   19.7214  0.187442  
1 1 1 29 11 3  o 2.14902  0.0804382 4.61872      0.345726 4.58884      0.490472 4.64822      0.487402 2.14194  0.114492  2.15576  0.113046  
1 1 1 29 11 4  o 21.7379  0.15033   472.697      6.53571  471.071      9.32223  474.269      9.16554  21.6965  0.214833  21.7703  0.210506  
1 1 1 29 11 5  o 16.7835  0.116663  281.742      3.91601  279.162      5.49495  284.405      5.58223  16.7046  0.164474  16.8607  0.16554   
1 1 1 29 11 6  o 13.1209  0.0957232 172.183      2.51195  167.719      3.47314  177.079      3.63741  12.9487  0.134111  13.3051  0.136692  
1 1 1 29 11 7  o 10.255   0.0786343 105.176      1.61279  104.726      2.31128  105.603      2.25155  10.2324  0.112939  10.2753  0.109562  
1 1 1 29 11 8  o 11.9805  0.0906395 143.554      2.17181  142.749      3.09671  144.333      3.04671  11.9459  0.129614  12.0121  0.126819  
1 1 1 29 11 9  o 19.6193  0.137317  385.063      5.38816  387.862      7.76163  382.459      7.48586  19.6866  0.19713   19.5494  0.19146   
1 1 1 29 11 10 f 14.652   0.103555  214.728      3.03456  213.059      4.22733  216.502      4.35872  14.5934  0.144838  14.7107  0.148148  
1 1 1 29 11 11 o 17.6394  0.123927  311.249      4.37198  312.991      6.0812   309.385      6.2899   17.6859  0.171922  17.5833  0.17886   
1 1 1 29 11 12 o 14.0072  0.104037  196.249      2.91453  197.128      4.13999  195.385      4.10378  14.0368  0.147469  13.9746  0.14683   
1 1 1 29 11 13 o 10.3011  0.0864683 106.132      1.78144  102.875      2.4053   110.089      2.6513   10.141   0.118593  10.4903  0.126369  
1 1 1 29 11 14 o 1.94715  0.161546  3.79405      0.629107 3.07607      0.921225 4.4215       0.86119  1.75224  0.262871  2.10154  0.204895  
1 1 1 29 11 15 o 4.92903  0.0851387 24.3006      0.839303 23.3228      1.21949  25.1806      1.15689  4.82822  0.126288  5.01703  0.115296  
1 1 1 29 11 16 o 8.48489  0.0877229 72.0122      1.48864  71.2547      2.05209  72.8535      2.16276  8.43912  0.121582  8.53309  0.126728  
1 1 1 29 11 17 o 7.42855  0.0861695 55.2005      1.28023  55.7073      1.88611  54.7675      1.74334  7.46121  0.126394  7.39834  0.11782   
1 1 1 29 11 18 o 3.88712  0.102562  15.1176      0.797343 16.535       1.08616  13.4611      1.17421  4.06453  0.133615  3.66661  0.160121  
1 1 1 29 11 19 o 3.43892  0.11033   11.8345      0.758834 11.0997      1.02064  12.7427      1.13471  3.32937  0.153278  3.56709  0.159053  
1 1 1 29 11 20 o 4.00279  0.101288  16.0334      0.810866 16.015       1.09466  16.0557      1.20704  3.99933  0.136855  4.00386  0.150735  
1 1 1 29 11 21 o 3.43715  0.109329  11.8256      0.75156  11.2022      1.0264   12.5461      1.10352  3.34373  0.153481  3.53851  0.155931  
1 1 1 29 11 22 o 6.135    0.0841629 37.6659      1.03268  36.7578      1.40618  38.729       1.52147  6.05861  0.116048  6.21846  0.122335  
1 1 1 29 11 23 o 3.1933   0.11874   10.2141      0.758342 10.4892      1.05199  9.91662      1.09417  3.23362  0.162664  3.14342  0.174041  
1 1 1 29 11 24 o 7.66291  0.0873285 58.7833      1.33838  59.5606      1.86797  57.9633      1.91856  7.70956  0.121146  7.60482  0.126141  
1 1 1 29 11 25 o 1.49278  0.242349  2.24979      0.723548 2.80571      1.02377  1.695        1.02273  1.63355  0.324894  1.27611  0.375744  
1 1 1 29 11 26 o 5.40073  0.0931739 29.2168      1.00641  29.5246      1.41888  28.9052      1.42773  5.4247   0.13078   5.36719  0.133005  
1 1 1 29 11 27 o 4.37846  0.102999  19.2152      0.901956 18.9979      1.26103  19.4428      1.2906   4.34878  0.144987  4.39917  0.146686  
1 1 1 29 11 28 o 2.77169  0.147347  7.72601      0.816802 7.78743      1.13869  7.66091      1.17231  2.77541  0.205139  2.7516   0.213024  
1 1 1 29 11 29 o 1.71708  0.228457  2.99501      0.78456  3.54787      1.1479   2.51034      1.07478  1.85691  0.309087  1.52597  0.357961  
1 1 1 29 11 30 o 2.64886  0.181884  7.09931      0.963569 8.84477      1.38967  5.4831       1.33723  2.94473  0.235959  2.30708  0.289809  
1 1 1 29 11 31 o 1.68251  0.252436  2.8994       0.849451 3.0047       1.15493  2.7753       1.25376  1.66389  0.357342  1.58889  0.395595  
1 1 1 29 11 32 o 0.734368 0.319456  -0.0822041   0.875762 -1.20269     1.20694  1.1637       1.2727   0.702363 0.330432  1.13567  0.421312  
1 1 1 29 11 33 o 2.67333  0.164311  7.24947      0.878517 6.25836      1.22752  8.29016      1.25785  2.46113  0.249383  2.84234  0.221271  
1 1 1 29 11 34 f 0.538729 0.260691  -1.32881     0.864935 -1.24036     1.22022  -1.41813     1.22621  0.69671  0.329102  0.680171 0.324748  
1 1 1 29 11 35 o 4.65423  0.121767  21.8915      1.13347  24.0245      1.58887  19.6811      1.61744  4.85533  0.163621  4.38344  0.184495  
1 1 1 29 11 36 o 1.42431  0.339628  2.28666      0.955215 3.30006      1.35868  1.29619      1.34321  1.68214  0.407557  1.14583  0.431279  
1 1 1 29 11 37 o 3.02638  0.179218  9.42894      1.08477  9.07817      1.51651  9.79646      1.55229  2.92406  0.259316  3.04026  0.255289  
1 1 1 29 11 38 o 1.21626  0.363215  1.76323      0.950406 0.918186     1.31754  2.67996      1.37228  1.01942  0.413438  1.45101  0.43708   
1 1 1 29 11 39 o 0.717161 0.317907  -0.0475368   0.908935 -0.249914    1.24921  0.180142     1.325    0.791591 0.359984  0.874583 0.38625   
1 1 1 29 11 40 o 2.12939  0.2609    5.09577      1.11112  4.30387      1.58295  5.86488      1.56002  1.74556  0.45051   2.18102  0.357634  
1 1 1 29 11 41 o 1.48778  0.363496  2.94951      1.07386  3.48317      1.44351  2.28818      1.60693  1.51164  0.446812  1.19254  0.46581   
1 1 1 29 11 42 o 1.31983  0.405829  2.69802      1.17494  2.55433      1.59555  2.86824      1.73663  1.18094  0.463563  1.21729  0.481778  
1 1 1 29 11 43 o 1.28039  0.411698  2.96235      1.19468  1.37764      1.67796  4.59157      1.70135  0.889589 0.408988  1.42452  0.491401  
1 1 1 29 11 44 o 0.568246 0.279892  -0.996853    1.14233  -1.79477     1.56371  -0.0837139   1.67281  0.595389 0.299268  0.708397 0.347362  
1 1 1 29 12 0  o 11.9098  0.11886   141.901      2.83057  141.901      2.83057  141.901      2.83057  11.911   0.0840288 ?        ?         
1 1 1 29 12 1  o 12.6378  0.0890618 159.734      2.2511   158.465      3.13107  161.092      3.23872  12.5868  0.124379  12.6906  0.127603  
1 1 1 29 12 2  o 18.1184  0.124979  328.355      4.52887  330.381      6.43999  326.373      6.37015  18.172   0.177196  18.0615  0.176346  
1 1 1 29 12 3  o 23.687   0.161621  561.297      7.65663  566.444      10.918   556.316      10.7404  23.7903  0.229462  23.5768  0.227775  
1 1 1 29 12 4  o 27.9349  0.194178  780.817      10.8487  777.532      15.2903  784.147      15.3949  27.8675  0.274341  27.9857  0.275049  
1 1 1 29 12 5  o 6.74701  0.0649355 45.5252      0.87624  44.9047      1.30062  46.041       1.18572  6.70057  0.0970528 6.78492  0.087379  
1 1 1 29 12 6  o 12.1446  0.0933598 147.513      2.26763  144.788      3.21081  150.225      3.20304  12.0309  0.13344   12.2548  0.130685  
1 1 1 29 12 7  o 22.9984  0.159295  529.174      7.32706  530.506      10.516   527.917      10.2147  23.0216  0.228394  22.9659  0.222387  
1 1 1 29 12 8  o 11.1594  0.0859632 124.551      1.9186   125.346      2.75849  123.806      2.67028  11.1941  0.123212  11.1252  0.12001   
1 1 1 29 12 9  o 9.84163  0.0774959 96.8697      1.52537  97.1633      2.1141   96.5508      2.20305  9.85598  0.10725   9.82475  0.112117  
1 1 1 29 12 10 o 11.5625  0.0866631 133.714      2.00409  132.426      2.80668  135.053      2.86257  11.5058  0.121968  11.6194  0.123181  
1 1 1 29 12 11 o 9.89738  0.0810871 97.9722      1.6051   97.5864      2.25921  98.3654      2.28085  9.87716  0.114366  9.91649  0.115003  
1 1 1 29 12 12 o 25.9858  0.18428   675.801      9.57731  676.594      13.728   675.049      13.3679  25.9899  0.264103  25.9613  0.257458  
1 1 1 29 12 13 o 7.44018  0.0768508 55.3648      1.14357  56.4668      1.71363  54.4799      1.5355   7.51317  0.114042  7.38001  0.104031  
1 1 1 29 12 14 o 10.1008  0.0843339 102.046      1.70367  102.502      2.4168   101.595      2.40198  10.1223  0.11938   10.0774  0.119177  
1 1 1 29 12 15 o 4.42354  0.0901037 19.5727      0.797155 19.3799      1.12911  19.7643      1.12559  4.40112  0.128275  4.44458  0.126625  
1 1 1 29 12 16 o 15.3658  0.120988  236.236      3.71814  233.672      5.35911  238.617      5.16287  15.2775  0.175393  15.4391  0.167201  
1 1 1 29 12 17 o 8.18442  0.0893681 67.009       1.46285  66.048       2.03815  68.03        2.10084  8.12406  0.125439  8.24496  0.127402  
1 1 1 29 12 18 o 5.88157  0.0854485 34.6063      1.00514  34.5955      1.34106  34.62        1.51837  5.87978  0.11404   5.88129  0.129085  
1 1 1 29 12 19 o 4.78953  0.0887798 22.9506      0.850427 22.9122      1.13477  22.9999      1.28446  4.7846   0.118586  4.79316  0.133989  
1 1 1 29 12 20 o 7.01519  0.0830242 49.2374      1.16486  50.3232      1.66089  48.1863      1.63416  7.09033  0.117124  6.93812  0.117767  
1 1 1 29 12 21 o 9.22374  0.0858502 85.1337      1.58372  87.6892      2.25915  82.6643      2.22078  9.35813  0.120705  9.0859   0.12221   
1 1 1 29 12 22 o 1.92882  0.180457  3.73347      0.696138 3.83707      0.947062 3.61171      1.02673  1.95264  0.242508  1.89293  0.271202  
1 1 1 29 12 23 f 5.10294  0.0894297 26.0663      0.912709 27.4966      1.28066  24.59        1.30111  5.23877  0.122229  4.95342  0.131335  
1 1 1 29 12 24 o 4.33625  0.102903  18.8323      0.892428 17.2009      1.23604  20.6088      1.28985  4.14057  0.149259  4.53291  0.142276  
1 1 1 29 12 25 o 3.2106   0.120031  10.3337      0.770746 10.1358      1.06207  10.5539      1.12026  3.17594  0.167205  3.24024  0.172867  
1 1 1 29 12 26 o 5.60186  0.0921376 31.4344      1.03228  32.4406      1.45886  30.4254      1.46088  5.68631  0.128278  5.50623  0.132657  
1 1 1 29 12 27 o 3.87711  0.107235  15.0715      0.831521 14.8035      1.14292  15.373       1.21201  3.83783  0.148902  3.91014  0.154983  
1 1 1 29 12 28 o 1.64773  0.233     2.75585      0.767844 3.87553      1.0757   1.59272      1.09638  1.94836  0.276054  1.2408   0.393939  
1 1 1 29 12 29 o 5.51899  0.100367  30.5557      1.10785  29.4237      1.60792  31.5787      1.52857  5.40545  0.148731  5.603    0.136406  
1 1 1 29 12 30 o 4.14784  0.133633  17.3152      1.10857  18.5617      1.56407  16.0568      1.57147  4.28252  0.182611  3.97907  0.197467  
1 1 1 29 12 31 o 3.32961  0.142781  11.1757      0.950811 11.5967      1.29209  10.6783      1.4042   3.38106  0.191077  3.23779  0.216846  
1 1 1 29 12 32 o 0.781799 0.32802   0.166007     0.866329 0.54524      1.20076  -0.245721    1.25114  0.974072 0.394836  0.845902 0.374232  
1 1 1 29 12 33 o 4.14694  0.119447  17.3348      0.990678 17.9488      1.39978  16.7185      1.40229  4.20389  0.166486  4.0548   0.172917  
1 1 1 29 12 34 o 0.814862 0.333469  0.332981     0.865207 1.37116      1.21875  -0.721849    1.22848  1.16061  0.414356  0.76129  0.34998   
1 1 1 29 12 35 o 2.61881  0.184583  7.03232      0.966778 6.5524       1.32293  7.58238      1.4163   2.4955   0.265063  2.68515  0.263729  
1 1 1 29 12 36 o 3.28659  0.15953   11.0244      1.04862  10.8938      1.47082  11.1595      1.49543  3.23355  0.227431  3.27213  0.22851   
1 1 1 29 12 37 o 2.77085  0.187355  7.9435       1.03826  8.51147      1.5092   7.43315      1.4306   2.82001  0.267588  2.63265  0.271704  
1 1 1 29 12 38 o 1.28968  0.357128  1.99141      0.952008 0.791495     1.33075  3.24925      1.36249  0.99459  0.411236  1.60761  0.419399  
1 1 1 29 12 39 o 1.27681  0.36195   2.0182       0.966719 1.85193      1.32407  2.20801      1.41473  1.20222  0.43162   1.28644  0.447682  
1 1 1 29 12 40 o 1.19051  0.382048  1.87262      1.02917  1.21081      1.42212  2.60036      1.49126  1.02952  0.425365  1.32592  0.459803  
1 1 1 29 12 41 o 1.17663  0.389532  1.98872      1.06759  1.36829      1.45193  2.71896      1.57519  1.011    0.424439  1.26982  0.469186  
1 1 1 29 12 42 o 0.87683  0.375808  0.910079     1.179    2.53341      1.6149   -0.942793    1.72529  1.16351  0.463294  0.747746 0.363524  
1 1 1 29 12 43 o 1.76534  0.371798  4.85458      1.27149  4.9786       1.89386  4.7528       1.71564  1.37262  0.513     1.42428  0.493253  
1 1 1 29 12 44 o 0.647402 0.312058  0.0342332    1.2018   0.0641762    1.62273  -0.00214198  1.78855  0.683968 0.336889  0.689917 0.342295  
1 1 1 29 13 0  o 4.9841   0.080171  24.8617      0.798694 24.8617      0.798694 24.8617      0.798694 4.98512  0.0566612 ?        ?         
1 1 1 29 13 1  o 12.9032  0.0900597 166.514      2.32412  166.603      3.2927   166.426      3.28093  12.9058  0.127567  12.8989  0.127178  
1 1 1 29 13 2  o 5.09198  0.0590174 25.9297      0.601031 27.0944      0.867121 24.8528      0.833828 5.20493  0.083298  4.98497  0.0836342 
1 1 1 29 13 3  o 8.4325   0.0659294 71.1122      1.1119   70.6697      1.57104  71.5563      1.57389  8.40591  0.0934483 8.45848  0.0930365 
1 1 1 29 13 4  o 8.59661  0.0699724 73.9079      1.20305  71.7298      1.66911  76.263       1.73558  8.46864  0.0985465 8.73212  0.099379  
1 1 1 29 13 5  o 10.4772  0.0850679 109.785      1.78254  110.122      2.53589  109.456      2.50617  10.4925  0.120843  10.4608  0.119788  
1 1 1 29 13 6  o 3.59994  0.0759043 12.9609      0.546501 13.5514      0.758686 12.3241      0.78788  3.68086  0.103058  3.51015  0.112229  
1 1 1 29 13 7  o 24.6619  0.174453  608.579      8.60468  610.359      12.3482  606.897      11.9971  24.69    0.250064  24.6207  0.243639  
1 1 1 29 13 8  o 18.2296  0.131376  332.436      4.78987  331.954      6.69229  332.943      6.85858  18.2133  0.18372   18.2401  0.188009  
1 1 1 29 13 9  o 20.9192  0.141475  437.8        5.91909  435.091      8.32431  440.57       8.4182   20.85    0.199623  20.9808  0.200617  
1 1 1 29 13 10 o 15.8875  0.111457  252.48       3.54153  252.954      5.07757  252.031      4.94214  15.9001  0.159671  15.8713  0.155695  
1 1 1 29 13 11 o 10.7479  0.0861342 115.537      1.85152  112.998      2.6051   118.129      2.632    10.6282  0.122556  10.8669  0.121102  
1 1 1 29 13 12 o 15.6386  0.115695  244.646      3.61861  242.046      5.2598   246.984      4.98612  15.5522  0.169102  15.7107  0.158685  
1 1 1 29 13 13 o 11.5659  0.0919223 133.8        2.12632  134.953      3.06959  132.737      2.94822  11.6141  0.132149  11.5185  0.127977  
1 1 1 29 13 14 o 14.4087  0.11314   207.691      3.26041  206.781      4.72342  208.52       4.50609  14.374   0.164304  14.4349  0.156083  
1 1 1 29 13 15 o 13.3211  0.124635  177.546      3.32055  177.452      4.79692  177.633      4.60113  13.3137  0.180151  13.3211  0.172701  
1 1 1 29 13 16 o 13.7854  0.114294  190.14       3.15117  187.094      4.53673  192.98       4.38025  13.6703  0.165934  13.8844  0.157739  
1 1 1 29 13 17 o 5.08285  0.0876647 25.845       0.891173 25.64        1.18748  26.1094      1.34842  5.06189  0.117296  5.10756  0.132003  
1 1 1 29 13 18 o 7.40099  0.0869966 54.7982      1.28772  54.917       1.774    54.6658      1.87219  7.4076   0.119742  7.39029  0.126666  
1 1 1 29 13 19 o 5.03594  0.0911602 25.3745      0.918154 27.8118      1.24041  22.4207      1.36552  5.27127  0.117658  4.73178  0.144292  
1 1 1 29 13 20 o 5.6319   0.0860798 31.7366      0.969586 31.4969      1.37521  31.9736      1.36722  5.60888  0.122592  5.65126  0.120966  
1 1 1 29 13 21 o 5.35864  0.0844372 28.7354      0.904937 28.5287      1.24156  28.9696      1.32175  5.33766  0.116302  5.37833  0.122877  
1 1 1 29 13 22 o 2.33256  0.147202  5.45419      0.686716 5.91082      0.949815 4.95407      0.994018 2.42594  0.195762  2.21946  0.223933  
1 1 1 29 13 23 o 4.04894  0.102124  16.4171      0.826988 17.4913      1.15505  15.2873      1.18458  4.17685  0.138269  3.90381  0.151721  
1 1 1 29 13 24 o 3.86983  0.108958  15.003       0.843299 14.949       1.14761  15.0664      1.24334  3.85974  0.148664  3.87378  0.160482  
1 1 1 29 13 25 o 2.92293  0.127694  8.56895      0.746478 9.24422      1.03926  7.84926      1.0729   3.03228  0.171366  2.79223  0.192123  
1 1 1 29 13 26 o 3.96856  0.107416  15.7871      0.852573 15.5281      1.1634   16.0876      1.25302  3.93171  0.147951  4.00084  0.156594  
1 1 1 29 13 27 o 0.896641 0.320343  0.709827     0.728561 1.59883      0.991102 -0.335367    1.07464  1.23607  0.37127   0.778678 0.345362  
1 1 1 29 13 28 o 3.18333  0.127058  10.1806      0.808934 10.7501      1.16372  9.64809      1.12525  3.26399  0.178267  3.09158  0.181987  
1 1 1 29 13 29 o 4.03215  0.115215  16.329       0.929125 16.9218      1.30889  15.7269      1.31914  4.09627  0.159766  3.94744  0.167088  
1 1 1 29 13 30 o 5.29248  0.117617  28.149       1.24497  27.3392      1.838    28.8356      1.69232  5.19942  0.176751  5.34573  0.158288  
1 1 1 29 13 31 o 1.93852  0.22793   3.83595      0.883697 3.74678      1.2088   3.93832      1.29514  1.86837  0.335693  1.91092  0.352079  
1 1 1 29 13 32 o 1.09833  0.351976  1.27116      0.873747 1.56582      1.21294  0.953338     1.25972  1.22445  0.415203  1.07728  0.414139  
1 1 1 29 13 33 o 4.20705  0.118246  17.8419      0.994929 16.3339      1.38774  19.4369      1.42717  4.00692  0.173168  4.37519  0.163098  
1 1 1 29 13 34 o 1.28381  0.336393  1.8323       0.874116 3.00182      1.23458  0.656669     1.2378   1.62682  0.384963  0.994653 0.401824  
1 1 1 29 13 35 o 3.05196  0.158621  9.49083      0.968211 10.0997      1.35048  8.84693      1.38883  3.12358  0.216176  2.91278  0.238404  
1 1 1 29 13 36 o 2.38434  0.211313  5.90524      1.00769  6.4036       1.39499  5.36143      1.45721  2.44608  0.285149  2.21422  0.329057  
1 1 1 29 13 37 o 2.54354  0.198238  6.73707      1.00845  5.87665      1.45173  7.53945      1.40191  2.30738  0.314584  2.6503   0.264481  
1 1 1 29 13 38 o 1.48655  0.325109  2.57462      0.939995 3.48927      1.31493  1.61871      1.34426  1.68277  0.396711  1.17009  0.433212  
1 1 1 29 13 39 o 1.17633  0.366329  1.72631      0.953275 1.64295      1.29323  1.82551      1.41068  1.14276  0.424547  1.18642  0.442879  
1 1 1 29 13 40 o 2.69632  0.197449  7.81039      1.06477  6.65141      1.4668   9.10143      1.54812  2.37295  0.309068  2.82216  0.274278  
1 1 1 29 13 41 o 0.921103 0.374436  1.05473      1.08355  -0.593614    1.49524  2.87762      1.57241  0.752098 0.358975  1.28655  0.469517  
1 1 1 29 13 42 o 1.96486  0.305449  4.95427      1.20033  5.172        1.62433  4.69234      1.78159  1.75219  0.458304  1.54603  0.503206  
1 1 1 29 13 43 f 0.72116  0.337244  0.264504     1.20393  1.45059      1.74781  -0.806372    1.66076  0.881381 0.409902  0.690552 0.340121  
1 1 1 29 14 0  o 8.91321  0.0965954 79.4796      1.7215   79.4796      1.7215   79.4796      1.7215   8.91417  0.0682869 ?        ?         
1 1 1 29 14 1  o 3.88525  0.0619752 15.0961      0.481578 15.3473      0.688385 14.8554      0.673952 3.9173   0.0878647 3.85402  0.0874351 
1 1 1 29 14 2  o 19.8345  0.133677  393.53       5.30286  391.841      7.46953  395.247      7.52958  19.7888  0.188732  19.8745  0.189428  
1 1 1 29 14 3  f 9.09751  0.0702071 82.7719      1.27742  81.4812      1.8127   84.0452      1.80045  9.02587  0.100417  9.16682  0.0982047 
1 1 1 29 14 4  o 7.80171  0.0684757 60.872       1.06846  62.0688      1.56105  59.8172      1.46552  7.87766  0.0990807 7.73351  0.0947513 
1 1 1 29 14 5  f 11.2984  0.0878463 127.674      1.98505  124.2        2.74307  131.492      2.87624  11.1429  0.123086  11.4653  0.125433  
1 1 1 29 14 6  o 8.52614  0.0740484 72.7031      1.26269  73.4364      1.7826   71.9647      1.78885  8.56857  0.10402   8.48224  0.105447  
1 1 1 29 14 7  o 11.6941  0.0921698 136.777      2.15569  133.186      3.03067  140.453      3.06687  11.5386  0.131328  11.8492  0.129412  
1 1 1 29 14 8  o 1.55951  0.171412  2.43357      0.534635 2.89954      0.756793 1.96933      0.755384 1.70191  0.222337  1.37668  0.284046  
1 1 1 29 14 9  o 32.9781  0.2244    1088.74      14.8006  1094.41      21.5068  1083.65      20.3994  33.0436  0.325431  32.8843  0.310169  
1 1 1 29 14 10 o 32.6047  0.221836  1064.26      14.4658  1065.54      20.4882  1062.99      20.4275  32.6057  0.314181  32.5668  0.313624  
1 1 1 29 14 11 o 13.9876  0.103617  195.704      2.89871  197.103      4.12376  194.338      4.07544  14.0356  0.146904  13.9368  0.146211  
1 1 1 29 14 12 o 8.09504  0.0752616 65.5395      1.21849  66.1594      1.76308  64.9727      1.68592  8.13256  0.108396  8.05938  0.104594  
1 1 1 29 14 13 o 4.76388  0.0819772 22.699       0.781058 23.3017      1.18111  22.2305      1.04123  4.82613  0.122366  4.71408  0.110438  
1 1 1 29 14 14 o 9.34183  0.0848233 87.2899      1.58481  90.4342      2.40214  84.8664      2.1089   9.50725  0.126332  9.21036  0.114485  
1 1 1 29 14 15 o 8.22931  0.0841696 67.7398      1.38532  65.0979      1.90487  70.7059      2.01832  8.06616  0.118078  8.40635  0.120047  
1 1 1 29 14 16 o 3.15297  0.119824  9.94774      0.755604 9.33716      1.05938  10.58        1.07804  3.05356  0.173466  3.25063  0.16582   
1 1 1 29 14 17 o 8.39202  0.0836641 70.452       1.40422  71.6533      1.96593  69.2006      2.00643  8.46183  0.116164  8.31551  0.120644  
1 1 1 29 14 18 o 4.87806  0.0890881 23.8069      0.869153 22.7394      1.19802  24.993       1.26288  4.7663   0.125676  4.99688  0.126367  
1 1 1 29 14 19 o 5.80806  0.0816444 33.7495      0.948391 33.5293      1.28525  34.0126      1.40522  5.7879   0.111029  5.82901  0.120537  
1 1 1 29 14 20 o 0.853373 0.312997  0.585911     0.699544 0.936757     0.95543  0.180489     1.02706  1.03489  0.367133  0.866269 0.359915  
1 1 1 29 14 21 o 6.80283  0.0799833 46.3099      1.08823  48.597       1.53569  44.0032      1.5423   6.9667   0.110217  6.62876  0.116334  
1 1 1 29 14 22 o 5.87535  0.0820698 34.5478      0.964378 34.9505      1.34395  34.1204      1.38463  5.90726  0.113754  5.8363   0.118622  
1 1 1 29 14 23 o 1.17657  0.297318  1.45614      0.700325 1.20146      0.97155  1.73159      1.01041  1.11443  0.371598  1.28854  0.371587  
1 1 1 29 14 24 f 3.38876  0.111875  11.5072      0.758236 12.1561      1.06664  10.8444      1.07807  3.47981  0.153261  3.28577  0.164051  
1 1 1 29 14 25 o 0.653263 0.284653  -0.119436    0.69761  -1.057       0.961242 0.92389      1.01401  0.625018 0.29429   1.03865  0.377238  
1 1 1 29 14 26 o 3.01653  0.130138  9.13265      0.785132 10.5462      1.06288  7.4351       1.16479  3.23816  0.164118  2.71339  0.214637  
1 1 1 29 14 27 o 2.32447  0.165862  5.44144      0.771084 3.89114      1.03887  7.34319      1.15062  1.955    0.265697  2.69414  0.213542  
1 1 1 29 14 28 o 5.05208  0.0980538 25.5967      0.990751 26.1731      1.3722   24.969       1.43197  5.10229  0.134469  4.98164  0.143725  
1 1 1 29 14 29 o 3.09165  0.144754  9.62769      0.895056 9.3016       1.2575   9.96255      1.27427  3.02712  0.207705  3.1338   0.203311  
1 1 1 29 14 30 o 4.35262  0.118937  19.044       1.03538  19.8008      1.49693  18.3498      1.43362  4.4264   0.169091  4.26137  0.168211  
1 1 1 29 14 31 o 4.289    0.116163  18.4974      0.996443 18.3376      1.38282  18.67        1.43712  4.25902  0.16234   4.29601  0.167262  
1 1 1 29 14 32 o 1.68068  0.267029  2.92724      0.897578 3.11004      1.24891  2.73195      1.29086  1.67287  0.381587  1.55892  0.408935  
1 1 1 29 14 33 o 1.37544  0.312674  2.07218      0.840878 2.45528      1.17585  1.67121      1.20297  1.47459  0.391902  1.24343  0.413494  
1 1 1 29 14 34 o 2.20476  0.208374  5.00294      0.918828 5.08499      1.27782  4.9151       1.32215  2.19319  0.291315  2.1496   0.307534  
1 1 1 29 14 35 o 2.1076   0.21994   4.60533      0.927091 5.42665      1.29144  3.732        1.33169  2.26037  0.285671  1.80795  0.380295  
1 1 1 29 14 36 o 1.47339  0.338654  2.46825      0.977627 2.72209      1.36423  2.20028      1.40168  1.50388  0.431149  1.36048  0.44634   
1 1 1 29 14 37 o 1.21993  0.361079  1.75498      0.942101 0.424239     1.31347  3.16502      1.35204  0.931584 0.397881  1.59911  0.418068  
1 1 1 29 14 38 o 1.57218  0.30465   2.83314      0.923737 2.83704      1.28798  2.829        1.32555  1.49389  0.415957  1.48484  0.424767  
1 1 1 29 14 39 o 1.21222  0.362236  1.84955      0.945093 2.41599      1.28469  1.18139      1.39527  1.33321  0.42675   1.03983  0.424159  
1 1 1 29 14 40 o 1.11172  0.380057  1.6309       1.01628  1.94435      1.40426  1.28617      1.47267  1.16915  0.440774  1.0374   0.430995  
1 1 1 29 14 41 o 1.39892  0.392046  2.87515      1.14053  3.06092      1.56738  2.66609      1.66275  1.31104  0.469713  1.20764  0.473396  
1 1 1 29 14 42 o 1.42403  0.416725  3.42973      1.26174  6.23729      1.74085  0.322711     1.83134  1.87811  0.465263  0.826363 0.395101  
1 1 1 29 14 43 o 1.235    0.416896  2.88061      1.22285  4.67324      1.906    1.62649      1.59421  1.321    0.509085  0.913785 0.412158  
1 1 1 29 15 0  f 5.60937  0.0882416 31.4906      0.989407 31.4906      0.989407 31.4906      0.989407 5.61051  0.0623661 ?        ?         
1 1 1 29 15 1  o 7.31595  0.0637485 53.5272      0.932762 52.6475      1.30502  54.4461      1.3337   7.2553   0.0899357 7.37819  0.0903809 
1 1 1 29 15 2  o 7.53741  0.0633448 56.8168      0.954911 56.773       1.35491  56.86        1.34603  7.5342   0.089917  7.53999  0.0892596 
1 1 1 29 15 3  o 17.8392  0.120971  318.327      4.31604  320.639      6.14603  316.078      6.06244  17.9012  0.171665  17.7735  0.170547  
1 1 1 29 15 4  f 14.5201  0.107958  210.882      3.13511  209.586      4.51612  212.089      4.35565  14.4735  0.156013  14.56    0.149576  
1 1 1 29 15 5  o 21.7036  0.154294  471.275      6.69744  475.978      9.46189  466.553      9.48137  21.8064  0.216952  21.5892  0.219586  
1 1 1 29 15 6  o 17.6864  0.130618  312.919      4.62033  309.759      6.40145  316.355      6.67543  17.5939  0.181922  17.7798  0.187725  
1 1 1 29 15 7  o 24.3169  0.178693  591.714      8.69053  596.227      13.0557  588.123      11.6454  24.3991  0.267545  24.2363  0.240246  
1 1 1 29 15 8  o 4.22508  0.0786406 17.8537      0.664526 17.487       0.952075 18.2021      0.927953 4.18115  0.113853  4.26584  0.108766  
1 1 1 29 15 9  o 33.0734  0.227526  1095.14      15.0502  1109.38      21.7924  1082.14      20.8098  33.2667  0.327542  32.8584  0.316659  
1 1 1 29 15 10 o 12.074   0.0912775 145.81       2.20416  144.599      3.06159  147.113      3.17586  12.0225  0.127327  12.1265  0.130947  
1 1 1 29 15 11 o 9.4661   0.0826272 89.623       1.56431  88.9274      2.21405  90.3164      2.2105   9.42842  0.117414  9.5018   0.11632   
1 1 1 29 15 12 o 22.0687  0.156042  487.364      6.88727  485.55       9.71576  489.197      9.76457  22.0199  0.220613  22.1024  0.220894  
1 1 1 29 15 13 o 20.5917  0.151945  424.323      6.25763  425.248      8.75721  423.359      8.94503  20.6071  0.212481  20.5605  0.217529  
1 1 1 29 15 14 f 11.2868  0.102221  127.439      2.3075   131.384      3.42903  124.174      3.11949  11.4577  0.149639  11.1394  0.14002   
1 1 1 29 15 15 o 10.4699  0.0883815 109.656      1.8507   106.714      2.60114  112.672      2.63373  10.3267  0.125942  10.6112  0.124102  
1 1 1 29 15 16 o 4.16948  0.0948445 17.3922      0.790903 17.8468      1.09492  16.8963      1.14368  4.2228   0.129644  4.10854  0.139184  
1 1 1 29 15 17 o 2.8707   0.119839  8.2476       0.688046 8.32514      0.990451 8.17529      0.956522 2.88293  0.171779  2.85698  0.167401  
1 1 1 29 15 18 o 3.36893  0.109096  11.3584      0.73507  12.4868      1.03529  10.2113      1.04385  3.53117  0.146593  3.19271  0.163475  
1 1 1 29 15 19 o 8.67485  0.087116  75.2968      1.51144  75.4162      2.06001  75.1577      2.22443  8.67952  0.118671  8.66382  0.128375  
1 1 1 29 15 20 o 6.47609  0.0834193 41.9677      1.08046  43.3849      1.52052  40.5223      1.5356   6.58253  0.115497  6.36129  0.120699  
1 1 1 29 15 21 o 6.10348  0.0813673 37.2798      0.993247 38.0746      1.36377  36.3819      1.44947  6.16628  0.110583  6.0269   0.12025   
1 1 1 29 15 22 o 4.27044  0.0976701 18.2593      0.834189 18.5536      1.14354  17.9245      1.21957  4.30245  0.132893  4.22802  0.144225  
1 1 1 29 15 23 o 4.47075  0.0940303 20.0138      0.840771 19.8013      1.13988  20.2674      1.24515  4.44438  0.128238  4.49547  0.138489  
1 1 1 29 15 24 f 3.93325  0.0996617 15.4974      0.783988 16.5309      1.09667  14.417       1.12119  4.05931  0.135081  3.78968  0.147927  
1 1 1 29 15 25 o 4.59646  0.0956165 21.1663      0.878996 19.7332      1.19842  22.835       1.29315  4.43411  0.135137  4.76982  0.135556  
1 1 1 29 15 26 o 1.63985  0.215595  2.71758      0.707084 2.85485      0.967477 2.56019      1.03597  1.6473   0.30512   1.55014  0.343263  
1 1 1 29 15 27 f 1.85979  0.202917  3.49801      0.754767 3.98818      1.03255  2.93558      1.10604  1.97877  0.260907  1.65767  0.345017  
1 1 1 29 15 28 o 0.52726  0.252673  -1.04085     0.759913 -1.15121     1.00472  -0.893336    1.16164  0.629576 0.297974  0.728209 0.336933  
1 1 1 29 15 29 o 0.951545 0.341622  0.816885     0.829466 0.61268      1.16417  1.02743      1.18212  0.988287 0.393413  1.09128  0.405803  
1 1 1 29 15 30 o 2.77101  0.162672  7.75725      0.901529 7.1472       1.27075  8.37543      1.2792   2.64395  0.240313  2.86646  0.223132  
1 1 1 29 15 31 o 2.96219  0.15164   8.86661      0.898373 9.7662       1.25972  7.93559      1.28154  3.09599  0.203444  2.78356  0.230199  
1 1 1 29 15 32 o 1.72682  0.253304  3.08469      0.874821 2.5352       1.20608  3.69477      1.27083  1.5024   0.395818  1.83323  0.359423  
1 1 1 29 15 33 o 2.0204   0.209401  4.19059      0.846147 4.3128       1.18477  4.06336      1.20886  2.02452  0.292605  1.9597   0.308431  
1 1 1 29 15 34 o 1.91166  0.242498  3.80746      0.927148 2.7991       1.28044  4.91885      1.34426  1.55515  0.406974  2.14426  0.313456  
1 1 1 29 15 35 o 1.32261  0.343101  1.97608      0.915134 2.69986      1.24111  1.11373      1.35473  1.52301  0.401654  1.10618  0.428594  
1 1 1 29 15 36 o 0.551814 0.268289  -1.47154     0.940026 -0.945713    1.31412  -2.02255     1.34522  0.749762 0.351067  0.656945 0.319842  
1 1 1 29 15 37 o 1.98489  0.238044  4.20144      0.944982 4.51166      1.31747  3.87271      1.35619  2.00079  0.329236  1.79068  0.389547  
1 1 1 29 15 38 o 0.787578 0.332553  0.310392     0.899845 -0.870547    1.2166   1.73677      1.33706  0.705197 0.331762  1.18642  0.432958  
1 1 1 29 15 39 o 1.05993  0.370525  1.40319      0.970027 0.779041     1.31927  2.13777      1.43121  0.946227 0.401256  1.23399  0.448175  
1 1 1 29 15 40 o 1.41757  0.346638  2.59079      0.975928 3.26244      1.30332  1.73353      1.47244  1.51593  0.417026  1.10632  0.441801  
1 1 1 29 15 41 o 0.956983 0.386948  1.27544      1.14927  2.7129       1.56627  -0.401218    1.69157  1.22447  0.464364  0.792736 0.379192  
1 1 1 29 15 42 o 1.58449  0.37042   3.8358       1.15399  4.11191      1.67928  3.58874      1.58849  1.35824  0.486235  1.2833   0.471561  
1 1 1 29 15 43 f 0.838397 0.369929  1.14795      1.21161  2.32642      1.87925  0.309597     1.58503  0.952726 0.435836  0.756903 0.363252  
1 1 1 29 16 0  o 25.5361  0.24162   652.65       12.3376  652.65       12.3376  652.65       12.3376  25.5415  0.170797  ?        ?         
1 1 1 29 16 1  o 1.83391  0.121342  3.36423      0.445061 3.53952      0.625403 3.18438      0.633498 1.88083  0.166257  1.78391  0.177559  
1 1 1 29 16 2  o 10.4956  0.0775256 110.172      1.62736  110.36       2.30473  109.986      2.29816  10.5039  0.109708  10.4861  0.109581  
1 1 1 29 16 3  o 24.993   0.170714  625.026      8.53331  621.693      11.7524  628.742      12.4103  24.9195  0.235807  25.0589  0.247623  
1 1 1 29 16 4  o 11.5306  0.0886425 132.976      2.0442   134.362      2.95375  131.701      2.83196  11.5895  0.127432  11.4743  0.123404  
1 1 1 29 16 5  o 22.9517  0.169199  527.096      7.76678  528.494      11.0138  525.714      10.9543  22.975   0.23969   22.9146  0.239023  
1 1 1 29 16 6  o 10.0985  0.0846784 101.996      1.71025  103.133      2.44539  100.907      2.39279  10.1539  0.120417  10.0437  0.119119  
1 1 1 29 16 7  o 34.508   0.245294  1192.37      16.9292  1189.35      24.4857  1195.14      23.4322  34.4391  0.355493  34.5271  0.33933   
1 1 1 29 16 8  f 6.13797  0.075995  37.6796      0.93291  36.8477      1.30329  38.5538      1.33598  6.06943  0.107365  6.20834  0.107596  
1 1 1 29 16 9  o 12.2749  0.0961647 150.707      2.36083  151.488      3.3568   149.943      3.32092  12.3053  0.136397  12.2424  0.135632  
1 1 1 29 16 10 o 14.4032  0.107543  207.515      3.09793  208.056      4.56552  207.054      4.21741  14.4194  0.158312  14.3853  0.146587  
1 1 1 29 16 11 o 9.60419  0.0857813 92.2594      1.64772  93.3382      2.47883  91.4053      2.2055   9.65894  0.128318  9.55883  0.115365  
1 1 1 29 16 12 o 7.09118  0.0779882 50.2941      1.10606  52.5604      1.56393  48.0264      1.56447  7.24857  0.107879  6.92876  0.112897  
1 1 1 29 16 13 o 7.06476  0.0810944 49.922       1.14583  48.8201      1.6271   51.0061      1.61386  6.98553  0.116462  7.1403   0.113011  
1 1 1 29 16 14 o 2.7339   0.119652  7.47849      0.654235 7.42126      0.916531 7.53795      0.934178 2.72264  0.168316  2.74393  0.170227  
1 1 1 29 16 15 o 3.85838  0.0948636 14.8933      0.732039 13.8821      1.011    16.0079      1.06135  3.72425  0.135732  3.99933  0.132691  
1 1 1 29 16 16 o 23.6696  0.173731  561.157      8.22427  560.403      11.7524  561.881      11.513   23.634   0.248634  23.6668  0.243232  
1 1 1 29 16 17 o 1.01147  0.298547  1.04325      0.644902 1.33501      0.91803  0.759004     0.906143 1.15442  0.35949   0.971577 0.356243  
1 1 1 29 16 18 o 5.51664  0.0838113 30.4484      0.924714 29.1016      1.28186  31.9097      1.33525  5.39188  0.11887   5.64605  0.118247  
1 1 1 29 16 19 o 1.27691  0.281325  1.70605      0.699094 1.24455      0.948382 2.25524      1.03457  1.12825  0.367141  1.46478  0.356106  
1 1 1 29 16 20 o 2.59073  0.132119  6.72417      0.684572 6.91243      0.932438 6.50405      1.00826  2.62485  0.177617  2.54512  0.198078  
1 1 1 29 16 21 o 7.26392  0.0832117 52.8075      1.20889  52.2837      1.72772  53.3098      1.69209  7.22466  0.119571  7.29557  0.115967  
1 1 1 29 16 22 o 6.45663  0.0822855 41.7272      1.06257  42.1189      1.49082  41.3227      1.51489  6.48396  0.114962  6.42206  0.117944  
1 1 1 29 16 23 o 1.60024  0.211796  2.5789       0.677849 4.1401       0.949532 0.956446     0.967982 2.02587  0.234351  1.03882  0.369435  
1 1 1 29 16 24 o 5.3704   0.0858202 28.8805      0.921777 30.0373      1.30223  27.7189      1.30496  5.47344  0.118959  5.25736  0.124108  
1 1 1 29 16 25 o 1.84432  0.185999  3.42603      0.686083 3.23528      0.934972 3.64856      1.00989  1.78607  0.26174   1.89626  0.266285  
1 1 1 29 16 26 o 2.80212  0.135198  7.88665      0.757683 8.51942      1.03686  7.16156      1.10992  2.90764  0.178299  2.66215  0.208463  
1 1 1 29 16 27 o 2.2712   0.166532  5.19929      0.756454 6.43942      1.05316  3.87763      1.08723  2.52203  0.208792  1.94773  0.279101  
1 1 1 29 16 28 o 1.90086  0.197011  3.65879      0.748981 3.08417      1.00812  4.36671      1.11896  1.70579  0.306657  2.06487  0.270953  
1 1 1 29 16 29 o 1.02636  0.354108  1.01807      0.883502 0.572479     1.15759  1.63979      1.36737  0.977539 0.391196  1.27771  0.440557  
1 1 1 29 16 30 o 1.50927  0.278835  2.4169       0.810029 2.05255      1.21057  2.71228      1.09     1.3738   0.409856  1.57901  0.353955  
1 1 1 29 16 31 o 4.23578  0.116246  18.0626      0.984783 17.2604      1.38672  18.8788      1.39874  4.12583  0.168054  4.31703  0.162003  
1 1 1 29 16 32 o 0.895623 0.345507  0.621282     0.878392 -0.440125    1.1595   2.05083      1.34565  0.778286 0.351246  1.35825  0.436957  
1 1 1 29 16 33 o 0.658482 0.300001  -0.467346    0.876336 -1.60507     1.15954  1.04808      1.33824  0.634816 0.306122  1.10222  0.426201  
1 1 1 29 16 34 o 1.58123  0.288557  2.72393      0.878697 2.86584      1.25104  2.58576      1.23445  1.574    0.397162  1.49276  0.403746  
1 1 1 29 16 35 o 0.77809  0.331013  0.150692     0.902759 0.18837      1.23223  0.107039     1.32635  0.891195 0.383156  0.904608 0.39332   
1 1 1 29 16 36 o 2.18252  0.221638  4.99128      0.967459 3.581        1.38265  6.34409      1.35418  1.73091  0.405987  2.42886  0.278769  
1 1 1 29 16 37 o 0.845933 0.343183  0.5269       0.9082   -0.150364    1.26595  1.24512      1.30366  0.820665 0.368875  1.08428  0.420371  
1 1 1 29 16 38 o 0.822497 0.341289  0.45725      0.921662 1.09556      1.24197  -0.325157    1.37502  1.02424  0.406777  0.813842 0.372513  
1 1 1 29 16 39 o 0.568316 0.274618  -1.12154     0.946888 -2.31285     1.27957  0.320493     1.4078   0.584163 0.28976   0.8826   0.393045  
1 1 1 29 16 40 o 2.0273   0.267153  4.7802       1.0832   4.84127      1.5358   4.71975      1.52798  1.83279  0.426589  1.80408  0.429143  
1 1 1 29 16 41 o 1.05332  0.401773  1.72248      1.1781   1.98053      1.69698  1.48241      1.63681  1.06784  0.454042  0.994609 0.43468   
1 1 1 29 16 42 o 0.725888 0.331042  0.369447     1.0729   0.254675     1.57741  0.468252     1.46358  0.770512 0.367989  0.780638 0.366411  
1 1 1 29 16 43 o 0.805672 0.363484  1.11131      1.24067  1.26433      1.93146  1.00382      1.61881  0.814571 0.393365  0.792358 0.376533  
1 1 1 29 17 0  o 18.2875  0.175975  334.632      6.43491  334.632      6.43491  334.632      6.43491  18.2902  0.124401  ?        ?         
1 1 1 29 17 1  o 5.58214  0.0660285 31.1631      0.737161 31.3667      0.980632 30.8987      1.11779  5.60014  0.0875541 5.55807  0.100555  
1 1 1 29 17 2  o 16.9714  0.121095  288.116      4.11031  283.486      5.72282  293.05       5.90727  16.8319  0.169999  17.1133  0.172593  
1 1 1 29 17 3  o 37.9639  0.257962  1443.29      19.5865  1433.86      28.1413  1452.14      27.2778  37.8107  0.372134  38.0551  0.358399  
1 1 1 29 17 4  o 14.135   0.107605  199.848      3.04198  198.464      4.46086  201.05       4.15901  14.0839  0.158367  14.1759  0.146693  
1 1 1 29 17 5  o 16.2245  0.120992  263.32       3.92607  262.134      5.45894  264.59       5.65061  16.1855  0.168637  16.2609  0.173749  
1 1 1 29 17 6  f 12.1464  0.0982074 147.567      2.38574  146.771      3.31366  148.424      3.43764  12.1124  0.136788  12.1802  0.141115  
1 1 1 29 17 7  o 8.98874  0.0796426 80.8094      1.43177  80.5333      2.06867  81.0632      1.98367  8.97265  0.115277  9.00224  0.110176  
1 1 1 29 17 8  o 11.0386  0.0898482 121.876      1.9836   120.437      2.74492  123.448      2.86972  10.9723  0.125084  11.1084  0.129168  
1 1 1 29 17 9  o 11.3209  0.0955521 128.194      2.16348  133.858      3.33684  124.087      2.8417   11.5665  0.144245  11.137   0.127579  
1 1 1 29 17 10 o 3.22858  0.101335  10.4267      0.654336 10.5933      0.834544 10.1608      1.05423  3.25398  0.128234  3.18639  0.165426  
1 1 1 29 17 11 o 1.23758  0.24321   1.58732      0.58053  1.82408      0.850617 1.3809       0.794264 1.32215  0.323814  1.15837  0.327986  
1 1 1 29 17 12 o 17.7537  0.127983  315.363      4.54433  315.942      6.43939  314.788      6.41399  17.7652  0.181236  17.7327  0.180852  
1 1 1 29 17 13 o 11.2504  0.0902555 126.612      2.03083  126.713      2.89016  126.513      2.85423  11.2531  0.128416  11.2443  0.126919  
1 1 1 29 17 14 o 6.46819  0.0738077 41.8477      0.954805 41.2292      1.32754  42.5105      1.37427  6.41944  0.1034    6.51837  0.105415  
1 1 1 29 17 15 o 5.44751  0.0805726 29.6852      0.87784  29.5356      1.2283   29.8413      1.25504  5.43291  0.113042  5.46089  0.114912  
1 1 1 29 17 16 o 13.3734  0.104285  178.961      2.78929  177.505      3.78687  180.687      4.12395  13.3153  0.1422    13.4329  0.153502  
1 1 1 29 17 17 o 4.33134  0.0887673 18.7702      0.768963 17.8806      1.08294  19.6749      1.09207  4.22624  0.128121  4.43341  0.123164  
1 1 1 29 17 18 o 7.20078  0.0815678 51.8777      1.1747   51.822       1.67654  51.9315      1.64643  7.19496  0.116508  7.20269  0.114293  
1 1 1 29 17 19 o 4.22171  0.0960693 17.8384      0.811153 16.7278      1.12546  19.0389      1.17013  4.0863   0.137711  4.35964  0.1342    
1 1 1 29 17 20 o 4.1429   0.092655  17.1799      0.767722 17.712       1.05349  16.5772      1.1211   4.20494  0.125269  4.06727  0.13782   
1 1 1 29 17 21 o 3.92541  0.101812  15.4291      0.799307 15.6903      1.10493  15.1423      1.1577   3.9562   0.139646  3.88583  0.148964  
1 1 1 29 17 22 o 7.3938   0.0814935 54.7212      1.20509  55.735       1.68995  53.6724      1.71894  7.45856  0.113289  7.31874  0.117434  
1 1 1 29 17 23 o 2.61422  0.12918   6.85344      0.675408 7.00031      0.952087 6.70465      0.958285 2.6385   0.180422  2.58177  0.185587  
1 1 1 29 17 24 o 4.06424  0.0979185 16.5492      0.795928 16.9109      1.09566  16.145       1.15816  4.10513  0.133451  4.00989  0.144413  
1 1 1 29 17 25 o 2.80008  0.126657  7.86792      0.709299 9.34199      0.982344 6.26233      1.02523  3.04788  0.161152  2.49103  0.205784  
1 1 1 29 17 26 o 5.99303  0.0903327 35.9926      1.08273  34.3155      1.45728  38.0592      1.61768  5.84622  0.124635  6.1555   0.131401  
1 1 1 29 17 27 o 4.5009   0.0993435 20.3178      0.894271 20.6032      1.24436  20.013       1.28605  4.52638  0.137457  4.45984  0.144181  
1 1 1 29 17 28 o 2.27281  0.175298  5.22036      0.796839 4.48589      1.08323  6.08651      1.17632  2.09377  0.258678  2.44258  0.240795  
1 1 1 29 17 29 o 3.00487  0.150511  9.10375      0.904531 7.58303      1.23137  10.8861      1.33308  2.72832  0.225665  3.27456  0.20355   
1 1 1 29 17 30 o 1.28483  0.304226  1.77765      0.770658 1.38544      1.12957  2.1192       1.05409  1.17272  0.400681  1.39218  0.371538  
1 1 1 29 17 31 o 3.35031  0.141015  11.3376      0.944887 11.0687      1.3139   11.6256      1.35983  3.29401  0.199438  3.37518  0.201445  
1 1 1 29 17 32 f 0.675857 0.30374   -0.32381     0.85802  -0.462295    1.13623  -0.140054    1.30884  0.765757 0.346534  0.875623 0.385638  
1 1 1 29 17 33 o 1.19743  0.356565  1.58659      0.916815 1.96051      1.21359  1.08947      1.39929  1.31876  0.413863  1.12037  0.435278  
1 1 1 29 17 34 o 0.989476 0.350941  0.982423     0.87297  0.388916     1.21459  1.61664      1.25556  0.927023 0.388649  1.21605  0.421884  
1 1 1 29 17 35 o 2.24429  0.213748  5.23774      0.959423 4.13618      1.32303  6.45954      1.39336  1.90663  0.360096  2.45714  0.283534  
1 1 1 29 17 36 o 1.01592  0.359435  1.10892      0.915232 2.0276       1.31383  0.242805     1.27568  1.29496  0.432126  0.896442 0.387688  
1 1 1 29 17 37 f 1.25685  0.353246  1.88954      0.924647 2.31877      1.31452  1.46918      1.30088  1.34988  0.431635  1.13265  0.424801  
1 1 1 29 17 38 o 0.871777 0.351306  0.667007     0.942805 0.87855      1.2718   0.408929     1.40474  0.976023 0.402676  0.917648 0.401853  
1 1 1 29 17 39 o 2.57824  0.195033  7.12527      1.00568  6.07625      1.37084  8.34786      1.47991  2.27912  0.300739  2.70556  0.273494  
1 1 1 29 17 40 o 0.712469 0.323802  -0.00982867  1.00729  -0.777317    1.40384  0.804613     1.44614  0.718812 0.344217  0.913937 0.403589  
1 1 1 29 17 41 o 0.894595 0.376414  1.02637      1.1462   1.55079      1.70243  0.591558     1.55017  0.994373 0.438659  0.863636 0.395398  
1 1 1 29 17 42 o 0.63888  0.304051  -0.2252      1.05904  0.202545     1.57958  -0.574487    1.42738  0.75483  0.362346  0.672118 0.327628  
1 1 1 29 17 43 o 0.540102 0.269039  -1.2524      1.16149  -2.26672     1.63257  -0.212789    1.65281  0.566054 0.28673   0.668817 0.331157  
1 1 1 29 18 0  o 24.43    0.242059  597.378      11.8244  597.378      11.8244  597.378      11.8244  24.4357  0.171103  ?        ?         
1 1 1 29 18 1  o 10.2136  0.0782513 104.332      1.59846  102.975      2.28635  105.63       2.23564  10.1462  0.112669  10.2763  0.108776  
1 1 1 29 18 2  o 6.98526  0.0663329 48.7986      0.926706 48.5785      1.36605  48.9861      1.26133  6.9691   0.0980076 6.99839  0.0901155 
1 1 1 29 18 3  o 14.6424  0.104069  214.451      3.04766  216.143      4.43818  212.941      4.19238  14.6981  0.150978  14.5892  0.143681  
1 1 1 29 18 4  o 6.74373  0.0686619 45.4826      0.926075 44.4661      1.31129  46.4941      1.30805  6.66758  0.0983335 6.81796  0.0959266 
1 1 1 29 18 5  o 9.11195  0.0777488 83.0391      1.41689  82.7951      1.96015  83.3062      2.05046  9.09797  0.107724  9.1259   0.112343  
1 1 1 29 18 6  o 6.05347  0.0710663 36.6489      0.860396 36.6389      1.21867  36.6588      1.21491  6.05228  0.100678  6.05392  0.10034   
1 1 1 29 18 7  o 25.5205  0.187502  651.861      9.5703   645.067      13.7489  658.248      13.3297  25.3749  0.270915  25.6347  0.259993  
1 1 1 29 18 8  f 18.3254  0.132799  335.976      4.8672   339.059      6.86342  332.858      6.90329  18.4051  0.186454  18.2358  0.189279  
1 1 1 29 18 9  o 10.9372  0.0932837 119.65       2.04052  120.056      2.77003  119.169      3.01724  10.9545  0.126433  10.9135  0.138234  
1 1 1 29 18 10 o 11.535   0.0962782 133.092      2.22113  131.757      3.15046  134.412      3.13194  11.4753  0.137271  11.5905  0.135108  
1 1 1 29 18 11 o 10.9669  0.0884074 120.304      1.93912  122.061      2.80515  118.696      2.68355  11.0452  0.126984  10.8921  0.123187  
1 1 1 29 18 12 o 6.48997  0.0732217 42.128       0.950414 42.9235      1.39209  41.4336      1.30074  6.55023  0.106262  6.43567  0.101057  
1 1 1 29 18 13 o 8.36727  0.0804984 70.0309      1.3471   70.4323      1.92552  69.6461      1.8853   8.38997  0.114752  8.34309  0.112986  
1 1 1 29 18 14 o 10.1891  0.0849993 103.855      1.73214  104.841      2.5066   102.954      2.39634  10.2354  0.122447  10.1432  0.118126  
1 1 1 29 18 15 f 5.6067   0.080431  31.4463      0.901906 29.6967      1.25908  33.2903      1.29255  5.44747  0.115566  5.76778  0.112049  
1 1 1 29 18 16 o 3.6127   0.0945505 13.0589      0.683166 12.732       0.979411 13.3686      0.953399 3.56608  0.137323  3.65437  0.130447  
1 1 1 29 18 17 o 8.42015  0.081607  70.9328      1.37429  71.1891      1.91894  70.6628      1.96909  8.43341  0.11377   8.40194  0.117181  
1 1 1 29 18 18 o 6.21416  0.0794393 38.6366      0.987296 40.5998      1.44032  36.8965      1.35599  6.3683   0.113085  6.07099  0.111678  
1 1 1 29 18 19 o 5.05961  0.0879953 25.6204      0.890444 26.1343      1.31205  25.1816      1.2124   5.10779  0.128436  5.01432  0.120894  
1 1 1 29 18 20 o 2.33953  0.148378  5.48741      0.694268 5.14713      0.956779 5.86584      1.00899  2.26282  0.211413  2.4158   0.208831  
1 1 1 29 18 21 o 5.14557  0.0860116 26.5038      0.885158 26.0142      1.25585  26.9871      1.2478   5.0951   0.123241  5.18976  0.120217  
1 1 1 29 18 22 o 3.588    0.102145  12.8945      0.732993 12.7521      1.01133  13.0521      1.06389  3.56542  0.141824  3.60665  0.14749   
1 1 1 29 18 23 o 4.32832  0.0903892 18.762       0.782467 17.9511      1.08486  19.6413      1.12964  4.23057  0.128217  4.42531  0.127634  
1 1 1 29 18 24 o 3.71742  0.102255  13.8487      0.760249 14.3959      1.04776  13.2403      1.10482  3.78684  0.138342  3.63019  0.152171  
1 1 1 29 18 25 o 4.13857  0.0971933 17.1653      0.804482 17.4411      1.10542  16.8548      1.17301  4.16776  0.132615  4.09573  0.143199  
1 1 1 29 18 26 o 4.23934  0.103263  18.0252      0.875536 17.954       1.1769   18.1135      1.31018  4.22595  0.139247  4.2421   0.154426  
1 1 1 29 18 27 o 2.1253   0.172395  4.55882      0.732784 3.8833       1.01104  5.30638      1.06358  1.95013  0.259223  2.2842   0.232814  
1 1 1 29 18 28 o 3.49097  0.130025  12.2613      0.907826 12.2986      1.20485  12.2122      1.38077  3.48811  0.172708  3.46976  0.198973  
1 1 1 29 18 29 o 0.808017 0.323554  0.366401     0.792575 -0.485058    1.10163  1.28006      1.14116  0.758346 0.342301  1.1467   0.401784  
1 1 1 29 18 30 o 1.50785  0.270243  2.41298      0.785449 1.70344      1.12067  3.09804      1.10117  1.26015  0.398096  1.69148  0.337456  
1 1 1 29 18 31 o 2.76069  0.162003  7.72694      0.894484 8.43694      1.2663   7.01986      1.26369  2.86791  0.220771  2.60935  0.242146  
1 1 1 29 18 32 o 4.01611  0.123513  16.2764      0.992084 17.0736      1.3341   15.2903      1.48385  4.09955  0.162713  3.86777  0.191823  
1 1 1 29 18 33 o 0.974122 0.35701   0.894157     0.909961 2.08097      1.22536  -0.565011    1.3587   1.35028  0.414293  0.823488 0.37474   
1 1 1 29 18 34 o 0.765454 0.326111  0.123849     0.878476 1.22258      1.21805  -1.06717     1.26817  1.11049  0.412128  0.726487 0.341009  
1 1 1 29 18 35 o 2.87291  0.175971  8.47873      1.0111   8.93453      1.39693  7.97719      1.46534  2.91623  0.239508  2.73933  0.267464  
1 1 1 29 18 36 o 0.965951 0.356502  0.957034     0.908905 0.710991     1.28274  1.20511      1.28804  0.977469 0.403929  1.08128  0.418126  
1 1 1 29 18 37 o 2.55675  0.189134  6.84079      0.967135 7.14896      1.34332  6.50914      1.39354  2.56135  0.262228  2.42402  0.287444  
1 1 1 29 18 38 o 1.63467  0.297824  3.11511      0.937637 3.39378      1.31731  2.82894      1.33491  1.60631  0.408883  1.44112  0.430481  
1 1 1 29 18 39 o 2.17946  0.230295  5.23881      1.00384  4.97941      1.40697  5.50777      1.43265  1.97246  0.370299  2.12408  0.337241  
1 1 1 29 18 40 o 0.942572 0.373233  1.17873      1.04272  0.360614     1.44942  2.05634      1.5012   0.843095 0.384569  1.11502  0.445791  
1 1 1 29 18 41 o 0.665451 0.318233  -0.49544     1.18967  -0.287687    1.83881  -0.645006    1.5602   0.790408 0.382066  0.723883 0.350259  
1 1 1 29 18 42 o 0.711006 0.326975  0.303754     1.07329  -0.157998    1.53573  0.744627     1.50061  0.722892 0.349384  0.804843 0.376429  
1 1 1 29 19 0  o 5.50992  0.0980997 30.3914      1.08027  30.3914      1.08027  30.3914      1.08027  5.51138  0.0693237 ?        ?         
1 1 1 29 19 1  o 15.0085  0.105301  225.312      3.16084  223.925      4.49353  226.67       4.44703  14.9603  0.150182  15.0519  0.147724  
1 1 1 29 19 2  o 14.4491  0.109426  208.833      3.1622   208.109      4.63014  209.466      4.32907  14.4217  0.160527  14.4692  0.149596  
1 1 1 29 19 3  f 5.15963  0.0637585 26.6243      0.657941 27.1618      0.975395 26.1756      0.89123  5.21117  0.093587  5.11575  0.0871064 
1 1 1 29 19 4  o 15.1203  0.112734  228.692      3.40915  229.685      4.96456  227.807      4.68971  15.1505  0.163841  15.0889  0.155403  
1 1 1 29 19 5  o 3.58496  0.0905138 12.8545      0.648976 12.8768      0.928108 12.8331      0.907811 3.58769  0.129346  3.58163  0.126732  
1 1 1 29 19 6  o 9.11447  0.0808681 83.0874      1.47414  83.8341      2.10151  82.3641      2.06839  9.15455  0.114779  9.07395  0.113974  
1 1 1 29 19 7  o 7.73525  0.0821224 59.8448      1.27047  62.3644      1.80387  57.3648      1.78965  7.89573  0.114231  7.57254  0.118167  
1 1 1 29 19 8  o 17.9179  0.133304  321.213      4.77707  322.764      6.70903  319.618      6.80356  17.9568  0.18681   17.8687  0.190377  
1 1 1 29 19 9  o 12.5589  0.110306  157.784      2.77065  157.28       3.85232  158.324      3.98777  12.5367  0.153642  12.5779  0.158522  
1 1 1 29 19 10 o 16.0838  0.1265    258.822      4.06921  260.793      5.79748  256.907      5.71291  16.1407  0.179591  16.0201  0.178304  
1 1 1 29 19 11 o 9.40275  0.0805027 88.4325      1.51389  90.6439      2.17327  86.3478      2.11007  9.51845  0.114161  9.29017  0.113565  
1 1 1 29 19 12 o 16.8016  0.125027  282.478      4.20129  286.245      6.01915  278.899      5.86682  16.9074  0.178003  16.6893  0.175766  
1 1 1 29 19 13 o 14.0455  0.104579  197.378      2.93773  199.316      4.14567  195.424      4.16356  14.1107  0.146898  13.972   0.148996  
1 1 1 29 19 14 o 3.39345  0.0997115 11.5216      0.676733 10.5529      0.957144 12.49        0.956945 3.24665  0.147405  3.5324   0.135452  
1 1 1 29 19 15 o 3.01637  0.111322  9.10523      0.671578 8.27749      0.966398 9.8783       0.933943 2.87463  0.168091  3.1409   0.148675  
1 1 1 29 19 16 o 12.0617  0.0950728 145.574      2.29348  146.977      3.3051   144.271      3.18517  12.1157  0.136398  12.0041  0.132671  
1 1 1 29 19 17 o 3.38331  0.101241  11.456       0.685056 10.5841      0.931683 12.4822      1.01077  3.25066  0.143307  3.53014  0.143163  
1 1 1 29 19 18 o 4.04554  0.0925191 16.38        0.748579 15.855       1.05769  16.9068      1.05961  3.97845  0.132928  4.1085   0.128953  
1 1 1 29 19 19 o 2.28919  0.150386  5.25346      0.688525 5.8931       1.02302  4.7238       0.930928 2.42162  0.211225  2.16793  0.214705  
1 1 1 29 19 20 o 7.2002   0.0813279 51.8863      1.17115  51.175       1.60411  52.6982      1.71386  7.14797  0.112207  7.25294  0.118149  
1 1 1 29 19 21 o 2.75363  0.129176  7.60078      0.711404 9.07309      0.989619 6.02628      1.02338  3.00623  0.164595  2.44707  0.209104  
1 1 1 29 19 22 o 4.44756  0.0898312 19.8073      0.79906  20.3168      1.15216  19.3351      1.10915  4.50125  0.127982  4.39131  0.126289  
1 1 1 29 19 23 o 3.42407  0.108928  11.751       0.745958 12.032       1.05447  11.4695      1.05541  3.46101  0.152336  3.37876  0.156183  
1 1 1 29 19 24 o 0.813207 0.300716  0.532304     0.647343 1.03818      0.881344 -0.060319    0.95392  1.04154  0.353927  0.780791 0.336428  
1 1 1 29 19 25 f 3.66671  0.105896  13.4824      0.776578 13.2705      1.05735  13.7305      1.14429  3.63332  0.145507  3.69447  0.154865  
1 1 1 29 19 26 o 1.38176  0.265931  2.01015      0.70868  1.76433      0.97402  2.28667      1.03303  1.28557  0.362955  1.4574   0.356794  
1 1 1 29 19 27 o 2.99599  0.128088  9.02438      0.767503 8.95675      1.05212  9.1013       1.12208  2.97735  0.176687  2.99941  0.187051  
1 1 1 29 19 28 o 0.510636 0.247195  -1.25737     0.780649 -0.0883532   1.04472  -2.7353      1.17468  0.804393 0.3494    0.556618 0.27633   
1 1 1 29 19 29 f 7.01383  0.094499  49.3686      1.3256   49.8863      1.84605  48.8176      1.90469  7.03888  0.131132  6.96098  0.136812  
1 1 1 29 19 30 o 1.74991  0.224989  3.13929      0.787424 2.89886      1.1054   3.38696      1.12195  1.62599  0.349941  1.76901  0.3294    
1 1 1 29 19 31 o 1.39851  0.338854  2.15939      0.939178 4.10952      1.30512  0.0649176    1.35255  1.93664  0.34976   0.923115 0.39921   
1 1 1 29 19 32 o 2.78063  0.166652  7.86501      0.926798 7.33676      1.24068  8.53194      1.39407  2.6638   0.232878  2.8684   0.243004  
1 1 1 29 19 33 o 0.991645 0.350285  0.988865     0.868915 1.15206      1.18882  0.801686     1.27318  1.09113  0.406711  1.02683  0.410538  
1 1 1 29 19 34 o 1.3227   0.33883   1.97449      0.90033  1.67072      1.23631  2.31749      1.31373  1.22673  0.419184  1.40616  0.428476  
1 1 1 29 19 35 o 1.33754  0.346612  2.05811      0.934579 2.22084      1.2703   1.86609      1.37988  1.36333  0.422539  1.26884  0.442078  
1 1 1 29 19 36 o 1.14901  0.356542  1.55446      0.904103 0.621307     1.31127  2.40007      1.24825  0.961905 0.403571  1.38719  0.416659  
1 1 1 29 19 37 o 1.85606  0.246063  3.73085      0.913416 3.54014      1.25004  3.94933      1.33797  1.69917  0.377742  1.79104  0.384593  
1 1 1 29 19 38 o 0.746355 0.325445  0.174321     0.913209 -0.503977    1.25175  0.946112     1.33523  0.740852 0.34545   0.978782 0.40875   
1 1 1 29 19 39 o 0.791882 0.337451  0.435043     0.941036 0.236988     1.32321  0.637724     1.33857  0.837495 0.376744  0.901153 0.39347   
1 1 1 29 19 40 o 0.839768 0.355603  0.747914     1.03373  1.02934      1.48334  0.482173     1.4414   0.929493 0.409824  0.849806 0.386519  
1 1 1 29 19 41 o 0.912521 0.375817  1.34402      1.10588  1.53345      1.59509  1.1687       1.53458  0.929126 0.415938  0.88221  0.400605  
1 1 1 29 19 42 o 0.724106 0.329226  0.445833     1.04365  -0.946339    1.45763  1.91025      1.49497  0.648963 0.319652  0.948142 0.414887  
1 1 1 29 20 0  o 34.9778  0.330009  1225.38      23.0814  1225.38      23.0814  1225.38      23.0814  34.9916  0.233237  ?        ?         
1 1 1 29 20 1  o 12.7755  0.0933193 163.247      2.3844   164.505      3.32169  161.91       3.42477  12.8233  0.129517  12.7216  0.134604  
1 1 1 29 20 2  o 13.144   0.095411  172.803      2.50816  171.057      3.44547  174.77       3.65824  13.0761  0.131747  13.2169  0.138392  
1 1 1 29 20 3  o 20.3915  0.147544  416.037      6.01729  407.958      8.78183  423.186      8.26145  20.186   0.217523  20.5611  0.2009    
1 1 1 29 20 4  o 4.40362  0.0827501 19.3953      0.728801 18.9488      1.1104   19.7332      0.965987 4.35211  0.12757   4.44153  0.108745  
1 1 1 29 20 5  o 14.9367  0.119019  223.188      3.55549  226.014      4.87925  219.99       5.19174  15.0285  0.162333  14.826   0.175089  
1 1 1 29 20 6  o 9.89651  0.0833047 97.9595      1.64885  97.5126      2.27716  98.4522      2.39064  9.87303  0.115322  9.92032  0.120492  
1 1 1 29 20 7  o 8.32175  0.0849599 69.2658      1.41403  70.4179      1.96336  68.0243      2.03822  8.38988  0.117008  8.24587  0.12359   
1 1 1 29 20 8  o 16.0416  0.125674  257.455      4.03201  262.304      5.80088  252.922      5.60826  16.1879  0.179173  15.896   0.176405  
1 1 1 29 20 9  o 9.47016  0.0874883 89.7062      1.65706  89.9072      2.38613  89.519       2.30295  9.47951  0.125857  9.45918  0.121731  
1 1 1 29 20 10 o 13.235   0.104105  175.235      2.75567  176.76       3.97936  173.83       3.81976  13.2897  0.149716  13.1794  0.144914  
1 1 1 29 20 11 o 7.243    0.0751296 52.4732      1.08833  54.2818      1.6007   50.9185      1.48415  7.3658   0.108657  7.1341   0.104018  
1 1 1 29 20 12 o 6.72883  0.0744085 45.2888      1.00136  46.2729      1.43848  44.3636      1.39482  6.80063  0.105761  6.65889  0.104733  
1 1 1 29 20 13 o 9.35324  0.0806011 87.5126      1.50776  88.3969      2.14552  86.6497      2.11932  9.39879  0.114138  9.30546  0.113875  
1 1 1 29 20 14 o 1.31907  0.243562  1.80174      0.618402 1.42937      0.894743 2.1423       0.855669 1.18419  0.35217   1.43213  0.307592  
1 1 1 29 20 15 o 9.25481  0.086025  85.6926      1.59229  86.2274      2.18238  85.0837      2.32839  9.28166  0.117564  9.21926  0.126278  
1 1 1 29 20 16 o 15.6496  0.115006  245.152      3.5996   243.607      5.01205  246.798      5.17297  15.5928  0.160717  15.6938  0.164809  
1 1 1 29 20 17 f 7.67289  0.0776558 58.9047      1.19169  59.8444      1.67272  57.9363      1.69817  7.73189  0.10817   7.60738  0.111613  
1 1 1 29 20 18 o 3.11537  0.112085  9.7184       0.698373 9.53777      0.990828 9.89673      0.9845   3.08415  0.160632  3.14185  0.156675  
1 1 1 29 20 19 o 3.01839  0.116005  9.12511      0.7003   7.08126      0.988925 11.181       0.991829 2.65564  0.186193  3.33946  0.148502  
1 1 1 29 20 20 o 5.89608  0.0827699 34.7964      0.976035 33.6006      1.34356  36.1327      1.42028  5.79125  0.115999  6.00528  0.118252  
1 1 1 29 20 21 o 3.87917  0.0971362 15.0698      0.753616 14.9079      1.07036  15.2288      1.06125  3.85532  0.138816  3.89681  0.136168  
1 1 1 29 20 22 o 3.42469  0.106293  11.7521      0.728043 12.5667      1.0652   11.038       0.997357 3.53777  0.150547  3.31563  0.150402  
1 1 1 29 20 23 o 3.2149   0.113617  10.3626      0.730532 10.2807      1.02275  10.4478      1.04383  3.19814  0.159898  3.22381  0.161893  
1 1 1 29 20 24 o 1.55126  0.210893  2.43068      0.654299 2.20294      0.914821 2.66918      0.936186 1.43951  0.325371  1.59208  0.304887  
1 1 1 29 20 25 o 1.54938  0.220466  2.43205      0.683171 2.53553      0.919977 2.30484      1.02005  1.54735  0.308203  1.4656   0.351912  
1 1 1 29 20 26 o 5.56787  0.0878387 31.0739      0.978149 29.9761      1.34089  32.3224      1.43003  5.46256  0.122734  5.67161  0.12607   
1 1 1 29 20 27 o 0.416097 0.207742  -1.89774     0.712126 -2.56707     0.962804 -1.0893      1.05813  0.482173 0.240848  0.658575 0.309704  
1 1 1 29 20 28 o 1.65401  0.233432  2.79068      0.772197 2.34286      1.05085  3.31631      1.13851  1.46749  0.360227  1.7586   0.335724  
1 1 1 29 20 29 o 2.32487  0.173522  5.47069      0.806831 6.68548      1.13627  4.23532      1.14585  2.56     0.221928  2.02514  0.282906  
1 1 1 29 20 30 o 0.671019 0.293719  -0.112371    0.749761 0.302865     1.03628  -0.568507    1.08612  0.871883 0.361842  0.734621 0.3345    
1 1 1 29 20 31 o 1.16108  0.351852  1.46838      0.887502 1.62509      1.18221  1.26601      1.34342  1.22951  0.409911  1.15866  0.432256  
1 1 1 29 20 32 o 3.16676  0.146167  10.1673      0.925751 10.2603      1.26401  10.0597      1.35964  3.16223  0.19986   3.1238   0.217625  
1 1 1 29 20 33 o 0.840648 0.336412  0.471457     0.856061 -0.653831    1.16982  1.76881      1.25608  0.743299 0.341631  1.25719  0.422523  
1 1 1 29 20 34 o 0.917501 0.35412   0.715267     0.922965 2.55499      1.2677   -1.35991     1.34639  1.46933  0.413828  0.719141 0.342523  
1 1 1 29 20 35 o 0.737621 0.320354  0.0395203    0.878027 -1.24528     1.24401  1.31489      1.23944  0.688608 0.328376  1.11338  0.415226  
1 1 1 29 20 36 o 0.716285 0.317666  -0.0874401   0.908972 0.483787     1.29421  -0.643518    1.27693  0.929693 0.395946  0.757684 0.351598  
1 1 1 29 20 37 o 0.509997 0.251158  -1.57373     0.890582 -0.917257    1.22757  -2.30318     1.29401  0.699421 0.330271  0.600187 0.296167  
1 1 1 29 20 38 o 1.64883  0.29484   3.20824      0.937181 2.29567      1.32378  4.12521      1.32697  1.2741   0.433761  1.7858   0.382605  
1 1 1 29 20 39 o 0.905803 0.363413  0.950788     1.00264  1.51592      1.41842  0.386418     1.41746  1.04487  0.42718   0.861582 0.388624  
1 1 1 29 20 40 o 0.792675 0.343968  0.539701     1.0106   0.00184644   1.40614  1.11436      1.45345  0.782306 0.365305  0.935123 0.409139  
1 1 1 29 20 41 o 0.665121 0.312052  -0.0642556   1.05725  -0.961215    1.50546  0.808611     1.4851   0.665918 0.327492  0.822072 0.380593  
1 1 1 29 20 42 o 0.706052 0.324473  0.423335     1.05492  -1.40764     1.54057  2.03985      1.44754  0.619376 0.308711  0.938735 0.409532  
1 1 1 29 21 0  o 3.98718  0.110405  15.9367      0.878882 15.9367      0.878882 15.9367      0.878882 3.98964  0.0779518 ?        ?         
1 1 1 29 21 1  o 6.1256   0.0698887 37.5277      0.856221 38.2381      1.23491  36.8701      1.1882   6.18289  0.0998653 6.07131  0.0978535 
1 1 1 29 21 2  f 8.00443  0.0741074 64.0801      1.18637  63.1098      1.67066  65.0672      1.68501  7.943    0.105166  8.06525  0.104461  
1 1 1 29 21 3  o 7.20524  0.0705708 51.9224      1.01696  52.2302      1.40569  51.5844      1.47308  7.22612  0.0972642 7.18121  0.102565  
1 1 1 29 21 4  o 12.5039  0.101732  156.392      2.5441   155.279      3.47214  157.683      3.73839  12.4577  0.139357  12.5533  0.1489    
1 1 1 29 21 5  o 6.70751  0.0741212 44.9977      0.994338 46.8737      1.42249  43.2053      1.39047  6.84538  0.103902  6.57202  0.105787  
1 1 1 29 21 6  o 9.78086  0.0859819 95.6861      1.68195  98.089       2.45624  93.5646      2.30797  9.90172  0.124031  9.67083  0.119326  
1 1 1 29 21 7  o 9.58938  0.0896497 91.9792      1.71937  89.2234      2.40969  94.8374      2.45403  9.44342  0.127586  9.73604  0.126028  
1 1 1 29 21 8  o 2.31512  0.141572  5.36333      0.655513 5.55101      0.963725 5.20174      0.89424  2.35442  0.204663  2.27927  0.196168  
1 1 1 29 21 9  o 10.0057  0.0866417 100.141      1.73382  103.147      2.53361  97.4931      2.37777  10.1532  0.124769  9.87121  0.12044   
1 1 1 29 21 10 o 4.63967  0.0821978 21.5325      0.762741 22.3882      1.0857   20.6987      1.07179  4.73031  0.11476   4.54826  0.117824  
1 1 1 29 21 11 o 8.93487  0.0857307 79.859       1.53199  78.8446      2.15198  80.9013      2.18143  8.8764   0.121219  8.99143  0.121306  
1 1 1 29 21 12 o 10.0828  0.0865222 101.702      1.74477  103.788      2.5508   99.8674      2.39182  10.1835  0.125241  9.98971  0.119714  
1 1 1 29 21 13 o 7.87733  0.0824913 62.0763      1.29962  62.5552      1.81275  61.5698      1.86421  7.90625  0.114641  7.84351  0.118838  
1 1 1 29 21 14 o 9.16363  0.0857941 84.0109      1.57237  83.0828      2.26959  84.8676      2.18042  9.11049  0.124559  9.20826  0.118395  
1 1 1 29 21 15 o 12.7179  0.0994837 161.858      2.53044  161.564      3.52555  162.17       3.63409  12.702   0.138779  12.7253  0.14279   
1 1 1 29 21 16 o 4.53793  0.0791458 20.6035      0.718315 19.3463      1.00487  21.9171      1.0272   4.39604  0.114293  4.67922  0.109762  
1 1 1 29 21 17 o 9.26381  0.0844115 85.8805      1.56394  84.5065      2.14857  87.4289      2.28086  9.18641  0.116943  9.34333  0.122058  
1 1 1 29 21 18 o 3.60508  0.101032  13.0114      0.728455 12.4155      0.998893 13.6883      1.06463  3.5196   0.141904  3.69548  0.144045  
1 1 1 29 21 19 o 3.92049  0.0968606 15.3887      0.759481 13.9601      1.07409  16.8172      1.07405  3.73136  0.143927  4.09635  0.131098  
1 1 1 29 21 20 f 8.24848  0.0833391 68.106       1.37484  67.1514      1.95517  69.0398      1.93365  8.18606  0.11942   8.30079  0.116474  
1 1 1 29 21 21 o 3.51217  0.103711  12.3573      0.728504 12.3811      1.01674  12.3322      1.04433  3.51254  0.144731  3.50523  0.148967  
1 1 1 29 21 22 o 4.44078  0.0901872 19.7512      0.801003 20.9699      1.15485  18.6213      1.11194  4.57233  0.126287  4.30841  0.129044  
1 1 1 29 21 23 o 2.42692  0.137987  5.91354      0.669768 6.35748      0.945869 5.4671       0.948526 2.51212  0.188261  2.32811  0.203712  
1 1 1 29 21 24 o 2.48547  0.140757  6.20735      0.699694 5.92217      0.980944 6.50273      0.998319 2.4215   0.202549  2.53813  0.196664  
1 1 1 29 21 25 o 1.91823  0.183217  3.7148       0.702908 2.95156      0.975127 4.54035      1.01414  1.67219  0.302687  2.11369  0.239899  
1 1 1 29 21 26 o 3.90254  0.107286  15.2858      0.837379 15.0086      1.19743  15.5511      1.17147  3.85912  0.155143  3.92941  0.149064  
1 1 1 29 21 27 o 2.27254  0.171332  5.21901      0.778717 5.94598      1.09767  4.48242      1.10491  2.41595  0.227172  2.09089  0.264221  
1 1 1 29 21 28 o 3.15719  0.133493  10.0375      0.842925 11.1223      1.17724  8.89626      1.20749  3.31457  0.177586  2.95859  0.204065  
1 1 1 29 21 29 o 3.16309  0.132989  10.0859      0.841316 10.2794      1.23251  9.91711      1.15124  3.17899  0.193853  3.12503  0.184197  
1 1 1 29 21 30 o 1.96453  0.202722  3.94352      0.796507 3.17327      1.11168  4.75605      1.14178  1.70496  0.338032  2.14071  0.266683  
1 1 1 29 21 31 o 1.25334  0.354838  1.74044      0.929689 0.668933     1.26233  3.01057      1.37436  1.00747  0.406289  1.62108  0.420434  
1 1 1 29 21 32 o 2.11899  0.211249  4.62742      0.895269 4.99125      1.19988  4.17051      1.34465  2.1782   0.27543   1.93344  0.361146  
1 1 1 29 21 33 o 1.25854  0.345617  1.78615      0.896149 1.21604      1.21717  2.46102      1.32428  1.10893  0.411894  1.44876  0.427878  
1 1 1 29 21 34 o 0.896048 0.351727  0.644302     0.918539 2.81437      1.3904   -1.03623     1.22356  1.52733  0.434433  0.709207 0.333374  
1 1 1 29 21 35 o 1.96035  0.224275  4.0544       0.879313 3.0096       1.23656  5.12312      1.25064  1.57837  0.39281   2.16671  0.288602  
1 1 1 29 21 36 o 0.681859 0.309447  -0.285123    0.912703 1.30635      1.3651   -1.57168     1.22737  1.09902  0.42932   0.641334 0.310376  
1 1 1 29 21 37 o 1.73371  0.275707  3.36455      0.955992 2.26959      1.37295  4.39508      1.33194  1.29315  0.441742  1.89067  0.365277  
1 1 1 29 21 38 o 0.87325  0.34851   0.771359     0.915728 1.55655      1.30738  0.0151496    1.28303  1.08947  0.421262  0.809493 0.367182  
1 1 1 29 21 39 o 0.585446 0.283274  -1.0516      1.0205   -0.322552    1.4528   -1.76171     1.4338   0.771869 0.362956  0.645003 0.317712  
1 1 1 29 21 40 o 0.695618 0.318179  0.00238259   1.00122  0.331218     1.42725  -0.316226    1.40488  0.817217 0.376339  0.742127 0.351767  
1 1 1 29 21 41 o 0.661627 0.310231  -0.00331311  1.03941  0.881376     1.48124  -0.861527    1.4589   0.815577 0.378548  0.656352 0.322659  
1 1 1 29 21 42 o 0.724196 0.332431  0.764983     1.1038   0.775242     1.61893  0.756071     1.50888  0.733645 0.355295  0.730076 0.351356  
1 1 1 29 22 0  o 21.935   0.242075  481.716      10.6169  481.716      10.6169  481.716      10.6169  21.9415  0.171099  ?        ?         
1 1 1 29 22 1  o 13.5398  0.101394  183.38       2.7457   184.95       3.85732  181.767      3.90922  13.5958  0.141858  13.4781  0.145022  
1 1 1 29 22 2  o 11.9836  0.0940786 143.643      2.2548   143.218      3.13335  144.1        3.24724  11.9644  0.130945  12.001   0.13529   
1 1 1 29 22 3  o 4.1073   0.0724102 16.8725      0.59482  16.2715      0.851347 17.4456      0.831414 4.03313  0.105544  4.17619  0.099542  
1 1 1 29 22 4  o 14.7702  0.112098  218.242      3.31143  216.485      4.69879  219.975      4.66751  14.7078  0.159738  14.826   0.157409  
1 1 1 29 22 5  o 3.40467  0.0941328 11.595       0.640983 12.5484      0.902801 10.6258      0.910218 3.54148  0.127461  3.25874  0.139658  
1 1 1 29 22 6  o 10.4474  0.104543  109.186      2.18439  108.493      3.13721  109.838      3.04331  10.4122  0.150651  10.4768  0.14524   
1 1 1 29 22 7  o 3.46036  0.0996634 11.9782      0.689744 13.2629      0.99515  10.7906      0.956866 3.64064  0.136672  3.28369  0.1457    
1 1 1 29 22 8  o 13.0065  0.103686  169.237      2.69717  171.9        3.96363  166.94       3.68081  13.1053  0.151222  12.9155  0.142496  
1 1 1 29 22 9  o 3.13136  0.0986722 9.80947      0.617956 8.14901      0.852072 11.6519      0.897545 2.85328  0.149314  3.41222  0.131519  
1 1 1 29 22 10 o 9.22864  0.0957928 85.2042      1.76808  84.3165      2.53886  86.04        2.46371  9.17829  0.138308  9.27194  0.132858  
1 1 1 29 22 11 o 19.2692  0.145311  371.701      5.60003  369.984      7.89278  373.441      7.94676  19.2143  0.205388  19.3038  0.205834  
1 1 1 29 22 12 o 7.65963  0.0808129 58.6913      1.23799  61.9946      1.84352  55.9781      1.67077  7.87065  0.117114  7.47925  0.111694  
1 1 1 29 22 13 o 7.83495  0.0799095 61.4106      1.25217  60.9811      1.76853  61.8423      1.77316  7.80593  0.113281  7.86088  0.112784  
1 1 1 29 22 14 o 8.02317  0.0767014 64.3974      1.23078  64.4473      1.75428  64.3491      1.72719  8.02455  0.109307  8.01854  0.1077    
1 1 1 29 22 15 o 1.63523  0.17233   2.68025      0.563599 2.40344      0.801727 2.95069      0.792452 1.52266  0.273175  1.71411  0.231156  
1 1 1 29 22 16 o 2.80226  0.110941  7.86181      0.621772 9.09687      0.861043 6.51603      0.898808 3.0132   0.142879  2.54891  0.176312  
1 1 1 29 22 17 o 14.4604  0.114748  209.402      3.31861  204.82       4.61093  214.327      4.7801   14.2915  0.161317  14.6188  0.163491  
1 1 1 29 22 18 o 2.83931  0.115862  8.07472      0.657934 9.27768      0.910268 6.75877      0.952058 3.04181  0.149626  2.59448  0.183478  
1 1 1 29 22 19 o 1.44326  0.222995  2.0974       0.64368  1.95742      0.914611 2.23477      0.906051 1.3616   0.337195  1.45653  0.319736  
1 1 1 29 22 20 o 3.24184  0.105696  10.5277      0.685298 10.784       0.978845 10.2813      0.959754 3.27819  0.149297  3.20082  0.149923  
1 1 1 29 22 21 o 4.99677  0.0865638 25.0012      0.865079 24.1151      1.21165  25.9226      1.23551  4.90399  0.123537  5.08468  0.121494  
1 1 1 29 22 22 o 3.47886  0.106573  12.1302      0.741506 11.4783      1.06137  12.7517      1.03637  3.3796   0.157026  3.56339  0.145419  
1 1 1 29 22 23 o 2.37234  0.138581  5.65229      0.657522 5.42383      0.930057 5.88057      0.929697 2.31851  0.200572  2.41501  0.192483  
1 1 1 29 22 24 o 3.52461  0.109094  12.462       0.769024 13.9347      1.0936   11.0213      1.08162  3.72239  0.146895  3.30824  0.163474  
1 1 1 29 22 25 o 3.93788  0.105599  15.5586      0.831676 15.5279      1.19036  15.5879      1.16247  3.92715  0.151555  3.93539  0.147695  
1 1 1 29 22 26 o 1.96583  0.180745  3.90755      0.710628 3.95216      0.989683 3.86006      1.02101  1.96668  0.251613  1.94173  0.262912  
1 1 1 29 22 27 o 2.46713  0.167133  6.14743      0.824679 6.70797      1.13132  5.51185      1.20467  2.56758  0.22031   2.31967  0.259664  
1 1 1 29 22 28 o 1.7816   0.210853  3.23056      0.751312 3.4749       1.02787  2.95026      1.10092  1.83534  0.280021  1.65053  0.344734  
1 1 1 29 22 29 f 2.12007  0.182139  4.56921      0.772294 5.57454      1.11186  3.63201      1.07353  2.3283   0.238771  1.86785  0.28737   
1 1 1 29 22 30 f 2.72121  0.15597   7.50739      0.848855 7.88658      1.20321  7.13165      1.19773  2.77126  0.217088  2.63189  0.227542  
1 1 1 29 22 31 o 0.547961 0.265371  -1.40321     0.903138 -1.40595     1.23661  -1.40007     1.32214  0.684535 0.326663  0.716359 0.340355  
1 1 1 29 22 32 o 1.36686  0.317584  2.07741      0.852385 1.42143      1.19785  2.75032      1.2132   1.16096  0.411157  1.545    0.391869  
1 1 1 29 22 33 o 2.50977  0.198338  6.49005      0.995567 5.3766       1.39192  7.65628      1.42454  2.23665  0.311162  2.69528  0.264265  
1 1 1 29 22 34 o 1.44297  0.318104  2.34612      0.893336 3.00671      1.28108  1.72083      1.24637  1.59209  0.402006  1.22738  0.420864  
1 1 1 29 22 35 o 2.85665  0.167314  8.42697      0.955915 8.30439      1.38583  8.53823      1.32029  2.78279  0.249     2.83364  0.232966  
1 1 1 29 22 36 o 0.757931 0.325872  0.179944     0.891377 0.260294     1.29971  0.108586     1.22482  0.885242 0.387108  0.842134 0.371712  
1 1 1 29 22 37 o 0.897898 0.350698  0.827362     0.910816 1.81831      1.28652  -0.168446    1.28967  1.171    0.424954  0.797285 0.363426  
1 1 1 29 22 38 o 0.732068 0.320426  0.173787     0.892225 -0.574583    1.26216  0.921302     1.26144  0.725554 0.340504  0.948699 0.396812  
1 1 1 29 22 39 o 0.711616 0.32313   0.0513926    0.998253 0.222927     1.42804  -0.112531    1.396    0.8198   0.377071  0.774759 0.362604  
1 1 1 29 22 40 o 0.922154 0.370593  1.29065      1.04512  0.462457     1.50471  2.06259      1.45271  0.816188 0.379871  1.04848  0.431092  
1 1 1 29 22 41 o 0.639832 0.301533  -0.15883     1.01348  0.640899     1.48582  -0.854656    1.38594  0.793513 0.371864  0.647468 0.317115  
1 1 1 29 23 0  f 3.44748  0.131515  11.94        0.903794 11.94        0.903794 11.94        0.903794 3.45148  0.0927318 ?        ?         
1 1 1 29 23 1  o 11.1089  0.0893585 123.438      1.98535  124.219      2.85491  122.707      2.76277  11.1425  0.128109  11.0747  0.124734  
1 1 1 29 23 2  o 12.2773  0.0927991 150.773      2.27865  154.053      3.19456  147.377      3.25118  12.4086  0.128724  12.1365  0.133942  
1 1 1 29 23 3  o 21.1899  0.149782  449.332      6.34775  451.792      9.0292   446.929      8.92584  21.2402  0.21255   21.1258  0.211255  
1 1 1 29 23 4  o 8.45262  0.0799324 71.4618      1.35128  69.3195      1.87788  73.7621      1.94592  8.3241   0.112798  8.58668  0.113311  
1 1 1 29 23 5  o 7.8299   0.079805  61.3207      1.24973  61.1417      1.74456  61.5095      1.79112  7.81763  0.111579  7.84103  0.114215  
1 1 1 29 23 6  o 12.0807  0.103477  146          2.50014  145.442      3.51337  146.574      3.55852  12.0552  0.14572   12.1019  0.147023  
1 1 1 29 23 7  o 5.64273  0.0849495 31.8496      0.958695 31.223       1.37435  32.4435      1.33799  5.58605  0.123016  5.69434  0.117484  
1 1 1 29 23 8  o 4.38959  0.0838692 19.2744      0.736303 20.6999      1.03561  17.8173      1.04706  4.5484   0.113843  4.21961  0.124071  
1 1 1 29 23 9  o 7.39824  0.0823725 54.7516      1.21882  54.0454      1.69634  55.5052      1.75238  7.34923  0.115409  7.44773  0.117645  
1 1 1 29 23 10 o 3.77259  0.0919671 14.2386      0.693909 13.7209      0.970338 14.7804      0.992714 3.70255  0.131036  3.84289  0.129162  
1 1 1 29 23 11 o 13.1575  0.10714   173.23       2.81938  174.271      3.95818  172.158      4.01689  13.1929  0.150012  13.1123  0.153173  
1 1 1 29 23 12 o 3.04656  0.0915399 9.28626      0.557763 10.5393      0.843802 8.31388      0.743311 3.24474  0.130026  2.8819   0.128962  
1 1 1 29 23 13 o 5.02056  0.0750501 25.2156      0.753587 25.7178      1.06192  24.7061      1.06959  5.06937  0.104739  4.96855  0.107636  
1 1 1 29 23 14 o 3.41881  0.089001  11.6954      0.608556 10.8594      0.866308 12.5098      0.855059 3.29316  0.131532  3.53491  0.120945  
1 1 1 29 23 15 f 2.19383  0.129502  4.82014      0.568209 5.26743      0.807695 4.38188      0.799506 2.29188  0.176208  2.08985  0.191283  
1 1 1 29 23 16 o 3.87739  0.0864675 15.046       0.670537 15.1922      0.950849 14.9015      0.945737 3.89467  0.12207   3.85721  0.122593  
1 1 1 29 23 17 o 9.32963  0.085675  87.1154      1.59863  87.3115      2.23196  86.9088      2.2908   9.33636  0.119531  9.31435  0.122972  
1 1 1 29 23 18 o 4.94048  0.0817249 24.4299      0.807519 23.6183      1.12247  25.3006      1.1626   4.85556  0.115586  5.02551  0.11567   
1 1 1 29 23 19 o 2.66959  0.122994  7.14259      0.656688 6.98047      0.945288 7.2938       0.91295  2.63576  0.17932   2.69496  0.169381  
1 1 1 29 23 20 o 5.66201  0.0812602 32.0939      0.920192 32.6082      1.32635  31.6167      1.27771  5.70383  0.116268  5.61672  0.113742  
1 1 1 29 23 21 f 1.637    0.202844  2.70092      0.66411  1.5818       0.927726 3.87714      0.951097 1.22938  0.356556  1.95799  0.242875  
1 1 1 29 23 22 o 2.03622  0.159611  4.16846      0.650008 4.81919      0.951499 3.59903      0.890073 2.18446  0.217788  1.88617  0.235947  
1 1 1 29 23 23 o 3.5569   0.101743  12.6832      0.72378  12.4212      1.02302  12.9458      1.02414  3.51539  0.145505  3.58921  0.142669  
1 1 1 29 23 24 o 3.57835  0.108012  12.8468      0.773012 13.4368      1.09064  12.2512      1.09578  3.65424  0.14923   3.48815  0.157072  
1 1 1 29 23 25 f 3.54344  0.110185  12.604       0.780872 13.2066      1.12113  12.0362      1.08825  3.62034  0.154837  3.45575  0.157455  
1 1 1 29 23 26 o 5.64554  0.0945837 31.975       1.06795  31.7968      1.51677  32.1502      1.50393  5.62032  0.134937  5.65199  0.133044  
1 1 1 29 23 27 o 1.7677   0.217692  3.18116      0.769629 3.98142      1.04248  2.22247      1.14102  1.96915  0.264703  1.4258   0.3893    
1 1 1 29 23 28 o 3.77813  0.118006  14.3587      0.891686 15.1592      1.25496  13.5425      1.2672   3.87179  0.162064  3.6566   0.173276  
1 1 1 29 23 29 o 0.614551 0.279488  -0.409348    0.753228 0.00921935   1.06846  -0.822886    1.06202  0.823585 0.355474  0.688993 0.320079  
1 1 1 29 23 30 o 2.0706   0.205654  4.39341      0.851656 4.20844      1.1831   4.59234      1.22695  2.00087  0.295646  2.09091  0.293399  
1 1 1 29 23 31 o 0.662742 0.301908  -0.464478    0.886964 -2.86832     1.21456  2.28244      1.29834  0.55624  0.276804  1.4115   0.425134  
1 1 1 29 23 32 o 1.93602  0.232611  3.9007       0.900678 3.62594      1.25772  4.18994      1.29041  1.79204  0.363586  1.96903  0.327677  
1 1 1 29 23 33 o 1.11422  0.367266  1.3707       0.949027 2.2923       1.30919  0.35012      1.37769  1.39162  0.428484  0.956504 0.407975  
1 1 1 29 23 34 o 2.25279  0.207547  5.29458      0.935118 4.65458      1.35238  5.88091      1.29443  2.04901  0.330009  2.33731  0.276907  
1 1 1 29 23 35 o 2.35105  0.194468  5.78361      0.914407 4.90187      1.3031   6.63897      1.28346  2.09367  0.3112    2.47711  0.259063  
1 1 1 29 23 36 o 0.619011 0.290308  -0.666864    0.911872 -1.32832     1.28373  0.00680506   1.29552  0.676882 0.325347  0.838543 0.375133  
1 1 1 29 23 37 o 0.836163 0.340238  0.620421     0.895539 0.439178     1.26219  0.80415      1.27082  0.874052 0.381854  0.939208 0.395823  
1 1 1 29 23 38 f 0.816685 0.343338  0.565336     0.952259 1.43703      1.39422  -0.196885    1.30373  1.03826  0.423839  0.77029  0.356611  
1 1 1 29 23 39 o 0.781363 0.343749  0.440813     1.03763  0.899916     1.51238  0.0325071    1.42626  0.910785 0.406439  0.791617 0.368976  
1 1 1 29 23 40 o 0.752375 0.334799  0.538294     1.01973  -0.196254    1.44545  1.26611      1.43881  0.723873 0.347276  0.889518 0.396703  
1 1 1 29 23 41 o 0.659282 0.30918   0.010515     1.03385  1.93441      1.55684  -1.50718     1.38275  0.939535 0.416325  0.59695  0.296825  
1 1 1 29 24 0  o 3.75473  0.113649  14.1398      0.851671 14.1398      0.851671 14.1398      0.851671 3.75752  0.080218  ?        ?         
1 1 1 29 24 1  f 15.8727  0.113791  252.053      3.61231  253.575      5.08285  250.5        5.13471  15.9171  0.159667  15.82    0.162285  
1 1 1 29 24 2  o 13.4373  0.104842  180.63       2.81759  180.935      4.19934  180.38       3.79987  13.4455  0.156162  13.4259  0.141513  
1 1 1 29 24 3  o 20.4127  0.148043  417.008      6.04393  419.44       8.5899   414.624      8.50553  20.4639  0.209879  20.3463  0.209019  
1 1 1 29 24 4  o 8.71416  0.0813664 75.9555      1.41808  75.3753      1.96839  76.5817      2.04472  8.67978  0.113389  8.74884  0.116857  
1 1 1 29 24 5  o 7.57933  0.080264  57.461       1.2167   57.3279      1.68668  57.6054      1.75679  7.56963  0.111411  7.58778  0.115765  
1 1 1 29 24 6  o 7.68245  0.0900904 59.0405      1.38423  63.3981      2.08248  55.5912      1.85278  7.95934  0.13082   7.45346  0.12429   
1 1 1 29 24 7  o 13.484   0.116877  181.931      3.15193  183.109      4.76162  181.013      4.20507  13.5221  0.176067  13.4465  0.156363  
1 1 1 29 24 8  o 13.2897  0.11567   176.732      3.07445  175.916      4.34465  177.55       4.35121  13.2547  0.163891  13.3161  0.163381  
1 1 1 29 24 9  o 11.9755  0.107671  143.501      2.57883  141.19       3.50826  146.217      3.80366  11.8756  0.147709  12.0842  0.157381  
1 1 1 29 24 10 o 4.67034  0.0847548 21.8209      0.791666 22.0978      1.09968  21.523       1.14061  4.69902  0.117012  4.63731  0.122982  
1 1 1 29 24 11 o 3.70346  0.0930637 13.7229      0.689315 12.9166      0.92576  14.7261      1.03265  3.59213  0.128859  3.83532  0.134624  
1 1 1 29 24 12 o 6.60326  0.082552  43.6231      1.09023  44.5493      1.61493  42.8475      1.4778   6.6712   0.121038  6.54296  0.112931  
1 1 1 29 24 13 o 3.42865  0.0844702 11.762       0.579237 11.8739      0.838668 11.6599      0.800963 3.44391  0.121761  3.41286  0.117345  
1 1 1 29 24 14 o 6.33398  0.0722493 40.1375      0.91525  41.5107      1.31976  38.8652      1.27037  6.43992  0.102467  6.23137  0.101934  
1 1 1 29 24 15 o 8.15915  0.0789018 66.6145      1.28754  66.0148      1.81165  67.2266      1.83021  8.11977  0.111558  8.19395  0.111681  
1 1 1 29 24 16 o 6.5637   0.0752166 43.1095      0.987399 43.887       1.35825  42.238       1.43794  6.62082  0.102574  6.49461  0.110703  
1 1 1 29 24 17 o 3.09899  0.106583  9.61754      0.6606   7.865        0.89552  11.7096      0.978437 2.79993  0.159918  3.4175   0.143151  
1 1 1 29 24 18 o 2.36376  0.129836  5.60076      0.613801 4.65212      0.866652 6.55554      0.869446 2.15064  0.201487  2.55509  0.17014   
1 1 1 29 24 19 o 5.81043  0.0797239 33.7952      0.92646  34.14        1.32639  33.4667      1.29461  5.8369   0.113621  5.77923  0.112005  
1 1 1 29 24 20 o 3.4157   0.103184  11.6896      0.704889 12.2547      1.01841  11.1699      0.976626 3.4939   0.145741  3.33563  0.146393  
1 1 1 29 24 21 o 3.9614   0.0958508 15.7219      0.759407 15.4633      1.06282  15.9917      1.08546  3.92508  0.135388  3.99152  0.135971  
1 1 1 29 24 22 o 1.92765  0.167926  3.73944      0.647403 4.27663      0.938373 3.25148      0.894346 2.05602  0.228201  1.7907   0.24972   
1 1 1 29 24 23 o 4.43074  0.0914182 19.6747      0.810101 20.1314      1.14717  19.2204      1.14415  4.47719  0.128113  4.37433  0.13078   
1 1 1 29 24 24 o 3.26815  0.113454  10.7216      0.741568 10.4769      1.04826  10.9668      1.04921  3.22424  0.162558  3.29932  0.159005  
1 1 1 29 24 25 o 3.54022  0.107726  12.582       0.762746 13.0776      1.10178  12.1259      1.05699  3.60202  0.152939  3.46858  0.152366  
1 1 1 29 24 26 o 1.83308  0.212573  3.41454      0.779329 1.71243      1.09162  5.18385      1.11296  1.26884  0.391383  2.25209  0.247095  
1 1 1 29 24 27 o 3.47153  0.123411  12.1245      0.856846 11.359       1.15181  13.073       1.28217  3.35062  0.171881  3.5929   0.178431  
1 1 1 29 24 28 o 3.35532  0.128685  11.3496      0.863555 10.3933      1.18356  12.4383      1.26279  3.1973   0.185088  3.49916  0.180441  
1 1 1 29 24 29 o 2.69221  0.147626  7.33437      0.79488  6.28799      1.10698  8.44819      1.1421   2.47383  0.223738  2.87562  0.198583  
1 1 1 29 24 30 o 2.58906  0.168598  6.81871      0.873023 6.00913      1.24055  7.61304      1.22882  2.40305  0.25812   2.71716  0.226121  
1 1 1 29 24 31 o 2.55009  0.18784   6.66288      0.958016 7.57094      1.34118  5.71687      1.36892  2.69402  0.248918  2.32176  0.294802  
1 1 1 29 24 32 o 1.84936  0.24819   3.58081      0.917986 3.75761      1.31296  3.41172      1.28398  1.81802  0.373914  1.72559  0.38218   
1 1 1 29 24 33 o 3.04001  0.167341  9.46915      1.01744  9.99275      1.40739  8.89591      1.47258  3.09155  0.227618  2.90165  0.253749  
1 1 1 29 24 34 o 2.59304  0.181177  6.96469      0.939599 8.03333      1.3748   6.02803      1.28711  2.7417   0.250721  2.36123  0.272552  
1 1 1 29 24 35 o 1.05212  0.356225  1.27347      0.892823 1.18074      1.257    1.36789      1.26837  1.06001  0.412403  1.10469  0.418188  
1 1 1 29 24 36 o 0.789817 0.333082  0.357927     0.90086  1.64222      1.32303  -0.752201    1.23006  1.14399  0.428531  0.714773 0.335571  
1 1 1 29 24 37 o 2.90385  0.16896   8.88667      0.981266 8.63103      1.3916   9.13948      1.38387  2.77921  0.25036   2.87098  0.24101   
1 1 1 29 24 38 o 1.15681  0.385445  1.91636      1.0453   2.62329      1.485    1.22209      1.47165  1.26144  0.45668   0.984432 0.420828  
1 1 1 29 24 39 o 1.58798  0.335628  3.37931      1.03302  3.2347       1.46448  3.52251      1.45736  1.35731  0.45623   1.4335   0.454089  
1 1 1 29 24 40 o 0.708727 0.323826  0.307287     1.03395  0.726619     1.49843  -0.0738396   1.42854  0.807404 0.377054  0.721048 0.345755  
1 1 1 29 24 41 o 0.766898 0.339078  0.884947     1.02506  1.43607      1.48226  0.379779     1.41911  0.834993 0.384103  0.722436 0.345984  
1 1 1 29 25 0  f 11.5123  0.128458  132.627      2.95689  132.627      2.95689  132.627      2.95689  11.5143  0.0908053 ?        ?         
1 1 1 29 25 1  o 3.27142  0.0851846 10.7053      0.55735  10.504       0.766722 10.9309      0.811615 3.24007  0.118319  3.30519  0.122779  
1 1 1 29 25 2  o 12.938   0.0967677 167.455      2.50396  168.235      3.54256  166.677      3.53972  12.9656  0.136614  12.9054  0.137141  
1 1 1 29 25 3  o 4.04512  0.072663  16.3666      0.587861 17.3003      0.817437 15.3665      0.846022 4.15851  0.0982848 3.91905  0.107937  
1 1 1 29 25 4  o 4.73926  0.0830751 22.4674      0.78743  23.2984      1.18296  21.8063      1.05515  4.82523  0.122581  4.6684   0.11301   
1 1 1 29 25 5  o 6.30474  0.0811999 39.7616      1.02389  38.915       1.39494  40.7506      1.50761  6.23639  0.111838  6.38157  0.118122  
1 1 1 29 25 6  o 4.93225  0.0976063 24.3382      0.962838 24.3978      1.41065  24.2862      1.31744  4.93699  0.142865  4.92599  0.133724  
1 1 1 29 25 7  o 13.6266  0.119682  185.819      3.26172  189.004      4.617    182.646      4.60856  13.7381  0.168037  13.5047  0.170628  
1 1 1 29 25 8  o 6.78837  0.0871387 46.1009      1.18306  44.9157      1.66878  47.2984      1.67745  6.69913  0.124552  6.87464  0.122003  
1 1 1 29 25 9  o 6.63203  0.0852706 44.0022      1.13103  44.2935      1.60693  43.7163      1.59222  6.65254  0.120776  6.60907  0.120457  
1 1 1 29 25 10 o 4.00311  0.102263  16.0353      0.818741 16.3135      1.12671  15.724       1.19178  4.03654  0.139564  3.96255  0.15038   
1 1 1 29 25 11 o 6.48863  0.0783689 42.1198      1.01701  43.7251      1.48694  40.7087      1.39409  6.60963  0.112483  6.37773  0.109294  
1 1 1 29 25 12 o 7.65954  0.0813146 58.6977      1.24566  59.1135      1.74162  58.2622      1.78236  7.68479  0.113316  7.62902  0.116814  
1 1 1 29 25 13 o 7.39024  0.0754549 54.6422      1.11526  55.9391      1.60442  53.4297      1.55135  7.47554  0.107311  7.30602  0.106169  
1 1 1 29 25 14 o 3.21415  0.0880835 10.3389      0.566228 10.5392      0.817349 10.154       0.785154 3.24383  0.125985  3.18411  0.123293  
1 1 1 29 25 15 o 4.81722  0.0749156 23.2199      0.72177  24.0702      1.02099  22.3705      1.02048  4.90322  0.104115  4.72673  0.107948  
1 1 1 29 25 16 o 6.6885   0.0769513 44.7684      1.02938  46.5581      1.45278  42.9639      1.45875  6.81862  0.106531  6.54972  0.11136   
1 1 1 29 25 17 o 4.02956  0.0854503 16.2538      0.688654 15.9868      0.966068 16.5295      0.981934 3.99431  0.120931  4.06154  0.120882  
1 1 1 29 25 18 o 7.65897  0.0770409 58.7126      1.18011  58.3226      1.66928  59.1024      1.66857  7.62992  0.10939   7.68085  0.108619  
1 1 1 29 25 19 o 4.57713  0.0844416 20.9761      0.773001 20.0206      1.07699  21.9912      1.11014  4.46878  0.120502  4.68374  0.11851   
1 1 1 29 25 20 o 3.42326  0.102823  11.743       0.703979 12.3675      1.00764  11.1475      0.983934 3.50968  0.143552  3.3317   0.147663  
1 1 1 29 25 21 o 2.97918  0.11233   8.89934      0.669305 7.54364      0.960958 10.1766      0.932752 2.73769  0.175505  3.18289  0.146526  
1 1 1 29 25 22 o 0.82731  0.299094  0.585887     0.636776 0.90441      0.882917 0.240606     0.919255 0.997671 0.353027  0.830559 0.34245   
1 1 1 29 25 23 o 0.571431 0.258479  -0.330579    0.631464 0.10661      0.875863 -0.803795    0.911236 0.78115  0.32888   0.633433 0.295122  
1 1 1 29 25 24 o 2.31565  0.149344  5.39977      0.691658 5.54261      0.990142 5.26365      0.966586 2.33776  0.211771  2.27812  0.212146  
1 1 1 29 25 25 o 2.13647  0.170741  4.61262      0.729568 4.45878      1.02345  4.77156      1.04028  2.08894  0.244969  2.16178  0.240608  
1 1 1 29 25 26 o 1.44219  0.267266  2.19905      0.741953 2.63194      1.03794  1.74672      1.061    1.55992  0.342032  1.27653  0.384283  
1 1 1 29 25 27 o 2.46782  0.153967  6.14884      0.759927 5.12856      1.03476  7.34341      1.11966  2.24019  0.230953  2.68598  0.208426  
1 1 1 29 25 28 f 3.1228   0.132723  9.83869      0.828933 10.7523      1.17349  8.92877      1.17109  3.25249  0.180398  2.95903  0.197885  
1 1 1 29 25 29 o 0.609956 0.27926   -0.482865    0.7733   0.575334     1.10061  -1.51459     1.08675  0.946576 0.380346  0.616534 0.297073  
1 1 1 29 25 30 o 2.83277  0.156456  8.14904      0.886407 7.97613      1.23993  8.32979      1.26767  2.78033  0.222982  2.84126  0.223083  
1 1 1 29 25 31 o 4.05905  0.130699  16.6857      1.06103  17.2339      1.43955  16.0336      1.56995  4.10477  0.17535   3.94665  0.198897  
1 1 1 29 25 32 o 1.73518  0.272948  3.1871       0.947229 3.15114      1.40298  3.21721      1.28407  1.63243  0.425449  1.66748  0.391335  
1 1 1 29 25 33 o 0.695362 0.311358  -0.235509    0.894247 -0.558162    1.237    0.1177       1.29425  0.771523 0.353218  0.889469 0.387648  
1 1 1 29 25 34 o 2.82604  0.172523  8.26469      0.975114 8.51685      1.41605  8.03728      1.34475  2.81605  0.251425  2.74011  0.245383  
1 1 1 29 25 35 f 0.501724 0.247137  -1.58398     0.867291 -0.467794    1.26131  -2.58504     1.19449  0.769273 0.35406   0.551371 0.274398  
1 1 1 29 25 36 o 1.396    0.33708   2.39107      0.931845 1.51812      1.33777  3.21383      1.29875  1.10198  0.426123  1.55443  0.411304  
1 1 1 29 25 37 f 0.74206  0.321372  0.239938     0.878912 -0.147551    1.21458  0.665898     1.27345  0.76802  0.350941  0.905383 0.389392  
1 1 1 29 25 38 o 2.5451   0.214873  7.25587      1.09374  7.37723      1.56424  7.13978      1.5299   2.40706  0.324928  2.37175  0.322526  
1 1 1 29 25 39 o 0.721316 0.324618  0.249554     0.983416 0.697212     1.40161  -0.184506    1.38016  0.847091 0.38403   0.740591 0.349914  
1 1 1 29 25 40 o 1.36868  0.363769  2.97407      1.01307  2.91537      1.44024  3.03156      1.42526  1.14486  0.442259  1.17631  0.443886  
1 1 1 29 25 41 o 0.677613 0.316102  0.445822     1.04957  0.550093     1.47847  0.339887     1.49022  0.711035 0.343508  0.695232 0.337949  
1 1 1 29 26 0  o 17.0652  0.16658   291.487      5.68422  291.487      5.68422  291.487      5.68422  17.0691  0.117751  ?        ?         
1 1 1 29 26 1  f 9.20061  0.0751468 84.6731      1.38279  83.74        1.89528  85.7352      2.022    9.14869  0.103582  9.25679  0.109217  
1 1 1 29 26 2  o 3.43432  0.0802041 11.7981      0.550894 11.6783      0.759778 11.9308      0.799935 3.41637  0.111197  3.45303  0.115831  
1 1 1 29 26 3  o 5.1959   0.0690661 27.0034      0.717721 26.9058      0.987734 27.1126      1.04468  5.18597  0.0952314 5.20573  0.100339  
1 1 1 29 26 4  o 8.22955  0.0871754 67.7506      1.43483  69.7356      2.15671  66.1744      1.92184  8.34738  0.129185  8.13199  0.118166  
1 1 1 29 26 5  o 12.5144  0.115554  156.717      2.8922   153.125      4.08533  160.327      4.09506  12.3658  0.165186  12.6536  0.161813  
1 1 1 29 26 6  o 12.6826  0.116538  160.964      2.95601  164.977      4.47121  157.848      3.93988  12.834   0.174194  12.5556  0.156898  
1 1 1 29 26 7  o 1.73278  0.205833  3.00964      0.713324 3.73152      1.02148  2.32255      0.996565 1.92794  0.264915  1.48976  0.34158   
1 1 1 29 26 8  f 4.07126  0.0990088 16.5848      0.806182 16.2592      1.14304  16.9071      1.13721  4.02986  0.141821  4.10949  0.138364  
1 1 1 29 26 9  o 5.24649  0.0889016 27.5395      0.932843 27.6289      1.28548  27.4399      1.3558   5.25381  0.122338  5.2355   0.129482  
1 1 1 29 26 10 o 2.11536  0.175753  4.48422      0.743558 5.39817      1.03862  3.5233       1.06498  2.31935  0.223902  1.87178  0.284482  
1 1 1 29 26 11 o 10.6628  0.0974578 113.777      2.07835  114.047      2.99846  113.527      2.88337  10.6712  0.140493  10.6475  0.135402  
1 1 1 29 26 12 f 5.41857  0.0821673 29.3778      0.890459 28.2107      1.23095  30.659       1.2897   5.30831  0.115945  5.53383  0.116529  
1 1 1 29 26 13 o 2.39199  0.108755  5.72836      0.520281 5.82754      0.739298 5.63105      0.732329 2.41123  0.153303  2.37018  0.154488  
1 1 1 29 26 14 o 10.7389  0.0881353 115.422      1.89296  115.8        2.69576  115.053      2.65871  10.7519  0.125362  10.7174  0.124038  
1 1 1 29 26 15 o 5.87241  0.0728317 34.5069      0.855395 34.4896      1.19409  34.5252      1.22596  5.86917  0.101726  5.872    0.104391  
1 1 1 29 26 16 o 7.17532  0.0756963 51.5251      1.08629  51.7522      1.53515  51.2973      1.53735  7.18837  0.10678   7.15664  0.107407  
1 1 1 29 26 17 o 2.8589   0.105472  8.1867       0.603067 8.82078      0.880604 7.62667      0.827594 2.96512  0.148494  2.75702  0.150088  
1 1 1 29 26 18 o 5.45911  0.079337  29.833       0.866219 28.903       1.2296   30.7492      1.22049  5.37027  0.114482  5.53958  0.110161  
1 1 1 29 26 19 o 8.0486   0.0790039 64.8558      1.27174  63.1551      1.73695  66.8209      1.86712  7.93811  0.109406  8.1644   0.114345  
1 1 1 29 26 20 o 2.48789  0.128769  6.21072      0.640728 5.97228      0.92122  6.43416      0.891751 2.43493  0.189168  2.52853  0.176338  
1 1 1 29 26 21 o 0.551949 0.250642  -0.347387    0.600785 -0.59573     0.876676 -0.127481    0.824957 0.650313 0.297572  0.710897 0.309658  
1 1 1 29 26 22 o 2.31253  0.147497  5.37889      0.682181 5.48949      0.954843 5.26358      0.974971 2.33003  0.204899  2.28047  0.213765  
1 1 1 29 26 23 o 3.19818  0.113436  10.2676      0.725578 11.2936      1.03667  9.28228      1.01589  3.34871  0.154786  3.03409  0.167413  
1 1 1 29 26 24 o 3.65158  0.105187  13.3835      0.768194 13.944       1.0935   12.8374      1.07941  3.72056  0.146954  3.56911  0.151216  
1 1 1 29 26 25 o 1.01173  0.322311  1.04979      0.733467 0.906512     1.03303  1.19545      1.04158  1.02626  0.379805  1.10842  0.384283  
1 1 1 29 26 26 o 3.46352  0.119229  12.0636      0.825905 12.7531      1.13886  11.2986      1.19951  3.55307  0.160264  3.34001  0.179567  
1 1 1 29 26 27 o 3.43888  0.117846  11.9032      0.810519 12.6109      1.14485  11.192       1.14765  3.52946  0.162185  3.32226  0.172721  
1 1 1 29 26 28 o 2.72222  0.147858  7.49671      0.805006 7.60718      1.13394  7.38445      1.14302  2.72683  0.207922  2.68516  0.212839  
1 1 1 29 26 29 o 1.16405  0.32618   1.48536      0.789543 0.919489     1.12678  2.0312       1.10666  1.03277  0.393219  1.34601  0.389116  
1 1 1 29 26 30 f 4.65512  0.111717  21.8516      1.04011  20.2456      1.46488  23.4844      1.47708  4.45929  0.16425   4.80813  0.153602  
1 1 1 29 26 31 o 2.27555  0.201634  5.33729      0.917654 5.72597      1.29686  4.94753      1.29866  2.32547  0.278839  2.15139  0.301819  
1 1 1 29 26 32 o 1.96287  0.230637  4.03069      0.90542  3.73824      1.28718  4.3171       1.27384  1.80542  0.369224  1.99159  0.319804  
1 1 1 29 26 33 o 0.85642  0.344941  0.527726     0.908298 0.772955     1.21096  0.21231      1.37336  0.984039 0.397483  0.91873  0.399857  
1 1 1 29 26 34 o 1.25872  0.351959  1.88928      0.920233 2.96161      1.3529   0.965988     1.25537  1.52778  0.426611  1.01655  0.407144  
1 1 1 29 26 35 o 2.17763  0.215883  5.06163      0.940225 4.48432      1.34622  5.61142      1.31374  1.92564  0.362843  2.2336   0.294086  
1 1 1 29 26 36 f 0.602322 0.282746  -0.600595    0.872402 -0.965763    1.24525  -0.248594    1.22259  0.685467 0.327273  0.762864 0.350047  
1 1 1 29 26 37 o 1.58409  0.30523   3.06453      0.932512 3.24325      1.34766  2.90035      1.29166  1.48787  0.429166  1.40843  0.424005  
1 1 1 29 26 38 o 1.61141  0.329741  3.41295      1.02603  1.82663      1.44148  5.04202      1.46077  1.06177  0.431788  1.85883  0.404216  
1 1 1 29 26 39 o 1.06696  0.370141  1.86176      0.966452 2.47505      1.37282  1.25917      1.3608   1.11769  0.431778  0.894259 0.393535  
1 1 1 29 26 40 o 0.598142 0.28808   -0.530339    1.01912  -0.846585    1.39116  -0.164054    1.49718  0.647613 0.317309  0.716275 0.345977  
1 1 1 29 27 0  o 8.21137  0.10564   67.4792      1.73425  67.4792      1.73425  67.4792      1.73425  8.21297  0.0746702 ?        ?         
1 1 1 29 27 1  o 8.18048  0.0739042 66.9389      1.20914  65.38        1.67435  68.638       1.748    8.08359  0.103565  8.28246  0.105524  
1 1 1 29 27 2  o 7.48975  0.0770202 56.1135      1.15372  55.6836      1.60666  56.5712      1.65776  7.45992  0.107686  7.51903  0.110238  
1 1 1 29 27 3  o 11.3036  0.0950281 127.831      2.14831  128.73       3.03334  126.927      3.04302  11.3406  0.133738  11.2608  0.135116  
1 1 1 29 27 4  o 6.70965  0.0833242 45.0364      1.11815  44.3726      1.57137  45.7172      1.59143  6.65877  0.117993  6.75892  0.117728  
1 1 1 29 27 5  f 9.9385   0.09558   98.8246      1.89984  99.0695      2.68969  98.5807      2.68389  9.94827  0.135184  9.92369  0.135226  
1 1 1 29 27 6  o 9.86001  0.095406  97.2717      1.88141  97.2581      2.65673  97.2853      2.66471  9.85669  0.134768  9.85804  0.135154  
1 1 1 29 27 7  o 10.2836  0.0941816 105.811      1.93706  107.002      2.80044  104.718      2.6822   10.3383  0.13544   10.2277  0.131124  
1 1 1 29 27 8  o 4.89315  0.0946151 23.957       0.925932 23.6178      1.27946  24.33        1.34169  4.85702  0.131712  4.92951  0.136088  
1 1 1 29 27 9  o 13.4522  0.129623  181.177      3.48745  181.703      4.92917  180.65       4.93483  13.4636  0.183055  13.4244  0.183801  
1 1 1 29 27 10 f 6.18231  0.0890734 38.2443      1.10136  39.5128      1.53827  36.9102      1.57758  6.28225  0.12243   6.07138  0.12992   
1 1 1 29 27 11 o 6.3063   0.0863065 39.7951      1.08855  42.0641      1.6169   37.9141      1.47215  6.4813   0.124735  6.15362  0.119616  
1 1 1 29 27 12 o 7.61274  0.0803976 57.9913      1.22409  58.8415      1.6897   57.0522      1.77576  7.66621  0.110204  7.54811  0.11763   
1 1 1 29 27 13 o 2.31212  0.109316  5.35282      0.505502 5.2587       0.714655 5.44706      0.71512  2.29018  0.156026  2.33094  0.153398  
1 1 1 29 27 14 o 9.11037  0.0817117 83.0636      1.48885  84.6412      2.10616  81.4877      2.10494  9.19298  0.114552  9.01985  0.116684  
1 1 1 29 27 15 o 4.32337  0.0758846 18.7057      0.656154 19.054       0.919164 18.3437      0.936977 4.3619   0.105363  4.27958  0.109471  
1 1 1 29 27 16 o 6.13312  0.0744301 37.6453      0.912978 38.4911      1.2988   36.8192      1.28363  6.19917  0.104756  6.06294  0.105858  
1 1 1 29 27 17 o 6.99565  0.0787853 48.9876      1.10231  48.6227      1.54201  49.369       1.57636  6.96611  0.110679  7.01916  0.11229   
1 1 1 29 27 18 o 4.9347   0.0795841 24.3791      0.785447 24.7714      1.11247  23.9892      1.10911  4.97145  0.111886  4.89218  0.113356  
1 1 1 29 27 19 o 3.3798   0.095636  11.444       0.646461 10.9421      0.901367 11.9756      0.927669 3.30175  0.136499  3.45437  0.134275  
1 1 1 29 27 20 o 1.56818  0.192719  2.47913      0.604435 1.83207      0.878668 3.06037      0.832778 1.31264  0.333828  1.7386   0.239496  
1 1 1 29 27 21 o 2.74066  0.120703  7.53859      0.66161  7.78128      0.930686 7.29064      0.940712 2.7798   0.167402  2.68988  0.174861  
1 1 1 29 27 22 o 3.74338  0.104004  14.0562      0.778656 15.3741      1.08673  12.6657      1.11623  3.9103   0.138958  3.54647  0.157372  
1 1 1 29 27 23 o 0.684764 0.285325  0.119878     0.648363 -0.571337    0.904246 0.851264     0.93015  0.664138 0.303195  0.989039 0.361098  
1 1 1 29 27 24 o 2.47223  0.145817  6.15887      0.720984 6.6962       1.01881  5.61981      1.02045  2.56943  0.198256  2.35059  0.217062  
1 1 1 29 27 25 o 0.801265 0.306149  0.475429     0.684997 0.716214     0.964429 0.230298     0.973095 0.956568 0.363911  0.841403 0.350004  
1 1 1 29 27 26 o 0.75435  0.304546  0.287714     0.71037  1.33124      0.989587 -0.821695    1.02035  1.13776  0.375032  0.675452 0.313768  
1 1 1 29 27 27 o 1.11566  0.316098  1.34477      0.737495 1.61842      1.04973  1.07805      1.03634  1.22461  0.385028  1.06371  0.381859  
1 1 1 29 27 28 o 3.50312  0.129471  12.3894      0.907104 11.9616      1.29161  12.8057      1.27425  3.42379  0.188622  3.54582  0.179683  
1 1 1 29 27 29 o 2.84689  0.148277  8.21552      0.844258 6.59333      1.20584  9.77532      1.18242  2.52288  0.238981  3.09123  0.191255  
1 1 1 29 27 30 o 2.31637  0.188     5.50341      0.870956 4.87698      1.20073  6.19897      1.26524  2.14845  0.27944   2.43085  0.260247  
1 1 1 29 27 31 o 0.822714 0.33465   0.392112     0.866061 -0.723016    1.2267   1.50034      1.2229   0.753684 0.347771  1.18075  0.415709  
1 1 1 29 27 32 o 2.11562  0.214145  4.65695      0.906096 4.57485      1.28121  4.73911      1.28162  2.05232  0.312136  2.0919   0.306329  
1 1 1 29 27 33 f 1.05701  0.355536  1.26119      0.889374 0.391479     1.23197  2.20776      1.28525  0.906091 0.386113  1.33615  0.426758  
1 1 1 29 27 34 o 2.05563  0.229625  4.50974      0.94405  5.45576      1.3797   3.6769       1.29454  2.20154  0.313349  1.73781  0.382785  
1 1 1 29 27 35 o 0.602984 0.284475  -0.750171    0.906777 0.241118     1.28353  -1.73791     1.28123  0.863654 0.380954  0.635198 0.309769  
1 1 1 29 27 36 o 0.748493 0.324493  0.23403      0.897816 0.558352     1.32177  -0.043787    1.22334  0.900732 0.392154  0.788121 0.357827  
1 1 1 29 27 37 o 0.709256 0.319477  0.0439873    0.954658 0.580946     1.35923  -0.478775    1.34114  0.874083 0.38795   0.736525 0.347033  
1 1 1 29 27 38 o 0.990446 0.371107  1.4185       0.99233  1.50914      1.40975  1.32948      1.39707  0.995558 0.418106  0.964149 0.411023  
1 1 1 29 27 39 o 0.960672 0.365623  1.5475       0.97386  2.34984      1.33417  0.632471     1.42478  1.07442  0.423213  0.795655 0.370055  
1 1 1 29 27 40 o 0.740191 0.330267  0.675932     0.998326 0.936888     1.44037  0.43467      1.38495  0.793464 0.370208  0.737244 0.349363  
1 1 1 29 28 0  o 9.38406  0.118402  88.1376      2.22139  88.1376      2.22139  88.1376      2.22139  9.38612  0.0836898 ?        ?         
1 1 1 29 28 1  o 3.75381  0.0843695 14.0968      0.633415 15.1882      0.92359  13.1276      0.870346 3.89565  0.118541  3.62173  0.120156  
1 1 1 29 28 2  o 8.54901  0.0823842 73.114       1.40861  73.6658      1.99068  72.5606      1.99346  8.57957  0.116013  8.51491  0.117057  
1 1 1 29 28 3  o 6.80377  0.0727156 46.3056      0.989481 44.8281      1.36734  47.93        1.4337   6.69334  0.102142  6.92098  0.103576  
1 1 1 29 28 4  o 2.13113  0.143135  4.54731      0.610078 3.92718      0.806296 5.3778       0.933088 1.97924  0.203688  2.31618  0.201428  
1 1 1 29 28 5  o 2.90672  0.123705  8.45707      0.719152 8.07411      1.01742  8.83946      1.01665  2.83864  0.179208  2.9704   0.171131  
1 1 1 29 28 6  f 11.7402  0.11112   137.944      2.60915  137.128      3.73939  138.718      3.64231  11.7003  0.159798  11.7686  0.154747  
1 1 1 29 28 7  o 6.57304  0.0884205 43.228       1.16238  41.6026      1.62602  44.9268      1.66229  6.44644  0.126117  6.69916  0.124067  
1 1 1 29 28 8  f 14.566   0.128476  212.426      3.74276  213.818      5.15874  210.879      5.43847  14.6056  0.176601  14.5027  0.187498  
1 1 1 29 28 9  o 2.95547  0.125422  8.74575      0.741364 8.82395      1.0894   8.67831      1.01179  2.96648  0.183618  2.94239  0.171934  
1 1 1 29 28 10 o 1.76518  0.202935  3.12731      0.716436 2.13253      1.00121  4.17119      1.02562  1.42437  0.352833  2.03659  0.251798  
1 1 1 29 28 11 o 6.13646  0.0911923 37.688       1.11919  37.446       1.57315  37.936       1.59259  6.11421  0.128647  6.15402  0.129394  
1 1 1 29 28 12 o 8.84641  0.0927804 78.3321      1.64155  79.7325      2.31288  76.9106      2.33021  8.9212   0.129628  8.76149  0.13298   
1 1 1 29 28 13 o 7.86588  0.0798959 61.918       1.2569   61.0297      1.78456  62.7924      1.77058  7.80619  0.114304  7.91838  0.111802  
1 1 1 29 28 14 o 6.06883  0.0693138 36.8537      0.841307 37.6988      1.1952   36.0237      1.18445  6.13615  0.0973901 5.99817  0.0987341 
1 1 1 29 28 15 o 5.25463  0.071764  27.6314      0.754186 27.5499      1.05359  27.7169      1.08006  5.24501  0.100438  5.26072  0.102653  
1 1 1 29 28 16 o 5.37084  0.0753447 28.8714      0.809328 28.3534      1.13663  29.4041      1.15266  5.32001  0.106826  5.41773  0.106378  
1 1 1 29 28 17 o 3.4263   0.0933995 11.7576      0.64003  12.1865      0.925359 11.3641      0.88619  3.48549  0.132744  3.36592  0.131641  
1 1 1 29 28 18 f 3.68296  0.0901685 13.5858      0.664175 11.8649      0.921083 15.4499      0.958611 3.43852  0.133936  3.92492  0.122119  
1 1 1 29 28 19 o 4.20443  0.0833963 17.7032      0.701268 19.0493      1.01729  16.4842      0.968031 4.35835  0.116706  4.05404  0.119391  
1 1 1 29 28 20 o 1.61366  0.183327  2.62465      0.591657 2.54473      0.842137 2.70254      0.831425 1.55783  0.280522  1.63144  0.254812  
1 1 1 29 28 21 o 3.65648  0.102609  13.4086      0.750373 13.202       1.07085  13.6079      1.05178  3.62268  0.147798  3.67865  0.142957  
1 1 1 29 28 22 f 3.11168  0.116007  9.72193      0.72195  9.9904       1.00691  9.4379       1.03568  3.14863  0.159896  3.05891  0.16929   
1 1 1 29 28 23 o 2.83604  0.123515  8.08482      0.700588 7.75102      1.01616  8.38723      0.967212 2.7681   0.183548  2.88217  0.167792  
1 1 1 29 28 24 o 1.36994  0.263929  1.98371      0.697326 0.801476     0.981287 3.18976      0.991122 0.985235 0.369059  1.76096  0.281414  
1 1 1 29 28 25 o 0.701947 0.293682  0.120527     0.69124  -0.241472    0.956107 0.516943     1.00053  0.739657 0.327197  0.915389 0.364614  
1 1 1 29 28 26 o 4.42033  0.0994166 19.6292      0.878909 20.9793      1.23543  18.2456      1.25064  4.56093  0.135436  4.25017  0.147129  
1 1 1 29 28 27 o 4.07285  0.111285  16.6961      0.906495 17.0288      1.33394  16.4106      1.23565  4.0981   0.162751  4.02609  0.153455  
1 1 1 29 28 28 o 1.59124  0.246824  2.62306      0.785513 2.76565      1.10716  2.47853      1.11465  1.57628  0.359091  1.48599  0.374846  
1 1 1 29 28 29 o 2.45144  0.166413  6.11914      0.815904 5.72438      1.16006  6.50557      1.14776  2.34563  0.247282  2.50756  0.228861  
1 1 1 29 28 30 o 1.44471  0.31163   2.31342      0.874776 1.47814      1.24006  3.14082      1.2342   1.1788   0.418252  1.65663  0.380326  
1 1 1 29 28 31 o 1.55619  0.288625  2.65489      0.864615 1.43173      1.20225  3.9652       1.24434  1.15569  0.411647  1.8796   0.343801  
1 1 1 29 28 32 o 2.39025  0.190752  5.9136       0.911889 6.74636      1.30081  5.10893      1.27868  2.51793  0.25831   2.1717   0.294397  
1 1 1 29 28 33 o 1.5772   0.294543  2.80856      0.894595 3.464        1.32777  2.26367      1.21063  1.68031  0.400257  1.34992  0.411315  
1 1 1 29 28 34 o 0.890113 0.342377  0.765883     0.861221 -0.24323     1.19448  1.85838      1.24286  0.778518 0.353498  1.21669  0.419972  
1 1 1 29 28 35 o 0.796422 0.331211  0.451162     0.871062 0.0788008    1.2305   0.825182     1.23324  0.816677 0.365468  0.946059 0.39381   
1 1 1 29 28 36 o 1.54674  0.289837  2.83556      0.86347  2.2875       1.22363  3.37916      1.21865  1.27384  0.417029  1.59616  0.385521  
1 1 1 29 28 37 f 0.833714 0.344423  0.746758     0.932209 -0.0793214   1.3202   1.5682       1.31649  0.767227 0.356595  1.02806  0.414779  
1 1 1 29 28 38 o 0.708589 0.322345  0.135178     1.00347  -0.147558    1.33887  0.497566     1.51577  0.738343 0.347553  0.835477 0.38592   
1 1 1 29 28 39 o 0.6096   0.288566  -0.255657    0.942609 -0.855372    1.32413  0.360489     1.34215  0.633188 0.310084  0.746745 0.350571  
1 1 1 29 28 40 f 0.795197 0.343493  1.18445      0.999157 1.41133      1.43962  0.973597     1.38784  0.795179 0.370661  0.748843 0.352892  
1 1 1 29 29 0  o 1.24346  0.479966  2.12063      1.12711  2.12063      1.12711  2.12063      1.12711  1.34024  0.344599  ?        ?         
1 1 1 29 29 1  o 1.66873  0.244283  2.96255      0.763546 2.96255      0.763546 2.96255      0.763546 1.6976   0.162437  ?        ?         
1 1 1 29 29 2  o 5.49048  0.100395  30.1853      1.10161  30.1853      1.10161  30.1853      1.10161  5.49229  0.0709399 ?        ?         
1 1 1 29 29 3  o 13.3114  0.157045  177.409      4.17967  177.409      4.17967  177.409      4.17967  13.3154  0.110997  ?        ?         
1 1 1 29 29 4  o 3.92509  0.155695  15.4913      1.21786  15.4913      1.21786  15.4913      1.21786  3.93051  0.109741  ?        ?         
1 1 1 29 29 5  o 2.73429  0.199218  7.60481      1.07615  7.60481      1.07615  7.60481      1.07615  2.7462   0.139365  ?        ?         
1 1 1 29 29 6  o 9.39808  0.147617  88.4594      2.77309  88.4594      2.77309  88.4594      2.77309  9.40166  0.104312  ?        ?         
1 1 1 29 29 7  o 1.92483  0.295293  3.96801      1.05656  3.96801      1.05656  3.96801      1.05656  1.96211  0.194787  ?        ?         
1 1 1 29 29 8  o 4.63947  0.132087  21.5927      1.22338  21.5927      1.22338  21.5927      1.22338  4.64314  0.0932396 ?        ?         
1 1 1 29 29 9  o 7.22585  0.121814  52.2935      1.7593   52.2935      1.7593   52.2935      1.7593   7.22864  0.0860749 ?        ?         
1 1 1 29 29 10 o 9.31435  0.131031  86.8857      2.43986  86.8857      2.43986  86.8857      2.43986  9.31782  0.092598  ?        ?         
1 1 1 29 29 11 o 2.4237   0.206224  6.01414      0.983    6.01414      0.983    6.01414      0.983    2.43841  0.14367   ?        ?         
1 1 1 29 29 12 o 1.44696  0.362013  2.46033      0.905237 2.46033      0.905237 2.46033      0.905237 1.51899  0.225573  ?        ?         
1 1 1 29 29 13 o 1.69775  0.230572  3.04788      0.750827 3.04788      0.750827 3.04788      0.750827 1.72336  0.157033  ?        ?         
1 1 1 29 29 14 o 0.584437 0.34854   0.38745      0.702948 0.38745      0.702948 0.38745      0.702948 0.536161 0.304034  ?        ?         
1 1 1 29 29 15 o 2.3427   0.163924  5.57953      0.759414 5.57953      0.759414 5.57953      0.759414 2.35256  0.114751  ?        ?         
1 1 1 29 29 16 o 10.0653  0.122398  101.485      2.46313  101.485      2.46313  101.485      2.46313  10.0696  0.0864971 ?        ?         
1 1 1 29 29 17 o 0.663182 0.374708  0.60413      0.751878 0.60413      0.751878 0.60413      0.751878 0.637478 0.328807  ?        ?         
1 1 1 29 29 18 o 3.68432  0.124566  13.6424      0.915507 13.6424      0.915507 13.6424      0.915507 3.68897  0.0878554 ?        ?         
1 1 1 29 29 19 o 3.45183  0.132504  11.9914      0.911707 11.9914      0.911707 11.9914      0.911707 3.45738  0.0933856 ?        ?         
1 1 1 29 29 20 o 2.78011  0.165442  7.83798      0.912434 7.83798      0.912434 7.83798      0.912434 2.79     0.116082  ?        ?         
1 1 1 29 29 21 o 0.977699 0.43551   1.41027      0.896355 1.41027      0.896355 1.41027      0.896355 1.04603  0.342981  ?        ?         
1 1 1 29 29 22 o 1.99202  0.245438  4.18176      0.94434  4.18176      0.94434  4.18176      0.94434  2.0198   0.167974  ?        ?         
1 1 1 29 29 23 o 4.49496  0.137946  20.3307      1.23748  20.3307      1.23748  20.3307      1.23748  4.50196  0.0972857 ?        ?         
1 1 1 29 29 24 o 2.09433  0.242758  4.6063       0.985794 4.6063       0.985794 4.6063       0.985794 2.12144  0.166656  ?        ?         
1 1 1 29 29 25 o 2.56025  0.204152  6.73261      1.03007  6.73261      1.03007  6.73261      1.03007  2.57778  0.142269  ?        ?         
1 1 1 29 29 26 o 0.591832 0.380935  0.133354     1.00168  0.133354     1.00168  0.133354     1.00168  0.510199 0.324921  ?        ?         
1 1 1 29 29 27 o 0.712322 0.427247  0.625692     1.06622  0.625692     1.06622  0.625692     1.06622  0.661675 0.374721  ?        ?         
1 1 1 29 29 28 o 0.527733 0.355336  -0.289965    1.03759  -0.289965    1.03759  -0.289965    1.03759  0.432287 0.293681  ?        ?         
1 1 1 29 29 29 o 1.87039  0.344922  3.9528       1.15916  3.9528       1.15916  3.9528       1.15916  1.9372   0.217829  ?        ?         
1 1 1 29 29 30 o 0.469144 0.332753  -1.17533     1.20236  -1.17533     1.20236  -1.17533     1.20236  0.364126 0.262617  ?        ?         
1 1 1 29 29 31 o 0.568747 0.383552  -0.296253    1.21748  -0.296253    1.21748  -0.296253    1.21748  0.470045 0.318886  ?        ?         
1 1 1 29 29 32 o 0.896254 0.48321   1.3406       1.18686  1.3406       1.18686  1.3406       1.18686  0.925382 0.42127   ?        ?         
1 1 1 29 29 33 f 0.425503 0.307459  -1.60721     1.19382  -1.60721     1.19382  -1.60721     1.19382  0.325135 0.238501  ?        ?         
1 1 1 29 29 34 o 0.680162 0.432683  0.481345     1.25297  0.481345     1.25297  0.481345     1.25297  0.618587 0.379834  ?        ?         
1 1 1 29 29 35 o 0.690125 0.433092  0.631042     1.21226  0.631042     1.21226  0.631042     1.21226  0.64555  0.384931  ?        ?         
1 1 1 29 29 36 f 0.817021 0.474987  1.2646       1.2525   1.2646       1.2525   1.2646       1.2525   0.84224  0.426606  ?        ?         
1 1 1 29 29 37 o 0.624728 0.414588  0.347209     1.31121  0.347209     1.31121  0.347209     1.31121  0.567296 0.365609  ?        ?         
1 1 1 29 29 38 o 0.759315 0.466799  1.31524      1.34125  1.31524      1.34125  1.31524      1.34125  0.798472 0.431528  ?        ?         
1 1 1 29 29 39 o 0.97689  0.526273  2.35608      1.40693  2.35608      1.40693  2.35608      1.40693  1.16865  0.450887  ?        ?         
1 1 1 30 0  0  o 4.0285   0.103913  16.2632      0.835972 16.2632      0.835972 16.2632      0.835972 4.03064  0.0733834 ?        ?         
1 1 1 30 0  1  o 14.0811  0.138748  198.38       3.90661  198.38       3.90661  198.38       3.90661  14.0829  0.0980866 ?        ?         
1 1 1 30 0  2  o 8.82954  0.0984169 77.9984      1.73747  77.9984      1.73747  77.9984      1.73747  8.8306   0.0695731 ?        ?         
1 1 1 30 0  3  o 14.0484  0.145239  197.465      4.07977  197.465      4.07977  197.465      4.07977  14.0503  0.102673  ?        ?         
1 1 1 30 0  4  o 5.74807  0.0799836 33.0616      0.919101 33.0616      0.919101 33.0616      0.919101 5.749    0.0565355 ?        ?         
1 1 1 30 0  5  o 9.84281  0.107701  96.9263      2.11959  96.9263      2.11959  96.9263      2.11959  9.84396  0.0761371 ?        ?         
1 1 1 30 0  6  f 9.90172  0.106181  98.0877      2.1022   98.0877      2.1022   98.0877      2.1022   9.90282  0.075063  ?        ?         
1 1 1 30 0  7  o 11.4926  0.11798   132.136      2.71115  132.136      2.71115  132.136      2.71115  11.4938  0.0834058 ?        ?         
1 1 1 30 0  8  o 7.85667  0.0920434 61.7567      1.44586  61.7567      1.44586  61.7567      1.44586  7.8576   0.0650667 ?        ?         
1 1 1 30 0  9  o 21.0973  0.200698  445.348      8.46665  445.348      8.46665  445.348      8.46665  21.1003  0.141881  ?        ?         
1 1 1 30 0  10 o 37.4347  0.386153  1403.35      28.9041  1403.35      28.9041  1403.35      28.9041  37.4478  0.272923  ?        ?         
1 1 1 30 0  11 o 18.0444  0.18208   325.782      6.56956  325.782      6.56956  325.782      6.56956  18.0469  0.128718  ?        ?         
1 1 1 30 0  12 o 14.9296  0.15376   223.004      4.59006  223.004      4.59006  223.004      4.59006  14.9314  0.108699  ?        ?         
1 1 1 30 0  13 o 1.98825  0.184637  4.05559      0.719655 4.05559      0.719655 4.05559      0.719655 2.00145  0.128336  ?        ?         
1 1 1 30 0  14 f 2.11917  0.191052  4.60102      0.794608 4.60102      0.794608 4.60102      0.794608 2.13247  0.132926  ?        ?         
1 1 1 30 0  15 o 17.6355  0.172991  311.197      6.10022  311.197      6.10022  311.197      6.10022  17.6381  0.122291  ?        ?         
1 1 1 30 0  16 o 1.76363  0.281557  3.34235      0.916972 3.34235      0.916972 3.34235      0.916972 1.80004  0.184551  ?        ?         
1 1 1 30 0  17 o 9.80913  0.132349  96.2922      2.59539  96.2922      2.59539  96.2922      2.59539  9.81099  0.0935479 ?        ?         
1 1 1 30 0  18 o 7.4331   0.11911   55.3045      1.76969  55.3045      1.76969  55.3045      1.76969  7.4349   0.0841786 ?        ?         
1 1 1 30 0  19 o 13.666   0.165837  186.924      4.53115  186.924      4.53115  186.924      4.53115  13.669   0.117219  ?        ?         
1 1 1 30 0  20 o 0.74771  0.445622  0.628634     1.14785  0.628634     1.14785  0.628634     1.14785  0.685072 0.388498  ?        ?         
1 1 1 30 0  21 o 0.650338 0.41004   0.23531      1.1024   0.23531      1.1024   0.23531      1.1024   0.563627 0.351186  ?        ?         
1 1 1 30 0  22 f 2.23211  0.25369   5.18163      1.09923  5.18163      1.09923  5.18163      1.09923  2.25525  0.174738  ?        ?         
1 1 1 30 0  23 o 5.49136  0.127005  30.2206      1.39317  30.2206      1.39317  30.2206      1.39317  5.49434  0.0897026 ?        ?         
1 1 1 30 0  24 o 0.585256 0.384864  -0.102707    1.0963   -0.102707    1.0963   -0.102707    1.0963   0.486875 0.321463  ?        ?         
1 1 1 30 0  25 o 3.46085  0.17815   12.0932      1.22564  12.0932      1.22564  12.0932      1.22564  3.46927  0.125276  ?        ?         
1 1 1 30 0  26 o 0.790633 0.45664   0.818437     1.14538  0.818437     1.14538  0.818437     1.14538  0.747886 0.40034   ?        ?         
1 1 1 30 0  27 o 0.539195 0.366068  -0.481809    1.13735  -0.481809    1.13735  -0.481809    1.13735  0.432304 0.297827  ?        ?         
1 1 1 30 0  28 o 4.07533  0.169242  16.7384      1.37403  16.7384      1.37403  16.7384      1.37403  4.08334  0.119199  ?        ?         
1 1 1 30 0  29 o 4.31583  0.160161  18.7541      1.37813  18.7541      1.37813  18.7541      1.37813  4.32327  0.112876  ?        ?         
1 1 1 30 0  30 o 2.98659  0.2203    9.11963      1.29943  9.11963      1.29943  9.11963      1.29943  3.00356  0.15388   ?        ?         
1 1 1 30 0  31 o 2.44687  0.272841  6.27172      1.29737  6.27172      1.29737  6.27172      1.29737  2.47681  0.187671  ?        ?         
1 1 1 30 0  32 f 4.08092  0.178673  16.8447      1.45194  16.8447      1.45194  16.8447      1.45194  4.09262  0.125699  ?        ?         
1 1 1 30 0  33 o 3.92617  0.195716  15.6439      1.52811  15.6439      1.52811  15.6439      1.52811  3.94081  0.137475  ?        ?         
1 1 1 30 0  34 o 1.32798  0.513728  2.51083      1.29014  2.51083      1.29014  2.51083      1.29014  1.4498   0.364195  ?        ?         
1 1 1 30 0  35 f 0.536423 0.371141  -0.727469    1.27063  -0.727469    1.27063  -0.727469    1.27063  0.427655 0.299136  ?        ?         
1 1 1 30 0  36 o 1.93884  0.398697  4.34969      1.36536  4.34969      1.36536  4.34969      1.36536  2.02373  0.246831  ?        ?         
1 1 1 30 0  37 f 0.615617 0.412478  -0.239533    1.3672   -0.239533    1.3672   -0.239533    1.3672   0.512526 0.344451  ?        ?         
1 1 1 30 0  38 o 2.50862  0.319343  6.85017      1.5439   6.85017      1.5439   6.85017      1.5439   2.56577  0.216279  ?        ?         
1 1 1 30 0  39 o 0.613736 0.416652  -0.368465    1.47311  -0.368465    1.47311  -0.368465    1.47311  0.509493 0.347535  ?        ?         
1 1 1 30 0  40 o 0.55763  0.387796  -0.808099    1.45881  -0.808099    1.45881  -0.808099    1.45881  0.450225 0.316521  ?        ?         
1 1 1 30 0  41 o 0.661972 0.438367  0.181635     1.45569  0.181635     1.45569  0.181635     1.45569  0.58072  0.378245  ?        ?         
1 1 1 30 0  42 o 2.52821  0.312733  7.24633      1.52674  7.24633      1.52674  7.24633      1.52674  2.61386  0.209609  ?        ?         
1 1 1 30 0  43 o 1.02238  0.556492  2.32377      1.58636  2.32377      1.58636  2.32377      1.58636  1.16316  0.485057  ?        ?         
1 1 1 30 0  44 f 0.85426  0.531573  1.95511      1.78064  1.95511      1.78064  1.95511      1.78064  0.93399  0.499393  ?        ?         
1 1 1 30 0  45 o 0.615793 0.427949  0.236276     1.75024  0.236276     1.75024  0.236276     1.75024  0.564237 0.382624  ?        ?         
1 1 1 30 1  0  f 16.2841  0.158775  265.319      5.1699   265.319      5.1699   265.319      5.1699   16.2863  0.112243  ?        ?         
1 1 1 30 1  1  o 17.1909  0.119501  295.615      4.10863  292.96       5.82329  298.247      5.79776  17.1107  0.170165  17.2646  0.167909  
1 1 1 30 1  2  o 7.40286  0.0599379 54.8065      0.887424 55.0981      1.27704  54.5342      1.23408  7.42223  0.0860279 7.38418  0.0835624 
1 1 1 30 1  3  o 21.974   0.151363  483.08       6.65214  484.18       9.32528  481.94       9.49202  21.994   0.211996  21.9427  0.216291  
1 1 1 30 1  4  o 7.4285   0.0602186 55.1864      0.894667 55.8668      1.27589  54.5282      1.25487  7.47389  0.0853568 7.38381  0.0849744 
1 1 1 30 1  5  o 3.9582   0.0622023 15.6684      0.492418 17.0769      0.721046 14.4374      0.674091 4.13213  0.0872487 3.79938  0.0887106 
1 1 1 30 1  6  o 23.2251  0.158318  539.633      7.35389  539.18       10.385   540.088      10.415   23.2103  0.223715  23.2298  0.224173  
1 1 1 30 1  7  o 19.5233  0.137044  381.271      5.3511   384.816      7.63357  377.847      7.50331  19.6108  0.194627  19.4325  0.193061  
1 1 1 30 1  8  o 12.9211  0.0932685 166.976      2.41026  167.686      3.39087  166.25       3.42665  12.9477  0.130945  12.8921  0.132897  
1 1 1 30 1  9  o 23.0513  0.157776  531.557      7.27388  528.887      10.2508  534.266      10.3232  22.989   0.22295   23.1055  0.223393  
1 1 1 30 1  10 o 34.6202  0.238039  1199.57      16.4819  1203.93      23.1374  1195.07      23.4845  34.6685  0.333695  34.5395  0.339965  
1 1 1 30 1  11 o 21.5166  0.150028  463.118      6.45617  465.192      9.2716   461.165      8.99548  21.5607  0.215012  21.4675  0.209514  
1 1 1 30 1  12 o 9.74471  0.0783393 94.9687      1.52679  94.4377      2.15597  95.5028      2.16245  9.71693  0.110939  9.77158  0.11065   
1 1 1 30 1  13 o 20.4251  0.146707  417.346      5.99301  420.455      8.64925  414.475      8.31161  20.4967  0.210992  20.3509  0.204207  
1 1 1 30 1  14 o 9.49033  0.0824032 90.0787      1.56407  90.8777      2.22058  89.2921      2.20337  9.53166  0.116484  9.44814  0.116604  
1 1 1 30 1  15 f 13.4389  0.097443  180.641      2.61906  182.535      3.73141  178.801      3.67699  13.5078  0.13812   13.369   0.13752   
1 1 1 30 1  16 f 11.0025  0.093594  121.078      2.05953  120.492      2.86064  121.71       2.96753  10.9747  0.130329  11.0299  0.134521  
1 1 1 30 1  17 o 19.7955  0.148228  392.079      5.86849  387.832      8.33154  396.262      8.26742  19.6821  0.211652  19.8953  0.207773  
1 1 1 30 1  18 o 1.24573  0.292614  1.61844      0.717433 0.64204      1.00837  2.61936      1.02096  0.971982 0.371427  1.58599  0.33252   
1 1 1 30 1  19 o 4.3686   0.112176  19.0928      0.980108 20.6031      1.42026  17.7195      1.35425  4.5372   0.156513  4.20763  0.160928  
1 1 1 30 1  20 o 10.6295  0.0986816 113.033      2.09787  113.891      2.98438  112.196      2.9496   10.6674  0.139883  10.5878  0.139292  
1 1 1 30 1  21 o 10.0612  0.0910121 101.271      1.83138  102.935      2.64516  99.7391      2.53809  10.1413  0.130416  9.98281  0.127123  
1 1 1 30 1  22 o 5.22413  0.0905299 27.3052      0.94588  27.261       1.34017  27.3491      1.3352   5.21856  0.128404  5.22702  0.12772   
1 1 1 30 1  23 o 0.785235 0.31603   0.279751     0.761606 0.404884     1.06137  0.146928     1.09349  0.929046 0.373421  0.884725 0.369714  
1 1 1 30 1  24 o 4.0935   0.108765  16.7758      0.890458 18.3531      1.27033  15.2522      1.24855  4.27954  0.148419  3.90062  0.160045  
1 1 1 30 1  25 f 3.04705  0.138258  9.30464      0.842559 10.0945      1.22238  8.5897       1.16296  3.17049  0.192775  2.92424  0.198848  
1 1 1 30 1  26 o 2.26388  0.183652  5.14902      0.831532 4.28722      1.16179  6.05419      1.19067  2.05926  0.28209   2.45055  0.242938  
1 1 1 30 1  27 o 4.25965  0.114824  18.1832      0.978224 19.7496      1.43279  16.8155      1.33882  4.43465  0.161545  4.09177  0.163599  
1 1 1 30 1  28 o 2.59098  0.166919  6.74934      0.864966 6.77432      1.22861  6.7248       1.21795  2.5887   0.237303  2.57936  0.236095  
1 1 1 30 1  29 o 4.87856  0.106057  23.8594      1.03481  24.6654      1.49216  23.1126      1.43633  4.95412  0.150598  4.79577  0.149749  
1 1 1 30 1  30 o 3.28935  0.141279  10.8783      0.929434 10.4686      1.27653  11.3406      1.35589  3.21856  0.198308  3.3492   0.20242   
1 1 1 30 1  31 o 2.18467  0.199649  4.83207      0.872333 4.89062      1.23831  4.77439      1.22907  2.18414  0.283478  2.15778  0.2848    
1 1 1 30 1  32 o 2.54364  0.187891  6.55233      0.955855 6.03791      1.30915  7.1397       1.39888  2.42541  0.269881  2.63863  0.265076  
1 1 1 30 1  33 o 4.80991  0.119084  23.2654      1.14557  22.6273      1.64031  23.8729      1.60057  4.72863  0.173444  4.85987  0.164672  
1 1 1 30 1  34 o 2.48988  0.183821  6.30394      0.915383 7.57472      1.33536  5.17745      1.25726  2.71181  0.246212  2.23197  0.281648  
1 1 1 30 1  35 o 1.48085  0.318738  2.39991      0.916971 2.4664       1.31122  2.33626      1.28283  1.47319  0.422801  1.43695  0.420094  
1 1 1 30 1  36 o 1.05711  0.363499  1.15056      0.930323 -0.15733     1.29613  2.54045      1.33614  0.86438  0.381846  1.48414  0.427078  
1 1 1 30 1  37 o 2.14522  0.233575  4.7913       1.00214  6.02696      1.4304   3.60012      1.40443  2.37512  0.301122  1.76169  0.406565  
1 1 1 30 1  38 o 1.15084  0.37926   1.48423      1.01203  1.09542      1.44911  1.85442      1.41398  1.1081   0.43961   1.27336  0.447139  
1 1 1 30 1  39 o 0.833902 0.354707  0.279357     1.03637  1.08276      1.50102  -0.452535    1.43266  1.08949  0.441519  0.835036 0.38139   
1 1 1 30 1  40 o 0.67731  0.31235   -0.492069    0.987683 -1.45261     1.37057  0.545682     1.42459  0.69828  0.335764  0.962113 0.412754  
1 1 1 30 1  41 o 1.02425  0.37764   1.24706      1.01948  -0.577739    1.43206  3.12215      1.45166  0.784907 0.367337  1.49272  0.449523  
1 1 1 30 1  42 o 1.06681  0.377062  1.4865       1.00697  1.02966      1.40214  1.97309      1.44707  0.982061 0.414918  1.1684   0.445394  
1 1 1 30 1  43 o 0.621435 0.299351  -0.877748    1.1016   0.874068     1.53942  -2.71632     1.57708  0.912089 0.408455  0.614119 0.306968  
1 1 1 30 1  44 o 0.910529 0.386251  1.37065      1.22313  4.16728      1.75315  -1.28162     1.7073   1.3422   0.495171  0.685979 0.338907  
1 1 1 30 1  45 o 0.780435 0.35583   0.757769     1.23792  0.344884     1.7448   1.17627      1.75664  0.770075 0.372226  0.840998 0.396524  
1 1 1 30 2  0  o 6.19568  0.0810756 38.4086      1.00425  38.4086      1.00425  38.4086      1.00425  6.19657  0.0573098 ?        ?         
1 1 1 30 2  1  f 5.62213  0.0564545 31.6103      0.634789 30.8819      0.854022 32.5096      0.948911 5.55682  0.0768445 5.70133  0.0832185 
1 1 1 30 2  2  o 6.41245  0.0557089 41.122       0.714462 40.8034      1.0089   41.4425      1.01191  6.38736  0.0789762 6.4372   0.0785987 
1 1 1 30 2  3  f 38.6944  0.261813  1499.17      20.2614  1511.13      28.8687  1487.56      28.444   38.8224  0.371804  38.5192  0.369218  
1 1 1 30 2  4  o 17.414   0.12264   303.329      4.27132  304.333      6.05931  302.337      6.02198  17.4404  0.173715  17.3831  0.173213  
1 1 1 30 2  5  o 9.32159  0.0731737 86.8999      1.36419  89.8213      1.89464  83.7548      1.96585  9.4766   0.099964  9.15086  0.107413  
1 1 1 30 2  6  o 10.3269  0.0805618 106.655      1.6639   106.245      2.32123  107.088      2.38634  10.3065  0.11261   10.3472  0.115313  
1 1 1 30 2  7  o 8.15277  0.0680537 66.4723      1.10965  66.3485      1.57026  66.5958      1.56832  8.14488  0.0963953 8.16005  0.0960973 
1 1 1 30 2  8  o 4.4403   0.0599158 19.7173      0.532088 19.4285      0.726288 20.0519      0.781742 4.40755  0.0823912 4.47768  0.0872932 
1 1 1 30 2  9  o 25.0905  0.169744  629.801      8.51792  626.172      11.8611  633.665      12.2401  25.0128  0.237101  25.1615  0.243232  
1 1 1 30 2  10 o 6.98766  0.0634188 48.8304      0.886299 47.9236      1.27062  49.6896      1.23689  6.92224  0.0917783 7.04867  0.0877391 
1 1 1 30 2  11 o 10.2892  0.0805498 105.878      1.65759  106.689      2.31005  105.017      2.37987  10.3281  0.111834  10.2467  0.116129  
1 1 1 30 2  12 o 13.2198  0.101906  174.794      2.69436  171.012      3.9874   177.973      3.65506  13.0746  0.152487  13.3385  0.137012  
1 1 1 30 2  13 o 7.81624  0.0739863 61.1         1.15659  58.8059      1.69498  63.0988      1.58217  7.66761  0.110529  7.94273  0.0995988 
1 1 1 30 2  14 o 18.5371  0.131307  343.747      4.86811  343.205      6.95799  344.267      6.81339  18.519   0.187861  18.548   0.183669  
1 1 1 30 2  15 o 9.42056  0.0796011 88.759       1.49977  90.3157      2.15177  87.2883      2.09151  9.50214  0.113226  9.34155  0.111947  
1 1 1 30 2  16 o 7.62493  0.0812734 58.1485      1.23941  56.5237      1.69176  60.031       1.82093  7.5171   0.112528  7.74671  0.117529  
1 1 1 30 2  17 o 8.25752  0.0835308 68.1992      1.37951  68.2152      1.94101  68.183       1.961    8.25773  0.117527  8.25575  0.118766  
1 1 1 30 2  18 o 13.0984  0.109451  171.63       2.86726  175.695      4.15247  167.925      3.96393  13.2501  0.156696  12.954   0.153     
1 1 1 30 2  19 o 19.0747  0.147056  364.122      5.61009  365.695      7.86615  362.494      8.00337  19.1087  0.205826  19.0242  0.210347  
1 1 1 30 2  20 o 4.69264  0.100788  22.0309      0.945927 22.5568      1.31132  21.4603      1.36583  4.74734  0.138111  4.63024  0.14749   
1 1 1 30 2  21 o 5.99125  0.0862997 35.9095      1.03409  35.4607      1.44594  36.3794      1.47948  5.95254  0.121456  6.02911  0.122695  
1 1 1 30 2  22 o 4.03123  0.104591  16.2621      0.843258 16.9366      1.18552  15.5713      1.1997   4.11267  0.14413   3.94312  0.152126  
1 1 1 30 2  23 o 10.2719  0.0915135 105.581      1.88004  105.06       2.63155  106.125      2.68688  10.2433  0.128453  10.2948  0.130497  
1 1 1 30 2  24 o 5.20422  0.0942219 27.1086      0.980703 26.5592      1.39314  27.6483      1.38079  5.14877  0.135288  5.25356  0.131415  
1 1 1 30 2  25 o 6.46266  0.0930592 41.8085      1.20282  40.3311      1.70168  43.2838      1.70041  6.34394  0.134119  6.57255  0.129357  
1 1 1 30 2  26 o 5.43294  0.0959161 29.5553      1.04221  30.0621      1.50764  29.0915      1.44235  5.47551  0.137671  5.38678  0.133879  
1 1 1 30 2  27 o 1.54444  0.289477  2.49476      0.861126 2.48324      1.22304  2.50608      1.21266  1.52727  0.396854  1.53409  0.393381  
1 1 1 30 2  28 o 4.06906  0.115754  16.6013      0.942021 18.6039      1.35897  14.7491      1.30699  4.3026   0.157924  3.82942  0.170651  
1 1 1 30 2  29 o 2.32775  0.179973  5.45836      0.83786  5.01653      1.16867  5.92564      1.20185  2.2224   0.262931  2.41737  0.248586  
1 1 1 30 2  30 o 3.86848  0.128121  15.0336      0.991265 15.2801      1.35609  14.7507      1.4526   3.89271  0.174184  3.82166  0.190048  
1 1 1 30 2  31 o 5.14532  0.10617   26.5695      1.09256  27.0394      1.55122  26.1068      1.53908  5.18124  0.149695  5.09074  0.151165  
1 1 1 30 2  32 f 2.2656   0.211007  5.21491      0.956114 4.31364      1.31797  6.21613      1.38914  2.03876  0.323228  2.45797  0.282578  
1 1 1 30 2  33 o 2.67704  0.180734  7.26004      0.967666 6.69241      1.35253  7.85526      1.38502  2.55121  0.265077  2.76813  0.250172  
1 1 1 30 2  34 o 1.09643  0.354394  1.26198      0.884407 0.0730847    1.27881  2.35193      1.22444  0.906283 0.390004  1.45096  0.406077  
1 1 1 30 2  35 o 2.33825  0.203413  5.59882      0.951261 5.76612      1.36875  5.44252      1.32299  2.34381  0.291993  2.27766  0.290427  
1 1 1 30 2  36 o 1.58849  0.305561  2.7532       0.936122 2.81469      1.32281  2.69151      1.32494  1.56167  0.415957  1.52618  0.420746  
1 1 1 30 2  37 f 1.62202  0.322144  2.91611      1.00792  3.97291      1.40783  1.80483      1.44366  1.86105  0.390682  1.27756  0.451485  
1 1 1 30 2  38 f 0.745083 0.331676  -0.194944    1.00163  -0.734559    1.41667  0.34443      1.41635  0.80913  0.373499  0.962033 0.4121    
1 1 1 30 2  39 o 2.01848  0.263885  4.39571      1.06529  3.64151      1.51653  5.13037      1.49677  1.69694  0.442365  2.11962  0.353074  
1 1 1 30 2  40 o 0.840981 0.350559  0.446089     0.979337 2.1379       1.38785  -1.23186     1.38215  1.28828  0.443879  0.721091 0.344403  
1 1 1 30 2  41 f 1.18683  0.378859  1.81766      1.01303  2.68129      1.44036  0.972283     1.42505  1.37049  0.452457  0.997778 0.419766  
1 1 1 30 2  42 o 0.721576 0.325726  -0.02687     0.9977   0.746869     1.42617  -0.768468    1.39623  0.930422 0.406196  0.734248 0.349285  
1 1 1 30 2  43 o 0.707022 0.327551  -0.131994    1.10241  -1.5685      1.53302  1.40637      1.58645  0.672238 0.33056   0.987625 0.429799  
1 1 1 30 2  44 o 0.886688 0.38392   1.27602      1.25378  3.32162      1.75158  -0.873388    1.79547  1.16605  0.475377  0.718161 0.35372   
1 1 1 30 2  45 o 0.671833 0.321972  -0.0973587   1.23434  0.297389     1.73684  -0.500195    1.75454  0.754808 0.366259  0.703412 0.346566  
1 1 1 30 3  0  o 26.4925  0.254399  702.463      13.4765  702.463      13.4765  702.463      13.4765  26.4982  0.17983   ?        ?         
1 1 1 30 3  1  o 12.3614  0.0905899 152.826      2.23963  150.05       3.07658  155.955      3.26657  12.2477  0.125598  12.4862  0.130807  
1 1 1 30 3  2  o 26.3529  0.180943  694.885      9.53677  702.692      13.4847  687.072      13.4894  26.4927  0.254499  26.1962  0.257468  
1 1 1 30 3  3  o 31.8353  0.234323  1014.45      14.9195  1026.27      21.0619  1002.55      21.1369  32.0047  0.329044  31.6318  0.334109  
1 1 1 30 3  4  o 11.2342  0.0869097 126.222      1.95272  125.782      2.68702  126.716      2.84266  11.2139  0.119808  11.2553  0.126281  
1 1 1 30 3  5  o 10.9003  0.0850892 118.83       1.85499  116.838      2.52574  121.161      2.73322  10.808   0.116846  11.006   0.12417   
1 1 1 30 3  6  o 29.0434  0.208756  844.075      12.126   841.107      17.2952  846.945      17.0058  28.982   0.298379  29.0832  0.292365  
1 1 1 30 3  7  o 24.1718  0.168588  584.517      8.15015  584.942      11.5377  584.094      11.5145  24.1753  0.238625  24.1578  0.238318  
1 1 1 30 3  8  o 6.38904  0.0608321 40.8221      0.777317 41.1618      1.06779  40.439       1.13376  6.41541  0.0832207 6.35879  0.089149  
1 1 1 30 3  9  f 13.2743  0.0930199 176.229      2.46954  176.343      3.50273  176.116      3.48228  13.2777  0.131903  13.2691  0.131217  
1 1 1 30 3  10 o 9.93252  0.075554  98.6633      1.50088  98.4751      2.10252  98.8588      2.1432   9.92261  0.105946  9.94189  0.107786  
1 1 1 30 3  11 o 10.43    0.0899787 108.798      1.87695  107.658      2.79529  109.734      2.53288  10.3743  0.134722  10.4742  0.120911  
1 1 1 30 3  12 o 5.16677  0.0721421 26.6979      0.745483 26.5006      1.10247  26.8641      1.01189  5.14735  0.107091  5.18262  0.0976231 
1 1 1 30 3  13 o 10.2399  0.0813305 104.87       1.66564  105.884      2.4045   103.936      2.30951  10.2886  0.116853  10.1936  0.113283  
1 1 1 30 3  14 o 16.0631  0.114583  258.095      3.68111  259.854      5.36679  256.533      5.05862  16.1153  0.166512  16.0124  0.157959  
1 1 1 30 3  15 o 10.5565  0.0938794 111.462      1.98208  112.89       2.91598  110.235      2.70237  10.6228  0.137251  10.4974  0.128717  
1 1 1 30 3  16 o 13.6616  0.108294  186.694      2.95894  186.703      4.13519  186.684      4.23576  13.6601  0.15136   13.6592  0.155052  
1 1 1 30 3  17 o 6.02193  0.0821729 36.2703      0.989679 36.4746      1.40673  36.0702      1.39261  6.03829  0.116485  6.00473  0.115959  
1 1 1 30 3  18 o 8.74265  0.0909936 76.4536      1.59105  77.9449      2.3372   75.1657      2.17203  8.82623  0.132401  8.6677   0.125295  
1 1 1 30 3  19 o 9.21831  0.0893239 85.003       1.64683  84.4586      2.33236  85.5443      2.3256   9.1873   0.126934  9.24622  0.125759  
1 1 1 30 3  20 o 9.57348  0.0935421 91.6893      1.79105  90.6917      2.45503  92.8243      2.61873  9.51946  0.128948  9.63032  0.135963  
1 1 1 30 3  21 o 4.07384  0.107555  16.6069      0.876321 16.2144      1.1814   17.0871      1.30666  4.02429  0.146783  4.13076  0.158162  
1 1 1 30 3  22 o 2.60049  0.146538  6.77221      0.762141 8.22641      1.08113  5.33566      1.07456  2.86474  0.188697  2.30569  0.233022  
1 1 1 30 3  23 o 3.35553  0.11784   11.2724      0.790829 10.3438      1.11293  12.2195      1.12396  3.21219  0.173235  3.4919   0.160938  
1 1 1 30 3  24 o 2.18299  0.183278  4.78234      0.800189 4.59988      1.1606   4.94767      1.10474  2.13648  0.271615  2.21713  0.249136  
1 1 1 30 3  25 o 3.61643  0.126271  13.1042      0.913302 11.8554      1.31743  14.2596      1.26724  3.43539  0.191744  3.76964  0.168085  
1 1 1 30 3  26 o 1.86493  0.215243  3.50146      0.802828 2.91615      1.13532  4.08687      1.13542  1.66178  0.352318  2.00986  0.282463  
1 1 1 30 3  27 o 0.952694 0.344568  0.774496     0.845206 1.52525      1.22095  0.0836803    1.1712   1.24719  0.416573  0.894156 0.378565  
1 1 1 30 3  28 o 1.41089  0.300102  2.10245      0.821461 2.99234      1.2312   1.38848      1.10282  1.67421  0.376804  1.18776  0.395907  
1 1 1 30 3  29 o 1.97957  0.204575  3.95734      0.80994  3.97065      1.0793   3.94018      1.22542  1.97537  0.27319   1.9626   0.312193  
1 1 1 30 3  30 o 4.5207   0.121715  20.523       1.10047  19.5604      1.43265  21.9084      1.71873  4.40628  0.162569  4.65827  0.184482  
1 1 1 30 3  31 o 3.5983   0.128174  13.0176      0.922417 13.5947      1.29472  12.4228      1.31449  3.66813  0.176483  3.50415  0.187563  
1 1 1 30 3  32 o 2.83522  0.169903  8.12137      0.963423 7.48722      1.32907  8.82355      1.39856  2.70698  0.245489  2.94058  0.237803  
1 1 1 30 3  33 o 2.71347  0.171336  7.44984      0.929831 8.07894      1.28394  6.75599      1.34839  2.81273  0.228237  2.56345  0.263003  
1 1 1 30 3  34 o 0.920393 0.347471  0.700881     0.873682 1.5702       1.26064  -0.102564    1.21194  1.23024  0.423129  0.854399 0.373714  
1 1 1 30 3  35 o 2.62213  0.181484  7.00889      0.951752 6.92312      1.36098  7.09099      1.33147  2.57881  0.263877  2.61339  0.254739  
1 1 1 30 3  36 o 0.86134  0.345838  0.475336     0.908988 0.743237     1.26934  0.193337     1.30231  1.01819  0.408736  0.921404 0.394944  
1 1 1 30 3  37 o 4.01087  0.141429  16.3327      1.13451  17.4911      1.58125  15.1039      1.62868  4.1247   0.19168   3.82059  0.213145  
1 1 1 30 3  38 o 1.79194  0.283491  3.43907      1.01599  3.38925      1.45197  3.48687      1.42216  1.67752  0.430623  1.70908  0.418775  
1 1 1 30 3  39 o 2.9239   0.185021  8.88999      1.08197  8.69669      1.57893  9.06112      1.4856   2.82319  0.279635  2.90141  0.256013  
1 1 1 30 3  40 o 0.664756 0.307481  -0.508317    0.966488 -2.1596      1.36885  1.13322      1.3648   0.637417 0.31309   1.05385  0.423505  
1 1 1 30 3  41 o 1.37891  0.369546  2.45237      1.04009  3.19007      1.43484  1.63554      1.50983  1.4968   0.446139  1.12049  0.447402  
1 1 1 30 3  42 o 0.796091 0.346795  0.379675     1.03486  1.60333      1.46439  -0.841071    1.46264  1.07043  0.435241  0.737974 0.352902  
1 1 1 30 3  43 o 0.705747 0.328298  -0.166831    1.12201  -0.583401    1.60661  0.229778     1.56765  0.760927 0.365312  0.833055 0.387726  
1 1 1 30 3  44 o 1.1698   0.424096  2.68918      1.28105  1.4955       1.745    4.08449      1.88663  0.901607 0.415554  1.2388   0.497888  
1 1 1 30 3  45 o 0.840825 0.372999  1.38899      1.25434  1.63516      1.78623  1.1495       1.76183  0.840219 0.397499  0.799251 0.38343   
1 1 1 30 4  0  o 24.42    0.229894  596.766      11.2258  596.766      11.2258  596.766      11.2258  24.4244  0.162514  ?        ?         
1 1 1 30 4  1  o 6.83188  0.057524  46.6772      0.785993 45.192       1.11229  48.1585      1.11083  6.7221   0.0827342 6.93924  0.0800398 
1 1 1 30 4  2  o 10.5124  0.0821323 110.522      1.72681  110.91       2.52045  110.18       2.37059  10.5301  0.119679  10.4955  0.112933  
1 1 1 30 4  3  o 25.6663  0.187154  659.134      9.60706  671.902      13.4948  646.013      13.68    25.9065  0.260452  25.4015  0.269275  
1 1 1 30 4  4  o 21.7104  0.14984   471.508      6.50616  475.556      8.9822   467.041      9.43683  21.7998  0.206016  21.6029  0.218416  
1 1 1 30 4  5  o 12.2422  0.0894066 149.89       2.18907  148.496      2.9428   151.616      3.27547  12.1845  0.12076   12.3116  0.133024  
1 1 1 30 4  6  o 14.896   0.110601  221.931      3.29504  217.742      4.51858  226.688      4.81534  14.7535  0.153136  15.0533  0.159943  
1 1 1 30 4  7  o 18.8459  0.127206  355.251      4.7946   357.122      6.81165  353.413      6.74995  18.8931  0.180268  18.7947  0.17957   
1 1 1 30 4  8  o 16.289   0.11622   265.386      3.78622  265.703      5.36759  265.073      5.34154  16.297   0.16468   16.2777  0.164075  
1 1 1 30 4  9  o 8.91584  0.0704472 79.4981      1.25619  79.4353      1.74569  79.5656      1.80905  8.912    0.0979404 8.91925  0.101413  
1 1 1 30 4  10 f 10.5846  0.0806544 112.046      1.7074   111.749      2.39317  112.353      2.43666  10.5701  0.113205  10.5986  0.114952  
1 1 1 30 4  11 o 5.50415  0.0635393 30.2978      0.699461 28.7354      0.968193 32.0034      1.01161  5.36017  0.0903137 5.65677  0.0894157 
1 1 1 30 4  12 o 1.48228  0.170616  2.19833      0.505799 2.27058      0.724334 2.12958      0.706612 1.50602  0.240479  1.4585   0.242239  
1 1 1 30 4  13 o 9.71991  0.0788936 94.4886      1.53368  95.7373      2.17489  93.2535      2.16306  9.78331  0.111153  9.65554  0.112011  
1 1 1 30 4  14 o 25.5785  0.173774  654.681      8.88976  655.853      12.7396  653.568      12.4109  25.5926  0.248891  25.5488  0.242886  
1 1 1 30 4  15 o 13.7138  0.117472  188.126      3.22198  184.531      4.29336  192.761      4.87498  13.5803  0.158073  13.8789  0.175625  
1 1 1 30 4  16 o 12.2872  0.100555  151.014      2.47107  148.72       3.40679  153.561      3.58962  12.192   0.139714  12.3887  0.144875  
1 1 1 30 4  17 o 10.0008  0.0893818 100.039      1.78778  102.883      2.59018  97.451       2.47064  10.1407  0.127712  9.86951  0.125166  
1 1 1 30 4  18 o 6.28653  0.088875  39.5307      1.11743  41.0891      1.6254   38.134       1.53873  6.4084   0.126818  6.1737   0.12462   
1 1 1 30 4  19 o 8.25343  0.0888317 68.1411      1.46633  69.5051      1.99254  66.5297      2.16567  8.33451  0.119536  8.1536   0.132805  
1 1 1 30 4  20 o 10.169   0.0956343 103.456      1.94502  104.781      2.74893  102.128      2.75241  10.2317  0.134335  10.1012  0.136242  
1 1 1 30 4  21 o 7.17127  0.0836805 51.4482      1.20019  52.1269      1.68683  50.7524      1.70802  7.217    0.116865  7.12107  0.119927  
1 1 1 30 4  22 o 0.919531 0.3194    0.762002     0.719835 0.0426756    1.01096  1.50171      1.02519  0.831632 0.351887  1.22204  0.37976   
1 1 1 30 4  23 o 3.67807  0.112739  13.5433      0.829322 13.9693      1.20954  13.1653      1.13929  3.73324  0.161996  3.62445  0.157167  
1 1 1 30 4  24 o 10.7182  0.0959847 114.994      2.05756  116.813      3.04892  113.473      2.78819  10.7964  0.141201  10.6425  0.130994  
1 1 1 30 4  25 o 4.87282  0.10097   23.7756      0.984013 25.0339      1.40678  22.5701      1.37691  4.99701  0.140762  4.74436  0.14511   
1 1 1 30 4  26 o 2.17817  0.183159  4.76831      0.797899 3.69001      1.07212  6.10704      1.19459  1.90955  0.280726  2.46026  0.242778  
1 1 1 30 4  27 o 2.36034  0.173704  5.60155      0.82     4.59719      1.18397  6.52742      1.13678  2.12925  0.278025  2.54341  0.223476  
1 1 1 30 4  28 o 2.90004  0.150612  8.44979      0.873562 8.52792      1.26854  8.37933      1.20474  2.90603  0.218259  2.88177  0.209028  
1 1 1 30 4  29 o 3.18881  0.136111  10.2147      0.868066 10.8944      1.15001  9.31445      1.32344  3.28839  0.174859  3.03435  0.218076  
1 1 1 30 4  30 o 3.59335  0.141785  12.988       1.01896  11.807       1.32907  14.6721      1.58708  3.41742  0.194456  3.80648  0.20847   
1 1 1 30 4  31 o 5.04093  0.102137  25.5012      1.02973  25.4617      1.44022  25.5426      1.47284  5.02825  0.143213  5.03547  0.146246  
1 1 1 30 4  32 o 3.61151  0.144487  13.1428      1.04363  12.9035      1.49741  13.3689      1.45532  3.56318  0.210123  3.62948  0.200485  
1 1 1 30 4  33 o 2.44281  0.185751  6.05313      0.90751  5.6817       1.22654  6.50244      1.34901  2.3502   0.260943  2.51217  0.268496  
1 1 1 30 4  34 o 1.26386  0.343065  1.75235      0.8893   1.10347      1.28421  2.35021      1.23269  1.11618  0.421304  1.44815  0.408142  
1 1 1 30 4  35 o 1.70909  0.269028  3.04768      0.919585 3.77818      1.30905  2.33598      1.29209  1.84389  0.367997  1.43379  0.422389  
1 1 1 30 4  36 o 0.685118 0.310575  -0.392571    0.916539 0.896443     1.28408  -1.73135     1.30863  1.05196  0.414929  0.676239 0.325878  
1 1 1 30 4  37 o 1.56822  0.327096  2.74222      0.99231  1.95088      1.35736  3.65066      1.45433  1.30815  0.439226  1.76554  0.417844  
1 1 1 30 4  38 o 2.79117  0.189339  8.04644      1.05695  9.44534      1.46958  6.54737      1.52128  2.99171  0.245608  2.45294  0.310094  
1 1 1 30 4  39 o 1.17064  0.377563  1.63107      1.00422  2.25464      1.45828  1.06865      1.38492  1.33214  0.455262  1.0602   0.426384  
1 1 1 30 4  40 o 1.51139  0.338585  2.72963      0.997898 0.8516       1.38016  4.78688      1.44452  0.997428 0.415991  1.97877  0.378513  
1 1 1 30 4  41 o 2.0936   0.247925  4.87728      1.03811  5.24603      1.4217   4.45609      1.5194   2.07848  0.342004  1.8072   0.426693  
1 1 1 30 4  42 o 0.812805 0.353511  0.459142     1.07206  -0.935803    1.51803  1.84708      1.51422  0.736866 0.354085  1.10571  0.445363  
1 1 1 30 4  43 o 1.24151  0.406219  2.4299       1.16102  1.58764      1.6767   3.20573      1.60922  1.00645  0.439899  1.30788  0.475209  
1 1 1 30 4  44 o 1.1793   0.414548  2.6754       1.21564  2.47663      1.68154  2.89301      1.75946  1.01907  0.442972  1.06639  0.458139  
1 1 1 30 4  45 o 0.829546 0.368688  1.4803       1.23323  1.36279      1.72681  1.60263      1.76182  0.786628 0.377913  0.805416 0.385671  
1 1 1 30 5  0  o 12.0041  0.123552  144.163      2.96557  144.163      2.96557  144.163      2.96557  12.0055  0.0873447 ?        ?         
1 1 1 30 5  1  o 14.7591  0.104979  217.871      3.09879  220.392      4.42666  215.448      4.33934  14.8429  0.149117  14.6755  0.147843  
1 1 1 30 5  2  o 7.04491  0.0601314 49.6336      0.84724  50.6864      1.20539  48.6056      1.19109  7.11903  0.0846599 6.97136  0.0854275 
1 1 1 30 5  3  o 20.2943  0.13882   411.982      5.63452  410.845      7.94732  413.132      7.98967  20.2632  0.196102  20.3195  0.196601  
1 1 1 30 5  4  o 11.4581  0.0818014 131.302      1.87458  129.861      2.6003   132.861      2.70491  11.3945  0.114103  11.5253  0.117347  
1 1 1 30 5  5  o 13.1618  0.0952241 173.256      2.50664  174.858      3.50257  171.573      3.58886  13.2217  0.132455  13.0968  0.137013  
1 1 1 30 5  6  o 20.4309  0.144783  417.549      5.9161   416.077      8.2445   419.112      8.49436  20.3917  0.202153  20.4656  0.207528  
1 1 1 30 5  7  o 8.89111  0.0685105 79.0574      1.21827  79.1021      1.70826  79.0111      1.73791  8.89332  0.0960419 8.88818  0.097765  
1 1 1 30 5  8  o 16.0736  0.119059  258.417      3.82742  254.283      5.53999  262.191      5.29395  15.9426  0.173748  16.189   0.163504  
1 1 1 30 5  9  o 28.6682  0.195231  822.337      11.1939  819.871      15.791   824.828      15.8703  28.6166  0.275906  28.703   0.276458  
1 1 1 30 5  10 o 15.8755  0.11438   252.085      3.6317   250.349      4.99758  254.028      5.28658  15.8192  0.157959  15.9347  0.165883  
1 1 1 30 5  11 o 6.91577  0.0658064 47.8316      0.910205 46.9966      1.27812  48.6908      1.29653  6.85488  0.0932268 6.97734  0.0929099 
1 1 1 30 5  12 o 3.35807  0.0822939 11.2781      0.552697 11.4756      0.779259 11.0783      0.784027 3.38712  0.115033  3.32795  0.117794  
1 1 1 30 5  13 o 12.4372  0.0940035 154.713      2.33829  156.384      3.38359  153.186      3.23508  12.503   0.135312  12.3746  0.130714  
1 1 1 30 5  14 o 8.44248  0.0827489 71.2861      1.39721  73.6818      1.98217  68.9202      1.9698   8.58256  0.115477  8.30054  0.118655  
1 1 1 30 5  15 o 6.93182  0.0803932 48.0575      1.11454  48.2659      1.58229  47.8524      1.57018  6.94629  0.113895  6.91648  0.11351   
1 1 1 30 5  16 o 9.41779  0.0869669 88.7125      1.63807  88.8204      2.26737  88.5947      2.36915  9.42264  0.120315  9.41049  0.125878  
1 1 1 30 5  17 o 6.1732   0.0860956 38.1168      1.06297  37.9107      1.43066  38.3707      1.58818  6.15593  0.116202  6.19289  0.128226  
1 1 1 30 5  18 o 5.77754  0.09251   33.3899      1.06896  32.4126      1.46493  34.5029      1.56333  5.69155  0.128694  5.87209  0.133115  
1 1 1 30 5  19 o 7.04183  0.0834304 49.6026      1.17501  49.3687      1.62699  49.8576      1.69874  7.02418  0.115814  7.05871  0.12033   
1 1 1 30 5  20 o 8.75159  0.0894866 76.6224      1.5663   77.9524      2.2545   75.3815      2.17766  8.82532  0.127729  8.6787   0.12546   
1 1 1 30 5  21 o 3.49825  0.11473   12.2477      0.802709 11.7178      1.12486  12.7974      1.14584  3.42028  0.164439  3.57451  0.160279  
1 1 1 30 5  22 o 6.52488  0.0849071 42.5967      1.10802  42.4701      1.57035  42.7222      1.56362  6.51338  0.120548  6.53273  0.119676  
1 1 1 30 5  23 o 2.11621  0.176759  4.4916       0.74812  3.51766      1.05908  5.46159      1.05693  1.86848  0.283406  2.33136  0.226676  
1 1 1 30 5  24 o 1.5255   0.272568  2.41707      0.801617 1.98145      1.15243  2.82541      1.11577  1.3793   0.396545  1.63863  0.350644  
1 1 1 30 5  25 o 3.38571  0.118583  11.4849      0.802978 11.1361      1.11754  11.8571      1.15453  3.33074  0.167762  3.43685  0.167963  
1 1 1 30 5  26 o 2.69696  0.15753   7.30182      0.849703 7.93102      1.15309  6.55419      1.25694  2.80687  0.205405  2.5479   0.246662  
1 1 1 30 5  27 o 2.93059  0.143191  8.62131      0.839266 7.85267      1.16751  9.44322      1.20729  2.79084  0.209167  3.06185  0.197151  
1 1 1 30 5  28 o 5.79558  0.0955804 33.6539      1.10789  33.411       1.59346  33.8811      1.54141  5.76866  0.138114  5.81     0.132652  
1 1 1 30 5  29 o 3.17047  0.141581  10.1035      0.897754 9.23961      1.18492  11.2677      1.37553  3.02491  0.19586   3.33872  0.205996  
1 1 1 30 5  30 o 3.47859  0.141337  12.1731      0.983308 11.3773      1.31157  13.1946      1.48591  3.35391  0.195528  3.60964  0.205825  
1 1 1 30 5  31 o 6.42407  0.097928  41.4088      1.25819  40.3165      1.74479  42.592       1.81605  6.32814  0.13786   6.50371  0.139617  
1 1 1 30 5  32 o 1.20006  0.34899   1.54147      0.887607 1.14102      1.26022  1.93568      1.25037  1.13387  0.419521  1.34325  0.419796  
1 1 1 30 5  33 o 4.35021  0.118123  19.0424      1.02771  19.1404      1.40243  18.9288      1.51038  4.3497   0.16121   4.32122  0.174763  
1 1 1 30 5  34 o 1.88727  0.237337  3.66988      0.895841 3.82648      1.30785  3.53146      1.22959  1.86432  0.363735  1.79285  0.355553  
1 1 1 30 5  35 f 2.6814   0.176358  7.32671      0.945774 6.82101      1.34298  7.82427      1.33214  2.55796  0.262511  2.74788  0.242393  
1 1 1 30 5  36 o 1.38871  0.336097  2.16343      0.924768 2.22805      1.28712  2.09447      1.32955  1.38721  0.424397  1.35035  0.434329  
1 1 1 30 5  37 o 1.44     0.347708  2.35193      0.991525 2.49733      1.3664   2.19021      1.44103  1.45302  0.435832  1.36956  0.452562  
1 1 1 30 5  38 o 0.864718 0.356868  0.441376     0.999218 1.22039      1.38042  -0.416064    1.44824  1.11369  0.432405  0.852729 0.387738  
1 1 1 30 5  39 o 2.45351  0.211867  6.35081      1.03964  5.53185      1.50794  7.09275      1.43529  2.1995   0.342791  2.54244  0.282266  
1 1 1 30 5  40 o 0.760549 0.334011  0.0859371    0.976194 -0.43327     1.37619  0.611775     1.38495  0.798782 0.368494  0.951182 0.407481  
1 1 1 30 5  41 o 0.592069 0.28559   -1.11448     1.01099  -1.43929     1.35177  -0.702166    1.52301  0.67058  0.324737  0.783439 0.369336  
1 1 1 30 5  42 o 0.767839 0.342659  0.22536      1.07504  -0.762232    1.5531   1.13378      1.48955  0.754406 0.361453  0.970938 0.419404  
1 1 1 30 5  43 o 1.11398  0.403366  1.985        1.15856  -0.711003    1.66632  4.50795      1.61195  0.753087 0.363971  1.61071  0.470915  
1 1 1 30 5  44 o 0.751585 0.345207  0.529805     1.19223  0.350644     1.66616  0.717789     1.70669  0.772764 0.371244  0.806376 0.384557  
1 1 1 30 5  45 o 0.666359 0.319913  0.193797     1.23215  -0.689208    1.7126   1.14133      1.77408  0.647692 0.323199  0.76267  0.370102  
1 1 1 30 6  0  o 24.4953  0.252711  600.501      12.3775  600.501      12.3775  600.501      12.3775  24.5002  0.178637  ?        ?         
1 1 1 30 6  1  o 18.9677  0.136119  359.875      5.16374  360.585      7.31296  359.17       7.29234  18.9837  0.192612  18.9464  0.192447  
1 1 1 30 6  2  o 18.7886  0.130431  353.103      4.90123  352.733      6.84982  353.491      7.01592  18.7765  0.182405  18.7964  0.18663   
1 1 1 30 6  3  o 9.44951  0.0733109 89.3002      1.3855   90.5367      1.96182  88.0699      1.95699  9.51432  0.103098  9.3838   0.104275  
1 1 1 30 6  4  o 16.199   0.116391  262.46       3.77085  264.063      5.30622  260.825      5.35976  16.2468  0.1633    16.1468  0.16597   
1 1 1 30 6  5  o 29.4304  0.201993  866.67       11.8895  861.425      16.918   871.787      16.7123  29.3317  0.288391  29.5083  0.28318   
1 1 1 30 6  6  o 8.50142  0.069635  72.2794      1.18399  72.4921      1.67844  72.0686      1.67043  8.51361  0.098574  8.4887   0.0983911 
1 1 1 30 6  7  o 7.49889  0.0639995 56.2368      0.959851 55.8878      1.35399  56.5894      1.36091  7.47535  0.0905636 7.52212  0.0904602 
1 1 1 30 6  8  o 14.3332  0.106297  205.476      3.04717  204.753      4.30175  206.205      4.31699  14.3067  0.15034   14.3574  0.150341  
1 1 1 30 6  9  o 20.1065  0.137347  404.39       5.52312  402.826      7.70818  406.04       7.91778  20.0646  0.192084  20.1442  0.196527  
1 1 1 30 6  10 o 16.2738  0.115832  264.898      3.77007  263.572      5.25151  266.307      5.41564  16.2312  0.161772  16.315   0.165971  
1 1 1 30 6  11 o 8.77518  0.071483  77.0111      1.25455  76.5991      1.80315  77.3978      1.74661  8.75121  0.103023  8.79678  0.0992758 
1 1 1 30 6  12 o 7.59571  0.0683025 57.7004      1.03761  57.7627      1.46034  57.6369      1.47458  7.59945  0.0960817 7.59116  0.0971247 
1 1 1 30 6  13 o 13.2617  0.101287  175.912      2.68647  175.696      3.76671  176.135      3.83263  13.2522  0.142117  13.2686  0.144424  
1 1 1 30 6  14 o 6.09361  0.0741774 37.1367      0.904016 36.8034      1.24726  37.5056      1.31215  6.06586  0.10281   6.12339  0.107143  
1 1 1 30 6  15 o 4.55417  0.0849936 20.7442      0.774151 22.6381      1.13069  19.0729      1.06215  4.75711  0.118842  4.36644  0.121627  
1 1 1 30 6  16 o 8.11889  0.0918119 65.9318      1.49082  67.1043      2.19394  64.9259      2.03204  8.18967  0.133945  8.05587  0.126121  
1 1 1 30 6  17 o 6.67897  0.0840135 44.6185      1.12225  45.1866      1.57822  44.0375      1.59613  6.72065  0.117416  6.63458  0.120289  
1 1 1 30 6  18 o 7.26944  0.0855678 52.8594      1.24406  53.6251      1.72318  52.0259      1.79793  7.32099  0.117688  7.21077  0.12467   
1 1 1 30 6  19 o 9.20421  0.0884217 84.7483      1.6277   87.7666      2.33068  81.8744      2.2742   9.36498  0.124436  9.0451   0.125715  
1 1 1 30 6  20 o 6.41679  0.0866537 41.1922      1.11208  40.9135      1.6438   41.4274      1.51011  6.39347  0.128553  6.43399  0.117355  
1 1 1 30 6  21 o 4.48363  0.0964593 20.115       0.864975 18.5482      1.21819  21.7081      1.2284   4.30395  0.141519  4.65655  0.1319    
1 1 1 30 6  22 o 8.06617  0.0839224 65.0989      1.35386  67.3511      1.94949  63.0008      1.88162  8.20219  0.118839  7.93289  0.118596  
1 1 1 30 6  23 o 1.7718   0.208691  3.15328      0.739515 3.36515      1.04923  2.94414      1.04247  1.8268   0.287178  1.67987  0.321758  
1 1 1 30 6  24 o 7.39216  0.0878329 54.6932      1.29855  57.0102      1.87532  52.5589      1.79986  7.54369  0.124297  7.24321  0.124244  
1 1 1 30 6  25 o 1.84309  0.202568  3.41651      0.746702 2.86718      1.03986  4.00132      1.07291  1.65342  0.326067  1.99019  0.26955   
1 1 1 30 6  26 o 5.57917  0.0979096 31.1759      1.09251  32.9063      1.50861  29.2677      1.58425  5.72821  0.131682  5.40038  0.146679  
1 1 1 30 6  27 o 1.21755  0.316852  1.56744      0.778888 1.90859      1.10037  1.22487      1.10266  1.34577  0.387672  1.14162  0.39543   
1 1 1 30 6  28 o 1.70165  0.233589  2.93047      0.794976 3.19703      1.1569   2.69199      1.09425  1.73709  0.345263  1.58901  0.353561  
1 1 1 30 6  29 o 3.73301  0.133234  14.0018      0.994724 13.8369      1.31533  14.222       1.52034  3.70427  0.177542  3.75073  0.202673  
1 1 1 30 6  30 o 3.1827   0.146521  10.1967      0.932661 11.3389      1.29625  8.97073      1.34295  3.34795  0.193589  2.9717   0.225957  
1 1 1 30 6  31 o 3.08926  0.153327  9.62447      0.947332 9.73492      1.34625  9.51614      1.3333   3.09362  0.217585  3.05858  0.217961  
1 1 1 30 6  32 o 2.34079  0.189848  5.55711      0.888788 4.90941      1.24714  6.22556      1.26697  2.18089  0.285924  2.46324  0.257176  
1 1 1 30 6  33 o 1.31416  0.32649   1.88468      0.855379 1.51998      1.1736   2.29795      1.24932  1.20917  0.408415  1.43681  0.412813  
1 1 1 30 6  34 o 3.43091  0.147495  11.9149      1.01208  11.6974      1.45152  12.1207      1.41191  3.37643  0.214949  3.44088  0.205167  
1 1 1 30 6  35 o 1.84014  0.246837  3.51512      0.90843  3.50567      1.26694  3.52513      1.30325  1.76982  0.369939  1.77019  0.379093  
1 1 1 30 6  36 o 2.12715  0.224544  4.69521      0.955279 6.36911      1.3521   3.02692      1.34984  2.45533  0.275341  1.60918  0.416349  
1 1 1 30 6  37 o 0.855542 0.348052  0.450026     0.936953 0.589773     1.31126  0.304242     1.33928  0.984958 0.407792  0.939597 0.401552  
1 1 1 30 6  38 o 1.63334  0.321717  3.02329      1.01351  3.91487      1.39511  2.02687      1.47486  1.81376  0.395554  1.29936  0.456626  
1 1 1 30 6  39 o 1.56122  0.327318  2.83509      0.989283 2.70107      1.39843  2.96935      1.39969  1.4462   0.442352  1.51979  0.437046  
1 1 1 30 6  40 o 0.679798 0.313539  -0.434959    0.995651 -0.424655    1.41185  -0.445153    1.40431  0.805567 0.372238  0.801203 0.370611  
1 1 1 30 6  41 o 0.779262 0.340895  0.241747     1.00871  0.897635     1.36554  -0.545959    1.49649  0.963573 0.408403  0.79108  0.371167  
1 1 1 30 6  42 o 0.887356 0.370266  0.88952      1.09426  0.937672     1.54059  0.840493     1.55454  0.936689 0.414721  0.924128 0.412238  
1 1 1 30 6  43 o 0.807024 0.357777  0.589058     1.15159  0.452653     1.61462  0.730293     1.64295  0.842661 0.392697  0.875609 0.403438  
1 1 1 30 6  44 o 0.843442 0.370158  1.11356      1.1972   0.923957     1.65797  1.32013      1.73056  0.828404 0.38904   0.869581 0.405749  
1 1 1 30 7  0  o 13.1766  0.134393  173.699      3.54085  173.699      3.54085  173.699      3.54085  13.178   0.0950086 ?        ?         
1 1 1 30 7  1  o 16.6689  0.119106  277.91       3.97074  281.079      5.73775  274.998      5.5007   16.7618  0.171156  16.5797  0.165887  
1 1 1 30 7  2  o 13.8701  0.0983334 192.407      2.72779  194.834      3.94533  190.185      3.77562  13.9562  0.141347  13.7888  0.136909  
1 1 1 30 7  3  o 12.5159  0.0919606 156.666      2.30193  159.593      3.3471   154.039      3.17089  12.6314  0.132492  12.4097  0.127758  
1 1 1 30 7  4  o 23.0009  0.164242  529.253      7.55542  529.173      10.6824  529.333      10.6875  22.9944  0.232283  22.9979  0.232359  
1 1 1 30 7  5  o 22.2165  0.15186   493.741      6.74759  488.602      9.4598   499.063      9.62748  22.0967  0.214055  22.3319  0.215555  
1 1 1 30 7  6  o 13.7743  0.101831  189.761      2.80531  187.524      3.92602  192.095      4.00992  13.6918  0.143371  13.8576  0.144683  
1 1 1 30 7  7  o 21.2833  0.144647  453.119      6.15712  446.404      8.50357  460.519      8.92682  21.1217  0.201299  21.4526  0.208059  
1 1 1 30 7  8  o 23.31    0.165184  543.58       7.70084  537.261      10.652   550.499      11.1461  23.1693  0.229872  23.4524  0.237633  
1 1 1 30 7  9  o 11.4473  0.0971355 131.061      2.22388  134.467      3.0883   127.393      3.20502  11.5943  0.133183  11.2849  0.142004  
1 1 1 30 7  10 o 10.1718  0.0858273 103.479      1.74603  101.653      2.48631  105.255      2.45255  10.0809  0.123318  10.258   0.119543  
1 1 1 30 7  11 o 5.80388  0.0633918 33.6877      0.735837 34.5772      1.06238  32.8675      1.02017  5.87975  0.0903421 5.73256  0.08898   
1 1 1 30 7  12 o 17.8969  0.125437  320.405      4.48986  319.972      6.35423  320.837      6.34502  17.8818  0.177673  17.906   0.177176  
1 1 1 30 7  13 o 7.03344  0.072079  49.4749      1.01393  48.2874      1.40782  50.7547      1.46151  6.94813  0.101309  7.12342  0.102585  
1 1 1 30 7  14 o 21.8128  0.156532  476.072      6.8288   471.535      9.70214  480.527      9.61323  21.702   0.22353   21.9085  0.219395  
1 1 1 30 7  15 o 11.8699  0.0993219 140.932      2.35789  140.283      3.0922   141.833      3.64461  11.8415  0.130566  11.9057  0.153061  
1 1 1 30 7  16 o 7.35574  0.0848592 54.1182      1.2484   54.9197      1.80662  53.3856      1.72709  7.40918  0.121917  7.30506  0.118212  
1 1 1 30 7  17 o 7.37231  0.0830567 54.3634      1.22464  53.6023      1.73557  55.1181      1.72826  7.31965  0.118555  7.42249  0.11642   
1 1 1 30 7  18 o 4.05423  0.107859  16.4447      0.874572 18.4532      1.2509   14.5241      1.22323  4.29382  0.145663  3.809    0.160571  
1 1 1 30 7  19 f 6.71213  0.0864095 45.0693      1.15998  45.9166      1.7012   44.333       1.5858   6.77354  0.125577  6.65597  0.119126  
1 1 1 30 7  20 o 10.2985  0.0910187 106.109      1.8747   107.286      2.71412  105.035      2.59252  10.3528  0.131082  10.2439  0.12654   
1 1 1 30 7  21 o 6.66894  0.0845558 44.4965      1.1278   43.6153      1.62367  45.3181      1.5677   6.60073  0.122991  6.72871  0.116493  
1 1 1 30 7  22 o 1.58173  0.220837  2.51215      0.698607 3.32054      0.986533 1.69899      0.989433 1.81656  0.271538  1.28095  0.36716   
1 1 1 30 7  23 o 3.4317   0.117788  11.7939      0.808427 11.7846      1.12177  11.804       1.16609  3.42803  0.163617  3.43047  0.169962  
1 1 1 30 7  24 o 9.02756  0.0957012 81.5885      1.7279   82.8711      2.41527  80.2439      2.47299  9.09347  0.132802  8.94737  0.138196  
1 1 1 30 7  25 o 5.42509  0.0922777 29.468       1.00123  30.7515      1.38849  28.0776      1.44511  5.53905  0.125336  5.29162  0.136547  
1 1 1 30 7  26 o 3.09012  0.136499  9.57942      0.843599 8.62572      1.18435  10.5616      1.2019   2.92661  0.202342  3.24023  0.185465  
1 1 1 30 7  27 o 3.06223  0.132254  9.41015      0.809985 9.57646      1.13438  9.23715      1.15694  3.08418  0.183903  3.02824  0.191025  
1 1 1 30 7  28 o 2.18716  0.179952  4.81929      0.787166 5.39599      1.1385   4.29111      1.08955  2.30688  0.246763  2.05501  0.265096  
1 1 1 30 7  29 o 2.91305  0.161717  8.54779      0.942178 7.99592      1.2911   9.17648      1.37803  2.80724  0.229959  3.00751  0.229098  
1 1 1 30 7  30 o 1.50997  0.28831   2.41227      0.839497 1.57687      1.14786  3.37297      1.23094  1.23769  0.403912  1.7709   0.360062  
1 1 1 30 7  31 o 0.753531 0.324047  -0.0162989   0.881738 0.83968      1.28199  -0.784721    1.21466  1.06969  0.416419  0.761127 0.349108  
1 1 1 30 7  32 o 1.37724  0.318518  2.0468       0.860551 2.81208      1.17738  1.16908      1.26092  1.60304  0.373765  1.13899  0.41998   
1 1 1 30 7  33 o 0.721103 0.311673  -0.0296122   0.823536 -0.217761    1.13341  0.180817     1.19864  0.808109 0.35702   0.900377 0.382176  
1 1 1 30 7  34 o 3.95658  0.130495  15.8077      1.03263  14.4479      1.46797  17.1396      1.45286  3.75997  0.19521   4.10309  0.177045  
1 1 1 30 7  35 o 1.04687  0.355504  1.13565      0.889216 1.60279      1.23723  0.636517     1.27889  1.22179  0.419281  1.00066  0.406786  
1 1 1 30 7  36 o 0.805698 0.341261  0.186967     0.952418 1.33056      1.30987  -1.09584     1.38731  1.15105  0.42734   0.76487  0.3586    
1 1 1 30 7  37 o 0.776343 0.333888  0.0993645    0.936257 -0.190118    1.30672  0.404747     1.34213  0.848124 0.378154  0.954622 0.404762  
1 1 1 30 7  38 o 2.24105  0.230579  5.30792      1.03348  4.42979      1.44483  6.22794      1.47888  1.93354  0.38729   2.37563  0.31126   
1 1 1 30 7  39 o 1.95809  0.254658  4.14927      0.997288 6.06756      1.43273  2.3462       1.38904  2.32699  0.307851  1.34912  0.444323  
1 1 1 30 7  40 o 0.747426 0.334322  -0.0501069   1.02864  0.150481     1.41917  -0.272135    1.49309  0.876919 0.392455  0.839082 0.385782  
1 1 1 30 7  41 o 1.47919  0.3535    2.79277      1.03305  3.34303      1.40855  2.15226      1.51969  1.52709  0.438194  1.21074  0.457919  
1 1 1 30 7  42 o 0.626924 0.30153   -0.869377    1.1071   1.02517      1.62707  -2.50274     1.51075  0.946386 0.421967  0.613518 0.30578   
1 1 1 30 7  43 o 1.01295  0.398604  1.75409      1.18243  1.75345      1.69788  1.7547       1.64768  0.97768  0.433805  0.980226 0.432096  
1 1 1 30 7  44 o 0.604929 0.295266  -0.861487    1.17337  -0.515748    1.62798  -1.23526     1.6927   0.709712 0.346685  0.672809 0.333618  
1 1 1 30 8  0  o 22.6031  0.213545  511.209      9.65164  511.209      9.65164  511.209      9.65164  22.6065  0.150962  ?        ?         
1 1 1 30 8  1  o 12.1678  0.0857978 148.071      2.08794  150.871      3.03466  145.554      2.87721  12.2815  0.123546  12.0633  0.119255  
1 1 1 30 8  2  o 34.4285  0.235638  1186.29      16.2253  1182.92      22.6377  1189.85      23.2673  34.3656  0.329366  34.4646  0.337553  
1 1 1 30 8  3  o 26.2963  0.187328  691.856      9.85207  696.321      14.3622  687.887      13.54    26.3731  0.272289  26.2144  0.258254  
1 1 1 30 8  4  o 29.001   0.203737  841.575      11.8172  842.834      16.9251  840.379      16.5067  29.0129  0.291683  28.9715  0.284879  
1 1 1 30 8  5  o 11.6425  0.0853134 135.562      1.98652  135.279      2.83839  135.835      2.78122  11.6296  0.122033  11.6535  0.119329  
1 1 1 30 8  6  o 16.8328  0.122377  283.406      4.11988  281.13       5.78766  285.745      5.8659   16.7631  0.172631  16.9001  0.173546  
1 1 1 30 8  7  o 33.0977  0.224513  1096.3       14.8618  1083.64      20.7907  1109.52      21.2523  32.8932  0.316034  33.2831  0.319266  
1 1 1 30 8  8  o 13.3745  0.0967812 178.906      2.58881  176.286      3.65955  181.53       3.66271  13.2752  0.137834  13.4712  0.135946  
1 1 1 30 8  9  o 17.2755  0.120675  298.518      4.16942  294.326      5.958    302.542      5.83678  17.1513  0.17369   17.3894  0.167826  
1 1 1 30 8  10 o 19.6263  0.134551  385.327      5.28146  377.97       7.26766  393.56       7.6883   19.4348  0.186975  19.8311  0.193845  
1 1 1 30 8  11 o 9.64893  0.0772101 93.1133      1.48999  92.6526      2.11049  93.5711      2.10386  9.62443  0.109642  9.67203  0.10876   
1 1 1 30 8  12 o 4.58552  0.0719256 21.0293      0.659632 20.1879      0.940548 21.8438      0.925359 4.49256  0.104678  4.67324  0.0990061 
1 1 1 30 8  13 o 4.7691   0.0765986 22.7473      0.730612 22.1459      1.00935  23.4092      1.05892  4.70533  0.107256  4.83765  0.109445  
1 1 1 30 8  14 o 8.79532  0.0848445 77.3714      1.49247  77.7328      2.09189  76.9966      2.12996  8.81508  0.118654  8.77317  0.121391  
1 1 1 30 8  15 o 11.6785  0.0930082 136.42       2.17239  138.303      3.10815  134.621      3.03752  11.7574  0.132179  11.5999  0.130928  
1 1 1 30 8  16 o 5.31224  0.0892679 28.2267      0.948424 28.6223      1.35587  27.8477      1.32714  5.34867  0.126748  5.27581  0.125776  
1 1 1 30 8  17 o 7.48413  0.0864021 56.0272      1.29329  56.9426      1.77851  55.0001      1.88401  7.54413  0.117874  7.41404  0.127057  
1 1 1 30 8  18 o 4.29964  0.098908  18.495       0.850538 17.1749      1.13945  20.1559      1.27814  4.1425   0.137532  4.48748  0.142412  
1 1 1 30 8  19 o 3.748    0.106252  14.0558      0.796469 14.2642      1.12587  13.8471      1.12688  3.77461  0.149137  3.71894  0.151506  
1 1 1 30 8  20 o 8.65726  0.0873494 74.9831      1.51241  74.5885      2.19468  75.3399      2.08712  8.63218  0.127122  8.676    0.120281  
1 1 1 30 8  21 o 3.3387   0.112854  11.1572      0.753571 11.9509      1.05605  10.3338      1.07565  3.45404  0.152871  3.21131  0.167477  
1 1 1 30 8  22 o 1.41766  0.258622  2.08521      0.706085 1.66226      1.00301  2.50072      0.994153 1.26989  0.371529  1.54412  0.331466  
1 1 1 30 8  23 o 3.94937  0.108191  15.6176      0.854575 17.1267      1.185    13.9822      1.23357  4.13378  0.143331  3.73368  0.165195  
1 1 1 30 8  24 o 1.80304  0.207037  3.26912      0.746592 3.66486      1.05266  2.86856      1.05905  1.90492  0.2763    1.65347  0.331941  
1 1 1 30 8  25 o 1.2814   0.301637  1.73035      0.761085 2.08568      1.05537  1.3453       1.09861  1.40425  0.370403  1.17898  0.39515   
1 1 1 30 8  26 o 8.97744  0.089894  80.7114      1.61404  81.7748      2.30711  79.6921      2.25884  9.02966  0.127752  8.91414  0.1267    
1 1 1 30 8  27 o 4.30196  0.102899  18.5473      0.885334 19.69        1.27033  17.468       1.23454  4.42802  0.143442  4.17012  0.148022  
1 1 1 30 8  28 o 2.9104   0.140796  8.51081      0.819543 8.81107      1.1641   8.21575      1.15399  2.95459  0.196998  2.85232  0.20229   
1 1 1 30 8  29 f 3.30224  0.144042  10.9698      0.951323 12.1692      1.3269   9.70126      1.36464  3.47038  0.191175  3.09327  0.220581  
1 1 1 30 8  30 o 2.43979  0.180524  6.01675      0.880881 5.95561      1.24249  6.07854      1.24904  2.41378  0.257374  2.43883  0.256074  
1 1 1 30 8  31 o 4.73375  0.122787  22.529       1.16249  23.1489      1.61484  21.8623      1.67481  4.78681  0.168676  4.64855  0.180143  
1 1 1 30 8  32 o 3.28752  0.140719  10.8938      0.925234 11.5104      1.30564  10.2717      1.31133  3.36713  0.19388   3.17763  0.206338  
1 1 1 30 8  33 o 4.85289  0.108032  23.6895      1.04854  22.8662      1.45021  24.5913      1.51781  4.75402  0.152525  4.92955  0.15395   
1 1 1 30 8  34 o 2.7421   0.170351  7.64661      0.934239 6.84621      1.33372  8.41767      1.30905  2.5663   0.259853  2.85778  0.229033  
1 1 1 30 8  35 o 0.586747 0.277673  -0.940218    0.872261 0.514022     1.23396  -2.39257     1.23316  0.963524 0.396931  0.595591 0.293354  
1 1 1 30 8  36 o 3.50377  0.150443  12.4873      1.05424  12.4872      1.44289  12.4875      1.54409  3.4773   0.207472  3.46908  0.222551  
1 1 1 30 8  37 f 3.15504  0.16535   10.1935      1.04337  11.0833      1.41964  9.14828      1.53864  3.26199  0.217603  2.93738  0.261906  
1 1 1 30 8  38 o 2.09187  0.239879  4.6588       1.00359  4.47275      1.42394  4.84244      1.41468  1.94161  0.38025   2.06818  0.342011  
1 1 1 30 8  39 o 1.0126   0.36707   1.13661      0.959677 0.998503     1.38618  1.26375      1.32994  1.03517  0.422602  1.08203  0.423536  
1 1 1 30 8  40 o 1.65508  0.332967  3.31114      1.06343  2.45833      1.46901  4.25013      1.54145  1.31653  0.456378  1.76723  0.437815  
1 1 1 30 8  41 o 0.730973 0.327129  0.0285515    0.985966 0.390279     1.36962  -0.360554    1.4205   0.873948 0.388478  0.787586 0.367536  
1 1 1 30 8  42 o 1.08156  0.398459  1.78652      1.13479  1.43369      1.67851  2.08356      1.54009  0.99667  0.437843  1.10547  0.447545  
1 1 1 30 8  43 o 1.26633  0.407643  2.79767      1.17101  3.28362      1.68942  2.3483       1.62461  1.19517  0.474503  1.04649  0.44459   
1 1 1 30 8  44 o 0.528027 0.264013  -1.87221     1.17157  -2.82535     1.64482  -0.890688    1.66914  0.580313 0.293363  0.682202 0.336573  
1 1 1 30 9  0  o 19.4828  0.184925  379.778      7.20423  379.778      7.20423  379.778      7.20423  19.4853  0.130731  ?        ?         
1 1 1 30 9  1  o 17.7452  0.123658  314.963      4.38868  310.563      6.19894  319.386      6.21416  17.6187  0.17592   17.8673  0.173898  
1 1 1 30 9  2  o 11.8642  0.085119  140.773      2.01973  140.032      2.84282  141.529      2.87004  11.8322  0.12013   11.8953  0.120638  
1 1 1 30 9  3  o 14.573   0.101168  212.404      2.94865  213.466      4.24215  211.412      4.10146  14.6081  0.145198  14.5378  0.141062  
1 1 1 30 9  4  o 6.70481  0.0597959 44.9568      0.801839 44.4956      1.14947  45.3941      1.11908  6.67012  0.0861657 6.73716  0.0830531 
1 1 1 30 9  5  o 28.771   0.195477  828.245      11.2482  832.268      16.3474  824.628      15.501   28.8313  0.283501  28.7003  0.270049  
1 1 1 30 9  6  o 22.8737  0.163689  523.419      7.48831  522.453      10.8341  524.302      10.3618  22.8472  0.2371    22.8885  0.226354  
1 1 1 30 9  7  o 16.9762  0.115679  288.255      3.92758  283.797      5.47766  292.972      5.63453  16.8426  0.162613  17.1126  0.164631  
1 1 1 30 9  8  o 3.58594  0.0720502 12.8601      0.516735 14.1025      0.784019 11.906       0.687086 3.75497  0.104397  3.4502   0.0995719 
1 1 1 30 9  9  o 15.4089  0.107716  237.488      3.31958  234.678      4.69734  240.292      4.69184  15.3157  0.15335   15.4979  0.15137   
1 1 1 30 9  10 o 6.7356   0.0664866 45.3724      0.895654 45.4795      1.30085  45.2758      1.23501  6.74321  0.0964562 6.72815  0.0917791 
1 1 1 30 9  11 o 25.6246  0.175624  657.046      9.00056  659.6        12.7979  654.545      12.6607  25.6658  0.249318  25.5675  0.247593  
1 1 1 30 9  12 o 11.0635  0.0882564 122.423      1.95286  123.391      2.68758  121.34       2.84243  11.1064  0.120993  11.0134  0.129044  
1 1 1 30 9  13 o 13.6621  0.102751  186.699      2.80757  185.932      3.96968  187.465      3.97133  13.6323  0.145599  13.6884  0.145062  
1 1 1 30 9  14 o 18.1379  0.135904  329.141      4.93003  339.064      7.45128  321.415      6.5749   18.4038  0.202438  17.9202  0.18345   
1 1 1 30 9  15 o 15.9961  0.117893  255.977      3.77166  253.577      5.42922  258.216      5.24351  15.9174  0.170543  16.0629  0.163218  
1 1 1 30 9  16 o 9.90591  0.090974  98.1532      1.80236  97.0549      2.59262  99.1804      2.50736  9.84889  0.13162   9.95639  0.125917  
1 1 1 30 9  17 o 11.5648  0.101433  133.799      2.34612  130.513      3.08808  138.285      3.60812  11.4201  0.135204  11.754   0.153485  
1 1 1 30 9  18 f 1.79689  0.199555  3.23493      0.717159 3.18164      0.98138  3.296        1.05058  1.78049  0.275592  1.81186  0.289919  
1 1 1 30 9  19 o 3.21063  0.121516  10.3166      0.780284 10.193       1.08875  10.4471      1.11884  3.19008  0.170646  3.22952  0.173222  
1 1 1 30 9  20 o 1.6787   0.209431  2.82601      0.703141 2.99041      0.979956 2.65155      1.00948  1.72473  0.28409   1.59374  0.327938  
1 1 1 30 9  21 o 5.37679  0.084297  28.9258      0.906494 28.8035      1.2486   29.0621      1.31818  5.36404  0.116386  5.38776  0.122331  
1 1 1 30 9  22 o 5.65431  0.0865128 31.9952      0.978341 32.8261      1.38639  31.1711      1.38079  5.72523  0.121077  5.57886  0.123752  
1 1 1 30 9  23 o 2.97579  0.13014   8.87242      0.774538 9.04078      1.07087  8.68774      1.12162  3.00131  0.1784    2.94137  0.190662  
1 1 1 30 9  24 o 7.51347  0.0856296 56.5092      1.28675  55.6128      1.8022   57.4413      1.8378   7.4499   0.120955  7.57133  0.121366  
1 1 1 30 9  25 o 4.05483  0.108517  16.4722      0.880039 16.148       1.21688  16.8278      1.27422  4.01109  0.15169   4.09426  0.155611  
1 1 1 30 9  26 o 4.33251  0.100408  18.8062      0.87004  17.9579      1.21297  19.7052      1.24865  4.22951  0.143394  4.43079  0.140906  
1 1 1 30 9  27 o 3.57671  0.115666  12.8291      0.827408 12.3262      1.17277  13.3275      1.16751  3.50056  0.167511  3.64086  0.160335  
1 1 1 30 9  28 o 4.328    0.109641  18.7887      0.949051 19.4035      1.29657  18.0791      1.39293  4.39287  0.147576  4.23752  0.164357  
1 1 1 30 9  29 o 3.88378  0.125277  15.1541      0.973095 14.8246      1.32611  15.5384      1.43235  3.83339  0.172968  3.92262  0.182576  
1 1 1 30 9  30 o 1.4004   0.31637   2.10491      0.865261 1.42213      1.21203  2.81454      1.23564  1.20028  0.414691  1.60522  0.388506  
1 1 1 30 9  31 o 2.04447  0.2244    4.25772      0.917557 4.24322      1.25101  4.27461      1.34986  2.02421  0.309013  2.02604  0.333127  
1 1 1 30 9  32 o 2.90073  0.156581  8.50079      0.908395 10.6883      1.25655  6.10596      1.31475  3.24363  0.193695  2.43372  0.270112  
1 1 1 30 9  33 o 2.72633  0.162295  7.5341       0.884936 7.79292      1.22709  7.25362      1.27741  2.75641  0.222588  2.65371  0.240683  
1 1 1 30 9  34 o 0.704775 0.312162  -0.202295    0.87398  -1.70325     1.26739  1.15861      1.20682  0.66796  0.321597  1.10789  0.410411  
1 1 1 30 9  35 o 1.0665   0.356386  1.2055       0.893634 2.22578      1.25858  0.16815      1.26906  1.39177  0.41845   0.906279 0.389213  
1 1 1 30 9  36 o 0.688992 0.312949  -0.410311    0.937864 -1.39059     1.26479  0.787052     1.39784  0.690968 0.329883  1.04744  0.425458  
1 1 1 30 9  37 o 2.06637  0.239471  4.48649      0.989668 4.19114      1.34059  4.84025      1.46717  1.91582  0.363049  2.05677  0.370155  
1 1 1 30 9  38 o 0.50722  0.251347  -1.99974     0.956949 -2.59112     1.3594   -1.41881     1.34734  0.610705 0.301885  0.699854 0.33564   
1 1 1 30 9  39 o 1.08879  0.364964  1.4064       0.937165 1.60175      1.29654  1.19266      1.35617  1.15251  0.425703  1.06563  0.424486  
1 1 1 30 9  40 o 1.31107  0.379841  2.24381      1.05341  2.71164      1.46167  1.73824      1.51949  1.36827  0.455792  1.1433   0.451236  
1 1 1 30 9  41 o 0.806629 0.342381  0.497417     0.962007 0.0705619    1.34431  0.945446     1.37725  0.815989 0.371709  0.952503 0.40714   
1 1 1 30 9  42 f 1.15822  0.404522  2.10354      1.15598  2.47762      1.69028  1.77484      1.58445  1.15646  0.468582  1.04451  0.441174  
1 1 1 30 9  43 o 1.14824  0.413207  2.47446      1.21413  0.41669      1.77701  4.27616      1.66277  0.80771  0.386905  1.38924  0.485163  
1 1 1 30 9  44 o 0.793682 0.359063  0.924716     1.21898  1.92673      1.74353  -0.0334075   1.70491  0.903087 0.41591   0.729516 0.356048  
1 1 1 30 10 0  o 2.0436   0.132668  4.22942      0.536999 4.22942      0.536999 4.22942      0.536999 2.05018  0.0930418 ?        ?         
1 1 1 30 10 1  o 8.27177  0.0656862 68.4266      1.08668  68.1215      1.54658  68.7241      1.5272   8.25302  0.093698  8.28946  0.0921172 
1 1 1 30 10 2  o 17.5779  0.118763  309.049      4.17523  310.085      5.92518  308.027      5.88436  17.6054  0.168277  17.5469  0.167675  
1 1 1 30 10 3  o 6.72551  0.0576153 45.2347      0.774984 45.0449      1.10212  45.4203      1.08997  6.7112   0.0821102 6.73912  0.080869  
1 1 1 30 10 4  o 4.014    0.0578154 16.113       0.464142 16.1759      0.660186 16.0515      0.652671 4.02172  0.0820775 4.00622  0.0814571 
1 1 1 30 10 5  o 13.0777  0.0913128 171.049      2.38833  168.484      3.33604  173.746      3.42076  12.9784  0.128522  13.1795  0.129776  
1 1 1 30 10 6  o 12.1652  0.0910779 148.012      2.21596  146.665      3.14873  149.334      3.11917  12.1088  0.130018  12.2186  0.12764   
1 1 1 30 10 7  o 27.7332  0.188678  769.608      10.4653  764.9        15.0578  774.008      14.5553  27.6387  0.272405  27.8041  0.261746  
1 1 1 30 10 8  o 15.445   0.110106  238.604      3.4012   231.177      4.73755  246.502      4.88592  15.201   0.15583   15.6968  0.155634  
1 1 1 30 10 9  o 8.32529  0.0717959 69.3177      1.19544  69.4967      1.75718  69.1635      1.63108  8.33553  0.105403  8.31565  0.0980731 
1 1 1 30 10 10 o 5.03921  0.0681275 25.3961      0.686618 24.6673      0.984261 26.087       0.958308 4.96611  0.0990978 5.10708  0.0938216 
1 1 1 30 10 11 o 18.8734  0.131722  356.338      4.97208  354.712      6.86807  358.129      7.20736  18.827   0.1824    18.9168  0.190501  
1 1 1 30 10 12 o 22.2999  0.157405  497.565      7.02021  493.418      9.86085  501.826      9.9967   22.2005  0.222086  22.3887  0.223253  
1 1 1 30 10 13 o 11.7513  0.0944688 138.124      2.22027  137.333      3.05619  139.008      3.23095  11.7164  0.130424  11.7874  0.137051  
1 1 1 30 10 14 o 16.9307  0.126446  286.772      4.28161  287.924      6.08607  285.644      6.02462  16.9608  0.179416  16.8936  0.178311  
1 1 1 30 10 15 o 9.86349  0.0904448 97.3127      1.7842   96.3504      2.4808   98.3438      2.56795  9.81343  0.126398  9.91431  0.129507  
1 1 1 30 10 16 o 9.36282  0.0862606 87.6855      1.61528  88.8155      2.29749  86.5809      2.27145  9.42172  0.121925  9.30243  0.122089  
1 1 1 30 10 17 o 1.74044  0.214456  3.03518      0.746493 2.47453      1.04292  3.62418      1.06896  1.53857  0.34716   1.90041  0.281244  
1 1 1 30 10 18 o 3.75185  0.100767  14.0836      0.756124 14.6147      1.051    13.5138      1.08863  3.82109  0.137527  3.67408  0.14815   
1 1 1 30 10 19 o 1.49612  0.236137  2.24571      0.706578 3.47768      0.953291 0.743779     1.05257  1.86126  0.256088  1.01015  0.38138   
1 1 1 30 10 20 o 5.58203  0.0841044 31.1742      0.938946 30.9359      1.27833  31.4535      1.38366  5.55944  0.114969  5.60535  0.123423  
1 1 1 30 10 21 o 1.18409  0.287489  1.46851      0.674969 0.507919     0.916642 2.60624      0.997586 0.903473 0.352034  1.57832  0.327037  
1 1 1 30 10 22 o 1.93584  0.185696  3.76114      0.718957 3.53947      0.999438 3.99887      1.03501  1.87436  0.266607  1.99267  0.259705  
1 1 1 30 10 23 o 6.10982  0.0861757 37.3634      1.05304  38.0065      1.47592  36.6967      1.50288  6.15957  0.119807  6.05211  0.124161  
1 1 1 30 10 24 o 5.49793  0.0893461 30.2618      0.982437 30.2927      1.37777  30.2297      1.40128  5.49768  0.125304  5.49174  0.127581  
1 1 1 30 10 25 o 1.12113  0.31281   1.3149       0.72767  0.228445     1.01629  2.45783      1.04237  0.868027 0.359171  1.52277  0.349473  
1 1 1 30 10 26 o 2.31128  0.167151  5.3714       0.772665 5.03852      1.05548  5.75576      1.13418  2.23244  0.236396  2.38591  0.237683  
1 1 1 30 10 27 o 4.83621  0.0977852 23.4385      0.94582  23.7384      1.34304  23.1434      1.33221  4.862    0.138116  4.80058  0.138755  
1 1 1 30 10 28 f 4.48406  0.11039   20.1725      0.989994 18.7939      1.32829  21.8953      1.48489  4.32163  0.15368   4.66353  0.159202  
1 1 1 30 10 29 o 2.49131  0.16812   6.26048      0.837674 6.60066      1.18017  5.91509      1.18918  2.54823  0.231567  2.40962  0.246756  
1 1 1 30 10 30 o 3.31422  0.150469  11.0739      0.997375 8.95387      1.39061  13.3198      1.43127  2.96282  0.234677  3.62406  0.197468  
1 1 1 30 10 31 f 2.38973  0.188055  5.78889      0.898804 5.99508      1.20711  5.53234      1.34648  2.4195   0.249455  2.31447  0.290882  
1 1 1 30 10 32 o 2.88163  0.156794  8.39753      0.903646 8.34982      1.23594  8.45233      1.32455  2.8591   0.216142  2.87244  0.230562  
1 1 1 30 10 33 o 3.71352  0.127483  13.9119      0.946823 14.0219      1.32274  13.7962      1.35589  3.71264  0.178141  3.68048  0.184201  
1 1 1 30 10 34 o 1.71775  0.258244  3.0711       0.887199 2.00601      1.26623  4.09823      1.24346  1.3375   0.423224  1.96466  0.316457  
1 1 1 30 10 35 o 1.32697  0.34904   1.98565      0.9388   2.93806      1.29752  0.939297     1.36001  1.59186  0.406156  1.07463  0.426023  
1 1 1 30 10 36 o 1.12012  0.36318   1.37928      0.928281 0.359922     1.28409  2.49515      1.3435   0.938622 0.396841  1.45521  0.43129   
1 1 1 30 10 37 o 2.66698  0.193738  7.36423      1.03339  7.0312       1.44274  7.71509      1.48088  2.55768  0.282041  2.68316  0.275957  
1 1 1 30 10 38 o 2.72327  0.185189  7.72465      1.00864  6.21659      1.40694  9.31927      1.44676  2.37057  0.296752  2.94754  0.245418  
1 1 1 30 10 39 o 1.40483  0.348367  2.39288      0.975232 3.5834       1.35659  1.11957      1.40296  1.67688  0.407845  1.04975  0.426289  
1 1 1 30 10 40 o 0.965352 0.377232  1.05884      1.05413  0.237031     1.51891  1.82242      1.46412  0.891796 0.402269  1.15368  0.445858  
1 1 1 30 10 41 o 1.2167   0.388166  2.09473      1.06353  2.68855      1.43915  1.38024      1.57863  1.29971  0.451604  1.02552  0.437042  
1 1 1 30 10 42 o 1.09743  0.404457  1.89948      1.16931  3.49348      1.61202  0.129488     1.69868  1.3745   0.477922  0.836564 0.393114  
1 1 1 30 10 43 o 1.73553  0.364023  4.5849       1.22314  2.6979       1.74785  6.39585      1.71227  1.04707  0.453328  1.84805  0.463637  
1 1 1 30 10 44 o 0.547914 0.272214  -1.23357     1.15082  -1.51181     1.57263  -0.912805    1.68857  0.604542 0.302271  0.650425 0.324049  
1 1 1 30 11 0  o 1.75637  0.155667  3.15746      0.536937 3.15746      0.536937 3.15746      0.536937 1.76694  0.108371  ?        ?         
1 1 1 30 11 1  o 7.86275  0.063503  61.8266      0.998617 61.5024      1.41087  62.1521      1.41365  7.84186  0.0899578 7.88317  0.0896623 
1 1 1 30 11 2  o 19.0185  0.130796  361.798      4.97509  364.917      7.08968  358.771      6.98322  19.0977  0.185616  18.9362  0.184388  
1 1 1 30 11 3  o 6.13152  0.0577167 37.5974      0.707781 38.2246      1.0196   37.0142      0.983291 6.18227  0.0824621 6.08361  0.0808147 
1 1 1 30 11 4  o 30.0712  0.208717  904.913      12.5528  901.932      17.7031  907.926      17.8019  30.0108  0.294946  30.1102  0.295613  
1 1 1 30 11 5  o 9.56358  0.0731262 91.4703      1.3987   91.1904      2.01519  91.7305      1.94291  9.54846  0.105524  9.57676  0.101439  
1 1 1 30 11 6  o 9.55131  0.0778083 91.2373      1.48634  87.5618      2.05937  95.2338      2.14741  9.35643  0.110051  9.75772  0.110036  
1 1 1 30 11 7  o 17.3353  0.124908  300.6        4.33062  297.097      6.29049  303.756      5.97086  17.231   0.182534  17.4237  0.171343  
1 1 1 30 11 8  f 8.93366  0.0759819 79.8196      1.35759  81.6361      2.01845  78.319       1.83455  9.03413  0.111713  8.84884  0.10366   
1 1 1 30 11 9  o 19.8044  0.140434  392.375      5.56241  388.593      7.63275  396.659      8.12297  19.7051  0.193675  19.9077  0.204016  
1 1 1 30 11 10 o 10.308   0.0797562 106.27       1.64426  105.53       2.29808  107.045      2.35358  10.2714  0.111868  10.3448  0.113756  
1 1 1 30 11 11 o 12.9543  0.107031  167.855      2.77302  177.937      4.04318  158.901      3.81046  13.3359  0.15159   12.6024  0.15118   
1 1 1 30 11 12 o 25.6101  0.181798  656.398      9.31175  661.736      13.4321  651.46       12.9204  25.703   0.261295  25.5039  0.253303  
1 1 1 30 11 13 o 6.98051  0.0737536 48.7345      1.02968  48.5158      1.44833  48.9581      1.46416  6.96433  0.103982  6.99599  0.104643  
1 1 1 30 11 14 o 19.1776  0.14069   367.99       5.3962   368.151      7.82599  367.844      7.45062  19.1757  0.20406   19.1687  0.194343  
1 1 1 30 11 15 o 10.7803  0.0955879 116.249      2.06093  115.809      3.0433   116.621      2.80095  10.758   0.141444  10.7962  0.129719  
1 1 1 30 11 16 o 9.10048  0.0884348 82.8439      1.6096   83.5213      2.34938  82.2448      2.20967  9.13604  0.128578  9.06625  0.121863  
1 1 1 30 11 17 o 8.48706  0.0865277 72.0553      1.46873  72.4392      2.10647  71.6921      2.04893  8.50806  0.123792  8.46421  0.121035  
1 1 1 30 11 18 o 6.68113  0.0832531 44.6543      1.11245  44.5039      1.48604  44.846       1.67785  6.66889  0.111416  6.69388  0.125327  
1 1 1 30 11 19 o 6.17317  0.0837876 38.1248      1.03447  37.402       1.39644  39.0037      1.53999  6.1132   0.114215  6.2423   0.123352  
1 1 1 30 11 20 o 9.11652  0.0850609 83.1554      1.55092  83.9484      2.2302   82.4128      2.15824  9.15725  0.121772  9.07334  0.118933  
1 1 1 30 11 21 o 5.77784  0.0844462 33.4055      0.975833 33.5271      1.33165  33.2646      1.43412  5.78671  0.115061  5.76341  0.124416  
1 1 1 30 11 22 o 1.93365  0.18222   3.75267      0.7047   4.00362      0.96256  3.46279      1.03452  1.99453  0.2413    1.85293  0.279157  
1 1 1 30 11 23 o 7.07022  0.0841774 50.0338      1.19031  50.7832      1.67716  49.2732      1.6896   7.11984  0.117781  7.0129   0.120464  
1 1 1 30 11 24 o 2.99191  0.13049   8.97424      0.78083  9.93169      1.07575  7.90812      1.13516  3.14454  0.171051  2.8035   0.202454  
1 1 1 30 11 25 o 1.00687  0.31311   1.02789      0.69675  0.932735     0.966412 1.13089      1.00545  1.03048  0.368867  1.09701  0.377827  
1 1 1 30 11 26 o 1.59847  0.229887  2.58252      0.734935 1.75054      1.01696  3.49204      1.0633   1.29019  0.373025  1.85336  0.286857  
1 1 1 30 11 27 o 3.78717  0.110823  14.3837      0.83941  14.1915      1.17961  14.5809      1.19474  3.75642  0.157013  3.80761  0.156889  
1 1 1 30 11 28 o 1.0862   0.332168  1.22441      0.788591 0.970706     1.05444  1.54641      1.18793  1.05484  0.384531  1.2381   0.4109    
1 1 1 30 11 29 o 4.17462  0.11183   17.4968      0.9337   15.6501      1.30528  19.432       1.33616  3.93865  0.165702  4.39184  0.152118  
1 1 1 30 11 30 o 3.45562  0.148782  12.0362      1.02826  10.4032      1.4781   13.5677      1.43139  3.19459  0.231345  3.65817  0.195643  
1 1 1 30 11 31 o 3.85819  0.125976  14.9794      0.972077 15.6468      1.36629  14.2952      1.38332  3.93205  0.173737  3.75564  0.184166  
1 1 1 30 11 32 o 1.26308  0.332712  1.74367      0.852247 0.962439     1.18667  2.57585      1.22475  1.06475  0.404077  1.51853  0.39832   
1 1 1 30 11 33 o 3.5035   0.135573  12.4028      0.94996  14.1822      1.33498  10.5776      1.35207  3.73197  0.178857  3.21193  0.210477  
1 1 1 30 11 34 o 2.02459  0.222621  4.22694      0.901432 3.68339      1.28437  4.75461      1.26548  1.81704  0.366273  2.12127  0.298283  
1 1 1 30 11 35 o 0.622493 0.29179   -0.801404    0.916886 -1.87383     1.25807  0.413569     1.33907  0.64364  0.312129  0.965592 0.406597  
1 1 1 30 11 36 o 3.17854  0.158382  10.3131      1.00685  10.819       1.42635  9.8107       1.42145  3.22463  0.221165  3.06478  0.231901  
1 1 1 30 11 37 o 1.93618  0.262906  4.01121      1.01807  4.56003      1.44267  3.46679      1.43687  1.97635  0.378481  1.68418  0.426044  
1 1 1 30 11 38 o 1.01754  0.366874  1.13792      0.957518 0.606053     1.32054  1.72756      1.39043  0.956947 0.403405  1.2      0.441162  
1 1 1 30 11 39 o 1.00424  0.367996  1.15132      0.966794 1.08852      1.33256  1.22112      1.40481  1.02838  0.416315  1.06307  0.428648  
1 1 1 30 11 40 o 1.14511  0.384427  1.73095      1.03979  1.97248      1.4577   1.48076      1.4836   1.18298  0.44817   1.08222  0.438795  
1 1 1 30 11 41 o 1.13313  0.391606  1.86159      1.08092  2.43099      1.50349  1.25243      1.55511  1.2125   0.456303  0.991615 0.428437  
1 1 1 30 11 42 o 1.29737  0.408209  2.66786      1.17965  1.62152      1.59806  3.92067      1.74864  1.00533  0.434338  1.40887  0.496992  
1 1 1 30 11 43 o 1.39539  0.411852  3.50382      1.22732  4.20957      1.82011  2.91536      1.66202  1.25096  0.493818  1.07847  0.4535    
1 1 1 30 11 44 o 0.972519 0.39115   2.21089      1.16562  3.87714      1.61624  0.404919     1.68264  1.10796  0.454987  0.71007  0.348246  
1 1 1 30 12 0  o 5.66647  0.0812077 32.1304      0.919897 32.1304      0.919897 32.1304      0.919897 5.66742  0.0573996 ?        ?         
1 1 1 30 12 1  o 8.13937  0.0648586 66.2539      1.05582  66.6583      1.48469  65.8402      1.50175  8.1639   0.0909305 8.11362  0.0925452 
1 1 1 30 12 2  o 5.54842  0.0571552 30.7866      0.634242 31.1671      0.898575 30.4089      0.895342 5.58245  0.0804822 5.51412  0.0811863 
1 1 1 30 12 3  o 22.4348  0.151858  503.516      6.8138   503.037      9.52875  504.017      9.74732  22.4198  0.212507  22.4413  0.217174  
1 1 1 30 12 4  o 23.3694  0.163162  546.379      7.62596  546.267      10.7896  546.491      10.7799  23.3614  0.230928  23.3662  0.230673  
1 1 1 30 12 5  o 3.17066  0.0668529 10.0539      0.423936 8.4982       0.589693 11.718       0.609889 2.91489  0.101152  3.42291  0.0890892 
1 1 1 30 12 6  o 12.7721  0.0963991 163.156      2.46244  162.458      3.47759  163.859      3.48727  12.7436  0.136445  12.7985  0.136238  
1 1 1 30 12 7  o 15.0368  0.108893  226.16       3.27481  229.352      4.81579  223.414      4.46648  15.1405  0.159037  14.9436  0.149444  
1 1 1 30 12 8  o 8.87831  0.0812896 78.8352      1.44343  82.5367      2.07955  75.394       2.00512  9.08373  0.114466  8.68176  0.115479  
1 1 1 30 12 9  o 15.1092  0.107194  228.342      3.23923  227.013      4.65588  229.59       4.50955  15.0631  0.154546  15.1486  0.148843  
1 1 1 30 12 10 o 1.72559  0.151375  2.97915      0.522423 4.16611      0.779264 2.01018      0.704079 2.04028  0.19097   1.39403  0.262168  
1 1 1 30 12 11 o 15.8995  0.124546  252.886      3.96043  249.872      5.69222  255.713      5.51381  15.8013  0.180119  15.9854  0.172464  
1 1 1 30 12 12 o 7.35498  0.0731146 54.1031      1.07551  55.0187      1.5361   53.2226      1.50634  7.41644  0.103561  7.29439  0.103254  
1 1 1 30 12 13 o 7.64488  0.0769512 58.4539      1.17657  56.1199      1.63221  60.9783      1.69754  7.49008  0.108958  7.80757  0.108711  
1 1 1 30 12 14 o 25.8783  0.190547  670.432      9.86205  669.956      14.3166  670.862      13.6047  25.853   0.276884  25.8735  0.262909  
1 1 1 30 12 15 o 3.31728  0.109789  11.0091      0.7284   11.2841      1.04059  10.7448      1.01995  3.35775  0.154954  3.27652  0.155645  
1 1 1 30 12 16 o 11.7778  0.0995185 138.777      2.34422  138.517      3.30146  139.041      3.32918  11.7642  0.140317  11.7864  0.14123   
1 1 1 30 12 17 o 4.26918  0.0981488 18.2347      0.83803  17.0781      1.1135   19.7456      1.27269  4.13069  0.134784  4.44132  0.143278  
1 1 1 30 12 18 f 12.9626  0.10956   168.145      2.84035  164.591      3.82973  172.489      4.23442  12.8211  0.149353  13.1237  0.161328  
1 1 1 30 12 19 o 4.00308  0.0958134 16.0345      0.767097 15.837       1.02572  16.2851      1.15553  3.97733  0.128945  4.03268  0.14327   
1 1 1 30 12 20 o 2.82502  0.122949  7.99041      0.694669 8.30361      0.983278 7.67831      0.981545 2.8782   0.170815  2.76745  0.177337  
1 1 1 30 12 21 o 7.3208   0.0807335 53.63        1.18207  55.556       1.68513  51.7643      1.65858  7.44874  0.113115  7.18987  0.115341  
1 1 1 30 12 22 o 6.26034  0.0819388 39.2221      1.02593  37.5067      1.41193  41.1408      1.49325  6.11957  0.115362  6.40908  0.116495  
1 1 1 30 12 23 o 5.40262  0.0888167 29.2199      0.959686 30.9794      1.36282  27.4892      1.35165  5.56017  0.122552  5.23702  0.129048  
1 1 1 30 12 24 o 5.26347  0.0921989 27.7411      0.970573 27.6846      1.34478  27.8026      1.40221  5.2548   0.127958  5.26541  0.133153  
1 1 1 30 12 25 o 0.638434 0.280583  -0.170898    0.689883 -0.523373    0.946908 0.227861     1.00716  0.695295 0.315409  0.863547 0.35745   
1 1 1 30 12 26 o 3.47807  0.115833  12.131       0.80575  11.5139      1.11228  12.8124      1.16883  3.38372  0.164357  3.5695   0.163725  
1 1 1 30 12 27 o 2.99515  0.134048  9.01064      0.802987 8.89791      1.0796   9.15022      1.20131  2.97091  0.181696  3.01024  0.199538  
1 1 1 30 12 28 o 1.42887  0.280549  2.15594      0.773164 2.39355      1.06007  1.88589      1.13013  1.49073  0.359255  1.3318   0.395735  
1 1 1 30 12 29 o 1.03459  0.339344  1.07767      0.81021  0.769042     1.15454  1.37713      1.13727  1.02311  0.395817  1.17786  0.402044  
1 1 1 30 12 30 o 4.21568  0.123374  17.8686      1.04021  16.928       1.5123   18.7132      1.43305  4.0892   0.184914  4.3044   0.166463  
1 1 1 30 12 31 o 1.69423  0.255871  2.94583      0.867008 3.4266       1.1933   2.40824      1.26184  1.78137  0.347332  1.47789  0.411781  
1 1 1 30 12 32 o 1.87369  0.227752  3.60253      0.853474 4.48688      1.20518  2.71283      1.20882  2.07466  0.290452  1.5595   0.38854   
1 1 1 30 12 33 o 2.03989  0.215141  4.27294      0.877726 4.37907      1.22197  4.15983      1.26156  2.04006  0.299494  1.982    0.318254  
1 1 1 30 12 34 o 2.01412  0.222867  4.18843      0.897762 5.31009      1.29386  3.14704      1.24671  2.24389  0.288307  1.66728  0.381893  
1 1 1 30 12 35 o 0.962826 0.360916  0.846835     0.93878  -0.213872    1.29921  2.00571      1.35801  0.849543 0.377974  1.32428  0.439332  
1 1 1 30 12 36 o 1.00213  0.362698  1.01293      0.936627 0.891738     1.30227  1.14279      1.34809  1.03987  0.41542   1.10126  0.427367  
1 1 1 30 12 37 o 1.11633  0.370662  1.42717      0.966659 1.22934      1.38843  1.61326      1.34665  1.10581  0.432769  1.18892  0.434446  
1 1 1 30 12 38 o 1.81147  0.261229  3.56421      0.946418 4.16607      1.33491  2.95595      1.34199  1.8652   0.371016  1.52288  0.424771  
1 1 1 30 12 39 o 1.20501  0.364444  1.81801      0.95279  1.37838      1.29108  2.34378      1.41191  1.07811  0.418263  1.30697  0.447962  
1 1 1 30 12 40 o 1.49769  0.348427  2.83772      1.02495  3.75965      1.44071  1.89293      1.45845  1.63436  0.433543  1.15933  0.445626  
1 1 1 30 12 41 o 0.568847 0.278486  -1.37745     1.06579  -1.72336     1.46615  -0.989835    1.55202  0.652908 0.321611  0.726694 0.351223  
1 1 1 30 12 42 o 0.847684 0.369124  0.847073     1.17148  1.3926       1.58361  0.187721     1.74099  0.950064 0.420579  0.82466  0.39122   
1 1 1 30 12 43 o 0.654785 0.314119  -0.322797    1.18231  0.290496     1.75166  -0.836012    1.60238  0.778808 0.375728  0.681864 0.335868  
1 1 1 30 13 0  o 19.4486  0.18565   378.465      7.2198   378.465      7.2198   378.465      7.2198   19.4514  0.131242  ?        ?         
1 1 1 30 13 1  o 12.8169  0.0898433 164.297      2.30303  164.625      3.2644   163.972      3.2496   12.8288  0.12723   12.8033  0.126905  
1 1 1 30 13 2  o 12.4224  0.0876266 154.337      2.17706  154.96       3.08958  153.722      3.0682   12.4466  0.124114  12.3968  0.12375   
1 1 1 30 13 3  o 4.25158  0.0591736 18.0771      0.503163 17.4994      0.717197 18.6371      0.706094 4.18295  0.0857286 4.3168   0.0817844 
1 1 1 30 13 4  o 35.0589  0.237783  1230.44      16.6728  1222.68      23.4494  1238.37      23.7107  34.9294  0.335668  35.1524  0.337256  
1 1 1 30 13 5  o 14.1676  0.103396  200.762      2.92975  199.683      4.12653  201.859      4.16026  14.1279  0.146042  14.2047  0.14644   
1 1 1 30 13 6  o 14.383   0.108471  206.921      3.12028  206.746      4.46471  207.087      4.36255  14.3751  0.155293  14.3872  0.151613  
1 1 1 30 13 7  o 16.7062  0.121231  279.184      4.05063  278.096      5.78505  280.23       5.6735   16.671   0.173507  16.7351  0.169509  
1 1 1 30 13 8  o 17.0494  0.119509  290.771      4.0751   289.504      5.76132  292.039      5.7648   17.0096  0.169355  17.0839  0.16872   
1 1 1 30 13 9  o 22.2333  0.156555  494.583      6.96148  490.152      10.0085  498.736      9.68932  22.1269  0.22616   22.3208  0.217047  
1 1 1 30 13 10 o 28.6009  0.1953    818.736      11.1715  828.078      15.9707  809.785      15.6325  28.7505  0.277747  28.4317  0.274914  
1 1 1 30 13 11 o 15.8627  0.114026  251.707      3.61753  252.855      5.18908  250.621      5.04585  15.8961  0.163219  15.826   0.159417  
1 1 1 30 13 12 o 14.9825  0.110672  224.549      3.31628  226.539      4.84467  222.794      4.54914  15.0459  0.160996  14.9216  0.152435  
1 1 1 30 13 13 o 12.0288  0.0998117 144.735      2.40123  146.321      3.5808   143.439      3.23689  12.0924  0.14806   11.9734  0.135171  
1 1 1 30 13 14 o 21.1066  0.150699  445.821      6.36147  449.304      9.06552  442.441      8.92898  21.1808  0.214004  21.0186  0.212407  
1 1 1 30 13 15 f 15.7419  0.119402  247.948      3.75922  243.606      5.11533  253.046      5.54309  15.5996  0.163957  15.8978  0.174335  
1 1 1 30 13 16 o 11.7628  0.104162  138.433      2.45047  138.184      3.41604  138.698      3.51715  11.7493  0.145372  11.7708  0.149401  
1 1 1 30 13 17 o 2.83385  0.120276  8.03699      0.68169  6.81884      0.939975 9.38847      0.990085 2.60902  0.180139  3.06192  0.161677  
1 1 1 30 13 18 o 7.64412  0.0864386 58.4595      1.32149  57.9412      1.83088  59.0231      1.90934  7.60849  0.120318  7.67896  0.124323  
1 1 1 30 13 19 o 3.37127  0.109115  11.3752      0.735713 11.4381      1.00476  11.3025      1.08024  3.3793   0.148664  3.35874  0.160811  
1 1 1 30 13 20 f 5.29958  0.0861372 28.1039      0.912981 28.3184      1.25414  27.8622      1.33164  5.31822  0.11791   5.27473  0.126228  
1 1 1 30 13 21 o 2.75496  0.127947  7.60314      0.704979 8.26019      0.97312  6.87741      1.02271  2.86965  0.169554  2.61715  0.195386  
1 1 1 30 13 22 o 6.36184  0.0816451 40.5063      1.03883  39.6147      1.4399   41.474       1.5002   6.28894  0.114478  6.43464  0.116573  
1 1 1 30 13 23 o 5.61397  0.088188  31.5519      0.99017  29.8424      1.36037  33.478       1.44399  5.45669  0.124652  5.77951  0.124923  
1 1 1 30 13 24 o 4.25113  0.0974584 18.1008      0.828618 18.2472      1.13616  17.9345      1.21111  4.26531  0.133186  4.22762  0.143238  
1 1 1 30 13 25 o 4.38114  0.0970746 19.2297      0.850594 19.8212      1.17904  18.5878      1.22831  4.44447  0.132642  4.30281  0.142734  
1 1 1 30 13 26 o 4.24481  0.103303  18.0605      0.877006 18.4731      1.20412  17.5943      1.27989  4.28885  0.140378  4.18392  0.152954  
1 1 1 30 13 27 o 2.53779  0.157501  6.48227      0.799408 6.7991       1.07599  6.09191      1.19431  2.593    0.20748   2.44928  0.243809  
1 1 1 30 13 28 o 1.26462  0.299416  1.70621      0.746529 2.19191      1.02957  1.16776      1.08404  1.42562  0.360642  1.11279  0.391435  
1 1 1 30 13 29 o 1.64483  0.253675  2.76677      0.834507 2.33825      1.19291  3.17746      1.16783  1.4635   0.39737   1.71668  0.352255  
1 1 1 30 13 30 o 1.80252  0.240282  3.3191       0.866226 3.67267      1.28847  3.0275       1.17012  1.84356  0.362364  1.66996  0.360593  
1 1 1 30 13 31 o 2.3154   0.191272  5.44388      0.885741 4.77861      1.22199  6.18032      1.28569  2.14934  0.284271  2.45039  0.262344  
1 1 1 30 13 32 o 4.00821  0.119195  16.1835      0.955518 16.2314      1.33176  16.1326      1.37174  4.00029  0.166458  3.98616  0.172063  
1 1 1 30 13 33 o 1.73574  0.246564  3.12152      0.855944 2.85189      1.19651  3.40412      1.22496  1.59251  0.38035   1.75094  0.362089  
1 1 1 30 13 34 o 2.87843  0.167245  8.44366      0.962802 9.27789      1.35267  7.58703      1.37072  2.99421  0.225881  2.69556  0.254255  
1 1 1 30 13 35 o 2.43549  0.1965    6.10625      0.95715  5.30219      1.34917  6.92098      1.3581   2.22593  0.303058  2.563    0.264944  
1 1 1 30 13 36 o 2.79157  0.179978  8.01531      1.00484  8.37401      1.38333  7.61461      1.46206  2.81993  0.245277  2.67268  0.27352   
1 1 1 30 13 37 f 1.50191  0.325505  2.60111      0.950218 1.44185      1.34103  3.77006      1.34661  1.14085  0.43055   1.76868  0.391107  
1 1 1 30 13 38 f 2.02677  0.229878  4.39307      0.931818 4.78286      1.30616  3.98907      1.32973  2.05426  0.317915  1.8111   0.379315  
1 1 1 30 13 39 o 1.01566  0.367088  1.2306       0.959149 0.56244      1.30289  2.02113      1.41719  0.911815 0.393035  1.21701  0.445584  
1 1 1 30 13 40 o 1.64575  0.315845  3.29607      1.00251  4.07753      1.40328  2.48147      1.43272  1.72648  0.411625  1.28868  0.450322  
1 1 1 30 13 41 o 0.635693 0.307111  -0.96365     1.18183  -1.94198     1.6649   0.0300036    1.67789  0.678058 0.334916  0.832022 0.390898  
1 1 1 30 13 42 o 0.781457 0.352661  0.580071     1.16873  0.243669     1.60765  0.95714      1.70205  0.791285 0.375649  0.86868  0.40419   
1 1 1 30 13 43 o 0.656632 0.315105  -0.322334    1.19211  -0.191601    1.73059  -0.440385    1.6445   0.741383 0.361276  0.713705 0.34859   
1 1 1 30 14 0  o 3.84362  0.0952439 14.8019      0.731148 14.8019      0.731148 14.8019      0.731148 3.84548  0.0672682 ?        ?         
1 1 1 30 14 1  o 9.09191  0.0787742 82.6727      1.43242  82.8336      2.0852   82.5288      1.9711   9.10015  0.11457   9.08351  0.108499  
1 1 1 30 14 2  o 18.6511  0.13231   347.981      4.93546  343.077      6.88463  353.166      7.07902  18.5161  0.185909  18.7862  0.18841   
1 1 1 30 14 3  o 4.79821  0.0584354 23.0244      0.560771 24.2921      0.819343 21.9074      0.769136 4.92836  0.0831253 4.68022  0.0821688 
1 1 1 30 14 4  o 25.712   0.181448  661.551      9.3308   655.982      12.9397  667.583      13.4676  25.5955  0.252773  25.8198  0.2608    
1 1 1 30 14 5  o 12.4704  0.0951376 155.539      2.3728   152.88       3.30667  158.362      3.40687  12.3622  0.133741  12.5818  0.135389  
1 1 1 30 14 6  o 9.19699  0.0798335 84.596       1.46846  84.766       2.14562  84.4462      2.01404  9.20553  0.11654   9.1883   0.109598  
1 1 1 30 14 7  o 9.73215  0.0811129 94.7281      1.57881  93.1295      2.27546  96.2121      2.1924   9.64892  0.117913  9.80746  0.111772  
1 1 1 30 14 8  o 14.9279  0.117663  222.909      3.51293  235.774      5.36739  213.269      4.64632  15.3498  0.174836  14.5997  0.159124  
1 1 1 30 14 9  o 4.68634  0.0688343 21.9642      0.645162 22.0256      0.947314 21.911       0.881076 4.69259  0.100937  4.68044  0.0941231 
1 1 1 30 14 10 o 8.27195  0.0796245 68.4358      1.3173   70.9513      1.94355  66.2983      1.7916   8.42187  0.115387  8.14115  0.110034  
1 1 1 30 14 11 o 7.89358  0.076016  62.3181      1.20008  62.5336      1.76845  62.1342      1.63386  7.90649  0.111835  7.88139  0.103653  
1 1 1 30 14 12 o 3.16043  0.100787  9.99127      0.637059 9.49277      0.910519 10.4693      0.891652 3.08006  0.147809  3.23474  0.137824  
1 1 1 30 14 13 o 17.3798  0.128702  302.216      4.47365  303.324      6.50166  301.221      6.16514  17.4066  0.186759  17.347   0.1777    
1 1 1 30 14 14 o 8.38609  0.0820227 70.3438      1.3757   70.7154      1.92224  69.9536      1.96969  8.40722  0.114321  8.36169  0.117781  
1 1 1 30 14 15 o 8.08147  0.0830881 65.3299      1.34295  67.5661      1.93838  63.2658      1.86233  8.21731  0.117945  7.95155  0.117105  
1 1 1 30 14 16 o 4.25986  0.0933479 18.1544      0.795299 17.2943      1.09623  19.1101      1.15555  4.15683  0.13186   4.36958  0.132227  
1 1 1 30 14 17 o 15.3426  0.114715  235.574      3.52007  235.133      4.95844  236.022      4.99805  15.3225  0.161803  15.3513  0.162789  
1 1 1 30 14 18 o 3.79388  0.102169  14.4035      0.775236 15.387       1.09144  13.402       1.10133  3.92008  0.139211  3.65809  0.150533  
1 1 1 30 14 19 o 12.8379  0.102965  164.949      2.64371  166.36       3.80138  163.627      3.67915  12.887   0.147489  12.7812  0.143928  
1 1 1 30 14 20 o 4.44822  0.0936379 19.8038      0.833043 20.2506      1.12996  19.2718      1.23297  4.49658  0.125647  4.38572  0.140566  
1 1 1 30 14 21 o 11.1357  0.0929501 124.124      2.07013  123.681      2.89526  124.587      2.96106  11.1106  0.130293  11.1508  0.132773  
1 1 1 30 14 22 o 9.62707  0.0892855 92.7783      1.71912  91.8425      2.41042  93.7472      2.45251  9.57339  0.125892  9.67201  0.126784  
1 1 1 30 14 23 o 1.75728  0.198738  3.10639      0.698478 4.082        0.978788 2.09403      0.997058 2.01135  0.243316  1.40647  0.354364  
1 1 1 30 14 24 o 1.87414  0.18098   3.53284      0.678364 4.02984      0.937695 2.98711      0.98258  1.99765  0.234699  1.68995  0.301565  
1 1 1 30 14 25 o 4.42926  0.0969166 19.6557      0.858537 20.3266      1.20278  18.9589      1.22586  4.50039  0.133631  4.34546  0.14105   
1 1 1 30 14 26 o 3.10044  0.12597   9.64801      0.781124 8.66253      1.02516  11.0121      1.20612  2.9329   0.17477   3.30578  0.182426  
1 1 1 30 14 27 o 1.71825  0.22271   2.99305      0.76534  3.61842      1.01759  2.17858      1.1613   1.88338  0.27015   1.42322  0.394543  
1 1 1 30 14 28 o 3.80188  0.114931  14.5142      0.873909 14.8046      1.1827   14.1649      1.29698  3.83328  0.154267  3.74591  0.17312   
1 1 1 30 14 29 o 2.2751   0.195717  5.24754      0.89055  4.35532      1.29121  6.05702      1.22988  2.05041  0.314867  2.43308  0.252742  
1 1 1 30 14 30 o 3.73213  0.123178  14.0119      0.919434 15.2956      1.32801  12.83        1.27421  3.88875  0.17075   3.55957  0.178984  
1 1 1 30 14 31 o 0.784161 0.326238  0.205959     0.845607 0.444415     1.18916  -0.0379556   1.20269  0.951543 0.390431  0.864451 0.375178  
1 1 1 30 14 32 o 2.2423   0.199732  5.13728      0.895716 5.78066      1.25659  4.47271      1.27712  2.35893  0.266348  2.06143  0.309766  
1 1 1 30 14 33 o 2.59315  0.171909  6.84591      0.891571 7.03866      1.24568  6.64345      1.27664  2.60762  0.238852  2.52833  0.252466  
1 1 1 30 14 34 o 0.485249 0.240771  -1.98981     0.885862 -2.09056     1.23824  -1.88417     1.26788  0.618791 0.30229   0.647103 0.313663  
1 1 1 30 14 35 o 0.741924 0.324007  -0.0450455   0.908031 0.677269     1.29043  -0.753464    1.27796  1.0016   0.40813   0.767534 0.354467  
1 1 1 30 14 36 o 1.55356  0.32112   2.71677      0.963837 1.87318      1.35782  3.57355      1.36839  1.27081  0.438935  1.73875  0.401343  
1 1 1 30 14 37 o 3.81634  0.135828  14.8831      1.03673  14.7377      1.4446   15.0376      1.48872  3.75767  0.19222   3.79232  0.196281  
1 1 1 30 14 38 o 0.646322 0.297796  -0.445361    0.895195 -0.44817     1.2443   -0.442347    1.28887  0.764574 0.351799  0.778411 0.358115  
1 1 1 30 14 39 o 1.00441  0.363824  1.22057      0.942624 0.734112     1.29596  1.76703      1.37356  0.932349 0.396619  1.14731  0.434932  
1 1 1 30 14 40 o 0.999328 0.374303  1.28241      1.00932  0.35431      1.34139  2.49363      1.53239  0.853947 0.381878  1.25644  0.463017  
1 1 1 30 14 41 o 0.731425 0.33736   -0.0317589   1.15278  -1.34049     1.66789  1.16525      1.59511  0.715    0.349649  0.952947 0.421948  
1 1 1 30 14 42 o 0.844781 0.369062  1.02324      1.17902  0.503178     1.64417  1.57376      1.69162  0.807756 0.381775  0.923151 0.419571  
1 1 1 30 14 43 o 0.867171 0.380108  1.36154      1.25927  1.74759      1.8328   1.01634      1.73314  0.888653 0.415778  0.821524 0.390019  
1 1 1 30 15 0  o 13.4974  0.136792  182.272      3.69184  182.272      3.69184  182.272      3.69184  13.4991  0.0967035 ?        ?         
1 1 1 30 15 1  o 21.7589  0.146233  473.655      6.36373  471.407      8.96213  475.941      9.03768  21.7024  0.206477  21.8065  0.207224  
1 1 1 30 15 2  o 13.0448  0.102211  170.203      2.66665  164.685      3.53367  177.502      4.06415  12.8305  0.137706  13.3198  0.15256   
1 1 1 30 15 3  o 10.0987  0.0820883 101.997      1.65797  100.877      2.28692  103.238      2.40713  10.0424  0.113863  10.1591  0.118471  
1 1 1 30 15 4  o 2.78983  0.0960483 7.78468      0.535918 8.69932      0.765188 6.90406      0.75082  2.94894  0.129739  2.62699  0.142905  
1 1 1 30 15 5  o 7.17552  0.0740306 51.494       1.06242  50.5216      1.5081   52.4521      1.49692  7.107    0.1061    7.24156  0.103356  
1 1 1 30 15 6  o 10.891   0.0942237 118.636      2.05238  121.471      2.97761  116.071      2.8328   11.0192  0.13511   10.7716  0.131494  
1 1 1 30 15 7  o 3.01643  0.0960788 9.10069      0.57963  9.69868      0.848292 8.577        0.793853 3.11363  0.136222  2.92806  0.13556   
1 1 1 30 15 8  o 19.2533  0.141849  370.864      5.46214  369.291      7.60949  372.536      7.84515  19.2082  0.19808   19.2919  0.203328  
1 1 1 30 15 9  o 17.5276  0.130307  307.346      4.56794  309.755      6.42844  304.888      6.49213  17.5926  0.182703  17.4536  0.185983  
1 1 1 30 15 10 o 9.49199  0.0822392 90.1138      1.56123  90.9251      2.28132  89.3991      2.14116  9.53366  0.119645  9.4535   0.113247  
1 1 1 30 15 11 o 4.75354  0.0757229 22.5998      0.719904 24.3383      1.07185  21.1711      0.971698 4.93255  0.108651  4.60047  0.105609  
1 1 1 30 15 12 f 9.78597  0.0876267 95.7878      1.71502  94.5522      2.3725   97.1402      2.48203  9.72156  0.122023  9.85356  0.125946  
1 1 1 30 15 13 o 13.6382  0.105576  186.073      2.87974  189.449      4.05856  182.651      4.0867   13.7588  0.147489  13.5094  0.151254  
1 1 1 30 15 14 o 15.9758  0.121939  255.384      3.89617  253.869      5.56014  256.845      5.46122  15.9232  0.174593  16.0167  0.170485  
1 1 1 30 15 15 o 6.59355  0.0799092 43.4882      1.05377  43.868       1.50971  43.1273      1.47154  6.62123  0.114005  6.56516  0.112072  
1 1 1 30 15 16 o 11.68    0.0955593 136.49       2.23226  136.969      3.11476  135.983      3.20077  11.6978  0.133135  11.6552  0.137311  
1 1 1 30 15 17 o 3.98577  0.0915928 15.8946      0.730136 15.9823      1.03211  15.8067      1.03303  3.99571  0.129152  3.97367  0.129984  
1 1 1 30 15 18 o 8.61983  0.084042  74.3391      1.44886  74.2103      2.10122  74.4557      2.00047  8.60989  0.122024  8.62456  0.115975  
1 1 1 30 15 19 o 4.381    0.0927543 19.2075      0.812714 19.1452      1.1122   19.2789      1.1905   4.37245  0.127182  4.38725  0.135677  
1 1 1 30 15 20 f 3.99976  0.0947323 16.0133      0.757814 15.9372      1.03088  16.1028      1.11781  3.98864  0.129227  4.00873  0.139422  
1 1 1 30 15 21 o 3.08223  0.11639   9.51553      0.717484 9.12244      0.97988  9.96987      1.05346  3.01557  0.16247   3.15223  0.167098  
1 1 1 30 15 22 o 5.03215  0.0913478 25.3522      0.919352 25.3082      1.24396  25.4051      1.36474  5.02531  0.123769  5.03384  0.135557  
1 1 1 30 15 23 o 2.01569  0.168829  4.08157      0.680614 3.77551      0.921531 4.44888      1.00955  1.93421  0.238219  2.09944  0.240432  
1 1 1 30 15 24 o 1.43676  0.228628  2.08454      0.656967 2.06863      0.908218 2.102        0.951474 1.39668  0.329977  1.40686  0.341183  
1 1 1 30 15 25 o 4.48772  0.0952891 20.178       0.855261 19.7322      1.17884  20.6735      1.24273  4.43393  0.132934  4.53794  0.136927  
1 1 1 30 15 26 o 0.715555 0.298691  0.117726     0.712509 0.16092      0.949394 0.0620241    1.07811  0.823799 0.34439   0.851707 0.362016  
1 1 1 30 15 27 o 4.80456  0.0997924 23.1502      0.958916 23.8491      1.33744  22.4108      1.37559  4.8704   0.137303  4.71965  0.14573   
1 1 1 30 15 28 o 1.28232  0.299138  1.75753      0.753859 2.41117      0.999748 0.896046     1.14774  1.49593  0.341532  1.05309  0.398055  
1 1 1 30 15 29 o 0.84338  0.340273  0.369236     0.886021 -0.278382    1.25251  1.01792      1.25354  0.849014 0.375172  1.10469  0.416455  
1 1 1 30 15 30 o 3.65921  0.12163   13.4688      0.890138 13.7682      1.26182  13.1723      1.25589  3.68896  0.171027  3.60749  0.174067  
1 1 1 30 15 31 o 2.14141  0.206872  4.68372      0.885996 3.457        1.23358  5.9908       1.27334  1.77563  0.359917  2.40609  0.264607  
1 1 1 30 15 32 o 0.781927 0.324293  0.23677      0.831494 0.420357     1.13749  0.0260969    1.21851  0.924036 0.380954  0.874093 0.378473  
1 1 1 30 15 33 o 0.863451 0.336759  0.556333     0.83923  -0.234227    1.15492  1.44079      1.22158  0.80524  0.357474  1.17777  0.415402  
1 1 1 30 15 34 o 1.19242  0.353631  1.59128      0.903035 1.31604      1.28891  1.85665      1.26558  1.1453   0.424166  1.28208  0.424118  
1 1 1 30 15 35 o 2.30284  0.204801  5.48586      0.943247 4.94615      1.31471  6.05837      1.35406  2.14278  0.306777  2.38374  0.284021  
1 1 1 30 15 36 o 1.04045  0.36521   1.16833      0.943211 1.08935      1.35317  1.24295      1.31543  1.07949  0.425896  1.10723  0.423902  
1 1 1 30 15 37 o 1.69345  0.272619  3.1295       0.923333 3.17627      1.28044  3.07883      1.33271  1.60373  0.400082  1.56512  0.417798  
1 1 1 30 15 38 o 1.34326  0.346211  2.19511      0.935723 2.43786      1.27563  1.91235      1.37678  1.36221  0.423673  1.21768  0.439833  
1 1 1 30 15 39 o 0.830609 0.346145  0.548007     0.954447 -1.99085     1.27832  3.7463       1.43476  0.606299 0.298627  1.64259  0.43124   
1 1 1 30 15 40 o 1.02977  0.383196  1.4451       1.05444  2.41559      1.46298  0.395939     1.52112  1.22755  0.452406  0.876651 0.398284  
1 1 1 30 15 41 o 0.790875 0.358496  0.331062     1.22102  0.256233     1.83109  0.390977     1.63849  0.863226 0.406371  0.856058 0.397643  
1 1 1 30 15 42 o 0.75599  0.340289  0.577106     1.08119  1.36057      1.59026  -0.0963299   1.47437  0.884075 0.403142  0.725593 0.348738  
1 1 1 30 15 43 o 0.705933 0.333093  0.379881     1.24407  0.666093     1.83449  0.136178     1.69279  0.760726 0.370929  0.717945 0.351359  
1 1 1 30 16 0  o 6.48878  0.101763  42.1399      1.3199   42.1399      1.3199   42.1399      1.3199   6.49015  0.0719218 ?        ?         
1 1 1 30 16 1  o 13.3264  0.10047   177.63       2.67779  176.81       3.68009  178.552      3.90374  13.2943  0.138409  13.3593  0.146105  
1 1 1 30 16 2  o 18.9377  0.128422  358.761      4.86403  357.857      6.86316  359.673      6.8945   18.9105  0.181464  18.9584  0.181832  
1 1 1 30 16 3  o 5.18255  0.0647924 26.8612      0.67158  25.8958      0.921323 27.9558      0.980999 5.08834  0.0905327 5.28683  0.0927775 
1 1 1 30 16 4  o 24.6165  0.180936  606.398      8.90803  597.739      12.7598  614.632      12.442   24.4307  0.261142  24.7749  0.2511    
1 1 1 30 16 5  o 16.3405  0.1221    267.098      3.99035  268.439      5.74738  265.849      5.54449  16.3786  0.175454  16.2997  0.17008   
1 1 1 30 16 6  o 13.1699  0.102923  173.487      2.71097  171.153      3.88685  175.698      3.78304  13.0793  0.148588  13.2521  0.142734  
1 1 1 30 16 7  o 7.40114  0.0768937 54.7845      1.1382   55.2955      1.69314  54.3632      1.53743  7.43495  0.113863  7.37219  0.104272  
1 1 1 30 16 8  o 12.7448  0.0984317 162.468      2.50898  163.016      3.55953  161.927      3.53705  12.7647  0.139429  12.722   0.139013  
1 1 1 30 16 9  o 8.05287  0.0776713 64.859       1.25095  66.2851      1.80901  63.5521      1.73175  8.14024  0.111115  7.97071  0.108632  
1 1 1 30 16 10 o 13.9845  0.10646   195.628      2.97759  197.488      4.25508  193.842      4.16815  14.0485  0.151442  13.9183  0.149736  
1 1 1 30 16 11 f 2.45684  0.122012  6.03877      0.599526 6.63428      0.876234 5.51461      0.82207  2.57458  0.170171  2.34723  0.175115  
1 1 1 30 16 12 o 5.38208  0.0755365 28.9723      0.813088 29.894       1.15421  28.0644      1.1456   5.46651  0.105571  5.29655  0.108146  
1 1 1 30 16 13 o 12.0921  0.0945381 146.27       2.28632  145.625      3.22677  146.92       3.23998  12.0633  0.133744  12.1168  0.133698  
1 1 1 30 16 14 o 16.6351  0.126339  276.929      4.20334  275.965      5.8607   277.95       6.03182  16.6003  0.176524  16.6593  0.181035  
1 1 1 30 16 15 o 13.0954  0.103507  171.583      2.71092  168.905      3.70985  174.652      3.9711   12.9895  0.142802  13.2079  0.15033   
1 1 1 30 16 16 o 2.78295  0.118865  7.75122      0.661591 7.79343      0.907554 7.70335      0.966486 2.78951  0.162673  2.77302  0.174266  
1 1 1 30 16 17 o 4.46987  0.0877055 19.99        0.784064 19.7782      1.10582  20.204       1.11187  4.44495  0.12439   4.49256  0.123746  
1 1 1 30 16 18 o 2.7693   0.126723  7.67866      0.701867 7.88077      0.991662 7.47579      0.993519 2.8038   0.176842  2.73061  0.181922  
1 1 1 30 16 19 o 1.55776  0.216755  2.43773      0.675303 3.20858      0.927159 1.56671      0.98556  1.78543  0.259646  1.23668  0.369984  
1 1 1 30 16 20 o 4.17599  0.0912969 17.4551      0.76251  16.4884      1.02863  18.6342      1.13606  4.05697  0.126773  4.31258  0.131715  
1 1 1 30 16 21 o 6.07538  0.0825275 36.9427      1.00277  35.8895      1.43966  37.9352      1.39754  5.98519  0.120269  6.15403  0.113547  
1 1 1 30 16 22 o 2.11343  0.164115  4.48432      0.693692 4.85531      0.958504 4.07629      1.00522  2.19572  0.218267  2.00966  0.250096  
1 1 1 30 16 23 o 1.2409   0.271486  1.61962      0.655256 0.949935     0.894262 2.39602      0.962882 1.01855  0.355789  1.50523  0.328914  
1 1 1 30 16 24 o 1.04734  0.306224  1.1383       0.681609 2.19328      0.940547 -0.0285736   0.989171 1.43745  0.333355  0.802064 0.344011  
1 1 1 30 16 25 f 2.28181  0.152407  5.23342      0.695528 6.08715      0.952245 4.25709      1.01833  2.45708  0.193776  2.0494   0.248446  
1 1 1 30 16 26 o 1.03586  0.312281  1.11211      0.700314 1.54948      0.93501  0.553222     1.05695  1.21417  0.359787  0.94995  0.375892  
1 1 1 30 16 27 o 3.18591  0.129123  10.201       0.822752 10.7104      1.10308  9.56228      1.23519  3.25868  0.169252  3.07371  0.200929  
1 1 1 30 16 28 o 3.43263  0.124918  11.8471      0.857591 11.9542      1.19085  11.7317      1.23605  3.4394   0.173119  3.40549  0.181479  
1 1 1 30 16 29 o 1.26288  0.320705  1.71786      0.811828 2.67512      1.15029  0.76788      1.14592  1.56611  0.372226  1.01795  0.394229  
1 1 1 30 16 30 o 2.26078  0.179407  5.17803      0.811199 4.66303      1.17547  5.64633      1.1209   2.12623  0.276421  2.34884  0.238607  
1 1 1 30 16 31 f 0.854172 0.339004  0.471403     0.862051 0.531895     1.17263  0.400267     1.27162  0.961739 0.390041  0.963846 0.40047   
1 1 1 30 16 32 o 0.696378 0.307166  -0.160811    0.834434 -0.504078    1.12736  0.2551       1.24093  0.756147 0.343361  0.921242 0.389834  
1 1 1 30 16 33 o 0.832289 0.337103  0.399819     0.874336 0.627764     1.2006   0.142416     1.27582  0.978188 0.395506  0.905919 0.389693  
1 1 1 30 16 34 o 1.1865   0.34479   1.57603      0.866685 1.86742      1.23134  1.28993      1.2201   1.28271  0.418341  1.12824  0.413405  
1 1 1 30 16 35 o 1.82705  0.255639  3.5289       0.934129 4.44128      1.31984  2.61317      1.32227  2.01533  0.327451  1.47782  0.424727  
1 1 1 30 16 36 o 0.737099 0.324346  -0.0408586   0.9242   -1.45874     1.32051  1.32053      1.29393  0.691609 0.331829  1.11548  0.422349  
1 1 1 30 16 37 f 2.40945  0.19869   6.09312      0.957465 4.66522      1.31683  7.69475      1.39464  2.02968  0.324392  2.66134  0.262018  
1 1 1 30 16 38 o 2.13782  0.228717  4.94198      0.977912 4.90297      1.32465  4.9887       1.44975  2.05418  0.322428  2.00952  0.37467   
1 1 1 30 16 39 o 0.595804 0.284927  -0.884861    0.953683 -1.88914     1.31516  0.228871     1.38497  0.62363  0.306502  0.861282 0.38652   
1 1 1 30 16 40 o 2.11234  0.253667  5.17669      1.07166  5.30616      1.50783  5.04453      1.5234   1.9375   0.402524  1.86163  0.419245  
1 1 1 30 16 41 o 0.882809 0.373375  0.976125     1.13738  1.2645       1.70183  0.743348     1.52901  0.953803 0.42824   0.87832  0.399115  
1 1 1 30 16 42 o 0.977937 0.380577  1.74605      1.07063  1.6357       1.58418  1.83881      1.45255  0.903194 0.408931  0.941438 0.41048   
1 1 1 30 16 43 o 0.816646 0.366711  1.44051      1.24832  1.49061      1.67382  1.37772      1.87383  0.792865 0.37876   0.778646 0.378641  
1 1 1 30 17 0  o 9.90473  0.111671  98.1543      2.21151  98.1543      2.21151  98.1543      2.21151  9.90601  0.078942  ?        ?         
1 1 1 30 17 1  o 8.02724  0.0703459 64.4435      1.12937  64.8443      1.60356  64.0491      1.59085  8.05172  0.0995788 8.00221  0.0994005 
1 1 1 30 17 2  f 10.4379  0.0816788 108.965      1.70511  108.214      2.47555  109.644      2.35197  10.401   0.119006  10.4696  0.112323  
1 1 1 30 17 3  o 19.5092  0.133693  380.757      5.2165   379.645      7.43957  381.833      7.31645  19.4766  0.190987  19.533   0.187285  
1 1 1 30 17 4  o 19.5453  0.141804  382.189      5.54319  378.099      7.76813  386.431      7.91238  19.436   0.199838  19.6489  0.201344  
1 1 1 30 17 5  o 8.39869  0.076245  70.5475      1.28072  69.2902      1.78735  71.8742      1.83605  8.32296  0.107374  8.47671  0.1083    
1 1 1 30 17 6  o 10.5743  0.0885651 111.836      1.87302  110.764      2.66789  112.878      2.63022  10.5224  0.126772  10.6224  0.123805  
1 1 1 30 17 7  o 10.0318  0.0888905 100.657      1.78347  102.201      2.66219  99.3997      2.4022   10.1073  0.131697  9.96811  0.120494  
1 1 1 30 17 8  o 14.4285  0.109233  208.247      3.15212  209.388      4.47816  207.126      4.43767  14.4656  0.154786  14.3873  0.154222  
1 1 1 30 17 9  o 18.9995  0.146288  361.199      5.5588   360.957      7.6527   361.469      8.088    18.988   0.201515  19.0002  0.21284   
1 1 1 30 17 10 o 9.107    0.0853875 82.9556      1.55525  83.3056      2.21997  82.6182      2.17949  9.12515  0.12164   9.08748  0.119917  
1 1 1 30 17 11 o 3.3908   0.0919767 11.5007      0.623749 12.086       0.946697 11.0517      0.82917  3.47543  0.136198  3.32356  0.124741  
1 1 1 30 17 12 o 7.82809  0.0774121 61.2928      1.21198  63.9166      1.84973  59.319       1.60434  7.99275  0.115713  7.7003   0.104174  
1 1 1 30 17 13 f 6.91791  0.082511  47.8718      1.14161  50.8701      1.68587  45.3326      1.55144  7.1301   0.118222  6.73095  0.115247  
1 1 1 30 17 14 o 3.43957  0.0989567 11.8364      0.680738 12.3295      0.940269 11.2932      0.986835 3.50978  0.13395   3.35874  0.146905  
1 1 1 30 17 15 o 4.15157  0.0857677 17.2426      0.712141 16.8912      0.966974 17.6591      1.05272  4.10831  0.117685  4.20043  0.125311  
1 1 1 30 17 16 o 4.95643  0.0765875 24.5752      0.7592   25.1847      1.0683   23.9533      1.07912  5.01663  0.106476  4.89232  0.110288  
1 1 1 30 17 17 o 3.02223  0.115884  9.14278      0.700453 8.34694      0.9509   10.0869      1.03571  2.88622  0.164731  3.17288  0.163212  
1 1 1 30 17 18 o 2.34509  0.141114  5.50902      0.661849 5.90687      0.926116 5.09373      0.946198 2.42653  0.190831  2.25258  0.210026  
1 1 1 30 17 19 o 7.23105  0.0842213 52.3272      1.21802  51.3256      1.74126  53.2868      1.70441  7.15863  0.121619  7.29456  0.116827  
1 1 1 30 17 20 o 4.80734  0.0870108 23.1312      0.836581 21.8009      1.13566  24.7096      1.23704  4.66504  0.12172   4.9663   0.124543  
1 1 1 30 17 21 o 6.10236  0.0832327 37.2746      1.01583  37.998       1.46735  36.6088      1.40771  6.15819  0.119138  6.04483  0.11644   
1 1 1 30 17 22 o 8.71634  0.0853524 76.0611      1.48792  76.5128      2.10811  75.6127      2.10038  8.73712  0.120641  8.68553  0.120913  
1 1 1 30 17 23 o 1.21593  0.269593  1.55637      0.638278 3.05225      0.889101 -0.0343686   0.916861 1.73667  0.255978  0.771866 0.331133  
1 1 1 30 17 24 o 2.38527  0.147913  5.71514      0.705624 6.24574      0.974761 5.13098      1.02278  2.4894   0.195782  2.25332  0.226948  
1 1 1 30 17 25 o 1.77273  0.192521  3.16997      0.682574 4.30463      0.935688 1.87933      0.997927 2.06233  0.226852  1.32874  0.364638  
1 1 1 30 17 26 o 2.23259  0.165648  5.02273      0.73965  5.03954      0.995571 5.00202      1.10501  2.22952  0.22327   2.2175   0.249157  
1 1 1 30 17 27 o 4.11474  0.106246  16.9913      0.874346 16.4731      1.18675  17.6065      1.29311  4.04491  0.146697  4.18017  0.154672  
1 1 1 30 17 28 o 1.05998  0.32733   1.17183      0.763264 1.52801      1.05844  0.78595      1.1017   1.20965  0.387369  1.01146  0.387734  
1 1 1 30 17 29 o 0.615978 0.280831  -0.468318    0.770822 -1.10205     1.09067  0.164103     1.08954  0.66941  0.314692  0.86773  0.366141  
1 1 1 30 17 30 o 2.37957  0.17677   5.74303      0.841274 7.07399      1.19272  4.42528      1.18679  2.62901  0.226837  2.06509  0.287344  
1 1 1 30 17 31 o 2.90965  0.16307   8.58622      0.948956 8.85153      1.26983  8.25065      1.42812  2.93866  0.216056  2.82448  0.252812  
1 1 1 30 17 32 o 1.12468  0.33967   1.37534      0.828047 -0.0926904   1.12576  3.10579      1.22225  0.82072  0.359572  1.66381  0.376103  
1 1 1 30 17 33 o 1.73751  0.259961  3.16138      0.903366 2.75749      1.25814  3.59119      1.29789  1.54662  0.402801  1.78177  0.375918  
1 1 1 30 17 34 o 1.68989  0.265853  3.01005      0.898522 2.714        1.25346  3.32296      1.28867  1.52637  0.404157  1.69963  0.38756   
1 1 1 30 17 35 o 1.71974  0.274779  3.15452      0.945099 2.59537      1.29953  3.78231      1.37698  1.47318  0.420306  1.79844  0.39363   
1 1 1 30 17 36 o 1.95839  0.238502  4.0833       0.934162 4.61361      1.32429  3.55805      1.31795  2.02809  0.326486  1.71577  0.392417  
1 1 1 30 17 37 o 1.48457  0.312179  2.5528       0.8976   2.55126      1.2527   2.55443      1.28679  1.41563  0.415536  1.41157  0.422853  
1 1 1 30 17 38 o 0.687955 0.313166  -0.250473    0.950575 -1.09843     1.29648  0.735313     1.39788  0.69392  0.331935  0.958646 0.409985  
1 1 1 30 17 39 o 1.10032  0.36496   1.57266      0.937149 1.17608      1.31217  1.98556      1.3389   1.00483  0.410848  1.18273  0.433094  
1 1 1 30 17 40 o 1.43588  0.366242  2.8765       1.05528  3.11186      1.48997  2.6396       1.49483  1.34695  0.460182  1.23502  0.456915  
1 1 1 30 17 41 o 0.956925 0.386945  1.47188      1.14933  -1.09351     1.71836  3.54858      1.54605  0.713746 0.350649  1.33911  0.467809  
1 1 1 30 17 42 o 0.748149 0.340017  0.523728     1.11067  0.562186     1.63586  0.490839     1.51279  0.796229 0.378438  0.780782 0.368086  
1 1 1 30 18 0  o 4.96649  0.10548   24.7025      1.04667  24.7025      1.04667  24.7025      1.04667  4.96832  0.0745202 ?        ?         
1 1 1 30 18 1  o 19.7854  0.135452  391.627      5.35994  393.483      7.69734  389.879      7.46806  19.8279  0.194104  19.7373  0.189187  
1 1 1 30 18 2  o 11.2438  0.0850073 126.443      1.9116   123.864      2.68783  129.082      2.71927  11.1276  0.120774  11.3596  0.119691  
1 1 1 30 18 3  o 5.71768  0.0641926 32.6951      0.734066 32.9773      1.06813  32.4424      1.01052  5.742    0.0930098 5.6953   0.0887154 
1 1 1 30 18 4  o 26.927   0.197382  725.739      10.6298  725.78       15.0289  725.697      15.0368  26.915   0.279191  26.9134  0.279355  
1 1 1 30 18 5  o 10.3328  0.0862109 106.786      1.7816   105.283      2.49546  108.349      2.54436  10.2588  0.121625  10.4071  0.122241  
1 1 1 30 18 6  o 16.6232  0.125809  276.442      4.18268  273.174      5.85844  279.839      5.97364  16.5212  0.1773    16.7215  0.178622  
1 1 1 30 18 7  o 16.9821  0.13391   288.532      4.54816  289.653      6.19984  287.227      6.69251  17.0115  0.182225  16.9388  0.19755   
1 1 1 30 18 8  o 26.3243  0.193494  693.709      10.1872  688.805      14.3218  698.731      14.4934  26.2171  0.273139  26.4051  0.274444  
1 1 1 30 18 9  f 7.5475   0.0789913 56.9756      1.19237  58.8786      1.74394  55.305       1.63397  7.67173  0.11366   7.43537  0.109878  
1 1 1 30 18 10 o 1.40927  0.230115  1.98947      0.648589 0.206233     0.928323 3.69004      0.90655  0.836512 0.344389  1.9192   0.236179  
1 1 1 30 18 11 o 10.1538  0.0852824 103.127      1.73188  107.807      2.60497  99.4205      2.31849  10.38    0.12548   9.96848  0.116291  
1 1 1 30 18 12 o 18.4688  0.134336  341.362      4.96207  345.379      7.1847   337.699      6.86131  18.5693  0.193457  18.3627  0.186828  
1 1 1 30 18 13 o 9.1425   0.0834654 83.6133      1.52617  82.4189      2.20362  84.7143      2.11571  9.07526  0.121408  9.2011   0.11497   
1 1 1 30 18 14 o 6.67176  0.07648   44.5264      1.02051  44.8553      1.44241  44.1968      1.44403  6.69532  0.107718  6.64596  0.10864   
1 1 1 30 18 15 o 7.38331  0.0756916 54.5321      1.11771  53.4542      1.54929  55.702       1.61406  7.30875  0.105989  7.46073  0.10817   
1 1 1 30 18 16 f 5.14703  0.0792518 26.5033      0.815823 25.1763      1.14996  27.8481      1.15758  5.01531  0.114645  5.27492  0.109725  
1 1 1 30 18 17 o 7.48219  0.080806  56.0125      1.20921  57.3954      1.66436  54.4664      1.7598   7.57227  0.109898  7.37589  0.119294  
1 1 1 30 18 18 o 7.91422  0.0800748 62.6746      1.26746  63.018       1.81917  62.3506      1.76689  7.93326  0.114655  7.89138  0.111951  
1 1 1 30 18 19 o 5.27067  0.0868716 27.8033      0.915743 27.7491      1.31053  27.8549      1.28012  5.2632   0.124499  5.27345  0.121374  
1 1 1 30 18 20 o 4.6846   0.0883198 21.9674      0.827485 21.3298      1.16734  22.6114      1.17317  4.61368  0.126508  4.75049  0.123478  
1 1 1 30 18 21 o 2.81559  0.128092  7.94653      0.721311 9.46653      1.02569  6.4593       1.01457  3.07048  0.167025  2.53406  0.200188  
1 1 1 30 18 22 o 1.33939  0.24712   1.86899      0.637121 1.82479      0.893479 1.91471      0.908766 1.31339  0.338184  1.3447   0.338017  
1 1 1 30 18 23 f 2.64135  0.12754   6.99876      0.673757 8.01702      0.939702 5.92151      0.966537 2.82386  0.166386  2.42408  0.199361  
1 1 1 30 18 24 o 1.54966  0.212865  2.42483      0.659738 3.68808      0.915817 1.06204      0.951211 1.90876  0.239899  1.06282  0.367355  
1 1 1 30 18 25 o 3.18227  0.116997  10.1618      0.744634 10.7101      1.00681  9.49976      1.10636  3.26287  0.154282  3.06965  0.18021   
1 1 1 30 18 26 o 1.66352  0.214407  2.80447      0.71334  2.99425      0.968422 2.57936      1.05472  1.7106   0.283065  1.54981  0.348719  
1 1 1 30 18 27 o 2.83439  0.138293  8.08483      0.783952 10.1829      1.08037  5.75151      1.13933  3.17565  0.170102  2.37537  0.239822  
1 1 1 30 18 28 o 1.90904  0.204801  3.69913      0.781947 2.71359      1.04637  4.9456       1.17676  1.58616  0.339683  2.19556  0.267986  
1 1 1 30 18 29 o 4.76737  0.104558  22.8269      0.99693  23.6479      1.42619  22.0424      1.39411  4.84189  0.147276  4.67414  0.14913   
1 1 1 30 18 30 o 1.62823  0.243734  2.72969      0.793711 1.00139      1.08137  4.74829      1.16866  1.05222  0.388753  2.13988  0.273068  
1 1 1 30 18 31 o 0.525531 0.255668  -1.42684     0.855956 -2.55755     1.14799  -0.0112398   1.28449  0.553576 0.274556  0.889124 0.386833  
1 1 1 30 18 32 o 1.53386  0.285271  2.54005      0.842431 2.245        1.15751  2.87236      1.22841  1.40706  0.395157  1.59127  0.388768  
1 1 1 30 18 33 o 2.1837   0.209145  4.9237       0.913421 5.51012      1.22899  4.20002      1.36527  2.28702  0.268689  1.93151  0.366687  
1 1 1 30 18 34 o 2.98597  0.15882   9.09307      0.948464 8.48441      1.31423  9.75466      1.37018  2.85381  0.230259  3.06348  0.223632  
1 1 1 30 18 35 o 2.01886  0.238544  4.29311      0.963175 6.14897      1.38089  2.53479      1.34412  2.38802  0.289129  1.44632  0.431949  
1 1 1 30 18 36 o 0.676467 0.307669  -0.33555     0.913143 -0.1284      1.23868  -0.582129    1.35143  0.817573 0.366254  0.789675 0.364624  
1 1 1 30 18 37 o 2.12213  0.219854  4.80523      0.933116 5.35102      1.30666  4.23723      1.33299  2.1813   0.299513  1.87025  0.369517  
1 1 1 30 18 38 o 1.83037  0.255909  3.74174      0.936816 3.55449      1.30645  3.93993      1.34407  1.63777  0.401423  1.73498  0.395929  
1 1 1 30 18 39 o 2.81208  0.18967   8.51099      1.06673  10.5689      1.50491  6.4328       1.5123   3.06052  0.245858  2.28447  0.330995  
1 1 1 30 18 40 o 1.02609  0.379946  1.53971      1.03408  0.895266     1.44408  2.21794      1.48144  0.906116 0.401311  1.13536  0.446359  
1 1 1 30 18 41 o 0.703523 0.328326  0.0797105    1.13379  1.16345      1.75791  -0.692214    1.48361  0.883291 0.410904  0.6897   0.335807  
1 1 1 30 18 42 o 0.696285 0.323456  0.224406     1.08444  0.0147559    1.55395  0.423439     1.51409  0.73181  0.35326   0.764742 0.363761  
1 1 1 30 19 0  o 4.88033  0.106163  23.8547      1.03512  23.8547      1.03512  23.8547      1.03512  4.88223  0.0749991 ?        ?         
1 1 1 30 19 1  o 4.09286  0.0760568 16.7539      0.62258  16.2621      0.861802 17.2907      0.900387 4.03206  0.106869  4.15761  0.108282  
1 1 1 30 19 2  o 18.4272  0.131063  339.704      4.83024  339.868      6.68204  339.524      6.99036  18.428   0.181302  18.4179  0.189771  
1 1 1 30 19 3  o 2.68073  0.0973185 7.18804      0.52177  6.96773      0.880836 7.30714      0.647618 2.63871  0.166906  2.70268  0.11981   
1 1 1 30 19 4  o 10.5002  0.090191  110.277      1.89404  109.597      2.76282  110.88       2.60161  10.4665  0.131984  10.5278  0.123559  
1 1 1 30 19 5  o 8.7565   0.0824289 76.6902      1.44358  77.5834      1.96707  75.6478      2.12513  8.80667  0.111681  8.69583  0.122193  
1 1 1 30 19 6  o 9.25675  0.0835882 85.7039      1.54751  85.5527      2.1604   85.8633      2.21774  9.24771  0.116808  9.2644   0.119692  
1 1 1 30 19 7  o 11.0605  0.093986  122.366      2.07906  122.548      2.9338   122.182      2.94672  11.0673  0.132544  11.0507  0.133327  
1 1 1 30 19 8  o 18.6971  0.143864  349.803      5.37968  351.157      7.63678  348.468      7.57957  18.7272  0.203895  18.6555  0.203146  
1 1 1 30 19 9  o 8.1388   0.0863833 66.2563      1.40611  64.6074      1.98216  67.9266      1.99499  8.03585  0.123332  8.23977  0.121058  
1 1 1 30 19 10 o 12.1411  0.0968663 147.458      2.35213  147.941      3.33908  146.982      3.31391  12.1589  0.13731   12.1194  0.136719  
1 1 1 30 19 11 o 2.77036  0.0937434 7.67775      0.519406 9.31161      0.846642 6.69169      0.657723 3.05024  0.138783  2.58594  0.127173  
1 1 1 30 19 12 o 4.37166  0.0818245 19.1174      0.715417 19.0163      0.973962 19.2359      1.05431  4.35948  0.111706  4.38438  0.120235  
1 1 1 30 19 13 f 3.44635  0.0933228 11.8828      0.643247 12.3367      0.928757 11.4644      0.891749 3.51075  0.132273  3.38437  0.131745  
1 1 1 30 19 14 f 3.63772  0.0946187 13.2399      0.688392 13.2219      0.97616  13.2578      0.970929 3.63427  0.134299  3.63922  0.133398  
1 1 1 30 19 15 o 2.14286  0.1415    4.59787      0.606431 5.81235      0.868033 3.43997      0.847577 2.40828  0.180218  1.85149  0.22889   
1 1 1 30 19 16 o 5.54379  0.077217  30.7474      0.85615  29.633       1.19759  31.9124      1.22442  5.4411   0.11005   5.64658  0.108421  
1 1 1 30 19 17 o 6.23931  0.0780308 38.9504      0.973716 37.2344      1.32888  40.9399      1.43085  6.09872  0.108948  6.39481  0.111876  
1 1 1 30 19 18 o 7.03941  0.0824191 49.5893      1.16036  49.1711      1.59161  50.0636      1.6953   7.00742  0.113566  7.07018  0.119891  
1 1 1 30 19 19 o 3.79254  0.0994518 14.4003      0.754351 14.0184      1.094    14.7465      1.04155  3.73934  0.146283  3.8359   0.135764  
1 1 1 30 19 20 o 6.08609  0.0812806 37.0743      0.989362 38.2401      1.38309  35.8526      1.41583  6.1785   0.111927  5.9819   0.118342  
1 1 1 30 19 21 o 3.24028  0.109847  10.5191      0.71187  10.9942      1.00839  10.0471      1.00509  3.30973  0.152338  3.16346  0.158859  
1 1 1 30 19 22 o 5.68409  0.0816904 32.3477      0.928671 31.5102      1.30889  33.1968      1.31783  5.60648  0.11673   5.75484  0.114497  
1 1 1 30 19 23 o 3.80339  0.101092  14.4958      0.768983 14.0971      1.08407  14.8996      1.09098  3.74669  0.14467   3.85219  0.141605  
1 1 1 30 19 24 o 1.96135  0.170956  3.87264      0.670608 3.78718      0.925771 3.96699      0.972737 1.93345  0.239409  1.97812  0.245874  
1 1 1 30 19 25 o 2.0921   0.166528  4.41003      0.696785 5.4356       0.948048 3.20524      1.02755  2.31836  0.204465  1.77026  0.290227  
1 1 1 30 19 26 o 4.13769  0.101289  17.1743      0.838202 16.9172      1.1503   17.4653      1.22391  4.1007   0.140257  4.1654   0.146914  
1 1 1 30 19 27 o 1.75658  0.213305  3.13541      0.749376 3.29149      1.00645  2.94123      1.12259  1.78914  0.281267  1.65003  0.350712  
1 1 1 30 19 28 o 2.09943  0.187063  4.46493      0.785451 4.37863      1.08242  4.56091      1.14152  2.06617  0.26194   2.1069   0.270901  
1 1 1 30 19 29 o 2.10656  0.192168  4.50465      0.809627 5.10803      1.11314  3.82692      1.17973  2.23156  0.24941   1.9191   0.307365  
1 1 1 30 19 30 o 3.87997  0.119268  15.1628      0.925515 15.1242      1.27889  15.2052      1.34108  3.86222  0.165564  3.87002  0.173265  
1 1 1 30 19 31 o 2.43245  0.187109  6.03755      0.910265 4.87063      1.23018  7.44954      1.35321  2.1563   0.285253  2.67995  0.25247   
1 1 1 30 19 32 o 2.45644  0.183052  6.16616      0.899316 7.01754      1.2368   5.21103      1.31     2.60125  0.237733  2.22022  0.295015  
1 1 1 30 19 33 o 0.762555 0.323396  0.145138     0.857073 0.898453     1.19512  -0.652505    1.22979  1.02952  0.4018    0.764861 0.351011  
1 1 1 30 19 34 o 1.7448   0.260929  3.22162      0.910539 3.03596      1.2859   3.40833      1.2895   1.60646  0.401038  1.71338  0.385622  
1 1 1 30 19 35 o 1.71345  0.274845  3.16351      0.941865 3.08676      1.29807  3.24884      1.36873  1.59903  0.405208  1.63334  0.417397  
1 1 1 30 19 36 o 0.859146 0.343739  0.596389     0.893476 -0.640289    1.2639   1.83175      1.26323  0.753747 0.349783  1.22287  0.423275  
1 1 1 30 19 37 o 1.79661  0.265774  3.56772      0.954987 3.38226      1.28638  3.79544      1.42541  1.63132  0.397392  1.71008  0.419397  
1 1 1 30 19 38 o 0.615842 0.289072  -0.602364    0.911263 -0.00588931  1.26687  -1.24185     1.31175  0.805437 0.365127  0.677096 0.326285  
1 1 1 30 19 39 o 1.27009  0.375552  2.2368       1.01961  2.02206      1.45714  2.44282      1.42722  1.14184  0.444068  1.23979  0.447818  
1 1 1 30 19 40 o 0.998712 0.378729  1.45796      1.04181  1.99529      1.4894   0.943196     1.45779  1.08283  0.439401  0.908545 0.402694  
1 1 1 30 19 41 o 0.625461 0.300514  -0.476159    1.09257  -2.73338     1.6085   1.45734      1.48869  0.585341 0.295207  0.901458 0.402734  
1 1 1 30 19 42 o 1.05204  0.385365  2.16159      1.06013  2.78526      1.48358  1.51087      1.51541  1.04609  0.433471  0.852181 0.390482  
1 1 1 30 20 0  o 17.1932  0.182889  295.837      6.2873   295.837      6.2873   295.837      6.2873   17.1966  0.129281  ?        ?         
1 1 1 30 20 1  o 3.68797  0.0830401 13.6036      0.612499 12.5424      0.878383 14.6079      0.854518 3.5408   0.124037  3.82139  0.111807  
1 1 1 30 20 2  o 5.1139   0.0745466 26.1558      0.762447 25.1539      1.16289  26.9113      1.00978  5.01446  0.115953  5.18695  0.0973383 
1 1 1 30 20 3  o 11.0346  0.0906347 121.789      2.00023  123.291      2.82486  120.28       2.83268  11.1012  0.127232  10.9647  0.129172  
1 1 1 30 20 4  o 9.34594  0.0844131 87.364       1.57784  85.2899      2.12795  89.8968      2.35158  9.23354  0.115229  9.47935  0.124037  
1 1 1 30 20 5  o 6.70685  0.0750812 44.9891      1.00712  47.9174      1.46284  42.3504      1.38861  6.92112  0.105679  6.50665  0.106707  
1 1 1 30 20 6  o 11.6096  0.100136  134.823      2.32508  134.289      3.39454  135.295      3.1912   11.5846  0.146511  11.6283  0.137217  
1 1 1 30 20 7  o 8.35064  0.0841487 69.7486      1.40539  69.1964      1.99734  70.2901      1.97785  8.31655  0.120082  8.38208  0.117981  
1 1 1 30 20 8  o 4.24648  0.0866105 18.0371      0.735579 18.6947      1.08829  17.484       0.998084 4.32258  0.125885  4.18038  0.119377  
1 1 1 30 20 9  o 7.43735  0.0791012 55.3272      1.17661  57.2293      1.66064  53.4097      1.66733  7.56329  0.109783  7.30641  0.114101  
1 1 1 30 20 10 o 6.18553  0.0780929 38.2706      0.966092 36.3733      1.33846  40.3343      1.39587  6.02944  0.110994  6.34928  0.109923  
1 1 1 30 20 11 o 3.6131   0.0993273 13.0605      0.71776  12.3582      0.997429 13.8148      1.03367  3.51376  0.141932  3.71514  0.139116  
1 1 1 30 20 12 o 5.17086  0.0808281 26.7469      0.835902 27.329       1.28009  26.3141      1.10371  5.22569  0.122481  5.12819  0.107612  
1 1 1 30 20 13 o 11.3964  0.0923138 129.941      2.10409  130.14       2.95475  129.735      2.99695  11.4024  0.129567  11.3845  0.131624  
1 1 1 30 20 14 o 2.98161  0.110892  8.89692      0.661273 8.35603      0.945941 9.41388      0.92478  2.88819  0.16376   3.06596  0.150814  
1 1 1 30 20 15 o 3.73623  0.0881281 13.9672      0.658534 13.1646      0.922539 14.8011      0.940331 3.62617  0.127206  3.84512  0.122276  
1 1 1 30 20 16 o 13.0131  0.101503  169.489      2.64175  167.803      3.66382  171.314      3.81263  12.9429  0.141538  13.0769  0.145777  
1 1 1 30 20 17 o 3.3447   0.101041  11.1988      0.675905 11.3282      0.951434 11.0669      0.960378 3.36231  0.141485  3.32316  0.144498  
1 1 1 30 20 18 o 4.28392  0.0908719 18.369       0.778575 18.9343      1.14868  17.8886      1.05893  4.34707  0.132121  4.22575  0.125295  
1 1 1 30 20 19 o 8.9479   0.0859842 80.1417      1.53875  80.5117      2.21202  79.7948      2.14192  8.96396  0.123384  8.92444  0.120003  
1 1 1 30 20 20 o 1.45887  0.232172  2.14507      0.677417 1.90074      0.922379 2.43119      0.998121 1.3415   0.342544  1.51724  0.337734  
1 1 1 30 20 21 o 4.90696  0.0859251 24.108       0.843262 24.2949      1.19979  23.9257      1.18545  4.92282  0.12186   4.88532  0.121327  
1 1 1 30 20 22 o 4.19056  0.0923873 17.5896      0.774309 17.7903      1.12698  17.4102      1.06567  4.21061  0.133826  4.166    0.127901  
1 1 1 30 20 23 o 3.98904  0.0957374 15.9433      0.7638   16.0432      1.05745  15.8343      1.10443  3.99806  0.132246  3.97117  0.139056  
1 1 1 30 20 24 o 2.61035  0.132437  6.84334      0.691413 7.59118      0.969682 6.0699       0.986136 2.74471  0.176645  2.45157  0.201123  
1 1 1 30 20 25 o 1.51953  0.219451  2.34083      0.666925 2.28228      0.904623 2.41054      0.987116 1.46258  0.318134  1.50022  0.337215  
1 1 1 30 20 26 o 3.55862  0.116429  12.719       0.828654 11.8532      1.12113  13.7614      1.23024  3.42795  0.163528  3.69299  0.166564  
1 1 1 30 20 27 o 2.61246  0.147881  6.87858      0.772663 7.64276      1.0609   6.01536      1.12756  2.74606  0.193168  2.42904  0.2321    
1 1 1 30 20 28 o 0.799508 0.318469  0.375869     0.763326 0.707912     1.06629  0.026837     1.09323  0.980645 0.380181  0.842039 0.361421  
1 1 1 30 20 29 o 2.4202   0.163193  5.9298       0.789923 5.87869      1.07505  5.98978      1.16455  2.39682  0.224266  2.41507  0.2411    
1 1 1 30 20 30 f 3.14439  0.136265  9.98546      0.856944 10.6313      1.1864   9.28089      1.23912  3.23147  0.18357   3.01244  0.205668  
1 1 1 30 20 31 o 0.814822 0.338244  0.26795      0.905865 -0.294664    1.26754  0.855268     1.29507  0.836452 0.37271   1.05445  0.416452  
1 1 1 30 20 32 o 2.6541   0.170537  7.1859       0.905245 7.58739      1.25557  6.75127      1.30636  2.70463  0.232115  2.54095  0.257061  
1 1 1 30 20 33 o 1.42554  0.323859  2.26929      0.902579 1.55236      1.2237   3.12466      1.33665  1.19528  0.416322  1.63623  0.40912   
1 1 1 30 20 34 o 1.60584  0.3017    2.85525      0.933301 1.92066      1.32484  3.776        1.31499  1.28629  0.433933  1.8088   0.375992  
1 1 1 30 20 35 o 0.757001 0.324431  0.149973     0.878587 0.118676     1.27384  0.178369     1.21338  0.871604 0.382173  0.864785 0.376105  
1 1 1 30 20 36 o 0.935098 0.347418  0.902786     0.866048 0.854843     1.22575  0.950578     1.22381  0.983291 0.398779  1.00374  0.402002  
1 1 1 30 20 37 o 0.869946 0.348078  0.690446     0.916242 0.712117     1.27158  0.667044     1.32137  0.939765 0.395994  0.940116 0.400223  
1 1 1 30 20 38 o 0.533312 0.259892  -1.26079     0.895845 -3.04112     1.26853  0.510516     1.26531  0.534917 0.269148  0.881045 0.383636  
1 1 1 30 20 39 o 0.865998 0.358569  0.823967     1.01394  0.721222     1.40803  0.934634     1.46131  0.893515 0.395931  0.93074  0.408708  
1 1 1 30 20 40 o 0.6133   0.293325  -0.651658    1.01143  -0.879618    1.40006  -0.402833    1.46274  0.687948 0.332685  0.743506 0.354916  
1 1 1 30 20 41 o 0.842312 0.358049  1.12365      1.05476  0.0842237    1.49484  2.15423      1.48848  0.734838 0.352687  0.986764 0.422571  
1 1 1 30 20 42 o 0.689617 0.321956  0.513635     1.0915   0.203691     1.61524  0.77411      1.48074  0.69295  0.340283  0.731197 0.350959  
1 1 1 30 21 0  o 3.6326   0.134203  13.2531      0.971988 13.2531      0.971988 13.2531      0.971988 3.63655  0.0946436 ?        ?         
1 1 1 30 21 1  o 11.6272  0.0912884 135.223      2.12285  137.586      2.97491  132.772      3.03018  11.727   0.12684   11.5198  0.13152   
1 1 1 30 21 2  o 11.5326  0.092767  133.034      2.13969  132.491      2.92497  133.66       3.13824  11.5078  0.127087  11.558   0.13576   
1 1 1 30 21 3  o 11.1328  0.0874458 123.968      1.94704  122.738      2.75988  125.186      2.74722  11.0762  0.124586  11.1862  0.122795  
1 1 1 30 21 4  o 1.94876  0.148807  3.80021      0.579978 4.07028      0.804825 3.50845      0.836518 2.01628  0.199582  1.87167  0.223468  
1 1 1 30 21 5  o 8.77411  0.0820317 77.0012      1.43951  75.7875      1.96156  78.4176      2.11911  8.70388  0.112683  8.85339  0.119678  
1 1 1 30 21 6  f 3.26577  0.105058  10.6691      0.686191 10.2298      0.949775 11.1488      0.992475 3.19725  0.14853   3.33777  0.148673  
1 1 1 30 21 7  o 13.8228  0.115484  191.16       3.19263  191.445      4.58148  190.89       4.45145  13.8297  0.16564   13.81    0.161168  
1 1 1 30 21 8  o 13.1087  0.103201  171.91       2.70567  175.176      3.9336   168.977      3.7275   13.2297  0.148665  12.9939  0.143433  
1 1 1 30 21 9  o 4.06301  0.0842992 16.5131      0.685017 16.8117      0.962276 16.2063      0.975377 4.09897  0.11738   4.02442  0.121182  
1 1 1 30 21 10 o 11.8561  0.100299  140.635      2.37831  146.047      3.47145  135.847      3.26492  12.0791  0.143696  11.6499  0.140126  
1 1 1 30 21 11 o 15.8594  0.124209  251.722      3.93978  251.988      5.50205  251.442      5.64403  15.8619  0.173437  15.844   0.178113  
1 1 1 30 21 12 o 11.4287  0.0929223 130.678      2.12395  137.287      3.18955  125.413      2.847    11.7108  0.13618   11.1937  0.12717   
1 1 1 30 21 13 o 5.2905   0.0784    28.0001      0.82955  28.3239      1.20795  27.711       1.14121  5.31986  0.113532  5.26218  0.108435  
1 1 1 30 21 14 o 5.89813  0.0730749 34.8009      0.86201  35.6388      1.21998  33.9656      1.21816  5.96762  0.102216  5.82575  0.10455   
1 1 1 30 21 15 o 1.34363  0.20797   1.81158      0.558868 1.38148      0.797026 2.22758      0.783857 1.15583  0.328969  1.4642   0.277737  
1 1 1 30 21 16 o 3.52768  0.0914594 12.4546      0.645279 11.8335      0.895957 13.1239      0.930127 3.43719  0.130333  3.61983  0.128477  
1 1 1 30 21 17 f 4.17722  0.0895081 17.4644      0.74779  15.9498      1.04343  19.0638      1.07223  3.99001  0.130755  4.36263  0.122888  
1 1 1 30 21 18 o 2.12485  0.147367  4.52693      0.626263 3.37857      0.889002 5.65824      0.882375 1.8315   0.242697  2.37369  0.185865  
1 1 1 30 21 19 f 6.05989  0.0842661 36.7588      1.02129  37.6814      1.47388  35.9065      1.41647  6.13231  0.120173  5.98633  0.118309  
1 1 1 30 21 20 o 3.86921  0.0960783 14.9924      0.743494 14.3019      1.05499  15.6737      1.04796  3.77597  0.139698  3.95353  0.132535  
1 1 1 30 21 21 o 2.82246  0.12008   7.98699      0.677839 7.39508      0.933214 8.64801      0.986197 2.71213  0.172044  2.93326  0.168106  
1 1 1 30 21 22 o 3.03309  0.117144  9.22521      0.71062  8.41246      1.0109   10.0192      0.999144 2.89153  0.174803  3.15735  0.158225  
1 1 1 30 21 23 o 2.25502  0.145752  5.10958      0.65735  4.66419      0.931291 5.55181      0.927984 2.14833  0.216748  2.34591  0.197788  
1 1 1 30 21 24 o 1.33811  0.259016  1.88131      0.66844  2.47555      0.93847  1.26941      0.952316 1.52599  0.317957  1.12387  0.367902  
1 1 1 30 21 25 o 3.78664  0.107165  14.3882      0.811589 15.0184      1.16403  13.792       1.13215  3.86224  0.150694  3.7008   0.152961  
1 1 1 30 21 26 o 1.01137  0.317964  1.05371      0.715911 1.64743      0.977752 0.367539     1.05113  1.24298  0.367835  0.900032 0.367812  
1 1 1 30 21 27 o 1.78452  0.213421  3.23665      0.761711 3.33372      1.05125  3.12936      1.10521  1.79817  0.292313  1.70798  0.335501  
1 1 1 30 21 28 o 3.77443  0.117186  14.3247      0.884619 13.6082      1.25327  15.0361      1.24882  3.66737  0.170868  3.85728  0.161878  
1 1 1 30 21 29 o 1.52157  0.250409  2.38786      0.762029 2.76969      1.06283  1.98394      1.09315  1.59026  0.343906  1.34058  0.386472  
1 1 1 30 21 30 o 2.1679   0.205792  4.81327      0.892275 4.38225      1.23167  5.28932      1.29441  2.04085  0.301753  2.2471   0.288017  
1 1 1 30 21 31 o 2.1786   0.213832  4.88176      0.931708 5.47967      1.28861  4.22679      1.34871  2.28419  0.282071  1.95374  0.358549  
1 1 1 30 21 32 o 1.81711  0.241385  3.4447       0.877247 4.24801      1.19336  2.50025      1.29396  1.99621  0.298908  1.46377  0.419981  
1 1 1 30 21 33 o 1.47531  0.326153  2.43426      0.936684 1.44666      1.26907  3.61611      1.38828  1.17164  0.42237   1.76511  0.402102  
1 1 1 30 21 34 o 0.803093 0.331917  0.336448     0.866333 0.551802     1.25116  0.138099     1.20075  0.956336 0.397285  0.866321 0.375415  
1 1 1 30 21 35 o 1.74101  0.262122  3.27563      0.912712 3.05965      1.33165  3.46698      1.25343  1.56627  0.417419  1.69999  0.378514  
1 1 1 30 21 36 o 1.089    0.354919  1.40418      0.886289 1.66749      1.28452  1.16492      1.22444  1.16961  0.424606  1.04506  0.406938  
1 1 1 30 21 37 o 0.9915   0.362223  1.1589       0.93608  2.85743      1.35804  -0.378571    1.29205  1.43441  0.435356  0.769872 0.355878  
1 1 1 30 21 38 o 1.53432  0.310222  2.8597       0.918667 2.71144      1.31206  3.00228      1.2867   1.36965  0.430422  1.45891  0.41887   
1 1 1 30 21 39 o 0.860977 0.356767  0.849025     1.005    0.213593     1.44347  1.44683      1.40008  0.819805 0.377889  0.998123 0.417805  
1 1 1 30 21 40 o 1.52301  0.35289   3.35883      1.05473  5.34475      1.52886  1.55528      1.45697  1.80332  0.429461  0.955516 0.413793  
1 1 1 30 21 41 o 0.931212 0.371892  1.4961       1.04336  2.25248      1.47282  0.734099     1.47827  1.01737  0.427315  0.804317 0.375185  
1 1 1 30 22 0  o 4.39466  0.111948  19.3544      0.982508 19.3544      0.982508 19.3544      0.982508 4.39702  0.0790587 ?        ?         
1 1 1 30 22 1  o 4.64944  0.0719465 21.6208      0.669022 21.9657      0.934358 21.2579      0.958381 4.68604  0.099696  4.60986  0.103949  
1 1 1 30 22 2  o 6.82311  0.0710915 46.5622      0.97013  45.3376      1.27077  48.2729      1.50197  6.73238  0.0943775 6.94659  0.108108  
1 1 1 30 22 3  o 15.5711  0.116092  242.563      3.61537  245.21       5.15955  240.01       5.0675   15.6524  0.164817  15.4856  0.163619  
1 1 1 30 22 4  o 21.1585  0.161266  448.066      6.8243   441.231      9.49669  455.364      9.81313  20.9877  0.226244  21.3206  0.230133  
1 1 1 30 22 5  o 8.52109  0.0885554 72.6288      1.50918  73.0745      2.21396  72.2419      2.06266  8.54586  0.129534  8.49733  0.121371  
1 1 1 30 22 6  o 14.6112  0.119138  213.599      3.4815   214.343      4.94469  212.867      4.90274  14.6326  0.168961  14.5822  0.168107  
1 1 1 30 22 7  o 10.2756  0.0891433 105.621      1.83199  104.434      2.53705  106.914      2.64817  10.2161  0.12417   10.3365  0.128099  
1 1 1 30 22 8  o 8.52619  0.0781577 72.7156      1.33277  74.8045      1.90317  70.7053      1.86701  8.64661  0.110053  8.40631  0.111048  
1 1 1 30 22 9  o 1.7961   0.167035  3.23027      0.600022 2.4476       0.83863  4.05114      0.85885  1.53717  0.28342   2.01055  0.213586  
1 1 1 30 22 10 o 18.0033  0.142078  324.459      5.11576  331.073      7.47816  318.641      7.01372  18.1755  0.20572   17.8327  0.196653  
1 1 1 30 22 11 o 9.13737  0.0932415 83.5324      1.70396  83.2372      2.62143  83.7484      2.24229  9.11814  0.143748  9.14755  0.122562  
1 1 1 30 22 12 o 4.17837  0.0815262 17.4659      0.681293 18.4672      1.02082  16.6617      0.914851 4.29547  0.118826  4.08029  0.112106  
1 1 1 30 22 13 o 7.55892  0.0746603 57.1591      1.1287   58.4638      1.63595  55.9738      1.55926  7.64313  0.107021  7.47875  0.104246  
1 1 1 30 22 14 o 7.8794   0.0726795 62.1103      1.14534  61.7382      1.61249  62.4891      1.62713  7.85413  0.102652  7.90173  0.10296   
1 1 1 30 22 15 f 5.51121  0.0723568 30.3879      0.797546 31.1614      1.13791  29.6411      1.11815  5.57959  0.101971  5.44174  0.102738  
1 1 1 30 22 16 o 4.06386  0.0870917 16.5283      0.707857 16.4351      0.990224 16.6256      1.01226  4.05084  0.122225  4.07414  0.12423   
1 1 1 30 22 17 o 1.78225  0.172053  3.1873       0.61328  3.88246      0.877589 2.52378      0.857383 1.9647   0.22334   1.55706  0.28601   
1 1 1 30 22 18 o 8.4616   0.0820494 71.6633      1.38854  70.9348      1.90961  72.4806      2.02265  8.41502  0.113464  8.5055   0.118902  
1 1 1 30 22 19 o 5.55113  0.082954  30.8465      0.920977 32.548       1.36148  29.4111      1.25051  5.69899  0.119449  5.4178   0.115407  
1 1 1 30 22 20 o 5.70285  0.0822058 32.5598      0.937616 32.4079      1.35434  32.6996      1.29935  5.68591  0.119096  5.71205  0.113737  
1 1 1 30 22 21 o 2.8836   0.119661  8.33814      0.690107 8.99989      0.953958 7.61161      0.999557 2.99265  0.159383  2.75016  0.181727  
1 1 1 30 22 22 o 2.94687  0.115442  8.70853      0.680386 8.9273       0.965199 8.49244      0.959252 2.97967  0.161964  2.90589  0.165053  
1 1 1 30 22 23 o 2.5009   0.13683   6.28301      0.684397 5.77636      0.95733  6.81263      0.978792 2.39178  0.200129  2.59891  0.188308  
1 1 1 30 22 24 o 3.24446  0.118363  10.5684      0.768046 9.83311      1.06659  11.3603      1.1069   3.12299  0.170764  3.35769  0.16483   
1 1 1 30 22 25 o 3.03828  0.124906  9.27671      0.758996 9.14995      1.08557  9.39792      1.0616   3.00929  0.18037   3.05089  0.173982  
1 1 1 30 22 26 o 1.79027  0.211466  3.25675      0.75716  3.58613      1.04831  2.89753      1.09477  1.86721  0.280717  1.6387   0.344895  
1 1 1 30 22 27 o 3.72465  0.115905  13.9444      0.863413 15.3419      1.23094  12.591       1.21139  3.89824  0.157884  3.52846  0.17166   
1 1 1 30 22 28 o 1.86723  0.204612  3.54929      0.764114 3.4957       1.07572  3.60386      1.08558  1.8359   0.29297   1.8645   0.291119  
1 1 1 30 22 29 o 2.4149   0.163768  5.91168      0.790967 6.79409      1.09596  4.95239      1.1427   2.57689  0.212651  2.18753  0.261184  
1 1 1 30 22 30 o 0.753821 0.318568  0.127676     0.826905 1.30509      1.16286  -1.0767      1.1761   1.13924  0.404941  0.698997 0.328158  
1 1 1 30 22 31 o 1.2338   0.35495   1.69528      0.923048 1.87355      1.23769  1.47188      1.38556  1.29494  0.419312  1.2047   0.440632  
1 1 1 30 22 32 o 2.63368  0.178429  7.10255      0.93985  6.0746       1.29619  8.24215      1.36476  2.39967  0.270076  2.8092   0.242909  
1 1 1 30 22 33 o 2.03359  0.23949   4.33718      0.974047 3.54229      1.34816  5.20528      1.40887  1.74207  0.395834  2.18736  0.322049  
1 1 1 30 22 34 o 2.73238  0.174272  7.69593      0.952355 7.55286      1.38217  7.82526      1.31408  2.65931  0.259874  2.71855  0.241687  
1 1 1 30 22 35 o 3.88573  0.134241  15.4332      1.04325  16.9838      1.56923  14.205       1.39656  4.02861  0.194761  3.68885  0.189295  
1 1 1 30 22 36 o 1.51289  0.319917  2.69695      0.938174 2.28296      1.30678  3.13728      1.34772  1.31799  0.430966  1.55007  0.423036  
1 1 1 30 22 37 o 0.760077 0.328283  0.259375     0.912416 -0.360569    1.28769  0.884468     1.29303  0.765245 0.354327  0.956861 0.401072  
1 1 1 30 22 38 o 0.563958 0.272385  -1.0101      0.927385 -1.63174     1.3171   -0.398888    1.30601  0.632824 0.309754  0.745181 0.349111  
1 1 1 30 22 39 o 0.870893 0.35928   0.91116      1.01239  1.33954      1.43     0.480689     1.43348  0.972959 0.415341  0.846661 0.385186  
1 1 1 30 22 40 o 0.59491  0.286949  -0.641274    1.02039  0.253773     1.48898  -1.43382     1.40112  0.770608 0.363843  0.61942  0.306263  
1 1 1 30 22 41 o 0.591616 0.285391  -0.528751    1.01     -1.95541     1.45345  0.803477     1.40452  0.583982 0.291991  0.795415 0.368969  
1 1 1 30 23 0  o 7.34933  0.0968827 54.0495      1.42349  54.0495      1.42349  54.0495      1.42349  7.35058  0.0684813 ?        ?         
1 1 1 30 23 1  o 9.74272  0.0792173 94.9411      1.54358  92.9733      2.13128  97.1121      2.23858  9.64022  0.110541  9.85234  0.113607  
1 1 1 30 23 2  o 14.1853  0.104271  201.299      2.95823  199.558      4.24512  202.943      4.12461  14.1209  0.150314  14.2405  0.14482   
1 1 1 30 23 3  o 10.6086  0.0878025 112.573      1.86292  111.778      2.52166  113.529      2.76414  10.5698  0.119287  10.6517  0.129751  
1 1 1 30 23 4  o 11.9663  0.105944  143.253      2.53551  142.589      3.51323  143.975      3.66296  11.9361  0.147168  11.9936  0.152705  
1 1 1 30 23 5  o 9.44479  0.0853325 89.2302      1.6119   90.4344      2.30818  88.084       2.25199  9.50686  0.121395  9.38256  0.120009  
1 1 1 30 23 6  o 21.278   0.160386  453.259      6.8254   453.809      9.78467  452.738      9.52568  21.2781  0.229923  21.2542  0.224089  
1 1 1 30 23 7  o 7.94836  0.0806829 63.1952      1.28259  61.8579      1.73864  64.7919      1.89977  7.86276  0.110562  8.04675  0.118046  
1 1 1 30 23 8  o 13.3391  0.110506  178.037      2.94809  179.191      4.24594  176.963      4.09652  13.378   0.158692  13.295   0.154063  
1 1 1 30 23 9  o 8.19508  0.088876  67.1873      1.45669  65.8504      2.03548  68.5908      2.08558  8.11147  0.125469  8.2785   0.125964  
1 1 1 30 23 10 o 6.22807  0.0799002 38.8029      0.995247 36.4823      1.35172  41.5504      1.47079  6.03791  0.111936  6.44358  0.114129  
1 1 1 30 23 11 o 17.2265  0.140966  297.114      4.85669  300.602      6.84672  293.582      6.89027  17.3169  0.197689  17.1127  0.201321  
1 1 1 30 23 12 o 2.77858  0.118978  7.72793      0.661179 7.96246      0.918864 7.47612      0.952119 2.81921  0.162965  2.7314   0.174291  
1 1 1 30 23 13 o 1.03777  0.248994  1.12567      0.510961 0.0767314    0.725429 2.15845      0.719821 0.71654  0.300379  1.44353  0.258696  
1 1 1 30 23 14 o 4.43793  0.0755976 19.7051      0.670993 20.0528      0.954677 19.3657      0.94328  4.47579  0.106649  4.39841  0.10723   
1 1 1 30 23 15 o 2.85819  0.103497  8.17831      0.591624 9.07314      0.852432 7.34668      0.821777 3.00906  0.141644  2.70727  0.151772  
1 1 1 30 23 16 o 2.26833  0.131063  5.15525      0.594587 5.38302      0.855025 4.94197      0.827402 2.31569  0.184616  2.21871  0.18646   
1 1 1 30 23 17 o 7.55493  0.079588  57.123       1.20256  56.085       1.67885  58.2168      1.72338  7.48299  0.112178  7.62378  0.113027  
1 1 1 30 23 18 o 5.45541  0.0791336 29.7881      0.863412 28.6319      1.18164  31.1126      1.26468  5.34618  0.110513  5.57271  0.113471  
1 1 1 30 23 19 o 3.00867  0.110308  9.06969      0.663759 8.62317      0.957914 9.4821       0.920591 2.93021  0.163455  3.07374  0.149751  
1 1 1 30 23 20 o 3.76308  0.0940242 14.1836      0.70764  14.729       1.02129  13.68        0.981406 3.8316   0.133272  3.69268  0.132885  
1 1 1 30 23 21 o 4.62066  0.0909882 21.3865      0.840851 21.4485      1.15889  21.3176      1.2219   4.62391  0.125315  4.6089   0.132559  
1 1 1 30 23 22 o 3.5021   0.101973  12.2936      0.714243 13.2954      1.03152  11.371       0.989944 3.63804  0.141769  3.36388  0.147143  
1 1 1 30 23 23 o 3.34152  0.106699  11.1995      0.713075 11.0241      1.00114  11.3801      1.0159   3.31029  0.151216  3.36334  0.151026  
1 1 1 30 23 24 o 1.98367  0.175048  3.97094      0.694477 4.46917      0.991044 3.49023      0.97347  2.09673  0.236331  1.84929  0.2632    
1 1 1 30 23 25 o 2.33061  0.153452  5.47493      0.715271 4.48053      1.01149  6.46955      1.0116   2.09599  0.241291  2.5263   0.200214  
1 1 1 30 23 26 o 5.86237  0.0953218 34.479       1.11762  35.0628      1.52835  33.8081      1.6385   5.90354  0.129444  5.79358  0.141407  
1 1 1 30 23 27 o 4.14887  0.106611  17.291       0.884629 17.2779      1.22996  17.3051      1.27327  4.13843  0.148603  4.14041  0.153761  
1 1 1 30 23 28 o 3.1444   0.134902  9.97648      0.848373 10.3132      1.19557  9.63503      1.20403  3.18393  0.187751  3.07519  0.195766  
1 1 1 30 23 29 o 1.36297  0.29328   2.01384      0.776557 1.04368      1.06084  3.13387      1.13984  1.05517  0.385595  1.68733  0.349543  
1 1 1 30 23 30 o 3.02806  0.154169  9.30165      0.933669 9.7329       1.28624  8.82133      1.35746  3.07894  0.208877  2.92224  0.232263  
1 1 1 30 23 31 o 0.745457 0.31884   0.0774664    0.845566 -0.380453    1.21218  0.511464     1.18009  0.799123 0.359975  0.946067 0.388689  
1 1 1 30 23 32 o 2.49554  0.182592  6.38623      0.911332 5.72221      1.23893  7.1691       1.34526  2.32999  0.265866  2.61214  0.257502  
1 1 1 30 23 33 o 1.04182  0.365301  1.14733      0.943469 0.949653     1.29718  1.36936      1.37473  1.05036  0.416172  1.15526  0.435945  
1 1 1 30 23 34 o 0.680215 0.307682  -0.288352    0.894719 -0.00818207  1.31175  -0.532094    1.2235   0.862294 0.382118  0.761288 0.349682  
1 1 1 30 23 35 o 1.40021  0.339965  2.32201      0.94385  1.86554      1.40993  2.69269      1.27054  1.22907  0.444984  1.45881  0.415397  
1 1 1 30 23 36 o 0.786765 0.332147  0.3501       0.897371 -0.524223    1.24396  1.29879      1.29578  0.746183 0.346556  1.06339  0.417647  
1 1 1 30 23 37 o 2.71523  0.179348  7.82118      0.973942 8.08838      1.39359  7.56607      1.36169  2.67879  0.260115  2.58745  0.263133  
1 1 1 30 23 38 o 0.660462 0.307892  -0.349069    0.993612 -0.506803    1.39436  -0.186342    1.41626  0.744294 0.351685  0.782841 0.365967  
1 1 1 30 23 39 o 1.90722  0.282382  4.46668      1.07713  4.66378      1.5642   4.28893      1.48544  1.68238  0.454235  1.62407  0.44452   
1 1 1 30 23 40 o 0.603185 0.288766  -0.430968    0.986239 -1.01463     1.39319  0.155325     1.39632  0.638232 0.314253  0.737754 0.350166  
1 1 1 30 23 41 o 0.626406 0.298902  -0.0987577   1.03487  -1.14006     1.51792  0.805594     1.41458  0.620448 0.308851  0.760144 0.357649  
1 1 1 30 24 0  o 7.08563  0.0989809 50.2453      1.40207  50.2453      1.40207  50.2453      1.40207  7.08701  0.069961  ?        ?         
1 1 1 30 24 1  f 7.23501  0.0710845 52.3559      1.02859  52.1878      1.4405   52.5308      1.46922  7.22266  0.0997212 7.2463   0.101377  
1 1 1 30 24 2  o 6.8631   0.0715905 47.1121      0.982666 48.3714      1.33653  45.6303      1.44977  6.95363  0.0961029 6.75341  0.107336  
1 1 1 30 24 3  o 4.87391  0.0714235 23.7601      0.696223 24.4448      1.04206  23.208       0.93572  4.94299  0.105408  4.8165   0.097137  
1 1 1 30 24 4  f 10.5617  0.094084  111.594      1.98738  111.337      2.86581  111.832      2.75844  10.5473  0.135855  10.5711  0.130471  
1 1 1 30 24 5  o 6.20377  0.0794629 38.4978      0.985939 38.785       1.43764  38.2429      1.35471  6.22584  0.115457  6.18237  0.109563  
1 1 1 30 24 6  o 4.8113   0.0825657 23.1562      0.794497 22.6374      1.07819  23.7727      1.17526  4.7564   0.113341  4.87402  0.120563  
1 1 1 30 24 7  o 4.45404  0.0993092 19.8484      0.884654 19.2181      1.23509  20.5125      1.26773  4.38164  0.140939  4.52682  0.140024  
1 1 1 30 24 8  o 4.45612  0.102385  19.8683      0.91248  19.4258      1.3105   20.2848      1.27128  4.40484  0.148756  4.50144  0.141208  
1 1 1 30 24 9  o 5.83021  0.0854743 34.0057      0.996666 36.1903      1.49428  32.2551      1.33768  6.01315  0.124251  5.67707  0.117815  
1 1 1 30 24 10 o 16.5988  0.129508  275.809      4.29936  275.497      5.9874   276.141      6.17748  16.5811  0.180549  16.5994  0.186075  
1 1 1 30 24 11 o 2.20349  0.141941  4.86202      0.625532 4.87981      0.854899 4.84153      0.91771  2.20618  0.193751  2.19705  0.208851  
1 1 1 30 24 12 o 3.39088  0.0987266 11.5066      0.669541 12.2499      0.933125 10.7177      0.961249 3.49761  0.133395  3.2711   0.146931  
1 1 1 30 24 13 o 7.09173  0.0721949 50.3153      1.02397  52.4979      1.46896  48.2523      1.42814  7.24231  0.101415  6.9432   0.102844  
1 1 1 30 24 14 o 3.05823  0.0927884 9.36098      0.567535 9.87165      0.824321 8.90077      0.78254  3.13918  0.131296  2.98081  0.131263  
1 1 1 30 24 15 o 6.60413  0.073319  43.6404      0.968416 46.0682      1.4065   41.4521      1.33536  6.78333  0.103673  6.43451  0.103766  
1 1 1 30 24 16 o 4.34354  0.0831504 18.8824      0.722335 19.2101      1.011    18.5406      1.0324   4.37935  0.115428  4.30207  0.119989  
1 1 1 30 24 17 o 6.67466  0.0770846 44.5879      1.02903  45.2576      1.47471  43.9524      1.43657  6.72175  0.109697  6.62424  0.108433  
1 1 1 30 24 18 o 8.08815  0.0784227 65.4796      1.26859  62.8263      1.76991  68.2827      1.81922  7.91868  0.111755  8.2556   0.110181  
1 1 1 30 24 19 o 6.21184  0.0787904 38.6288      0.978867 38.5941      1.39201  38.6627      1.37677  6.20556  0.112158  6.21124  0.110829  
1 1 1 30 24 20 o 1.19638  0.272827  1.50902      0.638571 2.61168      0.919184 0.480409     0.887786 1.57695  0.302224  0.880424 0.345727  
1 1 1 30 24 21 o 2.28905  0.139988  5.26167      0.640881 5.15437      0.920058 5.3628       0.893223 2.26043  0.203514  2.30663  0.193621  
1 1 1 30 24 22 o 3.32455  0.106999  11.0837      0.711447 11.1061      0.995271 11.0603      1.01737  3.32347  0.149733  3.31616  0.153396  
1 1 1 30 24 23 o 1.88659  0.17445   3.58993      0.658231 4.14536      0.922605 3.01411      0.939381 2.02126  0.228225  1.71815  0.273369  
1 1 1 30 24 24 o 0.610909 0.269855  -0.181392    0.647191 0.277356     0.919984 -0.63085     0.91062  0.835677 0.343238  0.65772  0.301928  
1 1 1 30 24 25 o 1.26142  0.287733  1.70079      0.710104 2.62089      1.00019  0.76564      1.00834  1.56062  0.330552  0.98237  0.372577  
1 1 1 30 24 26 o 3.10171  0.133246  9.68489      0.826577 9.65164      1.15859  9.71935      1.17961  3.08621  0.187705  3.09641  0.19048   
1 1 1 30 24 27 o 4.45912  0.0993713 19.9643      0.886218 19.2807      1.22177  20.7233      1.28741  4.37333  0.139684  4.53337  0.141992  
1 1 1 30 24 28 o 3.67809  0.121134  13.6288      0.891083 14.0016      1.24521  13.2375      1.27571  3.7156   0.167565  3.60998  0.176692  
1 1 1 30 24 29 o 0.673584 0.294752  -0.100464    0.754573 0.661764     1.05556  -0.897036    1.07908  0.954235 0.376259  0.683257 0.319426  
1 1 1 30 24 30 o 1.23062  0.345689  1.68037      0.885737 0.905917     1.24024  2.48654      1.26538  1.05004  0.409415  1.47303  0.41299   
1 1 1 30 24 31 o 0.855507 0.335896  0.548488     0.837906 0.284569     1.19074  0.807359     1.1793   0.901022 0.381604  1.00635  0.397418  
1 1 1 30 24 32 o 1.04807  0.357644  1.16436      0.899951 1.96496      1.28727  0.398956     1.25866  1.30739  0.427736  0.93826  0.394602  
1 1 1 30 24 33 o 1.73726  0.273637  3.22699      0.950756 3.42077      1.32914  3.02395      1.36056  1.70155  0.397376  1.5836   0.421873  
1 1 1 30 24 34 o 4.21273  0.125353  18.0748      1.05616  18.0736      1.49923  18.0759      1.48811  4.17298  0.179635  4.17442  0.178242  
1 1 1 30 24 35 o 1.77858  0.265993  3.46312      0.946179 3.01102      1.37439  3.87043      1.30454  1.52217  0.431593  1.78176  0.377595  
1 1 1 30 24 36 o 2.00365  0.235128  4.38812      0.942227 4.96919      1.33138  3.80507      1.33365  2.05379  0.324126  1.71267  0.396802  
1 1 1 30 24 37 o 0.508122 0.249576  -1.4103      0.869713 -1.3145      1.23231  -1.50539     1.22763  0.642791 0.311067  0.625251 0.304613  
1 1 1 30 24 38 o 2.27403  0.238364  5.9395       1.0841   5.76218      1.60144  6.08949      1.4729   1.98593  0.416519  2.16319  0.340447  
1 1 1 30 24 39 o 1.04129  0.373876  1.68515      0.993504 0.655042     1.39499  2.74546      1.41529  0.838967 0.38123   1.21627  0.445288  
1 1 1 30 24 40 o 0.643986 0.303728  -0.142593    1.03218  1.04525      1.54912  -1.091       1.38421  0.837491 0.388106  0.628085 0.309337  
1 1 1 30 24 41 o 0.537085 0.264542  -0.815855    1.00001  -1.36207     1.40765  -0.259316    1.42089  0.574931 0.287466  0.644802 0.317447  
1 1 1 30 25 0  o 4.49975  0.107339  20.2876      0.96476  20.2876      0.96476  20.2876      0.96476  4.50196  0.0758141 ?        ?         
1 1 1 30 25 1  o 12.4074  0.0969078 154.009      2.40474  152.696      3.33415  155.433      3.47166  12.3518  0.134966  12.4617  0.139293  
1 1 1 30 25 2  o 6.13198  0.0700692 37.6097      0.859326 36.2312      1.18736  39.126       1.24524  6.01786  0.0986534 6.25362  0.0995615 
1 1 1 30 25 3  o 14.8922  0.112709  221.91       3.35695  219.943      4.76416  223.85       4.7309   14.8213  0.16072   14.9527  0.158196  
1 1 1 30 25 4  o 7.28991  0.0794962 53.1593      1.15904  53.0874      1.67326  53.2257      1.60701  7.28375  0.114863  7.29342  0.110168  
1 1 1 30 25 5  o 14.3542  0.118236  206.19       3.39437  206.811      4.94577  205.637      4.66707  14.3701  0.172086  14.3304  0.162838  
1 1 1 30 25 6  f 15.3739  0.142375  236.612      4.37772  239.413      6.46839  234.245      5.94653  15.455   0.209266  15.2897  0.194462  
1 1 1 30 25 7  o 19.9709  0.170422  399.49       6.80699  399.353      9.2034   399.656      10.114   19.954   0.230615  19.9555  0.253414  
1 1 1 30 25 8  o 4.51313  0.0972382 20.3798      0.877696 19.3456      1.2056   21.5461      1.28026  4.39589  0.137128  4.63913  0.137985  
1 1 1 30 25 9  o 14.8697  0.124894  221.328      3.71426  220.193      5.15901  222.548      5.35181  14.8245  0.174003  14.9026  0.17956   
1 1 1 30 25 10 o 3.71072  0.108276  13.7806      0.803561 13.3419      1.1024   14.278       1.17376  3.64974  0.151025  3.77543  0.155448  
1 1 1 30 25 11 o 8.38597  0.0822218 70.3606      1.37902  71.5629      1.96433  69.1923      1.93642  8.4551   0.116163  8.31386  0.116457  
1 1 1 30 25 12 o 10.4123  0.0949011 108.5        1.97627  110.044      2.79749  106.961      2.79227  10.4821  0.133441  10.3341  0.1351    
1 1 1 30 25 13 o 2.84992  0.0925294 8.12902      0.527402 8.6888       0.765409 7.62298      0.727735 2.9452   0.129942  2.75858  0.131904  
1 1 1 30 25 14 o 11.783   0.0927671 138.97       2.18616  137.33       3.07111  140.656      3.11269  11.7078  0.131157  11.8487  0.131351  
1 1 1 30 25 15 o 6.29893  0.07377   39.7023      0.929344 40.8934      1.31236  38.5041      1.31623  6.39076  0.102677  6.20099  0.106131  
1 1 1 30 25 16 o 6.17634  0.0774816 38.1783      0.957106 38.3258      1.35051  38.0294      1.35661  6.18578  0.109163  6.16173  0.110084  
1 1 1 30 25 17 f 5.33401  0.0758622 28.4759      0.809299 28.7254      1.18493  28.2577      1.10799  5.35471  0.110643  5.31148  0.104301  
1 1 1 30 25 18 o 4.71178  0.0805186 22.2248      0.758771 21.6105      1.09447  22.7933      1.05287  4.6433   0.117855  4.76936  0.110378  
1 1 1 30 25 19 o 5.4298   0.0812866 29.5194      0.88274  28.5929      1.24085  30.4687      1.25606  5.34046  0.116174  5.51311  0.113915  
1 1 1 30 25 20 o 1.65198  0.188685  2.74909      0.623407 2.91482      0.916016 2.6061       0.850849 1.69464  0.270269  1.6028   0.265425  
1 1 1 30 25 21 o 1.82927  0.170469  3.36863      0.623669 3.19867      0.881746 3.53878      0.882256 1.77595  0.248246  1.86925  0.235993  
1 1 1 30 25 22 o 1.34323  0.248265  1.89035      0.641864 2.01092      0.893316 1.76167      0.922872 1.37162  0.329312  1.28503  0.34978   
1 1 1 30 25 23 o 2.74315  0.125374  7.56027      0.687841 8.09132      0.964002 7.00949      0.98175  2.83234  0.170178  2.63396  0.186364  
1 1 1 30 25 24 o 1.67421  0.198643  2.84022      0.665139 3.31183      0.954212 2.3945       0.927648 1.79842  0.265291  1.49454  0.319654  
1 1 1 30 25 25 o 0.752389 0.308077  0.231236     0.738874 -0.67853     1.00254  1.31298      1.09319  0.689761 0.316704  1.15082  0.394176  
1 1 1 30 25 26 o 4.08374  0.108323  16.7546      0.884722 18.4328      1.23261  14.9712      1.27063  4.27571  0.144141  3.84846  0.165083  
1 1 1 30 25 27 o 2.09812  0.178902  4.46897      0.750716 5.86246      1.06227  3.07862      1.06107  2.39355  0.221904  1.68786  0.325959  
1 1 1 30 25 28 o 2.82468  0.141354  8.064        0.79856  7.5482       1.10987  8.61765      1.14986  2.7172   0.204231  2.90525  0.197893  
1 1 1 30 25 29 o 1.82309  0.2214    3.42087      0.807263 4.21399      1.11146  2.53536      1.17442  2.00729  0.276857  1.49816  0.388698  
1 1 1 30 25 30 o 1.24325  0.341348  1.72255      0.874256 1.85082      1.20721  1.5811       1.26778  1.28578  0.413895  1.21613  0.423738  
1 1 1 30 25 31 o 2.77607  0.1637    7.86285      0.908887 7.03341      1.26806  8.73917      1.30339  2.59402  0.24442   2.90129  0.224623  
1 1 1 30 25 32 o 0.823432 0.342786  0.321332     0.934455 -0.635614    1.32279  1.27461      1.32025  0.79224  0.363771  1.12747  0.426702  
1 1 1 30 25 33 o 1.01598  0.356483  1.11156      0.898598 1.15751      1.26813  1.06522      1.27351  1.07784  0.415277  1.0582   0.414403  
1 1 1 30 25 34 o 0.934884 0.352177  0.876522     0.896038 0.742077     1.27483  1.00779      1.25969  0.974289 0.402652  1.02598  0.408978  
1 1 1 30 25 35 o 1.78299  0.259971  3.49109      0.927052 4.19986      1.34441  2.84856      1.28005  1.84926  0.376568  1.48146  0.415385  
1 1 1 30 25 36 o 0.883659 0.347726  0.806276     0.89984  0.62684      1.25345  0.997091     1.29259  0.904198 0.387513  0.978826 0.405042  
1 1 1 30 25 37 f 0.790705 0.333418  0.487582     0.902507 -0.319458    1.26193  1.33257      1.29125  0.746304 0.347551  1.01579  0.41039   
1 1 1 30 25 38 o 0.741614 0.329457  0.273801     0.983255 0.332429     1.38609  0.214415     1.39502  0.822425 0.375426  0.808735 0.372278  
1 1 1 30 25 39 o 1.04398  0.369405  1.78738      0.966732 2.37469      1.37532  1.21379      1.35916  1.09452  0.430147  0.886367 0.391359  
1 1 1 30 25 40 o 1.09377  0.383326  2.13488      1.03877  0.718999     1.47807  3.51665      1.46016  0.797921 0.373348  1.27339  0.453649  
1 1 1 30 26 0  o 10.1268  0.124153  102.638      2.5137   102.638      2.5137   102.638      2.5137   10.1289  0.0877562 ?        ?         
1 1 1 30 26 1  o 10.6448  0.0910913 113.36       1.9393   116.259      2.80042  110.689      2.6882   10.7777  0.129917  10.5165  0.127809  
1 1 1 30 26 2  o 15.428   0.123121  238.212      3.79905  245.272      5.41801  231.384      5.32844  15.649   0.17311   15.1992  0.175286  
1 1 1 30 26 3  o 5.90282  0.0730892 34.8532      0.862865 34.653       1.20208  35.066       1.23933  5.88506  0.102129  5.91995  0.104674  
1 1 1 30 26 4  o 4.06527  0.0852242 16.533       0.692919 14.9257      0.943009 18.4192      1.02157  3.86182  0.122094  4.29011  0.119061  
1 1 1 30 26 5  o 4.25367  0.0875629 18.1015      0.744927 18.2619      1.08862  17.9603      1.02154  4.27144  0.127431  4.23623  0.120572  
1 1 1 30 26 6  o 6.22676  0.0906957 38.7914      1.12948  38.5762      1.568    39.0234      1.62836  6.20805  0.126288  6.24374  0.1304    
1 1 1 30 26 7  o 7.40208  0.0867287 54.8163      1.28394  53.8506      1.84981  55.714       1.78355  7.33465  0.1261    7.46085  0.119527  
1 1 1 30 26 8  o 7.35686  0.0894213 54.1518      1.31572  56.7298      1.86806  51.6141      1.85344  7.52805  0.124073  7.18031  0.129064  
1 1 1 30 26 9  o 5.02902  0.0946433 25.3071      0.951927 25.8693      1.33067  24.7179      1.36234  5.08306  0.130893  4.96836  0.137102  
1 1 1 30 26 10 o 4.11436  0.102393  16.9417      0.842566 16.2513      1.19427  17.6259      1.18888  4.02782  0.148253  4.19502  0.141702  
1 1 1 30 26 11 o 6.42228  0.083248  41.2705      1.06928  40.9699      1.55843  41.5379      1.46984  6.39663  0.121817  6.44133  0.114095  
1 1 1 30 26 12 o 2.30071  0.124405  5.30151      0.57244  5.31236      0.795562 5.28987      0.824309 2.30143  0.172841  2.29629  0.179487  
1 1 1 30 26 13 o 1.23959  0.194219  1.54288      0.481505 1.60101      0.719358 1.49569      0.648105 1.23493  0.294895  1.19452  0.276524  
1 1 1 30 26 14 o 0.900006 0.262287  0.831762     0.500839 1.40057      0.722381 0.305261     0.695    1.15657  0.307079  0.76322  0.303923  
1 1 1 30 26 15 o 4.59067  0.0758049 21.0902      0.69599  20.8029      0.977998 21.3851      0.990682 4.55755  0.107294  4.62089  0.107196  
1 1 1 30 26 16 f 2.00839  0.138484  4.04486      0.556259 4.16251      0.800501 3.935        0.773531 2.03449  0.196733  1.97817  0.195516  
1 1 1 30 26 17 o 1.37806  0.20292   1.91161      0.559272 2.58414      0.794563 1.25123      0.787348 1.59955  0.24837   1.10286  0.330844  
1 1 1 30 26 18 o 5.90223  0.0795162 34.8762      0.938646 33.8455      1.33776  35.8758      1.31737  5.81069  0.115112  5.98305  0.110091  
1 1 1 30 26 19 o 5.05323  0.0800032 25.568       0.808549 24.9885      1.12286  26.1921      1.16524  4.99254  0.112454  5.11118  0.113989  
1 1 1 30 26 20 o 1.6334   0.184537  2.68789      0.602845 2.58292      0.885024 2.77875      0.823409 1.56833  0.293031  1.65585  0.248636  
1 1 1 30 26 21 o 1.82266  0.168909  3.34588      0.61573  3.8721       0.863518 2.8016       0.878216 1.95588  0.220749  1.65933  0.26463   
1 1 1 30 26 22 o 0.827078 0.298207  0.59314      0.632632 1.19437      0.869716 -0.0824328   0.921918 1.08607  0.351477  0.760043 0.32915   
1 1 1 30 26 23 o 3.87481  0.101089  15.0627      0.783402 16.0804      1.12811  14.1148      1.08874  3.99733  0.141107  3.74435  0.145384  
1 1 1 30 26 24 o 3.76806  0.107711  14.2578      0.811727 15.6765      1.14951  12.8467      1.1464   3.94419  0.145723  3.56755  0.160671  
1 1 1 30 26 25 o 2.34721  0.164916  5.5655       0.774185 4.56976      1.03279  6.84265      1.16967  2.11408  0.244265  2.59111  0.225708  
1 1 1 30 26 26 o 1.81731  0.193389  3.35244      0.702894 3.73817      0.990042 2.96041      0.99809  1.90737  0.25953   1.66365  0.311495  
1 1 1 30 26 27 o 1.38969  0.271005  2.06408      0.726354 3.2965       1.03493  0.867716     1.01968  1.77823  0.291     1.00294  0.376107  
1 1 1 30 26 28 o 2.63666  0.149845  7.04125      0.790181 7.89209      1.11812  6.19233      1.11685  2.77716  0.201306  2.4522   0.227725  
1 1 1 30 26 29 o 3.24076  0.138258  10.6275      0.896124 11.3218      1.28697  9.97401      1.24852  3.32583  0.193481  3.11908  0.200143  
1 1 1 30 26 30 o 5.17051  0.107908  26.9611      1.11588  27.903       1.53973  25.9191      1.61949  5.24141  0.146881  5.04407  0.160534  
1 1 1 30 26 31 o 3.02037  0.154142  9.2891       0.931131 7.32566      1.31531  11.2616      1.31833  2.64444  0.248693  3.30567  0.199405  
1 1 1 30 26 32 o 0.822578 0.339022  0.366445     0.900585 -1.51609     1.22211  2.6036       1.33225  0.658657 0.316795  1.47289  0.427309  
1 1 1 30 26 33 o 1.28087  0.3405    1.91965      0.887493 1.61336      1.26912  2.21277      1.24155  1.1781   0.422608  1.33967  0.418239  
1 1 1 30 26 34 o 0.772062 0.326704  0.263435     0.871549 0.710188     1.27504  -0.128369    1.19405  0.963863 0.400775  0.799482 0.358836  
1 1 1 30 26 35 o 1.57822  0.309771  2.92536      0.942917 2.84765      1.415    2.98743      1.26461  1.43944  0.445922  1.51094  0.408641  
1 1 1 30 26 36 o 1.79207  0.248083  3.58546      0.889163 3.39596      1.25892  3.77409      1.25601  1.59663  0.395732  1.70766  0.377812  
1 1 1 30 26 37 o 0.818721 0.346677  0.598743     0.982421 -0.125783    1.41698  1.26939      1.36328  0.791157 0.368379  0.987815 0.412804  
1 1 1 30 26 38 o 0.711423 0.321091  0.137145     0.969111 0.756341     1.37767  -0.469379    1.3635   0.872362 0.388641  0.722103 0.344215  
1 1 1 30 26 39 o 0.723278 0.322081  0.468538     0.945243 -0.10314     1.32538  1.06031      1.34847  0.705798 0.337137  0.845471 0.380328  
1 1 1 30 26 40 o 0.650968 0.30644   0.0283405    1.04111  0.458663     1.45924  -0.417793    1.48581  0.743455 0.354797  0.673314 0.329438  
1 1 1 30 27 0  o 12.4154  0.143776  154.294      3.56899  154.294      3.56899  154.294      3.56899  12.4185  0.101624  ?        ?         
1 1 1 30 27 1  f 8.92196  0.0827386 79.6322      1.47638  80.7317      2.06499  78.4826      2.11162  8.98171  0.114955  8.85547  0.119227  
1 1 1 30 27 2  o 3.94566  0.079233  15.5738      0.625253 16.2551      0.8996   14.9372      0.869643 4.03032  0.111604  3.86346  0.112547  
1 1 1 30 27 3  o 6.68885  0.0730824 44.7546      0.977674 45.1137      1.35986  44.3705      1.4066   6.71465  0.101261  6.65894  0.105618  
1 1 1 30 27 4  o 8.87556  0.0879964 78.8122      1.56203  77.6891      2.12746  80.1258      2.30082  8.81026  0.120737  8.94683  0.128583  
1 1 1 30 27 5  o 8.3935   0.0932662 70.489       1.56566  70.4918      2.23073  70.4863      2.19799  8.39128  0.13292   8.39109  0.130972  
1 1 1 30 27 6  o 10.1164  0.10181   102.411      2.05991  99.4612      2.82676  105.752      3.00799  9.96641  0.141815  10.2763  0.146355  
1 1 1 30 27 7  o 9.52504  0.0977273 90.7862      1.86171  90.4444      2.56343  91.1676      2.70826  9.5042   0.134858  9.54147  0.141921  
1 1 1 30 27 8  o 11.9232  0.107723  142.284      2.56879  141.695      3.61833  142.882      3.64748  11.8933  0.152116  11.9429  0.152704  
1 1 1 30 27 9  o 9.14941  0.0921975 83.7686      1.68711  83.324       2.42149  84.1881      2.35188  9.1217   0.132733  9.16931  0.128248  
1 1 1 30 27 10 o 5.42471  0.0879834 29.4478      0.954568 28.4584      1.38109  30.3528      1.32085  5.33063  0.129543  5.50579  0.119951  
1 1 1 30 27 11 o 4.81596  0.091325  23.2132      0.879634 24.3047      1.20768  21.9799      1.28378  4.92623  0.122577  4.68382  0.137044  
1 1 1 30 27 12 f 1.71966  0.158739  2.96533      0.545955 2.81166      0.685926 3.23098      0.901842 1.67299  0.204999  1.79135  0.251721  
1 1 1 30 27 13 o 6.79338  0.078126  46.1829      1.06148  46.5164      1.45038  45.7982      1.55767  6.81577  0.106399  6.76218  0.115175  
1 1 1 30 27 14 o 4.48893  0.0731588 20.1646      0.65681  19.8471      0.928615 20.4824      0.929125 4.45185  0.104295  4.52264  0.102719  
1 1 1 30 27 15 o 3.26856  0.088143  10.6954      0.576202 11.2727      0.823013 10.1403      0.80697  3.35386  0.122696  3.18071  0.126854  
1 1 1 30 27 16 o 2.6109   0.109663  6.8296       0.572637 6.79974      0.821522 6.85782      0.798626 2.60252  0.157832  2.61393  0.152763  
1 1 1 30 27 17 o 5.38522  0.0756761 29.0298      0.815065 28.2155      1.14361  29.8704      1.16196  5.30638  0.107758  5.45991  0.106408  
1 1 1 30 27 18 o 4.30392  0.0838107 18.5492      0.721428 18.5078      1.02044  18.5906      1.02007  4.29615  0.118762  4.30577  0.118453  
1 1 1 30 27 19 o 2.42143  0.122685  5.88193      0.594146 5.52156      0.853974 6.22002      0.827166 2.34167  0.182343  2.48681  0.166311  
1 1 1 30 27 20 o 2.06114  0.146356  4.26993      0.603324 4.2669       0.856271 4.27291      0.850218 2.05509  0.208329  2.0567   0.206695  
1 1 1 30 27 21 o 2.0852   0.152362  4.37585      0.635408 4.03756      0.880917 4.74275      0.917399 1.99614  0.220655  2.16456  0.211914  
1 1 1 30 27 22 o 3.13813  0.116582  9.88836      0.7317   10.1011      0.998149 9.64129      1.07576  3.16635  0.157618  3.09092  0.17402   
1 1 1 30 27 23 o 3.51908  0.105976  12.4313      0.745872 13.0888      1.07814  11.8277      1.03295  3.604    0.149575  3.42578  0.150762  
1 1 1 30 27 24 f 1.93438  0.185198  3.78776      0.716488 3.34096      1.00096  4.25722      1.02603  1.8029   0.277599  2.04012  0.251464  
1 1 1 30 27 25 o 2.47462  0.150057  6.17843      0.742666 6.59927      1.0221   5.70774      1.08094  2.54861  0.200522  2.36466  0.228562  
1 1 1 30 27 26 o 1.56994  0.22111   2.52098      0.694258 3.55268      0.982342 1.49144      0.981315 1.85479  0.264813  1.18255  0.372362  
1 1 1 30 27 27 o 2.68468  0.144528  7.28681      0.776024 6.4423       1.09208  8.14819      1.10293  2.50696  0.217809  2.82623  0.195124  
1 1 1 30 27 28 o 1.92802  0.207111  3.8114       0.798629 3.59058      1.13299  4.02946      1.12591  1.84418  0.30718   1.96016  0.287198  
1 1 1 30 27 29 o 1.41559  0.294503  2.18707      0.806177 2.16704      1.12814  2.20798      1.15247  1.38109  0.390838  1.3927   0.395322  
1 1 1 30 27 30 o 0.912478 0.344995  0.729438     0.86234  0.218742     1.15863  1.36365      1.29117  0.878588 0.374421  1.15653  0.425129  
1 1 1 30 27 31 o 2.30126  0.194621  5.46195      0.895746 5.46851      1.28768  5.45581      1.24686  2.264    0.284382  2.26592  0.275133  
1 1 1 30 27 32 o 2.40307  0.19543   5.98788      0.939266 6.20875      1.29465  5.74244      1.36477  2.40939  0.268668  2.30086  0.296577  
1 1 1 30 27 33 o 0.612636 0.285704  -0.600315    0.856585 -0.811173    1.25376  -0.415734    1.17305  0.731407 0.34255   0.756291 0.345293  
1 1 1 30 27 34 o 0.845052 0.339416  0.582133     0.87597  -0.561614    1.23651  1.73442      1.24112  0.748633 0.346857  1.18369  0.418586  
1 1 1 30 27 35 o 0.738707 0.323375  0.12957      0.908977 0.959386     1.35714  -0.545533    1.2241   0.988192 0.412346  0.730205 0.340923  
1 1 1 30 27 36 o 1.67049  0.267452  3.18117      0.893549 2.32521      1.28682  3.97819      1.24172  1.27348  0.427662  1.76197  0.364699  
1 1 1 30 27 37 o 0.757128 0.330307  0.37649      0.941667 -0.650016    1.34769  1.35574      1.3163   0.711215 0.339781  0.98607  0.408433  
1 1 1 30 27 38 o 1.25725  0.370053  2.37104      0.992163 1.54187      1.40041  3.20669      1.40587  0.977376 0.413884  1.33782  0.447007  
1 1 1 30 27 39 o 0.732018 0.327445  0.531998     0.986858 0.934716     1.3494   0.0689509    1.44695  0.81724  0.372314  0.729589 0.349398  
1 1 1 30 27 40 o 0.558089 0.272041  -0.535754    0.984009 -0.127706    1.43733  -0.895713    1.34998  0.656246 0.321853  0.593399 0.294814  
1 1 1 30 28 0  o 17.4989  0.191417  306.671      6.69734  306.671      6.69734  306.671      6.69734  17.5054  0.135283  ?        ?         
1 1 1 30 28 1  o 2.57095  0.11187   6.61498      0.575226 7.16515      0.798181 6.02048      0.829719 2.67489  0.149199  2.45144  0.169231  
1 1 1 30 28 2  o 8.43572  0.0832913 71.1928      1.40524  72.5118      1.96425  69.81        2.01122  8.51174  0.115385  8.35134  0.120413  
1 1 1 30 28 3  o 8.57791  0.077784  73.6095      1.33445  73.4729      1.81658  73.7696      1.96675  8.56847  0.106004  8.58522  0.114543  
1 1 1 30 28 4  o 4.5756   0.0862048 20.9465      0.788877 20.4381      1.06619  21.5615      1.17267  4.51872  0.117975  4.64093  0.126341  
1 1 1 30 28 5  o 7.3338   0.0862941 53.8125      1.26573  53.3645      1.8194   54.2326      1.76199  7.30111  0.124598  7.36057  0.119691  
1 1 1 30 28 6  o 4.51577  0.104416  20.4084      0.943035 20.6444      1.34655  20.1813      1.32112  4.53992  0.148301  4.48877  0.147158  
1 1 1 30 28 7  o 5.98439  0.0875268 35.8342      1.04759  36.3193      1.49793  35.3698      1.46563  6.02289  0.124353  5.94371  0.123292  
1 1 1 30 28 8  o 6.57363  0.0844474 43.2386      1.11025  44.018       1.63222  42.5674      1.51463  6.63035  0.123087  6.52064  0.116141  
1 1 1 30 28 9  o 4.06754  0.100966  16.5607      0.821368 16.2985      1.15445  16.8294      1.16887  4.03329  0.143115  4.09848  0.142598  
1 1 1 30 28 10 o 6.37771  0.0865333 40.7068      1.10377  40.5443      1.5583   40.8705      1.56365  6.36254  0.122459  6.38808  0.122388  
1 1 1 30 28 11 o 11.2796  0.099396  127.367      2.24229  128.111      3.18027  126.632      3.16198  11.3064  0.14064   11.2409  0.140646  
1 1 1 30 28 12 o 2.86046  0.123777  8.19695      0.708119 8.86545      0.989021 7.4938       1.01432  2.97265  0.166353  2.73194  0.185641  
1 1 1 30 28 13 o 7.03085  0.077442  49.4713      1.08897  48.4408      1.4882   50.6591      1.59769  6.95477  0.106991  7.11169  0.112328  
1 1 1 30 28 14 o 3.71077  0.0797052 13.7822      0.591535 14.4775      0.841117 13.1018      0.832071 3.80162  0.110626  3.61623  0.115047  
1 1 1 30 28 15 o 1.56024  0.163171  2.4443       0.509171 2.82988      0.730303 2.07959      0.710269 1.67605  0.217864  1.41257  0.261245  
1 1 1 30 28 16 o 2.20171  0.124305  4.86039      0.547368 4.71969      0.784996 4.99354      0.763636 2.16634  0.18118   2.22897  0.171298  
1 1 1 30 28 17 o 4.88208  0.0758317 23.8608      0.740432 23.4993      1.04333  24.2276      1.05097  4.84225  0.107732  4.9168   0.106875  
1 1 1 30 28 18 o 2.94203  0.103798  8.67483      0.610757 7.86364      0.851188 9.5357       0.876866 2.79758  0.152129  3.08159  0.142275  
1 1 1 30 28 19 o 2.89062  0.105745  8.37698      0.611337 8.94374      0.876804 7.8408       0.852816 2.9833   0.146952  2.79276  0.152684  
1 1 1 30 28 20 o 3.50001  0.0969508 12.2801      0.678658 12.43        0.947391 12.1222      0.972641 3.51735  0.134674  3.47287  0.140034  
1 1 1 30 28 21 o 0.929221 0.2998    0.866211     0.633122 0.965817     0.904431 0.770498     0.886575 1.01826  0.357604  0.956044 0.352197  
1 1 1 30 28 22 f 2.29142  0.1496    5.28837      0.685591 5.40247      0.957983 5.16857      0.981593 2.30818  0.207519  2.25612  0.21754   
1 1 1 30 28 23 o 0.924849 0.309267  0.842538     0.672955 0.19431      0.948535 1.4995       0.9549   0.825056 0.34453   1.19099  0.365787  
1 1 1 30 28 24 o 3.82924  0.109851  14.7299      0.841295 15.408       1.16207  13.983       1.21955  3.90896  0.148642  3.72048  0.163897  
1 1 1 30 28 25 o 1.2756   0.276479  1.73907      0.685493 1.77456      0.958142 1.70186      0.981134 1.27923  0.359604  1.25596  0.367455  
1 1 1 30 28 26 o 2.635    0.143657  7.01529      0.757071 6.63812      1.06309  7.40339      1.07839  2.54882  0.208546  2.69401  0.200146  
1 1 1 30 28 27 o 2.4576   0.167933  6.13683      0.825424 6.21186      1.17934  6.06477      1.15567  2.45213  0.240473  2.42358  0.238423  
1 1 1 30 28 28 o 2.48423  0.159187  6.26789      0.790916 4.79285      1.09514  7.87601      1.14347  2.14619  0.255136  2.76992  0.206409  
1 1 1 30 28 29 o 0.920251 0.338995  0.781278     0.821348 1.66896      1.12505  -0.231768    1.20187  1.22607  0.399878  0.81776  0.363695  
1 1 1 30 28 30 o 1.85663  0.240602  3.59947      0.893417 5.07835      1.27322  2.16498      1.25397  2.18367  0.291532  1.3659   0.419104  
1 1 1 30 28 31 o 0.81758  0.328796  0.443829     0.823482 -0.622809    1.15189  1.55881      1.1777   0.735166 0.338358  1.1824   0.40875   
1 1 1 30 28 32 o 0.88001  0.340874  0.678703     0.85682  0.469616     1.20171  0.894908     1.22199  0.917087 0.385629  1.00853  0.402564  
1 1 1 30 28 33 o 0.68049  0.304449  -0.166773    0.853447 1.10007      1.26305  -1.23114     1.15773  1.04471  0.411693  0.651336 0.31207   
1 1 1 30 28 34 o 0.537902 0.26035   -1.16917     0.864551 -1.33048     1.18425  -0.985096    1.26506  0.642142 0.309584  0.703221 0.333552  
1 1 1 30 28 35 o 1.09319  0.356771  1.51626      0.895563 1.06337      1.3471   1.87496      1.19886  0.996507 0.412995  1.17599  0.411839  
1 1 1 30 28 36 o 1.01264  0.351953  1.33579      0.874153 2.09024      1.24279  0.597042     1.22979  1.19062  0.419087  0.869091 0.378319  
1 1 1 30 28 37 o 1.19421  0.361153  2.03414      0.935682 3.25529      1.32909  0.83421      1.31749  1.42772  0.430164  0.885419 0.388446  
1 1 1 30 28 38 f 0.718231 0.324006  0.348622     0.985597 -0.204439    1.32908  1.02437      1.46911  0.707924 0.338022  0.861907 0.39154   
1 1 1 30 28 39 o 0.656362 0.304167  0.0663064    0.951488 -0.218403    1.34734  0.349554     1.34388  0.692536 0.332978  0.748759 0.351387  
1 1 1 30 29 0  o 2.44724  0.155415  6.06612      0.753641 6.06612      0.753641 6.06612      0.753641 2.4552   0.109015  ?        ?         
1 1 1 30 29 1  o 5.92451  0.0688351 35.1115      0.815628 34.8867      1.13914  35.3481      1.16836  5.90454  0.096463  5.94338  0.098291  
1 1 1 30 29 2  o 7.19063  0.0706601 51.7235      1.01618  52.3543      1.42472  51.0704      1.4498   7.23309  0.0984865 7.14369  0.101474  
1 1 1 30 29 3  o 7.83121  0.0756995 61.3535      1.18564  60.3495      1.64159  62.4483      1.71425  7.76529  0.105701  7.89899  0.108511  
1 1 1 30 29 4  o 10.642   0.10026   113.337      2.13393  111.348      3.02146  115.317      3.01421  10.5439  0.14328   10.7305  0.140451  
1 1 1 30 29 5  o 5.04869  0.0966758 25.508       0.976171 25.069       1.39189  25.9329      1.36942  5.00304  0.139104  5.08877  0.134553  
1 1 1 30 29 6  o 13.7171  0.126979  188.413      3.48356  188.67       4.91956  188.154      4.93346  13.7171  0.179322  13.6982  0.180077  
1 1 1 30 29 7  f 1.60537  0.222596  2.58879      0.714701 2.80101      1.01615  2.38102      1.00542  1.63845  0.321556  1.5056   0.341651  
1 1 1 30 29 8  o 1.11914  0.303326  1.30594      0.695851 0.945121     0.979263 1.67394      0.988973 1.04249  0.371497  1.27175  0.367909  
1 1 1 30 29 9  o 3.59073  0.104315  12.9082      0.749135 13.013       1.02897  12.79        1.09279  3.60348  0.142774  3.57192  0.152969  
1 1 1 30 29 10 o 7.60679  0.0831833 57.9078      1.26552  59.0956      1.83333  56.8266      1.74906  7.68128  0.119338  7.53269  0.116098  
1 1 1 30 29 11 o 3.5511   0.102661  12.6261      0.729115 12.0698      1.03503  13.174       1.02726  3.46956  0.149159  3.62526  0.141681  
1 1 1 30 29 12 o 8.80741  0.0887442 77.6505      1.56321  79.6211      2.17116  75.5295      2.25252  8.91441  0.121778  8.6812   0.129735  
1 1 1 30 29 13 o 0.895391 0.295172  0.775844     0.61301  0.441936     0.88937  1.07805      0.846101 0.873902 0.345122  1.05197  0.346779  
1 1 1 30 29 14 o 5.45812  0.0759863 29.8173      0.829485 30.4556      1.14173  29.1039      1.20714  5.5141   0.103528  5.38959  0.111988  
1 1 1 30 29 15 o 0.583341 0.247815  0.00850441   0.504725 -0.0461936   0.723884 0.0602539    0.704103 0.683259 0.293712  0.699537 0.294714  
1 1 1 30 29 16 o 5.57691  0.0732392 31.1331      0.816896 30.5324      1.13984  31.7674      1.17134  5.52011  0.103244  5.63055  0.104016  
1 1 1 30 29 17 o 1.67594  0.161753  2.8237       0.542176 3.17075      0.776414 2.49341      0.757444 1.77208  0.219069  1.56983  0.24125   
1 1 1 30 29 18 o 4.37233  0.0808368 19.1448      0.70689  18.694       0.989976 19.6138      1.0097   4.31743  0.114649  4.42243  0.114157  
1 1 1 30 29 19 o 5.54036  0.0775763 30.7417      0.859601 31.0784      1.21793  30.4074      1.2134   5.56652  0.109398  5.50598  0.11019   
1 1 1 30 29 20 o 2.43632  0.126412  5.96247      0.61596  5.41488      0.851497 6.56356      0.892121 2.31604  0.183826  2.55103  0.174855  
1 1 1 30 29 21 o 2.14465  0.155609  4.63399      0.66745  3.86207      0.91705  5.5035       0.973293 1.94851  0.235321  2.3302   0.208843  
1 1 1 30 29 22 o 1.22658  0.267876  1.60005      0.638996 2.09738      0.916022 1.12865      0.891819 1.39446  0.332635  1.06346  0.356024  
1 1 1 30 29 23 o 4.50422  0.0982962 20.358       0.885495 20.621       1.25824  20.0999      1.2464   4.52528  0.139024  4.46762  0.139493  
1 1 1 30 29 24 o 2.47072  0.149884  6.15899      0.740643 6.32495      1.0218   5.97526      1.07508  2.49414  0.20484   2.42072  0.222058  
1 1 1 30 29 25 o 4.88727  0.0954411 23.9883      0.932893 22.1794      1.33127  25.7337      1.30767  4.68727  0.142009  5.05294  0.129397  
1 1 1 30 29 26 o 1.76416  0.213729  3.1871       0.754103 2.85232      1.0948   3.48934      1.04022  1.60974  0.34984   1.82935  0.284314  
1 1 1 30 29 27 o 3.00417  0.136859  9.12459      0.822294 9.03006      1.14193  9.2264       1.18507  2.97286  0.192058  3.00324  0.197299  
1 1 1 30 29 28 o 0.802943 0.315272  0.456678     0.738205 1.07934      1.05141  -0.148698    1.03671  1.05523  0.384046  0.776419 0.342436  
1 1 1 30 29 29 o 2.83007  0.164019  8.17078      0.928369 10.5403      1.32025  5.85323      1.3057   3.19599  0.206548  2.35254  0.277507  
1 1 1 30 29 30 o 0.983457 0.348326  0.979266     0.859742 1.37412      1.22938  0.601315     1.20277  1.14642  0.415472  0.96284  0.39346   
1 1 1 30 29 31 o 1.64711  0.255832  2.87695      0.842766 2.71093      1.18898  3.04458      1.19474  1.51543  0.390069  1.61539  0.376422  
1 1 1 30 29 32 o 1.39411  0.317737  2.23998      0.866509 1.41104      1.18784  3.18283      1.26682  1.11808  0.408078  1.61571  0.394838  
1 1 1 30 29 33 o 0.90435  0.347684  0.790635     0.887906 0.524678     1.27985  1.03741      1.23284  0.927228 0.394285  1.02086  0.40533   
1 1 1 30 29 34 o 0.864211 0.346353  0.678659     0.909311 2.37554      1.29355  -0.97898     1.2785   1.32447  0.428649  0.701986 0.334078  
1 1 1 30 29 35 o 0.743867 0.320229  0.264044     0.862774 1.1302       1.29085  -0.435315    1.15992  0.998109 0.407699  0.717485 0.333774  
1 1 1 30 29 36 o 1.11532  0.367852  1.73873      0.95206  2.1148       1.32954  1.34293      1.36396  1.16211  0.430718  0.997406 0.414605  
1 1 1 30 29 37 o 0.498486 0.247134  -1.59451     0.927799 -0.743       1.30764  -2.45776     1.31662  0.683147 0.32836   0.559867 0.279934  
1 1 1 30 29 38 o 0.878937 0.352401  1.21672      0.941908 1.43312      1.32803  0.997672     1.33612  0.901344 0.39275   0.835487 0.377056  
1 1 1 30 29 39 o 0.565298 0.273485  -0.567073    0.94985  -0.0813641   1.34859  -1.04523     1.33806  0.683546 0.329747  0.607499 0.300109  
1 1 1 30 30 0  o 10.1636  0.157515  103.476      3.20012  103.476      3.20012  103.476      3.20012  10.168   0.111303  ?        ?         
1 1 1 30 30 1  o 16.3543  0.160808  267.818      5.25867  267.818      5.25867  267.818      5.25867  16.3597  0.113659  ?        ?         
1 1 1 30 30 2  o 8.08105  0.104165  65.3648      1.68289  65.3648      1.68289  65.3648      1.68289  8.08294  0.0736246 ?        ?         
1 1 1 30 30 3  o 11.9779  0.140602  143.65       3.36721  143.65       3.36721  143.65       3.36721  11.9817  0.0993748 ?        ?         
1 1 1 30 30 4  o 12.2984  0.163802  151.508      4.02738  151.508      4.02738  151.508      4.02738  12.3036  0.115753  ?        ?         
1 1 1 30 30 5  o 3.22231  0.168143  10.4813      1.07688  10.4813      1.07688  10.4813      1.07688  3.22997  0.118236  ?        ?         
1 1 1 30 30 6  o 4.85296  0.127094  23.6184      1.23165  23.6184      1.23165  23.6184      1.23165  4.85643  0.0897344 ?        ?         
1 1 1 30 30 7  o 6.79534  0.114709  46.2478      1.55797  46.2478      1.55797  46.2478      1.55797  6.79797  0.0810537 ?        ?         
1 1 1 30 30 8  o 1.38075  0.38702   2.31575      0.923976 2.31575      0.923976 2.31575      0.923976 1.46276  0.243711  ?        ?         
1 1 1 30 30 9  o 3.08531  0.156712  9.60576      0.961319 9.60576      0.961319 9.60576      0.961319 3.09237  0.110226  ?        ?         
1 1 1 30 30 10 o 8.06259  0.131383  65.1256      2.1173   65.1256      2.1173   65.1256      2.1173   8.06632  0.0928309 ?        ?         
1 1 1 30 30 11 o 5.92572  0.121867  35.1934      1.44292  35.1934      1.44292  35.1934      1.44292  5.92906  0.0860831 ?        ?         
1 1 1 30 30 12 o 7.79534  0.123751  60.8796      1.92827  60.8796      1.92827  60.8796      1.92827  7.79893  0.08744   ?        ?         
1 1 1 30 30 13 o 2.4554   0.200426  6.16657      0.969165 6.16657      0.969165 6.16657      0.969165 2.46963  0.13977   ?        ?         
1 1 1 30 30 14 o 0.454808 0.296671  -0.0187113   0.635995 -0.0187113   0.635995 -0.0187113   0.635995 0.381439 0.249078  ?        ?         
1 1 1 30 30 15 o 3.38201  0.120454  11.4967      0.812411 11.4967      0.812411 11.4967      0.812411 3.38636  0.0849407 ?        ?         
1 1 1 30 30 16 o 3.92591  0.113418  15.4712      0.888859 15.4712      0.888859 15.4712      0.888859 3.92964  0.0800463 ?        ?         
1 1 1 30 30 17 o 1.33623  0.324689  2.08723      0.751246 2.08723      0.751246 2.08723      0.751246 1.40025  0.201963  ?        ?         
1 1 1 30 30 18 o 4.4594   0.112121  19.954       0.998555 19.954       0.998555 19.954       0.998555 4.4632   0.0791569 ?        ?         
1 1 1 30 30 19 o 3.77848  0.126959  14.3568      0.956968 14.3568      0.956968 14.3568      0.956968 3.7838   0.0895311 ?        ?         
1 1 1 30 30 20 o 4.31233  0.122324  18.6826      1.05308  18.6826      1.05308  18.6826      1.05308  4.31735  0.0863162 ?        ?         
1 1 1 30 30 21 o 1.29158  0.409481  2.137        0.927675 2.137        0.927675 2.137        0.927675 1.38599  0.265071  ?        ?         
1 1 1 30 30 22 o 0.4665   0.319093  -0.431466    0.889877 -0.431466    0.889877 -0.431466    0.889877 0.372381 0.258604  ?        ?         
1 1 1 30 30 23 o 2.64047  0.212504  7.16551      1.1055   7.16551      1.1055   7.16551      1.1055   2.65903  0.148039  ?        ?         
1 1 1 30 30 24 o 10.2226  0.140652  104.99       2.87443  104.99       2.87443  104.99       2.87443  10.2344  0.0993197 ?        ?         
1 1 1 30 30 25 f 4.71954  0.135744  22.4324      1.2789   22.4324      1.2789   22.4324      1.2789   4.72795  0.0957239 ?        ?         
1 1 1 30 30 26 o 0.644009 0.403613  0.342693     1.04851  0.342693     1.04851  0.342693     1.04851  0.571979 0.349354  ?        ?         
1 1 1 30 30 27 o 1.68032  0.360978  3.2707       1.06415  3.2707       1.06415  3.2707       1.06415  1.75524  0.222372  ?        ?         
1 1 1 30 30 28 o 1.56664  0.404495  2.99932      1.09334  2.99932      1.09334  2.99932      1.09334  1.66376  0.249104  ?        ?         
1 1 1 30 30 29 o 1.08493  0.513304  1.88116      1.2525   1.88116      1.2525   1.88116      1.2525   1.17075  0.416176  ?        ?         
1 1 1 30 30 30 o 2.62547  0.254552  7.27278      1.30779  7.27278      1.30779  7.27278      1.30779  2.66223  0.175426  ?        ?         
1 1 1 30 30 31 o 0.591056 0.388741  0.0422612    1.1191   0.0422612    1.1191   0.0422612    1.1191   0.506345 0.330544  ?        ?         
1 1 1 30 30 32 o 1.80151  0.388293  3.89326      1.22659  3.89326      1.22659  3.89326      1.22659  1.90079  0.236389  ?        ?         
1 1 1 30 30 33 o 1.21919  0.510606  2.37411      1.24186  2.37411      1.24186  2.37411      1.24186  1.3666   0.372287  ?        ?         
1 1 1 30 30 34 o 1.42729  0.521571  3.13297      1.3681   3.13297      1.3681   3.13297      1.3681   1.61273  0.341103  ?        ?         
1 1 1 30 30 35 o 0.574431 0.389871  -0.146676    1.28872  -0.146676    1.28872  -0.146676    1.28872  0.489601 0.330686  ?        ?         
1 1 1 30 30 36 o 0.464404 0.332177  -1.07279     1.27161  -1.07279     1.27161  -1.07279     1.27161  0.372355 0.268755  ?        ?         
1 1 1 30 30 37 f 1.07179  0.528     2.42605      1.34074  2.42605      1.34074  2.42605      1.34074  1.26973  0.421072  ?        ?         
1 1 1 30 30 38 o 0.656258 0.426352  0.833925     1.29789  0.833925     1.29789  0.833925     1.29789  0.645616 0.391642  ?        ?         
1 1 1 30 30 39 o 0.598821 0.40435   0.69049      1.36088  0.69049      1.36088  0.69049      1.36088  0.580373 0.373493  ?        ?         
1 1 1 31 0  0  o 27.1862  0.361393  740.444      19.642   740.444      19.642   740.444      19.642   27.1985  0.255377  ?        ?         
1 1 1 31 0  1  o 4.54264  0.0758002 20.654       0.688234 20.654       0.688234 20.654       0.688234 4.54365  0.05357   ?        ?         
1 1 1 31 0  2  o 13.5466  0.140228  183.603      3.79829  183.603      3.79829  183.603      3.79829  13.5483  0.0991315 ?        ?         
1 1 1 31 0  3  o 17.0898  0.166341  292.221      5.68427  292.221      5.68427  292.221      5.68427  17.0921  0.117593  ?        ?         
1 1 1 31 0  4  o 19.8086  0.18791   392.612      7.44298  392.612      7.44298  392.612      7.44298  19.8115  0.13284   ?        ?         
1 1 1 31 0  5  o 20.7138  0.214809  429.369      8.89688  429.369      8.89688  429.369      8.89688  20.7175  0.151848  ?        ?         
1 1 1 31 0  6  o 16.4604  0.157981  271.074      5.1998   271.074      5.1998   271.074      5.1998   16.4624  0.111685  ?        ?         
1 1 1 31 0  7  o 20.9155  0.207176  437.726      8.66445  437.726      8.66445  437.726      8.66445  20.9187  0.146457  ?        ?         
1 1 1 31 0  8  o 9.26811  0.0990121 85.9335      1.83484  85.9335      1.83484  85.9335      1.83484  9.26907  0.0699959 ?        ?         
1 1 1 31 0  9  o 1.26224  0.23912   1.75487      0.53975  1.75487      0.53975  1.75487      0.53975  1.2987   0.151633  ?        ?         
1 1 1 31 0  10 o 3.94535  0.097299  15.5953      0.766703 15.5953      0.766703 15.5953      0.766703 3.94722  0.0687207 ?        ?         
1 1 1 31 0  11 o 18.1193  0.174907  328.475      6.33704  328.475      6.33704  328.475      6.33704  18.1216  0.123649  ?        ?         
1 1 1 31 0  12 o 7.10894  0.0968748 50.5691      1.37678  50.5691      1.37678  50.5691      1.37678  7.11006  0.0684756 ?        ?         
1 1 1 31 0  13 o 16.946   0.172768  287.338      5.85409  287.338      5.85409  287.338      5.85409  16.9485  0.122133  ?        ?         
1 1 1 31 0  14 o 7.78807  0.128975  60.7143      2.00769  60.7143      2.00769  60.7143      2.00769  7.79     0.0911484 ?        ?         
1 1 1 31 0  15 o 6.48106  0.0988564 42.0379      1.28072  42.0379      1.28072  42.0379      1.28072  6.48236  0.0698696 ?        ?         
1 1 1 31 0  16 o 16.9351  0.184582  287.015      6.25018  287.015      6.25018  287.015      6.25018  16.9383  0.130477  ?        ?         
1 1 1 31 0  17 o 22.9027  0.23022   525.056      10.5429  525.056      10.5429  525.056      10.5429  22.9083  0.162731  ?        ?         
1 1 1 31 0  18 o 2.19652  0.238388  4.99693      1.01907  4.99693      1.01907  4.99693      1.01907  2.21679  0.164618  ?        ?         
1 1 1 31 0  19 o 4.94272  0.137998  24.4958      1.36177  24.4958      1.36177  24.4958      1.36177  4.94603  0.0974277 ?        ?         
1 1 1 31 0  20 o 23.5928  0.256867  557.642      12.1172  557.642      12.1172  557.642      12.1172  23.6035  0.181525  ?        ?         
1 1 1 31 0  21 o 3.605    0.160705  13.0823      1.15344  13.0823      1.15344  13.0823      1.15344  3.61102  0.113185  ?        ?         
1 1 1 31 0  22 o 1.72132  0.347264  3.30938      1.05888  3.30938      1.05888  3.30938      1.05888  1.779    0.217812  ?        ?         
1 1 1 31 0  23 o 3.51754  0.166965  12.4697      1.16858  12.4697      1.16858  12.4697      1.16858  3.52444  0.117522  ?        ?         
1 1 1 31 0  24 o 0.783304 0.450234  0.807708     1.10695  0.807708     1.10695  0.807708     1.10695  0.742707 0.394674  ?        ?         
1 1 1 31 0  25 o 2.40665  0.238896  5.97988      1.12388  5.97988      1.12388  5.97988      1.12388  2.42669  0.16551   ?        ?         
1 1 1 31 0  26 o 0.545934 0.368494  -0.413973    1.12824  -0.413973    1.12824  -0.413973    1.12824  0.440674 0.301617  ?        ?         
1 1 1 31 0  27 o 3.80211  0.17805   14.5888      1.34717  14.5888      1.34717  14.5888      1.34717  3.81086  0.125291  ?        ?         
1 1 1 31 0  28 o 0.40406  0.293426  -2.05563     1.17985  -2.05563     1.17985  -2.05563     1.17985  0.300295 0.222375  ?        ?         
1 1 1 31 0  29 o 7.9426   0.13717   63.2759      2.17751  63.2759      2.17751  63.2759      2.17751  7.94863  0.0968875 ?        ?         
1 1 1 31 0  30 o 0.75953  0.457426  0.655566     1.23175  0.655566     1.23175  0.655566     1.23175  0.696754 0.399773  ?        ?         
1 1 1 31 0  31 o 0.644538 0.411743  0.195692     1.14509  0.195692     1.14509  0.195692     1.14509  0.557818 0.351591  ?        ?         
1 1 1 31 0  32 o 0.513798 0.35876   -1.01553     1.28094  -1.01553     1.28094  -1.01553     1.28094  0.401058 0.285412  ?        ?         
1 1 1 31 0  33 o 1.23737  0.52069   2.24916      1.29013  2.24916      1.29013  2.24916      1.29013  1.34298  0.391627  ?        ?         
1 1 1 31 0  34 o 2.60054  0.256793  7.06569      1.30572  7.06569      1.30572  7.06569      1.30572  2.63029  0.177361  ?        ?         
1 1 1 31 0  35 o 1.35432  0.510149  2.59751      1.28766  2.59751      1.28766  2.59751      1.28766  1.48167  0.354464  ?        ?         
1 1 1 31 0  36 o 0.554445 0.380428  -0.590597    1.28624  -0.590597    1.28624  -0.590597    1.28624  0.446603 0.310211  ?        ?         
1 1 1 31 0  37 o 1.37355  0.535191  2.77086      1.39631  2.77086      1.39631  2.77086      1.39631  1.51427  0.377192  ?        ?         
1 1 1 31 0  38 o 1.62368  0.522613  3.58462      1.49311  3.58462      1.49311  3.58462      1.49311  1.77548  0.331753  ?        ?         
1 1 1 31 0  39 o 1.314    0.564538  2.78362      1.51009  2.78362      1.51009  2.78362      1.51009  1.46802  0.420027  ?        ?         
1 1 1 31 0  40 o 4.48667  0.192093  20.7279      1.71653  20.7279      1.71653  20.7279      1.71653  4.51985  0.134541  ?        ?         
1 1 1 31 0  41 o 0.981426 0.533304  1.82504      1.45494  1.82504      1.45494  1.82504      1.45494  1.05223  0.466577  ?        ?         
1 1 1 31 0  42 o 0.453119 0.327531  -1.62169     1.36102  -1.62169     1.36102  -1.62169     1.36102  0.353673 0.258577  ?        ?         
1 1 1 31 0  43 o 1.15505  0.57823   2.86949      1.61807  2.86949      1.61807  2.86949      1.61807  1.36704  0.46711   ?        ?         
1 1 1 31 0  44 o 0.701099 0.467881  0.944347     1.71864  0.944347     1.71864  0.944347     1.71864  0.684846 0.431292  ?        ?         
1 1 1 31 0  45 o 0.468635 0.343616  -1.84638     1.7372   -1.84638     1.7372   -1.84638     1.7372   0.383063 0.281606  ?        ?         
1 1 1 31 1  0  o 21.4416  0.21637   460.085      9.27652  460.085      9.27652  460.085      9.27652  21.4456  0.152951  ?        ?         
1 1 1 31 1  1  o 10.8742  0.0800831 118.262      1.74168  116.847      2.49454  119.609      2.43284  10.8082  0.1154    10.9353  0.111238  
1 1 1 31 1  2  o 19.6451  0.134475  386.058      5.28357  387.417      7.50142  384.721      7.44311  19.6763  0.190621  19.6078  0.1898    
1 1 1 31 1  3  o 13.0839  0.0920633 171.213      2.40909  173.121      3.36873  169.216      3.44654  13.1556  0.128034  13.0063  0.132495  
1 1 1 31 1  4  o 16.1335  0.11417   260.347      3.68391  261.941      5.23474  258.782      5.18527  16.1809  0.161756  16.0831  0.161202  
1 1 1 31 1  5  o 3.63864  0.0658487 13.2406      0.4792   12.6081      0.615033 14.2178      0.764463 3.55057  0.0866104 3.77033  0.101379  
1 1 1 31 1  6  o 21.8999  0.147963  479.768      6.48075  481.441      9.29217  478.183      9.04323  21.9341  0.21182   21.8601  0.206843  
1 1 1 31 1  7  o 11.3084  0.0860363 127.895      1.94587  126.242      2.72504  129.615      2.77953  11.2345  0.12128   11.3836  0.122085  
1 1 1 31 1  8  o 7.08365  0.0628108 50.181       0.889859 51.8324      1.28958  48.68        1.22948  7.19904  0.089566  6.9767   0.088113  
1 1 1 31 1  9  o 17.6317  0.122308  310.946      4.31301  310.262      6.09213  311.634      6.10695  17.6102  0.172971  17.6491  0.17301   
1 1 1 31 1  10 o 8.68817  0.0725086 75.4902      1.25993  77.3997      1.79098  73.6193      1.77279  8.79701  0.101795  8.57947  0.103316  
1 1 1 31 1  11 o 19.7541  0.136771  390.34       5.40357  389.173      7.62318  391.518      7.66057  19.7216  0.19327   19.7809  0.193636  
1 1 1 31 1  12 o 7.5179   0.0771007 56.5247      1.15927  58.2784      1.73484  55.1099      1.55826  7.63315  0.113638  7.42288  0.104963  
1 1 1 31 1  13 f 18.9462  0.135261  359.088      5.12536  361.772      7.46783  356.699      7.04715  19.013   0.196387  18.8799  0.186631  
1 1 1 31 1  14 o 15.9734  0.118211  255.224      3.77647  253.563      5.3875   256.829      5.29517  15.9189  0.169218  16.0213  0.165254  
1 1 1 31 1  15 o 13.0029  0.0987091 169.112      2.56701  169.429      3.67528  168.81       3.58693  13.0136  0.141209  12.99    0.138066  
1 1 1 31 1  16 o 4.14841  0.100293  17.2135      0.83211  15.7799      1.11952  18.9832      1.24384  3.97143  0.140946  4.35589  0.142777  
1 1 1 31 1  17 o 9.37979  0.0859404 87.9981      1.61221  90.6012      2.35186  85.6905      2.21435  9.51648  0.123568  9.2551   0.119629  
1 1 1 31 1  18 o 1.53995  0.243454  2.3758       0.749815 2.64816      1.06201  2.10508      1.05879  1.59352  0.343048  1.42142  0.369197  
1 1 1 31 1  19 o 9.92314  0.0923934 98.5002      1.83366  96.9807      2.53761  100.161      2.65259  9.84478  0.128881  10.0047  0.132567  
1 1 1 31 1  20 o 11.0935  0.100307  123.124      2.22552  123.069      3.17939  123.176      3.11627  11.0883  0.143367  11.0933  0.140457  
1 1 1 31 1  21 o 9.15689  0.0868695 83.8838      1.59091  83.944       2.20138  83.818       2.30174  9.15843  0.120183  9.1512   0.125761  
1 1 1 31 1  22 o 5.71077  0.0876798 32.6294      1.00144  33.3635      1.41642  31.8957      1.41607  5.77321  0.122672  5.64466  0.125435  
1 1 1 31 1  23 o 3.90623  0.107926  15.2731      0.843168 15.4604      1.19911  15.09        1.18584  3.92822  0.152628  3.88086  0.15278   
1 1 1 31 1  24 o 8.01384  0.0865758 64.2722      1.38761  62.4935      1.96294  66.0489      1.96181  7.89893  0.124254  8.12087  0.120788  
1 1 1 31 1  25 o 7.28302  0.087952  53.0924      1.28111  53.6005      1.84288  52.6172      1.78217  7.31414  0.125981  7.24708  0.122958  
1 1 1 31 1  26 o 3.35873  0.130031  11.3087      0.87348  10.8697      1.22196  11.7675      1.24906  3.28864  0.185785  3.42206  0.182501  
1 1 1 31 1  27 o 3.26978  0.140592  10.728       0.919414 11.5913      1.31271  9.89683      1.28813  3.39356  0.193412  3.13442  0.205482  
1 1 1 31 1  28 f 1.40927  0.305286  2.10004      0.836198 2.93887      1.20081  1.31031      1.16513  1.65998  0.371098  1.17634  0.40657   
1 1 1 31 1  29 o 1.22217  0.329926  1.58375      0.82529  0.401971     1.12143  2.97994      1.21892  0.937649 0.381005  1.66767  0.374635  
1 1 1 31 1  30 o 3.16836  0.147465  10.1005      0.934441 10.1316      1.33238  10.0703      1.31088  3.16333  0.210597  3.15425  0.207797  
1 1 1 31 1  31 o 1.04819  0.341406  1.11171      0.820088 0.919845     1.15328  1.30795      1.16639  1.06056  0.39954   1.16363  0.406345  
1 1 1 31 1  32 o 2.72841  0.182825  7.53318      0.997644 8.11978      1.42537  6.96983      1.39683  2.81715  0.252981  2.60646  0.267954  
1 1 1 31 1  33 o 4.13371  0.124084  17.1932      1.02585  19.0217      1.45897  15.4053      1.44272  4.33657  0.168217  3.89798  0.18506   
1 1 1 31 1  34 o 2.12999  0.21298   4.64107      0.907288 4.99465      1.28353  4.28796      1.28267  2.18773  0.293347  2.01984  0.317516  
1 1 1 31 1  35 o 1.77389  0.26043   3.27203      0.923949 3.58788      1.30733  2.95683      1.306    1.79251  0.376616  1.61338  0.405007  
1 1 1 31 1  36 o 2.22376  0.213302  5.09717      0.948667 5.38245      1.34933  4.81832      1.33404  2.25269  0.299494  2.12542  0.313829  
1 1 1 31 1  37 o 1.76619  0.280839  3.30706      0.992029 3.07921      1.4035   3.53454      1.40238  1.61542  0.427628  1.74243  0.408992  
1 1 1 31 1  38 o 1.00993  0.374758  1.00106      1.0071   1.78603      1.45001  0.269495     1.39983  1.25843  0.451693  0.945021 0.407372  
1 1 1 31 1  39 o 1.87988  0.280882  3.85709      1.05605  2.65878      1.49171  5.0611       1.49526  1.43675  0.459846  2.0681   0.375335  
1 1 1 31 1  40 o 4.10356  0.140567  17.2907      1.15365  17.0492      1.62049  17.5389      1.64275  4.0193   0.201589  4.07673  0.201479  
1 1 1 31 1  41 o 2.0224   0.255972  4.56758      1.03536  5.48024      1.46621  3.65987      1.46223  2.12587  0.344849  1.61828  0.440191  
1 1 1 31 1  42 o 1.15466  0.382768  1.84033      1.03084  3.25505      1.46635  0.458044     1.44944  1.4512   0.454823  0.884081 0.396115  
1 1 1 31 1  43 o 0.550061 0.27306   -1.87833     1.14629  -3.50429     1.67375  -0.442017    1.57311  0.59685  0.301012  0.767755 0.366866  
1 1 1 31 1  44 o 0.60415  0.297236  -1.1066      1.24227  -1.45141     1.70482  -0.716257    1.8139   0.667118 0.33142   0.725162 0.357194  
1 1 1 31 1  45 f 0.696598 0.330822  0.245114     1.2479   1.75718      1.77759  -1.22416     1.75226  0.856582 0.40241   0.649526 0.32451   
1 1 1 31 2  0  o 9.23936  0.102046  85.4048      1.88516  85.4048      1.88516  85.4048      1.88516  9.24041  0.0721393 ?        ?         
1 1 1 31 2  1  o 30.5751  0.209317  935.548      12.7998  931.139      17.8191  940.249      18.3981  30.4916  0.292197  30.6391  0.300239  
1 1 1 31 2  2  o 29.7446  0.208576  885.398      12.408   891.676      17.4791  879.021      17.617   29.8387  0.292892  29.6256  0.297327  
1 1 1 31 2  3  o 14.034   0.105565  196.99       2.963    201.982      4.39775  192.84       4.0097   14.2092  0.154751  13.8842  0.144398  
1 1 1 31 2  4  o 4.00199  0.0558031 16.0167      0.446647 15.7361      0.637611 16.2871      0.62586  3.96667  0.0803712 4.03553  0.0775438 
1 1 1 31 2  5  o 12.2836  0.0929035 150.906      2.28237  152.727      3.22571  149.08       3.22981  12.3566  0.130526  12.2082  0.132281  
1 1 1 31 2  6  o 24.8784  0.17729   619.219      8.8214   621.354      12.5183  617.114      12.4328  24.9153  0.251218  24.8302  0.250356  
1 1 1 31 2  7  o 12.0728  0.0912219 145.77       2.20261  146.7        3.13486  144.863      3.09543  12.1105  0.129428  12.0344  0.128607  
1 1 1 31 2  8  o 6.96271  0.0611001 48.482       0.850844 49.0734      1.21085  47.905       1.19584  7.00485  0.0864293 6.92096  0.0863929 
1 1 1 31 2  9  o 36.0011  0.239395  1297.18      17.237   1294.92      24.3487  1299.45      24.4049  35.9536  0.338613  36.0164  0.338803  
1 1 1 31 2  10 o 12.2421  0.0884527 149.887      2.16569  149.918      3.03119  149.854      3.09533  12.2427  0.123796  12.24    0.126443  
1 1 1 31 2  11 o 17.9872  0.12697   323.626      4.56766  320.473      6.3347   327.041      6.59229  17.8971  0.176976  18.0792  0.182317  
1 1 1 31 2  12 o 6.91358  0.0686246 47.8017      0.948883 48.1672      1.32617  47.4183      1.35825  6.93967  0.0955498 6.88547  0.0986319 
1 1 1 31 2  13 o 9.63472  0.07894   92.8397      1.52113  95.6253      2.2308   90.419       2.07956  9.77752  0.114078  9.50773  0.109362  
1 1 1 31 2  14 f 14.4032  0.105917  207.501      3.05108  207.75       4.38     207.265      4.25258  14.41    0.151978  14.3933  0.147727  
1 1 1 31 2  15 o 22.5751  0.163656  509.942      7.38911  507.098      10.3941  512.849      10.5063  22.5052  0.230927  22.6323  0.232109  
1 1 1 31 2  16 o 22.1582  0.161719  491.308      7.16682  496.683      10.2357  486.138      10.038   22.2715  0.229793  22.0341  0.227784  
1 1 1 31 2  17 o 4.92216  0.0899961 24.2332      0.88595  24.4212      1.29581  24.0682      1.21403  4.94057  0.131139  4.90486  0.123758  
1 1 1 31 2  18 o 24.3537  0.18559   593.758      9.03958  598.148      12.8864  589.505      12.6838  24.4298  0.263745  24.2531  0.261488  
1 1 1 31 2  19 o 3.23308  0.126437  10.4595      0.817562 9.61886      1.13516  11.3656      1.17847  3.09932  0.183131  3.3692   0.174888  
1 1 1 31 2  20 o 3.76514  0.117398  14.1858      0.884043 15.2786      1.20233  12.8998      1.30434  3.90652  0.153888  3.58872  0.181728  
1 1 1 31 2  21 o 4.49915  0.097085  20.2534      0.8736   20.5038      1.20737  19.9782      1.2656   4.52578  0.133388  4.4671   0.141658  
1 1 1 31 2  22 o 4.44237  0.09726   19.7476      0.864131 20.5454      1.23747  18.9883      1.20722  4.52975  0.136594  4.35463  0.138613  
1 1 1 31 2  23 o 3.11393  0.126064  9.70986      0.785109 10.198       1.14498  9.27671      1.07861  3.18897  0.179522  3.04162  0.177309  
1 1 1 31 2  24 o 4.75741  0.0976743 22.6562      0.929353 22.1668      1.34371  23.1051      1.28675  4.703    0.142857  4.80214  0.133976  
1 1 1 31 2  25 o 9.43782  0.0934002 89.1714      1.76299  89.8364      2.54473  88.5576      2.44476  9.46731  0.134395  9.40037  0.130035  
1 1 1 31 2  26 o 3.17009  0.135601  10.077       0.859732 8.65447      1.23769  11.4034      1.19512  2.93203  0.211064  3.36892  0.177374  
1 1 1 31 2  27 o 2.0834   0.207711  4.37405      0.865492 4.63652      1.20982  4.09892      1.23867  2.13793  0.282941  2.00748  0.308514  
1 1 1 31 2  28 o 4.61985  0.108141  21.3945      0.999196 20.0283      1.40525  22.7916      1.42104  4.46398  0.157398  4.7632   0.149168  
1 1 1 31 2  29 o 3.60374  0.128702  13.0391      0.927615 13.3426      1.24286  12.6575      1.39376  3.63992  0.170726  3.54115  0.196795  
1 1 1 31 2  30 o 3.68292  0.135361  13.6361      0.997049 12.6003      1.37707  14.7774      1.4455   3.53037  0.195031  3.82448  0.18898   
1 1 1 31 2  31 o 1.9201   0.217107  3.74543      0.833733 4.29723      1.19218  3.21724      1.1664   2.04352  0.291697  1.72994  0.349353  
1 1 1 31 2  32 o 2.59977  0.191093  6.8486       0.993595 8.43263      1.42428  5.34689      1.38678  2.87167  0.247989  2.27385  0.304941  
1 1 1 31 2  33 f 1.5122   0.301359  2.4469       0.879123 3.35075      1.2656   1.60414      1.22208  1.75073  0.372579  1.24451  0.416765  
1 1 1 31 2  34 o 3.67778  0.134157  13.6512      0.986797 14.217       1.43051  13.1375      1.36302  3.73545  0.191477  3.59142  0.189761  
1 1 1 31 2  35 o 4.21657  0.125272  17.9459      1.05644  17.9421      1.51171  17.9496      1.47695  4.19528  0.180168  4.19802  0.17591   
1 1 1 31 2  36 o 0.973606 0.358334  0.888948     0.917555 -0.575605    1.28769  2.39954      1.30778  0.798025 0.363598  1.43992  0.425184  
1 1 1 31 2  37 o 2.2225   0.22977   5.13963      1.02133  4.49245      1.42701  5.81928      1.46238  1.99279  0.371872  2.3256   0.314409  
1 1 1 31 2  38 o 0.94171  0.367703  0.752034     1.00113  1.19463      1.41082  0.303107     1.42087  1.11859  0.436556  0.95401  0.410825  
1 1 1 31 2  39 o 0.90505  0.366483  0.642462     1.03302  -0.596301    1.47402  1.83812      1.44815  0.823269 0.380391  1.23349  0.450541  
1 1 1 31 2  40 o 1.34303  0.357846  2.20393      0.978813 2.00195      1.36608  2.41702      1.40317  1.24569  0.43929   1.34919  0.446577  
1 1 1 31 2  41 o 1.1823   0.3836    1.83864      1.03547  0.80998      1.41744  3.0158       1.51631  0.960565 0.411891  1.42826  0.464233  
1 1 1 31 2  42 o 0.877938 0.364648  0.797459     1.05374  0.615461     1.4929   0.978147     1.48753  0.904652 0.403754  0.957191 0.416363  
1 1 1 31 2  43 o 0.788276 0.352391  0.398688     1.14137  0.396942     1.68664  0.400163     1.55025  0.862114 0.401607  0.847118 0.390911  
1 1 1 31 2  44 o 1.01335  0.408536  2.03459      1.2758   1.41427      1.74357  2.74947      1.87175  0.885683 0.410939  1.03128  0.456796  
1 1 1 31 2  45 o 0.818516 0.367966  1.37754      1.26021  -0.0151945   1.77162  2.80409      1.793    0.698975 0.345305  0.927804 0.42497   
1 1 1 31 3  0  o 15.8234  0.152031  250.495      4.81028  250.495      4.81028  250.495      4.81028  15.8252  0.107479  ?        ?         
1 1 1 31 3  1  o 16.0603  0.10985   257.985      3.52845  258.732      4.94842  257.213      5.0326   16.082   0.15385   16.0346  0.15693   
1 1 1 31 3  2  o 13.3541  0.0991367 178.359      2.64775  178.233      3.69897  178.491      3.79174  13.3483  0.138556  13.3579  0.141929  
1 1 1 31 3  3  o 12.0648  0.0931872 145.58       2.24858  145.963      3.14327  145.178      3.21798  12.0799  0.130103  12.0473  0.133556  
1 1 1 31 3  4  o 32.125   0.219996  1032.78      14.1348  1034.53      19.804   1030.95      20.1805  32.1406  0.308084  32.084   0.314495  
1 1 1 31 3  5  o 5.00524  0.0585285 25.0537      0.585898 26.0455      0.841571 24.1208      0.816183 5.10322  0.0824549 4.91104  0.0830967 
1 1 1 31 3  6  o 17.9952  0.127104  323.904      4.57452  322.555      6.44312  325.276      6.49591  17.9555  0.179419  18.031   0.180131  
1 1 1 31 3  7  o 3.32785  0.0644692 11.0752      0.429087 11.0201      0.597331 11.1341      0.616779 3.31945  0.0899745 3.33656  0.0924274 
1 1 1 31 3  8  o 10.1767  0.0763031 103.575      1.55303  104.864      2.17634  102.237      2.21685  10.2394  0.106273  10.1103  0.109633  
1 1 1 31 3  9  o 17.2761  0.117671  298.527      4.06582  297.328      5.72691  299.745      5.77324  17.2396  0.166098  17.3095  0.166765  
1 1 1 31 3  10 o 16.0076  0.112578  256.294      3.60421  256.414      5.10392  256.175      5.09036  16.0097  0.159401  16.0022  0.159052  
1 1 1 31 3  11 o 8.99882  0.0748106 80.9867      1.34641  80.1471      1.89708  81.8389      1.91123  8.95161  0.105963  9.04559  0.105644  
1 1 1 31 3  12 o 15.5905  0.113305  243.125      3.53296  244.673      5.02753  241.614      4.96577  15.6381  0.160746  15.5401  0.159773  
1 1 1 31 3  13 o 16.1705  0.113527  261.555      3.67157  262.484      5.27184  260.681      5.11643  16.1969  0.162742  16.1414  0.158488  
1 1 1 31 3  14 o 2.80681  0.106855  7.88012      0.599844 6.83839      0.841702 8.95521      0.855072 2.61429  0.160981  2.99186  0.1429    
1 1 1 31 3  15 o 1.81002  0.192264  3.27902      0.696005 3.79757      0.969213 2.72687      1.00011  1.94731  0.248859  1.6215   0.319778  
1 1 1 31 3  16 o 16.9592  0.127381  287.737      4.32058  289.528      6.1481   285.99       6.07305  17.0082  0.180739  16.9041  0.179633  
1 1 1 31 3  17 o 13.6515  0.110559  186.429      3.01858  186.856      4.29919  186.014      4.23927  13.6645  0.157312  13.6338  0.155469  
1 1 1 31 3  18 o 10.7276  0.100363  115.121      2.15331  115.334      3.06632  114.914      3.0246   10.7356  0.142811  10.7161  0.141124  
1 1 1 31 3  19 o 9.94719  0.0916174 98.9825      1.82267  97.7985      2.50844  100.307      2.65292  9.88583  0.12687   10.0115  0.132494  
1 1 1 31 3  20 o 9.3651   0.0912033 87.7425      1.70826  87.5198      2.42373  87.9624      2.40802  9.35118  0.129595  9.37486  0.12843   
1 1 1 31 3  21 o 3.58661  0.111393  12.8734      0.799044 14.1038      1.12884  11.6379      1.1312   3.75293  0.150395  3.40859  0.165934  
1 1 1 31 3  22 o 5.93823  0.0852129 35.2811      1.01203  34.9914      1.44367  35.5611      1.41909  5.91212  0.122094  5.96021  0.119047  
1 1 1 31 3  23 o 4.17142  0.103765  17.418       0.865691 17.839       1.27543  17.0584      1.17882  4.21918  0.151146  4.1263   0.142842  
1 1 1 31 3  24 o 7.52956  0.0865384 56.7414      1.30319  56.4153      1.87401  57.0468      1.81347  7.50452  0.124859  7.54688  0.120147  
1 1 1 31 3  25 o 2.30604  0.177971  5.34028      0.820817 4.46447      1.17254  6.18191      1.14943  2.10205  0.278904  2.47747  0.231977  
1 1 1 31 3  26 o 2.26512  0.171176  5.15395      0.775467 4.7268       1.08298  5.60342      1.11091  2.16357  0.250275  2.35696  0.235666  
1 1 1 31 3  27 o 4.30218  0.115772  18.5546      0.996141 18.3581      1.37961  18.7687      1.43983  4.27432  0.161384  4.32118  0.166601  
1 1 1 31 3  28 o 2.05958  0.204057  4.27907      0.840541 3.84886      1.21817  4.67004      1.16128  1.94198  0.313641  2.14465  0.270738  
1 1 1 31 3  29 o 3.99645  0.118695  16.0285      0.948719 15.6804      1.25638  16.4904      1.44714  3.94728  0.159144  4.04457  0.178899  
1 1 1 31 3  30 o 2.44645  0.192246  6.05097      0.940641 6.43357      1.31319  5.6478       1.34803  2.51117  0.26147   2.34804  0.287054  
1 1 1 31 3  31 o 0.565983 0.267146  -0.897642    0.801503 -0.583121    1.14971  -1.19502     1.11795  0.764216 0.346952  0.671303 0.31646   
1 1 1 31 3  32 o 1.105    0.365588  1.24027      0.940373 2.34689      1.36164  0.231168     1.30026  1.46488  0.4342    0.950502 0.400472  
1 1 1 31 3  33 o 2.86587  0.159731  8.30491      0.915537 8.87678      1.29236  7.72875      1.29719  2.94842  0.219161  2.7466   0.236145  
1 1 1 31 3  34 o 3.32985  0.146157  11.214       0.973362 11.3102      1.41228  11.127       1.34339  3.32324  0.212485  3.2994   0.20358   
1 1 1 31 3  35 o 0.658564 0.301041  -0.521104    0.894698 -1.85704     1.28204  0.747259     1.24919  0.658467 0.318415  1.02013  0.407074  
1 1 1 31 3  36 o 0.69059  0.311985  -0.357135    0.917086 -1.35976     1.29647  0.647006     1.29745  0.707156 0.336481  1.00145  0.408847  
1 1 1 31 3  37 o 1.26982  0.368073  1.83425      0.988906 0.965351     1.37325  2.77019      1.42525  1.07749  0.427798  1.52582  0.441749  
1 1 1 31 3  38 o 0.634923 0.299333  -0.931613    1.00058  -1.08236     1.4124   -0.779742    1.41767  0.763987 0.358849  0.800036 0.370951  
1 1 1 31 3  39 o 1.81837  0.280848  3.62463      1.02137  4.64509      1.48276  2.70326      1.40894  1.95978  0.39215   1.44942  0.444148  
1 1 1 31 3  40 o 0.879765 0.356035  0.656788     0.974155 1.05688      1.40615  0.287556     1.35084  1.03601  0.424738  0.893485 0.392649  
1 1 1 31 3  41 o 1.96273  0.26444   4.35244      1.03805  5.09957      1.43175  3.52449      1.50721  2.00535  0.370946  1.55952  0.455168  
1 1 1 31 3  42 o 0.517435 0.257517  -2.04238     1.0524   -1.7231      1.47113  -2.37703     1.50612  0.661125 0.324685  0.627132 0.311549  
1 1 1 31 3  43 o 0.676669 0.319506  -0.426284    1.14847  1.94031      1.74409  -2.23812     1.52604  1.0507   0.45384   0.623852 0.310425  
1 1 1 31 3  44 o 1.37526  0.42513   3.55853      1.28705  3.84608      1.78873  3.24984      1.8533   1.20086  0.483903  1.08757  0.468776  
1 1 1 31 3  45 o 0.893796 0.385343  1.92467      1.25285  1.55518      1.74691  2.31601      1.79779  0.795686 0.38174   0.85817  0.403602  
1 1 1 31 4  0  o 2.61743  0.102848  6.88317      0.536506 6.88317      0.536506 6.88317      0.536506 2.62052  0.0725094 ?        ?         
1 1 1 31 4  1  o 27.9519  0.189626  781.741      10.6008  775.427      14.8674  788.27       15.1194  27.8309  0.267102  28.0602  0.269409  
1 1 1 31 4  2  o 12.9725  0.0957007 168.31       2.48296  167.808      3.5054   168.815      3.5175   12.9522  0.13532   12.9911  0.135382  
1 1 1 31 4  3  o 25.6126  0.178062  656.315      9.12125  663.098      12.7293  649.156      13.0765  25.7388  0.247279  25.4659  0.256746  
1 1 1 31 4  4  o 5.9268   0.055788  35.1286      0.661289 37.2339      0.952697 33.1712      0.91864  6.10168  0.0780684 5.75917  0.0797546 
1 1 1 31 4  5  o 22.7387  0.164223  517.252      7.46845  514.527      10.3891  520.167      10.7438  22.6743  0.229094  22.7977  0.235633  
1 1 1 31 4  6  o 5.81098  0.0571562 33.7691      0.664266 33.3187      0.944795 34.2093      0.934125 5.77194  0.0818437 5.84859  0.0798589 
1 1 1 31 4  7  o 30.0702  0.202005  904.764      12.1487  897.975      17.2455  911.453      17.1168  29.9474  0.28793   30.1719  0.283655  
1 1 1 31 4  8  o 18.4957  0.127913  342.176      4.73169  340.516      6.52449  344.017      6.87229  18.4487  0.176828  18.5428  0.185309  
1 1 1 31 4  9  o 13.1762  0.0956556 173.637      2.52075  174.491      3.54705  172.764      3.58299  13.2077  0.13428   13.1421  0.136318  
1 1 1 31 4  10 o 5.91241  0.063419  34.9589      0.749918 35.0962      1.07365  34.8281      1.04791  5.92379  0.0906218 5.90114  0.0887885 
1 1 1 31 4  11 o 11.1383  0.0851537 124.079      1.89694  125.254      2.67653  122.893      2.68887  11.1902  0.119592  11.0842  0.121293  
1 1 1 31 4  12 o 18.4599  0.131933  340.89       4.87095  341.154      7.05834  340.65       6.73048  18.4635  0.191143  18.4505  0.182393  
1 1 1 31 4  13 o 4.80262  0.070822  23.0676      0.680263 23.7863      0.966477 22.362       0.957659 4.87661  0.0990931 4.72834  0.101268  
1 1 1 31 4  14 o 14.697   0.110426  216.06       3.24587  218.387      4.68958  213.919      4.49717  14.7738  0.158713  14.6222  0.153779  
1 1 1 31 4  15 o 6.46691  0.0851092 41.8283      1.10079  39.4352      1.51884  44.4762      1.59765  6.27861  0.120953  6.66788  0.119802  
1 1 1 31 4  16 o 16.3473  0.126961  267.352      4.15093  273.652      5.85644  260.991      5.88425  16.5353  0.177089  16.1479  0.182199  
1 1 1 31 4  17 o 13.2759  0.11011   176.315      2.92361  176.464      4.09106  176.159      4.17959  13.2791  0.154041  13.2674  0.157513  
1 1 1 31 4  18 o 12.0666  0.107494  145.665      2.59418  146.836      3.60189  144.403      3.73942  12.1127  0.148683  12.0114  0.155661  
1 1 1 31 4  19 o 9.55961  0.0879792 91.4184      1.68209  91.5066      2.35542  91.3267      2.40298  9.56257  0.123158  9.55302  0.125771  
1 1 1 31 4  20 o 2.37384  0.161866  5.64311      0.768489 6.32571      1.08501  4.95595      1.08862  2.51195  0.21597   2.22262  0.244895  
1 1 1 31 4  21 o 7.83843  0.0839552 61.4684      1.31615  59.52        1.86101  63.418       1.86163  7.71133  0.120668  7.96006  0.116936  
1 1 1 31 4  22 o 2.75301  0.142318  7.5908       0.783607 7.60833      1.13124  7.57462      1.08649  2.75383  0.205394  2.74805  0.197684  
1 1 1 31 4  23 o 5.32459  0.0915181 28.3749      0.974592 29.2214      1.43294  27.6463      1.32943  5.40099  0.132655  5.25381  0.126521  
1 1 1 31 4  24 o 3.0141   0.134268  9.10354      0.809394 7.61486      1.15559  10.5372      1.13403  2.75254  0.209914  3.2404   0.174982  
1 1 1 31 4  25 o 2.29927  0.167246  5.30714      0.769088 5.24252      1.0708   5.376        1.10533  2.28095  0.234727  2.30946  0.239305  
1 1 1 31 4  26 o 1.41486  0.283439  2.09741      0.773753 1.72316      1.05254  2.53749      1.14135  1.28771  0.381762  1.54522  0.373017  
1 1 1 31 4  27 o 3.7274   0.121737  13.933       0.907529 14.2198      1.28837  13.6506      1.27856  3.76035  0.17131   3.68404  0.173527  
1 1 1 31 4  28 o 2.48228  0.178503  6.20442      0.886192 7.79429      1.23807  4.53402      1.26904  2.77696  0.222918  2.1088   0.30089   
1 1 1 31 4  29 o 5.91611  0.102614  35.0976      1.21415  34.0343      1.62491  36.4418      1.82692  5.81903  0.139621  6.01855  0.151774  
1 1 1 31 4  30 f 2.66586  0.168465  7.16842      0.898209 7.28333      1.2747   7.05511      1.26586  2.67565  0.238204  2.63298  0.240386  
1 1 1 31 4  31 o 0.769527 0.323672  0.121914     0.846981 -0.120702    1.19834  0.364107     1.19729  0.855262 0.372871  0.945384 0.390431  
1 1 1 31 4  32 o 1.36781  0.32894   2.02386      0.890161 2.37709      1.26146  1.6735       1.25631  1.4706   0.412362  1.26999  0.422562  
1 1 1 31 4  33 o 2.20208  0.198561  4.93905      0.874494 3.78795      1.23209  6.10762      1.2414   1.87033  0.342104  2.43453  0.254957  
1 1 1 31 4  34 o 3.10024  0.15219   9.73461      0.943649 9.00126      1.33751  10.4614      1.33155  2.95853  0.226043  3.19614  0.208306  
1 1 1 31 4  35 o 1.68834  0.270242  2.97957      0.912519 3.89481      1.29588  2.07939      1.28518  1.87463  0.35844   1.35738  0.425876  
1 1 1 31 4  36 f 1.28428  0.351657  1.86244      0.929405 2.2015       1.29309  1.50009      1.33676  1.37823  0.426142  1.19636  0.433269  
1 1 1 31 4  37 o 2.01673  0.248861  4.27262      1.00377  4.6369       1.38376  3.86805      1.45826  2.06081  0.335733  1.81713  0.41085   
1 1 1 31 4  38 o 1.88914  0.271049  3.83191      1.0241   3.94124      1.40243  3.707        1.49896  1.82189  0.395957  1.73954  0.432219  
1 1 1 31 4  39 o 2.56419  0.206795  6.92278      1.06052  8.63791      1.57201  5.49017      1.43671  2.8062   0.280096  2.20289  0.326097  
1 1 1 31 4  40 o 1.08746  0.379566  1.43756      1.01761  0.230529     1.47306  2.53941      1.40742  0.906473 0.40291   1.367    0.447252  
1 1 1 31 4  41 o 2.16762  0.240245  5.21075      1.04152  7.07029      1.42155  3.05572      1.53033  2.47449  0.287241  1.42836  0.466374  
1 1 1 31 4  42 o 1.10483  0.391424  1.78022      1.08572  1.85902      1.56714  1.70748      1.50559  1.08734  0.447524  1.06198  0.43813   
1 1 1 31 4  43 o 1.09213  0.403054  1.92972      1.16175  1.18538      1.74704  2.5198       1.5555   0.941253 0.427422  1.15728  0.456616  
1 1 1 31 4  44 o 1.60222  0.400805  4.32565      1.28241  4.00472      1.74885  4.69893      1.88611  1.24719  0.486193  1.317    0.506655  
1 1 1 31 5  0  o 14.3467  0.14522   205.922      4.16589  205.922      4.16589  205.922      4.16589  14.3483  0.102663  ?        ?         
1 1 1 31 5  1  o 7.62207  0.0727561 58.1004      1.1091   56.1596      1.55545  60.1077      1.5819   7.49337  0.103789  7.75231  0.102027  
1 1 1 31 5  2  o 18.4916  0.131347  342.027      4.85764  345.751      6.8603   338.283      6.87923  18.5897  0.184519  18.3877  0.187061  
1 1 1 31 5  3  o 26.2725  0.180535  690.573      9.48618  692.736      13.3025  688.335      13.5314  26.3073  0.252828  26.2231  0.258006  
1 1 1 31 5  4  o 10.3567  0.0760492 107.27       1.57524  105.936      2.15713  108.795      2.30574  10.2917  0.1048    10.4295  0.110539  
1 1 1 31 5  5  o 9.34044  0.0747529 87.2509      1.39645  87.2565      1.90845  87.2445      2.04877  9.34038  0.102161  9.33963  0.109681  
1 1 1 31 5  6  o 18.7113  0.133248  350.205      4.9865   353.321      7.03011  347.05       7.07405  18.7919  0.187052  18.6242  0.189916  
1 1 1 31 5  7  o 8.03304  0.0661713 64.534       1.06311  65.6518      1.54537  63.5297      1.46481  8.10202  0.0953695 7.97004  0.0918945 
1 1 1 31 5  8  o 14.9318  0.106442  222.995      3.17873  219.011      4.38116  227.424      4.61907  14.7965  0.148047  15.0779  0.153174  
1 1 1 31 5  9  o 34.8785  0.236778  1217.61      16.5169  1219.61      23.4052  1215.63      23.3119  34.8906  0.335409  34.8338  0.334617  
1 1 1 31 5  10 o 4.90224  0.0657646 24.0338      0.644787 23.3342      0.880967 24.8409      0.946265 4.83019  0.0911938 4.98366  0.0949367 
1 1 1 31 5  11 o 12.1512  0.0918329 147.676      2.23176  147.588      3.15683  147.764      3.15554  12.1466  0.129947  12.1538  0.129817  
1 1 1 31 5  12 o 9.99444  0.0812622 99.9026      1.62434  97.38        2.21783  102.821      2.38567  9.86683  0.112388  10.1386  0.117653  
1 1 1 31 5  13 o 10.2905  0.0858085 105.912      1.76603  104.129      2.66858  107.3        2.35566  10.2025  0.130781  10.3571  0.113722  
1 1 1 31 5  14 o 4.6498   0.0817002 21.624       0.759779 22.5988      1.07911  20.6657      1.06992  4.75311  0.113517  4.54522  0.117698  
1 1 1 31 5  15 o 12.7576  0.101241  162.8        2.58319  164.848      3.78704  161.018      3.5326   12.8357  0.147519  12.6861  0.139231  
1 1 1 31 5  16 o 11.8304  0.106404  140.003      2.5176   144.552      3.74469  136.252      3.40093  12.0188  0.155785  11.6692  0.145723  
1 1 1 31 5  17 o 11.4314  0.101846  130.72       2.32848  132.283      3.28645  129.145      3.29953  11.4977  0.142918  11.3603  0.145222  
1 1 1 31 5  18 o 12.1577  0.103267  147.873      2.51098  148.565      3.46671  147.108      3.64189  12.1838  0.142267  12.1233  0.150202  
1 1 1 31 5  19 o 4.24416  0.100113  18.0216      0.849795 19.4368      1.19884  16.5923      1.20477  4.40675  0.136023  4.07121  0.147962  
1 1 1 31 5  20 o 9.95129  0.092169  99.0758      1.8344   102.208      2.71067  96.4292      2.49162  10.1047  0.13413   9.81537  0.126924  
1 1 1 31 5  21 o 1.81118  0.201171  3.28923      0.728716 3.74362      1.0415   2.85344      1.01996  1.9301   0.269804  1.6562   0.319315  
1 1 1 31 5  22 o 5.44715  0.0879428 29.6902      0.958076 30.5172      1.39603  28.9539      1.31725  5.52061  0.126438  5.37756  0.122476  
1 1 1 31 5  23 o 8.57082  0.0878712 73.5183      1.50626  75.799       2.24504  71.6512      2.0313   8.69874  0.129044  8.45837  0.120076  
1 1 1 31 5  24 o 6.02818  0.088027  36.3728      1.06128  35.1938      1.47007  37.656       1.53372  5.92694  0.124016  6.13067  0.125086  
1 1 1 31 5  25 o 4.48201  0.0979127 20.116       0.877692 19.1167      1.2202   21.1873      1.26341  4.36614  0.139734  4.59673  0.137425  
1 1 1 31 5  26 o 2.45657  0.167261  6.06314      0.821776 7.04159      1.12034  4.92359      1.20906  2.64355  0.2119    2.20491  0.274175  
1 1 1 31 5  27 o 3.17519  0.132052  10.1167      0.838581 10.1813      1.18561  10.052       1.18626  3.1799   0.186422  3.15949  0.187729  
1 1 1 31 5  28 o 2.62861  0.161378  6.95026      0.848398 7.34896      1.19957  6.55124      1.20007  2.69592  0.222478  2.54366  0.235893  
1 1 1 31 5  29 o 3.94754  0.124532  15.6497      0.983187 14.8456      1.30884  16.691       1.48948  3.83779  0.17052   4.06687  0.183124  
1 1 1 31 5  30 o 0.876954 0.334553  0.573565     0.816967 -0.444749    1.14235  1.63965      1.16884  0.783902 0.351433  1.25862  0.407474  
1 1 1 31 5  31 o 5.53926  0.106644  30.809       1.18146  31.9654      1.69421  29.7143      1.64839  5.63075  0.150443  5.42846  0.151829  
1 1 1 31 5  32 o 2.25289  0.199968  5.15596      0.90101  3.86082      1.25248  6.5451       1.29714  1.8952   0.34303   2.52546  0.256812  
1 1 1 31 5  33 o 3.14775  0.147768  10.016       0.930271 9.96987      1.3039   10.0637      1.32762  3.12408  0.208686  3.13784  0.21155   
1 1 1 31 5  34 o 0.74616  0.323196  -0.0262506   0.88917  -0.477534    1.24856  0.438154     1.26658  0.804736 0.363764  0.96471  0.40018   
1 1 1 31 5  35 o 1.77994  0.258101  3.30245      0.918807 3.50832      1.28548  3.08743      1.31376  1.76682  0.375121  1.64358  0.402357  
1 1 1 31 5  36 o 1.18984  0.360861  1.58494      0.933282 1.58021      1.30638  1.58986      1.33376  1.21174  0.429356  1.21702  0.43357   
1 1 1 31 5  37 o 1.49014  0.336773  2.51588      0.980159 0.801291     1.33775  4.50318      1.44022  1.02957  0.41699   1.9822   0.376887  
1 1 1 31 5  38 o 2.32544  0.223312  5.69069      1.0386   6.89315      1.43551  4.36982      1.50453  2.52078  0.284735  1.90678  0.406551  
1 1 1 31 5  39 o 0.605545 0.289621  -1.05953     0.98613  -2.57029     1.41478  0.367984     1.37525  0.62692  0.309436  0.926056 0.401542  
1 1 1 31 5  40 f 0.888308 0.361464  0.68863      1.01079  0.563239     1.41905  0.817773     1.44012  0.941239 0.408001  0.986488 0.418827  
1 1 1 31 5  41 o 2.11014  0.250065  4.98714      1.05534  5.44974      1.43001  4.43385      1.56393  2.11448  0.338147  1.77152  0.442291  
1 1 1 31 5  42 o 0.55035  0.271237  -1.64397     1.07679  -2.21591     1.51471  -1.05962     1.53105  0.632139 0.313817  0.715992 0.346532  
1 1 1 31 5  43 o 1.21395  0.41095   2.50494      1.18822  2.31588      1.70353  2.68406      1.65817  1.07133  0.455206  1.13927  0.463174  
1 1 1 31 5  44 o 0.553151 0.275237  -1.64236     1.19929  -1.82277     1.62711  -1.42776     1.77456  0.629155 0.314101  0.672917 0.334827  
1 1 1 31 6  0  o 9.69583  0.127732  94.0693      2.47597  94.0693      2.47597  94.0693      2.47597  9.69738  0.0902881 ?        ?         
1 1 1 31 6  1  o 5.42994  0.0613041 29.4859      0.665755 29.2764      0.989573 29.6591      0.899849 5.41043  0.0914505 5.44574  0.0826196 
1 1 1 31 6  2  o 13.6781  0.0960465 187.115      2.62746  186.438      3.70512  187.799      3.72655  13.6523  0.135695  13.7021  0.135985  
1 1 1 31 6  3  o 20.0349  0.141939  401.518      5.68746  402.645      7.97001  400.348      8.11862  20.0601  0.198654  20.0025  0.20294   
1 1 1 31 6  4  o 14.3546  0.102997  206.086      2.95694  204.641      4.15548  207.567      4.20852  14.303   0.145266  14.4049  0.14608   
1 1 1 31 6  5  o 26.0862  0.181331  680.82       9.46045  678.215      13.043   683.711      13.7426  26.0302  0.250536  26.1342  0.262924  
1 1 1 31 6  6  o 11.1117  0.0841375 123.484      1.86983  121.981      2.64792  124.978      2.64077  11.0433  0.119888  11.1782  0.118122  
1 1 1 31 6  7  o 8.69215  0.0693978 75.559       1.20643  74.915       1.71674  76.1872      1.69576  8.65469  0.0991796 8.7279   0.097146  
1 1 1 31 6  8  o 4.47389  0.068499  20.0172      0.612914 20.4339      0.908125 19.6685      0.830632 4.52002  0.100456  4.4346   0.0936534 
1 1 1 31 6  9  o 26.2424  0.179343  689.041      9.41277  691.123      13.3532  686.984      13.2705  26.2745  0.25411   26.1958  0.253295  
1 1 1 31 6  10 o 17.1166  0.120075  293.056      4.11055  291.064      5.78662  295.086      5.84013  17.0559  0.169636  17.1734  0.170035  
1 1 1 31 6  11 o 6.84576  0.0667726 46.8687      0.914219 46.1432      1.27664  47.6324      1.30979  6.79226  0.0939779 6.90099  0.094899  
1 1 1 31 6  12 o 13.6471  0.101376  186.284      2.76698  185.391      3.8146   187.275      4.01966  13.613   0.140109  13.6817  0.146899  
1 1 1 31 6  13 o 3.62427  0.0919953 13.1378      0.666831 12.9108      0.936459 13.3712      0.949765 3.59248  0.130336  3.65599  0.129892  
1 1 1 31 6  14 o 11.9028  0.0976525 141.71       2.32468  142.949      3.22361  140.368      3.35556  11.9535  0.13484   11.8448  0.141647  
1 1 1 31 6  15 o 9.21556  0.0826536 84.942       1.5234   84.0027      2.10666  85.9716      2.20556  9.16367  0.114946  9.27032  0.118958  
1 1 1 31 6  16 o 9.63371  0.0910816 92.8314      1.75491  92.2145      2.49116  93.4392      2.47258  9.60042  0.129742  9.66403  0.127927  
1 1 1 31 6  17 o 7.89926  0.0837651 62.4134      1.32336  62.5016      1.87723  62.3263      1.86587  7.90386  0.118754  7.89279  0.118201  
1 1 1 31 6  18 f 6.76485  0.0855636 45.7777      1.15765  44.2135      1.58482  47.5671      1.69506  6.64725  0.119209  6.89461  0.122926  
1 1 1 31 6  19 o 15.8597  0.12428   251.729      3.9421   254.383      5.72107  249.33       5.43952  15.9363  0.179498  15.7783  0.172374  
1 1 1 31 6  20 o 1.60649  0.225097  2.58859      0.723232 1.71216      1.02366  3.46212      1.02196  1.29033  0.374635  1.85648  0.27524   
1 1 1 31 6  21 o 5.58958  0.088063  31.2605      0.98447  32.233       1.44691  30.4222      1.34336  5.67412  0.127501  5.51271  0.121842  
1 1 1 31 6  22 o 1.99742  0.177521  4.00073      0.709167 3.86885      0.995465 4.13663      1.01053  1.96137  0.253767  2.02832  0.249105  
1 1 1 31 6  23 o 8.44904  0.0878267 71.4459      1.4841   73.7873      2.09876  69.104       2.09891  8.58304  0.122262  8.30574  0.126353  
1 1 1 31 6  24 o 4.19185  0.103718  17.5956      0.869544 16.8179      1.19492  18.4709      1.26775  4.09543  0.145884  4.29184  0.147694  
1 1 1 31 6  25 o 4.35292  0.100456  18.9762      0.874557 18.4651      1.19633  19.5629      1.2817   4.29088  0.139404  4.41606  0.145118  
1 1 1 31 6  26 o 3.5577   0.123188  12.6911      0.876529 12.1527      1.19258  13.3236      1.29266  3.47702  0.171494  3.64     0.177564  
1 1 1 31 6  27 o 1.09866  0.325743  1.25144      0.766287 0.428643     1.07639  2.09693      1.09114  0.931145 0.375313  1.40387  0.379535  
1 1 1 31 6  28 o 3.25216  0.135526  10.6223      0.881502 8.97986      1.17244  12.7579      1.33697  2.98313  0.196512  3.55709  0.18793   
1 1 1 31 6  29 o 2.15726  0.203166  4.70826      0.876567 5.54931      1.21374  3.79134      1.2673   2.3336   0.260057  1.8876   0.34881   
1 1 1 31 6  30 o 4.39997  0.110815  19.4368      0.975166 19.4338      1.3657   19.4399      1.39288  4.39096  0.155513  4.39094  0.158609  
1 1 1 31 6  31 o 1.41222  0.324512  2.14673      0.897863 2.23764      1.28543  2.06011      1.25467  1.43407  0.420925  1.38159  0.418285  
1 1 1 31 6  32 o 1.86053  0.232591  3.53648      0.865487 3.24114      1.18864  3.86976      1.26268  1.72833  0.356048  1.89597  0.345813  
1 1 1 31 6  33 o 1.09309  0.345476  1.26528      0.843921 2.09743      1.19578  0.439499     1.1912   1.37601  0.406652  0.948802 0.390282  
1 1 1 31 6  34 o 0.927628 0.347602  0.742366     0.87065  -0.804015    1.22693  2.31088      1.23568  0.752439 0.347428  1.42952  0.410499  
1 1 1 31 6  35 o 3.05191  0.157068  9.46471      0.958715 9.02871      1.33248  9.93268      1.38045  2.95575  0.225404  3.10145  0.222549  
1 1 1 31 6  36 o 1.7428   0.277029  3.21362      0.965613 3.84319      1.32914  2.50993      1.4052   1.83978  0.374224  1.45889  0.442861  
1 1 1 31 6  37 o 0.746399 0.326611  -0.0361135   0.926489 -0.947001    1.28198  0.959798     1.34048  0.73995  0.346521  1.0611   0.42223   
1 1 1 31 6  38 o 0.917404 0.362868  0.715496     0.984604 0.904185     1.35424  0.503907     1.43407  1.03098  0.418769  0.974046 0.415872  
1 1 1 31 6  39 o 0.723709 0.32195   -0.0988549   0.942353 1.37926      1.33798  -1.55381     1.32746  1.10982  0.426777  0.675148 0.326054  
1 1 1 31 6  40 o 1.11749  0.391037  1.57557      1.08062  0.708311     1.49866  2.51483      1.55963  0.971332 0.420143  1.32566  0.469189  
1 1 1 31 6  41 o 0.80771  0.345955  0.41898      0.997978 1.56885      1.3468   -0.981207    1.48618  1.08677  0.426045  0.742886 0.355366  
1 1 1 31 6  42 o 0.908884 0.375876  1.03559      1.11209  2.23262      1.63131  -0.00372915  1.52005  1.12802  0.459137  0.806484 0.377617  
1 1 1 31 6  43 o 0.597741 0.292706  -1.09898     1.17939  -0.121392    1.75709  -1.90053     1.59105  0.775517 0.374629  0.634148 0.315745  
1 1 1 31 6  44 o 0.654069 0.314577  -0.360472    1.20476  1.01477      1.65247  -1.9209      1.76022  0.835909 0.39181   0.64286  0.32143   
1 1 1 31 7  0  o 11.8317  0.120045  140.047      2.84     140.047      2.84     140.047      2.84     11.8329  0.0848657 ?        ?         
1 1 1 31 7  1  o 10.0188  0.0749236 100.385      1.50129  100.032      2.13955  100.727      2.10711  10.0007  0.10697   10.0354  0.104983  
1 1 1 31 7  2  o 16.3307  0.113225  266.743      3.69808  266.154      5.22272  267.334      5.23707  16.3111  0.160097  16.3472  0.160182  
1 1 1 31 7  3  o 8.48398  0.0765193 71.9843      1.29838  71.2594      1.84437  72.6964      1.82811  8.44076  0.109254  8.52548  0.107214  
1 1 1 31 7  4  o 8.86614  0.0693722 78.6141      1.23013  77.1672      1.73363  80.0812      1.74576  8.78384  0.0986831 8.94816  0.0975484 
1 1 1 31 7  5  f 12.5316  0.0897994 157.06       2.25066  156.807      3.11318  157.338      3.25757  12.5208  0.124321  12.5418  0.129868  
1 1 1 31 7  6  o 16.7989  0.119481  282.262      4.01428  281.658      5.6669   282.87       5.68726  16.779   0.168869  16.815   0.169112  
1 1 1 31 7  7  o 29.8193  0.204761  889.776      12.2117  884.311      17.3673  895.121      17.1742  29.717   0.292212  29.8988  0.287205  
1 1 1 31 7  8  o 6.22436  0.0638435 38.7454      0.79477  38.4641      1.07489  39.0846      1.18046  6.20155  0.0866629 6.25129  0.0944177 
1 1 1 31 7  9  o 11.0774  0.0836891 122.725      1.85412  122.54       2.6001   122.916      2.6447   11.0684  0.117457  11.0853  0.119289  
1 1 1 31 7  10 o 3.10996  0.0792307 9.67307      0.492809 9.40974      0.698057 9.93472      0.695823 3.06713  0.113796  3.15155  0.110394  
1 1 1 31 7  11 o 4.62852  0.0673691 21.4253      0.623639 22.5195      0.898921 20.4099      0.865923 4.74502  0.0947225 4.5173   0.0958452 
1 1 1 31 7  12 o 3.0379   0.0931584 9.23057      0.566012 9.01706      0.812613 9.43177      0.788841 3.00225  0.135334  3.07057  0.128452  
1 1 1 31 7  13 o 10.0593  0.0902125 101.208      1.81495  97.4129      2.4885   105.522      2.65282  9.86798  0.12609   10.2704  0.129149  
1 1 1 31 7  14 o 4.92465  0.0818428 24.2563      0.806094 24.5629      1.1425   23.9523      1.13749  4.95526  0.115282  4.89327  0.11623   
1 1 1 31 7  15 o 12.2986  0.0966488 151.296      2.3773   150.597      3.37088  151.988      3.3532   12.2685  0.137379  12.3251  0.136031  
1 1 1 31 7  16 o 9.75504  0.0954718 95.1879      1.86266  93.2734      2.58186  97.266       2.68986  9.6551   0.133704  9.85947  0.13641   
1 1 1 31 7  17 o 4.60824  0.0911774 21.2425      0.840335 22.2845      1.19137  20.2108      1.18548  4.71923  0.126225  4.49417  0.131891  
1 1 1 31 7  18 o 5.17934  0.0895299 26.8354      0.927411 24.8848      1.24399  29.2761      1.39149  4.98667  0.124731  5.40866  0.128635  
1 1 1 31 7  19 o 4.15067  0.0990712 17.2372      0.822424 15.7133      1.13024  18.9522      1.19897  3.96183  0.142641  4.35119  0.137775  
1 1 1 31 7  20 o 6.7566   0.0840061 45.6719      1.13519  45.5397      1.64371  45.7925      1.56966  6.74513  0.121844  6.76413  0.116028  
1 1 1 31 7  21 o 2.85274  0.129529  8.14837      0.739027 7.95481      1.05429  8.33536      1.03623  2.81668  0.18715   2.88357  0.179678  
1 1 1 31 7  22 o 1.33209  0.273897  1.85254      0.704689 2.52945      1.0125   1.21659      0.981391 1.55232  0.335632  1.12443  0.373476  
1 1 1 31 7  23 o 1.4657   0.265329  2.23173      0.749221 2.88156      1.02558  1.48802      1.09716  1.66093  0.320162  1.22436  0.394623  
1 1 1 31 7  24 f 4.75614  0.0930537 22.6472      0.885153 23.3948      1.22783  21.8381      1.27722  4.83159  0.127063  4.66727  0.136828  
1 1 1 31 7  25 o 4.44402  0.0988373 19.7791      0.878471 18.4245      1.19437  21.3754      1.29661  4.2859   0.139337  4.61627  0.140439  
1 1 1 31 7  26 o 5.27802  0.0954804 27.9041      1.0079   28.2063      1.43198  27.6075      1.41886  5.30206  0.13504   5.24546  0.135247  
1 1 1 31 7  27 o 4.18301  0.10583   17.5385      0.885378 19.2887      1.24475  15.7463      1.25961  4.38274  0.142006  3.95778  0.15913   
1 1 1 31 7  28 o 2.23524  0.189643  5.04064      0.847794 5.18789      1.13698  4.85626      1.27233  2.26016  0.251526  2.18096  0.29169   
1 1 1 31 7  29 o 2.89178  0.156252  8.42204      0.903692 7.6938       1.27768  9.15104      1.27835  2.75234  0.232108  3.00541  0.212674  
1 1 1 31 7  30 o 3.12955  0.143838  9.8626       0.900298 10.5254      1.27455  9.20257      1.27188  3.22282  0.197738  3.0107   0.211227  
1 1 1 31 7  31 f 3.68241  0.137539  13.6531      1.01295  13.4396      1.45036  13.8565      1.41533  3.63968  0.199243  3.69774  0.191378  
1 1 1 31 7  32 o 1.64407  0.258015  2.77561      0.84839  1.12975      1.17521  4.5668       1.226    1.11177  0.40589   2.10077  0.291799  
1 1 1 31 7  33 o 1.69177  0.254601  2.95644      0.861453 3.35024      1.21702  2.561        1.21954  1.74562  0.360855  1.51268  0.39779   
1 1 1 31 7  34 o 1.7946   0.243804  3.33345      0.875062 3.71468      1.2388   2.95379      1.23625  1.83732  0.349717  1.61921  0.386543  
1 1 1 31 7  35 o 2.33066  0.195838  5.5732       0.912861 4.86951      1.25912  6.3529       1.32539  2.14491  0.293515  2.46068  0.269313  
1 1 1 31 7  36 o 1.37849  0.34742   2.15011      0.958144 1.71924      1.31048  2.64497      1.40443  1.24614  0.431139  1.49547  0.440307  
1 1 1 31 7  37 o 0.603396 0.286545  -0.98754     0.936116 -1.39901     1.30305  -0.548687    1.34572  0.698896 0.333946  0.810035 0.369832  
1 1 1 31 7  38 o 1.03015  0.372295  1.14928      0.986533 0.628763     1.37316  1.70456      1.41827  0.978921 0.411953  1.2059   0.445275  
1 1 1 31 7  39 o 0.761813 0.331746  0.109544     0.946316 -0.615093    1.34846  0.812724     1.32835  0.776863 0.360811  0.988719 0.409961  
1 1 1 31 7  40 o 0.842472 0.35568   0.496916     1.02911  0.527257     1.41185  0.462522     1.5032   0.922418 0.403413  0.928559 0.410576  
1 1 1 31 7  41 o 0.692093 0.315101  -0.155164    0.963209 -0.202964    1.32475  -0.101552    1.40298  0.780984 0.360762  0.810418 0.373173  
1 1 1 31 7  42 o 1.44828  0.386749  3.06117      1.14173  4.40017      1.69928  1.95926      1.54151  1.56918  0.489182  1.08088  0.444187  
1 1 1 31 7  43 o 0.94368  0.386795  1.53165      1.16588  1.22337      1.67631  1.82049      1.62261  0.886165 0.407991  0.961635 0.425711  
1 1 1 31 7  44 o 0.658181 0.316573  -0.273043    1.22055  -0.435629    1.7159   -0.106524    1.73652  0.711348 0.349769  0.734605 0.358676  
1 1 1 31 8  0  o 7.13229  0.0830384 50.8929      1.18415  50.8929      1.18415  50.8929      1.18415  7.1331   0.0587013 ?        ?         
1 1 1 31 8  1  o 17.3355  0.118296  300.583      4.10143  300.966      5.74639  300.186      5.85575  17.3447  0.165652  17.3221  0.169026  
1 1 1 31 8  2  o 17.5071  0.122124  306.567      4.27607  308.198      6.14568  305.037      5.95346  17.5515  0.175076  17.4614  0.170474  
1 1 1 31 8  3  o 15.3208  0.111935  234.771      3.42987  234.97       4.96816  234.59       4.74096  15.3257  0.162086  15.3135  0.154796  
1 1 1 31 8  4  o 24.5498  0.171089  602.957      8.40039  605.822      11.9338  600.144      11.8268  24.6024  0.242533  24.4869  0.241494  
1 1 1 31 8  5  o 4.57613  0.0634556 20.9423      0.580762 20.1348      0.849058 21.6522      0.796137 4.48687  0.0946159 4.65293  0.0855522 
1 1 1 31 8  6  o 5.32606  0.0602152 28.3685      0.641419 27.6893      0.90255  29.0616      0.911728 5.26175  0.0857652 5.39057  0.0845669 
1 1 1 31 8  7  o 11.7944  0.0861905 139.126      2.03314  136.598      2.89969  141.571      2.85149  11.686   0.124067  11.8969  0.119842  
1 1 1 31 8  8  o 6.62176  0.0622243 43.8507      0.824069 43.276       1.16076  44.4348      1.17012  6.57798  0.0882305 6.66547  0.0877746 
1 1 1 31 8  9  o 12.9719  0.0929924 168.3        2.41258  165.835      3.40593  170.783      3.41792  12.8755  0.132264  13.0662  0.130792  
1 1 1 31 8  10 o 1.12397  0.214483  1.30663      0.464862 0.533079     0.65639  2.08502      0.658442 0.823505 0.303078  1.44318  0.228121  
1 1 1 31 8  11 o 19.0803  0.136066  364.202      5.19237  355.882      7.04564  374.092      7.68178  18.8578  0.18681   19.3333  0.198667  
1 1 1 31 8  12 o 8.50758  0.0810824 72.3894      1.37963  73.7829      1.90196  70.8419      2.00424  8.58852  0.110727  8.41544  0.119081  
1 1 1 31 8  13 o 2.38827  0.129315  5.70613      0.61768  6.46436      0.857114 4.88689      0.89093  2.54163  0.168615  2.20954  0.20161   
1 1 1 31 8  14 o 8.37121  0.078614  70.0886      1.31619  70.4541      1.8796   69.7369      1.84366  8.39228  0.111984  8.3495   0.110405  
1 1 1 31 8  15 o 17.7293  0.133915  314.496      4.74847  318.222      7.08639  311.459      6.39708  17.8284  0.198739  17.6396  0.181327  
1 1 1 31 8  16 o 5.96135  0.0887425 35.547       1.05805  35.8625      1.54261  35.2668      1.45394  5.98686  0.128833  5.93709  0.122446  
1 1 1 31 8  17 o 9.01247  0.0862308 81.2495      1.55431  83.526       2.19915  78.9774      2.1971   9.1365   0.12035   8.88409  0.123653  
1 1 1 31 8  18 o 7.08913  0.0882232 50.2748      1.25085  48.3262      1.72711  52.4245      1.81403  6.94908  0.124269  7.23769  0.125318  
1 1 1 31 8  19 o 7.10355  0.0821242 50.4799      1.16675  50.485       1.64423  50.4747      1.65589  7.10257  0.115749  7.10181  0.116582  
1 1 1 31 8  20 o 8.77177  0.0836601 76.9797      1.46769  80.4193      2.11382  73.7779      2.03945  8.96348  0.117913  8.58533  0.118775  
1 1 1 31 8  21 o 2.84981  0.12785   8.1321       0.728695 8.88816      1.00709  7.30132      1.05568  2.97784  0.169098  2.6979   0.195649  
1 1 1 31 8  22 o 4.27911  0.0975345 18.3288      0.834722 17.6377      1.17427  19.0348      1.18678  4.19551  0.139944  4.35875  0.136137  
1 1 1 31 8  23 o 4.43764  0.0975048 19.7146      0.865382 19.9908      1.19551  19.4105      1.25427  4.4664   0.133834  4.40048  0.142515  
1 1 1 31 8  24 o 3.61423  0.110128  13.0848      0.796052 13.3597      1.11936  12.8036      1.13233  3.64907  0.153376  3.57192  0.158504  
1 1 1 31 8  25 f 5.31086  0.0943679 28.2459      1.00235  27.5693      1.37109  29.0227      1.46904  5.24332  0.130747  5.37908  0.136551  
1 1 1 31 8  26 o 4.19935  0.102363  17.67        0.859713 17.2057      1.21379  18.1374      1.21786  4.13945  0.146612  4.25045  0.143262  
1 1 1 31 8  27 o 2.91216  0.137276  8.51523      0.799539 9.50078      1.13457  7.54294      1.12691  3.07111  0.184716  2.73401  0.206091  
1 1 1 31 8  28 o 0.776139 0.322822  0.165359     0.827679 0.753461     1.0925   -0.626922    1.26805  1.00879  0.386286  0.808276 0.365913  
1 1 1 31 8  29 o 1.22419  0.334398  1.59996      0.841659 1.72435      1.20864  1.48286      1.17274  1.28859  0.414073  1.21601  0.408265  
1 1 1 31 8  30 o 1.84729  0.234305  3.47881      0.86566  3.85316      1.22619  3.10685      1.22228  1.92853  0.317908  1.69102  0.371495  
1 1 1 31 8  31 o 2.57859  0.178205  6.7288       0.919034 6.50611      1.29725  6.95319      1.30218  2.51925  0.257468  2.60624  0.249821  
1 1 1 31 8  32 o 2.37983  0.183844  5.74719      0.875038 5.54547      1.2072   5.97051      1.27019  2.32068  0.260095  2.40697  0.263856  
1 1 1 31 8  33 o 1.828    0.236652  3.44045      0.865197 3.39801      1.22932  3.48211      1.21791  1.75561  0.362474  1.78151  0.3544    
1 1 1 31 8  34 o 1.45267  0.309073  2.30702      0.871103 1.77633      1.23844  2.82668      1.22551  1.27361  0.419545  1.58068  0.389631  
1 1 1 31 8  35 f 0.848    0.341238  0.454211     0.887748 0.139025     1.24454  0.780712     1.26668  0.892886 0.384496  1.02318  0.409317  
1 1 1 31 8  36 o 2.26118  0.216167  5.29657      0.977584 4.49178      1.31726  6.28325      1.45854  2.03909  0.323002  2.42361  0.300902  
1 1 1 31 8  37 o 2.22352  0.222087  5.16541      0.987631 5.63498      1.34534  4.61656      1.45448  2.2855   0.29432   2.0008   0.37728   
1 1 1 31 8  38 o 1.46476  0.341528  2.5189       0.983031 2.37516      1.40019  2.65862      1.38045  1.36711  0.446103  1.44477  0.439018  
1 1 1 31 8  39 f 0.614513 0.290024  -0.812086    0.944216 -0.060327    1.34917  -1.53376     1.3219   0.845228 0.380311  0.671382 0.32443   
1 1 1 31 8  40 o 0.880497 0.364578  0.683745     1.04823  -0.0318393   1.40533  1.58114      1.57377  0.835621 0.380491  1.11001  0.451248  
1 1 1 31 8  41 o 1.42362  0.364515  2.70672      1.04236  2.78297      1.45098  2.62541      1.49841  1.33012  0.454121  1.28303  0.459305  
1 1 1 31 8  42 o 0.592153 0.289333  -1.28368     1.13581  -0.17603     1.65586  -2.26794     1.5609   0.804854 0.381687  0.633529 0.315062  
1 1 1 31 8  43 o 0.966082 0.397594  1.72607      1.23688  1.91624      1.7561   1.53885      1.74242  0.951471 0.430681  0.908809 0.417382  
1 1 1 31 8  44 o 0.894683 0.382064  1.62367      1.21081  2.76782      1.64389  0.266926     1.79011  1.00181  0.436743  0.743945 0.363438  
1 1 1 31 9  0  o 14.7368  0.145947  217.271      4.30063  217.271      4.30063  217.271      4.30063  14.7384  0.103177  ?        ?         
1 1 1 31 9  1  o 1.90888  0.0979453 3.64434      0.373931 3.61256      0.553979 3.67093      0.506802 1.90036  0.145756  1.91571  0.132275  
1 1 1 31 9  2  o 6.99561  0.0592041 48.9412      0.828338 48.0622      1.17273  49.8163      1.17017  6.93231  0.084584  7.05769  0.0829006 
1 1 1 31 9  3  o 22.2024  0.15181   493.119      6.7411   498.318      9.63676  488.138      9.43321  22.315   0.215925  22.0861  0.213556  
1 1 1 31 9  4  o 6.53831  0.0589713 42.7518      0.771146 41.7949      1.08049  43.7453      1.10092  6.46454  0.0835709 6.61366  0.0832309 
1 1 1 31 9  5  o 25.8501  0.176184  668.56       9.10876  672.904      12.9749  664.338      12.7905  25.9271  0.250219  25.7617  0.248247  
1 1 1 31 9  6  o 19.8374  0.139497  393.653      5.53452  391.479      7.96844  395.68       7.69282  19.7789  0.201438  19.8853  0.19343   
1 1 1 31 9  7  o 21.0188  0.142856  441.951      6.00532  437.738      8.51517  446.119      8.47062  20.9143  0.203573  21.1138  0.200594  
1 1 1 31 9  8  o 6.17271  0.0611564 38.1051      0.755001 38.3402      1.06229  37.8651      1.07326  6.1915   0.0857861 6.153    0.0872144 
1 1 1 31 9  9  o 1.32376  0.171446  1.75339      0.453906 2.37606      0.668466 1.22065      0.618306 1.5407   0.216935  1.0839   0.282416  
1 1 1 31 9  10 o 12.9564  0.102071  167.905      2.64494  170.13       3.70891  165.603      3.77294  13.0406  0.142206  12.8657  0.146627  
1 1 1 31 9  11 o 10.4719  0.0895021 109.681      1.87452  111.084      2.66606  108.309      2.63614  10.5378  0.1265    10.4053  0.126673  
1 1 1 31 9  12 o 4.58859  0.0779068 21.0581      0.714964 19.5546      1.00334  22.6091      1.01906  4.42139  0.113465  4.75426  0.107174  
1 1 1 31 9  13 f 14.2839  0.10566   204.087      3.01847  201.211      4.1788   207.226      4.3648   14.1809  0.147339  14.3911  0.151649  
1 1 1 31 9  14 o 9.2618   0.0808586 85.7967      1.49779  85.9193      2.16436  85.6839      2.07487  9.26749  0.116772  9.25492  0.112095  
1 1 1 31 9  15 o 14.5453  0.116206  211.654      3.38049  214.132      4.93204  209.46       4.64255  14.6268  0.168597  14.4669  0.160454  
1 1 1 31 9  16 o 2.81852  0.13133   7.9491       0.740314 8.05775      1.07393  7.85072      1.02193  2.83674  0.189289  2.80019  0.182475  
1 1 1 31 9  17 o 16.4184  0.130546  269.771      4.28673  268.754      6.00142  270.83       6.12518  16.3813  0.183179  16.444   0.186244  
1 1 1 31 9  18 o 7.42085  0.0823532 55.0884      1.22226  53.6696      1.63684  56.8767      1.8376   7.32358  0.111751  7.53875  0.121877  
1 1 1 31 9  19 o 4.83717  0.0891188 23.4095      0.862166 23.6944      1.17749  23.0801      1.26587  4.86553  0.121004  4.80165  0.131816  
1 1 1 31 9  20 o 9.26098  0.0860241 85.8108      1.59333  88.3312      2.25398  83.2935      2.25265  9.39361  0.119974  9.12153  0.12348   
1 1 1 31 9  21 o 3.60509  0.10366   13.0089      0.747409 13.2763      1.04863  12.7328      1.06557  3.64034  0.144028  3.5648   0.149457  
1 1 1 31 9  22 o 2.92059  0.12799   8.54486      0.74761  8.91731      1.04787  8.15873      1.06695  2.98126  0.175743  2.85101  0.187117  
1 1 1 31 9  23 o 1.59348  0.220625  2.55456      0.703125 2.16068      0.97508  2.98123      1.01485  1.43104  0.344353  1.6902   0.311932  
1 1 1 31 9  24 o 3.8355   0.106772  14.7354      0.819045 13.403       1.13841  16.1652      1.17928  3.65453  0.155754  4.01426  0.146886  
1 1 1 31 9  25 o 2.02611  0.187493  4.1298       0.75976  3.19713      1.05365  5.14         1.09657  1.74777  0.312727  2.25571  0.243065  
1 1 1 31 9  26 f 3.2098   0.121895  10.3334      0.782516 10.0399      1.0917   10.6435      1.12222  3.15921  0.17278   3.25284  0.172499  
1 1 1 31 9  27 o 2.44989  0.162688  6.03789      0.797133 6.17786      1.10716  5.88725      1.14861  2.4716   0.223977  2.411    0.238203  
1 1 1 31 9  28 o 3.25926  0.137602  10.6781      0.896965 9.81541      1.20088  11.7667      1.349    3.11725  0.192618  3.41215  0.197676  
1 1 1 31 9  29 o 0.987593 0.336934  0.941721     0.798743 0.493278     1.14286  1.36993      1.11678  0.959031 0.386655  1.17487  0.398405  
1 1 1 31 9  30 o 3.77969  0.133542  14.3779      1.00949  17.2135      1.46783  11.8329      1.39058  4.12531  0.177906  3.41432  0.203639  
1 1 1 31 9  31 o 2.97544  0.157697  8.94003      0.938439 8.8779       1.30868  9.00579      1.34643  2.95114  0.221725  2.97107  0.22659   
1 1 1 31 9  32 o 2.94395  0.150177  8.76036      0.884226 8.18669      1.21128  9.4148       1.29375  2.83054  0.213967  3.0357   0.21309   
1 1 1 31 9  33 o 1.55137  0.289596  2.58928      0.865145 2.18258      1.21451  3.00826      1.23269  1.39518  0.409034  1.63955  0.382551  
1 1 1 31 9  34 o 1.66409  0.260923  2.88585      0.868399 1.18267      1.22281  4.61887      1.23347  1.11417  0.413044  2.09313  0.294646  
1 1 1 31 9  35 o 0.720577 0.317849  -0.133144    0.893578 0.985491     1.25092  -1.29872     1.2769   1.06148  0.411728  0.705781 0.334928  
1 1 1 31 9  36 o 2.05611  0.233639  4.41187      0.960775 4.28175      1.29588  4.5707       1.43174  1.98658  0.326158  2.00779  0.370458  
1 1 1 31 9  37 o 1.98019  0.247302  4.15375      0.979411 4.9463       1.33458  3.22872      1.44182  2.12508  0.314008  1.62346  0.435106  
1 1 1 31 9  38 f 1.45578  0.343838  2.50285      0.986347 2.95697      1.42273  2.08261      1.36865  1.51648  0.442108  1.28853  0.44105   
1 1 1 31 9  39 o 1.42652  0.336518  2.44489      0.945697 2.19593      1.32639  2.7023       1.34873  1.29166  0.434187  1.42595  0.434074  
1 1 1 31 9  40 o 1.13687  0.385098  1.69698      1.04342  1.71061      1.44964  1.68232      1.50305  1.12904  0.442135  1.12439  0.4472    
1 1 1 31 9  41 o 0.785621 0.345094  0.35011      1.04249  0.194683     1.46726  0.508562     1.48147  0.84193  0.385134  0.883853 0.398059  
1 1 1 31 9  42 o 0.691079 0.323513  -0.241223    1.11352  -0.017895    1.54758  -0.480955    1.6034   0.799097 0.375424  0.765252 0.366796  
1 1 1 31 9  43 o 0.901908 0.384003  1.4405       1.2167   1.81931      1.6986   1.04133      1.74363  0.929204 0.421819  0.845058 0.397447  
1 1 1 31 9  44 o 0.724797 0.33943   0.689479     1.23021  1.75361      1.66082  -0.604152    1.83118  0.827509 0.388815  0.668411 0.333631  
1 1 1 31 10 0  o 4.53575  0.0813341 20.5939      0.737287 20.5939      0.737287 20.5939      0.737287 4.5369   0.0574764 ?        ?         
1 1 1 31 10 1  f 11.7908  0.0858682 139.039      2.02491  137.916      2.87378  140.146      2.85364  11.7424  0.122368  11.837   0.120539  
1 1 1 31 10 2  o 16.7476  0.114925  280.542      3.84944  279.381      5.48658  281.667      5.40226  16.7111  0.16416   16.7795  0.160978  
1 1 1 31 10 3  o 14.0089  0.0998629 196.281      2.79794  197.12       4.02188  195.493      3.89494  14.0376  0.143254  13.9797  0.139307  
1 1 1 31 10 4  o 10.6926  0.0819256 114.345      1.752    116.183      2.54493  112.689      2.41554  10.7776  0.118066  10.6143  0.113787  
1 1 1 31 10 5  o 3.50613  0.0628885 12.2938      0.44099  11.6225      0.619956 12.9813      0.62742  3.40893  0.0909311 3.60272  0.0870759 
1 1 1 31 10 6  o 9.19907  0.0749345 84.6316      1.37865  85.0994      2.05674  84.2499      1.85783  9.22387  0.11149   9.17791  0.101212  
1 1 1 31 10 7  o 8.59889  0.0749383 73.9489      1.28877  71.954       1.8789   75.7215      1.77108  8.48155  0.110764  8.70093  0.101775  
1 1 1 31 10 8  o 10.8183  0.0864011 117.054      1.86943  115.42       2.64083  118.696      2.64673  10.7417  0.122924  10.8931  0.121486  
1 1 1 31 10 9  o 10.0226  0.0836078 100.467      1.67593  99.3652      2.38605  101.54       2.35452  9.96671  0.119701  10.0752  0.116847  
1 1 1 31 10 10 o 3.0356   0.0923213 9.21659      0.560502 8.67957      0.819258 9.68915      0.768512 2.94549  0.13907   3.11222  0.123467  
1 1 1 31 10 11 o 16.9324  0.123422  286.807      4.17968  283.271      5.91213  290.339      5.90978  16.8247  0.175698  17.0335  0.173475  
1 1 1 31 10 12 f 9.80174  0.0942209 96.0951      1.84706  92.9165      2.57676  99.4545      2.64901  9.63719  0.133688  9.97051  0.132842  
1 1 1 31 10 13 o 12.999   0.100188  169.019      2.60469  166.859      3.68203  171.183      3.68516  12.9139  0.142561  13.0802  0.140868  
1 1 1 31 10 14 o 9.04711  0.0864686 81.8683      1.56458  81.1161      2.15519  82.7064      2.27497  9.00453  0.119673  9.09219  0.125106  
1 1 1 31 10 15 o 16.0814  0.128123  258.752      4.1208   262.98       6.28517  255.565      5.45747  16.2065  0.193909  15.9786  0.170774  
1 1 1 31 10 16 o 6.18398  0.0797079 38.2514      0.985824 39.3493      1.42145  37.2339      1.3684   6.27126  0.11333   6.10039  0.112156  
1 1 1 31 10 17 o 2.47763  0.149976  6.14527      0.743171 5.65277      1.01897  6.70496      1.08625  2.37493  0.214528  2.58665  0.209973  
1 1 1 31 10 18 o 4.63603  0.0905649 21.5026      0.839723 21.2352      1.14472  21.814       1.23557  4.6062   0.124259  4.66828  0.132336  
1 1 1 31 10 19 o 11.6591  0.100376  136.023      2.34059  138.786      3.26952  133.12       3.35221  11.7734  0.138852  11.5298  0.145371  
1 1 1 31 10 20 o 4.35604  0.0905483 18.987       0.788865 18.3137      1.08125  19.7533      1.1535   4.27681  0.126408  4.44158  0.129852  
1 1 1 31 10 21 o 4.2719   0.0930157 18.2643      0.794707 19.4041      1.11504  17.0876      1.13295  4.40162  0.126662  4.12999  0.137161  
1 1 1 31 10 22 f 5.17385  0.0892567 26.7926      0.923602 26.3734      1.28802  27.2363      1.32511  5.13098  0.125514  5.21413  0.127069  
1 1 1 31 10 23 o 12.2347  0.0980811 149.878      2.39998  150.304      3.38045  149.445      3.40788  12.2444  0.138041  12.209   0.139564  
1 1 1 31 10 24 o 1.29986  0.279226  1.77497      0.705026 2.08064      0.983741 1.45216      1.01093  1.40198  0.351243  1.19778  0.378072  
1 1 1 31 10 25 o 1.70534  0.210758  2.93143      0.718828 2.71922      0.983819 3.17447      1.05284  1.60788  0.317232  1.74052  0.313924  
1 1 1 31 10 26 o 4.97658  0.0946486 24.8119      0.942053 24.658       1.30993  24.9768      1.35578  4.95685  0.132133  4.98828  0.135897  
1 1 1 31 10 27 o 3.30961  0.127495  10.9958      0.843917 11.4493      1.17775  10.5173      1.20986  3.37148  0.174663  3.22961  0.187307  
1 1 1 31 10 28 o 2.68065  0.158226  7.23698      0.848295 6.78953      1.15006  7.77092      1.25631  2.58772  0.222215  2.76761  0.226966  
1 1 1 31 10 29 o 2.49652  0.16367   6.28653      0.81721  5.29029      1.19311  7.16696      1.12162  2.27456  0.262271  2.65779  0.211006  
1 1 1 31 10 30 f 4.84919  0.120232  23.6365      1.16605  24.3204      1.65039  22.9548      1.64771  4.90653  0.168182  4.76542  0.172882  
1 1 1 31 10 31 o 1.72491  0.242575  3.0451       0.83684  2.25104      1.15763  3.91425      1.21113  1.43253  0.392561  1.94096  0.311991  
1 1 1 31 10 32 o 1.90716  0.219856  3.72516      0.838602 3.16945      1.15721  4.33975      1.21697  1.70117  0.352035  2.03854  0.298491  
1 1 1 31 10 33 o 2.24237  0.207477  5.15229      0.930482 6.41777      1.32676  3.92743      1.3053   2.48286  0.267185  1.88778  0.358683  
1 1 1 31 10 34 o 2.47125  0.183802  6.23887      0.90844  4.51522      1.27909  7.99328      1.29045  2.06197  0.31016   2.77941  0.232144  
1 1 1 31 10 35 o 1.15644  0.358434  1.48665      0.914081 1.95119      1.24483  0.943073     1.34657  1.30721  0.420244  1.07055  0.424067  
1 1 1 31 10 36 o 1.24447  0.355971  1.76896      0.930982 0.688188     1.27776  2.99193      1.35923  0.994677 0.40585   1.58486  0.42142   
1 1 1 31 10 37 o 0.900489 0.360891  0.627603     0.987243 2.13829      1.3985   -0.873094    1.39386  1.32536  0.445833  0.776954 0.363155  
1 1 1 31 10 38 f 3.86057  0.137433  15.2546      1.06114  14.2303      1.47144  16.3647      1.53174  3.6818   0.199826  3.95393  0.193698  
1 1 1 31 10 39 o 0.97301  0.364569  1.04809      0.957671 0.314868     1.33812  1.818        1.37119  0.889542 0.390857  1.18738  0.437945  
1 1 1 31 10 40 o 0.839605 0.354349  0.537098     1.02085  0.732786     1.49101  0.36442      1.40062  0.953921 0.415901  0.884341 0.392993  
1 1 1 31 10 41 o 1.39626  0.384994  2.77355      1.10923  2.87492      1.57821  2.67458      1.55933  1.28948  0.470403  1.24925  0.465769  
1 1 1 31 10 42 o 0.864994 0.371069  0.882095     1.15127  0.515305     1.56397  1.31594      1.70093  0.853194 0.393304  0.959059 0.429422  
1 1 1 31 10 43 f 0.778835 0.356636  0.682285     1.26175  1.54434      1.83123  -0.0968796   1.74097  0.886314 0.414901  0.746059 0.363341  
1 1 1 31 10 44 o ?        ?         -3.18399     1.21202  -2.80661     1.69496  -3.57888     1.73381  0.555212 0.283014  ?        ?         
1 1 1 31 11 0  o 6.95618  0.0869008 48.4141      1.20857  48.4141      1.20857  48.4141      1.20857  6.9571   0.0614292 ?        ?         
1 1 1 31 11 1  f 22.0284  0.149005  485.43       6.56468  484.835      9.18253  486.052      9.38864  22.0109  0.208591  22.0381  0.213009  
1 1 1 31 11 2  o 19.8191  0.136183  392.92       5.39807  393.145      7.63693  392.696      7.63113  19.8216  0.192642  19.8103  0.192606  
1 1 1 31 11 3  o 12.7106  0.0921061 161.583      2.34145  160.405      3.32716  162.739      3.29567  12.6632  0.131372  12.7551  0.129191  
1 1 1 31 11 4  o 12.3844  0.0912553 153.397      2.26029  152.695      3.18974  154.104      3.20337  12.3551  0.129086  12.412   0.129043  
1 1 1 31 11 5  o 22.7386  0.157387  517.283      7.15752  518.593      10.0404  515.93       10.2061  22.7622  0.22055   22.7033  0.224773  
1 1 1 31 11 6  o 20.4707  0.145841  419.224      5.97091  413.303      8.4401   425.156      8.44819  20.3212  0.207668  20.6107  0.204946  
1 1 1 31 11 7  f 18.5493  0.131644  344.197      4.88379  338.92       6.81285  349.774      7.00459  18.4033  0.185098  18.6955  0.187333  
1 1 1 31 11 8  o 2.46488  0.104055  6.07699      0.512964 5.03989      0.676955 7.47547      0.786101 2.24443  0.150807  2.73354  0.143788  
1 1 1 31 11 9  o 11.9589  0.0907425 143.039      2.17035  141.873      3.11767  144.136      3.0232   11.9088  0.130897  12.0036  0.125929  
1 1 1 31 11 10 o 9.70222  0.0778273 94.1457      1.51019  92.5783      2.1216   95.7555      2.15016  9.62045  0.110265  9.78415  0.10988   
1 1 1 31 11 11 o 21.175   0.153692  448.635      6.50885  443.033      9.34376  453.916      9.07207  21.0358  0.222092  21.2936  0.213023  
1 1 1 31 11 12 o 11.9048  0.0918566 141.755      2.18707  141.244      3.07116  142.281      3.11527  11.882   0.129236  11.9255  0.130614  
1 1 1 31 11 13 o 4.16337  0.0829469 17.337       0.690677 15.8497      0.960545 18.9292      0.993835 3.98034  0.120661  4.34996  0.114235  
1 1 1 31 11 14 o 9.24735  0.0856874 85.5331      1.58476  83.727       2.29999  87.1657      2.18668  9.14797  0.12571   9.33424  0.117132  
1 1 1 31 11 15 f 13.8733  0.115274  192.562      3.19846  193.975      4.50865  191.131      4.5381   13.9207  0.16194   13.8181  0.164208  
1 1 1 31 11 16 o 3.14848  0.113728  9.91866      0.716144 10.9633      0.969462 8.66395      1.06248  3.30949  0.146467  2.9413   0.180614  
1 1 1 31 11 17 o 10.041   0.0948553 100.868      1.90488  105.671      2.61415  95.4294      2.78143  10.2754  0.127204  9.76372  0.142437  
1 1 1 31 11 18 o 12.49    0.104404  156.1        2.60801  157.742      3.60153  154.29       3.78161  12.5519  0.143466  12.4128  0.152326  
1 1 1 31 11 19 o 3.4055   0.105482  11.6063      0.718441 11.2087      0.982413 12.0634      1.05335  3.34543  0.146829  3.47047  0.151759  
1 1 1 31 11 20 o 1.60082  0.206777  2.57172      0.662026 1.47597      0.92637  3.71547      0.946444 1.20156  0.358545  1.9227   0.246124  
1 1 1 31 11 21 o 8.18738  0.0855848 67.0844      1.40143  66.6349      1.93256  67.5831      2.03528  8.1571   0.118459  8.21437  0.123885  
1 1 1 31 11 22 o 6.04473  0.0834787 36.5687      1.00921  36.0639      1.40821  37.1018      1.44706  6.00044  0.117343  6.08604  0.118884  
1 1 1 31 11 23 o 4.13007  0.0984505 17.0806      0.813214 17.2835      1.11564  16.8505      1.18787  4.1521   0.134347  4.09892  0.1449    
1 1 1 31 11 24 o 4.92459  0.0943484 24.2862      0.929255 24.2279      1.25361  24.3573      1.38444  4.91572  0.12751   4.92745  0.140482  
1 1 1 31 11 25 o 0.68213  0.290304  0.0100217    0.694847 0.86858      0.970352 -0.893531    0.995453 1.01244  0.368899  0.662235 0.308509  
1 1 1 31 11 26 o 6.43493  0.0880514 41.4764      1.13321  41.964       1.58819  40.9706      1.61741  6.46773  0.122778  6.39008  0.126556  
1 1 1 31 11 27 o 0.554431 0.260925  -0.821245    0.753822 -0.305809    1.00562  -1.48237     1.13891  0.755028 0.334579  0.652028 0.311708  
1 1 1 31 11 28 o 2.57896  0.160231  6.7013       0.826458 6.89393      1.14353  6.49065      1.1958   2.60736  0.219288  2.52708  0.236598  
1 1 1 31 11 29 o 0.730434 0.312193  0.0142059    0.809669 -1.3303      1.20093  1.13466      1.0963   0.690077 0.326215  1.10302  0.39307   
1 1 1 31 11 30 o 1.15559  0.34312   1.41612      0.849806 2.13685      1.22046  0.737822     1.18399  1.4026   0.409658  1.02149  0.399665  
1 1 1 31 11 31 o 3.3409   0.138788  11.2483      0.927356 11.1078      1.28944  11.3988      1.33469  3.30732  0.194937  3.34923  0.199254  
1 1 1 31 11 32 o 2.17482  0.192508  4.81865      0.837342 3.81053      1.15066  5.95346      1.22082  1.90864  0.301433  2.401    0.254231  
1 1 1 31 11 33 o 3.90062  0.128995  15.3629      1.00632  15.0477      1.44169  15.6624      1.40532  3.83971  0.187735  3.92087  0.17921   
1 1 1 31 11 34 o 1.59505  0.285295  2.75048      0.877252 2.7665       1.22988  2.73388      1.25165  1.55576  0.394526  1.54407  0.401586  
1 1 1 31 11 35 o 0.852482 0.344306  0.456792     0.908489 1.53792      1.24797  -0.762099    1.3251   1.19399  0.419991  0.783123 0.361392  
1 1 1 31 11 36 o 2.04246  0.229825  4.36481      0.938815 4.20765      1.30629  4.53271      1.35017  1.92763  0.351892  2.03318  0.332034  
1 1 1 31 11 37 o 1.75169  0.284234  3.33949      0.995779 2.38983      1.39822  4.31689      1.41849  1.38248  0.445478  1.90626  0.385539  
1 1 1 31 11 38 o 1.96691  0.241832  4.15839      0.951325 1.93274      1.31726  6.58476      1.37537  1.24325  0.432049  2.44482  0.281284  
1 1 1 31 11 39 o 1.19556  0.367073  1.79941      0.96173  2.87708      1.32706  0.607347     1.39572  1.45936  0.427476  0.940766 0.40617   
1 1 1 31 11 40 o 1.35572  0.364949  2.3952       1.01157  3.45233      1.42199  1.31211      1.43933  1.55301  0.438575  1.04194  0.428871  
1 1 1 31 11 41 o 1.46128  0.381239  3.04089      1.1258   2.87936      1.61379  3.19402      1.57132  1.26696  0.473542  1.34663  0.471503  
1 1 1 31 11 42 o 1.63842  0.372787  3.96372      1.19442  2.22559      1.60101  6.14544      1.79371  1.06421  0.446189  1.84587  0.481052  
1 1 1 31 11 43 o 0.797826 0.360007  0.804917     1.21759  0.979456     1.73465  0.635405     1.70948  0.83945  0.395279  0.807158 0.384916  
1 1 1 31 12 0  o 23.6789  0.22374   561.094      10.5937  561.094      10.5937  561.094      10.5937  23.6831  0.158164  ?        ?         
1 1 1 31 12 1  o 16.0635  0.109584  258.093      3.52062  256.615      4.95135  259.605      5.00694  16.0157  0.154578  16.1087  0.155411  
1 1 1 31 12 2  f 10.0551  0.0741602 101.114      1.49137  99.3928      2.08125  102.931      2.13814  9.96859  0.10439   10.1445  0.105384  
1 1 1 31 12 3  o 8.96189  0.0721433 80.3233      1.29308  78.3893      1.78762  82.4458      1.87273  8.85292  0.100962  9.07905  0.103135  
1 1 1 31 12 4  o 16.6785  0.117422  278.248      3.91685  274.81       5.41861  282.011      5.66836  16.5731  0.163476  16.7885  0.168817  
1 1 1 31 12 5  o 14.6483  0.105881  214.621      3.10196  212.067      4.24915  217.536      4.53882  14.5594  0.145925  14.7456  0.153905  
1 1 1 31 12 6  o 33.3432  0.239953  1113.08      16.0016  1112.53      22.3664  1113.66      22.9023  33.3159  0.335672  33.331   0.343558  
1 1 1 31 12 7  o 23.7377  0.162542  563.791      7.71675  571.012      11.2909  557.462      10.5709  23.8818  0.236391  23.5982  0.223978  
1 1 1 31 12 8  o 3.98142  0.0683926 15.8533      0.544599 16.2145      0.76998  15.4917      0.770379 4.02632  0.0956182 3.93554  0.0978746 
1 1 1 31 12 9  o 13.3572  0.104419  178.457      2.78948  177.696      4.17194  179.072      3.75134  13.3266  0.156526  13.3789  0.140197  
1 1 1 31 12 10 o 14.9077  0.112053  222.306      3.3409   222.962      4.87642  221.725      4.5864   14.9272  0.16334   14.8862  0.154048  
1 1 1 31 12 11 o 15.7853  0.117669  249.264      3.71488  247.71       5.34737  250.713      5.16467  15.733   0.169941  15.8285  0.163144  
1 1 1 31 12 12 o 6.67053  0.0735437 44.5026      0.981152 44.7409      1.39697  44.2707      1.37833  6.68785  0.104441  6.65263  0.103593  
1 1 1 31 12 13 o 4.38243  0.0843305 19.2098      0.739144 19.084       1.08454  19.3189      1.01005  4.3675   0.12416   4.39445  0.114923  
1 1 1 31 12 14 o 14.7142  0.112739  216.601      3.31772  220.472      4.89229  213.305      4.51439  14.8414  0.164819  14.599   0.154613  
1 1 1 31 12 15 o 6.78621  0.0892901 46.0677      1.21188  46.3544      1.63131  45.7145      1.81036  6.80639  0.119837  6.75875  0.133927  
1 1 1 31 12 16 o 12.501   0.102427  156.354      2.56088  155.388      3.54493  157.409      3.70353  12.4594  0.142259  12.5397  0.147672  
1 1 1 31 12 17 o 2.03976  0.168914  4.16716      0.689086 5.36863      0.954391 2.85874      0.995967 2.31433  0.206191  1.65964  0.311537  
1 1 1 31 12 18 o 8.76455  0.0873535 76.8543      1.53123  77.3637      2.10298  76.2796      2.23392  8.79166  0.119601  8.72927  0.127956  
1 1 1 31 12 19 o 2.47542  0.135471  6.136        0.670694 5.74515      0.909796 6.60125      0.992613 2.39367  0.190042  2.5657   0.193439  
1 1 1 31 12 20 o 2.9635   0.119263  8.79377      0.70687  8.08909      0.998242 9.50247      1.00109  2.84012  0.175739  3.07889  0.162574  
1 1 1 31 12 21 o 6.76749  0.0820834 45.8325      1.111    46.2674      1.57205  45.3985      1.57033  6.79708  0.115642  6.73287  0.116616  
1 1 1 31 12 22 o 4.90847  0.0864274 24.1157      0.848452 24.5842      1.18815  23.6282      1.21199  4.95375  0.119925  4.85612  0.12479   
1 1 1 31 12 23 o 2.05439  0.171226  4.23858      0.703532 5.15514      0.970994 3.22565      1.02076  2.26286  0.214551  1.78532  0.285875  
1 1 1 31 12 24 o 5.31894  0.0887284 28.3291      0.943883 27.6655      1.29076  29.0918      1.3838   5.253    0.122859  5.38606  0.128461  
1 1 1 31 12 25 o 3.06171  0.123787  9.40256      0.757997 9.17376      1.03389  9.66849      1.1146   3.02008  0.171168  3.09953  0.179801  
1 1 1 31 12 26 o 5.28928  0.0930608 28.0305      0.98445  28.5964      1.36827  27.4231      1.41747  5.33785  0.128167  5.22607  0.135616  
1 1 1 31 12 27 o 4.07223  0.110296  16.6371      0.898304 15.9656      1.18722  17.5364      1.37392  3.98396  0.149     4.17265  0.164634  
1 1 1 31 12 28 o 3.23602  0.126573  10.5231      0.819184 10.8547      1.12306  10.146       1.19753  3.27999  0.171199  3.16802  0.189002  
1 1 1 31 12 29 o 2.0883   0.204001  4.42606      0.852029 4.48109      1.26112  4.37985      1.15567  2.08274  0.302756  2.06386  0.279979  
1 1 1 31 12 30 o 2.14846  0.201761  4.68716      0.866951 3.70859      1.20605  5.73347      1.24709  1.8604   0.336479  2.36334  0.26384   
1 1 1 31 12 31 o 1.9611   0.218736  3.92616      0.857926 3.46678      1.1968   4.41176      1.23048  1.78901  0.346867  2.06054  0.298582  
1 1 1 31 12 32 o 0.861744 0.335697  0.537619     0.833435 -0.388896    1.17332  1.48118      1.18406  0.793358 0.355906  1.1954   0.410179  
1 1 1 31 12 33 o 3.28385  0.146386  10.9221      0.96142  10.3159      1.37156  11.5077      1.34805  3.16752  0.216504  3.35181  0.201093  
1 1 1 31 12 34 o 3.97969  0.12631   16.0136      1.00535  16.7384      1.4158   15.2765      1.42784  4.04849  0.174855  3.86294  0.184812  
1 1 1 31 12 35 o 0.892445 0.351161  0.606969     0.917651 1.33339      1.25673  -0.222709    1.34308  1.14312  0.419497  0.861176 0.383693  
1 1 1 31 12 36 o 3.14103  0.160345  10.0901      1.0073   8.52785      1.36772  11.942       1.48908  2.84846  0.24008   3.38395  0.220021  
1 1 1 31 12 37 o 0.823543 0.344963  0.355816     0.95549  0.640572     1.35527  0.0743983    1.3473   0.976979 0.410109  0.881032 0.389242  
1 1 1 31 12 38 o 3.71015  0.1405    14.1271      1.04255  14.1745      1.47105  14.0793      1.47775  3.66753  0.200551  3.65363  0.202231  
1 1 1 31 12 39 o 2.20034  0.230136  5.27906      1.01275  6.89829      1.39756  3.48848      1.46965  2.46165  0.283867  1.57973  0.445783  
1 1 1 31 12 40 o 0.61574  0.291043  -0.692998    0.955693 -0.0614092   1.32609  -1.37553     1.37854  0.801467 0.366422  0.676492 0.327659  
1 1 1 31 12 41 o 0.90552  0.380207  1.01545      1.16532  1.89225      1.68502  0.21165      1.61335  1.06367  0.452359  0.840986 0.392158  
1 1 1 31 12 42 o 1.0779   0.400095  2.07404      1.14805  2.98972      1.52573  0.87892      1.74306  1.18619  0.455834  0.857914 0.402174  
1 1 1 31 12 43 o 0.724053 0.338568  0.296379     1.21307  -1.07432     1.70376  1.70567      1.72757  0.67742  0.335613  0.905138 0.415656  
1 1 1 31 13 0  o 18.1027  0.173455  327.893      6.2787   327.893      6.2787   327.893      6.2787   18.1052  0.122621  ?        ?         
1 1 1 31 13 1  o 3.51935  0.0684328 12.3869      0.481678 12.339       0.678531 12.4356      0.683892 3.51237  0.0965915 3.52609  0.0969759 
1 1 1 31 13 2  o 13.1458  0.0954039 172.842      2.50831  170.706      3.54378  174.987      3.55081  13.063   0.135641  13.2259  0.134237  
1 1 1 31 13 3  o 5.0469   0.059422  25.473       0.599794 25.9791      0.871401 25.0174      0.826826 5.09659  0.0854886 5.00139  0.0826596 
1 1 1 31 13 4  o 8.65998  0.07242   75.0034      1.25431  75.2246      1.74337  74.766       1.80602  8.67231  0.100514  8.64576  0.104445  
1 1 1 31 13 5  o 18.0719  0.125418  326.699      4.53307  325.225      6.39272  328.19       6.42888  18.0281  0.177299  18.1101  0.177495  
1 1 1 31 13 6  o 10.8456  0.0873389 117.646      1.89448  119.472      2.75124  115.999      2.61254  10.9285  0.125875  10.7686  0.121304  
1 1 1 31 13 7  o 16.1326  0.119268  260.342      3.84822  257.705      5.54209  262.797      5.34753  16.048   0.172672  16.2062  0.164984  
1 1 1 31 13 8  o 6.22752  0.0679674 38.7859      0.846536 40.5712      1.27917  37.3948      1.12918  6.36884  0.100424  6.11455  0.0923352 
1 1 1 31 13 9  o 19.1621  0.134692  367.343      5.16197  365.787      7.19792  368.991      7.40681  19.1176  0.188254  19.2007  0.192879  
1 1 1 31 13 10 o 14.2184  0.107812  202.221      3.06582  197.613      4.26117  207.167      4.41434  14.0534  0.151606  14.389   0.153393  
1 1 1 31 13 11 o 12.1987  0.0951629 148.846      2.32174  149.367      3.4284   148.405      3.15542  12.2183  0.140298  12.1794  0.12954   
1 1 1 31 13 12 o 9.78397  0.0847452 95.7463      1.65829  95.3693      2.33033  96.1331      2.36031  9.76367  0.119337  9.80265  0.120391  
1 1 1 31 13 13 o 3.34629  0.101186  11.2014      0.677192 10.8197      0.970448 11.5636      0.945432 3.28818  0.147566  3.39946  0.139056  
1 1 1 31 13 14 o 5.67805  0.0895578 32.2501      1.01703  35.3413      1.49721  29.6016      1.38583  5.94306  0.125963  5.43905  0.127396  
1 1 1 31 13 15 o 7.38676  0.0808767 54.5803      1.19483  52.4296      1.60931  57.222       1.7836   7.23879  0.111159  7.56213  0.11793   
1 1 1 31 13 16 o 6.96278  0.0769744 48.4951      1.07191  48.5356      1.50682  48.4537      1.52518  6.96466  0.108176  6.95872  0.109587  
1 1 1 31 13 17 o 7.02039  0.0782647 49.3037      1.0989   47.9671      1.49547  50.8724      1.62017  6.92345  0.108     7.12978  0.11362   
1 1 1 31 13 18 o 4.99233  0.0885893 24.9366      0.884534 24.6114      1.21775  25.2999      1.28696  4.95842  0.122796  5.02707  0.128003  
1 1 1 31 13 19 o 9.3885   0.0852579 88.1956      1.60089  89.965       2.25659  86.4028      2.27148  9.47953  0.119024  9.28967  0.122258  
1 1 1 31 13 20 o 4.99083  0.0888666 24.9285      0.887035 25.6053      1.23654  24.2109      1.27317  5.05634  0.122276  4.91628  0.129485  
1 1 1 31 13 21 o 3.46335  0.106189  12.0102      0.735539 11.7169      1.03231  12.3126      1.04829  3.41854  0.150987  3.50445  0.149566  
1 1 1 31 13 22 o 3.93788  0.0956853 15.5262      0.753595 14.9585      1.03812  16.1585      1.09569  3.8629   0.134371  4.0147   0.13646   
1 1 1 31 13 23 o 3.71016  0.105115  13.7886      0.779985 13.9245      1.07073  13.6349      1.13852  3.7256   0.143699  3.68575  0.154449  
1 1 1 31 13 24 o 4.78114  0.0905244 22.8931      0.865619 23.2594      1.19688  22.4913      1.25342  4.81607  0.124259  4.73499  0.132357  
1 1 1 31 13 25 o 6.08148  0.0871254 37.042       1.0597   37.8493      1.46336  36.1518      1.53662  6.1433   0.119102  6.00262  0.127996  
1 1 1 31 13 26 o 6.06538  0.0901237 36.8591      1.09327  35.8826      1.49088  37.9951      1.60799  5.9793   0.12467   6.15168  0.130695  
1 1 1 31 13 27 o 2.25401  0.176622  5.12512      0.796218 5.24584      1.05005  4.9618       1.22129  2.27355  0.230928  2.20406  0.277055  
1 1 1 31 13 28 o 3.89379  0.112886  15.223       0.879105 15.7583      1.2034   14.6104      1.28732  3.955    0.152137  3.80492  0.169165  
1 1 1 31 13 29 o 0.629781 0.290508  -0.636374    0.855115 -0.513531    1.2556   -0.742638    1.1678   0.813917 0.366517  0.748613 0.342924  
1 1 1 31 13 30 f 1.32029  0.316624  1.88152      0.826537 3.30047      1.18698  0.545862     1.15162  1.74664  0.35214   0.967325 0.388904  
1 1 1 31 13 31 o 2.38846  0.187433  5.80206      0.895354 5.40391      1.2662   6.20025      1.26625  2.28265  0.277353  2.45088  0.258325  
1 1 1 31 13 32 o 4.35524  0.114012  19.1049      0.993099 18.639       1.39027  19.5903      1.41908  4.286    0.162188  4.39429  0.161468  
1 1 1 31 13 33 o 1.35744  0.321983  2.03208      0.862068 2.67704      1.22442  1.39812      1.21395  1.53433  0.396326  1.16743  0.413864  
1 1 1 31 13 34 o 3.73145  0.135719  14.1123      1.01286  13.1881      1.39676  15.1372      1.47092  3.58201  0.194968  3.83939  0.191556  
1 1 1 31 13 35 o 1.67067  0.275601  2.95671      0.920877 2.53901      1.2851   3.39757      1.32024  1.47045  0.41747   1.71427  0.393225  
1 1 1 31 13 36 o 2.26167  0.215713  5.33803      0.975743 4.95873      1.32763  5.78357      1.43889  2.13223  0.311325  2.302    0.312531  
1 1 1 31 13 37 o 1.77811  0.264815  3.42828      0.941744 2.8703       1.30913  4.02671      1.35575  1.51281  0.418741  1.82984  0.382833  
1 1 1 31 13 38 o 0.773497 0.328894  0.26829      0.890443 -0.27821     1.25015  0.831053     1.26861  0.78793  0.3588    0.976545 0.402408  
1 1 1 31 13 39 o 0.766328 0.334408  0.212987     0.965727 0.535995     1.31001  -0.171505    1.42926  0.899156 0.390919  0.823165 0.378036  
1 1 1 31 13 40 o 1.10159  0.381973  1.66744      1.02912  2.66471      1.4075   0.521841     1.50855  1.3111   0.447266  0.899543 0.40355   
1 1 1 31 13 41 o 0.733893 0.339806  -0.0598375   1.18426  -0.368734    1.65292  0.265972     1.69757  0.78771  0.376319  0.85331  0.399455  
1 1 1 31 13 42 o 0.886262 0.373375  1.26507      1.1301   1.30325      1.58971  1.22606      1.60682  0.887522 0.404273  0.878448 0.402337  
1 1 1 31 13 43 o 1.36472  0.433316  3.74155      1.3265   5.47096      1.9221   2.16881      1.83298  1.38654  0.517086  0.922766 0.425532  
1 1 1 31 14 0  o 11.2034  0.117484  125.574      2.63178  125.574      2.63178  125.574      2.63178  11.2047  0.0830538 ?        ?         
1 1 1 31 14 1  o 14.9759  0.103061  224.326      3.08685  225.078      4.37971  223.584      4.35135  14.9993  0.145997  14.9494  0.145536  
1 1 1 31 14 2  o 23.1397  0.155168  535.714      7.1811   536.283      10.1643  535.146      10.1469  23.1462  0.219567  23.1217  0.219425  
1 1 1 31 14 3  o 7.68585  0.0685447 59.0781      1.05365  60.9276      1.52272  57.379       1.45947  7.80484  0.0975494 7.57416  0.0963451 
1 1 1 31 14 4  o 8.37978  0.0704495 70.2281      1.1807   70.5364      1.71512  69.9504      1.62783  8.39767  0.102119  8.3628   0.0973256 
1 1 1 31 14 5  o 10.7227  0.0863202 114.995      1.85117  116.524      2.687    113.613      2.55396  10.7928  0.124481  10.6573  0.119822  
1 1 1 31 14 6  o 3.30609  0.0934901 10.9323      0.618173 10.8848      0.954188 10.9666      0.8115   3.29846  0.144642  3.31105  0.122544  
1 1 1 31 14 7  o 3.39854  0.0892273 11.5521      0.606485 11.9455      0.88313  11.201       0.834346 3.45559  0.127783  3.34621  0.12467   
1 1 1 31 14 8  o 6.01447  0.0718733 36.1782      0.864559 36.7989      1.2461   35.6021      1.20052  6.06545  0.102721  5.96603  0.100613  
1 1 1 31 14 9  f 8.93691  0.0820297 79.8818      1.46619  81.2669      2.24751  78.8557      1.93451  9.01305  0.124681  8.87875  0.10894   
1 1 1 31 14 10 o 9.16449  0.0810254 84.0027      1.48511  84.2804      2.15842  83.753       2.04657  9.17873  0.117577  9.15012  0.111833  
1 1 1 31 14 11 o 15.3488  0.110176  235.669      3.38216  239.171      4.84799  232.349      4.72075  15.4597  0.156795  15.2377  0.154904  
1 1 1 31 14 12 o 5.25573  0.0782892 27.628       0.822934 27.2421      1.14064  28.047       1.18843  5.21842  0.10929   5.29489  0.112225  
1 1 1 31 14 13 o 15.8426  0.117812  251.112      3.73289  251.847      5.35662  250.419      5.20485  15.8615  0.168855  15.8169  0.164534  
1 1 1 31 14 14 o 19.3357  0.143774  374.199      5.55996  373.697      7.96616  374.675      7.7637   19.3136  0.206232  19.3397  0.200719  
1 1 1 31 14 15 o 5.55097  0.0791565 30.8227      0.878791 30.2307      1.2022   31.502       1.28781  5.49664  0.109357  5.61086  0.114761  
1 1 1 31 14 16 f 12.6688  0.0994582 160.588      2.52004  160.439      3.55622  160.738      3.57158  12.6595  0.140456  12.6713  0.140932  
1 1 1 31 14 17 o 7.31014  0.0774902 53.4583      1.13293  53.7839      1.58229  53.1158      1.62288  7.33104  0.107918  7.28518  0.111382  
1 1 1 31 14 18 o 1.164    0.289481  1.4173       0.671925 0.950289     0.954848 1.87542      0.945709 1.03941  0.367193  1.33873  0.349487  
1 1 1 31 14 19 o 10.5197  0.0920223 110.749      1.9361   111.302      2.72292  110.183      2.75346  10.5421  0.129145  10.4887  0.131258  
1 1 1 31 14 20 o 6.01633  0.0841555 36.2237      1.01261  34.599       1.37413  38.1545      1.49798  5.8778   0.116891  6.17209  0.121351  
1 1 1 31 14 21 o 4.74879  0.0868444 22.5718      0.824812 22.1584      1.15374  23.0039      1.17961  4.70294  0.122661  4.7918   0.123087  
1 1 1 31 14 22 o 6.92082  0.0808071 47.9422      1.1185   48.93        1.57993  46.9497      1.58368  6.98863  0.113036  6.84545  0.115674  
1 1 1 31 14 23 o 3.04415  0.117939  9.28788      0.718048 8.1917       0.979659 10.5604      1.05553  2.85521  0.171557  3.24262  0.162758  
1 1 1 31 14 24 o 1.07936  0.295665  1.22235      0.656839 0.737585     0.904552 1.76309      0.955349 0.957285 0.355177  1.29214  0.357736  
1 1 1 31 14 25 o 4.42876  0.0948258 19.6513      0.839922 20.8072      1.19072  18.5066      1.18495  4.55331  0.130754  4.29333  0.137999  
1 1 1 31 14 26 o 5.54682  0.0931889 30.8341      1.0338   30.7795      1.37076  30.9062      1.57432  5.53734  0.123774  5.54541  0.141949  
1 1 1 31 14 27 o 5.32907  0.0936471 28.4717      0.998103 28.3064      1.3925   28.6464      1.43137  5.30714  0.131191  5.33833  0.134065  
1 1 1 31 14 28 o 1.16591  0.319212  1.45134      0.765865 2.14916      1.04032  0.625634     1.13163  1.40829  0.366044  0.983719 0.389043  
1 1 1 31 14 29 o 0.958255 0.344195  0.827974     0.842093 0.237119     1.20835  1.38588      1.17418  0.9237   0.38747   1.1836   0.408237  
1 1 1 31 14 30 o 1.86532  0.214498  3.54351      0.800215 3.00806      1.11806  4.10587      1.14581  1.66627  0.346945  1.99335  0.287408  
1 1 1 31 14 31 o 4.25579  0.122366  18.2479      1.04153  16.8709      1.43048  19.8014      1.51942  4.07617  0.175469  4.41734  0.171983  
1 1 1 31 14 32 o 1.94794  0.217752  3.89796      0.848337 3.6024       1.19249  4.2008       1.2071   1.81346  0.341316  1.99764  0.302131  
1 1 1 31 14 33 o 4.37281  0.120908  19.3004      1.05741  19.373       1.50969  19.2304      1.48153  4.35952  0.173148  4.34471  0.170498  
1 1 1 31 14 34 o 2.94563  0.165068  8.85401      0.972458 8.16276      1.34319  9.61546      1.40975  2.79735  0.240083  3.04033  0.231841  
1 1 1 31 14 35 o 1.5209   0.306618  2.56646      0.899958 2.82961      1.27018  2.30119      1.2753   1.55022  0.405183  1.39632  0.421503  
1 1 1 31 14 36 o 1.69712  0.303186  3.21926      0.991988 5.24567      1.41001  1.23329      1.39587  2.1781   0.323679  1.11394  0.43434   
1 1 1 31 14 37 o 1.73248  0.267488  3.26671      0.926833 4.18609      1.27605  2.24007      1.34842  1.88888  0.350911  1.32857  0.437779  
1 1 1 31 14 38 o 0.797946 0.334638  0.383625     0.900932 0.278645     1.25432  0.495503     1.29487  0.867968 0.379916  0.912835 0.392628  
1 1 1 31 14 39 o 1.60981  0.312843  3.11973      0.971289 1.3614       1.31354  5.24102      1.44276  1.05162  0.418121  2.03607  0.367767  
1 1 1 31 14 40 o 1.43615  0.372233  2.82671      1.07773  1.43363      1.44817  4.55596      1.61347  1.02392  0.42652   1.7094   0.461247  
1 1 1 31 14 41 o 1.1466   0.403099  2.08696      1.14946  3.16535      1.61134  0.969586     1.6402   1.29613  0.47507   0.920889 0.416565  
1 1 1 31 14 42 o 0.743378 0.338638  0.481754     1.11585  -0.56536     1.60532  1.46063      1.55214  0.702704 0.343494  0.892661 0.404436  
1 1 1 31 14 43 o 0.571378 0.283035  -1.03165     1.21063  -2.07537     1.75853  -0.0913304   1.66915  0.601071 0.303816  0.691795 0.34073   
1 1 1 31 15 0  o 6.28583  0.114936  39.5568      1.44384  39.5568      1.44384  39.5568      1.44384  6.28762  0.0812177 ?        ?         
1 1 1 31 15 1  f 6.92471  0.0660947 47.9561      0.915374 50.211       1.33834  45.974       1.25477  7.0853   0.0944448 6.77979  0.0925373 
1 1 1 31 15 2  o 13.5722  0.0962529 184.241      2.61273  184.799      3.74428  183.712      3.64753  13.5913  0.137746  13.5514  0.134581  
1 1 1 31 15 3  o 13.8458  0.0989753 191.746      2.74078  190.213      3.85351  193.316      3.899    13.7889  0.139733  13.9009  0.140243  
1 1 1 31 15 4  o 7.18515  0.0699882 51.6318      1.00575  52.3783      1.57648  51.1194      1.30607  7.23635  0.108928  7.14914  0.0913446 
1 1 1 31 15 5  o 11.072   0.0887922 122.611      1.96622  124.781      2.86806  120.686      2.70078  11.1685  0.128399  10.9839  0.122943  
1 1 1 31 15 6  o 6.8124   0.0737822 46.4146      1.00527  44.8311      1.40166  48.0919      1.44255  6.69476  0.104684  6.93397  0.10402   
1 1 1 31 15 7  o 19.4794  0.145165  379.639      5.65548  380.017      8.01347  379.265      7.98272  19.4841  0.205641  19.4649  0.205054  
1 1 1 31 15 8  o 9.98214  0.0873768 99.6621      1.74441  99.9148      2.44686  99.4009      2.48759  9.99384  0.122418  9.96804  0.124778  
1 1 1 31 15 9  o 10.0747  0.0880351 101.521      1.77385  100.587      2.46876  102.516      2.55045  10.0273  0.123102  10.1229  0.125975  
1 1 1 31 15 10 o 9.3503   0.0813342 87.4446      1.521    89.4825      2.19604  85.5658      2.10865  9.45769  0.116098  9.24845  0.114     
1 1 1 31 15 11 o 6.94912  0.0746155 48.2985      1.03702  49.7308      1.51063  47.0219      1.42616  7.05076  0.107125  6.85611  0.104006  
1 1 1 31 15 12 o 9.35682  0.0821569 87.5703      1.53745  88.7498      2.24211  86.5235      2.11227  9.4184   0.119028  9.29973  0.113566  
1 1 1 31 15 13 o 7.7773   0.0783653 60.5013      1.21894  60.5275      1.72855  60.4754      1.71918  7.77799  0.111118  7.77467  0.110563  
1 1 1 31 15 14 o 17.113   0.130892  293.087      4.47988  291.775      6.31891  294.412      6.35224  17.0677  0.185113  17.1447  0.185254  
1 1 1 31 15 15 o 10.6171  0.0948867 112.777      2.01485  115.498      2.90045  110.239      2.801    10.7419  0.135007  10.4945  0.13345   
1 1 1 31 15 16 o 8.11165  0.0796193 65.8237      1.29169  64.9218      1.80613  66.7679      1.84803  8.05438  0.112121  8.16804  0.113126  
1 1 1 31 15 17 o 7.47892  0.0792352 55.9581      1.18519  58.7716      1.72283  53.4304      1.63299  7.66293  0.112413  7.30646  0.11175   
1 1 1 31 15 18 o 4.20495  0.0917799 17.6935      0.771859 18.021       1.14426  17.4201      1.04555  4.24199  0.134873  4.17109  0.125333  
1 1 1 31 15 19 o 6.94141  0.0839117 48.2173      1.16493  47.135       1.59737  49.4468      1.70258  6.86086  0.116412  7.0267   0.121151  
1 1 1 31 15 20 o 3.81822  0.0982734 14.5947      0.750459 14.4114      1.03087  14.8013      1.09461  3.79229  0.135917  3.84285  0.142422  
1 1 1 31 15 21 o 4.49511  0.0895953 20.2274      0.805482 21.072       1.13874  19.3816      1.13951  4.58577  0.12416   4.3976   0.12956   
1 1 1 31 15 22 o 3.86008  0.100304  14.9226      0.774366 14.1673      1.04639  15.837       1.15135  3.75847  0.139205  3.97329  0.144887  
1 1 1 31 15 23 o 0.732176 0.293665  0.26432      0.654428 0.543313     0.891984 -0.0609358   0.963104 0.899565 0.347933  0.786022 0.338356  
1 1 1 31 15 24 o 0.958316 0.303105  0.924318     0.64952  1.06551      0.901599 0.771975     0.936516 1.05498  0.357971  0.975441 0.361501  
1 1 1 31 15 25 o 2.19494  0.160243  4.84553      0.703449 4.83859      0.973579 4.85311      1.01753  2.18761  0.222522  2.18981  0.232333  
1 1 1 31 15 26 o 2.71583  0.142733  7.41607      0.775278 8.48779      1.04169  6.08529      1.16077  2.90096  0.179542  2.44859  0.237029  
1 1 1 31 15 27 o 0.898541 0.319918  0.726005     0.726074 0.00486829   0.988945 1.56928      1.06942  0.803454 0.344268  1.2282   0.388976  
1 1 1 31 15 28 o 1.42663  0.289372  2.16586      0.796877 2.4012       1.0804   1.88508      1.1801   1.48599  0.365556  1.32693  0.406456  
1 1 1 31 15 29 o 2.13761  0.201246  4.63847      0.860371 5.74862      1.20132  3.46939      1.23279  2.3692   0.253529  1.79261  0.35651   
1 1 1 31 15 30 o 0.961303 0.332592  0.891594     0.779868 0.462487     1.0649   1.38794      1.14529  0.920797 0.372409  1.17436  0.403364  
1 1 1 31 15 31 o 1.83914  0.235942  3.4784       0.867859 2.93211      1.21093  4.05533      1.24444  1.62428  0.37927   1.9641   0.316796  
1 1 1 31 15 32 o 1.96111  0.212462  3.94812      0.833325 3.26043      1.15769  4.68757      1.20048  1.71903  0.348878  2.1155   0.283733  
1 1 1 31 15 33 o 1.51903  0.308428  2.5284       0.904402 1.78211      1.29012  3.24953      1.26819  1.27176  0.42821   1.69267  0.383439  
1 1 1 31 15 34 o 2.72809  0.176148  7.61752      0.961094 8.2134       1.36416  7.03025      1.35428  2.80363  0.243284  2.58501  0.261949  
1 1 1 31 15 35 o 0.877199 0.34566   0.599038     0.890321 0.228927     1.22624  1.01167      1.29476  0.892202 0.382859  1.06342  0.417539  
1 1 1 31 15 36 o 1.59849  0.309401  2.88846      0.953846 3.13077      1.34259  2.64151      1.35539  1.59615  0.416284  1.45643  0.43351   
1 1 1 31 15 37 o 1.72881  0.260547  3.24563      0.900873 3.74245      1.24714  2.70352      1.30274  1.76953  0.364857  1.45719  0.422483  
1 1 1 31 15 38 o 0.590457 0.282282  -0.93962     0.934217 -0.554357    1.28414  -1.37278     1.36162  0.75296  0.35063   0.690629 0.332714  
1 1 1 31 15 39 o 0.852966 0.347424  0.677843     0.93471  -0.763579    1.27841  2.33347      1.37011  0.712632 0.336734  1.27026  0.440708  
1 1 1 31 15 40 o 0.772049 0.342664  0.301357     1.06042  2.14886      1.48585  -1.61648     1.51387  1.14356  0.447663  0.673381 0.330274  
1 1 1 31 15 41 o 0.68351  0.32082   -0.270037    1.12196  -0.288706    1.69893  -0.255598    1.4941   0.787315 0.377418  0.758892 0.361156  
1 1 1 31 15 42 o 0.67071  0.314293  0.0382346    1.06071  -0.325621    1.55669  0.353576     1.4492   0.709674 0.345106  0.756956 0.358076  
1 1 1 31 15 43 o 0.963627 0.399635  2.3153       1.26266  0.919758     1.67619  4.14612      1.91987  0.745614 0.361175  1.03098  0.459062  
1 1 1 31 16 0  o 4.41912  0.099252  19.5602      0.876214 19.5602      0.876214 19.5602      0.876214 4.42091  0.0701132 ?        ?         
1 1 1 31 16 1  o 12.008   0.0890809 144.216      2.13936  145.451      3.08384  143.07       2.97038  12.0582  0.127873  11.9592  0.124188  
1 1 1 31 16 2  o 6.61509  0.0680728 43.7639      0.900616 44.7959      1.34239  42.9191      1.21451  6.69223  0.100295  6.55064  0.0927018 
1 1 1 31 16 3  o 10.7355  0.0843953 115.268      1.81204  112.03       2.53526  118.651      2.59089  10.5827  0.119783  10.891   0.118946  
1 1 1 31 16 4  o 20.6678  0.151167  427.381      6.2486   422.532      8.85276  432.194      8.82104  20.5447  0.215451  20.7786  0.212263  
1 1 1 31 16 5  f 5.39097  0.0726354 29.0661      0.78315  29.4174      1.09415  28.6972      1.12144  5.42313  0.100878  5.35628  0.104685  
1 1 1 31 16 6  o 9.85412  0.0863125 97.1212      1.70107  95.0837      2.37963  99.2505      2.43259  9.74931  0.122041  9.96063  0.12211   
1 1 1 31 16 7  o 9.46235  0.0844132 89.5524      1.59749  91.62        2.28578  87.5783      2.23352  9.57008  0.119423  9.35661  0.119355  
1 1 1 31 16 8  o 18.9619  0.144074  359.756      5.46385  358.06       7.79005  361.399      7.66555  18.9116  0.20596   19       0.201725  
1 1 1 31 16 9  o 4.4616   0.0895332 19.9104      0.798923 20.5932      1.09012  19.1182      1.17426  4.53703  0.120135  4.3713   0.134315  
1 1 1 31 16 10 o 3.35391  0.0867774 11.2513      0.582088 11.2084      0.921752 11.2798      0.750718 3.34693  0.137701  3.35789  0.111784  
1 1 1 31 16 11 o 8.83581  0.0831133 78.0896      1.46875  78.9931      2.21498  77.3807      1.96216  8.88548  0.124641  8.79478  0.111553  
1 1 1 31 16 12 o 13.1157  0.0975418 172.084      2.55865  172.391      3.62075  171.777      3.61621  13.1249  0.137934  13.1015  0.138007  
1 1 1 31 16 13 o 16.9366  0.132982  287.078      4.50454  287.462      6.2187   286.653      6.53372  16.9418  0.183532  16.9165  0.193117  
1 1 1 31 16 14 o 3.07431  0.108367  9.45699      0.666309 8.09319      0.916381 10.9868      0.970557 2.84299  0.161165  3.31284  0.146484  
1 1 1 31 16 15 o 8.37237  0.0775176 70.1206      1.29801  68.8372      1.80974  71.4802      1.86275  8.29402  0.109099  8.45168  0.1102    
1 1 1 31 16 16 o 1.75148  0.173646  3.07362      0.608275 2.46494      0.822832 3.80709      0.903241 1.5427   0.276722  1.94777  0.231865  
1 1 1 31 16 17 o 4.3044   0.0914861 18.5393      0.787585 18.5215      1.12692  18.5564      1.10116  4.30089  0.13101   4.30506  0.127891  
1 1 1 31 16 18 o 5.41421  0.0864007 29.3333      0.935582 27.7613      1.32783  30.8831      1.31845  5.26514  0.126096  5.55374  0.118699  
1 1 1 31 16 19 o 1.19165  0.283618  1.4896       0.667107 1.7507       0.936453 1.22056      0.95057  1.29355  0.352453  1.11948  0.367564  
1 1 1 31 16 20 o 2.10146  0.159059  4.42957      0.668511 5.01445      0.918783 3.77159      0.97451  2.2336   0.205673  1.93467  0.251855  
1 1 1 31 16 21 o 5.45042  0.0841297 29.7365      0.917084 31.2234      1.32922  28.3858      1.26693  5.58223  0.119058  5.32253  0.119015  
1 1 1 31 16 22 o 2.51508  0.138386  6.34489      0.696103 6.75165      0.936184 5.84193      1.04102  2.59162  0.180617  2.408    0.216158  
1 1 1 31 16 23 o 0.802717 0.298472  0.506371     0.639469 1.18048      0.879062 -0.251284    0.931943 1.08915  0.353449  0.736276 0.32471   
1 1 1 31 16 24 o 2.43374  0.141377  5.94764      0.688151 6.08081      0.953442 5.80284      0.994223 2.45641  0.194072  2.39831  0.207276  
1 1 1 31 16 25 o 2.43315  0.143124  5.94914      0.696482 5.94316      0.948674 5.95613      1.02579  2.42683  0.195456  2.42763  0.211274  
1 1 1 31 16 26 o 0.972782 0.318835  0.941118     0.715237 1.73353      0.945891 -0.116892    1.09297  1.27497  0.356939  0.821867 0.35719   
1 1 1 31 16 27 o 5.53588  0.091422  30.7274      1.0122   30.626       1.40205  30.8378      1.46282  5.51979  0.127002  5.53768  0.132079  
1 1 1 31 16 28 o 3.32141  0.133869  11.1029      0.889271 10.8328      1.1966   11.4362      1.32904  3.27155  0.18288   3.358    0.197892  
1 1 1 31 16 29 o 2.91953  0.14577   8.59513      0.851162 8.52788      1.17717  8.66881      1.23216  2.89676  0.203188  2.91875  0.211076  
1 1 1 31 16 30 o 2.68542  0.156775  7.29451      0.842014 6.25486      1.18978  8.33769      1.1918   2.46768  0.241073  2.85862  0.208457  
1 1 1 31 16 31 o 3.66222  0.131097  13.5366      0.960216 14.2101      1.3602   12.8676      1.35571  3.73616  0.182032  3.55218  0.190827  
1 1 1 31 16 32 f 3.25757  0.142744  10.743       0.929999 10.6046      1.25916  10.9091      1.37949  3.2191   0.195577  3.25863  0.211668  
1 1 1 31 16 33 o 0.777872 0.33112   0.126622     0.904311 1.592        1.2581   -1.43976     1.30074  1.21466  0.422224  0.701363 0.334772  
1 1 1 31 16 34 o 0.657518 0.298975  -0.405607    0.86105  0.245507     1.21828  -1.0555      1.21714  0.900163 0.383786  0.709281 0.333144  
1 1 1 31 16 35 o 0.755601 0.326961  0.04764      0.908299 -0.865272    1.27132  0.999504     1.29816  0.745595 0.347847  1.06044  0.41754   
1 1 1 31 16 36 o 1.13592  0.36166   1.50822      0.92359  2.34106      1.3187   0.706346     1.29396  1.3672   0.431831  0.977238 0.404874  
1 1 1 31 16 37 o 0.95217  0.353328  0.956153     0.895222 1.32639      1.24178  0.555514     1.29177  1.08639  0.413042  0.934373 0.396682  
1 1 1 31 16 38 f 0.507362 0.250157  -1.69631     0.918431 0.142877     1.2559   -3.81058     1.34655  0.833882 0.371296  0.525719 0.265755  
1 1 1 31 16 39 o 0.797032 0.337382  0.445629     0.929952 1.10185      1.27248  -0.306652    1.36243  0.985104 0.403985  0.782416 0.363115  
1 1 1 31 16 40 o 1.27774  0.380896  2.38062      1.04582  2.6687       1.44688  2.06543      1.51339  1.24787  0.450877  1.10884  0.445814  
1 1 1 31 16 41 o 0.755951 0.344241  0.377563     1.1508   -0.826922    1.7347   1.32432      1.53796  0.728526 0.356338  0.917197 0.409565  
1 1 1 31 16 42 o 0.783551 0.349119  0.74511      1.11202  1.68277      1.65115  -0.0332257   1.50435  0.917523 0.416344  0.732631 0.352156  
1 1 1 31 17 0  o 18.7441  0.188268  351.589      7.05619  351.589      7.05619  351.589      7.05619  18.7474  0.133087  ?        ?         
1 1 1 31 17 1  o 29.9178  0.206306  895.953      12.3445  889.958      17.5488  901.826      17.368   29.8022  0.294422  30.0012  0.289454  
1 1 1 31 17 2  o 4.92397  0.0674369 24.2481      0.664115 25.3189      0.99084  23.3747      0.894876 5.03122  0.0984692 4.83425  0.0925559 
1 1 1 31 17 3  o 11.4353  0.0871067 130.79       1.99219  129.33       2.79033  132.308      2.84522  11.3703  0.122703  11.5004  0.123701  
1 1 1 31 17 4  o 5.86978  0.0735342 34.4588      0.863259 35.2489      1.21612  33.6564      1.2256   5.93631  0.102431  5.80062  0.105644  
1 1 1 31 17 5  o 8.7775   0.0832548 77.058       1.46154  78.1396      2.10611  76.0533      2.02986  8.83807  0.11915   8.71936  0.1164    
1 1 1 31 17 6  o 12.3262  0.0996272 151.974      2.45605  152.82       3.4847   151.14       3.46216  12.3588  0.140981  12.2907  0.140845  
1 1 1 31 17 7  o 12.7082  0.108092  161.55       2.74731  163.237      3.84279  159.786      3.92923  12.7725  0.150433  12.6365  0.155472  
1 1 1 31 17 8  o 11.2775  0.0935507 127.214      2.11004  125.685      2.95974  128.796      3.00896  11.2081  0.132036  11.3459  0.132601  
1 1 1 31 17 9  o 18.9059  0.145554  357.667      5.50367  364.421      7.92588  351.377      7.64827  19.0771  0.207732  18.733   0.204138  
1 1 1 31 17 10 o 8.98447  0.0906002 80.7429      1.62799  83.6668      2.40289  78.2619      2.21342  9.14432  0.131387  8.84426  0.125133  
1 1 1 31 17 11 o 14.5017  0.10533   210.388      3.05493  212.474      4.3713   208.397      4.27111  14.5702  0.150008  14.4299  0.147995  
1 1 1 31 17 12 f 4.54385  0.0815172 20.6526      0.740803 20.3525      1.09431  20.9064      1.0065   4.5099   0.121323  4.57112  0.110093  
1 1 1 31 17 13 o 14.8529  0.116439  220.754      3.4589   222.682      4.80827  218.686      4.97947  14.913   0.16121   14.7777  0.168479  
1 1 1 31 17 14 o 9.51077  0.0836963 90.4896      1.59203  92.0877      2.27312  88.951       2.23044  9.59255  0.118483  9.42778  0.118291  
1 1 1 31 17 15 o 13.4269  0.100533  180.393      2.69968  177.525      3.75799  183.452      3.88083  13.3157  0.141111  13.5358  0.143354  
1 1 1 31 17 16 o 4.5912   0.0786557 21.0883      0.722248 20.5426      0.990011 21.7091      1.05601  4.53048  0.109261  4.65718  0.113374  
1 1 1 31 17 17 o 6.65225  0.0856171 44.279       1.13909  43.1672      1.51747  45.714       1.72407  6.56656  0.115546  6.75667  0.127583  
1 1 1 31 17 18 o 3.395    0.10007   11.5377      0.679474 11.5616      0.956529 11.5134      0.965375 3.39685  0.140796  3.38968  0.142399  
1 1 1 31 17 19 o 7.10323  0.0865174 50.4983      1.22911  50.8786      1.77472  50.1478      1.70388  7.1267   0.124512  7.07573  0.120403  
1 1 1 31 17 20 o 5.90184  0.08119   34.8617      0.958341 35.4935      1.37375  34.2627      1.33757  5.95247  0.115393  5.84844  0.114353  
1 1 1 31 17 21 o 7.57294  0.0847346 57.4102      1.28338  57.5752      1.7935   57.2371      1.83724  7.57994  0.118306  7.55721  0.121555  
1 1 1 31 17 22 o 6.90844  0.0808951 47.7799      1.11772  48.0388      1.59738  47.5315      1.56451  6.92309  0.115366  6.88668  0.11359   
1 1 1 31 17 23 o 4.21265  0.0918117 17.7759      0.773541 19.0378      1.08211  16.4571      1.10619  4.35664  0.124191  4.04933  0.136589  
1 1 1 31 17 24 o 3.43576  0.107692  11.8342      0.740004 10.8076      1.00965  13.0258      1.08775  3.2791   0.153953  3.60026  0.151066  
1 1 1 31 17 25 o 1.70912  0.204146  2.95228      0.697818 2.73822      0.926948 3.23226      1.06013  1.61215  0.298708  1.75077  0.314162  
1 1 1 31 17 26 o 2.29887  0.161886  5.32566      0.744313 5.57123      1.00435  5.02647      1.10859  2.34464  0.214179  2.22181  0.24948   
1 1 1 31 17 27 o 3.27084  0.120813  10.7509      0.790318 10.3589      1.10262  11.1652      1.13337  3.20242  0.172154  3.32505  0.17043   
1 1 1 31 17 28 o 0.835111 0.328464  0.449435     0.802552 0.776478     1.09182  0.0650285    1.1837   1.00666  0.385964  0.883021 0.377446  
1 1 1 31 17 29 o 3.13833  0.13253   9.91828      0.831846 8.96428      1.17047  10.8919      1.18244  2.97091  0.196987  3.27889  0.180311  
1 1 1 31 17 30 o 1.16353  0.325116  1.46922      0.785486 0.764023     1.10027  2.2022       1.12173  0.995824 0.386165  1.40841  0.386637  
1 1 1 31 17 31 o 2.30062  0.193608  5.40614      0.890839 5.61559      1.23892  5.18192      1.28184  2.32283  0.266684  2.22404  0.288179  
1 1 1 31 17 32 f 0.702745 0.308892  -0.125048    0.836368 -0.541086    1.13056  0.377884     1.24303  0.749897 0.341408  0.941473 0.393855  
1 1 1 31 17 33 o 1.00786  0.355714  1.02887      0.89589  0.867065     1.25067  1.1994       1.28394  1.03517  0.40912   1.11706  0.421371  
1 1 1 31 17 34 o 1.15823  0.356711  1.50275      0.90725  1.87503      1.28104  1.12813      1.28506  1.28163  0.426701  1.09468  0.419013  
1 1 1 31 17 35 o 1.68471  0.276845  3.04576      0.932805 3.20623      1.32249  2.88689      1.3159   1.63782  0.405393  1.54706  0.416146  
1 1 1 31 17 36 o 2.11261  0.220272  4.72494      0.930698 4.97771      1.29944  4.4587       1.33364  2.11418  0.307316  1.95007  0.355083  
1 1 1 31 17 37 o 2.48459  0.189059  6.48336      0.939469 6.06238      1.32903  6.9038       1.32819  2.33266  0.284874  2.50669  0.26493   
1 1 1 31 17 38 o 1.84556  0.263501  3.83426      0.972617 2.93496      1.34521  4.81935      1.40791  1.44702  0.432117  1.94732  0.374877  
1 1 1 31 17 39 o 1.05255  0.373376  1.47665      0.988192 0.711722     1.35901  2.33485      1.43948  0.910351 0.396984  1.23106  0.449237  
1 1 1 31 17 40 o 0.639624 0.300359  -0.411606    0.987533 -0.0688764   1.36276  -0.79061     1.43306  0.769058 0.359315  0.710834 0.342173  
1 1 1 31 17 41 o 0.884625 0.373137  1.23386      1.13092  0.214835     1.73507  1.98655      1.4912   0.791806 0.380015  0.996158 0.424655  
1 1 1 31 17 42 o 0.497788 0.250482  -2.1408      1.12103  -2.07493     1.72966  -2.18851     1.47206  0.624093 0.314019  0.574452 0.289046  
1 1 1 31 18 0  o 14.6733  0.166657  215.463      4.8894   215.463      4.8894   215.463      4.8894   14.676   0.117806  ?        ?         
1 1 1 31 18 1  o 6.98479  0.0697966 48.7932      0.975029 47.283       1.35162  50.4318      1.4079   6.87544  0.0982936 7.10066  0.0991384 
1 1 1 31 18 2  o 13.9464  0.103609  194.555      2.88996  190.814      3.89233  199.152      4.31419  13.8101  0.140923  14.108   0.152899  
1 1 1 31 18 3  o 14.3141  0.107309  204.953      3.07206  206.987      4.51138  203.195      4.19497  14.3825  0.156836  14.2507  0.147185  
1 1 1 31 18 4  o 3.86174  0.0884349 14.9161      0.683026 13.3867      0.96544  16.4488      0.966451 3.65794  0.131965  4.05495  0.119169  
1 1 1 31 18 5  o 21.0485  0.158298  443.34       6.66387  443.328      9.30221  443.352      9.55099  21.0414  0.221046  21.0412  0.226959  
1 1 1 31 18 6  o 9.96102  0.0919703 99.2454      1.83224  100.046      2.58298  98.4342      2.59944  9.99996  0.12915   9.919    0.131034  
1 1 1 31 18 7  o 13.6139  0.111217  185.407      3.02819  186.2        4.22706  184.57       4.34021  13.6407  0.154943  13.5805  0.159795  
1 1 1 31 18 8  o 4.1412   0.0882828 17.1537      0.731193 16.5682      1.0557   17.6934      1.0137   4.06934  0.129714  4.20541  0.120524  
1 1 1 31 18 9  f 6.01464  0.0783545 36.1833      0.942547 37.5747      1.39441  35.0127      1.27899  6.12849  0.113764  5.91599  0.108096  
1 1 1 31 18 10 o 11.642   0.0939865 135.582      2.18839  137.889      3.21474  133.59       2.98744  11.7384  0.136932  11.5545  0.129277  
1 1 1 31 18 11 o 10.5953  0.0858438 112.295      1.81907  113.038      2.66188  111.645      2.49167  10.6283  0.125226  10.563   0.117943  
1 1 1 31 18 12 o 10.0489  0.0894745 101.02       1.79825  103.297      2.64141  99.052       2.45502  10.1594  0.129998  9.94884  0.123382  
1 1 1 31 18 13 o 3.36879  0.0961822 11.3544      0.648035 10.1247      0.918458 12.5734      0.914474 3.18016  0.144404  3.54433  0.129005  
1 1 1 31 18 14 o 9.27616  0.0826015 86.082       1.53245  86.7167      2.19768  85.4813      2.13798  9.30832  0.118049  9.24193  0.115667  
1 1 1 31 18 15 o 7.7961   0.0775856 60.8036      1.20973  60.3325      1.65102  61.3497      1.77762  7.76444  0.106319  7.8292   0.113525  
1 1 1 31 18 16 o 3.47428  0.0963425 12.0792      0.669441 12.5748      0.928556 11.5427      0.966021 3.54374  0.131013  3.39479  0.14228   
1 1 1 31 18 17 o 7.9515   0.081935  63.2656      1.30301  62.8822      1.7697   63.7196      1.92563  7.92526  0.111649  7.97709  0.120698  
1 1 1 31 18 18 o 10.0502  0.0851201 101.086      1.71095  99.9409      2.42664  102.217      2.41272  9.98914  0.121464  10.1025  0.119412  
1 1 1 31 18 19 o 4.46419  0.0941724 19.9504      0.840807 18.8602      1.21759  20.9441      1.16248  4.33766  0.140351  4.572    0.127131  
1 1 1 31 18 20 o 2.95534  0.119166  8.75136      0.704352 9.27236      1.01297  8.26367      0.980052 3.03915  0.166654  2.8688   0.170812  
1 1 1 31 18 21 o 5.53142  0.0854696 30.6317      0.945535 31.5859      1.31074  29.5963      1.36531  5.61406  0.116737  5.43345  0.12564   
1 1 1 31 18 22 o 6.14701  0.079191  37.8289      0.973576 38.2376      1.37435  37.4173      1.37935  6.17667  0.111253  6.10985  0.112879  
1 1 1 31 18 23 o 4.41029  0.0910856 19.4837      0.803428 18.8413      1.11698  20.1723      1.15649  4.33333  0.128882  4.48378  0.128964  
1 1 1 31 18 24 o 7.67266  0.0852662 58.969       1.30844  57.872       1.7804   60.2572      1.92938  7.59531  0.117204  7.74868  0.124497  
1 1 1 31 18 25 o 2.39738  0.152341  5.78423      0.730439 6.09571      0.962177 5.36056      1.12218  2.4561   0.195875  2.29663  0.244309  
1 1 1 31 18 26 o 6.34749  0.0877907 40.3865      1.1145   40.1597      1.53643  40.6384      1.61911  6.32273  0.1215    6.35889  0.127311  
1 1 1 31 18 27 o 0.597698 0.27225   -0.434055    0.720872 -0.44552     0.979696 -0.420518    1.06451  0.715708 0.322942  0.754731 0.33878   
1 1 1 31 18 28 o 4.60406  0.108314  21.2908      0.997373 21.5839      1.3857   20.9758      1.43667  4.62629  0.149764  4.55861  0.157578  
1 1 1 31 18 29 o 0.907566 0.321882  0.762006     0.734382 0.697296     1.01507  0.833076     1.06378  0.962148 0.371366  1.0099   0.382781  
1 1 1 31 18 30 o 4.60407  0.108997  21.3256      1.00366  20.0732      1.41945  22.5778      1.41933  4.45158  0.159433  4.72453  0.150208  
1 1 1 31 18 31 o 2.99077  0.157588  9.07482      0.942618 8.74746      1.26218  9.48765      1.4174   2.91785  0.216286  3.03201  0.23374   
1 1 1 31 18 32 o 2.42525  0.183141  6.01179      0.888328 5.87802      1.20441  6.17137      1.3155   2.37449  0.253614  2.42596  0.27113   
1 1 1 31 18 33 o 4.22941  0.125543  18.1007      1.06195  17.9596      1.48373  18.2488      1.52059  4.1886   0.177116  4.2205   0.180144  
1 1 1 31 18 34 o 1.12823  0.358759  1.42669      0.909042 2.01378      1.30984  0.88118      1.26261  1.31245  0.43147   1.03033  0.409848  
1 1 1 31 18 35 o 1.27101  0.35223   1.88618      0.925719 2.54273      1.3315   1.2719       1.28792  1.43726  0.430053  1.10617  0.42062   
1 1 1 31 18 36 o 1.02132  0.357435  1.17051      0.902918 1.70467      1.20799  0.494281     1.35917  1.18797  0.413655  0.944749 0.404163  
1 1 1 31 18 37 o 1.96844  0.245496  4.22653      0.966487 4.27052      1.3297   4.17726      1.40723  1.86688  0.369267  1.81732  0.398074  
1 1 1 31 18 38 o 1.05608  0.360543  1.40915      0.914603 0.383422     1.27394  2.50021      1.31388  0.865456 0.380814  1.32841  0.432134  
1 1 1 31 18 39 o 1.17768  0.379952  1.95227      1.01691  2.86634      1.44505  1.05549      1.43131  1.33511  0.453193  0.958906 0.412625  
1 1 1 31 18 40 o 1.86229  0.290889  4.29759      1.08344  4.11277      1.56249  4.46875      1.50363  1.54437  0.466627  1.668    0.44311   
1 1 1 31 18 41 o 0.831079 0.360495  1.00961      1.10924  2.35852      1.67147  -0.0520003   1.48283  1.01059  0.440483  0.730885 0.350906  
1 1 1 31 18 42 o 0.640257 0.305529  -0.0652075   1.08169  -0.223722    1.58422  0.0732319    1.48051  0.689102 0.337945  0.700492 0.339356  
1 1 1 31 19 0  f 6.70499  0.096856  44.9907      1.29823  44.9907      1.29823  44.9907      1.29823  6.70625  0.0684586 ?        ?         
1 1 1 31 19 1  o 13.4345  0.104167  180.538      2.79887  177.869      4.01085  183.071      3.90757  13.3327  0.150414  13.5266  0.14444   
1 1 1 31 19 2  f 7.05416  0.0696982 49.7677      0.983325 48.9401      1.40936  50.5527      1.37263  6.99476  0.100744  7.10914  0.0965397 
1 1 1 31 19 3  f 12.0497  0.0937661 145.231      2.25971  145.061      3.13845  145.414      3.25623  12.0413  0.13032   12.0557  0.135049  
1 1 1 31 19 4  o 16.8215  0.130599  283.1        4.39375  280.685      6.01044  285.87       6.43908  16.746   0.179459  16.899   0.190516  
1 1 1 31 19 5  o 3.47897  0.0935159 12.1063      0.650678 12.1148      0.917822 12.0977      0.922591 3.47974  0.131881  3.47728  0.13266   
1 1 1 31 19 6  o 2.0028   0.157177  4.01423      0.629591 3.63746      0.905898 4.36624      0.875626 1.90558  0.237697  2.08816  0.209664  
1 1 1 31 19 7  o 22.4354  0.179929  503.865      8.07355  502.406      11.7292  505.179      11.1298  22.39    0.26193   22.4542  0.247833  
1 1 1 31 19 8  o 8.78951  0.0829799 77.2738      1.4587   78.815       2.10844  75.8588      2.02023  8.87562  0.118777  8.70767  0.116003  
1 1 1 31 19 9  o 13.0353  0.101881  169.988      2.65611  171.172      3.78135  168.834      3.73175  13.078   0.144569  12.9885  0.143656  
1 1 1 31 19 10 o 9.55656  0.0840872 91.3558      1.60717  93.1377      2.31943  89.7102      2.22902  9.64773  0.120206  9.46867  0.117705  
1 1 1 31 19 11 o 9.91474  0.093048  98.3424      1.84509  99.015       2.63679  97.6972      2.58276  9.94645  0.132549  9.88016  0.130704  
1 1 1 31 19 12 o 7.46297  0.0774423 55.7134      1.1559   56.3617      1.67497  55.124       1.59718  7.505    0.11159   7.4223   0.107593  
1 1 1 31 19 13 o 9.86087  0.0853344 97.2778      1.68294  101.22       2.42701  93.6268      2.3357   10.0566  0.120668  9.672    0.120745  
1 1 1 31 19 14 o 4.00426  0.085912  16.0417      0.688028 17.0043      0.98521  15.1253      0.961268 4.1217   0.119515  3.88719  0.123645  
1 1 1 31 19 15 o 8.10948  0.0779192 65.7928      1.26377  65.3669      1.811    66.1971      1.76439  8.08122  0.11205   8.13262  0.108476  
1 1 1 31 19 16 o 6.34355  0.0760252 40.2607      0.96454  40.1901      1.34489  40.3354      1.38408  6.33648  0.106123  6.34776  0.109021  
1 1 1 31 19 17 o 4.64098  0.0834254 21.5543      0.774351 21.6058      1.09221  21.5022      1.09801  4.6449   0.117571  4.6337   0.118481  
1 1 1 31 19 18 o 8.50596  0.0841473 72.4095      1.43151  71.5633      1.9918   73.3136      2.05877  8.45282  0.117819  8.55527  0.120322  
1 1 1 31 19 19 o 6.49514  0.0836727 42.2257      1.08693  40.5197      1.59506  43.7046      1.48513  6.35892  0.125419  6.60545  0.112417  
1 1 1 31 19 20 o 7.56701  0.084185  57.3196      1.27406  57.7032      1.77903  56.9157      1.82544  7.5885   0.117219  7.53602  0.121114  
1 1 1 31 19 21 o 1.75488  0.180805  3.09668      0.634581 3.63429      0.882249 2.5204       0.91343  1.89764  0.232459  1.54951  0.305629  
1 1 1 31 19 22 f 3.0875   0.114116  9.55683      0.70467  8.64068      1.0059   10.4397      0.987466 2.93113  0.171589  3.22372  0.153156  
1 1 1 31 19 23 o 5.92934  0.0844031 35.2106      1.00091  35.0062      1.39635  35.4267      1.43546  5.90786  0.118178  5.94285  0.120772  
1 1 1 31 19 24 o 4.56899  0.091145  20.9189      0.832882 21.5573      1.14628  20.2049      1.21223  4.63419  0.123677  4.48482  0.135148  
1 1 1 31 19 25 o 1.87715  0.187981  3.55964      0.705739 3.63346      0.929736 3.45928      1.08408  1.88985  0.245982  1.83714  0.295046  
1 1 1 31 19 26 o 3.51103  0.111287  12.3769      0.781464 11.8035      1.08548  12.9938      1.12595  3.42149  0.158627  3.5902   0.156808  
1 1 1 31 19 27 o 2.46381  0.157282  6.12431      0.775027 5.23253      1.06665  7.12168      1.12803  2.26485  0.235478  2.64698  0.213079  
1 1 1 31 19 28 o 2.51623  0.161511  6.39678      0.8128   6.49849      1.12204  6.28446      1.17902  2.52464  0.222218  2.47928  0.237775  
1 1 1 31 19 29 o 1.30814  0.293194  1.84641      0.74798  1.85849      1.03152  1.83301      1.08621  1.3026   0.375384  1.29602  0.388554  
1 1 1 31 19 30 o 1.98298  0.209518  4.0256       0.83094  4.29547      1.19929  3.77644      1.15237  2.0249   0.296136  1.89635  0.303837  
1 1 1 31 19 31 o 0.869419 0.337591  0.570848     0.841455 0.387437     1.13242  0.796962     1.25736  0.913469 0.378625  1.03302  0.409597  
1 1 1 31 19 32 o 3.10349  0.149294  9.7817       0.926665 8.96177      1.277    10.6937      1.34679  2.9457   0.216756  3.22135  0.209041  
1 1 1 31 19 33 o 3.83658  0.13281   14.9177      1.01908  15.4628      1.44322  14.3756      1.43917  3.8813   0.185919  3.73893  0.192458  
1 1 1 31 19 34 f 0.665946 0.302971  -0.399448    0.886869 -0.299272    1.25034  -0.500878    1.25814  0.813604 0.366097  0.788186 0.359192  
1 1 1 31 19 35 o 0.58177  0.277611  -0.964807    0.892868 -1.80258     1.21907  0.00464043   1.31138  0.623718 0.30381   0.862705 0.382212  
1 1 1 31 19 36 o 0.655162 0.298522  -0.341389    0.868242 -0.112707    1.22382  -0.573133    1.23198  0.809956 0.363415  0.749403 0.346833  
1 1 1 31 19 37 f 1.64165  0.298751  3.13716      0.944622 2.17479      1.30079  4.21092      1.37401  1.27115  0.429976  1.82247  0.388476  
1 1 1 31 19 38 o 1.5917   0.304051  3.03619      0.933282 3.19411      1.29115  2.86341      1.35058  1.52311  0.413342  1.41268  0.435254  
1 1 1 31 19 39 o 0.832561 0.352605  0.672104     1.01663  1.58979      1.42374  -0.282561    1.45214  1.03721  0.426668  0.773438 0.363455  
1 1 1 31 19 40 o 2.1569   0.25793   5.57498      1.11266  5.28211      1.56254  5.87624      1.58476  1.82704  0.433563  1.96625  0.415799  
1 1 1 31 19 41 o 0.696731 0.321803  0.245435     1.05364  0.25248      1.50405  0.238646     1.47648  0.751476 0.359     0.747458 0.35675   
1 1 1 31 19 42 o 0.554335 0.273848  -0.907078    1.1142   -0.0115006   1.72198  -1.55207     1.46135  0.685737 0.339167  0.572507 0.288067  
1 1 1 31 20 0  f 7.11097  0.106928  50.6085      1.51995  50.6085      1.51995  50.6085      1.51995  7.11247  0.0755745 ?        ?         
1 1 1 31 20 1  o 3.38197  0.0896895 11.4404      0.606655 11.8071      0.829669 11.0191      0.889314 3.43542  0.120752  3.31864  0.133988  
1 1 1 31 20 2  o 17.5363  0.125481  307.664      4.40096  305.67       6.04637  309.911      6.41804  17.4758  0.172993  17.5957  0.182375  
1 1 1 31 20 3  o 1.19599  0.180076  1.43177      0.430739 2.00143      0.653066 0.993144     0.573059 1.41359  0.230995  0.982973 0.278682  
1 1 1 31 20 4  o 12.5064  0.105112  156.464      2.62916  156.613      3.83211  156.331      3.61386  12.51    0.153162  12.4993  0.144563  
1 1 1 31 20 5  o 9.27944  0.0842438 86.1272      1.56347  86.5916      2.21792  85.6684      2.20431  9.30338  0.1192    9.25365  0.119105  
1 1 1 31 20 6  o 10.1285  0.100129  102.621      2.02832  104.002      2.73394  100.929      3.02506  10.1951  0.134081  10.0426  0.150612  
1 1 1 31 20 7  o 13.4585  0.10853   181.208      2.92129  180.633      4.12288  181.788      4.13983  13.4343  0.153447  13.4771  0.153587  
1 1 1 31 20 8  o 8.52899  0.0811319 72.7626      1.38395  72.837       2.02076  72.6968      1.89928  8.53209  0.118421  8.52414  0.111406  
1 1 1 31 20 9  o 7.78849  0.0792856 60.6773      1.23503  63.4165      1.81599  58.3201      1.68459  7.96114  0.114054  7.63469  0.110325  
1 1 1 31 20 10 o 12.6311  0.106521  159.63       2.69094  161.7        3.90971  157.767      3.70932  12.7089  0.153817  12.554   0.147735  
1 1 1 31 20 11 o 10.2392  0.0939837 104.89       1.92464  107.724      2.73569  102.112      2.70822  10.3743  0.131849  10.1003  0.134066  
1 1 1 31 20 12 o 8.46761  0.0811079 71.7274      1.37358  71.5629      1.98653  71.8781      1.90134  8.45615  0.117461  8.47505  0.112173  
1 1 1 31 20 13 o 10.1921  0.0851532 103.925      1.73577  104.054      2.43969  103.793      2.4701   10.1961  0.119639  10.1831  0.121284  
1 1 1 31 20 14 o 5.96746  0.0748871 35.6247      0.893771 36.1507      1.25613  35.0853      1.27199  6.01019  0.1045    5.92084  0.107416  
1 1 1 31 20 15 o 1.69097  0.173389  2.86639      0.586392 3.16469      0.820203 2.5545       0.838672 1.77507  0.231034  1.59375  0.263112  
1 1 1 31 20 16 o 7.03653  0.075397  49.5404      1.06107  48.7947      1.4886   50.3105      1.51284  6.98144  0.106611  7.08905  0.106703  
1 1 1 31 20 17 o 6.03353  0.0770873 36.4272      0.930216 35.6428      1.304    37.2399      1.32737  5.96626  0.109281  6.09849  0.108827  
1 1 1 31 20 18 o 12.7457  0.106228  162.678      2.7079   158.894      3.71357  166.975      3.95711  12.5884  0.1475    12.9031  0.153339  
1 1 1 31 20 19 o 9.2662   0.0875153 85.9552      1.62187  87.0952      2.35499  84.9268      2.2369   9.32196  0.126314  9.20596  0.121492  
1 1 1 31 20 20 o 3.59992  0.105192  12.9821      0.757364 12.2042      1.02954  13.8994      1.11807  3.48739  0.147609  3.7215   0.150218  
1 1 1 31 20 21 o 4.62561  0.0856682 21.4249      0.792535 21.1585      1.10553  21.7065      1.13675  4.59377  0.12033   4.65269  0.12216   
1 1 1 31 20 22 o 5.02715  0.088226  25.3123      0.88705  25.2144      1.30438  25.3966      1.2099   5.0128   0.130105  5.03213  0.120217  
1 1 1 31 20 23 o 0.965991 0.299334  0.951267     0.637546 0.75187      0.894035 1.15758      0.909414 0.956238 0.353442  1.08384  0.359519  
1 1 1 31 20 24 o 4.05188  0.104056  16.4657      0.843243 15.3463      1.13181  17.8623      1.2642   3.90647  0.144863  4.2137   0.150011  
1 1 1 31 20 25 o 2.80793  0.131537  7.92579      0.738695 7.62326      1.01311  8.2692       1.07939  2.74694  0.184406  2.86027  0.188686  
1 1 1 31 20 26 o 3.42886  0.116018  11.812       0.795623 11.9875      1.11753  11.6316      1.13299  3.44648  0.162127  3.39401  0.16691   
1 1 1 31 20 27 o 2.46286  0.156129  6.11928      0.769046 6.42082      1.04307  5.76014      1.13835  2.51422  0.207435  2.37521  0.239633  
1 1 1 31 20 28 o 4.61087  0.102867  21.3505      0.948616 20.5634      1.31618  22.2013      1.36843  4.51529  0.145747  4.69165  0.145837  
1 1 1 31 20 29 o 1.26209  0.295088  1.7246       0.732272 1.82228      0.993125 1.60823      1.08401  1.2881   0.367408  1.22431  0.392016  
1 1 1 31 20 30 o 1.62     0.262526  2.72791      0.850582 4.33625      1.15547  0.825371     1.25671  2.0358   0.283787  1.04177  0.41062   
1 1 1 31 20 31 o 2.57214  0.171664  6.73846      0.883086 7.98772      1.27314  5.5801       1.22594  2.78034  0.228953  2.31115  0.265223  
1 1 1 31 20 32 o 0.90525  0.346437  0.689861     0.878309 1.7632       1.17777  -0.654937    1.31832  1.2528   0.409139  0.795475 0.364375  
1 1 1 31 20 33 o 3.3251   0.151521  11.256       1.00765  10.2632      1.36493  12.4451      1.49383  3.14588  0.216939  3.46496  0.215563  
1 1 1 31 20 34 o 1.00014  0.350369  1.05298      0.867752 2.24746      1.24029  -0.0923038   1.21449  1.3721   0.415976  0.831611 0.368207  
1 1 1 31 20 35 o 1.67246  0.263482  3.02696      0.881329 2.6163       1.24289  3.44228      1.24992  1.45097  0.410112  1.69279  0.378734  
1 1 1 31 20 36 o 0.817316 0.332677  0.49093      0.856462 0.51457      1.20702  0.466957     1.21547  0.906542 0.384085  0.899619 0.383442  
1 1 1 31 20 37 o 1.04572  0.362225  1.34787      0.925258 -0.458546    1.28708  3.27979      1.33105  0.757695 0.352138  1.55795  0.418289  
1 1 1 31 20 38 o 1.03903  0.359599  1.38666      0.911722 0.415154     1.28943  2.358        1.28932  0.862405 0.38093   1.27501  0.428076  
1 1 1 31 20 39 o 0.794654 0.343497  0.5366       1.0005   0.332275     1.40668  0.745783     1.42331  0.827729 0.377996  0.884952 0.394617  
1 1 1 31 20 40 f 2.3456   0.238513  6.59166      1.11891  4.90672      1.55941  8.37965      1.6064   1.65463  0.456592  2.48325  0.323446  
1 1 1 31 20 41 o 0.745842 0.333604  0.562081     1.02416  0.652823     1.46408  0.475128     1.43318  0.795342 0.371921  0.773711 0.363056  
1 1 1 31 21 0  o 4.43924  0.10967   19.7466      0.972359 19.7466      0.972359 19.7466      0.972359 4.44148  0.0774554 ?        ?         
1 1 1 31 21 1  o 8.22882  0.0709543 67.7241      1.16774  66.9455      1.63359  68.5376      1.66988  8.18074  0.0998434 8.27743  0.100869  
1 1 1 31 21 2  o 16.9194  0.120063  286.395      4.06276  284.159      5.63823  288.81       5.85939  16.8495  0.167311  16.9864  0.172473  
1 1 1 31 21 3  o 8.5303   0.0751129 72.7793      1.28147  72.6627      1.81161  72.896       1.81294  8.52269  0.106282  8.53636  0.106189  
1 1 1 31 21 4  o 17.0464  0.130804  290.746      4.45945  291.278      6.38314  290.238      6.23279  17.0568  0.187114  17.0268  0.183029  
1 1 1 31 21 5  o 6.0124   0.0780659 36.1567      0.938727 37.1963      1.33287  35.1336      1.32231  6.09758  0.109295  5.92605  0.111568  
1 1 1 31 21 6  o 19.8729  0.156299  395.298      6.21222  398.856      8.86867  391.872      8.70445  19.9526  0.222244  19.7775  0.22006   
1 1 1 31 21 7  o 9.05524  0.0847274 82.0217      1.53445  81.648       2.17721  82.3905      2.16296  9.03319  0.120511  9.07424  0.119181  
1 1 1 31 21 8  o 8.24141  0.0789243 67.9399      1.3009   67.8688      1.84381  68.0104      1.83571  8.23591  0.111937  8.24452  0.111329  
1 1 1 31 21 9  f 6.75729  0.0848492 45.6768      1.1467   46.1687      1.72548  45.2877      1.53461  6.7921   0.127021  6.7275   0.114055  
1 1 1 31 21 10 o 13.0022  0.116494  169.179      3.02936  178.103      4.5992   162.34       4.02609  13.3351  0.172447  12.733   0.158097  
1 1 1 31 21 11 o 4.51951  0.0873009 20.4349      0.789115 21.2754      1.12014  19.6068      1.11186  4.61059  0.121475  4.42596  0.125607  
1 1 1 31 21 12 o 6.39051  0.0761851 40.8534      0.973723 43.2656      1.39475  38.5598      1.36002  6.57533  0.106059  6.20731  0.10955   
1 1 1 31 21 13 o 4.86706  0.0739309 23.6973      0.719653 24.0343      1.01998  23.3631      1.01552  4.90062  0.104067  4.83167  0.10509   
1 1 1 31 21 14 o 1.19004  0.233818  1.47104      0.536674 2.62419      0.765191 0.354617     0.752902 1.61635  0.236703  0.802152 0.317302  
1 1 1 31 21 15 o 8.77653  0.0782175 77.0712      1.37296  76.8255      1.92795  77.324       1.95565  8.76009  0.110042  8.78836  0.111264  
1 1 1 31 21 16 o 7.79743  0.0779393 60.8394      1.21545  60.8324      1.6932   60.8469      1.74583  7.79463  0.108613  7.79525  0.11198   
1 1 1 31 21 17 o 1.91748  0.157925  3.68747      0.605637 4.08088      0.876779 3.32847      0.837565 2.01451  0.217616  1.81874  0.23026   
1 1 1 31 21 18 o 2.24197  0.142694  5.04031      0.639831 4.90349      0.881834 5.1924       0.929784 2.20842  0.199652  2.27225  0.204596  
1 1 1 31 21 19 o 9.05926  0.0888455 82.1669      1.60975  82.3778      2.36719  81.9855      2.19554  9.06456  0.130574  9.04453  0.121374  
1 1 1 31 21 20 o 1.69346  0.188575  2.88528      0.63869  2.77727      0.908784 2.9907       0.897804 1.65579  0.274426  1.71928  0.261098  
1 1 1 31 21 21 o 4.31371  0.0922297 18.639       0.795705 19.4119      1.11729  17.8435      1.13348  4.39899  0.126994  4.21675  0.134402  
1 1 1 31 21 22 o 3.9316   0.0965361 15.4881      0.759082 14.6382      1.08059  16.3161      1.06656  3.81792  0.141515  4.03188  0.132265  
1 1 1 31 21 23 o 5.03501  0.0866297 25.3981      0.872362 24.9992      1.21858  25.8175      1.24941  4.9908   0.122083  5.07165  0.123176  
1 1 1 31 21 24 o 5.3449   0.0896661 28.6335      0.958514 29.5066      1.35757  27.7657      1.35352  5.41998  0.125238  5.25699  0.128735  
1 1 1 31 21 25 o 3.01966  0.126483  9.16479      0.76387  9.25451      1.07455  9.07312      1.08609  3.0268   0.177505  2.99636  0.181236  
1 1 1 31 21 26 o 2.87913  0.137084  8.34551      0.789364 8.43727      1.12171  8.25549      1.11103  2.885    0.194404  2.8537   0.194664  
1 1 1 31 21 27 o 2.13365  0.179397  4.60907      0.765541 4.12267      1.06743  5.12422      1.09851  2.00309  0.266446  2.23773  0.245453  
1 1 1 31 21 28 o 2.13219  0.182902  4.61269      0.779963 4.85266      1.10121  4.37111      1.10487  2.17245  0.253449  2.05842  0.268378  
1 1 1 31 21 29 o 1.07865  0.318272  1.2486       0.733047 1.36674      1.00965  1.1169       1.06602  1.1427   0.378814  1.07876  0.387284  
1 1 1 31 21 30 o 1.10108  0.34975   1.29865      0.864131 0.574524     1.14737  2.24773      1.31355  0.95829  0.386978  1.40956  0.428235  
1 1 1 31 21 31 o 1.74865  0.252728  3.18693      0.883869 2.73227      1.22324  3.68364      1.27855  1.54635  0.394248  1.81493  0.365065  
1 1 1 31 21 32 o 0.780255 0.328191  0.201561     0.870834 0.719971     1.17744  -0.424433    1.29386  0.98577  0.394517  0.817249 0.369816  
1 1 1 31 21 33 o 1.55333  0.310656  2.68513      0.930997 3.70172      1.3071   1.63836      1.32637  1.79222  0.376605  1.21649  0.432467  
1 1 1 31 21 34 o 1.00271  0.355461  1.06755      0.895504 2.11242      1.31083  0.153148     1.22626  1.32145  0.431633  0.86979  0.378185  
1 1 1 31 21 35 f 2.4215   0.186666  6.11551      0.904026 5.1867       1.2706   7.06773      1.28652  2.1657   0.293346  2.56101  0.251174  
1 1 1 31 21 36 o 0.685736 0.310305  -0.216988    0.910961 -0.705031    1.30622  0.245148     1.27108  0.747258 0.349915  0.868307 0.381237  
1 1 1 31 21 37 o 1.79218  0.261193  3.61442      0.936211 4.75065      1.35632  2.5804       1.29389  1.94507  0.362167  1.35619  0.427678  
1 1 1 31 21 38 o 1.42338  0.348241  2.65268      0.984581 2.74164      1.40981  2.56798      1.37564  1.32476  0.447632  1.28795  0.442101  
1 1 1 31 21 39 o 0.935649 0.370521  1.19198      1.02769  1.62127      1.47457  0.786519     1.43306  1.02048  0.428048  0.887183 0.395779  
1 1 1 31 21 40 o 0.59765  0.289592  -0.75692     1.0791   -2.63712     1.54959  1.01336      1.50361  0.581648 0.292909  0.854067 0.390348  
1 1 1 31 21 41 o 0.746146 0.331323  0.650147     0.992947 0.127382     1.46715  1.09196      1.34878  0.728649 0.349642  0.827289 0.375641  
1 1 1 31 22 0  o 15.2298  0.153487  232.112      4.67408  232.112      4.67408  232.112      4.67408  15.2325  0.1085    ?        ?         
1 1 1 31 22 1  o 14.8923  0.106622  221.868      3.17569  221.754      4.4846   221.983      4.49763  14.8854  0.150637  14.8931  0.150997  
1 1 1 31 22 2  o 2.52398  0.107819  6.37313      0.544268 5.62695      0.737903 7.26344      0.806023 2.37109  0.155604  2.69399  0.149596  
1 1 1 31 22 3  o 7.14771  0.071986  51.0996      1.02907  51.4742      1.47227  50.7417      1.43895  7.17315  0.102624  7.12197  0.101022  
1 1 1 31 22 4  o 11.0744  0.0987231 122.688      2.1866   120.327      2.95752  125.535      3.2474   10.9655  0.134856  11.1997  0.144977  
1 1 1 31 22 5  o 12.287   0.105589  151.04       2.59476  153.238      3.79139  149.104      3.55873  12.3729  0.153213  12.2054  0.145785  
1 1 1 31 22 6  o 14.2908  0.110139  204.337      3.14794  207.242      4.56294  201.698      4.34853  14.3879  0.158569  14.1946  0.153175  
1 1 1 31 22 7  o 7.29594  0.0751859 53.2446      1.0971   51.9115      1.53619  54.6325      1.56736  7.20305  0.106635  7.38944  0.106054  
1 1 1 31 22 8  o 20.0886  0.156335  404.041      6.28112  405.698      9.04625  402.498      8.72799  20.1167  0.224844  20.0388  0.217777  
1 1 1 31 22 9  o 4.15035  0.09788   17.2342      0.812473 16.1064      1.22035  18.1322      1.08888  4.01081  0.152132  4.25634  0.127913  
1 1 1 31 22 10 o 10.6985  0.0968127 114.519      2.0715   116.423      2.95948  112.69       2.90049  10.7841  0.137214  10.6099  0.136688  
1 1 1 31 22 11 o 8.37556  0.0865475 70.1827      1.44977  69.4988      1.97715  70.9781      2.13217  8.33291  0.118635  8.42061  0.126604  
1 1 1 31 22 12 o 8.80572  0.0861654 77.5802      1.5175   79.0686      2.15214  76.1084      2.14004  8.88753  0.121076  8.71945  0.122716  
1 1 1 31 22 13 o 9.61765  0.0798749 92.5446      1.53642  92.2077      2.18447  92.8744      2.16136  9.59765  0.113802  9.63242  0.112192  
1 1 1 31 22 14 o 10.5485  0.0841628 111.342      1.77559  113.087      2.55141  109.703      2.47256  10.6274  0.12004   10.4674  0.118108  
1 1 1 31 22 15 o 8.96974  0.0795638 80.5094      1.42733  82.7013      2.03234  78.376       2.00505  9.08813  0.111813  8.84713  0.113316  
1 1 1 31 22 16 o 0.775037 0.283897  0.485626     0.575354 1.54692      0.831995 -0.487075    0.796512 1.21658  0.332541  0.632658 0.287639  
1 1 1 31 22 17 o 4.88384  0.0767416 23.87        0.749588 22.9639      1.04889  24.8158      1.07163  4.78837  0.109524  4.97783  0.107641  
1 1 1 31 22 18 o 10.0814  0.0913499 101.757      1.84187  100.951      2.54618  102.64       2.66765  10.0358  0.126855  10.1184  0.131821  
1 1 1 31 22 19 o 8.0294   0.08343   64.5437      1.33979  64.0034      1.92171  65.0547      1.86888  7.99081  0.120245  8.05683  0.115981  
1 1 1 31 22 20 o 4.87681  0.085073  23.815       0.82977  24.2985      1.19509  23.3649      1.15299  4.92266  0.121387  4.82737  0.119422  
1 1 1 31 22 21 o 2.79405  0.121102  7.83012      0.676731 7.75088      0.953344 7.91061      0.960785 2.77573  0.171729  2.80422  0.17131   
1 1 1 31 22 22 o 6.00298  0.0837122 36.0935      1.00505  36.2529      1.4138   35.9306      1.42902  6.01158  0.117589  5.98451  0.119394  
1 1 1 31 22 23 f 3.01841  0.115775  9.14353      0.698914 9.76186      0.980703 8.50538      0.996308 3.11415  0.157459  2.90506  0.171478  
1 1 1 31 22 24 o 4.57658  0.0970046 21.0042      0.887899 21.9288      1.23187  20.0046      1.28093  4.67069  0.131872  4.45892  0.143637  
1 1 1 31 22 25 o 3.30389  0.118998  10.9683      0.786314 11.4709      1.14698  10.5227      1.08006  3.37013  0.170169  3.22837  0.167277  
1 1 1 31 22 26 o 0.516744 0.247278  -0.960231    0.721243 -0.110268    0.998891 -1.88601     1.04249  0.782462 0.340788  0.568444 0.277618  
1 1 1 31 22 27 o 7.14308  0.0940623 51.2036      1.34379  49.3434      1.92928  52.9564      1.87279  6.99787  0.137848  7.25292  0.129106  
1 1 1 31 22 28 o 0.824516 0.318187  0.501711     0.745106 -0.992147    1.05126  2.00974      1.05623  0.662821 0.311008  1.34934  0.376998  
1 1 1 31 22 29 o 2.6596   0.151613  7.16363      0.806459 7.46892      1.12113  6.83628      1.16092  2.70073  0.207561  2.5785   0.225115  
1 1 1 31 22 30 o 4.11915  0.126132  17.1322      1.03911  17.1755      1.47541  17.0896      1.4637   4.10376  0.179764  4.09393  0.178765  
1 1 1 31 22 31 o 2.18407  0.205687  4.91278      0.898469 4.179        1.23537  5.73675      1.30909  1.97731  0.312385  2.33119  0.280777  
1 1 1 31 22 32 o 1.93759  0.240062  3.91967      0.930285 3.4332       1.25973  4.5032       1.37969  1.73515  0.373688  2.00382  0.357087  
1 1 1 31 22 33 o 1.82467  0.259437  3.52674      0.946771 3.55765      1.34512  3.49639      1.33284  1.74261  0.394996  1.72766  0.394279  
1 1 1 31 22 34 o 2.29552  0.205736  5.51655      0.944539 4.38788      1.3915   6.48094      1.28626  1.92941  0.373949  2.45378  0.262097  
1 1 1 31 22 35 o 1.96488  0.238817  4.14116      0.938494 5.20164      1.409    3.2955       1.25822  2.13714  0.329647  1.63732  0.389388  
1 1 1 31 22 36 o 0.885231 0.349664  0.750814     0.913102 0.270051     1.28342  1.2436       1.29937  0.867733 0.382021  1.05094  0.416485  
1 1 1 31 22 37 o 0.974387 0.352628  1.14842      0.885324 1.39958      1.24716  0.893285     1.25697  1.05361  0.410607  0.949478 0.396556  
1 1 1 31 22 38 o 1.18457  0.382172  2.00721      1.02883  2.56821      1.47391  1.47411      1.43677  1.24602  0.454589  1.02371  0.425534  
1 1 1 31 22 39 o 0.722269 0.325497  0.180461     0.992177 -0.139231    1.41305  0.491349     1.39346  0.763298 0.358643  0.835365 0.379974  
1 1 1 31 22 40 o 0.819378 0.350778  0.973724     1.0251   1.5832       1.49354  0.430886     1.40953  0.910447 0.405159  0.765953 0.35953   
1 1 1 31 22 41 o 0.747453 0.333225  0.815851     1.01438  -0.248711    1.4681   1.78834      1.40318  0.667906 0.32695   0.87511  0.390978  
1 1 1 31 23 0  o 3.94448  0.116753  15.6041      0.919232 15.6041      0.919232 15.6041      0.919232 3.94735  0.0824142 ?        ?         
1 1 1 31 23 1  o 11.6346  0.0918313 135.409      2.13683  135.071      2.95291  135.781      3.09604  11.6181  0.127082  11.6483  0.132897  
1 1 1 31 23 2  o 16.008   0.12165   256.413      3.89473  253.722      5.45624  259.209      5.56124  15.9188  0.171377  16.0899  0.172818  
1 1 1 31 23 3  o 10.0588  0.0905433 101.215      1.82151  99.76        2.54372  102.746      2.60955  9.98447  0.127384  10.1327  0.128769  
1 1 1 31 23 4  f 5.5774   0.0765897 31.1156      0.854343 30.6676      1.23061  31.5324      1.18702  5.53629  0.11114   5.61395  0.105721  
1 1 1 31 23 5  o 17.193   0.130274  295.832      4.47959  293.505      6.45225  297.996      6.22411  17.1178  0.188466  17.2495  0.180414  
1 1 1 31 23 6  o 6.17888  0.0780414 38.1898      0.964417 38.478       1.39503  37.926       1.33475  6.20116  0.112481  6.15665  0.108399  
1 1 1 31 23 7  o 6.2179   0.0810213 38.6753      1.00757  36.9544      1.41063  40.4677      1.43964  6.07692  0.116064  6.35934  0.113191  
1 1 1 31 23 8  o 12.6828  0.112563  160.966      2.85522  160.083      4.08816  161.806      3.98944  12.6434  0.161672  12.7118  0.156919  
1 1 1 31 23 9  o 7.54373  0.0821883 56.9303      1.24001  57.253       1.73303  56.5917      1.77501  7.56367  0.114563  7.51968  0.118024  
1 1 1 31 23 10 o 16.4392  0.12811   270.527      4.21206  272.334      5.91148  268.664      6.0031   16.4857  0.179291  16.3735  0.183318  
1 1 1 31 23 11 o 10.3313  0.093826  106.801      1.9387   111.686      2.8549   102.62       2.64103  10.5615  0.135157  10.1242  0.130432  
1 1 1 31 23 12 o 6.20236  0.0770836 38.4868      0.956201 38.4369      1.36151  38.5353      1.34322  6.19687  0.109855  6.20487  0.108239  
1 1 1 31 23 13 o 15.6055  0.114768  243.812      3.58201  248.161      5.1377   239.697      4.99669  15.7347  0.16326   15.4644  0.161554  
1 1 1 31 23 14 o 8.46093  0.0781128 71.6323      1.32181  73.2833      1.88452  70.0335      1.85449  8.55527  0.110138  8.36335  0.11087   
1 1 1 31 23 15 o 6.04375  0.0755814 36.55        0.91359  37.2906      1.34252  35.9113      1.2468   6.10251  0.109998  5.989    0.104091  
1 1 1 31 23 16 o 6.28636  0.0731597 39.5445      0.919816 38.6849      1.29016  40.433       1.31174  6.21557  0.103785  6.3545   0.103213  
1 1 1 31 23 17 o 5.12478  0.0793706 26.2865      0.813514 26.9745      1.1589   25.6181      1.14225  5.18916  0.111665  5.05692  0.112939  
1 1 1 31 23 18 o 3.84495  0.0892558 14.8017      0.686367 14.4551      0.985304 15.1285      0.956669 3.79702  0.129747  3.88496  0.123125  
1 1 1 31 23 19 o 3.12581  0.106834  9.79028      0.667883 9.87565      0.96069  9.71042      0.929157 3.13606  0.153168  3.11003  0.149381  
1 1 1 31 23 20 f 1.95391  0.158243  3.83668      0.618385 5.41262      0.903247 2.44636      0.848385 2.31784  0.194847  1.52762  0.288218  
1 1 1 31 23 21 o 4.33109  0.0910454 18.7917      0.788651 18.8327      1.10907  18.7498      1.12168  4.3321   0.128006  4.32235  0.129753  
1 1 1 31 23 22 f 4.29604  0.0926372 18.4951      0.795946 18.5622      1.11895  18.4263      1.13245  4.29942  0.130128  4.28337  0.132191  
1 1 1 31 23 23 o 3.721    0.102949  13.8876      0.766149 14.2971      1.0669   13.4517      1.1009   3.7705   0.14148   3.65596  0.150562  
1 1 1 31 23 24 o 2.52468  0.141583  6.41445      0.714904 6.3078       0.991095 6.53012      1.03221  2.49587  0.198547  2.53871  0.203295  
1 1 1 31 23 25 o 2.74548  0.136902  7.58864      0.75172  6.97492      1.06825  8.19065      1.05801  2.62133  0.20376   2.84413  0.185999  
1 1 1 31 23 26 o 4.17488  0.105249  17.5028      0.878803 17.5484      1.21875  17.4533      1.26837  4.17219  0.146056  4.15936  0.152471  
1 1 1 31 23 27 o 2.44379  0.159297  6.03499      0.778574 6.86128      1.13122  5.29127      1.07321  2.59368  0.218073  2.27389  0.235985  
1 1 1 31 23 28 o 2.07475  0.184428  4.37876      0.765281 5.65901      1.08849  3.12734      1.07616  2.34712  0.231877  1.69781  0.328657  
1 1 1 31 23 29 o 4.38867  0.112262  19.4009      0.98536  20.6819      1.37716  18.0573      1.41045  4.51737  0.15243   4.21528  0.167303  
1 1 1 31 23 30 o 0.892487 0.342941  0.638622     0.863521 0.62948      1.17699  0.649279     1.27081  0.974073 0.392523  1.0016   0.406108  
1 1 1 31 23 31 o 0.919607 0.34172   0.772302     0.837944 -0.0132131   1.1792   1.57355      1.19095  0.844258 0.36896   1.20028  0.411417  
1 1 1 31 23 32 o 1.59974  0.295476  2.80694      0.909831 2.45231      1.24995  3.20657      1.32689  1.44585  0.412115  1.65669  0.403617  
1 1 1 31 23 33 o 1.75291  0.273975  3.28799      0.960508 1.76165      1.36597  4.78078      1.35088  1.24109  0.439112  2.0869   0.323656  
1 1 1 31 23 34 o 3.30107  0.149591  11.1852      0.987623 11.3382      1.48385  11.0635      1.32331  3.26936  0.226933  3.2476   0.203737  
1 1 1 31 23 35 o 2.37058  0.193241  5.9022       0.916187 6.19777      1.31072  5.6198       1.28116  2.36998  0.276525  2.2505   0.284639  
1 1 1 31 23 36 o 2.21624  0.217631  5.30644      0.964645 5.24994      1.35662  5.36422      1.37194  2.11282  0.321044  2.13552  0.321219  
1 1 1 31 23 37 o 2.14052  0.212113  4.98558      0.908064 5.32289      1.28498  4.6491       1.28341  2.12411  0.302476  1.92999  0.344934  
1 1 1 31 23 38 o 1.72289  0.317913  3.79573      1.05432  4.26204      1.49445  3.33365      1.48763  1.64614  0.443787  1.40391  0.459821  
1 1 1 31 23 39 o 2.30593  0.236964  6.27756      1.09284  7.54223      1.60884  5.19409      1.48913  2.34148  0.343551  1.81577  0.418378  
1 1 1 31 23 40 o 0.751973 0.334289  0.623411     1.01437  -0.170731    1.46178  1.36099      1.40876  0.711354 0.343197  0.878022 0.392031  
1 1 1 31 23 41 o 0.76146  0.337922  1.00806      1.03083  0.316732     1.52779  1.58581      1.39666  0.695487 0.339008  0.819143 0.375145  
1 1 1 31 24 0  o 5.99193  0.109879  35.9494      1.31578  35.9494      1.31578  35.9494      1.31578  5.99385  0.077642  ?        ?         
1 1 1 31 24 1  o 5.78936  0.0737378 33.5251      0.853788 34.2301      1.24154  32.8925      1.17601  5.84911  0.10613   5.73379  0.10255   
1 1 1 31 24 2  o 4.87798  0.0808029 23.802       0.78831  22.2079      1.08726  25.5687      1.14463  4.71104  0.115395  5.05502  0.113217  
1 1 1 31 24 3  o 5.62015  0.0761407 31.5949      0.855844 31.9601      1.22342  31.2449      1.19769  5.65173  0.108234  5.58817  0.107163  
1 1 1 31 24 4  o 4.5506   0.082311  20.7149      0.749129 20.2433      1.0281   21.2487      1.09381  4.49781  0.114289  4.60803  0.118685  
1 1 1 31 24 5  o 21.2068  0.162004  450.334      6.87115  445.519      9.87597  454.851      9.56599  21.0777  0.234275  21.2997  0.224557  
1 1 1 31 24 6  o 11.241   0.116951  126.452      2.62928  128.271      3.90942  124.95       3.55283  11.3166  0.172729  11.1706  0.159027  
1 1 1 31 24 7  o 11.7166  0.116221  137.384      2.72342  136.004      3.88005  138.723      3.82357  11.653   0.166483  11.7693  0.162438  
1 1 1 31 24 8  o 6.71878  0.0896349 45.1637      1.20447  44.5863      1.63896  45.8417      1.77605  6.67426  0.122782  6.76714  0.131226  
1 1 1 31 24 9  o 20.6318  0.15479   426.325      6.38717  427.85       8.83192  424.653      9.24809  20.6539  0.213808  20.5734  0.224759  
1 1 1 31 24 10 o 4.35188  0.0837744 18.9481      0.729153 20.4988      1.03365  17.4122      1.02872  4.52548  0.114203  4.17055  0.123332  
1 1 1 31 24 11 o 9.89976  0.089818  98.0658      1.77835  98.8777      2.60422  97.3563      2.43431  9.93711  0.131035  9.86111  0.12343   
1 1 1 31 24 12 o 7.90253  0.0781986 62.4831      1.23593  62.7939      1.73997  62.1667      1.75588  7.92009  0.109845  7.88032  0.111409  
1 1 1 31 24 13 o 3.3005   0.0819517 10.9007      0.540962 12.5046      0.799241 9.54476      0.734877 3.53391  0.113082  3.08725  0.119018  
1 1 1 31 24 14 o 7.79983  0.0772903 60.8771      1.2057   61.1435      1.66743  60.5852      1.74548  7.81457  0.106688  7.77829  0.112202  
1 1 1 31 24 15 o 4.77227  0.0772097 22.7908      0.73693  22.0674      1.00915  23.6174      1.07868  4.69433  0.107486  4.85616  0.111063  
1 1 1 31 24 16 o 3.95397  0.084945  15.6493      0.67174  16.3776      0.957854 14.9444      0.942305 4.04306  0.118457  3.86188  0.122001  
1 1 1 31 24 17 o 2.52594  0.115944  6.39315      0.585738 6.4805       0.83824  6.3098       0.818819 2.54049  0.164976  2.50691  0.163312  
1 1 1 31 24 18 o 7.18834  0.0809193 51.7289      1.16335  51.5253      1.68063  51.9163      1.61197  7.1698   0.117202  7.19768  0.111978  
1 1 1 31 24 19 o 3.66148  0.0933628 13.4285      0.683692 14.1265      0.971217 12.7429      0.962614 3.75258  0.129407  3.56358  0.135063  
1 1 1 31 24 20 o 3.18308  0.107055  10.156       0.68153  9.68288      0.986118 10.5887      0.942986 3.10368  0.158862  3.24699  0.145209  
1 1 1 31 24 21 o 3.11313  0.110152  9.7188       0.685835 8.90874      0.964446 10.5475      0.975481 2.97573  0.162052  3.23921  0.150574  
1 1 1 31 24 22 o 4.38436  0.0916619 19.2663      0.803758 19.8395      1.10659  18.6262      1.16938  4.44493  0.124478  4.30517  0.135811  
1 1 1 31 24 23 o 4.61938  0.0921687 21.3931      0.851525 21.4205      1.1942   21.3648      1.21453  4.61669  0.129335  4.61026  0.131721  
1 1 1 31 24 24 o 3.26987  0.116009  10.7408      0.758667 9.93466      1.06118  11.5836      1.08505  3.1366   0.169161  3.38864  0.160101  
1 1 1 31 24 25 o 3.67551  0.113338  13.5714      0.833151 11.8542      1.16815  15.3494      1.18863  3.42505  0.17053   3.90151  0.152329  
1 1 1 31 24 26 f 2.27049  0.164451  5.21052      0.746769 6.32768      1.04803  4.0583       1.06434  2.49364  0.210141  1.98631  0.26792   
1 1 1 31 24 27 o 0.617078 0.27712   -0.292167    0.71301  -0.689203    1.00307  0.113337     1.01371  0.68408  0.315206  0.825746 0.35101   
1 1 1 31 24 28 o 2.43678  0.15973   6.0193       0.77845  6.73851      1.08791  5.26471      1.11435  2.56495  0.212073  2.25772  0.246787  
1 1 1 31 24 29 o 2.78696  0.154478  7.87812      0.861049 7.95675      1.21517  7.79883      1.22026  2.7812   0.218462  2.75232  0.221679  
1 1 1 31 24 30 o 2.60604  0.17436   6.93122      0.908781 7.19892      1.24691  6.62792      1.32727  2.63356  0.236735  2.51587  0.26378   
1 1 1 31 24 31 o 1.88392  0.223918  3.68397      0.843691 3.79148      1.18295  3.57266      1.20364  1.84924  0.331894  1.78543  0.349538  
1 1 1 31 24 32 o 1.53261  0.319736  2.63467      0.947984 2.48246      1.36993  2.77452      1.31317  1.43802  0.437418  1.52517  0.418172  
1 1 1 31 24 33 o 0.989583 0.35447   1.02683      0.89258  1.41473      1.27953  0.659148     1.24574  1.13973  0.422517  0.967505 0.398738  
1 1 1 31 24 34 o 2.22849  0.208902  5.23364      0.931068 5.13427      1.3378   5.32698      1.29662  2.14079  0.312455  2.19297  0.295632  
1 1 1 31 24 35 o 0.950807 0.355131  0.97358      0.907316 2.66471      1.26365  -0.826074    1.30356  1.43047  0.416537  0.732974 0.344417  
1 1 1 31 24 36 o 0.770673 0.327884  0.34477      0.885893 0.73339      1.24322  -0.0561176   1.26269  0.921552 0.390091  0.798643 0.362852  
1 1 1 31 24 37 o 0.891682 0.353183  0.89808      0.933943 0.420767     1.36556  1.31755      1.28016  0.864534 0.385992  1.01059  0.408486  
1 1 1 31 24 38 o 0.75301  0.334472  0.305558     1.01294  0.856349     1.47429  -0.186936    1.39409  0.902088 0.401958  0.761635 0.357513  
1 1 1 31 24 39 o 0.541949 0.264985  -1.01878     0.957044 0.129793     1.3783   -2.08814     1.32993  0.748025 0.352263  0.565245 0.282446  
1 1 1 31 24 40 o 1.28893  0.383078  2.81502      1.05891  2.77956      1.58674  2.84349      1.42185  1.07504  0.447051  1.13347  0.439101  
1 1 1 31 25 0  o 10.0229  0.124097  100.544      2.48676  100.544      2.48676  100.544      2.48676  10.025   0.0877162 ?        ?         
1 1 1 31 25 1  o 1.6147   0.169272  2.61111      0.546646 2.11582      0.7549   3.15714      0.792626 1.42826  0.274049  1.77456  0.22333   
1 1 1 31 25 2  o 12.173   0.097698  148.256      2.37856  149.065      3.35448  147.439      3.37318  12.2032  0.137442  12.1363  0.13897   
1 1 1 31 25 3  o 14.9359  0.110564  223.226      3.30275  227.029      4.78692  219.772      4.56273  15.0574  0.158956  14.8154  0.153986  
1 1 1 31 25 4  o 10.9614  0.0979299 120.217      2.14691  121.023      3.09192  119.466      2.98336  10.9951  0.140604  10.9245  0.136545  
1 1 1 31 25 5  o 6.05848  0.0802276 36.7185      0.972114 36.474       1.38101  36.9587      1.36863  6.03713  0.114376  6.07718  0.112604  
1 1 1 31 25 6  o 5.92628  0.0933295 35.1389      1.10619  35.4434      1.6715   34.9016      1.47555  5.94995  0.140463  5.90502  0.12494   
1 1 1 31 25 7  o 7.9731   0.0890614 63.6018      1.42019  63.1903      2.00341  64.0174      2.01353  7.94527  0.126076  7.99711  0.125891  
1 1 1 31 25 8  o 9.34957  0.0969442 87.4689      1.81277  88.4513      2.56355  86.4863      2.56374  9.39899  0.136374  9.29387  0.137927  
1 1 1 31 25 9  o 1.61379  0.222864  2.61356      0.719313 2.64543      1.03566  2.58386      0.999809 1.59001  0.336056  1.57206  0.328654  
1 1 1 31 25 10 o 4.75675  0.0880066 22.6404      0.837251 21.6004      1.1622   23.7624      1.20718  4.64476  0.125109  4.87172  0.123897  
1 1 1 31 25 11 o 2.22788  0.128122  4.97061      0.570881 4.7937       0.78168  5.17282      0.835721 2.18638  0.178762  2.271    0.183999  
1 1 1 31 25 12 o 4.80082  0.0833698 23.0641      0.800486 21.0452      1.11063  25.2467      1.15478  4.58413  0.121139  5.02127  0.114989  
1 1 1 31 25 13 o 3.0427   0.102882  9.26869      0.626076 10.3391      0.86379  8.08399      0.90873  3.2123   0.13445   2.83929  0.160028  
1 1 1 31 25 14 o 2.6572   0.101723  7.06936      0.540596 7.94184      0.761911 6.18484      0.767153 2.81507  0.135327  2.48342  0.154455  
1 1 1 31 25 15 o 2.1841   0.125482  4.78029      0.548132 5.04354      0.758804 4.49302      0.792655 2.24151  0.169262  2.11473  0.187412  
1 1 1 31 25 16 o 3.68811  0.0861301 13.6168      0.635314 12.5827      0.891909 14.6819      0.905177 3.5431   0.125866  3.82778  0.118238  
1 1 1 31 25 17 o 2.51727  0.116391  6.35048      0.585977 6.08104      0.833271 6.61408      0.824196 2.46024  0.169348  2.5664   0.160574  
1 1 1 31 25 18 o 5.9147   0.0788616 35.0233      0.932885 36.5354      1.3865   33.7724      1.26101  6.03719  0.11483   5.80516  0.108611  
1 1 1 31 25 19 o 4.38827  0.0852692 19.2851      0.748369 21.045       1.06943  17.5963      1.04762  4.58123  0.116718  4.18822  0.125067  
1 1 1 31 25 20 o 4.48561  0.0845595 20.1524      0.758603 20.5187      1.10747  19.8286      1.04124  4.52235  0.122445  4.44627  0.117091  
1 1 1 31 25 21 o 2.26199  0.141138  5.14231      0.638503 4.63006      0.889728 5.68626      0.916843 2.14016  0.207865  2.37348  0.193143  
1 1 1 31 25 22 o 1.6971   0.193932  2.91125      0.658244 3.04096      0.893061 2.75697      0.973989 1.72747  0.258489  1.61258  0.313174  
1 1 1 31 25 23 o 3.77905  0.102482  14.3288      0.774572 14.4663      1.12441  14.2047      1.06855  3.7901   0.148335  3.75674  0.142217  
1 1 1 31 25 24 o 3.12787  0.122142  9.83625      0.764086 10.3251      1.04827  9.28217      1.11607  3.19771  0.16391   3.02806  0.184288  
1 1 1 31 25 25 o 2.21401  0.169423  4.95477      0.750209 5.4214       1.03849  4.44545      1.08495  2.30639  0.225132  2.08187  0.260571  
1 1 1 31 25 26 o 1.69135  0.212397  2.91292      0.718473 4.16408      1.0062   1.61139      1.02625  2.01502  0.249674  1.22861  0.379586  
1 1 1 31 25 27 o 3.18565  0.123009  10.2258      0.783731 10.1402      1.11031  10.3107      1.10642  3.15995  0.175686  3.18698  0.173584  
1 1 1 31 25 28 o 1.41178  0.274048  2.14102      0.746175 1.93368      1.03482  2.3656       1.07694  1.3179   0.374764  1.4547   0.369353  
1 1 1 31 25 29 o 2.84676  0.155292  8.22604      0.884157 8.77796      1.21516  7.60512      1.28887  2.92315  0.20785   2.70977  0.23782   
1 1 1 31 25 30 o 2.79204  0.158574  7.93912      0.885489 8.8525       1.27646  7.09184      1.2294   2.92491  0.218205  2.61074  0.235451  
1 1 1 31 25 31 o 1.14473  0.344754  1.45925      0.853822 1.91492      1.24178  1.05066      1.17588  1.29484  0.420077  1.06069  0.402324  
1 1 1 31 25 32 o 0.526861 0.25795   -1.62378     0.914829 -1.85247     1.31981  -1.41229     1.2692   0.662207 0.320716  0.685739 0.328118  
1 1 1 31 25 33 f 0.879796 0.341694  0.683828     0.862132 1.47287      1.2599   -0.0109753   1.18227  1.14192  0.419932  0.823121 0.364017  
1 1 1 31 25 34 o 0.90022  0.347337  0.76912      0.887793 0.00780721   1.28073  1.47334      1.23176  0.844207 0.375447  1.1253   0.415077  
1 1 1 31 25 35 o 0.762622 0.324922  0.275671     0.87217  -0.12319     1.21789  0.695565     1.24959  0.791103 0.358347  0.933682 0.39295   
1 1 1 31 25 36 o 1.60353  0.300951  3.06555      0.929587 2.11764      1.32809  3.97599      1.30158  1.22307  0.432956  1.74819  0.38276   
1 1 1 31 25 37 o 0.9987   0.368267  1.3447       0.969525 0.995962     1.37103  1.69353      1.3712   0.939021 0.403954  1.0691   0.426529  
1 1 1 31 25 38 o 0.707675 0.320359  0.112051     0.971883 1.953        1.39146  -1.64154     1.35805  1.0802   0.430073  0.622862 0.30677   
1 1 1 31 25 39 o 0.878513 0.353341  1.21807      0.951176 0.683241     1.34996  1.74536      1.34042  0.794883 0.366034  0.95317  0.404343  
1 1 1 31 25 40 o 1.4158   0.36422   3.30254      1.03705  4.12071      1.52668  2.60156      1.41312  1.30674  0.464034  1.03539  0.425353  
1 1 1 31 26 0  o 20.6794  0.212865  428.325      8.80177  428.325      8.80177  428.325      8.80177  20.6877  0.15044   ?        ?         
1 1 1 31 26 1  o 7.86937  0.0783549 61.9487      1.23321  61.7812      1.74607  62.1153      1.74197  7.85734  0.111111  7.87858  0.110551  
1 1 1 31 26 2  o 1.92036  0.128044  3.69126      0.491781 2.80683      0.671009 4.71762      0.722848 1.67342  0.20049   2.17027  0.166534  
1 1 1 31 26 3  f 13.2643  0.103102  176.053      2.73517  178.172      3.85713  173.909      3.87919  13.3399  0.144571  13.1791  0.147172  
1 1 1 31 26 4  o 17.4168  0.141159  303.711      4.91707  304.111      6.69083  303.242      7.25041  17.4193  0.192053  17.3909  0.208454  
1 1 1 31 26 5  o 7.61021  0.0828938 57.9402      1.26168  59.3653      1.78959  56.5318      1.77902  7.7016   0.116183  7.51544  0.118357  
1 1 1 31 26 6  o 4.0342   0.103944  16.2863      0.838662 17.6955      1.23559  15.0825      1.14202  4.20359  0.146968  3.88083  0.147136  
1 1 1 31 26 7  o 5.93921  0.0876901 35.2931      1.04162  35.0295      1.44427  35.5788      1.50367  5.91548  0.122076  5.96147  0.126116  
1 1 1 31 26 8  o 5.3185   0.0885162 28.3029      0.941547 27.5846      1.29139  29.118       1.37571  5.24913  0.12301   5.39282  0.12755   
1 1 1 31 26 9  o 8.54424  0.0904947 73.0523      1.54642  74.0598      2.19399  72.0575      2.18     8.60011  0.127556  8.48297  0.128493  
1 1 1 31 26 10 o 4.5673   0.0914183 20.8759      0.835069 20.4406      1.2097   21.2721      1.15419  4.51748  0.133891  4.60892  0.125213  
1 1 1 31 26 11 o 5.47696  0.0819663 30.0177      0.897851 29.7166      1.3222   30.2754      1.22309  5.44722  0.121365  5.49885  0.111213  
1 1 1 31 26 12 o 1.10429  0.247318  1.27623      0.532553 0.985526     0.715301 1.63778      0.797706 0.997214 0.318356  1.24895  0.318342  
1 1 1 31 26 13 o 2.37774  0.128097  5.6645       0.609162 6.026        0.807844 5.18804      0.92746  2.45087  0.164807  2.27216  0.204092  
1 1 1 31 26 14 o 3.62722  0.084421  13.169       0.612427 14.5144      0.895475 11.9868      0.839444 3.80632  0.11763   3.45885  0.121347  
1 1 1 31 26 15 o 6.87789  0.0738253 47.3423      1.01552  47.2252      1.43952  47.4583      1.43284  6.86662  0.10482   6.88363  0.104076  
1 1 1 31 26 16 o 1.83878  0.146404  3.39248      0.538409 3.0634       0.763979 3.7172       0.758897 1.74363  0.219077  1.92207  0.197417  
1 1 1 31 26 17 o 1.51484  0.184138  2.30849      0.557881 1.67645      0.796148 2.91822      0.781968 1.25918  0.316295  1.70031  0.229949  
1 1 1 31 26 18 o 2.33659  0.126503  5.47684      0.591169 5.78812      0.843926 5.17693      0.82837  2.39857  0.175923  2.26787  0.182632  
1 1 1 31 26 19 o 3.53853  0.0912484 12.5432      0.645771 11.7719      0.902249 13.3535      0.92468  3.42479  0.131723  3.6481   0.126734  
1 1 1 31 26 20 o 2.76692  0.116129  7.68046      0.642641 7.4271       0.92217  7.91967      0.896055 2.71596  0.169769  2.80568  0.159686  
1 1 1 31 26 21 o 5.66694  0.0855107 32.1791      0.969168 31.0006      1.30921  33.6079      1.44154  5.55727  0.117793  5.78495  0.124594  
1 1 1 31 26 22 o 2.86708  0.125038  8.25918      0.716987 7.99568      0.981289 8.56096      1.05015  2.81472  0.174314  2.91158  0.180341  
1 1 1 31 26 23 o 2.81376  0.130658  7.96345      0.735279 7.50594      1.02029  8.45779      1.06056  2.72325  0.18733   2.89149  0.183393  
1 1 1 31 26 24 o 2.69274  0.139958  7.30164      0.753741 7.74186      1.07181  6.87093      1.06019  2.76371  0.193908  2.60181  0.20374   
1 1 1 31 26 25 o 0.885125 0.312803  0.723982     0.692983 0.953411     0.953999 0.467689     1.00831  1.01896  0.366317  0.905974 0.364042  
1 1 1 31 26 26 o 0.997196 0.316918  1.03395      0.709442 0.193553     1.00863  1.85681      0.998057 0.84105  0.353457  1.30202  0.367344  
1 1 1 31 26 27 o 1.7525   0.212851  3.14482      0.746043 2.39809      1.05443  3.89335      1.0557   1.47086  0.360706  1.93536  0.272739  
1 1 1 31 26 28 o 2.99266  0.136858  9.05526      0.819142 8.81695      1.13615  9.31324      1.1821   2.93699  0.193421  3.01768  0.195862  
1 1 1 31 26 29 o 3.53737  0.133139  12.6597      0.941924 14.8156      1.32331  10.4457      1.34103  3.81118  0.173609  3.1855   0.210489  
1 1 1 31 26 30 o 2.65767  0.164156  7.20644      0.872546 7.31483      1.22514  7.09487      1.24299  2.65191  0.230992  2.60852  0.238256  
1 1 1 31 26 31 o 1.03892  0.3486    1.15983      0.85501  1.87558      1.24596  0.522776     1.17546  1.27743  0.420816  0.937953 0.387072  
1 1 1 31 26 32 o 0.973094 0.355139  0.954697     0.899629 1.0055       1.24586  0.899345     1.30043  1.04517  0.409762  1.03253  0.414035  
1 1 1 31 26 33 o 1.7361   0.255535  3.25077      0.887267 3.89271      1.29757  2.68703      1.21597  1.80735  0.371713  1.47437  0.401581  
1 1 1 31 26 34 o 1.07975  0.356742  1.38066      0.895417 2.25345      1.31545  0.627104     1.2223   1.31798  0.432393  0.930531 0.389988  
1 1 1 31 26 35 o 0.626294 0.292148  -0.516507    0.896384 -0.443446    1.29422  -0.583867    1.2427   0.762043 0.353756  0.730407 0.341895  
1 1 1 31 26 36 o 0.606894 0.283365  -0.470532    0.845801 -0.636012    1.19707  -0.305561    1.19522  0.70067  0.329473  0.740895 0.342407  
1 1 1 31 26 37 o 0.896167 0.358526  1.00024      0.971899 1.98865      1.43352  0.159423     1.32217  1.10587  0.437707  0.796605 0.364899  
1 1 1 31 26 38 f 1.08564  0.371648  1.81577      0.971807 1.37005      1.37571  2.25972      1.37298  0.946268 0.405772  1.11783  0.431809  
1 1 1 31 26 39 o 1.27009  0.363121  2.59935      0.968989 2.14565      1.35403  3.07561      1.38729  1.01166  0.416114  1.20054  0.440731  
1 1 1 31 26 40 o 0.619632 0.296511  -0.0271326   1.03698  -0.871588    1.42509  0.923159     1.51176  0.605597 0.301153  0.745069 0.35689   
1 1 1 31 27 0  o 5.03645  0.104821  25.4075      1.05482  25.4075      1.05482  25.4075      1.05482  5.03852  0.0740529 ?        ?         
1 1 1 31 27 1  o 7.79593  0.0737191 60.7973      1.14942  60.3396      1.60383  61.2806      1.64811  7.76522  0.10327   7.82543  0.105305  
1 1 1 31 27 2  o 5.67598  0.0719361 32.2274      0.816616 33.3525      1.15452  31.1009      1.15522  5.7733   0.0999875 5.57489  0.10361   
1 1 1 31 27 3  o 10.19    0.0854355 103.885      1.74117  105.382      2.46174  102.386      2.46304  10.2607  0.11996   10.1137  0.121768  
1 1 1 31 27 4  o 14.976   0.123911  224.511      3.71139  228.843      5.27191  220.254      5.22578  15.1119  0.174429  14.8253  0.176245  
1 1 1 31 27 5  o 5.37587  0.0895136 28.9161      0.962426 29.3775      1.37972  28.4789      1.34317  5.417    0.127351  5.33357  0.125916  
1 1 1 31 27 6  o 8.24554  0.0921108 68.0312      1.51901  67.2994      2.14442  68.7682      2.152    8.19841  0.130783  8.28747  0.129834  
1 1 1 31 27 7  o 3.5676   0.110854  12.74        0.790968 12.4834      1.12641  12.9895      1.11095  3.52964  0.159564  3.60072  0.154267  
1 1 1 31 27 8  o 10.6927  0.0992343 114.429      2.12216  113.352      2.93003  115.617      3.07781  10.6381  0.137714  10.7431  0.143245  
1 1 1 31 27 9  f 6.17826  0.0822091 38.1952      1.01582  39.6992      1.50923  36.9495      1.37351  6.29649  0.119847  6.07497  0.113047  
1 1 1 31 27 10 o 4.73239  0.0855739 22.4126      0.809938 20.68        1.13395  24.2171      1.15726  4.54388  0.124777  4.91758  0.117666  
1 1 1 31 27 11 o 11.9019  0.101399  141.815      2.41367  140.682      3.34531  143.045      3.48592  11.848   0.141176  11.9462  0.145901  
1 1 1 31 27 12 o 3.42422  0.0924577 11.737       0.63319  11.7148      0.812773 11.7714      1.00993  3.41984  0.118832  3.42655  0.147368  
1 1 1 31 27 13 o 8.30947  0.0856156 69.1132      1.42284  71.8907      2.06021  66.5804      1.9674   8.47066  0.121608  8.15194  0.120671  
1 1 1 31 27 14 o 0.894767 0.257084  0.826646     0.484523 0.329037     0.695718 1.29531      0.675181 0.769493 0.304815  1.11187  0.297639  
1 1 1 31 27 15 o 6.08476  0.0702476 37.0524      0.854879 36.936       1.21348  37.1671      1.20454  6.07278  0.0999112 6.09185  0.0988645 
1 1 1 31 27 16 o 1.20939  0.223289  1.52156      0.51979  1.51638      0.744789 1.52649      0.725768 1.1989   0.308801  1.20264  0.301931  
1 1 1 31 27 17 o 3.44508  0.0908765 11.8873      0.626154 12.2551      0.888535 11.5245      0.882527 3.49533  0.127103  3.38929  0.130193  
1 1 1 31 27 18 o 2.05118  0.141943  4.22488      0.582301 4.34789      0.816914 4.09783      0.830245 2.07692  0.196665  2.01554  0.205961  
1 1 1 31 27 19 o 4.1913   0.0810778 17.5934      0.679642 17.2288      0.955146 17.9672      0.967288 4.1445   0.115231  4.23249  0.114269  
1 1 1 31 27 20 o 1.96735  0.152565  3.89405      0.600295 3.93808      0.847572 3.84974      0.850324 1.97264  0.214832  1.95004  0.218027  
1 1 1 31 27 21 o 5.64287  0.0851364 31.9094      0.960826 31.479       1.3594   32.339       1.35822  5.59865  0.121405  5.67496  0.119668  
1 1 1 31 27 22 o 2.6756   0.135019  7.20089      0.722515 8.29556      1.00443  6.02713      1.04008  2.86586  0.175241  2.43696  0.213398  
1 1 1 31 27 23 o 2.27928  0.162541  5.24459      0.740954 5.2334       1.00633  5.25783      1.09502  2.2675   0.221902  2.26917  0.241282  
1 1 1 31 27 24 o 2.42849  0.151833  5.94902      0.73745  5.64703      1.03534  6.26002      1.05066  2.35481  0.219834  2.48095  0.211745  
1 1 1 31 27 25 o 2.53787  0.143046  6.49417      0.726065 5.7805       1.0092   7.25994      1.04538  2.38245  0.211798  2.67355  0.195504  
1 1 1 31 27 26 o 2.80489  0.136926  7.94164      0.768126 6.103        1.07759  9.8409       1.09521  2.44077  0.220749  3.11295  0.175912  
1 1 1 31 27 27 o 2.68252  0.143958  7.28094      0.772337 7.64098      1.1      6.93088      1.08466  2.73271  0.201266  2.60047  0.208551  
1 1 1 31 27 28 o 2.14644  0.186184  4.70589      0.799265 4.13417      1.13385  5.27055      1.12684  1.98334  0.285845  2.25222  0.250162  
1 1 1 31 27 29 o 2.37696  0.182644  5.7845       0.868276 5.9131       1.15952  5.62033      1.31008  2.38194  0.243398  2.30535  0.284138  
1 1 1 31 27 30 o 1.46881  0.302341  2.37858      0.857752 3.61853      1.24526  1.25912      1.18321  1.79064  0.360374  1.1145   0.407232  
1 1 1 31 27 31 o 1.80007  0.235968  3.39879      0.84952  2.86916      1.18498  3.95883      1.21852  1.5688   0.380941  1.87701  0.336813  
1 1 1 31 27 32 o 0.677632 0.304625  -0.236068    0.863651 -1.24435     1.22908  0.747353     1.21384  0.681094 0.325174  0.974807 0.396295  
1 1 1 31 27 33 o 2.22107  0.210322  5.20524      0.934278 5.66781      1.35947  4.79124      1.28612  2.25636  0.301252  2.06764  0.311011  
1 1 1 31 27 34 o 0.831181 0.340799  0.52284      0.905388 0.835176     1.29933  0.228052     1.2623   0.975758 0.405076  0.861687 0.379114  
1 1 1 31 27 35 o 0.936361 0.350292  1.008        0.883452 -0.237835    1.26975  2.177        1.22998  0.775662 0.356261  1.2548   0.41811   
1 1 1 31 27 36 o 1.12089  0.351896  1.66973      0.877278 1.98061      1.27365  1.38909      1.2101   1.15881  0.422598  1.02167  0.402858  
1 1 1 31 27 37 o 1.27636  0.360897  2.30716      0.962303 3.64453      1.36356  0.980153     1.35826  1.5217   0.429385  0.911555 0.397197  
1 1 1 31 27 38 o 0.741671 0.327589  0.512098     0.953479 0.283409     1.36471  0.730184     1.3327   0.763528 0.357557  0.815679 0.371174  
1 1 1 31 27 39 o 0.763078 0.335616  0.694962     0.988574 -0.604406    1.34691  2.21232      1.45551  0.65865  0.320519  1.00843  0.424237  
1 1 1 31 28 0  o 13.494   0.146387  182.29       3.94964  182.29       3.94964  182.29       3.94964  13.4977  0.103469  ?        ?         
1 1 1 31 28 1  o 7.38862  0.0727667 54.6121      1.07529  57.416       1.5883   52.2396      1.46104  7.57436  0.104847  7.22505  0.101109  
1 1 1 31 28 2  o 1.6714   0.145493  2.79783      0.486357 2.05012      0.66092  3.68095      0.718281 1.42906  0.231243  1.91614  0.187429  
1 1 1 31 28 3  o 15.5642  0.114978  242.479      3.57908  242.922      5.0101   242.016      5.11469  15.571   0.160879  15.5413  0.164552  
1 1 1 31 28 4  o 2.11829  0.135823  4.4934       0.575424 3.45272      0.859896 5.33733      0.774355 1.85434  0.231861  2.30778  0.16777   
1 1 1 31 28 5  o 7.60307  0.0860342 57.8405      1.30825  58.2049      1.81811  57.4492      1.88393  7.62489  0.119222  7.57485  0.124354  
1 1 1 31 28 6  o 5.21821  0.0940424 27.25        0.981466 26.9574      1.3436   27.5847      1.43712  5.18837  0.129482  5.24795  0.136922  
1 1 1 31 28 7  o 4.66278  0.0890701 21.7572      0.830628 20.8312      1.12311  22.8752      1.23408  4.56097  0.123122  4.77918  0.12911   
1 1 1 31 28 8  o 4.11467  0.0928503 16.9451      0.764096 17.6902      1.05792  16.1324      1.10479  4.20268  0.125863  4.01275  0.13766   
1 1 1 31 28 9  o 5.65995  0.0836071 32.0588      0.946423 31.7607      1.33201  32.3626      1.34497  5.63152  0.118264  5.68462  0.118299  
1 1 1 31 28 10 o 6.33065  0.0834563 40.1082      1.05666  40.8096      1.50556  39.4273      1.48338  6.38329  0.11793   6.27423  0.118212  
1 1 1 31 28 11 o 1.51425  0.221696  2.3064       0.671406 2.0323       0.900912 2.6488       1.00693  1.38912  0.32894   1.58861  0.328107  
1 1 1 31 28 12 o 4.40393  0.0902283 19.4154      0.794719 19.4874      1.12398  19.3433      1.12382  4.40975  0.127443  4.39339  0.1279    
1 1 1 31 28 13 o 5.17612  0.0779908 26.8154      0.807379 27.6382      1.17191  26.072       1.11391  5.25254  0.111556  5.10174  0.10917   
1 1 1 31 28 14 f 3.27174  0.0823278 10.7154      0.53871  10.8823      0.783511 10.5657      0.741894 3.29524  0.118885  3.24721  0.114235  
1 1 1 31 28 15 o 6.07214  0.0718783 36.9033      0.87291  37.1273      1.26249  36.698       1.20826  6.08763  0.103693  6.05274  0.0998108 
1 1 1 31 28 16 o 2.35612  0.120564  5.56645      0.568126 5.25132      0.811961 5.8687       0.795204 2.28482  0.177686  2.41641  0.164543  
1 1 1 31 28 17 o 8.28724  0.0792141 68.7661      1.31293  67.8877      1.80603  69.7506      1.91204  8.22937  0.109731  8.34059  0.114623  
1 1 1 31 28 18 o 4.63399  0.079319  21.5037      0.735127 21.6946      1.05157  21.3213      1.02808  4.65122  0.113043  4.6112   0.111476  
1 1 1 31 28 19 o 2.55018  0.115516  6.52511      0.589175 7.05822      0.835147 5.9969       0.831304 2.64854  0.157662  2.44004  0.170346  
1 1 1 31 28 20 o 4.81015  0.083565  23.1833      0.80392  22.1664      1.10166  24.3415      1.17578  4.69906  0.117221  4.92386  0.119396  
1 1 1 31 28 21 o 3.4104   0.106896  11.672       0.729114 11.1529      1.00978  12.2375      1.05389  3.32768  0.151723  3.48583  0.151167  
1 1 1 31 28 22 o 2.70144  0.127528  7.33934      0.689021 7.76538      0.999116 6.95296      0.951473 2.7708   0.180293  2.62167  0.181463  
1 1 1 31 28 23 o 3.05597  0.129844  9.39518      0.793598 9.83555      1.08248  8.88345      1.1669   3.11926  0.173516  2.95983  0.197122  
1 1 1 31 28 24 o 2.59655  0.141332  6.79564      0.73395  5.93612      1.02431  7.70257      1.05218  2.41481  0.212088  2.75536  0.190933  
1 1 1 31 28 25 o 2.13582  0.162734  4.61905      0.695138 4.11451      0.959858 5.17554      1.00806  2.00139  0.239798  2.24842  0.224171  
1 1 1 31 28 26 o 3.8636   0.113035  15.0281      0.873444 15.2228      1.28008  14.8584      1.1948   3.87376  0.165224  3.83009  0.155975  
1 1 1 31 28 27 o 1.69901  0.224416  2.9723       0.76257  2.29005      1.08175  3.64626      1.07515  1.42902  0.374115  1.86435  0.288345  
1 1 1 31 28 28 o 2.91777  0.140224  8.62287      0.818281 8.72968      1.17339  8.52176      1.14171  2.91606  0.201195  2.88228  0.198056  
1 1 1 31 28 29 o 0.70633  0.309239  -0.0754341   0.83145  -0.374579    1.0848   0.350536     1.29449  0.752285 0.339615  0.942077 0.39838   
1 1 1 31 28 30 o 0.872109 0.337153  0.620094     0.837359 1.05196      1.21876  0.233953     1.15243  1.06525  0.40797   0.876292 0.373429  
1 1 1 31 28 31 o 1.02568  0.342463  1.14541      0.825172 1.46945      1.15985  0.813295     1.17422  1.15186  0.40492   0.992568 0.395111  
1 1 1 31 28 32 o 0.803554 0.329264  0.412443     0.844608 1.77904      1.21679  -0.858245    1.17331  1.21593  0.415861  0.700267 0.328576  
1 1 1 31 28 33 o 0.823908 0.337526  0.475279     0.887319 0.152486     1.27966  0.774203     1.23144  0.864709 0.381034  0.965298 0.396901  
1 1 1 31 28 34 o 2.49539  0.201997  6.63675      1.00812  7.32364      1.41553  5.92975      1.43609  2.55119  0.277425  2.25628  0.318243  
1 1 1 31 28 35 o 0.703385 0.310136  0.0813946    0.849526 0.93298      1.23328  -0.687521    1.17189  0.953056 0.395086  0.690245 0.324984  
1 1 1 31 28 36 f 0.574263 0.275984  -0.854148    0.922932 -0.273334    1.26761  -1.50942     1.3464   0.739695 0.345964  0.64198  0.313989  
1 1 1 31 28 37 o 0.58039  0.278642  -0.749567    0.934784 -1.09189     1.31744  -0.40248     1.32658  0.654418 0.317998  0.720399 0.341636  
1 1 1 31 28 38 o 0.661139 0.306785  0.0476492    0.972046 0.49501      1.34801  -0.436959    1.403    0.77169  0.35931   0.685805 0.331888  
1 1 1 31 28 39 o 0.873429 0.352012  1.33339      0.946754 0.351595     1.3352   2.32616      1.34265  0.722926 0.342792  1.00639  0.414224  
1 1 1 31 29 0  o 1.82145  0.19556   3.43584      0.693639 3.43584      0.693639 3.43584      0.693639 1.8382   0.135089  ?        ?         
1 1 1 31 29 1  o 16.3971  0.11786   269.165      3.86514  267.044      5.48184  271.261      5.45055  16.3228  0.16792   16.4517  0.165653  
1 1 1 31 29 2  o 10.012   0.0809114 100.293      1.62017  100.713      2.30507  99.8834      2.2777   10.0301  0.114907  9.98882  0.114012  
1 1 1 31 29 3  o 8.81054  0.0759265 77.6632      1.33791  79.2096      1.91662  76.1935      1.86847  8.89561  0.107728  8.72466  0.10708   
1 1 1 31 29 4  o 11.2421  0.103294  126.503      2.32248  124.629      3.20388  128.577      3.37149  11.1536  0.143625  11.3282  0.14881   
1 1 1 31 29 5  o 4.38251  0.0950766 19.2225      0.833348 20.4011      1.15487  17.942       1.20371  4.51335  0.12794   4.23184  0.142221  
1 1 1 31 29 6  o 3.97382  0.101887  15.8075      0.809758 15.6535      1.15115  15.9584      1.13929  3.95232  0.145629  3.99078  0.14274   
1 1 1 31 29 7  o 8.56283  0.0855331 73.3782      1.46481  73.4275      2.06678  73.3285      2.07637  8.56251  0.120688  8.55666  0.12133   
1 1 1 31 29 8  o 8.41327  0.0872715 70.8417      1.46848  72.2832      2.06794  69.3754      2.08566  8.49512  0.121713  8.3221   0.125308  
1 1 1 31 29 9  o 2.74832  0.124232  7.56652      0.682859 8.4821       0.988271 6.73003      0.944625 2.90761  0.169945  2.58931  0.182408  
1 1 1 31 29 10 o 4.28528  0.0926362 18.3829      0.793944 18.1616      1.11945  18.6069      1.12619  4.25713  0.131479  4.30906  0.130678  
1 1 1 31 29 11 o 9.27771  0.0962362 86.1824      1.7857   88.1735      2.61888  84.4522      2.4412   9.37787  0.139631  9.17895  0.132978  
1 1 1 31 29 12 o 3.20267  0.109392  10.2746      0.70069  10.3322      0.978283 10.2139      1.00407  3.20903  0.152426  3.19025  0.157365  
1 1 1 31 29 13 o 7.21102  0.0863166 52.058       1.24486  50.7515      1.74494  53.4123      1.77649  7.11574  0.122611  7.30002  0.121677  
1 1 1 31 29 14 o 1.96134  0.141027  3.85975      0.553204 3.82595      0.750807 3.8999       0.818233 1.94988  0.192527  1.96761  0.207925  
1 1 1 31 29 15 o 5.25444  0.0716624 27.6354      0.753091 26.7608      1.06299  28.5168      1.06709  5.16801  0.102843  5.33516  0.100005  
1 1 1 31 29 16 o 2.6838   0.106415  7.21921      0.571194 8.2352       0.813756 6.23247      0.801953 2.86392  0.142071  2.49003  0.161033  
1 1 1 31 29 17 o 3.30951  0.0921855 10.9729      0.610177 10.8655      0.861753 11.0809      0.864092 3.29024  0.130956  3.32279  0.130025  
1 1 1 31 29 18 o 2.47999  0.11772   6.1709       0.583888 5.54501      0.814828 6.83149      0.837106 2.34627  0.173643  2.60562  0.160635  
1 1 1 31 29 19 o 3.83363  0.0885605 14.7285      0.679017 15.4218      0.962412 14.0414      0.958151 3.91899  0.122788  3.7388   0.128136  
1 1 1 31 29 20 o 2.90658  0.111952  8.48005      0.650795 8.70219      0.905313 8.24249      0.93619  2.93953  0.15399   2.85952  0.163697  
1 1 1 31 29 21 o 0.564143 0.256043  -0.344575    0.625124 -0.429603    0.905457 -0.267135    0.864108 0.686918 0.310181  0.697422 0.30946   
1 1 1 31 29 22 f 4.88639  0.0925721 23.9503      0.904687 24.0825      1.2384   23.7991      1.32481  4.89323  0.126542  4.86212  0.136238  
1 1 1 31 29 23 o 3.97076  0.106965  15.8366      0.849465 16.9196      1.17321  14.6432      1.23156  4.09714  0.143175  3.80743  0.161731  
1 1 1 31 29 24 o 7.36434  0.095001  54.437       1.39924  55.0222      1.95028  53.8163      2.00866  7.39073  0.131941  7.30703  0.137447  
1 1 1 31 29 25 o 2.52243  0.149554  6.43441      0.75448  5.16884      1.06654  7.70215      1.06745  2.24182  0.237874  2.74933  0.19413   
1 1 1 31 29 26 o 0.993113 0.326795  1.02023      0.751393 0.682254     1.06341  1.35723      1.06185  0.961519 0.378123  1.14156  0.388485  
1 1 1 31 29 27 o 1.10617  0.323561  1.3331       0.760815 1.83105      1.06168  0.807448     1.09082  1.28143  0.384134  0.994964 0.384778  
1 1 1 31 29 28 o 0.766302 0.316333  0.264803     0.78541  0.447153     1.08811  0.0664566    1.13484  0.9067   0.372995  0.845969 0.365757  
1 1 1 31 29 29 o 2.5665   0.185687  6.75994      0.953135 6.82981      1.29281  6.67673      1.41078  2.55169  0.253324  2.50943  0.281096  
1 1 1 31 29 30 o 2.46037  0.172793  6.21171      0.850268 6.97571      1.201    5.44398      1.20392  2.58082  0.232678  2.26437  0.26584   
1 1 1 31 29 31 o 0.624155 0.288631  -0.537452    0.850953 0.732211     1.20352  -1.80674     1.20334  0.972352 0.394838  0.620576 0.302201  
1 1 1 31 29 32 o 1.0263   0.349646  1.19265      0.860151 1.95111      1.22856  0.463393     1.20467  1.25634  0.417868  0.905674 0.383714  
1 1 1 31 29 33 o 1.24     0.346598  1.8653       0.892574 -0.593116    1.23561  4.54815      1.29078  0.741553 0.344785  1.98848  0.324564  
1 1 1 31 29 34 o 1.18376  0.359922  1.79027      0.927652 2.46214      1.37719  1.23226      1.25509  1.31564  0.442424  1.02573  0.408433  
1 1 1 31 29 35 o 0.702687 0.310178  0.0963152    0.85302  0.371033     1.2011   -0.183262    1.21168  0.837112 0.368977  0.757528 0.347968  
1 1 1 31 29 36 o 1.04941  0.359932  1.55598      0.911652 2.52309      1.32049  0.675228     1.26016  1.24108  0.432456  0.85848  0.378227  
1 1 1 31 29 37 o 0.920407 0.363648  1.24916      0.987823 3.10668      1.44224  -0.392246    1.35575  1.28367  0.451504  0.710767 0.339861  
1 1 1 31 29 38 o 0.813277 0.340024  0.964575     0.925618 1.32834      1.31945  0.612092     1.29883  0.874995 0.386064  0.774287 0.357496  
1 1 1 31 29 39 o 0.597867 0.286006  -0.112434    0.962888 -1.04053     1.39074  0.742064     1.33446  0.590784 0.2943    0.724071 0.343033  
1 1 1 31 30 0  o 3.79599  0.104652  14.4498      0.793153 14.4498      0.793153 14.4498      0.793153 3.79865  0.0738845 ?        ?         
1 1 1 31 30 1  o 3.99943  0.0707204 16.0031      0.565683 15.9987      0.799751 16.0074      0.800244 3.99794  0.10002   3.99904  0.100054  
1 1 1 31 30 2  o 2.51463  0.0953151 6.32893      0.479365 6.49226      0.667725 6.15522      0.688605 2.54589  0.131138  2.47867  0.138906  
1 1 1 31 30 3  o 3.94759  0.0716216 15.5914      0.565465 16.0696      0.806012 15.128       0.793512 4.00668  0.100584  3.88747  0.10206   
1 1 1 31 30 4  o 4.18296  0.0875112 17.511       0.732112 15.2845      1.01663  19.9095      1.05517  3.90615  0.130132  4.45881  0.118324  
1 1 1 31 30 5  o 10.281   0.0946777 105.799      1.94677  107.48       2.85474  104.338      2.66168  10.3569  0.137818  10.2055  0.130404  
1 1 1 31 30 6  o 5.90846  0.082149  34.9355      0.970748 34.3899      1.36418  35.4952      1.38168  5.85999  0.116398  5.95344  0.11604   
1 1 1 31 30 7  o 7.62653  0.0803751 58.2063      1.22597  58.0647      1.73196  58.3484      1.7356   7.61447  0.113728  7.63305  0.11369   
1 1 1 31 30 8  o 3.47494  0.100127  12.0895      0.695871 12.2778      0.986611 11.9031      0.981628 3.49984  0.140951  3.44594  0.142432  
1 1 1 31 30 9  o 10.0603  0.0916669 101.317      1.84439  100.062      2.5513   102.691      2.66942  9.99278  0.127657  10.1225  0.131856  
1 1 1 31 30 10 o 4.70566  0.0873938 22.1664      0.822491 21.7025      1.13854  22.6727      1.18949  4.65383  0.122323  4.7565   0.125038  
1 1 1 31 30 11 o 3.65459  0.104026  13.3769      0.760347 13.3781      1.05565  13.3756      1.09608  3.65206  0.144528  3.6513   0.150094  
1 1 1 31 30 12 o 5.85174  0.0855999 34.2816      1.00182  35.4467      1.4404   33.1898      1.39429  5.94692  0.121104  5.75447  0.121149  
1 1 1 31 30 13 o 2.64664  0.12907   7.02443      0.683203 6.44538      0.976701 7.57922      0.956021 2.53077  0.192965  2.74597  0.174077  
1 1 1 31 30 14 o 5.28856  0.0777043 28           0.821888 27.123       1.06408  29.2971      1.29402  5.20295  0.102257  5.40552  0.119694  
1 1 1 31 30 15 o 5.56206  0.0720506 30.9686      0.801499 31.5352      1.14084  30.4164      1.12628  5.60985  0.101682  5.50937  0.102215  
1 1 1 31 30 16 o 4.78505  0.0741438 22.9235      0.709564 22.6808      1.00299  23.1666      1.00396  4.75687  0.105426  4.80765  0.104412  
1 1 1 31 30 17 o 1.1916   0.22546   1.48281      0.517766 2.17814      0.737641 0.807509     0.726941 1.44189  0.265759  0.929707 0.321161  
1 1 1 31 30 18 o 2.49174  0.118092  6.2319       0.588508 6.20903      0.823356 6.25578      0.841493 2.48275  0.165815  2.49175  0.168856  
1 1 1 31 30 19 o 1.82537  0.159788  3.35691      0.583345 3.20749      0.807716 3.51983      0.843387 1.77764  0.227188  1.86227  0.226441  
1 1 1 31 30 20 o 5.67956  0.0833051 32.329       0.946273 31.2764      1.3237   33.4292      1.35325  5.57982  0.118615  5.76895  0.117287  
1 1 1 31 30 21 o 6.10947  0.0856689 37.4246      1.04678  36.1929      1.43536  38.8239      1.52991  6.00049  0.119603  6.2138   0.123106  
1 1 1 31 30 22 o 4.3632   0.102093  19.1103      0.890901 18.4836      1.20982  19.8528      1.31681  4.28349  0.141219  4.43761  0.14837   
1 1 1 31 30 23 o 3.62734  0.117138  13.2298      0.849801 12.9069      1.19026  13.5655      1.21369  3.57271  0.166576  3.66295  0.165671  
1 1 1 31 30 24 o 2.53486  0.143191  6.49046      0.725938 5.33465      1.03609  7.60501      1.01743  2.2811   0.227103  2.73467  0.186024  
1 1 1 31 30 25 o 1.64525  0.222456  2.77837      0.731988 1.51204      1.0514   3.96949      1.0197   1.18961  0.386568  1.9571   0.260514  
1 1 1 31 30 26 o 1.3844   0.285275  2.07424      0.762864 1.66256      1.08162  2.48172      1.0761   1.23237  0.39128   1.49024  0.363737  
1 1 1 31 30 27 o 1.70842  0.220587  3.01157      0.753711 3.52194      1.07705  2.52179      1.05511  1.8252   0.295049  1.4992   0.356601  
1 1 1 31 30 28 o 1.56973  0.256994  2.58588      0.806819 2.03779      1.10747  3.2058       1.1778   1.33401  0.390431  1.6839   0.360206  
1 1 1 31 30 29 f 0.592534 0.278157  -0.776256    0.844475 -1.66709     1.22782  0.0234429    1.16332  0.649259 0.313556  0.842589 0.367364  
1 1 1 31 30 30 o 0.681154 0.302922  -0.181686    0.833663 0.662733     1.18231  -1.01665     1.17567  0.962931 0.391233  0.693263 0.326143  
1 1 1 31 30 31 o 1.0673   0.341087  1.30423      0.820934 0.59946      1.14466  2.05069      1.17802  0.924559 0.381787  1.29506  0.408015  
1 1 1 31 30 32 o 1.11735  0.346624  1.47535      0.854582 1.881        1.23758  1.10563      1.1815   1.23081  0.419399  1.03132  0.400117  
1 1 1 31 30 33 f 0.674105 0.305162  -0.205186    0.881864 0.116054     1.26049  -0.513169    1.23421  0.838723 0.372757  0.744751 0.345624  
1 1 1 31 30 34 o 0.670296 0.304511  -0.180721    0.888827 -0.46773     1.30593  0.0669677    1.21318  0.754986 0.352353  0.802271 0.360828  
1 1 1 31 30 35 o 0.889204 0.35133   0.918715     0.922058 2.50355      1.25714  -0.926527    1.35649  1.28939  0.422701  0.699483 0.33578   
1 1 1 31 30 36 o 1.08382  0.362994  1.69417      0.927077 1.46668      1.30195  1.92815      1.32041  0.994764 0.408408  1.08934  0.422912  
1 1 1 31 30 37 f 0.663613 0.306142  0.0523649    0.949912 -0.381671    1.30722  0.537975     1.38271  0.684113 0.328698  0.791834 0.366841  
1 1 1 31 30 38 o 0.703493 0.314897  0.423033     0.914039 2.30451      1.30027  -1.41499     1.28516  1.05324  0.41687   0.584543 0.290034  
1 1 1 31 31 0  o 7.59354  0.145202  57.7898      2.20337  57.7898      2.20337  57.7898      2.20337  7.59777  0.102573  ?        ?         
1 1 1 31 31 1  o 1.38591  0.275088  2.13935      0.676883 2.13935      0.676883 2.13935      0.676883 1.43107  0.172939  ?        ?         
1 1 1 31 31 2  o 4.78035  0.100309  22.8943      0.958074 22.8943      0.958074 22.8943      0.958074 4.78258  0.0708609 ?        ?         
1 1 1 31 31 3  o 7.84592  0.102449  61.6251      1.607    61.6251      1.607    61.6251      1.607    7.84805  0.0724089 ?        ?         
1 1 1 31 31 4  o 4.32505  0.123409  18.7675      1.06553  18.7675      1.06553  18.7675      1.06553  4.32861  0.0871104 ?        ?         
1 1 1 31 31 5  o 3.4049   0.142896  11.6678      0.969193 11.6678      0.969193 11.6678      0.969193 3.41039  0.100674  ?        ?         
1 1 1 31 31 6  o 5.61038  0.11694   31.5428      1.31087  31.5428      1.31087  31.5428      1.31087  5.61334  0.0826051 ?        ?         
1 1 1 31 31 7  o 1.93594  0.246952  3.94091      0.921233 3.94091      0.921233 3.94091      0.921233 1.96198  0.168887  ?        ?         
1 1 1 31 31 8  o 0.679891 0.397692  0.574738     0.88668  0.574738     0.88668  0.574738     0.88668  0.635039 0.348648  ?        ?         
1 1 1 31 31 9  o 1.70166  0.297767  3.16363      0.920538 3.16363      0.920538 3.16363      0.920538 1.74566  0.191716  ?        ?         
1 1 1 31 31 10 o 0.630066 0.385198  0.379768     0.903238 0.379768     0.903238 0.379768     0.903238 0.566229 0.33469   ?        ?         
1 1 1 31 31 11 o 8.21756  0.129166  67.6669      2.12168  67.6669      2.12168  67.6669      2.12168  8.22175  0.0912623 ?        ?         
1 1 1 31 31 12 o 1.28309  0.39086   2.0608       0.874013 2.0608       0.874013 2.0608       0.874013 1.36929  0.250851  ?        ?         
1 1 1 31 31 13 o 3.59264  0.14319   12.9928      1.02515  12.9928      1.02515  12.9928      1.02515  3.59863  0.100897  ?        ?         
1 1 1 31 31 14 o 2.11901  0.217681  4.651        0.900231 4.651        0.900231 4.651        0.900231 2.13852  0.150545  ?        ?         
1 1 1 31 31 15 o 1.11933  0.352694  1.58716      0.691601 1.58716      0.691601 1.58716      0.691601 1.1973   0.228717  ?        ?         
1 1 1 31 31 16 o 6.98447  0.106154  48.8803      1.48208  48.8803      1.48208  48.8803      1.48208  6.98797  0.0750049 ?        ?         
1 1 1 31 31 17 o 1.28618  0.331441  1.96716      0.735559 1.96716      0.735559 1.96716      0.735559 1.35482  0.20632   ?        ?         
1 1 1 31 31 18 o 3.2008   0.13927   10.3315      0.887711 10.3315      0.887711 10.3315      0.887711 3.2076   0.0980543 ?        ?         
1 1 1 31 31 19 o 3.45468  0.138809  12.0282      0.955563 12.0282      0.955563 12.0282      0.955563 3.46145  0.0977781 ?        ?         
1 1 1 31 31 20 o 1.66545  0.285658  3.03955      0.867451 3.03955      0.867451 3.03955      0.867451 1.70949  0.184299  ?        ?         
1 1 1 31 31 21 o 0.861927 0.437447  1.13543      0.932317 1.13543      0.932317 1.13543      0.932317 0.889029 0.37199   ?        ?         
1 1 1 31 31 22 o 0.977591 0.466883  1.4616       1.03863  1.4616       1.03863  1.4616       1.03863  1.0341   0.383734  ?        ?         
1 1 1 31 31 23 o 4.44246  0.143166  19.8851      1.26902  19.8851      1.26902  19.8851      1.26902  4.45087  0.100921  ?        ?         
1 1 1 31 31 24 o 7.18592  0.126583  51.895       1.81796  51.895       1.81796  51.895       1.81796  7.19488  0.0893649 ?        ?         
1 1 1 31 31 25 o 3.45853  0.186775  12.184       1.28332  12.184       1.28332  12.184       1.28332  3.47466  0.131003  ?        ?         
1 1 1 31 31 26 o 2.27519  0.236923  5.42857      1.05132  5.42857      1.05132  5.42857      1.05132  2.30343  0.163251  ?        ?         
1 1 1 31 31 27 o 2.55991  0.224266  6.81548      1.12793  6.81548      1.12793  6.81548      1.12793  2.58592  0.155501  ?        ?         
1 1 1 31 31 28 o 2.98556  0.21846   9.21391      1.2884   9.21391      1.2884   9.21391      1.2884   3.0109   0.152176  ?        ?         
1 1 1 31 31 29 o 0.950156 0.494696  1.48318      1.21038  1.48318      1.21038  1.48318      1.21038  0.992915 0.424826  ?        ?         
1 1 1 31 31 30 o 0.837897 0.471674  1.13004      1.18621  1.13004      1.18621  1.13004      1.18621  0.838985 0.416914  ?        ?         
1 1 1 31 31 31 o 3.92251  0.178527  15.7779      1.39394  15.7779      1.39394  15.7779      1.39394  3.94759  0.125129  ?        ?         
1 1 1 31 31 32 o 0.81535  0.461526  1.11536      1.14306  1.11536      1.14306  1.11536      1.14306  0.823274 0.409235  ?        ?         
1 1 1 31 31 33 o 1.77258  0.444776  4.07424      1.36224  4.07424      1.36224  4.07424      1.36224  1.91632  0.262221  ?        ?         
1 1 1 31 31 34 o 0.553136 0.379401  -0.318986    1.27698  -0.318986    1.27698  -0.318986    1.27698  0.463433 0.318188  ?        ?         
1 1 1 31 31 35 o 1.68735  0.461338  3.99095      1.34386  3.99095      1.34386  3.99095      1.34386  1.86807  0.271134  ?        ?         
1 1 1 31 31 36 o 0.631523 0.413857  0.474696     1.25463  0.474696     1.25463  0.474696     1.25463  0.584765 0.368357  ?        ?         
1 1 1 31 31 37 o 0.505763 0.356812  -0.450779    1.33356  -0.450779    1.33356  -0.450779    1.33356  0.430674 0.302733  ?        ?         
1 1 1 31 31 38 o 0.667109 0.434317  1.04283      1.35531  1.04283      1.35531  1.04283      1.35531  0.677642 0.405681  ?        ?         
1 1 1 32 0  0  f 9.48208  0.143149  89.9874      2.7133   89.9874      2.7133   89.9874      2.7133   9.48412  0.101174  ?        ?         
1 1 1 32 0  1  o 1.90898  0.128846  3.69429      0.486786 3.69429      0.486786 3.69429      0.486786 1.91563  0.0902999 ?        ?         
1 1 1 32 0  2  o 5.16669  0.0782122 26.7144      0.807779 26.7144      0.807779 26.7144      0.807779 5.16764  0.0552799 ?        ?         
1 1 1 32 0  3  o 11.6036  0.117315  134.701      2.72195  134.701      2.72195  134.701      2.72195  11.6049  0.0829363 ?        ?         
1 1 1 32 0  4  o 3.36589  0.0851826 11.3516      0.5726   11.3516      0.5726   11.3516      0.5726   3.36755  0.0601596 ?        ?         
1 1 1 32 0  5  o 24.9141  0.250796  621.203      12.4939  621.203      12.4939  621.203      12.4939  24.919   0.177285  ?        ?         
1 1 1 32 0  6  o 13.442   0.131965  180.763      3.54699  180.763      3.54699  180.763      3.54699  13.4434  0.0932937 ?        ?         
1 1 1 32 0  7  o 17.0998  0.171217  292.553      5.85423  292.553      5.85423  292.553      5.85423  17.102   0.12104   ?        ?         
1 1 1 32 0  8  o 4.33595  0.085253  18.8232      0.73866  18.8232      0.73866  18.8232      0.73866  4.33726  0.0602383 ?        ?         
1 1 1 32 0  9  o 1.24434  0.257052  1.73313      0.564551 1.73313      0.564551 1.73313      0.564551 1.2871   0.160722  ?        ?         
1 1 1 32 0  10 o 10.0222  0.140134  100.517      2.80766  100.517      2.80766  100.517      2.80766  10.024   0.09905   ?        ?         
1 1 1 32 0  11 o 12.8227  0.129144  164.494      3.3112   164.494      3.3112   164.494      3.3112   12.8241  0.0912984 ?        ?         
1 1 1 32 0  12 o 23.72    0.230648  563.074      10.9396  563.074      10.9396  563.074      10.9396  23.7246  0.163044  ?        ?         
1 1 1 32 0  13 o 28.9043  0.292532  836.443      16.907   836.443      16.907   836.443      16.907   28.9128  0.206767  ?        ?         
1 1 1 32 0  14 o 5.58784  0.103536  31.2597      1.15619  31.2597      1.15619  31.2597      1.15619  5.58944  0.0731614 ?        ?         
1 1 1 32 0  15 o 4.98545  0.115247  24.8983      1.14773  24.8983      1.14773  24.8983      1.14773  4.98764  0.081407  ?        ?         
1 1 1 32 0  16 o 2.47375  0.22808   6.27795      1.10637  6.27795      1.10637  6.27795      1.10637  2.49016  0.158557  ?        ?         
1 1 1 32 0  17 o 5.22751  0.116271  27.3725      1.21426  27.3725      1.21426  27.3725      1.21426  5.22969  0.0821354 ?        ?         
1 1 1 32 0  18 o 3.43705  0.168791  11.9039      1.1539   11.9039      1.1539   11.9039      1.1539   3.44368  0.118789  ?        ?         
1 1 1 32 0  19 o 10.9655  0.13328   120.338      2.92199  120.338      2.92199  120.338      2.92199  10.9677  0.0942085 ?        ?         
1 1 1 32 0  20 o 9.4327   0.136604  89.0722      2.57588  89.0722      2.57588  89.0722      2.57588  9.43525  0.0965448 ?        ?         
1 1 1 32 0  21 o 2.07028  0.267172  4.50462      1.06495  4.50462      1.06495  4.50462      1.06495  2.09791  0.182657  ?        ?         
1 1 1 32 0  22 o 4.84451  0.133966  23.5375      1.29576  23.5375      1.29576  23.5375      1.29576  4.84803  0.0945771 ?        ?         
1 1 1 32 0  23 o 3.7539   0.154048  14.1771      1.15213  14.1771      1.15213  14.1771      1.15213  3.7596   0.108552  ?        ?         
1 1 1 32 0  24 o 1.09056  0.476844  1.72184      1.07458  1.72184      1.07458  1.72184      1.07458  1.16547  0.371314  ?        ?         
1 1 1 32 0  25 o 2.40471  0.237535  5.96991      1.11682  5.96991      1.11682  5.96991      1.11682  2.42469  0.164589  ?        ?         
1 1 1 32 0  26 o 0.692426 0.426315  0.431731     1.12197  0.431731     1.12197  0.431731     1.12197  0.618696 0.369686  ?        ?         
1 1 1 32 0  27 o 3.02077  0.211034  9.29344      1.26068  9.29344      1.26068  9.29344      1.26068  3.03486  0.147663  ?        ?         
1 1 1 32 0  28 o 2.74841  0.241278  7.77066      1.30275  7.77066      1.30275  7.77066      1.30275  2.76854  0.167778  ?        ?         
1 1 1 32 0  29 o 0.847492 0.465764  1.04879      1.11986  1.04879      1.11986  1.04879      1.11986  0.834874 0.406678  ?        ?         
1 1 1 32 0  30 o 3.86079  0.184193  15.0797      1.41488  15.0797      1.41488  15.0797      1.41488  3.87214  0.129517  ?        ?         
1 1 1 32 0  31 o 3.52448  0.18932   12.6031      1.32571  12.6031      1.32571  12.6031      1.32571  3.53734  0.132929  ?        ?         
1 1 1 32 0  32 o 4.14181  0.197195  17.3908      1.62505  17.3908      1.62505  17.3908      1.62505  4.15605  0.138591  ?        ?         
1 1 1 32 0  33 f 1.81964  0.402154  3.84018      1.27824  3.84018      1.27824  3.84018      1.27824  1.90221  0.246893  ?        ?         
1 1 1 32 0  34 f 2.83257  0.230826  8.28838      1.28768  8.28838      1.28768  8.28838      1.28768  2.85624  0.160553  ?        ?         
1 1 1 32 0  35 o 4.72618  0.166591  22.6035      1.57024  22.6035      1.57024  22.6035      1.57024  4.74028  0.117278  ?        ?         
1 1 1 32 0  36 o 2.6404   0.266375  7.34662      1.37385  7.34662      1.37385  7.34662      1.37385  2.67657  0.183453  ?        ?         
1 1 1 32 0  37 o 0.92744  0.511376  1.38121      1.35548  1.38121      1.35548  1.38121      1.35548  0.936561 0.44837   ?        ?         
1 1 1 32 0  38 o 1.26655  0.555982  2.54534      1.46085  2.54534      1.46085  2.54534      1.46085  1.39843  0.42408   ?        ?         
1 1 1 32 0  39 o 1.24594  0.563221  2.58821      1.49914  2.58821      1.49914  2.58821      1.49914  1.38928  0.435919  ?        ?         
1 1 1 32 0  40 o 0.560076 0.388672  -0.632034    1.41031  -0.632034    1.41031  -0.632034    1.41031  0.458327 0.319039  ?        ?         
1 1 1 32 0  41 f 0.711614 0.453674  0.627106     1.38407  0.627106     1.38407  0.627106     1.38407  0.659236 0.402045  ?        ?         
1 1 1 32 0  42 o 0.65239  0.436743  0.215177     1.52565  0.215177     1.52565  0.215177     1.52565  0.5804   0.381711  ?        ?         
1 1 1 32 0  43 o 1.15637  0.596571  3.04168      1.75036  3.04168      1.75036  3.04168      1.75036  1.37729  0.493078  ?        ?         
1 1 1 32 0  44 o 0.64669  0.445434  0.480734     1.7975   0.480734     1.7975   0.480734     1.7975   0.604611 0.403207  ?        ?         
1 1 1 32 0  45 o 0.905276 0.545121  2.78241      1.74871  2.78241      1.74871  2.78241      1.74871  1.11282  0.511092  ?        ?         
1 1 1 32 1  0  o 3.50044  0.0916694 12.2791      0.640771 12.2791      0.640771 12.2791      0.640771 3.5023   0.064735  ?        ?         
1 1 1 32 1  1  o 7.41523  0.0632656 54.9892      0.938257 55.2645      1.37745  54.7509      1.28153  7.43348  0.0926515 7.39892  0.0866026 
1 1 1 32 1  2  o 14.3402  0.10218   205.678      2.93058  208.199      4.28796  203.468      4.01448  14.4265  0.148614  14.2619  0.140742  
1 1 1 32 1  3  o 14.175   0.0981823 200.962      2.78347  199.788      3.95504  202.114      3.91808  14.1324  0.139928  14.2145  0.13782   
1 1 1 32 1  4  o 12.1498  0.0916327 147.638      2.22665  147.738      3.0422   147.522      3.26779  12.1533  0.12516   12.1441  0.134542  
1 1 1 32 1  5  o 16.0938  0.115434  259.06       3.71555  256.589      5.15613  261.729      5.35889  16.0153  0.160975  16.1747  0.165656  
1 1 1 32 1  6  o 9.01519  0.0693487 81.2794      1.25038  80.1635      1.75199  82.4378      1.78509  8.95277  0.0978464 9.07887  0.0983102 
1 1 1 32 1  7  o 10.9225  0.0838922 119.314      1.83263  119.729      2.5978   118.902      2.58569  10.9409  0.11872   10.9031  0.118576  
1 1 1 32 1  8  o 16.0808  0.114958  258.643      3.69725  262.982      5.19341  254.183      5.26471  16.2136  0.160156  15.9398  0.165143  
1 1 1 32 1  9  o 24.3226  0.166376  591.835      8.0934   588.527      11.1459  595.524      11.7713  24.2498  0.229814  24.3925  0.241289  
1 1 1 32 1  10 o 7.35508  0.0653848 54.1009      0.961822 52.6969      1.35313  55.5346      1.36742  7.25876  0.0932068 7.45165  0.0917531 
1 1 1 32 1  11 o 10.1349  0.0792586 102.727      1.60656  102.649      2.29758  102.802      2.24728  10.1304  0.1134    10.138   0.110834  
1 1 1 32 1  12 o 7.57006  0.0847548 57.3137      1.2832   64.2492      1.94748  51.9924      1.70586  8.01441  0.121499  7.2096   0.118305  
1 1 1 32 1  13 o 17.5402  0.127803  307.762      4.48336  309.746      6.44985  305.907      6.23639  17.5935  0.183302  17.4844  0.178341  
1 1 1 32 1  14 o 13.7665  0.104589  189.562      2.87966  186.773      4.07731  192.338      4.06763  13.6632  0.149208  13.8654  0.146683  
1 1 1 32 1  15 o 11.0487  0.0908302 122.098      2.00712  123.461      2.89408  120.834      2.786    11.1091  0.130257  10.9904  0.126747  
1 1 1 32 1  16 o 22.7297  0.167308  517.014      7.60573  523.074      10.7442  510.926      10.7681  22.8543  0.23506   22.5869  0.238369  
1 1 1 32 1  17 o 9.89384  0.0855371 97.909       1.69258  97.3515      2.41401  98.448       2.37383  9.86452  0.122358  9.92001  0.119649  
1 1 1 32 1  18 o 15.2736  0.124624  233.405      3.8069   232.916      5.43888  233.875      5.33031  15.2534  0.178285  15.2851  0.174363  
1 1 1 32 1  19 f 9.92856  0.0924047 98.6122      1.83489  97.9582      2.58466  99.2768      2.60532  9.89373  0.130621  9.96009  0.130788  
1 1 1 32 1  20 o 9.2883   0.091826  86.3095      1.70581  87.1252      2.37542  85.441       2.45113  9.33024  0.127297  9.23929  0.132647  
1 1 1 32 1  21 o 8.29003  0.085253  68.7546      1.4135   66.8962      1.9669   70.7395      2.03271  8.17544  0.120293  8.40697  0.120894  
1 1 1 32 1  22 o 1.07179  0.316874  1.17311      0.72593  1.57557      1.04264  0.794472     1.01132  1.24726  0.38205   1.01081  0.375451  
1 1 1 32 1  23 o 3.2868   0.118733  10.817       0.780502 10.703       1.10807  10.9291      1.09957  3.26726  0.169572  3.30174  0.166514  
1 1 1 32 1  24 o 9.318    0.089597  86.9021      1.66973  89.3943      2.43135  84.6775      2.29707  9.44622  0.128694  9.19412  0.124921  
1 1 1 32 1  25 o 0.812649 0.320235  0.384265     0.76419  0.703072     1.10333  0.0903119    1.05946  1.00858  0.387619  0.856928 0.361291  
1 1 1 32 1  26 o 4.0851   0.116044  16.7225      0.948108 17.9381      1.41815  15.7401      1.27491  4.22612  0.167784  3.95943  0.160997  
1 1 1 32 1  27 o 3.29382  0.135354  10.8858      0.891662 11.8768      1.24743  9.85048      1.27503  3.43585  0.181531  3.12658  0.203901  
1 1 1 32 1  28 o 2.05891  0.2069    4.27721      0.85198  5.40687      1.22141  3.20671      1.18901  2.30849  0.264547  1.73835  0.354275  
1 1 1 32 1  29 o 5.66701  0.0973732 32.1915      1.10363  31.5581      1.51901  32.8996      1.60617  5.6048   0.13551   5.72173  0.140357  
1 1 1 32 1  30 o 1.80609  0.245297  3.32015      0.886057 3.35292      1.24015  3.28598      1.26641  1.76723  0.363335  1.74593  0.373535  
1 1 1 32 1  31 o 0.861778 0.334896  0.513054     0.828424 -0.179162    1.19402  1.15555      1.15034  0.844833 0.370223  1.1187   0.402242  
1 1 1 32 1  32 o 2.82693  0.178538  8.0867       1.00943  7.82795      1.43551  8.33978      1.41972  2.76304  0.25977   2.8549   0.248647  
1 1 1 32 1  33 o 0.627167 0.289982  -0.650814    0.858536 0.243319     1.21427  -1.54461     1.21404  0.92158  0.387584  0.669379 0.320439  
1 1 1 32 1  34 o 1.30897  0.332285  1.88092      0.871764 2.31772      1.23432  1.44617      1.23141  1.4372   0.409493  1.19104  0.417366  
1 1 1 32 1  35 o 3.93404  0.131016  15.6376      1.03085  15.9886      1.47221  15.3         1.44388  3.95707  0.186022  3.87071  0.186513  
1 1 1 32 1  36 o 1.52731  0.314902  2.57533      0.929041 2.8962       1.30814  2.24878      1.31966  1.57967  0.410408  1.39404  0.430392  
1 1 1 32 1  37 o 1.27751  0.360985  1.85384      0.963079 3.52656      1.37657  0.250089     1.34789  1.74286  0.402704  0.936825 0.401683  
1 1 1 32 1  38 o 1.10771  0.374339  1.3648       0.985935 1.49202      1.4017   1.24022      1.38706  1.17958  0.441241  1.12111  0.433824  
1 1 1 32 1  39 o 0.779699 0.342809  0.031313     1.03068  0.0317811    1.45389  0.0308401    1.46136  0.896955 0.399432  0.898636 0.400311  
1 1 1 32 1  40 o 1.75424  0.288805  3.45016      1.01327  2.76241      1.43187  4.14004      1.43408  1.43047  0.449668  1.80664  0.406705  
1 1 1 32 1  41 o 0.560663 0.273532  -1.41066     1.00271  -0.62959     1.40196  -2.22863     1.43471  0.761962 0.35782   0.635753 0.313269  
1 1 1 32 1  42 f 0.966117 0.38255   1.20127      1.09541  0.845186     1.53243  1.57333      1.56643  0.935614 0.414013  1.05027  0.44089   
1 1 1 32 1  43 o 1.50217  0.401453  3.41774      1.22959  2.40256      1.72365  4.46967      1.75457  1.12603  0.46695   1.53715  0.499375  
1 1 1 32 1  44 o 1.37433  0.424909  3.54383      1.28564  3.46904      1.76623  3.62812      1.87497  1.14701  0.473985  1.1408   0.480787  
1 1 1 32 1  45 o 0.754218 0.348067  0.979294     1.22934  1.64204      1.72069  0.288296     1.75698  0.804011 0.384071  0.705798 0.347597  
1 1 1 32 2  0  o 12.5709  0.125588  158.095      3.15682  158.095      3.15682  158.095      3.15682  12.5723  0.088785  ?        ?         
1 1 1 32 2  1  o 19.5353  0.138383  381.743      5.40672  383.218      7.58295  380.219      7.71117  19.5701  0.193738  19.4932  0.197792  
1 1 1 32 2  2  o 12.1277  0.0892779 147.098      2.16547  147.332      3.10445  146.877      3.02207  12.1365  0.127898  12.1178  0.124695  
1 1 1 32 2  3  o 9.67178  0.0752923 93.5513      1.45642  94.8647      2.08344  92.2962      2.03673  9.739    0.106964  9.60626  0.106011  
1 1 1 32 2  4  o 10.7963  0.0805187 116.571      1.73861  117.494      2.42286  115.591      2.4963   10.8384  0.111772  10.7503  0.116104  
1 1 1 32 2  5  o 14.2387  0.107498  202.775      3.06127  207.015      4.40643  198.819      4.25605  14.3855  0.153155  14.0979  0.150946  
1 1 1 32 2  6  o 6.88401  0.0624996 47.3923      0.860495 49.098       1.21186  45.6578      1.22205  7.0066   0.0864801 6.75664  0.0904331 
1 1 1 32 2  7  o 13.1992  0.0981386 174.245      2.59071  176.827      3.62956  171.562      3.69906  13.2958  0.136493  13.0962  0.141227  
1 1 1 32 2  8  o 6.65858  0.060478  44.3391      0.805396 45.2187      1.16583  43.5361      1.11395  6.7241   0.0866902 6.59783  0.0844177 
1 1 1 32 2  9  o 4.22368  0.0600205 17.8404      0.507015 17.7162      0.715604 17.9657      0.718458 4.20882  0.0850125 4.23836  0.0847565 
1 1 1 32 2  10 f 18.8584  0.132608  355.742      5.00156  352.155      6.93384  359.633      7.22148  18.7604  0.1848    18.9582  0.190458  
1 1 1 32 2  11 o 4.93389  0.0665656 24.3452      0.656854 24.0242      0.925254 24.6713      0.932654 4.90105  0.0943935 4.96662  0.0938923 
1 1 1 32 2  12 o 7.43948  0.0694205 55.3513      1.03291  57.6823      1.51092  53.3061      1.41526  7.59412  0.0994799 7.30041  0.0969302 
1 1 1 32 2  13 o 11.4296  0.0885595 130.658      2.0244   129.785      2.89109  131.497      2.83558  11.3904  0.126909  11.4653  0.123659  
1 1 1 32 2  14 o 9.66743  0.082322  93.4731      1.59168  93.2482      2.28235  93.686       2.22087  9.65502  0.118195  9.67775  0.114741  
1 1 1 32 2  15 f 18.1266  0.139428  328.726      5.05471  328.967      7.05847  328.473      7.24195  18.1291  0.194673  18.115   0.199888  
1 1 1 32 2  16 o 10.1353  0.0864142 102.746      1.75167  102.661      2.47253  102.831      2.48197  10.1301  0.122039  10.1385  0.122404  
1 1 1 32 2  17 o 4.74623  0.0904715 22.5323      0.858798 23.0659      1.22278  22.0129      1.20643  4.80151  0.127333  4.69061  0.1286    
1 1 1 32 2  18 o 6.4499   0.0889815 41.6131      1.14784  42.4842      1.61391  40.7215      1.63285  6.51617  0.123839  6.37945  0.127977  
1 1 1 32 2  19 o 15.3351  0.119695  235.316      3.67106  231.452      4.98597  239.892      5.42511  15.2042  0.163967  15.4776  0.175257  
1 1 1 32 2  20 o 14.0276  0.112359  196.906      3.15224  199.941      4.51295  194.014      4.4049   14.1305  0.159689  13.9196  0.158226  
1 1 1 32 2  21 o 10.1282  0.0901068 102.633      1.82524  103.755      2.59101  101.526      2.57166  10.1808  0.127249  10.0708  0.127678  
1 1 1 32 2  22 o 1.01533  0.321322  1.02355      0.729862 1.1789       1.06253  0.884771     1.00429  1.13054  0.388498  1.03351  0.375421  
1 1 1 32 2  23 o 1.10477  0.313614  1.26395      0.725278 1.69774      1.04266  0.857289     1.00954  1.28449  0.379762  1.02576  0.376027  
1 1 1 32 2  24 o 4.81177  0.0969568 23.1779      0.933068 23.9792      1.37357  22.4912      1.27145  4.89136  0.140408  4.73763  0.134187  
1 1 1 32 2  25 o 7.82996  0.0899345 61.3765      1.40837  59.0223      1.98645  63.756       1.99705  7.67375  0.129432  7.97613  0.125189  
1 1 1 32 2  26 f 4.06581  0.111976  16.5639      0.910551 16.7996      1.27127  16.3155      1.30482  4.0908   0.155381  4.03076  0.161857  
1 1 1 32 2  27 o 1.66687  0.249902  2.81145      0.833108 4.15435      1.15898  1.37568      1.19839  2.02249  0.286524  1.2012   0.412606  
1 1 1 32 2  28 o 3.71235  0.125298  13.8282      0.930297 15.5257      1.3411   12.2537      1.29157  3.92804  0.170709  3.48776  0.185158  
1 1 1 32 2  29 o 2.15715  0.189898  4.69715      0.819276 4.85219      1.14902  4.53681      1.16849  2.18322  0.263147  2.10907  0.277016  
1 1 1 32 2  30 o 4.73694  0.116597  22.5312      1.10462  22.8412      1.56999  22.2273      1.55447  4.75964  0.164927  4.6951   0.165542  
1 1 1 32 2  31 o 1.04881  0.342285  1.11734      0.824317 0.0256761    1.19736  2.10091      1.13654  0.880443 0.378085  1.39025  0.391925  
1 1 1 32 2  32 o 0.958423 0.357369  0.76905      0.918015 0.776188     1.36575  0.763167     1.2399   1.07486  0.426666  1.04     0.408515  
1 1 1 32 2  33 o 1.72085  0.255168  3.05043      0.878213 2.12731      1.23969  3.98041      1.24429  1.3896   0.414793  1.94979  0.319082  
1 1 1 32 2  34 o 4.63587  0.116946  21.6524      1.0843   22.4797      1.57648  20.9096      1.49372  4.70509  0.167529  4.53903  0.164542  
1 1 1 32 2  35 o 0.7469   0.324085  -0.02882     0.897037 0.709007     1.29036  -0.718891    1.24791  1.02081  0.411144  0.769052 0.353208  
1 1 1 32 2  36 o 1.52089  0.316058  2.56139      0.929399 1.85544      1.30276  3.29308      1.3263   1.28394  0.430302  1.68868  0.398625  
1 1 1 32 2  37 o 1.8457   0.270044  3.60697      0.996841 4.06627      1.38513  3.11349      1.43573  1.88435  0.380859  1.61538  0.43475   
1 1 1 32 2  38 o 0.942469 0.363808  0.799471     0.974231 0.0616277    1.37593  1.54127      1.37962  0.898598 0.39558   1.18385  0.438758  
1 1 1 32 2  39 o 0.743974 0.332132  -0.131202    1.01083  -0.825647    1.46847  0.494178     1.39354  0.792755 0.371182  0.95289  0.408495  
1 1 1 32 2  40 o 0.823846 0.34918   0.387319     0.998218 0.867754     1.42701  -0.0730225   1.39686  1.00028  0.420401  0.848416 0.384068  
1 1 1 32 2  41 o 0.999756 0.37957   1.20981      1.04746  1.09326      1.4631   1.33236      1.50026  1.01053  0.42524   1.05612  0.436658  
1 1 1 32 2  42 o 1.21802  0.397286  2.18288      1.11051  0.580758     1.54634  3.88917      1.59583  0.893499 0.404307  1.52985  0.473483  
1 1 1 32 2  43 o 0.71969  0.336675  -0.140664    1.2012   -0.763687    1.70895  0.467699     1.68872  0.75434  0.365269  0.861373 0.401491  
1 1 1 32 2  44 o 0.66281  0.318559  -0.307884    1.23014  0.431325     1.69966  -1.12106     1.78267  0.783821 0.376167  0.686327 0.34068   
1 1 1 32 3  0  o 18.6718  0.17742   348.814      6.62417  348.814      6.62417  348.814      6.62417  18.6742  0.125426  ?        ?         
1 1 1 32 3  1  o 17.6028  0.121202  309.928      4.26698  311.459      6.19375  308.545      5.8868   17.6441  0.175519  17.5617  0.167603  
1 1 1 32 3  2  o 33.3475  0.23617   1112.97      15.7514  1131.7       22.6299  1095.36      21.9379  33.6124  0.336631  33.0692  0.331696  
1 1 1 32 3  3  o 11.8868  0.0891135 141.313      2.11855  142.106      2.94259  140.459      3.0526   11.9195  0.123436  11.8501  0.128801  
1 1 1 32 3  4  o 29.7929  0.202025  888.15       12.0378  892.6        16.7443  883.389      17.3183  29.8589  0.280391  29.703   0.291524  
1 1 1 32 3  5  o 23.6108  0.170387  557.709      8.04596  554.107      10.921   561.986      11.8992  23.5299  0.232067  23.695   0.251091  
1 1 1 32 3  6  o 3.02061  0.065567  9.12465      0.396104 9.0878       0.561824 9.16107      0.558542 3.0144   0.0931901 3.02653  0.0922743 
1 1 1 32 3  7  f 15.0906  0.106905  227.766      3.22653  222.787      4.42477  233.419      4.71506  14.9235  0.148248  15.2753  0.154336  
1 1 1 32 3  8  o 6.80179  0.0608659 46.267       0.827994 46.0564      1.14421  46.4984      1.19967  6.78612  0.0843055 6.81857  0.0879711 
1 1 1 32 3  9  o 11.2048  0.0824341 125.561      1.84731  124.939      2.57763  126.217      2.64881  11.1764  0.115316  11.2334  0.117899  
1 1 1 32 3  10 o 9.76408  0.0768858 95.347       1.50144  96.5183      2.1212   94.171       2.12551  9.82337  0.107967  9.70315  0.109527  
1 1 1 32 3  11 f 2.96676  0.0863902 8.80294      0.512598 9.42831      0.741802 8.23142      0.709147 3.07012  0.12081   2.86862  0.123604  
1 1 1 32 3  12 o 9.21433  0.0762722 84.9141      1.40559  86.0708      2.03244  83.8538      1.94599  9.27628  0.109551  9.1561   0.106268  
1 1 1 32 3  13 o 24.439   0.166204  597.616      8.12373  605.671      11.7643  590.274      11.2316  24.5952  0.239157  24.2816  0.231278  
1 1 1 32 3  14 o 3.0478   0.107639  9.29153      0.656126 8.6474       0.926505 9.93957      0.929307 2.93981  0.157579  3.15193  0.147419  
1 1 1 32 3  15 f 3.42783  0.110752  11.7536      0.759281 13.614       1.09219  10.0136      1.05628  3.68869  0.148046  3.16331  0.166957  
1 1 1 32 3  16 o 11.9659  0.0934655 143.217      2.23679  144.944      3.20172  141.571      3.12624  12.0363  0.133003  11.8954  0.131405  
1 1 1 32 3  17 o 4.39736  0.099206  19.3428      0.872488 19.8552      1.24693  18.8513      1.22124  4.45453  0.139962  4.34044  0.140682  
1 1 1 32 3  18 o 5.62649  0.092795  31.668       1.04422  32.3352      1.45115  30.9514      1.50375  5.6846   0.127639  5.56142  0.135195  
1 1 1 32 3  19 o 3.90575  0.104931  15.2628      0.81967  16.9796      1.14336  13.4475      1.1757   4.11875  0.138799  3.66483  0.160403  
1 1 1 32 3  20 o 2.19898  0.171913  4.84348      0.756064 4.61244      1.05914  5.08355      1.07963  2.14402  0.246999  2.25107  0.239803  
1 1 1 32 3  21 o 7.44446  0.083124  55.4451      1.23763  54.2205      1.74175  56.694       1.75891  7.36003  0.118325  7.52613  0.116854  
1 1 1 32 3  22 o 11.8306  0.0971421 140.069      2.2985   138.914      3.27532  141.19       3.22638  11.777   0.139056  11.8735  0.135865  
1 1 1 32 3  23 o 12.3946  0.102217  153.792      2.53387  152.075      3.62691  155.429      3.54149  12.3182  0.147218  12.4542  0.142181  
1 1 1 32 3  24 o 3.97609  0.105611  15.8302      0.839836 13.8332      1.19175  17.8003      1.1837   3.71362  0.160457  4.2141   0.140446  
1 1 1 32 3  25 o 3.74918  0.113681  14.0821      0.852419 13.935       1.19453  14.2347      1.21678  3.72616  0.16029   3.7659   0.161552  
1 1 1 32 3  26 o 1.1795   0.321721  1.46124      0.779752 1.83893      1.05276  1.00221      1.16058  1.32349  0.378525  1.0969   0.403073  
1 1 1 32 3  27 o 5.43187  0.102213  29.566       1.11042  31.6552      1.5891   27.5725      1.55228  5.61525  0.141499  5.23966  0.148128  
1 1 1 32 3  28 f 4.85089  0.104775  23.5889      1.0165   22.2608      1.44188  24.9011      1.43327  4.70587  0.1532    4.97865  0.143941  
1 1 1 32 3  29 o 4.91195  0.107545  24.2034      1.05651  25.572       1.47594  22.7652      1.51301  5.04229  0.146356  4.75504  0.159095  
1 1 1 32 3  30 f 2.57973  0.173402  6.71735      0.894658 5.59831      1.25936  7.85751      1.2712   2.33967  0.269133  2.78045  0.228595  
1 1 1 32 3  31 o 2.54353  0.176797  6.54238      0.899374 6.77166      1.27546  6.31563      1.26839  2.57375  0.247782  2.48391  0.255321  
1 1 1 32 3  32 o 1.72925  0.261308  3.07107      0.903737 3.33715      1.30466  2.82562      1.25306  1.74555  0.384097  1.60212  0.393413  
1 1 1 32 3  33 o 3.67176  0.129543  13.594       0.951298 13.6375      1.35556  13.5519      1.33534  3.66217  0.185077  3.65138  0.182854  
1 1 1 32 3  34 o 2.73853  0.172036  7.62557      0.942251 6.93838      1.2972   8.3931       1.37094  2.58812  0.250607  2.85044  0.240479  
1 1 1 32 3  35 o 0.876656 0.3468    0.537451     0.899458 0.972098     1.28296  0.117315     1.26136  1.07414  0.4169    0.89903  0.387113  
1 1 1 32 3  36 o 1.18555  0.357732  1.57194      0.918727 1.03663      1.29916  2.10744      1.29939  1.08146  0.419568  1.3514   0.428844  
1 1 1 32 3  37 o 0.879537 0.356032  0.508961     0.974484 2.8868       1.37538  -1.88797     1.38089  1.554    0.428796  0.681803 0.329832  
1 1 1 32 3  38 o 1.75819  0.289702  3.36011      1.0187   2.14379      1.4549   4.52997      1.42684  1.32623  0.454715  1.96865  0.375853  
1 1 1 32 3  39 o 1.79752  0.286382  3.56213      1.02956  2.54137      1.50331  4.46381      1.41291  1.39322  0.462238  1.9261   0.380318  
1 1 1 32 3  40 f 1.98272  0.264598  4.35899      1.04925  5.39629      1.48391  3.32183      1.48381  2.13051  0.348254  1.55498  0.450907  
1 1 1 32 3  41 o 0.679144 0.315534  -0.431946    1.03239  -0.631557    1.39324  -0.188877    1.53744  0.756711 0.355715  0.838729 0.387898  
1 1 1 32 3  42 o 0.945737 0.378485  1.17036      1.08364  0.231923     1.51326  2.15811      1.5525   0.840292 0.387174  1.13671  0.453743  
1 1 1 32 3  43 o 0.724008 0.337204  -0.00485868  1.18831  -0.684835    1.70621  0.635661     1.65597  0.748254 0.363059  0.860274 0.399662  
1 1 1 32 3  44 f 0.607467 0.297435  -0.935614    1.21688  1.55196      1.69183  -3.60194     1.75156  0.897327 0.411761  0.572148 0.291327  
1 1 1 32 4  0  o 5.0807   0.0779545 25.8329      0.791707 25.8329      0.791707 25.8329      0.791707 5.08165  0.0550972 ?        ?         
1 1 1 32 4  1  o 11.0603  0.089743  122.344      1.98517  120.925      2.82184  123.735      2.79328  10.9953  0.128321  11.1223  0.125571  
1 1 1 32 4  2  f 4.55006  0.0595209 20.7041      0.541647 20.057       0.772617 21.3295      0.759558 4.47826  0.0862631 4.61815  0.0822362 
1 1 1 32 4  3  o 19.5115  0.133863  380.799      5.22373  382.777      7.26366  378.681      7.51783  19.5596  0.18568   19.4543  0.193218  
1 1 1 32 4  4  f 14.2536  0.101006  203.195      2.87939  203.665      3.94889  202.662      4.20754  14.2691  0.138372  14.2336  0.147803  
1 1 1 32 4  5  o 19.4053  0.141186  376.678      5.47951  374.978      7.62022  378.498      7.88496  19.3587  0.196817  19.449   0.202709  
1 1 1 32 4  6  o 5.4512   0.0589928 29.7172      0.643164 30.6961      0.909918 28.7397      0.909225 5.54012  0.0821208 5.36065  0.0848054 
1 1 1 32 4  7  o 4.32235  0.0590585 18.6837      0.510543 18.4394      0.71074  18.9441      0.733847 4.29388  0.082762  4.35225  0.0843067 
1 1 1 32 4  8  o 26.1992  0.178632  686.738      9.36004  678.294      13.0944  695.56       13.3845  26.031   0.251516  26.36    0.253879  
1 1 1 32 4  9  o 9.96629  0.0803628 99.3377      1.60184  97.1521      2.28729  101.441      2.24401  9.85545  0.116042  10.0707  0.111412  
1 1 1 32 4  10 o 4.07001  0.0677293 16.5664      0.551317 16.0431      0.789682 17.0639      0.77005  4.00502  0.0985865 4.13052  0.0932147 
1 1 1 32 4  11 o 9.5391   0.0771802 91.0053      1.47246  92.3432      2.08134  89.6648      2.08341  9.6084   0.108308  9.46799  0.110024  
1 1 1 32 4  12 o 14.754   0.107467  217.734      3.17113  216.047      4.51966  219.369      4.45045  14.6949  0.153784  14.8076  0.150276  
1 1 1 32 4  13 o 8.79803  0.0773047 77.4155      1.36026  76.5104      1.96652  78.2459      1.88356  8.74581  0.112426  8.84457  0.106481  
1 1 1 32 4  14 o 2.03365  0.155796  4.13809      0.633668 3.76371      0.88805  4.52644      0.904459 1.93882  0.229019  2.1264   0.212674  
1 1 1 32 4  15 o 12.4311  0.0977374 154.57       2.42996  155.088      3.44808  154.06       3.425    12.4503  0.138474  12.409   0.138005  
1 1 1 32 4  16 o 9.55113  0.087975  91.2449      1.68052  92.7713      2.35254  89.6543      2.40144  9.62967  0.122151  9.46635  0.126841  
1 1 1 32 4  17 o 12.6903  0.109253  161.11       2.77291  161.437      3.97379  160.799      3.87119  12.7005  0.156442  12.6757  0.152702  
1 1 1 32 4  18 o 4.92228  0.0897714 24.237       0.88376  22.9871      1.22196  25.6079      1.27969  4.79283  0.127478  5.05871  0.126484  
1 1 1 32 4  19 o 7.89905  0.0846147 62.4173      1.33675  62.0441      1.83278  62.8414      1.95393  7.87415  0.11638   7.92425  0.123288  
1 1 1 32 4  20 o 1.4925   0.248066  2.23559      0.740478 3.29676      1.0867   1.31581      1.01171  1.81093  0.300038  1.16334  0.379201  
1 1 1 32 4  21 o 5.70605  0.0888689 32.5768      1.01418  32.2174      1.43311  32.9373      1.43543  5.67287  0.126313  5.73596  0.125125  
1 1 1 32 4  22 o 2.56522  0.147413  6.59258      0.756294 7.7622       1.10003  5.54413      1.04149  2.7814   0.197748  2.34964  0.221629  
1 1 1 32 4  23 o 10.6481  0.0927478 113.485      1.97517  114.387      2.79703  112.588      2.7896   10.6855  0.13088   10.601   0.131573  
1 1 1 32 4  24 o 6.36211  0.0874305 40.5149      1.11248  41.0069      1.56397  40.011       1.58278  6.39771  0.122229  6.31925  0.125235  
1 1 1 32 4  25 o 3.62073  0.111366  13.1334      0.806449 12.8504      1.12719  13.4302      1.15428  3.57822  0.157507  3.65802  0.157773  
1 1 1 32 4  26 o 6.079    0.0947964 37.0119      1.15253  37.8307      1.51524  35.8879      1.77535  6.14251  0.12334   5.97915  0.148462  
1 1 1 32 4  27 o 4.36082  0.110812  19.0639      0.966465 19.2391      1.38915  18.8995      1.34547  4.37518  0.158754  4.33688  0.155119  
1 1 1 32 4  28 o 4.03633  0.115711  16.3426      0.934094 17.8886      1.3999   15.1017      1.25411  4.21607  0.16602   3.87437  0.161847  
1 1 1 32 4  29 o 4.31902  0.114912  18.7231      0.992611 18.7299      1.35427  18.7151      1.45912  4.31304  0.156997  4.30893  0.169313  
1 1 1 32 4  30 o 2.64486  0.164409  7.05585      0.869677 9.03838      1.21773  4.99195      1.24246  2.98632  0.203884  2.20607  0.281601  
1 1 1 32 4  31 o 2.43279  0.187664  5.99325      0.913098 6.7627       1.31775  5.28258      1.26641  2.57014  0.256358  2.26661  0.279361  
1 1 1 32 4  32 o 2.11338  0.212392  4.54672      0.897729 5.47673      1.29247  3.67978      1.24787  2.3042   0.280459  1.84669  0.350551  
1 1 1 32 4  33 f 1.0489   0.349125  1.12855      0.857588 1.29751      1.21639  0.961573     1.20926  1.15387  0.413754  1.06886  0.407242  
1 1 1 32 4  34 f 2.82675  0.170883  8.12501      0.966088 8.24007      1.3456   8.0026       1.38789  2.82459  0.238193  2.77923  0.24969   
1 1 1 32 4  35 o 3.89737  0.132333  15.3619      1.0315   14.4958      1.45095  16.247       1.4667   3.76196  0.192845  3.987    0.183935  
1 1 1 32 4  36 o 1.16736  0.365009  1.51748      0.945143 1.6494       1.34757  1.38975      1.32596  1.23233  0.43613   1.16704  0.43062   
1 1 1 32 4  37 f 3.56224  0.153019  12.9494      1.09018  13.9733      1.53913  11.9184      1.54438  3.66838  0.209783  3.37617  0.228718  
1 1 1 32 4  38 o 0.797202 0.343213  0.15957      0.991198 0.574238     1.34878  -0.327327    1.46153  0.969638 0.408173  0.859794 0.390567  
1 1 1 32 4  39 o 1.94435  0.260601  4.10803      1.0134   2.60346      1.49335  5.39232      1.37971  1.40567  0.460704  2.18702  0.315432  
1 1 1 32 4  40 o 2.12081  0.240328  4.91579      1.01938  5.85987      1.47825  4.0598       1.40758  2.23016  0.331422  1.76927  0.406149  
1 1 1 32 4  41 o 0.740936 0.331943  0.0205402    1.01761  0.679217     1.4187   -0.677458    1.46044  0.930487 0.405687  0.766488 0.36144   
1 1 1 32 4  42 o 0.730309 0.335334  -0.0281184   1.12406  0.345252     1.58826  -0.402814    1.59107  0.857497 0.39569   0.781091 0.372181  
1 1 1 32 4  43 o 0.973718 0.398049  1.62299      1.23144  1.84659      1.70979  1.38199      1.77508  0.983195 0.435905  0.925371 0.423431  
1 1 1 32 4  44 o 0.79995  0.360489  0.819279     1.21683  -0.542406    1.65975  2.40175      1.78926  0.710967 0.347938  0.993999 0.442867  
1 1 1 32 5  0  o 29.2498  0.287105  856.316      16.7919  856.316      16.7919  856.316      16.7919  29.2562  0.202947  ?        ?         
1 1 1 32 5  1  o 22.3679  0.157978  500.507      7.06726  496.235      9.80023  505.137      10.2011  22.2682  0.22005   22.4665  0.227028  
1 1 1 32 5  2  o 16.4424  0.119013  270.41       3.91373  270.269      5.40675  270.565      5.67252  16.4365  0.164474  16.4452  0.172468  
1 1 1 32 5  3  o 7.43602  0.0619085 55.2976      0.920706 53.6462      1.25737  57.2066      1.35192  7.32395  0.0858396 7.56305  0.0893763 
1 1 1 32 5  4  o 21.2574  0.148689  452.027      6.32151  449.824      8.90322  454.266      8.97716  21.202   0.209962  21.3063  0.210669  
1 1 1 32 5  5  o 21.2855  0.156128  453.237      6.64651  451.379      9.37166  455.117      9.42777  21.2378  0.220636  21.3255  0.221044  
1 1 1 32 5  6  o 10.6515  0.0797533 113.466      1.69899  112.716      2.37059  114.258      2.43623  10.6158  0.111654  10.6881  0.113969  
1 1 1 32 5  7  f 4.61506  0.0611518 21.3         0.564438 20.1915      0.802834 22.3834      0.793716 4.49322  0.0893384 4.73085  0.0838873 
1 1 1 32 5  8  o 10.5998  0.0812186 112.368      1.7218   110.422      2.35244  114.612      2.5269   10.5071  0.111945  10.7045  0.11803   
1 1 1 32 5  9  o 30.5655  0.205966  934.953      12.5909  930.308      17.547   939.884      18.0773  30.4782  0.287861  30.6335  0.295058  
1 1 1 32 5  10 f 15.9811  0.112706  255.458      3.60231  253.564      5.06342  257.398      5.12602  15.9197  0.15903   16.0396  0.159793  
1 1 1 32 5  11 o 4.85286  0.0679791 23.5525      0.659786 23.6262      0.944592 23.4824      0.921977 4.8602   0.0971762 4.84541  0.0951393 
1 1 1 32 5  12 o 1.59751  0.169676  2.5536       0.542119 2.78492      0.76476  2.31995      0.768597 1.66787  0.229263  1.5221   0.25248   
1 1 1 32 5  13 o 2.9416   0.10612   8.65523      0.624327 7.55813      0.909176 9.63419      0.858835 2.74835  0.165404  3.10323  0.138378  
1 1 1 32 5  14 o 7.06551  0.0778197 49.9289      1.09967  49.5539      1.52884  50.3309      1.58292  7.03842  0.108607  7.09332  0.111578  
1 1 1 32 5  15 o 14.0949  0.109261  198.732      3.08006  196.807      4.32488  200.714      4.38753  14.0242  0.154194  14.1627  0.154898  
1 1 1 32 5  16 o 2.18439  0.161598  4.77539      0.705984 5.09259      1.03548  4.49986      0.965061 2.25485  0.229612  2.1196   0.227652  
1 1 1 32 5  17 o 3.48302  0.109951  12.1367      0.765923 12.1922      1.09889  12.0843      1.06812  3.49016  0.157427  3.47475  0.153698  
1 1 1 32 5  18 o 3.87486  0.104716  15.022       0.811522 16.0573      1.12093  13.8816      1.1764   4.00537  0.139929  3.7237   0.157962  
1 1 1 32 5  19 o 6.98635  0.0857356 48.8281      1.19796  49.5781      1.80493  48.2375      1.60158  7.03814  0.128225  6.9429   0.11534   
1 1 1 32 5  20 o 3.24783  0.118498  10.5575      0.769726 10.0267      1.09171  11.0822      1.08543  3.16359  0.172543  3.32625  0.163161  
1 1 1 32 5  21 o 8.70173  0.0870111 75.762       1.51429  75.3818      2.21844  76.0937      2.07211  8.67702  0.127834  8.71861  0.118833  
1 1 1 32 5  22 o 2.83688  0.130616  8.06057      0.741083 7.12898      1.03714  9.03242      1.05931  2.66536  0.194558  3.00109  0.176489  
1 1 1 32 5  23 o 2.30021  0.159803  5.30588      0.735161 4.68784      1.02868  5.95106      1.05103  2.15839  0.238299  2.43322  0.215974  
1 1 1 32 5  24 o 2.26222  0.169671  5.13697      0.767666 7.33954      1.08249  2.90853      1.08883  2.70205  0.200308  1.66368  0.33899   
1 1 1 32 5  25 o 2.09784  0.177733  4.42193      0.745711 4.11103      1.03815  4.75333      1.07185  2.01738  0.257301  2.17012  0.246956  
1 1 1 32 5  26 o 3.18947  0.139148  10.2083      0.887619 10.2067      1.20653  10.2102      1.31047  3.18445  0.189441  3.18314  0.205845  
1 1 1 32 5  27 o 4.16596  0.109061  17.3979      0.908686 18.1379      1.2748   16.6335      1.2956   4.24905  0.15001   4.06783  0.15925   
1 1 1 32 5  28 o 5.02372  0.101929  25.3012      1.02412  26.7265      1.47669  23.9803      1.42154  5.15701  0.143173  4.88448  0.145516  
1 1 1 32 5  29 o 2.55496  0.175605  6.58589      0.897325 5.64479      1.24516  7.60271      1.29428  2.35239  0.264659  2.73545  0.236575  
1 1 1 32 5  30 o 1.65748  0.251243  2.80487      0.832862 2.99481      1.1951   2.62552      1.16132  1.66247  0.369149  1.55379  0.377007  
1 1 1 32 5  31 o 1.81629  0.251696  3.37351      0.914303 4.33218      1.32689  2.50684      1.26162  2.04286  0.324763  1.51201  0.40781   
1 1 1 32 5  32 f 3.01922  0.153447  9.20199      0.92658  9.01102      1.30864  9.39399      1.31213  2.97272  0.220108  3.0363   0.216074  
1 1 1 32 5  33 o 3.24379  0.142866  10.6309      0.926854 10.2232      1.29239  11.0627      1.32995  3.16417  0.204223  3.29226  0.201982  
1 1 1 32 5  34 f 2.40928  0.186797  5.92323      0.900092 6.63771      1.25406  5.16409      1.29267  2.53124  0.247716  2.21791  0.291415  
1 1 1 32 5  35 o 2.21471  0.207526  5.04598      0.919221 5.49049      1.29937  4.60064      1.30058  2.28214  0.284683  2.07792  0.312952  
1 1 1 32 5  36 o 4.48926  0.123975  20.3888      1.11311  20.4692      1.55747  20.3049      1.59144  4.47301  0.174096  4.45233  0.178719  
1 1 1 32 5  37 o 1.36047  0.356614  2.1311       0.982131 1.50755      1.34087  2.85283      1.44258  1.18371  0.433418  1.53294  0.444626  
1 1 1 32 5  38 o 1.30205  0.365041  2.01789      0.988625 1.85202      1.35984  2.20386      1.43984  1.24     0.438184  1.32794  0.452375  
1 1 1 32 5  39 o 2.27995  0.22254   5.53654      1.01476  6.53227      1.48632  4.66716      1.38882  2.40901  0.308491  1.97594  0.365168  
1 1 1 32 5  40 o 2.95635  0.19648   9.30808      1.16173  9.65835      1.66089  8.97255      1.62555  2.91356  0.285027  2.80219  0.290049  
1 1 1 32 5  41 o 0.809403 0.347674  0.426354     1.01297  1.61366      1.37968  -0.962197    1.49203  1.09074  0.430139  0.742958 0.355559  
1 1 1 32 5  42 o 0.748338 0.341346  0.0963051    1.14193  0.337991     1.69318  -0.105351    1.54662  0.864098 0.402474  0.797973 0.375016  
1 1 1 32 5  43 o 0.802489 0.362378  0.706035     1.23593  0.536917     1.74631  0.875757     1.74942  0.824616 0.391492  0.855988 0.401565  
1 1 1 32 5  44 o 0.653478 0.313686  -0.287592    1.18365  -1.52839     1.57812  1.30809      1.78963  0.630605 0.314048  0.857046 0.40296   
1 1 1 32 6  0  o 32.2901  0.324114  1043.77      20.9266  1043.77      20.9266  1043.77      20.9266  32.2986  0.229097  ?        ?         
1 1 1 32 6  1  o 16.4683  0.118042  271.261      3.88791  269.234      5.39579  273.448      5.60697  16.405   0.164456  16.5327  0.169572  
1 1 1 32 6  2  o 16.6744  0.117978  278.092      3.93441  277.875      5.55474  278.31       5.5735   16.6661  0.166648  16.6791  0.167081  
1 1 1 32 6  3  o 5.40678  0.0565075 29.2347      0.611048 28.5418      0.863846 29.9286      0.864459 5.34218  0.0808514 5.47044  0.0790118 
1 1 1 32 6  4  o 16.8357  0.117758  283.499      3.96508  283.883      5.68133  283.135      5.53643  16.8452  0.168634  16.8231  0.164548  
1 1 1 32 6  5  o 18.5432  0.132123  343.939      4.89995  344.324      7.02428  343.574      6.83859  18.5508  0.189325  18.5309  0.184518  
1 1 1 32 6  6  o 17.5098  0.122554  306.665      4.29181  305.917      6.13403  307.382      6.00702  17.4863  0.175396  17.5283  0.171352  
1 1 1 32 6  7  o 26.5731  0.185223  706.525      9.8439   705.594      13.6018  707.549      14.2646  26.5486  0.256169  26.5839  0.268293  
1 1 1 32 6  8  o 14.2582  0.106149  203.336      3.02698  206.611      4.33939  200.232      4.22452  14.3711  0.150976  14.1475  0.149302  
1 1 1 32 6  9  o 11.2174  0.0838543 125.846      1.88125  123.535      2.62799  128.275      2.69422  11.1132  0.118238  11.3243  0.118957  
1 1 1 32 6  10 o 10.836   0.082337  117.435      1.78441  115.96       2.50644  118.951      2.54098  10.767   0.116395  10.9049  0.116506  
1 1 1 32 6  11 o 5.05128  0.0664099 25.5178      0.670911 24.5147      0.931703 26.5982      0.966899 4.95077  0.0940968 5.15687  0.0937487 
1 1 1 32 6  12 o 8.46279  0.0763351 71.628       1.29202  71.4243      1.80878  71.8402      1.84617  8.45023  0.107025  8.47475  0.108922  
1 1 1 32 6  13 o 12.6458  0.106381  159.958      2.69055  156.162      3.68628  164.285      3.936    12.4933  0.147531  12.8138  0.153584  
1 1 1 32 6  14 o 2.93599  0.108914  8.62271      0.639544 8.54756      0.87875  8.70734      0.93255  2.92276  0.150329  2.94986  0.158067  
1 1 1 32 6  15 o 4.08444  0.0910213 16.6866      0.743542 15.8502      1.0408   17.5585      1.0626   3.98025  0.130745  4.18931  0.126822  
1 1 1 32 6  16 o 2.92902  0.131816  8.58395      0.772183 8.69924      1.11208  8.47661      1.07303  2.94775  0.188632  2.90986  0.184378  
1 1 1 32 6  17 o 10.3857  0.0927465 107.9        1.92648  108.793      2.7459   107.034      2.7035   10.4268  0.131675  10.3422  0.130702  
1 1 1 32 6  18 o 4.36319  0.0978329 19.0461      0.853727 18.8234      1.17731  19.293       1.23982  4.33669  0.135739  4.39029  0.1412    
1 1 1 32 6  19 f 4.39279  0.0966638 19.3066      0.849248 20.4964      1.26463  18.3294      1.14613  4.52484  0.139743  4.27916  0.13392   
1 1 1 32 6  20 o 8.47136  0.0849955 71.7975      1.44006  71.4449      2.08288  72.1203      1.99317  8.4483   0.123272  8.48853  0.117404  
1 1 1 32 6  21 o 4.80616  0.0906171 23.114       0.871041 23.5711      1.25813  22.6932      1.20713  4.8518   0.129656  4.76073  0.12678   
1 1 1 32 6  22 o 7.88906  0.0823075 62.2796      1.29866  61.5184      1.8114   63.0847      1.86283  7.83815  0.115551  7.93714  0.117349  
1 1 1 32 6  23 o 5.82708  0.0869499 33.9841      1.01333  33.4171      1.40558  34.5978      1.46222  5.77585  0.121677  5.87676  0.124407  
1 1 1 32 6  24 o 0.771207 0.309871  0.284159     0.73049  0.890056     0.982619 -0.464391    1.09218  1.02512  0.371449  0.769512 0.344339  
1 1 1 32 6  25 o 5.94448  0.0883343 35.3805      1.0502   35.8117      1.45209  34.9076      1.52071  5.97724  0.121468  5.90044  0.128864  
1 1 1 32 6  26 o 3.36205  0.129845  11.3392      0.873091 10.8996      1.1595   11.9149      1.32682  3.29186  0.176116  3.43977  0.192864  
1 1 1 32 6  27 o 3.4149   0.121754  11.6982      0.831556 12.3892      1.1734   11.0011      1.17861  3.50953  0.167173  3.30576  0.178266  
1 1 1 32 6  28 o 3.0033   0.144109  9.06736      0.865608 8.98667      1.16772  9.16577      1.28965  2.98337  0.195705  3.01009  0.214221  
1 1 1 32 6  29 o 2.88688  0.154853  8.39347      0.894087 7.1978       1.28625  9.5113       1.24368  2.66     0.241776  3.06547  0.202853  
1 1 1 32 6  30 o 2.84239  0.155803  8.14716      0.885707 7.38801      1.22324  8.98377      1.28414  2.69392  0.227037  2.97315  0.215955  
1 1 1 32 6  31 o 2.75834  0.167916  7.6879       0.926338 8.41783      1.34942  7.03737      1.27392  2.87194  0.234931  2.62413  0.242732  
1 1 1 32 6  32 o 2.29713  0.189016  5.35607      0.86839  5.53878      1.20186  5.1565       1.25612  2.3207   0.258943  2.23365  0.28118   
1 1 1 32 6  33 o 2.09171  0.210241  4.47536      0.879528 2.5972       1.22037  6.50527      1.26872  1.52236  0.396814  2.50928  0.252805  
1 1 1 32 6  34 o 1.21946  0.337412  1.6396       0.85019  0.993068     1.18785  2.31869      1.21739  1.06345  0.404075  1.43042  0.406392  
1 1 1 32 6  35 o 1.5087   0.307406  2.49916      0.895405 3.08476      1.23894  1.85882      1.29555  1.64589  0.383186  1.28969  0.42911   
1 1 1 32 6  36 o 1.12956  0.368256  1.40046      0.954149 0.874342     1.31009  1.99476      1.3924   1.04719  0.41719   1.32126  0.444861  
1 1 1 32 6  37 o 1.14069  0.36382   1.46527      0.93435  1.47873      1.30239  1.451        1.34121  1.172    0.427346  1.16936  0.432764  
1 1 1 32 6  38 o 1.45971  0.342303  2.49901      0.983064 2.84005      1.33616  2.09655      1.45152  1.50353  0.425305  1.2966   0.45325   
1 1 1 32 6  39 o 1.25409  0.359017  1.91386      0.94661  1.58042      1.33003  2.25614      1.34756  1.14893  0.429806  1.31687  0.437638  
1 1 1 32 6  40 o 0.788312 0.34617   0.201236     1.04834  -0.188802    1.44104  0.639735     1.52794  0.826114 0.379475  0.954274 0.418489  
1 1 1 32 6  41 o 0.821505 0.349042  0.532327     1.00152  0.372534     1.37131  0.714996     1.46619  0.861908 0.385758  0.92642  0.408085  
1 1 1 32 6  42 o 1.29245  0.406727  2.59204      1.17103  1.35759      1.74494  3.60359      1.57956  0.983371 0.437762  1.42072  0.473816  
1 1 1 32 6  43 o 0.587885 0.289089  -1.13527     1.17261  -0.942987    1.60279  -1.35672     1.72006  0.685809 0.33748   0.677719 0.336114  
1 1 1 32 6  44 o 0.540077 0.269689  -1.71134     1.20271  -1.6438      1.68532  -1.78142     1.71689  0.631842 0.315921  0.62988  0.315301  
1 1 1 32 7  0  o 12.1256  0.120468  147.091      2.92085  147.091      2.92085  147.091      2.92085  12.1269  0.0851655 ?        ?         
1 1 1 32 7  1  o 22.9111  0.156225  525.111      7.15859  518.997      10.2369  530.962      10.0144  22.7727  0.224761  23.0343  0.217379  
1 1 1 32 7  2  o 1.09189  0.168613  1.19273      0.368214 0.768336     0.538076 1.5665       0.504965 0.880449 0.27543   1.25121  0.201791  
1 1 1 32 7  3  o 18.4752  0.134763  341.427      4.97956  340.781      7.12146  342.045      6.96546  18.455   0.192941  18.4894  0.188363  
1 1 1 32 7  4  o 14.7043  0.103106  216.25       3.03221  216.079      4.28772  216.422      4.28866  14.6972  0.145869  14.7089  0.145785  
1 1 1 32 7  5  o 13.404   0.0996551 179.694      2.67155  179.075      3.76866  180.319      3.78769  13.3798  0.140834  13.4262  0.141056  
1 1 1 32 7  6  o 19.062   0.13303   363.465      5.07165  362.234      7.24007  364.651      7.10659  19.0267  0.190261  19.0903  0.186131  
1 1 1 32 7  7  o 11.8621  0.0887457 140.729      2.10542  138.239      2.93283  143.376      3.02431  11.7559  0.124738  11.9723  0.126305  
1 1 1 32 7  8  o 18.6152  0.142218  346.656      5.29484  351.408      7.58164  342.132      7.3978   18.7386  0.2023    18.4898  0.200051  
1 1 1 32 7  9  o 14.1693  0.101356  200.811      2.8723   196.127      3.99178  205.84       4.13615  14.0016  0.142547  14.3441  0.144176  
1 1 1 32 7  10 o 14.1819  0.100745  201.169      2.85752  198.251      4.03345  204.109      4.04886  14.0772  0.143262  14.2837  0.141731  
1 1 1 32 7  11 o 19.3447  0.133155  374.361      5.1517   369.178      7.28234  379.552      7.28886  19.2065  0.18958   19.4747  0.187136  
1 1 1 32 7  12 o 22.8153  0.16882   520.875      7.70337  523.179      10.6814  518.378      11.1203  22.8588  0.233638  22.7524  0.244375  
1 1 1 32 7  13 o 6.34234  0.0765211 40.2312      0.970646 38.6068      1.36921  41.8722      1.37622  6.2125   0.110198  6.46996  0.106354  
1 1 1 32 7  14 o 7.08416  0.0765182 50.1934      1.08414  49.3366      1.52737  51.0634      1.5391   7.02286  0.108743  7.14473  0.107709  
1 1 1 32 7  15 o 13.0674  0.108822  170.818      2.84403  168.055      4.12076  173.331      3.93013  12.9586  0.158997  13.1611  0.149309  
1 1 1 32 7  16 o 10.2562  0.0934943 105.221      1.91778  102.666      2.70805  107.792      2.71628  10.1292  0.133675  10.3792  0.130853  
1 1 1 32 7  17 o 6.30976  0.0810767 39.8244      1.02315  39.9006      1.4246   39.7434      1.47039  6.31493  0.112796  6.30235  0.116654  
1 1 1 32 7  18 o 7.26872  0.0866801 52.8544      1.26011  53.502       1.73714  52.1353      1.83065  7.3119   0.118789  7.21755  0.12682   
1 1 1 32 7  19 o 6.59937  0.0824125 43.5691      1.08774  43.4465      1.58791  43.6775      1.49307  6.58859  0.120504  6.60641  0.113001  
1 1 1 32 7  20 o 8.20215  0.0866239 67.31        1.421    70.5042      2.1041   64.6315      1.92679  8.39209  0.125362  8.03535  0.119895  
1 1 1 32 7  21 o 6.10091  0.0841283 37.2432      1.02652  37.6194      1.46798  36.8833      1.43598  6.12975  0.119742  6.06957  0.118293  
1 1 1 32 7  22 o 3.81234  0.102905  14.5502      0.784616 14.5375      1.07424  14.5646      1.14873  3.80884  0.14102   3.81183  0.150679  
1 1 1 32 7  23 o 2.65638  0.142582  7.07369      0.757504 7.31903      1.04638  6.80354      1.09803  2.69924  0.193829  2.60135  0.211051  
1 1 1 32 7  24 o 5.24509  0.088271  27.5416      0.92598  28.8795      1.30676  26.1922      1.31232  5.36827  0.121711  5.1118   0.128362  
1 1 1 32 7  25 o 7.97709  0.087011  63.7141      1.38819  63.211       1.88627  64.3085      2.05037  7.94114  0.118765  8.00826  0.128016  
1 1 1 32 7  26 f 2.85199  0.144575  8.16723      0.824654 8.00356      1.13154  8.35264      1.20433  2.81795  0.200774  2.87777  0.209247  
1 1 1 32 7  27 o 3.39386  0.121149  11.5557      0.822323 10.8374      1.13784  12.341       1.18977  3.2812   0.173388  3.50188  0.169877  
1 1 1 32 7  28 o 1.99593  0.208913  4.03021      0.83395  4.42259      1.14918  3.59369      1.2121   2.08206  0.275973  1.84005  0.342153  
1 1 1 32 7  29 o 4.33247  0.118739  18.8514      1.02886  20.925       1.50033  17.0106      1.4136   4.55546  0.164674  4.10575  0.172149  
1 1 1 32 7  30 o 3.30958  0.137571  11.0283      0.910603 10.9487      1.27285  11.1116      1.30327  3.28658  0.193643  3.31019  0.196857  
1 1 1 32 7  31 o 5.32391  0.114255  28.4867      1.21657  27.8104      1.68354  29.2257      1.75997  5.24754  0.160412  5.37834  0.163617  
1 1 1 32 7  32 o 2.45416  0.176505  6.10861      0.866343 6.05535      1.20671  6.16526      1.24455  2.42673  0.248629  2.44711  0.254291  
1 1 1 32 7  33 o 1.76798  0.241684  3.22455      0.854587 1.67678      1.19076  4.86849      1.2272   1.24882  0.41139   2.15964  0.284121  
1 1 1 32 7  34 o 2.85203  0.159237  8.26011      0.908299 10.2925      1.28914  6.25659      1.27997  3.16808  0.203457  2.45041  0.261174  
1 1 1 32 7  35 o 0.909938 0.347911  0.696923     0.885128 -0.135562    1.23429  1.57826      1.26999  0.84324  0.372551  1.21014  0.423873  
1 1 1 32 7  36 o 2.00853  0.240926  4.2159       0.967815 4.60968      1.33105  3.77419      1.40973  2.06533  0.322236  1.80485  0.401069  
1 1 1 32 7  37 o 1.12365  0.364552  1.42362      0.935202 2.02118      1.29928  0.781191     1.34717  1.30615  0.429727  1.0204   0.416599  
1 1 1 32 7  38 o 2.5016   0.20536   6.57731      1.02746  8.13004      1.44657  4.99643      1.45962  2.73865  0.264101  2.05522  0.368452  
1 1 1 32 7  39 o 1.07979  0.365439  1.3921       0.939611 0.775626     1.3411   1.98649      1.31686  0.976373 0.408818  1.2414   0.431927  
1 1 1 32 7  40 o 1.11822  0.385347  1.62861      1.046    1.66492      1.4362   1.5876       1.52645  1.12105  0.439861  1.10812  0.446818  
1 1 1 32 7  41 o 0.596906 0.287311  -0.960577    1.00989  -1.41552     1.37715  -0.431311    1.48538  0.663824 0.323267  0.778174 0.366236  
1 1 1 32 7  42 o 0.586561 0.286509  -1.25408     1.11141  -1.7884      1.68182  -0.839833    1.48084  0.686271 0.338405  0.713245 0.344434  
1 1 1 32 7  43 o 0.618406 0.299925  -0.693828    1.16219  -2.01475     1.59016  0.820838     1.70279  0.614899 0.30745   0.828684 0.390625  
1 1 1 32 7  44 o 0.698689 0.328615  0.378253     1.19213  0.152722     1.62935  0.638081     1.74886  0.711223 0.347291  0.753023 0.36606   
1 1 1 32 8  0  o 15.2398  0.147334  232.353      4.48973  232.353      4.48973  232.353      4.48973  15.2414  0.104159  ?        ?         
1 1 1 32 8  1  o 9.90592  0.0740049 98.1353      1.46617  98.0132      2.07167  98.2577      2.0753   9.89933  0.104637  9.91167  0.10469   
1 1 1 32 8  2  o 1.1764   0.155912  1.38442      0.366829 0.895039     0.53669  1.8135       0.502541 0.936253 0.271082  1.3463   0.186638  
1 1 1 32 8  3  o 12.6392  0.0921743 159.771      2.33003  160.465      3.39003  159.15       3.20782  12.6657  0.133827  12.6139  0.127155  
1 1 1 32 8  4  o 14.6537  0.104235  214.769      3.05487  212.521      4.32924  216.997      4.31129  14.5755  0.148511  14.7283  0.146361  
1 1 1 32 8  5  o 11.1337  0.0846048 123.974      1.88393  121.083      2.65268  126.917      2.67603  11.0024  0.12055   11.2644  0.118783  
1 1 1 32 8  6  o 15.7016  0.109988  246.592      3.45396  244.392      4.96377  248.657      4.80916  15.6295  0.158795  15.7656  0.152521  
1 1 1 32 8  7  o 3.60653  0.0727208 13.0083      0.524539 11.9687      0.717839 14.1995      0.768357 3.45923  0.103757  3.76785  0.101962  
1 1 1 32 8  8  o 11.1624  0.0823454 124.617      1.83835  123.735      2.61153  125.483      2.58826  11.1221  0.117403  11.2004  0.115543  
1 1 1 32 8  9  o 15.2078  0.105512  231.329      3.2092   228.473      4.49832  234.29       4.57976  15.1118  0.148834  15.303   0.149636  
1 1 1 32 8  10 o 23.2799  0.161749  542.258      7.53102  540.817      10.513   543.778      10.7935  23.2427  0.226157  23.3056  0.231563  
1 1 1 32 8  11 o 21.8746  0.160009  478.768      7.00026  475.832      9.74319  481.901      10.0643  21.8015  0.223452  21.9395  0.229366  
1 1 1 32 8  12 o 10.9414  0.090434  119.737      1.97895  119.928      2.77432  119.54       2.82365  10.9491  0.126692  10.9312  0.129155  
1 1 1 32 8  13 o 4.55956  0.0811048 20.7932      0.739604 19.1131      1.05056  22.4441      1.04142  4.37103  0.120173  4.73677  0.109929  
1 1 1 32 8  14 o 18.7698  0.132738  352.485      4.98293  353.111      7.24179  351.923      6.867    18.7812  0.192794  18.7505  0.183115  
1 1 1 32 8  15 o 11.8091  0.100064  139.499      2.36333  138.329      3.40687  140.584      3.28119  11.7574  0.144882  11.8532  0.138409  
1 1 1 32 8  16 f 8.30025  0.0879163 68.9145      1.45945  68.4576      2.13788  69.3133      1.99725  8.27125  0.129236  8.32315  0.119982  
1 1 1 32 8  17 o 11.542   0.0992851 133.278      2.29189  135.219      3.19048  131.209      3.29448  11.6233  0.137245  11.4491  0.143875  
1 1 1 32 8  18 o 7.32916  0.0844041 53.7372      1.23722  53.0372      1.64744  54.6428      1.87371  7.28017  0.113146  7.3889   0.126792  
1 1 1 32 8  19 o 2.95171  0.119644  8.72034      0.706312 9.20636      0.986051 8.2082       1.01221  3.03169  0.162624  2.8622   0.176825  
1 1 1 32 8  20 o 3.07795  0.12106   9.48394      0.745235 9.45011      1.05675  9.5174       1.05112  3.07073  0.172068  3.0817   0.170541  
1 1 1 32 8  21 o 5.44848  0.0832812 29.7048      0.907512 30.1886      1.26691  29.1949      1.30058  5.49108  0.115361  5.39965  0.120432  
1 1 1 32 8  22 o 7.84115  0.0820262 61.5289      1.28636  61.397       1.8236   61.6595      1.81481  7.82982  0.116452  7.84662  0.115643  
1 1 1 32 8  23 o 5.7915   0.0871025 33.5741      1.00891  33.8244      1.43441  33.3291      1.41933  5.81019  0.123439  5.76753  0.123045  
1 1 1 32 8  24 o 8.47173  0.0859248 71.8487      1.45586  72.5538      2.06614  71.1534      2.05174  8.50848  0.121416  8.42591  0.121752  
1 1 1 32 8  25 o 1.96055  0.193841  3.86911      0.760072 2.96832      1.03802  4.91034      1.11602  1.68121  0.320231  2.20349  0.253238  
1 1 1 32 8  26 o 1.82856  0.203223  3.37156      0.743211 4.1514       1.03153  2.52973      1.07174  2.02432  0.254785  1.54156  0.354756  
1 1 1 32 8  27 o 3.29997  0.125102  10.9292      0.825666 10.6538      1.17596  11.197       1.15955  3.25177  0.180819  3.33458  0.173867  
1 1 1 32 8  28 o 2.86104  0.152856  8.23894      0.874656 8.80956      1.18656  7.55992      1.29436  2.95164  0.201     2.72838  0.237204  
1 1 1 32 8  29 o 4.89648  0.109321  24.0662      1.07057  27.677       1.60861  21.1954      1.43436  5.24118  0.153459  4.58594  0.156387  
1 1 1 32 8  30 o 1.35095  0.318122  1.96346      0.846312 1.95427      1.2019   1.9725       1.19189  1.34809  0.409645  1.35322  0.407284  
1 1 1 32 8  31 o 0.906875 0.345483  0.636322     0.870221 1.28308      1.24107  0.0107748    1.22055  1.16414  0.41788   0.883444 0.380605  
1 1 1 32 8  32 o 1.18757  0.333618  1.53316      0.824932 1.69611      1.141    1.3547       1.19407  1.25538  0.402211  1.16539  0.410732  
1 1 1 32 8  33 o 0.508241 0.249328  -1.64097     0.863487 -0.580369    1.2005   -2.77783     1.24291  0.773349 0.352011  0.574326 0.285001  
1 1 1 32 8  34 o 1.66189  0.262133  2.88085      0.87127  4.02445      1.23568  1.75017      1.22868  1.94486  0.317677  1.26277  0.417888  
1 1 1 32 8  35 o 0.642171 0.295783  -0.562244    0.882163 -0.0792745   1.23288  -1.06894     1.26279  0.850665 0.374465  0.725267 0.340409  
1 1 1 32 8  36 o 1.07291  0.365546  1.23612      0.940161 1.39332      1.28585  1.05555      1.37812  1.15614  0.424323  1.09293  0.430247  
1 1 1 32 8  37 o 2.1101   0.232072  4.69291      0.979391 5.33717      1.34624  3.96857      1.42746  2.21039  0.304526  1.82428  0.402061  
1 1 1 32 8  38 o 1.66036  0.306684  3.14224      0.980125 2.89522      1.41629  3.36928      1.35777  1.49907  0.442415  1.64177  0.413454  
1 1 1 32 8  39 o 1.80261  0.270068  3.60482      0.973653 2.78012      1.38198  4.41765      1.37198  1.4374   0.439759  1.89455  0.375436  
1 1 1 32 8  40 o 2.00682  0.265605  4.55909      1.06605  5.87334      1.49108  3.18489      1.52471  2.19978  0.338916  1.46404  0.464535  
1 1 1 32 8  41 o 1.3289   0.382806  2.49658      1.07293  1.70022      1.46633  3.41428      1.57409  1.06847  0.435166  1.42697  0.472994  
1 1 1 32 8  42 o 0.976201 0.389636  1.40905      1.1447   -0.908224    1.59714  3.85679      1.64148  0.72643  0.352092  1.43746  0.483014  
1 1 1 32 8  43 o 0.5841   0.287313  -1.04616     1.15969  -0.583065    1.60189  -1.55618     1.68109  0.69707  0.341296  0.649102 0.323381  
1 1 1 32 8  44 f 0.972233 0.401221  2.35974      1.26297  2.50886      1.75976  2.20135      1.81368  0.882066 0.410637  0.846467 0.400495  
1 1 1 32 9  0  o 7.90659  0.0949787 62.5456      1.50143  62.5456      1.50143  62.5456      1.50143  7.90758  0.0671407 ?        ?         
1 1 1 32 9  1  o 6.94365  0.0649774 48.2175      0.90236  49.4788      1.31011  47.0791      1.24466  7.03362  0.0931322 6.86096  0.090706  
1 1 1 32 9  2  o 10.0076  0.073313  100.16       1.46737  98.9928      2.05982  101.363      2.09088  9.94863  0.103523  10.067   0.103848  
1 1 1 32 9  3  o 24.7015  0.168357  610.448      8.31733  620.049      11.9413  601.401      11.5915  24.8887  0.239894  24.5119  0.236446  
1 1 1 32 9  4  o 17.517   0.119931  306.92       4.20165  302.539      5.92875  311.34       5.95541  17.3893  0.170472  17.6405  0.1688    
1 1 1 32 9  5  f 4.87886  0.0601434 23.8049      0.586863 24.2612      0.855324 23.3989      0.806707 4.92523  0.0868309 4.83694  0.0833903 
1 1 1 32 9  6  o 12.0869  0.0879649 146.116      2.12645  145.944      3.07869  146.272      2.94058  12.0789  0.127441  12.0926  0.121586  
1 1 1 32 9  7  o 4.7323   0.0681464 22.3967      0.644978 20.9333      0.963753 23.5839      0.868015 4.57478  0.105333  4.85593  0.0893768 
1 1 1 32 9  8  o 9.80134  0.07609   96.0777      1.49157  95.4911      2.15018  96.6218      2.07085  9.77073  0.110032  9.82851  0.105349  
1 1 1 32 9  9  o 16.0966  0.116173  259.173      3.73996  254.43       5.19796  264.264      5.3852   15.9464  0.162983  16.2514  0.165684  
1 1 1 32 9  10 o 19.4099  0.137821  376.902      5.3502   375.334      7.547    378.487      7.58579  19.3654  0.194857  19.4466  0.195041  
1 1 1 32 9  11 o 10.2345  0.0846324 104.762      1.73233  103.877      2.38395  105.752      2.52163  10.1904  0.116971  10.2818  0.122626  
1 1 1 32 9  12 o 10.134   0.0846383 102.716      1.71545  104.002      2.49231  101.559      2.36473  10.1962  0.122218  10.0759  0.117346  
1 1 1 32 9  13 o 13.2325  0.10067   175.148      2.66424  175.919      3.78921  174.395      3.74676  13.2597  0.142885  13.2022  0.141899  
1 1 1 32 9  14 f 22.0055  0.168308  484.657      7.40737  484.552      10.5113  484.76       10.4402  21.9934  0.238966  21.9984  0.237295  
1 1 1 32 9  15 o 15.1722  0.120903  230.312      3.66871  229.327      5.43353  231.137      4.97362  15.135   0.179502  15.1961  0.163648  
1 1 1 32 9  16 o 5.14666  0.0835324 26.4959      0.859825 25.0785      1.21755  27.9061      1.21441  5.00626  0.121602  5.28113  0.114977  
1 1 1 32 9  17 o 11.2007  0.0974528 125.515      2.18308  123.891      2.97265  127.416      3.21643  11.1257  0.133594  11.2822  0.142544  
1 1 1 32 9  18 o 4.58451  0.0908872 21.0276      0.833347 20.6577      1.1196   21.4872      1.24787  4.54311  0.123219  4.63304  0.134671  
1 1 1 32 9  19 o 10.6805  0.0954357 114.143      2.03861  115.511      2.81934  112.644      2.95125  10.7414  0.131237  10.6065  0.139124  
1 1 1 32 9  20 o 8.20512  0.082186  67.3599      1.34869  68.4101      1.91494  66.3261      1.89983  8.26663  0.115823  8.13968  0.116702  
1 1 1 32 9  21 o 7.71356  0.0794944 59.5369      1.22637  59.9167      1.72657  59.1502      1.74223  7.73577  0.111597  7.68598  0.113338  
1 1 1 32 9  22 o 1.92038  0.183276  3.70195      0.703918 3.36835      0.96424  4.08259      1.02999  1.82805  0.263734  2.01303  0.255831  
1 1 1 32 9  23 o 4.4131   0.0932118 19.4985      0.822706 19.3734      1.15039  19.6295      1.17703  4.39639  0.130834  4.42518  0.132992  
1 1 1 32 9  24 f 2.77175  0.134284  7.7041       0.744402 8.07491      1.04776  7.32615      1.0578   2.83405  0.184852  2.69857  0.195992  
1 1 1 32 9  25 o 2.04268  0.183302  4.19828      0.748856 4.04408      1.03146  4.37015      1.08896  1.99877  0.258023  2.07739  0.262099  
1 1 1 32 9  26 o 3.85474  0.110939  14.8971      0.855281 16.3534      1.16567  13.1987      1.25879  4.03525  0.144436  3.62171  0.173784  
1 1 1 32 9  27 o 6.96254  0.0899839 48.5725      1.25303  48.4758      1.76487  48.6707      1.77933  6.94885  0.12699   6.96264  0.127777  
1 1 1 32 9  28 o 0.538873 0.258436  -1.10912     0.798798 -1.36142     1.08781  -0.813878    1.17676  0.642236 0.306455  0.745925 0.342756  
1 1 1 32 9  29 o 2.7401   0.154211  7.56707      0.845106 6.89383      1.20398  8.22093      1.18653  2.60245  0.231317  2.84663  0.208409  
1 1 1 32 9  30 o 0.59678  0.280559  -0.901746    0.867062 -1.82298     1.2102   0.0699124    1.24288  0.642931 0.310637  0.903915 0.386583  
1 1 1 32 9  31 o 1.40418  0.317625  2.12713      0.871244 2.07308      1.18368  2.19102      1.28705  1.37871  0.403683  1.41575  0.42265   
1 1 1 32 9  32 o 0.851762 0.332242  0.516481     0.816918 1.48196      1.175    -0.386838    1.13655  1.19694  0.408659  0.781373 0.350413  
1 1 1 32 9  33 o 2.24747  0.198474  5.16615      0.892132 4.53243      1.25383  5.81595      1.26965  2.07475  0.302164  2.3627   0.268686  
1 1 1 32 9  34 o 4.23744  0.119651  18.1227      1.01403  18.9185      1.44975  17.3603      1.41885  4.30993  0.168187  4.12696  0.1719    
1 1 1 32 9  35 o 1.71402  0.267229  3.09591      0.916073 4.55857      1.27637  1.54204      1.31556  2.062    0.309498  1.20301  0.430398  
1 1 1 32 9  36 o 2.78143  0.17817   7.95076      0.991135 7.78811      1.35561  8.13757      1.45279  2.7182   0.249358  2.77105  0.262137  
1 1 1 32 9  37 o 2.82994  0.178246  8.27795      1.00885  10.0904      1.37834  6.1866       1.4806   3.09655  0.22256   2.36805  0.312621  
1 1 1 32 9  38 o 2.20839  0.222708  5.18067      0.983651 6.26879      1.42017  4.17731      1.36373  2.37361  0.299159  1.86129  0.379489  
1 1 1 32 9  39 o 2.19701  0.229711  5.22533      1.00935  4.03553      1.3966   6.52635      1.46042  1.77306  0.402889  2.3853   0.306129  
1 1 1 32 9  40 o 0.973671 0.368273  1.1317       0.98295  0.972147     1.39129  1.29072      1.38891  0.978669 0.413388  1.03716  0.423151  
1 1 1 32 9  41 o 0.771077 0.343757  0.275982     1.07951  1.00092      1.50352  -0.495358    1.55089  0.941728 0.414045  0.771131 0.367443  
1 1 1 32 9  42 o 0.893784 0.374436  1.08345      1.12599  1.27087      1.59578  0.897619     1.58902  0.939201 0.418352  0.89115  0.405459  
1 1 1 32 9  43 f 1.06459  0.409799  2.25979      1.2343   1.70869      1.73647  2.82259      1.75482  0.910555 0.417549  1.05051  0.454515  
1 1 1 32 10 0  o 16.6816  0.163662  278.42       5.45909  278.42       5.45909  278.42       5.45909  16.6837  0.115699  ?        ?         
1 1 1 32 10 1  o 5.14019  0.0576975 26.423       0.593152 27.1369      0.851092 25.7488      0.82711  5.20901  0.0816942 5.07403  0.0815042 
1 1 1 32 10 2  o 25.0479  0.172545  627.723      8.64378  630.59       12.4213  625.031      12.0361  25.098   0.247457  24.9878  0.240839  
1 1 1 32 10 3  o 16.8271  0.119645  283.222      4.02656  281.827      5.6751   284.637      5.71394  16.7834  0.169069  16.8668  0.169384  
1 1 1 32 10 4  o 11.2568  0.0867497 126.732      1.95304  127.633      2.93112  126.013      2.61917  11.2957  0.129745  11.2241  0.116676  
1 1 1 32 10 5  o 26.1189  0.181842  682.634      9.49902  676.62       13.3261  688.846      13.5438  25.9953  0.256317  26.2289  0.258185  
1 1 1 32 10 6  o 9.56757  0.0758796 91.549       1.45197  89.5508      2.11756  93.3221      1.99473  9.46193  0.111899  9.65929  0.103254  
1 1 1 32 10 7  o 13.0548  0.101043  170.463      2.63819  170.051      3.71263  170.883      3.74957  13.0376  0.142381  13.0694  0.143448  
1 1 1 32 10 8  o 15.4891  0.109662  239.973      3.39711  235.125      4.72834  245.144      4.88393  15.3299  0.154219  15.653   0.156006  
1 1 1 32 10 9  o 25.4271  0.176031  646.973      8.9519   641.631      12.4432  652.703      12.8883  25.3137  0.24578   25.5303  0.252412  
1 1 1 32 10 10 o 7.38642  0.0717473 54.5656      1.05991  55.6204      1.50856  53.5373      1.4895   7.45703  0.10115   7.31605  0.101797  
1 1 1 32 10 11 o 9.30524  0.0826943 86.6021      1.53898  85.5683      2.28593  87.4591      2.08132  9.24857  0.123583  9.35053  0.111295  
1 1 1 32 10 12 o 3.6456   0.0886875 13.2931      0.646638 13.0864      0.913293 13.5009      0.915679 3.61674  0.126259  3.6736   0.12463   
1 1 1 32 10 13 o 0.90708  0.292991  0.799528     0.604563 1.93853      0.870428 -0.262069    0.84033  1.36292  0.323705  0.698299 0.308101  
1 1 1 32 10 14 f 13.0179  0.113222  169.536      2.94782  167.373      4.24828  171.543      4.09371  12.9317  0.164259  13.0923  0.15634   
1 1 1 32 10 15 o 2.7344   0.131074  7.48185      0.716818 7.40171      1.06802  7.54754      0.966963 2.71859  0.196429  2.74564  0.176091  
1 1 1 32 10 16 o 2.4757   0.142225  6.13474      0.704212 5.95769      0.978934 6.32463      1.01379  2.43857  0.200719  2.51252  0.201748  
1 1 1 32 10 17 o 0.71381  0.296     0.121946     0.692584 0.11688      0.959365 0.12746      1.00087  0.82768  0.346115  0.846491 0.353722  
1 1 1 32 10 18 o 7.80136  0.0847589 60.8876      1.32247  60.0313      1.83211  61.8192      1.91089  7.74469  0.118282  7.85899  0.121573  
1 1 1 32 10 19 o 8.90439  0.0861715 79.3297      1.53461  80.4079      2.16766  78.2463      2.17288  8.96235  0.120931  8.84092  0.122888  
1 1 1 32 10 20 o 2.21157  0.155251  4.9012       0.686698 4.68253      0.974067 5.11725      0.968234 2.15917  0.225565  2.25765  0.214434  
1 1 1 32 10 21 o 6.71179  0.0801993 45.0788      1.07656  45.6983      1.51261  44.4429      1.53256  6.75559  0.111953  6.66191  0.115024  
1 1 1 32 10 22 o 8.46965  0.0845361 71.7969      1.43198  71.9564      1.99389  71.6271      2.05788  8.4756   0.117625  8.45569  0.121686  
1 1 1 32 10 23 o 4.33666  0.0936103 18.83        0.811911 18.4586      1.12693  19.2308      1.17075  4.29107  0.131311  4.37972  0.133656  
1 1 1 32 10 24 o 2.10653  0.170874  4.45873      0.719902 4.40879      0.994986 4.51359      1.04289  2.08993  0.238043  2.1139   0.246675  
1 1 1 32 10 25 o 4.91408  0.094119  24.1894      0.925017 24.8539      1.26676  23.4304      1.35393  4.97761  0.127246  4.83136  0.140118  
1 1 1 32 10 26 o 5.24453  0.0940277 27.5575      0.986262 28.385       1.37625  26.6839      1.41409  5.31823  0.12939   5.15527  0.13715   
1 1 1 32 10 27 o 4.69124  0.104178  22.0693      0.977449 20.6007      1.30985  23.9148      1.46832  4.52667  0.144682  4.87612  0.150563  
1 1 1 32 10 28 o 1.47105  0.282441  2.2847       0.80132  3.27802      1.12677  1.26824      1.13982  1.75535  0.333016  1.15133  0.401725  
1 1 1 32 10 29 o 1.7564   0.238521  3.14579      0.837874 2.52457      1.2356   3.67462      1.14003  1.51908  0.400828  1.88706  0.302064  
1 1 1 32 10 30 o 2.99902  0.151976  9.07063      0.911556 9.44831      1.28136  8.68364      1.29706  3.04893  0.210132  2.92019  0.222084  
1 1 1 32 10 31 o 3.929    0.127753  15.5406      1.00388  13.9132      1.3604   17.4864      1.48751  3.70417  0.18363   4.15409  0.179042  
1 1 1 32 10 32 o 1.79859  0.23528   3.32615      0.846346 2.78574      1.18172  3.89528      1.21271  1.58299  0.377937  1.92555  0.314901  
1 1 1 32 10 33 o 1.34823  0.322647  2.00046      0.859679 0.383739     1.21564  3.61788      1.2159   0.938286 0.390809  1.8137   0.347598  
1 1 1 32 10 34 o 0.646387 0.294886  -0.469412    0.85291  0.918487     1.20485  -1.86352     1.20755  1.04258  0.404142  0.628337 0.305049  
1 1 1 32 10 35 o 0.682858 0.309125  -0.36562     0.904929 -1.73293     1.22806  1.25893      1.3386   0.644422 0.311626  1.13747  0.4299    
1 1 1 32 10 36 o 1.40854  0.328421  2.24581      0.909027 2.92254      1.26248  1.51723      1.30995  1.57343  0.400148  1.18308  0.428858  
1 1 1 32 10 37 o 2.16588  0.235424  4.98196      1.0198   6.13599      1.42749  3.77908      1.4574   2.35865  0.302608  1.74869  0.421118  
1 1 1 32 10 38 o 1.18006  0.357416  1.67158      0.915954 3.26182      1.2825   0.0159454    1.3086   1.61856  0.398353  0.851656 0.379114  
1 1 1 32 10 39 o 1.01438  0.363726  1.223        0.940018 1.20977      1.31664  1.23676      1.3425   1.03806  0.416461  1.0459   0.420146  
1 1 1 32 10 40 o 0.756032 0.333643  0.15837      0.986133 -1.36716     1.38834  1.71174      1.40095  0.683005 0.330466  1.11765  0.435265  
1 1 1 32 10 41 o 1.05183  0.394425  1.64705      1.1214   0.958178     1.61408  2.28984      1.55915  0.933382 0.41811   1.14916  0.455966  
1 1 1 32 10 42 o 0.652275 0.312352  -0.480669    1.15589  0.79256      1.58967  -1.90905     1.68374  0.85326  0.394547  0.654652 0.325796  
1 1 1 32 10 43 o 0.652878 0.314415  -0.42148     1.21328  -0.0646376   1.72299  -0.772461    1.70878  0.753136 0.365244  0.703225 0.346384  
1 1 1 32 11 0  o 1.88848  0.159574  3.64301      0.592805 3.64301      0.592805 3.64301      0.592805 1.89884  0.111251  ?        ?         
1 1 1 32 11 1  o 5.22684  0.0578023 27.3215      0.604246 27.1644      0.855693 27.4778      0.853378 5.21162  0.0820947 5.2416   0.0814043 
1 1 1 32 11 2  o 5.4233   0.0589204 29.4141      0.639086 28.06        0.873452 30.9742      0.937557 5.29683  0.0824505 5.56507  0.0842358 
1 1 1 32 11 3  o 14.7577  0.105039  217.836      3.10026  217.481      4.33255  218.208      4.43823  14.7441  0.146925  14.7686  0.150259  
1 1 1 32 11 4  o 9.84626  0.0779892 96.9606      1.5358   96.5612      2.25371  97.3069      2.0985   9.82526  0.114689  9.86331  0.106379  
1 1 1 32 11 5  o 12.0748  0.0921646 145.825      2.22573  142.542      3.09114  149.36       3.2074   11.937   0.129477  12.2192  0.131245  
1 1 1 32 11 6  o 3.65068  0.074312  13.329       0.542579 12.8302      0.722521 13.9741      0.821645 3.58154  0.100867  3.73772  0.109913  
1 1 1 32 11 7  o 14.6603  0.106601  214.977      3.12563  215.466      4.43407  214.495      4.40666  14.6752  0.151074  14.6421  0.150479  
1 1 1 32 11 8  o 12.1859  0.0899899 148.522      2.19321  144.324      3.03528  153.108      3.17261  12.0114  0.12635   12.3715  0.128223  
1 1 1 32 11 9  o 32.8289  0.228217  1079         14.9842  1072.98      21.5804  1084.6       20.8217  32.716   0.329814  32.8959  0.316479  
1 1 1 32 11 10 o 11.2899  0.092724  127.489      2.09369  128.211      3.08064  126.868      2.85417  11.3205  0.136065  11.2614  0.126724  
1 1 1 32 11 11 o 16.5278  0.118893  273.27       3.9301   269.676      5.57128  276.829      5.54481  16.4156  0.169694  16.6321  0.16669   
1 1 1 32 11 12 o 14.949   0.110731  223.549      3.31064  224.279      4.83813  222.907      4.53998  14.9704  0.16159   14.9252  0.152091  
1 1 1 32 11 13 o 15.9957  0.121152  255.98       3.87582  253.985      5.53091  257.904      5.43288  15.9295  0.173606  16.0523  0.169225  
1 1 1 32 11 14 o 3.70406  0.102128  13.7251      0.756578 13.1404      1.06951  14.3108      1.07042  3.62357  0.147577  3.78161  0.141529  
1 1 1 32 11 15 o 9.08522  0.0869188 82.5678      1.57935  80.405       2.10577  85.3486      2.3878   8.96422  0.117454  9.23511  0.129279  
1 1 1 32 11 16 o 7.2413   0.082596  52.454       1.1962   54.0268      1.58125  50.3495      1.82906  7.3482   0.107594  7.09284  0.128937  
1 1 1 32 11 17 o 7.70095  0.0844766 59.3285      1.3011   58.0258      1.80469  60.7384      1.87753  7.61446  0.118504  7.7903   0.120504  
1 1 1 32 11 18 o 6.44178  0.0794187 41.5135      1.0232   41.3064      1.44654  41.7208      1.44749  6.42434  0.112583  6.45651  0.112096  
1 1 1 32 11 19 o 2.98499  0.116221  8.91932      0.693838 9.7047       0.96017  8.06104      1.00375  3.11239  0.15425   2.83578  0.17698   
1 1 1 32 11 20 o 3.60158  0.101023  12.984       0.727688 15.165       1.04952  10.9648      1.00984  3.89087  0.134869  3.30767  0.152652  
1 1 1 32 11 21 o 2.57839  0.13792   6.66207      0.711221 6.05146      0.959398 7.40703      1.0597   2.45479  0.195413  2.71587  0.195094  
1 1 1 32 11 22 o 3.78841  0.0983196 14.37        0.74495  13.977       1.02849  14.8037      1.08046  3.734    0.13772   3.84265  0.140588  
1 1 1 32 11 23 o 2.04223  0.169326  4.18843      0.691605 3.40093      0.938488 5.12439      1.02314  1.83521  0.25569   2.25505  0.226855  
1 1 1 32 11 24 o 3.58844  0.111181  12.9047      0.797936 12.5214      1.10667  13.3197      1.15157  3.53095  0.15671   3.64164  0.158111  
1 1 1 32 11 25 o 1.02249  0.317951  1.06386      0.718474 0.530144     0.963914 1.73107      1.07774  0.918421 0.360353  1.28862  0.387178  
1 1 1 32 11 26 o 2.95816  0.131692  8.78515      0.779131 9.36815      1.08511  8.16471      1.1194   3.04984  0.177896  2.84497  0.196734  
1 1 1 32 11 27 o 2.13297  0.187442  4.5934       0.799616 3.02302      1.04584  6.80312      1.2406   1.68928  0.321143  2.58816  0.239668  
1 1 1 32 11 28 o 2.53106  0.158234  6.45593      0.800997 6.86904      1.12045  6.02411      1.14553  2.6022   0.215288  2.43353  0.235364  
1 1 1 32 11 29 o 3.02493  0.152786  9.22736      0.924337 8.42475      1.39043  9.86296      1.23734  2.87216  0.242054  3.11833  0.198397  
1 1 1 32 11 30 o 1.14783  0.338315  1.40231      0.828719 2.15803      1.2085   0.731498     1.1386   1.40604  0.406677  1.00631  0.392297  
1 1 1 32 11 31 o 1.34107  0.324472  1.95553      0.862098 1.75576      1.17474  2.18868      1.2691   1.27901  0.407947  1.40891  0.419508  
1 1 1 32 11 32 o 1.47125  0.289434  2.3301       0.821316 2.68723      1.19293  2.00826      1.13246  1.54934  0.385959  1.34494  0.395189  
1 1 1 32 11 33 o 1.63882  0.267387  2.80196      0.876396 2.74007      1.24681  2.86241      1.23214  1.55278  0.399302  1.59039  0.389859  
1 1 1 32 11 34 f 3.61297  0.135965  13.2247      0.982477 12.1734      1.35921  14.375       1.42177  3.44186  0.197453  3.74396  0.189875  
1 1 1 32 11 35 o 2.08205  0.225902  4.50476      0.940676 3.88688      1.29408  5.19704      1.36977  1.85654  0.361418  2.19919  0.311427  
1 1 1 32 11 36 o 1.61593  0.299585  2.88973      0.931878 3.3991       1.2977   2.34741      1.33902  1.70453  0.389079  1.39917  0.433853  
1 1 1 32 11 37 o 0.666072 0.306874  -0.501656    0.950384 0.849427     1.33502  -1.88992     1.35326  1.01119  0.41409   0.660433 0.321351  
1 1 1 32 11 38 o 0.792527 0.334216  0.322235     0.906961 -0.314635    1.25028  1.02957      1.31764  0.785548 0.358011  1.02746  0.414786  
1 1 1 32 11 39 o 1.08813  0.373009  1.49487      0.978982 2.49336      1.33753  0.342699     1.43677  1.33443  0.436007  0.897053 0.398414  
1 1 1 32 11 40 o 0.606216 0.289574  -0.825222    0.977899 -2.84675     1.35766  1.35431      1.40972  0.568147 0.284074  1.0332   0.424714  
1 1 1 32 11 41 o 0.90673  0.382057  1.02159      1.18357  1.7733       1.7426   0.377865     1.61259  1.0425   0.452015  0.857984 0.396979  
1 1 1 32 11 42 o 0.648805 0.310724  -0.418651    1.14468  -1.60727     1.56803  0.937472     1.67488  0.642143 0.318853  0.856649 0.399503  
1 1 1 32 11 43 o 0.823539 0.364266  1.04939      1.18461  -0.204214    1.66314  2.34032      1.68772  0.724332 0.353183  0.977574 0.433289  
1 1 1 32 12 0  o 31.9438  0.300296  1021.6       19.1813  1021.6       19.1813  1021.6       19.1813  31.9531  0.212258  ?        ?         
1 1 1 32 12 1  o 6.37968  0.0599372 40.7032      0.76476  40.4956      1.07697  40.9145      1.08615  6.36315  0.0846257 6.39598  0.0849092 
1 1 1 32 12 2  o 17.9887  0.121857  323.689      4.38409  321.453      6.16202  325.982      6.23878  17.9237  0.171896  18.0495  0.172824  
1 1 1 32 12 3  o 10.1736  0.0770086 103.516      1.56692  103.078      2.21365  103.955      2.21826  10.1515  0.109031  10.1946  0.108796  
1 1 1 32 12 4  o 2.59129  0.0846738 6.71578      0.438829 6.44039      0.557265 7.16531      0.711974 2.53747  0.109807  2.67632  0.133014  
1 1 1 32 12 5  o 8.12189  0.0699085 65.9719      1.13558  64.5586      1.59916  67.4096      1.61284  8.034    0.0995243 8.2095   0.0982299 
1 1 1 32 12 6  o 27.0351  0.182454  731.413      9.86531  725.442      14.0089  737.287      13.8951  26.9145  0.260248  27.134   0.256046  
1 1 1 32 12 7  o 8.04626  0.0700819 64.7492      1.12779  63.6938      1.59934  65.793       1.59058  7.97996  0.10021   8.11043  0.0980574 
1 1 1 32 12 8  o 27.2431  0.188088  742.779      10.2482  748.431      14.7737  737.536      14.2279  27.3348  0.270236  27.1364  0.262156  
1 1 1 32 12 9  o 9.60762  0.0797598 92.3204      1.5326   95.2853      2.24572  89.7356      2.09679  9.75986  0.115049  9.47149  0.11069   
1 1 1 32 12 10 o 5.06424  0.0749391 25.6502      0.759018 27.6748      1.14335  24.0549      1.01492  5.25988  0.108686  4.9039   0.103481  
1 1 1 32 12 11 o 9.06534  0.0791104 82.1946      1.43432  81.7451      2.10992  82.5807      1.95573  9.03959  0.116704  9.08593  0.107624  
1 1 1 32 12 12 o 17.5921  0.124534  309.626      4.38163  308.655      6.19959  310.595      6.19353  17.5603  0.176522  17.6155  0.175798  
1 1 1 32 12 13 o 20.513   0.153448  421.112      6.29536  428.212      9.26447  415.022      8.58077  20.676   0.22404   20.357   0.210757  
1 1 1 32 12 14 o 10.601   0.0913411 112.418      1.93661  110.375      2.66292  114.712      2.82152  10.5026  0.126774  10.7067  0.131765  
1 1 1 32 12 15 o 7.54956  0.0804564 57.0128      1.21482  55.8862      1.67204  58.2725      1.76801  7.47353  0.111864  7.63126  0.11584   
1 1 1 32 12 16 o 11.3576  0.0906105 129.052      2.05824  125.159      2.8413   133.35       2.98564  11.1827  0.12704   11.5426  0.129331  
1 1 1 32 12 17 o 6.51546  0.0810731 42.468       1.05646  42.431       1.47551  42.507       1.51332  6.51138  0.113302  6.51708  0.116104  
1 1 1 32 12 18 o 6.42695  0.0814727 41.3248      1.04724  41.2345      1.45089  41.4229      1.51312  6.41853  0.113024  6.43293  0.117607  
1 1 1 32 12 19 o 3.99915  0.093758  16.0049      0.749905 15.1367      1.03326  16.9712      1.09008  3.88772  0.132887  4.11659  0.1324    
1 1 1 32 12 20 o 6.20248  0.0844077 38.4993      1.04707  38.3385      1.46032  38.6694      1.50213  6.18737  0.118008  6.21379  0.120871  
1 1 1 32 12 21 o 4.64711  0.0888839 21.6154      0.826106 22.8692      1.14783  20.2682      1.18988  4.77815  0.120113  4.49743  0.132285  
1 1 1 32 12 22 o 4.36745  0.0888752 19.0954      0.776317 19.2044      1.07384  18.9761      1.1236   4.37774  0.122648  4.35116  0.129116  
1 1 1 32 12 23 o 5.30764  0.0871864 28.2045      0.925507 27.8142      1.27231  28.6431      1.34877  5.26786  0.120761  5.34521  0.126166  
1 1 1 32 12 24 o 7.67688  0.0845067 59.0118      1.2975   59.4742      1.80383  58.516       1.86771  7.70223  0.117098  7.63907  0.122247  
1 1 1 32 12 25 o 4.27658  0.100181  18.3272      0.856868 18.3343      1.14256  18.318       1.29535  4.274    0.133664  4.26985  0.151686  
1 1 1 32 12 26 o 5.68831  0.0915893 32.422       1.04198  33.4604      1.44688  31.3031      1.50181  5.77364  0.1253    5.58283  0.134503  
1 1 1 32 12 27 o 4.06549  0.110349  16.5855      0.897247 15.8224      1.20625  17.5305      1.34244  3.96481  0.15212   4.17173  0.160898  
1 1 1 32 12 28 o 0.652902 0.288469  -0.202939    0.740118 0.432993     1.01756  -0.917269    1.07846  0.90503  0.36486   0.690179 0.321368  
1 1 1 32 12 29 o 3.25915  0.147891  10.7054      0.963995 10.0227      1.41243  11.3007      1.31896  3.13723  0.225107  3.33816  0.197557  
1 1 1 32 12 30 o 1.90725  0.218979  3.70686      0.835292 4.62775      1.2573   2.97928      1.11757  2.11431  0.297331  1.65809  0.348091  
1 1 1 32 12 31 o 2.26891  0.193981  5.24421      0.880248 4.79885      1.20553  5.75283      1.2883   2.14934  0.280443  2.35546  0.273472  
1 1 1 32 12 32 o 0.923922 0.343049  0.749844     0.844137 0.543976     1.24586  0.924568     1.14775  0.980127 0.400471  1.04076  0.396685  
1 1 1 32 12 33 o 2.45722  0.179396  6.159        0.881632 4.90444      1.24103  7.43722      1.25268  2.15912  0.287394  2.68142  0.233585  
1 1 1 32 12 34 f 0.863055 0.342014  0.53357      0.87621  0.302543     1.23661  0.766505     1.2417   0.917679 0.388782  1.01169  0.405035  
1 1 1 32 12 35 o 3.23121  0.153368  10.6369      0.991128 9.46308      1.34707  12.0224      1.46349  3.01673  0.223266  3.4051   0.214897  
1 1 1 32 12 36 o 1.77399  0.268358  3.36496      0.95213  2.65545      1.29753  4.19273      1.4015   1.48164  0.419111  1.89512  0.383165  
1 1 1 32 12 37 o 0.792609 0.337199  0.252642     0.936863 -0.609109    1.3224   1.121        1.32746  0.776715 0.35942   1.06132  0.420848  
1 1 1 32 12 38 o 1.29271  0.346019  2.02751      0.912566 3.09149      1.28357  0.940016     1.29768  1.55346  0.407906  1.00036  0.408723  
1 1 1 32 12 39 o 1.33102  0.355444  2.2591       0.964358 2.02638      1.29945  2.54441      1.43878  1.20852  0.428215  1.32309  0.452209  
1 1 1 32 12 40 o 1.48265  0.357586  2.91057      1.04961  2.09423      1.44425  3.8244       1.52805  1.16456  0.44466   1.56919  0.458405  
1 1 1 32 12 41 o 0.926568 0.384618  1.14099      1.17123  0.288355     1.68628  1.93569      1.62799  0.852982 0.398981  1.06608  0.448587  
1 1 1 32 12 42 o 0.693209 0.326645  -0.0287108   1.18856  0.178946     1.61602  -0.273403    1.75422  0.769233 0.368592  0.747756 0.364266  
1 1 1 32 12 43 o 1.07332  0.415355  2.55657      1.27151  4.46983      1.89302  0.983824     1.71632  1.19025  0.491202  0.798562 0.381973  
1 1 1 32 13 0  o 13.5223  0.133563  182.939      3.61135  182.939      3.61135  182.939      3.61135  13.5239  0.0944213 ?        ?         
1 1 1 32 13 1  o 4.19449  0.0648708 17.5953      0.544201 16.9513      0.75289  18.2999      0.787509 4.11684  0.0914402 4.27746  0.0920534 
1 1 1 32 13 2  o 30.8448  0.207378  952.258      12.7931  947.979      17.8316  956.795      18.3645  30.7622  0.289829  30.9036  0.297126  
1 1 1 32 13 3  o 4.46114  0.0714467 19.9039      0.637468 20.1521      0.861458 19.6036      0.947737 4.48867  0.0959591 4.42706  0.107039  
1 1 1 32 13 4  o 9.1698   0.0727265 84.0946      1.33377  84.8374      1.89397  83.3638      1.87861  9.20968  0.102825  9.12935  0.102888  
1 1 1 32 13 5  o 17.1823  0.122433  295.327      4.20736  292.424      5.90073  298.329      6.00074  17.0949  0.172587  17.2666  0.173768  
1 1 1 32 13 6  o 23.9649  0.176418  574.708      8.45566  577.503      12.3332  572.228      11.6152  24.0138  0.256794  23.9057  0.242939  
1 1 1 32 13 7  o 14.8024  0.116358  219.179      3.44475  220.3        5.02545  218.184      4.7311   14.8376  0.169348  14.7667  0.160195  
1 1 1 32 13 8  o 15.4078  0.112267  237.472      3.45958  234.721      4.86242  240.293      4.9233   15.3159  0.158737  15.4967  0.15885   
1 1 1 32 13 9  o 12.888   0.0995606 166.143      2.56628  168.56       3.79768  164.113      3.48145  12.9795  0.146295  12.8076  0.135913  
1 1 1 32 13 10 o 5.26617  0.0763982 27.737       0.804653 28.505       1.22836  27.1597      1.06495  5.33804  0.115057  5.21075  0.102188  
1 1 1 32 13 11 o 7.64248  0.07412   58.4169      1.13292  58.5306      1.67362  58.3208      1.53919  7.64917  0.109399  7.63566  0.10079   
1 1 1 32 13 12 o 4.08348  0.0877963 16.6789      0.717028 16.0421      1.00207  17.347       1.02643  4.00426  0.125126  4.16395  0.123252  
1 1 1 32 13 13 o 10.8491  0.090592  117.739      1.96568  120.654      2.84997  115.094      2.71475  10.9808  0.12977   10.725   0.126562  
1 1 1 32 13 14 o 2.24706  0.14621   5.05404      0.657086 4.52258      0.938591 5.56488      0.920201 2.12433  0.220915  2.357    0.195206  
1 1 1 32 13 15 o 8.91234  0.0811151 79.4558      1.44585  80.0456      1.98344  78.787       2.1121   8.94408  0.11088   8.87307  0.119017  
1 1 1 32 13 16 o 6.22666  0.0797168 38.7852      0.992739 40.9183      1.38579  36.5366      1.42283  6.39462  0.108356  6.04218  0.117742  
1 1 1 32 13 17 o 5.44505  0.0809769 29.6611      0.881848 29.29        1.24441  30.0355      1.24985  5.40968  0.115017  5.47814  0.114076  
1 1 1 32 13 18 o 8.88322  0.0889708 78.9586      1.5807   78.8174      2.28851  79.0875      2.1859   8.8723   0.128969  8.888    0.122969  
1 1 1 32 13 19 o 5.62475  0.083651  31.6582      0.941032 33.1461      1.36793  30.3215      1.29658  5.75351  0.118878  5.50297  0.117807  
1 1 1 32 13 20 f 8.11122  0.0851176 65.8437      1.38082  67.9976      1.94091  63.6364      1.96485  8.23987  0.117776  7.97067  0.123255  
1 1 1 32 13 21 o 2.50822  0.132511  6.30496      0.664734 5.81457      0.917575 6.84659      0.964318 2.40588  0.190694  2.61104  0.184662  
1 1 1 32 13 22 o 2.21974  0.1504    4.94333      0.667698 5.31381      0.916908 4.52506      0.974231 2.29855  0.199454  2.11911  0.229867  
1 1 1 32 13 23 o 3.26541  0.11389   10.6859      0.743793 11.3819      1.03696  9.94836      1.06747  3.36701  0.153988  3.14651  0.169627  
1 1 1 32 13 24 o 0.647291 0.280218  -0.0798133   0.667725 0.0115076    0.909535 -0.186568    0.983395 0.77795  0.331642  0.769807 0.336676  
1 1 1 32 13 25 o 4.95767  0.0950979 24.6264      0.942928 25.5756      1.29679  23.5616      1.37352  5.04832  0.128438  4.84361  0.141786  
1 1 1 32 13 26 o 2.54679  0.153383  6.52514      0.781269 6.05832      1.04903  7.10654      1.17072  2.4471   0.214342  2.6494   0.22094   
1 1 1 32 13 27 o 3.02413  0.132879  9.19309      0.803688 8.66143      1.08071  9.85094      1.20213  2.92841  0.184522  3.12166  0.192547  
1 1 1 32 13 28 o 3.54142  0.122173  12.6053      0.865329 13.5762      1.24895  11.7089      1.20003  3.66637  0.170326  3.40371  0.176283  
1 1 1 32 13 29 o 1.5371   0.284082  2.50273      0.840472 2.20848      1.19     2.7956       1.18722  1.4233   0.400971  1.60111  0.376628  
1 1 1 32 13 30 o 0.905861 0.333627  0.704648     0.795507 1.05911      1.1899   0.418181     1.0697   1.09707  0.4073    0.913384 0.371789  
1 1 1 32 13 31 o 2.94354  0.155473  8.77004      0.915281 9.22744      1.27877  8.28957      1.31062  3.00363  0.212871  2.84139  0.23063   
1 1 1 32 13 32 o 2.26149  0.201781  5.2349       0.912649 4.39764      1.29988  6.04887      1.28167  2.03773  0.318953  2.41048  0.265855  
1 1 1 32 13 33 o 4.54465  0.114587  20.8296      1.04152  21.8807      1.50336  19.8594      1.44427  4.63813  0.162065  4.41807  0.16345   
1 1 1 32 13 34 o 2.03428  0.227552  4.29948      0.925808 4.95112      1.29777  3.62419      1.32112  2.15282  0.301412  1.78088  0.381946  
1 1 1 32 13 35 o 1.97934  0.230604  4.09646      0.912886 5.00138      1.27707  3.15091      1.30543  2.15704  0.296024  1.63665  0.401338  
1 1 1 32 13 36 o 1.07288  0.372043  1.27455      0.976325 0.998839     1.35386  1.57329      1.40927  1.05693  0.423023  1.1888   0.442878  
1 1 1 32 13 37 o 1.18313  0.356529  1.66788      0.912965 2.94307      1.29168  0.394853     1.29058  1.53137  0.412464  0.912197 0.392152  
1 1 1 32 13 38 o 1.16905  0.361235  1.68911      0.929375 1.80263      1.27504  1.56042      1.3575   1.18634  0.423789  1.12961  0.431161  
1 1 1 32 13 39 o 1.02846  0.367303  1.32326      0.957748 1.25236      1.29311  1.40941      1.42546  1.02644  0.412339  1.0658   0.430945  
1 1 1 32 13 40 o 1.22738  0.39491   2.1921       1.0991   1.81182      1.60901  2.52478      1.50493  1.08542  0.450697  1.23465  0.458119  
1 1 1 32 13 41 o 1.129    0.409408  2.06181      1.19392  2.75777      1.6733   1.34006      1.70403  1.19466  0.472884  0.968153 0.431748  
1 1 1 32 13 42 o 0.6719   0.319159  -0.117699    1.162    -0.709192    1.73292  0.365536     1.56633  0.706784 0.348126  0.770593 0.367709  
1 1 1 32 13 43 o 0.613489 0.300666  -0.470229    1.25048  -0.952506    1.78121  -0.00152962  1.75595  0.644132 0.322066  0.692015 0.342326  
1 1 1 32 14 0  o 0.707128 0.363528  0.736869     0.648648 0.736869     0.648648 0.736869     0.648648 0.717329 0.311461  ?        ?         
1 1 1 32 14 1  o 9.2668   0.0764478 85.8844      1.41685  84.6718      1.95931  87.2135      2.05132  9.20061  0.106477  9.33761  0.109842  
1 1 1 32 14 2  o 14.5866  0.101113  212.816      2.94979  213.966      4.19127  211.687      4.15226  14.6243  0.143298  14.5463  0.142726  
1 1 1 32 14 3  o 12.3747  0.0946271 153.163      2.34197  153.789      3.32656  152.548      3.2977   12.3987  0.134149  12.3486  0.133525  
1 1 1 32 14 4  o 4.03665  0.0674804 16.2962      0.54479  15.7507      0.7757   16.8272      0.765303 3.96829  0.0977372 4.1017   0.0932909 
1 1 1 32 14 5  o 14.0485  0.110756  197.413      3.11192  198.599      4.43373  196.262      4.36882  14.0886  0.157352  14.0055  0.155967  
1 1 1 32 14 6  o 8.37053  0.0770038 70.0755      1.28913  69.387       1.83001  70.7537      1.81626  8.32871  0.109862  8.41037  0.107978  
1 1 1 32 14 7  o 23.5883  0.173949  556.817      8.20632  554.28       11.5745  559.381      11.6367  23.5257  0.245997  23.6337  0.246188  
1 1 1 32 14 8  o 14.3891  0.111585  207.112      3.21121  206.397      4.54768  207.823      4.53501  14.3619  0.158325  14.4114  0.157341  
1 1 1 32 14 9  o 9.83191  0.082701  96.6845      1.62622  96.1349      2.35822  97.1829      2.24555  9.8029   0.120282  9.85638  0.113914  
1 1 1 32 14 10 o 23.171   0.161446  537.301      7.48172  538.598      10.7254  536.071      10.4418  23.1896  0.231254  23.136   0.225662  
1 1 1 32 14 11 o 4.03996  0.0854002 16.325       0.690026 15.9975      0.973619 16.6555      0.978085 3.99875  0.12174   4.08019  0.119858  
1 1 1 32 14 12 o 10.255   0.0886798 105.195      1.81883  103.802      2.63029  106.472      2.51782  10.1853  0.129122  10.3158  0.122038  
1 1 1 32 14 13 o 10.1373  0.0873476 102.797      1.77093  101.555      2.54536  103.961      2.46549  10.0741  0.126332  10.193   0.12094   
1 1 1 32 14 14 o 6.10962  0.078527  37.3384      0.959539 36.4237      1.33833  38.3059      1.37646  6.03343  0.11091   6.18734  0.111232  
1 1 1 32 14 15 o 7.6591   0.0785194 58.6814      1.20278  57.8912      1.66663  59.5403      1.73756  7.60617  0.109557  7.71361  0.112629  
1 1 1 32 14 16 o 6.10979  0.0803024 37.3442      0.981262 37.9793      1.39763  36.7269      1.378    6.16031  0.113439  6.05787  0.113737  
1 1 1 32 14 17 o 5.89812  0.0772347 34.8023      0.911079 35.4855      1.27479  34.089       1.30257  5.95456  0.107044  5.83601  0.111598  
1 1 1 32 14 18 o 12.1701  0.103918  148.244      2.52938  143.201      3.45368  154.078      3.71473  11.9563  0.144429  12.4012  0.149773  
1 1 1 32 14 19 o 8.05582  0.0860777 64.9458      1.38685  64.6822      1.93723  65.2229      1.9863   8.03656  0.120526  8.06983  0.12307   
1 1 1 32 14 20 o 6.88675  0.0816167 47.4634      1.12415  47.4556      1.53876  47.4723      1.64625  6.88388  0.111765  6.88438  0.119564  
1 1 1 32 14 21 o 3.91573  0.0963167 15.3521      0.754301 16.0358      1.04249  14.6009      1.09277  3.9999   0.130314  3.81584  0.143189  
1 1 1 32 14 22 o 2.9855   0.11855   8.93215      0.707859 8.82055      0.980718 9.05352      1.02273  2.96374  0.165453  3.00225  0.170328  
1 1 1 32 14 23 o 1.32422  0.258565  1.83334      0.660368 2.16702      0.899376 1.44301      0.972734 1.43125  0.321996  1.18829  0.370048  
1 1 1 32 14 24 o 0.687201 0.286241  0.110248     0.652181 0.079316     0.898979 0.144614     0.947587 0.787939 0.332534  0.821671 0.343817  
1 1 1 32 14 25 o 4.40703  0.0969774 19.4636      0.854763 20.1486      1.19294  18.7408      1.22535  4.4797   0.13315   4.31919  0.141849  
1 1 1 32 14 26 o 4.72073  0.098239  22.3442      0.927519 21.6578      1.24132  23.2118      1.39561  4.64255  0.13369   4.80413  0.145252  
1 1 1 32 14 27 o 4.21766  0.104599  17.8486      0.882326 18.0072      1.19279  17.657       1.3112   4.23053  0.140974  4.18619  0.15661   
1 1 1 32 14 28 o 1.24206  0.317842  1.65899      0.792862 0.591028     1.12397  2.71677      1.1186   0.971929 0.386667  1.58198  0.361323  
1 1 1 32 14 29 o 2.43739  0.177961  6.0122       0.867519 5.32618      1.18638  6.80054      1.27178  2.27864  0.260326  2.5781   0.246651  
1 1 1 32 14 30 o 2.83464  0.147176  8.11009      0.834382 7.89496      1.21833  8.30012      1.14506  2.78104  0.219042  2.85624  0.20045   
1 1 1 32 14 31 o 0.797655 0.327941  0.278664     0.840621 0.68036      1.15033  -0.181682    1.23145  0.987945 0.391761  0.847469 0.373566  
1 1 1 32 14 32 o 2.97894  0.15456   8.99977      0.920847 9.20594      1.31329  8.80036      1.29153  2.99165  0.219493  2.92451  0.220811  
1 1 1 32 14 33 o 3.5626   0.1386    12.8573      0.987556 11.6329      1.41259  14.0279      1.38117  3.36075  0.210159  3.70198  0.186545  
1 1 1 32 14 34 o 0.600106 0.28235   -0.850507    0.881624 -1.89979     1.21735  0.306852     1.27851  0.626357 0.304776  0.928693 0.394468  
1 1 1 32 14 35 o 0.938671 0.349678  0.831549     0.878519 1.12105      1.2243   0.524256     1.26136  1.07624  0.409849  0.956351 0.398196  
1 1 1 32 14 36 o 1.08465  0.36665   1.33525      0.945846 0.623818     1.32063  2.08453      1.35531  0.970578 0.405992  1.30269  0.438894  
1 1 1 32 14 37 o 1.1385   0.351618  1.53971      0.880697 0.942279     1.20981  2.21321      1.28453  0.999344 0.399923  1.31934  0.427168  
1 1 1 32 14 38 o 1.4785   0.329429  2.63374      0.948879 3.39164      1.33322  1.85574      1.35078  1.60535  0.412957  1.18823  0.435022  
1 1 1 32 14 39 o 1.21301  0.36257   1.91651      0.946749 2.13998      1.29546  1.66033      1.38704  1.22793  0.428293  1.11019  0.432947  
1 1 1 32 14 40 o 0.882149 0.361398  0.911137     1.01731  1.24057      1.39844  0.540851     1.48263  0.970924 0.412485  0.873126 0.395447  
1 1 1 32 14 41 o 0.778924 0.34709   0.473525     1.09937  0.111173     1.6215   0.7818       1.49562  0.806298 0.380399  0.867598 0.394373  
1 1 1 32 14 42 f 0.784445 0.351151  0.76669      1.13675  1.12616      1.74401  0.501164     1.49889  0.849136 0.398819  0.777509 0.366499  
1 1 1 32 15 0  o 11.8499  0.13032   140.497      3.08771  140.497      3.08771  140.497      3.08771  11.8515  0.092125  ?        ?         
1 1 1 32 15 1  o 13.8934  0.099297  193.069      2.75915  192.268      3.97364  193.815      3.83415  13.8629  0.143319  13.9188  0.137732  
1 1 1 32 15 2  o 9.12527  0.0741261 83.2807      1.35284  83.7454      1.9478   82.8476      1.88039  9.15009  0.106436  9.10098  0.103307  
1 1 1 32 15 3  o 16.1311  0.113395  260.288      3.65836  259.982      5.28968  260.569      5.06503  16.119   0.164082  16.1376  0.156932  
1 1 1 32 15 4  o 13.4752  0.100334  181.624      2.70404  180.179      3.84693  183.035      3.80164  13.4199  0.14333   13.5259  0.140531  
1 1 1 32 15 5  o 14.8716  0.114919  221.233      3.41806  220.607      4.76614  221.897      4.90457  14.8483  0.160495  14.8913  0.164679  
1 1 1 32 15 6  o 7.49026  0.0797176 56.1128      1.19421  54.4023      1.72059  57.7027      1.65884  7.37454  0.116657  7.5951   0.109205  
1 1 1 32 15 7  o 6.14258  0.0761798 37.737       0.935881 37.1906      1.30407  38.3173      1.3439   6.0975   0.106935  6.18914  0.108569  
1 1 1 32 15 8  o 7.56927  0.0777796 57.3034      1.17747  57.2297      1.6761   57.3752      1.6545   7.56375  0.110798  7.57339  0.109231  
1 1 1 32 15 9  o 14.8897  0.118714  221.793      3.53523  223.064      5.0196   220.541      4.97978  14.9292  0.168114  14.8445  0.167731  
1 1 1 32 15 10 o 5.65556  0.0699284 31.9902      0.790968 33.9867      1.16491  30.2825      1.0774   5.8289   0.0999256 5.50213  0.0979078 
1 1 1 32 15 11 o 11.5633  0.0980498 133.754      2.26756  134.276      3.15223  133.195      3.26433  11.584   0.136059  11.537   0.141472  
1 1 1 32 15 12 o 3.93908  0.0868424 15.5211      0.684159 15.3926      0.979402 15.6435      0.956112 3.9221   0.124857  3.95402  0.120904  
1 1 1 32 15 13 o 4.4377   0.0898203 19.7005      0.797191 21.9164      1.12897  17.4969      1.12583  4.67992  0.120619  4.18118  0.134631  
1 1 1 32 15 14 o 15.465   0.116005  239.331      3.58803  241.273      5.0359   237.33       5.11346  15.5225  0.162213  15.3946  0.16608   
1 1 1 32 15 15 o 7.41696  0.0782926 55.0308      1.16139  56.7455      1.74541  53.6685      1.55579  7.53003  0.115896  7.32348  0.10622   
1 1 1 32 15 16 o 4.1665   0.088173  17.3686      0.734746 16.8396      1.00859  17.9667      1.07253  4.10156  0.122952  4.23646  0.126583  
1 1 1 32 15 17 o 7.57985  0.0832583 57.4844      1.26217  59.0977      1.73091  55.6525      1.84445  7.68376  0.112635  7.45568  0.123694  
1 1 1 32 15 18 o 6.90822  0.0819961 47.7532      1.13289  49.5166      1.69246  46.3217      1.52492  7.0321   0.120338  6.80206  0.112092  
1 1 1 32 15 19 o 9.9293   0.0919081 98.681       1.82517  98.4068      2.50325  98.9922      2.66686  9.9115   0.12628   9.93984  0.13415   
1 1 1 32 15 20 o 7.87401  0.0798148 62.0484      1.25692  60.7899      1.72602  63.4693      1.834    7.79091  0.110772  7.96027  0.115197  
1 1 1 32 15 21 o 7.90385  0.0836797 62.5329      1.32278  62.7167      1.85221  62.3416      1.88975  7.91167  0.117056  7.88761  0.119793  
1 1 1 32 15 22 o 6.45028  0.0824168 41.6517      1.06322  41.0964      1.45752  42.2834      1.5544   6.40388  0.1138    6.49498  0.119661  
1 1 1 32 15 23 o 3.22147  0.109475  10.4013      0.705343 10.4121      0.978883 10.3895      1.01723  3.21979  0.15201   3.21572  0.158166  
1 1 1 32 15 24 o 1.84297  0.180985  3.41986      0.667101 2.98067      0.909928 3.93024      0.980911 1.71395  0.265448  1.96983  0.248984  
1 1 1 32 15 25 o 2.5829   0.146055  6.70593      0.754489 6.32754      0.994026 7.22021      1.15886  2.50352  0.198526  2.67185  0.216865  
1 1 1 32 15 26 o 1.16085  0.299705  1.43388      0.700409 1.32056      0.951454 1.56794      1.03485  1.13868  0.367535  1.22621  0.381644  
1 1 1 32 15 27 f 5.08598  0.0957458 25.9435      0.973923 26.5065      1.33232  25.2973      1.42725  5.13437  0.129745  5.01311  0.142351  
1 1 1 32 15 28 o 3.09833  0.145599  9.67274      0.902225 9.11311      1.24211  10.2978      1.31269  2.99557  0.207325  3.18462  0.206098  
1 1 1 32 15 29 o 1.85317  0.215535  3.4974       0.798847 2.61299      1.08042  4.56399      1.18649  1.54943  0.355933  2.10344  0.282037  
1 1 1 32 15 30 o 1.27044  0.315703  1.75583      0.799646 0.775173     1.15781  2.65025      1.10573  1.01424  0.395551  1.55112  0.362574  
1 1 1 32 15 31 o 0.682489 0.302735  -0.218625    0.826051 -0.665981    1.11161  0.333069     1.23445  0.728663 0.334114  0.936485 0.392178  
1 1 1 32 15 32 o 1.64282  0.266502  2.81617      0.875629 2.86688      1.22493  2.76318      1.25218  1.59156  0.387832  1.55822  0.399841  
1 1 1 32 15 33 o 2.32851  0.194923  5.57018      0.907763 5.84834      1.30517  5.30955      1.26339  2.3543   0.277188  2.24125  0.28185   
1 1 1 32 15 34 o 1.57544  0.296574  2.71974      0.900182 1.9023       1.24163  3.62549      1.30698  1.29131  0.420085  1.78134  0.378273  
1 1 1 32 15 35 o 1.20063  0.351557  1.64497      0.897716 1.49838      1.2368   1.8082       1.30508  1.16953  0.417425  1.25427  0.430606  
1 1 1 32 15 36 o 0.750988 0.328994  0.0209083    0.942269 -2.43391     1.33125  2.48547      1.33389  0.612354 0.301745  1.40439  0.432527  
1 1 1 32 15 37 o 0.769258 0.325259  0.274842     0.862725 -0.291244    1.19079  0.900258     1.25164  0.771716 0.351085  0.991854 0.402689  
1 1 1 32 15 38 o 1.54902  0.326263  2.90188      0.979057 2.98914      1.33025  2.79875      1.4462   1.47736  0.426465  1.40106  0.453216  
1 1 1 32 15 39 o 1.24042  0.355108  2.00615      0.926103 1.6264       1.27376  2.43202      1.34888  1.09377  0.417602  1.28523  0.437853  
1 1 1 32 15 40 o 1.25817  0.38807   2.35736      1.07324  2.85595      1.47519  1.79671      1.56431  1.28089  0.456012  1.05376  0.441391  
1 1 1 32 15 41 o 0.709297 0.32816   0.135281     1.10169  0.422334     1.66013  -0.0906139   1.4727   0.812807 0.383908  0.74412  0.355427  
1 1 1 32 15 42 o 0.890158 0.378276  1.3645       1.17668  2.20947      1.7236   0.626946     1.61032  0.975576 0.434662  0.800196 0.378024  
1 1 1 32 16 0  f 9.44863  0.107102  89.323       2.02336  89.323       2.02336  89.323       2.02336  9.44986  0.075712  ?        ?         
1 1 1 32 16 1  o 11.2996  0.0864066 127.703      1.95272  128.245      2.8393   127.216      2.68987  11.3224  0.125384  11.2771  0.119262  
1 1 1 32 16 2  o 18.9107  0.132736  357.766      5.02027  357.057      7.16673  358.449      7.03457  18.8878  0.189718  18.9249  0.185854  
1 1 1 32 16 3  o 8.47484  0.0719882 71.8319      1.22018  71.3752      1.76158  72.2531      1.69172  8.44727  0.104269  8.49916  0.0995227 
1 1 1 32 16 4  o 4.0001   0.0830014 16.0035      0.664028 16.2961      0.918964 15.6839      0.960571 4.03619  0.113841  3.95956  0.121298  
1 1 1 32 16 5  f 4.53651  0.0810524 20.5834      0.73539  19.8456      1.0235   21.3707      1.05732  4.45408  0.114895  4.62207  0.114377  
1 1 1 32 16 6  o 5.16155  0.0792658 26.646       0.818269 25.4875      1.14156  27.8704      1.17352  5.04765  0.113078  5.27837  0.111163  
1 1 1 32 16 7  o 8.00893  0.0844783 64.1556      1.35316  64.8451      1.84496  63.3529      1.99065  8.05117  0.114577  7.95771  0.125077  
1 1 1 32 16 8  o 19.638   0.146906  385.895      5.76987  385.386      8.1714   386.4        8.14831  19.6187  0.208255  19.6446  0.207393  
1 1 1 32 16 9  o 9.66928  0.0876564 93.5173      1.69515  92.7972      2.4237   94.2069      2.37174  9.63074  0.125831  9.70376  0.122208  
1 1 1 32 16 10 o 9.35223  0.0821365 87.4844      1.53632  88.6166      2.25068  86.4965      2.10227  9.41132  0.119573  9.2983   0.113046  
1 1 1 32 16 11 o 9.5659   0.0850872 91.5323      1.62787  96.1344      2.37676  87.4658      2.23416  9.80198  0.121239  9.34969  0.119478  
1 1 1 32 16 12 o 15.1279  0.11354   228.986      3.43526  230.575      4.94545  227.505      4.7754   15.1756  0.162941  15.0747  0.158391  
1 1 1 32 16 13 o 0.96405  0.290802  0.939664     0.607175 1.27477      0.837234 0.56789      0.881852 1.12363  0.34199   0.909865 0.347445  
1 1 1 32 16 14 o 8.35155  0.0767942 69.7715      1.2827   69.254       1.75798  70.3606      1.87577  8.31931  0.105657  8.3852   0.11185   
1 1 1 32 16 15 o 10.5812  0.0863988 112.015      1.82841  109.411      2.56107  114.722      2.6112   10.455   0.12248   10.7058  0.121952  
1 1 1 32 16 16 o 5.04294  0.0786298 25.4425      0.793051 24.7173      1.08174  26.2852      1.16609  4.96952  0.108837  5.12451  0.113776  
1 1 1 32 16 17 o 6.7435   0.0815485 45.5003      1.09984  44.9666      1.5646   46.0216      1.54639  6.70184  0.116729  6.78019  0.114037  
1 1 1 32 16 18 o 6.78736  0.0781148 46.0973      1.06039  45.6428      1.48872  46.5654      1.51075  6.75174  0.110247  6.8196   0.110766  
1 1 1 32 16 19 o 4.47252  0.092074  20.0227      0.823606 20.5467      1.17936  19.524       1.15068  4.52846  0.130216  4.41432  0.130335  
1 1 1 32 16 20 o 6.42837  0.078097  41.3575      1.00407  40.2619      1.37511  42.6087      1.46954  6.34026  0.108442  6.52203  0.11266   
1 1 1 32 16 21 o 4.89608  0.086063  23.9981      0.842742 23.0239      1.1897   24.9793      1.19395  4.79276  0.124114  4.99254  0.119573  
1 1 1 32 16 22 o 1.15038  0.282614  1.39485      0.646413 1.09637      0.866688 1.76905      0.970413 1.05982  0.350972  1.29599  0.361119  
1 1 1 32 16 23 o 4.56268  0.0876833 20.8498      0.800141 20.872       1.10013  20.8249      1.16587  4.56202  0.120575  4.55605  0.127947  
1 1 1 32 16 24 o 2.71494  0.133234  7.39979      0.723446 8.58064      0.983762 6.00914      1.06758  2.9202   0.168441  2.43857  0.218896  
1 1 1 32 16 25 o 2.26644  0.157083  5.16979      0.712036 6.00608      0.960405 4.14905      1.06104  2.4385   0.196925  2.01893  0.262774  
1 1 1 32 16 26 o 2.62359  0.139207  6.92298      0.730447 7.19291      1.00811  6.62462      1.05985  2.66789  0.188934  2.55762  0.207195  
1 1 1 32 16 27 o 3.82478  0.112109  14.6917      0.857586 13.51        1.17145  16.0565      1.25889  3.65947  0.160057  3.98997  0.157756  
1 1 1 32 16 28 o 4.26264  0.111871  18.2518      0.953733 17.4431      1.27989  19.2615      1.43015  4.15866  0.153883  4.36759  0.163722  
1 1 1 32 16 29 o 1.50215  0.26817   2.3866       0.776649 2.12291      1.06643  2.68442      1.13332  1.39341  0.374542  1.56685  0.3676    
1 1 1 32 16 30 o 2.97771  0.150841  8.96807      0.898319 8.8569       1.26029  9.08288      1.28079  2.94248  0.214154  2.97954  0.214931  
1 1 1 32 16 31 o 1.69372  0.25724   2.97769      0.871382 1.52592      1.19436  4.6299       1.27414  1.20396  0.412012  2.09666  0.303851  
1 1 1 32 16 32 o 3.34851  0.147157  11.3668      0.985513 11.164       1.33405  11.6104      1.4622   3.29829  0.202233  3.35674  0.217801  
1 1 1 32 16 33 o 0.944241 0.351538  0.818657     0.887623 0.088451     1.25632  1.54648      1.25426  0.885348 0.383836  1.19808  0.421088  
1 1 1 32 16 34 o 3.26348  0.146365  10.8361      0.95532  10.6041      1.33809  11.0774      1.36435  3.19998  0.209078  3.27088  0.20856   
1 1 1 32 16 35 o 1.93524  0.24207   3.95898      0.936927 2.84212      1.30962  5.12996      1.34097  1.53268  0.416445  2.16649  0.30948   
1 1 1 32 16 36 o 3.62906  0.143974  13.5029      1.04498  12.3935      1.47052  14.6346      1.48524  3.42602  0.214611  3.73704  0.19872   
1 1 1 32 16 37 o 0.74059  0.321726  0.120835     0.885994 -0.646381    1.20101  1.0369       1.31235  0.724031 0.337905  1.02216  0.413413  
1 1 1 32 16 38 o 1.10467  0.363562  1.55654      0.929982 1.62368      1.2721   1.47947      1.36299  1.1121   0.419445  1.0815   0.427201  
1 1 1 32 16 39 o 2.16702  0.242795  5.30863      1.05229  5.84909      1.45546  4.71673      1.52316  2.16257  0.336512  1.81634  0.426176  
1 1 1 32 16 40 o 0.608059 0.290319  -0.65381     0.979992 -0.491945    1.33942  -0.840282    1.43763  0.718439 0.341926  0.70661  0.340771  
1 1 1 32 16 41 o 0.788725 0.350614  0.714109     1.11577  1.65187      1.66078  -0.0573876   1.50637  0.931649 0.42042   0.741654 0.355495  
1 1 1 32 16 42 o 0.784418 0.35627   0.820316     1.21504  1.84075      1.8374   0.0273039    1.61976  0.898052 0.418666  0.732295 0.354823  
1 1 1 32 17 0  o 7.60867  0.126122  57.9511      1.91806  57.9511      1.91806  57.9511      1.91806  7.61062  0.0891313 ?        ?         
1 1 1 32 17 1  o 13.4083  0.103865  179.833      2.78531  175.328      3.85139  184.772      4.03293  13.2376  0.145472  13.5893  0.148386  
1 1 1 32 17 2  o 20.991   0.151569  440.878      6.36314  439.871      8.77609  441.994      9.23947  20.9613  0.20934   21.0106  0.219876  
1 1 1 32 17 3  o 2.88339  0.0936182 8.3158       0.539875 8.93119      0.888495 7.95561      0.679753 2.98765  0.148695  2.82003  0.120522  
1 1 1 32 17 4  o 4.78081  0.0772033 22.8598      0.738188 23.7856      1.06333  21.9984      1.02561  4.87627  0.109031  4.6895   0.109352  
1 1 1 32 17 5  o 1.96777  0.161309  3.87487      0.634838 3.66296      0.842755 4.15286      0.965254 1.91261  0.220316  2.03628  0.237014  
1 1 1 32 17 6  o 20.6767  0.160152  427.838      6.6228   427.543      9.25162  428.148      9.48485  20.6623  0.223877  20.6761  0.229367  
1 1 1 32 17 7  o 4.25322  0.0861468 18.0939      0.732803 18.2303      1.05454  17.9665      1.01906  4.26872  0.123519  4.23778  0.120235  
1 1 1 32 17 8  o 8.7173   0.0796416 76.0065      1.38852  78.5829      2.04117  73.7874      1.89437  8.86284  0.115153  8.58831  0.110288  
1 1 1 32 17 9  o 15.4096  0.118425  237.572      3.64978  238.268      5.18752  236.889      5.136    15.4284  0.168116  15.3838  0.166929  
1 1 1 32 17 10 o 6.05865  0.0784423 36.716       0.950509 35.3344      1.35996  38.0355      1.32901  5.94275  0.114422  6.16589  0.107772  
1 1 1 32 17 11 o 10.9748  0.0956809 120.495      2.10016  129.01       3.3631   115.052      2.68889  11.3527  0.14812   10.7224  0.125386  
1 1 1 32 17 12 o 4.33789  0.0871333 18.8243      0.755949 18.5788      1.05647  19.0818      1.08214  4.30873  0.122597  4.36663  0.12391   
1 1 1 32 17 13 o 6.45769  0.0801861 41.7163      1.03563  43.9774      1.43324  39.2458      1.49813  6.62945  0.108096  6.26222  0.119616  
1 1 1 32 17 14 o 8.1106   0.0749689 65.8042      1.21609  65.9489      1.70013  65.6525      1.74018  8.1182   0.104711  8.09979  0.107421  
1 1 1 32 17 15 f 6.54288  0.0740394 42.8252      0.968862 43.4435      1.3846   42.2321      1.3562   6.58867  0.105074  6.49618  0.104384  
1 1 1 32 17 16 o 7.64413  0.0767998 58.4597      1.17414  58.2199      1.66822  58.6951      1.65284  7.62659  0.109369  7.65775  0.10792   
1 1 1 32 17 17 o 9.58536  0.0906179 91.9508      1.73721  92.4073      2.53224  91.5449      2.3877   9.60497  0.131819  9.56085  0.124868  
1 1 1 32 17 18 o 6.81549  0.0786177 46.4821      1.07164  45.7123      1.54819  47.1902      1.48484  6.75627  0.114574  6.86515  0.108143  
1 1 1 32 17 19 o 1.33695  0.263952  1.86411      0.68066  1.82029      0.96749  1.90705      0.95778  1.3171   0.35797   1.34598  0.351864  
1 1 1 32 17 20 o 4.74016  0.0848636 22.492       0.804534 22.4861      1.1286   22.498       1.1472   4.73719  0.119121  4.73828  0.121056  
1 1 1 32 17 21 o 7.22241  0.0863829 52.2253      1.24779  50.2177      1.64217  54.9677      1.91934  7.07877  0.115993  7.40401  0.129615  
1 1 1 32 17 22 f 0.929069 0.299288  0.856099     0.63114  1.01518      0.884227 0.690877     0.901147 1.03639  0.354506  0.943342 0.353609  
1 1 1 32 17 23 o 1.61634  0.200186  2.63416      0.647136 2.83596      0.890705 2.40854      0.94181  1.6719   0.266375  1.508    0.321757  
1 1 1 32 17 24 o 4.54816  0.0951609 20.7298      0.865614 20.5344      1.15847  20.9768      1.30247  4.52279  0.12807   4.56916  0.142528  
1 1 1 32 17 25 o 0.620066 0.275012  -0.224485    0.681408 0.510781     0.918739 -1.12345     1.01588  0.894495 0.351559  0.638894 0.301325  
1 1 1 32 17 26 o 5.51551  0.0917613 30.5006      1.01222  31.5548      1.40151  29.3512      1.46349  5.60364  0.125054  5.40216  0.135454  
1 1 1 32 17 27 o 0.561844 0.263332  -0.727245    0.745983 -1.30931     1.00831  -0.023399    1.10879  0.611622 0.292607  0.840145 0.362365  
1 1 1 32 17 28 o 0.971543 0.332995  0.915895     0.780185 0.893609     1.08581  0.939681     1.12176  1.03392  0.388036  1.05411  0.394645  
1 1 1 32 17 29 o 0.584762 0.269125  -0.520954    0.728643 -0.552088    0.994852 -0.484926    1.07018  0.702847 0.320061  0.743835 0.336478  
1 1 1 32 17 30 f 2.70006  0.165353  7.39259      0.892927 8.06016      1.25742  6.71349      1.26823  2.80302  0.224297  2.55083  0.248592  
1 1 1 32 17 31 o 1.57798  0.262416  2.59097      0.828173 4.54606      1.20808  0.857562     1.13753  2.08111  0.290248  1.02023  0.393264  
1 1 1 32 17 32 o 3.15475  0.153734  10.109       0.969988 9.01054      1.30595  11.4605      1.44866  2.95401  0.221047  3.33326  0.217304  
1 1 1 32 17 33 o 2.47629  0.188372  6.29658      0.932926 6.19173      1.32299  6.40028      1.31575  2.42084  0.27325   2.46427  0.266966  
1 1 1 32 17 34 o 3.39255  0.147329  11.7278      0.999642 12.4463      1.39192  10.9625      1.43655  3.4676   0.200704  3.24236  0.221529  
1 1 1 32 17 35 o 1.01081  0.359024  1.09282      0.913937 -0.575214    1.28531  2.79874      1.29982  0.777932 0.357779  1.5115   0.416754  
1 1 1 32 17 36 o 1.36934  0.336575  2.21269      0.916472 2.49361      1.26861  1.90605      1.32543  1.40441  0.419683  1.24017  0.433156  
1 1 1 32 17 37 o 3.17678  0.164202  10.5068      1.04326  9.4626       1.43493  11.6776      1.5195   2.94604  0.243535  3.2862   0.231193  
1 1 1 32 17 38 o 1.78235  0.2692    3.6089       0.95962  3.60846      1.34486  3.60936      1.36969  1.63112  0.411911  1.62311  0.419141  
1 1 1 32 17 39 o 0.80595  0.34464   0.528216     0.987576 2.29296      1.39498  -1.24497     1.39831  1.20168  0.441873  0.678588 0.329074  
1 1 1 32 17 40 o 1.15529  0.387486  2.04171      1.0564   1.53279      1.50054  2.54182      1.4875   0.996829 0.425495  1.18907  0.452069  
1 1 1 32 17 41 o 0.559006 0.275306  -1.21985     1.10089  -1.90587     1.6697   -0.692275    1.46424  0.632629 0.316168  0.673288 0.328868  
1 1 1 32 17 42 o 0.457523 0.233035  -2.86448     1.1417   -2.37558     1.6833   -3.28098     1.5537   0.581813 0.29415   ?        ?         
1 1 1 32 18 0  o 7.82033  0.105995  61.2006      1.65714  61.2006      1.65714  61.2006      1.65714  7.82171  0.0749209 ?        ?         
1 1 1 32 18 1  o 10.4867  0.0845077 109.991      1.77241  109.188      2.57125  110.719      2.44652  10.4472  0.12306   10.5203  0.116276  
1 1 1 32 18 2  o 12.4378  0.0933821 154.736      2.32294  153.296      3.26237  156.217      3.30837  12.3783  0.131778  12.4957  0.132381  
1 1 1 32 18 3  o 3.94989  0.072625  15.6039      0.573722 16.1515      0.806675 15.0434      0.816138 4.01833  0.100374  3.87798  0.105227  
1 1 1 32 18 4  o 16.8451  0.132272  283.9        4.45628  278.929      5.95622  290.221      6.71629  16.6935  0.178399  17.0263  0.197232  
1 1 1 32 18 5  o 20.2751  0.156836  411.377      6.35971  405.332      8.75344  418.135      9.25553  20.1187  0.217544  20.4328  0.226487  
1 1 1 32 18 6  o 6.0571   0.0800634 36.6957      0.969904 35.2453      1.38686  38.0842      1.35694  5.93553  0.116827  6.17009  0.109961  
1 1 1 32 18 7  o 12.1375  0.101805  147.368      2.47132  146.048      3.62351  148.517      3.37922  12.0806  0.149972  12.183   0.138686  
1 1 1 32 18 8  o 11.6375  0.0952508 135.474      2.21696  135.434      3.14922  135.515      3.12148  11.6338  0.135347  11.6374  0.134115  
1 1 1 32 18 9  o 5.65445  0.0775616 31.9804      0.877137 32.207       1.28468  31.7825      1.20051  5.67369  0.113214  5.63633  0.106497  
1 1 1 32 18 10 o 14.6859  0.116133  215.805      3.41104  218.154      5.08044  213.877      4.60274  14.7603  0.172098  14.6164  0.157451  
1 1 1 32 18 11 o 4.35371  0.0836329 18.9612      0.728226 18.4505      1.06862  19.4039      0.995046 4.29379  0.124438  4.40363  0.11298   
1 1 1 32 18 12 o 12.6888  0.103408  161.099      2.62424  161.271      3.67565  160.92       3.74788  12.6922  0.1448    12.678   0.14781   
1 1 1 32 18 13 o 7.16512  0.0765815 51.3567      1.09743  49.8885      1.47869  53.157       1.63742  7.06089  0.10471   7.28817  0.112334  
1 1 1 32 18 14 o 10.3477  0.0861023 107.127      1.78192  107.194      2.56502  107.065      2.47731  10.3482  0.123936  10.3423  0.119766  
1 1 1 32 18 15 o 8.04929  0.0780573 64.8205      1.25661  64.9566      1.75982  64.679       1.79494  8.05594  0.109225  8.03855  0.111646  
1 1 1 32 18 16 o 6.39695  0.0768593 40.9422      0.98333  40.4079      1.37023  41.5096      1.41199  6.35346  0.107833  6.43937  0.109637  
1 1 1 32 18 17 o 7.03853  0.0772097 49.5719      1.08689  47.7353      1.48457  51.6934      1.59561  6.90492  0.107501  7.1852   0.111034  
1 1 1 32 18 18 o 10.5757  0.0899662 111.95       1.90292  113.181      2.78426  110.871      2.60676  10.6281  0.130985  10.5202  0.123893  
1 1 1 32 18 19 o 6.46178  0.0827623 41.7929      1.06958  41.1622      1.56936  42.34        1.46162  6.40935  0.122428  6.50141  0.112408  
1 1 1 32 18 20 o 8.91949  0.0883331 79.6499      1.57577  79.6113      2.19804  79.6908      2.26022  8.91231  0.123315  8.91618  0.126748  
1 1 1 32 18 21 o 1.6479   0.199581  2.73418      0.657779 2.42615      0.907912 3.07448      0.954299 1.51838  0.309699  1.74213  0.273888  
1 1 1 32 18 22 o 2.23745  0.144658  5.0268       0.647327 4.91334      0.900328 5.14823      0.93138  2.2076   0.203915  2.25956  0.206098  
1 1 1 32 18 23 o 9.02871  0.0869426 81.6509      1.56996  80.175       2.17789  83.2475      2.2652   8.93981  0.121809  9.10889  0.12434   
1 1 1 32 18 24 o 4.05621  0.100964  16.4953      0.819065 16.1653      1.07527  16.9513      1.26419  4.01155  0.134022  4.10496  0.153983  
1 1 1 32 18 25 o 5.88398  0.0868264 34.6972      1.02177  36.1347      1.41833  33.1463      1.47324  5.99911  0.118212  5.74364  0.12825   
1 1 1 32 18 26 o 0.671719 0.287044  0.00436492   0.684251 -0.142324    0.948349 0.163653     0.988238 0.757435 0.330949  0.834563 0.350258  
1 1 1 32 18 27 o 2.5934   0.153937  6.78286      0.79844  6.91734      1.07352  6.61638      1.19446  2.61019  0.20564   2.54703  0.234482  
1 1 1 32 18 28 o 1.10867  0.322898  1.30842      0.75929  1.12961      1.05713  1.49898      1.09128  1.08961  0.386215  1.20152  0.393831  
1 1 1 32 18 29 o 1.35962  0.278049  1.98181      0.729979 1.41553      1.00072  2.6258       1.06717  1.15941  0.377136  1.54654  0.352706  
1 1 1 32 18 30 o 4.69467  0.113271  22.195       1.06354  22.6454      1.46613  21.6947      1.54513  4.72755  0.155062  4.62236  0.167137  
1 1 1 32 18 31 o 0.902888 0.335448  0.71772      0.807395 0.900139     1.13952  0.533814     1.14415  1.02919  0.394391  0.946715 0.384793  
1 1 1 32 18 32 o 2.09559  0.217929  4.53916      0.913383 5.17433      1.25692  3.82844      1.32958  2.21251  0.284049  1.84175  0.373974  
1 1 1 32 18 33 o 2.20765  0.206338  5.0326       0.911045 5.64478      1.31161  4.46189      1.2664   2.30544  0.284461  2.03826  0.310658  
1 1 1 32 18 34 o 0.644246 0.296841  -0.542805    0.889488 -0.348343    1.2079   -0.773188    1.31474  0.792568 0.358053  0.771658 0.357577  
1 1 1 32 18 35 o 0.9223   0.350748  0.812622     0.895655 1.66614      1.29477  0.0294212    1.24028  1.19163  0.426917  0.846171 0.373701  
1 1 1 32 18 36 o 2.59878  0.180817  7.04052      0.939807 6.72578      1.28697  7.40011      1.37563  2.48711  0.258728  2.60443  0.264095  
1 1 1 32 18 37 o 0.605985 0.286016  -0.751376    0.918555 -0.622133    1.28104  -0.888146    1.31781  0.74125  0.346999  0.722754 0.34169   
1 1 1 32 18 38 o 1.5577   0.310111  2.93102      0.931849 2.82578      1.26869  3.05432      1.37317  1.42156  0.418469  1.45848  0.436797  
1 1 1 32 18 39 o 0.811756 0.347971  0.580429     1.01108  -0.288584    1.41301  1.49222      1.44737  0.763627 0.358752  1.0164   0.425085  
1 1 1 32 18 40 o 0.576794 0.281503  -1.1359      1.06551  -0.40175     1.59505  -1.7275      1.43184  0.758953 0.364275  0.627515 0.310105  
1 1 1 32 18 41 o 0.673413 0.31613   0.016276     1.09092  -0.560019    1.61177  0.503499     1.48198  0.699903 0.342604  0.774979 0.365049  
1 1 1 32 18 42 o 0.597405 0.294162  -0.586474    1.22095  0.932657     1.74205  -2.05318     1.71173  0.748    0.364137  0.585065 0.295803  
1 1 1 32 19 0  o 4.91501  0.107455  24.196       1.05514  24.196       1.05514  24.196       1.05514  4.91698  0.0759105 ?        ?         
1 1 1 32 19 1  o 7.82751  0.0725584 61.2794      1.1359   61.9976      1.61262  60.5722      1.60027  7.87264  0.10242   7.78161  0.102824  
1 1 1 32 19 2  f 15.1247  0.110339  228.839      3.3377   228.357      4.60538  229.372      4.8441   15.1063  0.152433  15.1393  0.159984  
1 1 1 32 19 3  o 6.86936  0.0678251 47.1947      0.93183  46.5146      1.30155  47.9097      1.33469  6.81923  0.0954323 6.92071  0.0964272 
1 1 1 32 19 4  o 18.6073  0.137824  346.434      5.12907  343.473      7.11221  349.643      7.40377  18.5225  0.191989  18.6874  0.198095  
1 1 1 32 19 5  o 19.2846  0.149953  372.164      5.78358  367.422      7.78141  378.017      8.64503  19.1556  0.20311   19.4273  0.222497  
1 1 1 32 19 6  o 15.4343  0.129031  238.353      3.98303  238.506      5.47725  238.18       5.80251  15.4354  0.177425  15.4238  0.188102  
1 1 1 32 19 7  o 5.7821   0.0803804 33.4406      0.929536 33.2716      1.34802  33.5939      1.28348  5.7667   0.11688   5.79472  0.110745  
1 1 1 32 19 8  f 11.9875  0.0966469 143.754      2.31711  140.276      3.3313   147.014      3.22506  11.8391  0.140691  12.1206  0.133041  
1 1 1 32 19 9  o 14.7708  0.116589  218.308      3.44423  223.41       5.18049  214.266      4.61088  14.9368  0.173414  14.6296  0.157587  
1 1 1 32 19 10 o 4.59034  0.0903994 21.0796      0.829929 22.5852      1.2308   19.8243      1.12387  4.75045  0.129545  4.45072  0.126257  
1 1 1 32 19 11 o 11.1624  0.0999512 124.665      2.23139  125.788      3.17193  123.565      3.13964  11.2096  0.141482  11.1101  0.141297  
1 1 1 32 19 12 o 4.54587  0.0774297 20.6721      0.70397  21.3234      0.968321 19.942       1.02524  4.61625  0.104882  4.46394  0.114836  
1 1 1 32 19 13 f 6.57372  0.0755482 43.2296      0.993266 45.0497      1.40312  41.4014      1.40627  6.70953  0.104562  6.4319   0.10932   
1 1 1 32 19 14 o 3.82081  0.0860647 14.6063      0.657674 14.3331      0.934685 14.8743      0.925564 3.78381  0.123511  3.85469  0.120057  
1 1 1 32 19 15 f 16.2768  0.12171   265.26       3.96211  267.798      5.70319  262.893      5.50843  16.3437  0.174477  16.1944  0.170072  
1 1 1 32 19 16 o 8.8315   0.0812956 78.0472      1.43592  80.088       2.10129  76.2594      1.96679  8.94303  0.117482  8.72713  0.112682  
1 1 1 32 19 17 o 7.83187  0.0845077 61.3867      1.32371  62.9828      1.822    59.6025      1.92636  7.93037  0.114875  7.7136   0.124868  
1 1 1 32 19 18 o 8.65172  0.0863947 74.9224      1.49493  75.4385      2.18371  74.4671      2.05083  8.67691  0.125835  8.62177  0.118933  
1 1 1 32 19 19 o 5.95297  0.0817854 35.4717      0.973733 34.224       1.41339  36.5988      1.34341  5.84402  0.120926  6.04436  0.111129  
1 1 1 32 19 20 o 4.67538  0.0883625 21.8865      0.826256 21.7466      1.11118  22.0595      1.23572  4.65797  0.119277  4.69018  0.131735  
1 1 1 32 19 21 o 4.86489  0.0841312 23.698       0.818578 24.1841      1.15144  23.2013      1.16395  4.91151  0.117219  4.81028  0.120985  
1 1 1 32 19 22 o 2.51321  0.134733  6.33978      0.677225 7.265        0.991739 5.53137      0.927016 2.68604  0.18461   2.34255  0.197865  
1 1 1 32 19 23 o 1.29809  0.258492  1.76875      0.647288 1.8124       0.90643  1.72333      0.924649 1.30489  0.342849  1.27453  0.351539  
1 1 1 32 19 24 o 4.42095  0.0957354 19.5939      0.846483 19.0864      1.12077  20.2678      1.29152  4.35903  0.128558  4.48939  0.143841  
1 1 1 32 19 25 o 4.12926  0.0984507 17.1012      0.813057 18.2527      1.13967  15.9077      1.16028  4.2607   0.133742  3.97553  0.145928  
1 1 1 32 19 26 o 2.08862  0.174472  4.40897      0.728809 4.92163      1.02346  3.88155      1.03808  2.19749  0.232869  1.94582  0.266748  
1 1 1 32 19 27 o 1.25785  0.306558  1.69984      0.765247 2.05791      1.00562  1.20724      1.1795   1.37653  0.360868  1.13611  0.407427  
1 1 1 32 19 28 o 1.41982  0.277921  2.14387      0.761055 2.36926      1.06445  1.90817      1.08854  1.47205  0.363294  1.32557  0.386797  
1 1 1 32 19 29 o 0.872956 0.32139   0.664529     0.738162 0.00221405   1.00273  1.44808      1.09064  0.798592 0.344523  1.17723  0.393716  
1 1 1 32 19 30 o 2.73468  0.16767   7.59937      0.917049 7.99857      1.23388  7.10674      1.37068  2.78908  0.221198  2.61453  0.262129  
1 1 1 32 19 31 o 3.35582  0.133077  11.3879      0.893164 11.4743      1.26798  11.3028      1.25833  3.34921  0.189295  3.32408  0.189274  
1 1 1 32 19 32 o 1.32445  0.328214  1.96438      0.866099 2.61514      1.19781  1.25137      1.2538   1.50484  0.39354   1.1248   0.417994  
1 1 1 32 19 33 o 1.09276  0.356748  1.30618      0.895446 1.44667      1.26784  1.16633      1.26487  1.16951  0.42211   1.10084  0.417353  
1 1 1 32 19 34 o 0.66962  0.304151  -0.361544    0.885876 -0.551096    1.25331  -0.172291    1.25233  0.776684 0.355563  0.829764 0.370077  
1 1 1 32 19 35 o 1.24779  0.345213  1.84039      0.890014 0.97411      1.21163  2.85558      1.31164  1.01416  0.402094  1.50893  0.419634  
1 1 1 32 19 36 o 1.47883  0.305112  2.53004      0.871616 3.02608      1.2309   2.03116      1.23441  1.55245  0.395289  1.26237  0.418862  
1 1 1 32 19 37 o 0.810019 0.338383  0.473639     0.915546 1.43358      1.2544   -0.620673    1.33932  1.07259  0.413071  0.751211 0.352222  
1 1 1 32 19 38 o 2.12306  0.226999  4.98469      0.963863 6.17955      1.36706  3.80354      1.35919  2.28416  0.299247  1.65613  0.411625  
1 1 1 32 19 39 o 1.12669  0.381559  1.88355      1.02433  2.59637      1.47643  1.222        1.42234  1.22042  0.453577  0.956823 0.411522  
1 1 1 32 19 40 o 1.37011  0.383571  2.99332      1.09231  3.58834      1.5561   2.41532      1.53367  1.31394  0.468293  1.07912  0.44319   
1 1 1 32 19 41 o 1.05196  0.38501   1.98246      1.05798  1.45417      1.4802   2.53423      1.51275  0.893826 0.400394  1.06074  0.438513  
1 1 1 32 20 0  o 1.73053  0.259295  3.19094      0.83692  3.19094      0.83692  3.19094      0.83692  1.76123  0.171755  ?        ?         
1 1 1 32 20 1  o 19.3241  0.134602  373.633      5.20212  374.964      7.54428  372.427      7.18284  19.3523  0.194919  19.2878  0.186202  
1 1 1 32 20 2  o 10.917   0.0850997 119.208      1.85806  117.415      2.52197  121.336      2.74794  10.8335  0.116397  11.0125  0.124764  
1 1 1 32 20 3  o 6.41789  0.0736691 41.1967      0.945601 39.2736      1.38544  42.8738      1.29382  6.26561  0.110559  6.54676  0.0988137 
1 1 1 32 20 4  o 9.97562  0.0875993 99.5392      1.74771  95.7794      2.39285  103.838      2.55876  9.78418  0.122282  10.1874  0.125585  
1 1 1 32 20 5  o 8.04014  0.0833286 64.6601      1.33995  63.3357      1.92885  65.8954      1.86282  7.95625  0.121216  8.11566  0.114767  
1 1 1 32 20 6  o 12.8904  0.106983  166.237      2.75811  166.866      3.87487  165.59       3.92676  12.912   0.150049  12.8623  0.152646  
1 1 1 32 20 7  f 8.6324   0.0799946 74.5385      1.38109  74.7834      1.94431  74.289       1.96213  8.64541  0.112447  8.61673  0.113856  
1 1 1 32 20 8  o 9.28169  0.0853428 86.1784      1.58425  84.4773      2.20303  88.0003      2.27989  9.18812  0.119885  9.37766  0.121559  
1 1 1 32 20 9  o 6.29347  0.0873613 39.6225      1.09961  39.9276      1.58721  39.341       1.52483  6.31638  0.125643  6.26996  0.121598  
1 1 1 32 20 10 o 4.10986  0.0978554 16.8996      0.804344 17.0218      1.19475  16.7983      1.08778  4.12345  0.144873  4.09665  0.132765  
1 1 1 32 20 11 o 3.24156  0.104463  10.5143      0.677244 11.0661      0.937147 9.91111      0.979813 3.32467  0.140938  3.14599  0.155724  
1 1 1 32 20 12 o 4.31306  0.0742465 18.609       0.640459 20.2774      0.966776 17.304       0.854984 4.50139  0.107386  4.15841  0.102802  
1 1 1 32 20 13 o 5.26861  0.0729368 27.7686      0.768551 27.4281      1.08365  28.1132      1.09016  5.23519  0.103497  5.3002   0.102842  
1 1 1 32 20 14 o 4.94699  0.0778414 24.4845      0.77016  24.7441      1.07743  24.2133      1.10131  4.97199  0.10835   4.91821  0.111962  
1 1 1 32 20 15 o 5.82088  0.0765469 33.9015      0.891141 32.6203      1.25751  35.1939      1.26303  5.70815  0.110151  5.92926  0.106508  
1 1 1 32 20 16 o 2.13287  0.136859  4.55831      0.583803 3.88955      0.828816 5.21687      0.822466 1.96752  0.210625  2.28007  0.18036   
1 1 1 32 20 17 o 5.58892  0.0784023 31.2589      0.876369 30.4845      1.24861  32.0107      1.23034  5.51706  0.113159  5.65381  0.108806  
1 1 1 32 20 18 o 5.56415  0.0810889 30.9876      0.902381 28.2524      1.29719  33.5524      1.25612  5.30987  0.122149  5.78778  0.108515  
1 1 1 32 20 19 o 9.36921  0.0849035 87.8776      1.59096  89.6984      2.24883  86.0531      2.25108  9.46073  0.118851  9.26606  0.121469  
1 1 1 32 20 20 o 5.01032  0.0886706 25.1376      0.888536 24.7184      1.27267  25.5362      1.24108  4.96464  0.128174  5.04668  0.12296   
1 1 1 32 20 21 o 6.90225  0.0812223 47.703       1.12123  48.6409      1.58684  46.7678      1.58449  6.96543  0.113908  6.82967  0.116001  
1 1 1 32 20 22 o 4.22413  0.0933538 17.8767      0.788676 17.2737      1.15831  18.3978      1.07686  4.14754  0.139638  4.28205  0.125741  
1 1 1 32 20 23 o 3.4354   0.110312  11.8377      0.757934 11.4883      1.02399  12.2612      1.12719  3.37981  0.151486  3.49031  0.161474  
1 1 1 32 20 24 o 2.27891  0.152203  5.22802      0.693715 5.51829      0.933328 4.86973      1.03696  2.33584  0.199784  2.1893   0.236824  
1 1 1 32 20 25 o 0.810882 0.302889  0.524116     0.660028 0.625237     0.916992 0.415409     0.950766 0.921173 0.353562  0.878838 0.353351  
1 1 1 32 20 26 o 1.77181  0.206845  3.18763      0.732978 3.03844      1.01967  3.34714      1.05437  1.6886   0.313668  1.80178  0.292592  
1 1 1 32 20 27 o 3.22617  0.127971  10.4747      0.825709 9.62416      1.11312  11.5153      1.23126  3.08272  0.180541  3.37154  0.182596  
1 1 1 32 20 28 f 3.76867  0.112784  14.2835      0.850094 15.6428      1.17907  12.8119      1.22678  3.93539  0.149803  3.55579  0.172505  
1 1 1 32 20 29 o 1.01244  0.327596  1.06573      0.755569 0.935168     1.03622  1.21395      1.10408  1.02319  0.380045  1.11118  0.394614  
1 1 1 32 20 30 o 2.20442  0.201988  4.9766       0.890533 4.95731      1.1732   5.00283      1.36791  2.18034  0.269041  2.174    0.314608  
1 1 1 32 20 31 f 0.735862 0.316729  0.0302653    0.843746 -0.00964562  1.18513  0.0712872    1.20151  0.851222 0.370963  0.870501 0.376356  
1 1 1 32 20 32 o 0.646723 0.29574   -0.48342     0.864377 -0.190679    1.1835   -0.818105    1.26544  0.815609 0.362     0.755937 0.35049   
1 1 1 32 20 33 o 1.35672  0.337538  2.09614      0.913279 2.27479      1.2429   1.88648      1.34645  1.38674  0.415612  1.2794   0.437458  
1 1 1 32 20 34 o 1.71533  0.263864  3.15455      0.905228 1.87205      1.28881  4.40329      1.27173  1.25575  0.427992  1.99664  0.318469  
1 1 1 32 20 35 o 2.8765   0.16589   8.55601      0.954365 8.65432      1.35752  8.45994      1.34197  2.84338  0.238715  2.8113   0.238674  
1 1 1 32 20 36 o 1.10558  0.357787  1.48337      0.901226 1.23057      1.2514   1.75577      1.29899  1.05193  0.411027  1.1787   0.427081  
1 1 1 32 20 37 o 0.681573 0.309318  -0.165072    0.911957 -0.575472    1.27256  0.268217     1.30756  0.73443  0.34417   0.854828 0.379816  
1 1 1 32 20 38 o 0.819781 0.346902  0.572634     0.982662 0.352866     1.41852  0.775403     1.36256  0.858423 0.387899  0.912793 0.39778   
1 1 1 32 20 39 o 0.891464 0.359409  1.01382      0.98745  1.60079      1.40757  0.445008     1.38562  1.01786  0.422024  0.834617 0.379438  
1 1 1 32 20 40 o 0.848153 0.356814  1.06458      1.02966  1.34742      1.47775  0.797686     1.43548  0.893941 0.400263  0.822203 0.378124  
1 1 1 32 20 41 o 1.05579  0.381549  2.05863      1.03618  0.808334     1.46147  3.3224       1.46932  0.792012 0.370738  1.19415  0.450672  
1 1 1 32 21 0  o 7.79981  0.101438  60.879       1.58179  60.879       1.58179  60.879       1.58179  7.80115  0.0717016 ?        ?         
1 1 1 32 21 1  o 14.2135  0.106213  202.105      3.01933  199.778      4.17373  204.66       4.3732   14.1287  0.147704  14.2999  0.15291   
1 1 1 32 21 2  o 15.5097  0.121856  240.682      3.7799   233.377      5.33935  248.021      5.35186  15.2681  0.174853  15.7403  0.170005  
1 1 1 32 21 3  o 18.9474  0.14128   359.274      5.35378  360.268      7.79676  358.387      7.36449  18.9655  0.205551  18.9175  0.194647  
1 1 1 32 21 4  o 5.61305  0.0791176 31.514       0.888182 30.8367      1.23014  32.2517      1.28373  5.55173  0.110789  5.67761  0.113052  
1 1 1 32 21 5  o 10.802   0.0936593 116.726      2.02341  114.222      2.79675  119.476      2.93105  10.6836  0.13089   10.9263  0.134128  
1 1 1 32 21 6  o 7.6919   0.0802846 59.1822      1.23508  59.33        1.81189  59.0539      1.68802  7.7002   0.117652  7.68257  0.109861  
1 1 1 32 21 7  o 5.29341  0.0799458 28.0286      0.846371 27.1055      1.21981  28.8856      1.17533  5.20461  0.117185  5.37301  0.109374  
1 1 1 32 21 8  o 10.892   0.0990641 118.694      2.15802  120.47       3.1544   117.132      2.95877  10.9702  0.143771  10.8177  0.136756  
1 1 1 32 21 9  o 9.74675  0.0960177 95.0465      1.87172  95.9581      2.64269  94.129       2.65135  9.79103  0.134955  9.69714  0.136708  
1 1 1 32 21 10 o 4.57995  0.0868214 20.9851      0.795274 20.2719      1.049    21.949       1.21955  4.50066  0.116538  4.68266  0.130219  
1 1 1 32 21 11 o 9.2195   0.0871454 85.0399      1.60688  84.0474      2.21304  86.1467      2.33695  9.16348  0.120753  9.27684  0.125956  
1 1 1 32 21 12 f 3.40275  0.0997948 11.5867      0.679153 10.921       0.921185 12.3795      1.00525  3.30244  0.13947   3.51592  0.142957  
1 1 1 32 21 13 o 6.41353  0.0739641 41.1509      0.948742 40.2925      1.38285  41.9143      1.30406  6.34466  0.108977  6.47154  0.100754  
1 1 1 32 21 14 f 5.89756  0.0719846 34.7976      0.849067 35.7333      1.20496  33.8749      1.19661  5.97497  0.100834  5.81741  0.102847  
1 1 1 32 21 15 o 5.61112  0.0726768 31.5021      0.815596 31.6603      1.14985  31.342       1.15703  5.62368  0.102233  5.59526  0.103394  
1 1 1 32 21 16 o 4.67425  0.0802163 21.8646      0.749902 21.7222      1.0949   21.9905      1.02919  4.65702  0.117554  4.68617  0.109811  
1 1 1 32 21 17 o 5.03842  0.0784064 25.406       0.790088 25.6113      1.14764  25.221       1.08934  5.05651  0.113481  5.0182   0.108539  
1 1 1 32 21 18 o 4.1514   0.0906616 17.2547      0.752745 16.6467      1.04739  17.9041      1.08256  4.07512  0.128511  4.22626  0.128075  
1 1 1 32 21 19 o 1.32564  0.250011  1.83209      0.638599 1.78374      0.907021 1.87962      0.899261 1.29967  0.343646  1.33287  0.336968  
1 1 1 32 21 20 o 4.14254  0.091134  17.1871      0.755052 17.5513      1.07565  16.8334      1.06013  4.18299  0.128574  4.09647  0.129396  
1 1 1 32 21 21 o 3.82636  0.0962139 14.6689      0.736299 13.971       1.03272  15.3905      1.05006  3.73048  0.138417  3.91588  0.134077  
1 1 1 32 21 22 o 2.66414  0.127795  7.12436      0.680928 6.87613      0.953836 7.38234      0.972386 2.61224  0.182571  2.70702  0.179605  
1 1 1 32 21 23 o 3.23124  0.113656  10.4775      0.734497 10.583       0.995086 10.3511      1.08868  3.24291  0.153425  3.20492  0.169846  
1 1 1 32 21 24 o 2.29385  0.148864  5.29697      0.682944 5.44913      0.966413 5.14517      0.965245 2.31921  0.20835   2.25276  0.214236  
1 1 1 32 21 25 o 3.59186  0.108735  12.9539      0.781124 13.4382      1.11169  12.4816      1.09779  3.65117  0.152238  3.5181   0.156021  
1 1 1 32 21 26 o 1.70633  0.217443  2.96076      0.74206  3.12245      1.04968  2.79924      1.04918  1.71093  0.318641  1.61269  0.336315  
1 1 1 32 21 27 o 1.01432  0.327945  1.05297      0.757287 1.27449      1.04755  0.810474     1.09603  1.12931  0.385859  1.0133   0.387229  
1 1 1 32 21 28 o 0.857191 0.317456  0.62869      0.721957 0.577694     1.0041   0.68327      1.03879  0.925154 0.366282  0.960406 0.374645  
1 1 1 32 21 29 o 1.99752  0.197021  4.07687      0.787106 4.48372      1.08559  3.62595      1.14289  2.07796  0.261216  1.85531  0.308005  
1 1 1 32 21 30 o 4.00861  0.125988  16.2255      1.01007  16.1929      1.33844  16.2686      1.53948  3.98946  0.167748  3.98773  0.193027  
1 1 1 32 21 31 o 0.722607 0.314209  -0.0308871   0.846569 -1.42276     1.17608  1.46583      1.21957  0.657069 0.314748  1.17693  0.415063  
1 1 1 32 21 32 o 1.59607  0.288333  2.77806      0.886687 2.69487      1.21506  2.87283      1.29686  1.5245   0.395288  1.56808  0.409213  
1 1 1 32 21 33 f 1.41141  0.327411  2.25378      0.907098 3.05369      1.26616  1.41029      1.30018  1.61092  0.395396  1.15548  0.426401  
1 1 1 32 21 34 o 1.51255  0.300789  2.58411      0.877605 3.61307      1.25218  1.5907       1.23035  1.74739  0.369665  1.17026  0.416472  
1 1 1 32 21 35 o 3.1312   0.150394  10.0889      0.941825 10.1325      1.32436  10.0443      1.33966  3.09321  0.214075  3.07679  0.217704  
1 1 1 32 21 36 o 1.4977   0.319454  2.67204      0.928633 2.242        1.34044  3.06892      1.28771  1.28726  0.436481  1.52679  0.412101  
1 1 1 32 21 37 o 1.01746  0.357392  1.29372      0.90339  2.73774      1.31046  -0.0139811   1.24707  1.38933  0.428879  0.796897 0.36167   
1 1 1 32 21 38 o 0.839091 0.35465   0.682931     1.02504  0.997953     1.47847  0.391341     1.42242  0.944078 0.412854  0.851228 0.386311  
1 1 1 32 21 39 o 0.978959 0.372596  1.396        1.01139  -0.224096    1.43147  3.01089      1.42917  0.757151 0.357272  1.30794  0.45046   
1 1 1 32 21 40 o 1.24882  0.387527  2.68707      1.06806  1.42707      1.5703   3.77178      1.45698  0.884944 0.402749  1.34245  0.45506   
1 1 1 32 21 41 o 0.739411 0.331525  0.79879      1.01685  2.74235      1.52162  -0.769566    1.36687  0.985675 0.424808  0.613963 0.303307  
1 1 1 32 22 0  o 5.89107  0.104117  34.745       1.22585  34.745       1.22585  34.745       1.22585  5.89278  0.0735742 ?        ?         
1 1 1 32 22 1  o 13.1969  0.105871  174.239      2.79433  174.706      4.0622   173.819      3.8499   13.2111  0.153742  13.1782  0.146071  
1 1 1 32 22 2  o 9.87543  0.0918949 97.5589      1.815    96.3895      2.62181  98.6351      2.51512  9.81407  0.133574  9.92811  0.126667  
1 1 1 32 22 3  o 9.66154  0.0849442 93.3749      1.64138  94.7238      2.56925  92.4448      2.13354  9.72885  0.132043  9.61219  0.110981  
1 1 1 32 22 4  o 12.2949  0.105193  151.239      2.58668  150.296      3.87902  151.995      3.47111  12.2525  0.158294  12.323   0.140838  
1 1 1 32 22 5  f 5.10592  0.0789507 26.078       0.806231 25.9089      1.14265  26.2457      1.13774  5.08857  0.112276  5.12156  0.111073  
1 1 1 32 22 6  o 6.15403  0.082763  37.8848      1.01865  39.9798      1.57365  36.3738      1.33642  6.32054  0.124487  6.02925  0.110828  
1 1 1 32 22 7  o 5.30006  0.0852404 28.1013      0.903559 29.0491      1.33951  27.3099      1.22395  5.38757  0.124315  5.22403  0.117146  
1 1 1 32 22 8  o 11.3187  0.104718  128.19       2.37053  126.691      3.39623  129.613      3.3103   11.2487  0.150962  11.3781  0.145467  
1 1 1 32 22 9  f 11.0653  0.0959452 122.507      2.12332  122.345      2.92193  122.687      3.09084  11.0553  0.132151  11.0701  0.139604  
1 1 1 32 22 10 o 1.98737  0.153987  3.95557      0.612057 3.69155      0.842582 4.25052      0.890568 1.91837  0.219609  2.05858  0.216306  
1 1 1 32 22 11 o 11.3306  0.0964212 128.465      2.18501  131.663      3.10712  125.335      3.0733   11.467   0.13548   11.1879  0.13735   
1 1 1 32 22 12 o 5.07947  0.0793275 25.8136      0.805883 25.5348      1.13032  26.1018      1.1493   5.05073  0.111897  5.10646  0.112534  
1 1 1 32 22 13 o 11.2027  0.0884159 125.588      1.981    127.873      2.80802  123.324      2.79513  11.3003  0.124245  11.0973  0.125937  
1 1 1 32 22 14 o 1.65487  0.163119  2.74616      0.539884 3.27166      0.771612 2.24217      0.755659 1.80453  0.213798  1.46937  0.26699   
1 1 1 32 22 15 o 0.907886 0.277386  0.833745     0.550094 0.991378     0.790896 0.686027     0.765621 1.01358  0.335275  0.905526 0.327902  
1 1 1 32 22 16 o 3.78676  0.0874638 14.3532      0.662408 14.9011      0.96794  13.8707      0.90846  3.85638  0.125498  3.72086  0.122077  
1 1 1 32 22 17 o 3.85746  0.0878602 14.8962      0.677835 15.5889      0.953553 14.1886      0.963736 3.94421  0.12088   3.76242  0.128074  
1 1 1 32 22 18 o 2.13111  0.148336  4.55715      0.632243 4.0876       0.882413 5.05249      0.906319 2.01421  0.219047  2.24059  0.20225   
1 1 1 32 22 19 f 6.99548  0.080333  48.9928      1.12394  48.6466      1.61009  49.3217      1.56966  6.96643  0.11556   7.01513  0.111877  
1 1 1 32 22 20 o 6.00067  0.0846159 36.0593      1.0155   35.3831      1.42141  36.7643      1.45134  5.93995  0.119648  6.05474  0.119851  
1 1 1 32 22 21 o 5.30807  0.0841999 28.2189      0.893877 28.6967      1.25256  27.723       1.27603  5.34904  0.117083  5.25693  0.121366  
1 1 1 32 22 22 o 4.15986  0.0946659 17.3432      0.787594 16.9264      1.0919   17.7953      1.13714  4.10514  0.132991  4.20889  0.135087  
1 1 1 32 22 23 o 3.33299  0.111644  11.1485      0.744215 11.9859      1.02276  10.2061      1.08495  3.45131  0.148169  3.18156  0.170506  
1 1 1 32 22 24 o 2.33491  0.14699   5.48931      0.686418 5.3636       0.985101 5.60794      0.956992 2.29902  0.214244  2.35249  0.2034    
1 1 1 32 22 25 o 0.755222 0.304084  0.292126     0.705553 -1.01479     1.00859  1.54457      0.987351 0.646069 0.303415  1.20823  0.372128  
1 1 1 32 22 26 o 2.62139  0.148321  6.92939      0.777614 6.70135      1.07296  7.18169      1.12857  2.56731  0.208965  2.65701  0.212377  
1 1 1 32 22 27 o 3.48291  0.122957  12.208       0.856497 12.4357      1.23223  11.9952      1.19134  3.50347  0.175859  3.44155  0.173082  
1 1 1 32 22 28 o 0.867985 0.317793  0.664074     0.720869 -0.201373    1.00212  1.59214      1.03774  0.760724 0.335944  1.21508  0.38298   
1 1 1 32 22 29 o 3.48784  0.132865  12.2898      0.926826 12.3837      1.22759  12.1653      1.41343  3.48774  0.175987  3.44593  0.205086  
1 1 1 32 22 30 o 2.17362  0.212783  4.86222      0.92502  4.79176      1.20933  4.96158      1.43604  2.13422  0.283319  2.15118  0.33378   
1 1 1 32 22 31 o 0.949127 0.344945  0.86346      0.847952 1.4222       1.19661  0.299872     1.20178  1.15983  0.410925  0.906948 0.383703  
1 1 1 32 22 32 o 2.0463   0.222581  4.35451      0.910933 4.43736      1.22688  4.25273      1.35987  2.03328  0.301699  1.93816  0.364214  
1 1 1 32 22 33 o 0.947857 0.356815  0.848453     0.919484 1.65892      1.29458  0.023393     1.30619  1.2098   0.427539  0.876314 0.385598  
1 1 1 32 22 34 o 0.973187 0.352917  1.00479      0.887175 0.784506     1.31565  1.18849      1.20143  0.993639 0.409686  1.06192  0.405534  
1 1 1 32 22 35 o 1.9556   0.229782  4.0986       0.898721 4.42757      1.32482  3.81816      1.22322  1.92577  0.357365  1.78769  0.354733  
1 1 1 32 22 36 o 1.12366  0.359622  1.58824      0.912336 1.35531      1.27973  1.82897      1.30101  1.05972  0.41533   1.17085  0.4271    
1 1 1 32 22 37 o 1.4447   0.316271  2.5621       0.888766 3.24121      1.24812  1.86352      1.26588  1.54187  0.401021  1.15427  0.421271  
1 1 1 32 22 38 o 1.00268  0.372892  1.42136      0.998199 1.55835      1.42293  1.28862      1.40066  1.02051  0.423795  0.971977 0.412869  
1 1 1 32 22 39 o 1.62157  0.324653  3.56964      1.01572  3.56026      1.43515  3.57907      1.43774  1.3971   0.451436  1.40078  0.451766  
1 1 1 32 22 40 o 0.738588 0.330808  0.542501     1.0101   -0.602108    1.43535  1.66554      1.42175  0.673456 0.328327  0.924123 0.404487  
1 1 1 32 23 0  o 16.909   0.196292  286.287      6.6362   286.287      6.6362   286.287      6.6362   16.9145  0.138733  ?        ?         
1 1 1 32 23 1  o 3.4635   0.0939326 12.0008      0.650671 11.7479      0.891253 12.2894      0.952136 3.42615  0.130066  3.50409  0.135861  
1 1 1 32 23 2  o 10.2034  0.0894385 104.148      1.82515  104.456      2.62367  103.859      2.54063  10.2164  0.128405  10.1874  0.124695  
1 1 1 32 23 3  f 7.05238  0.0753693 49.7497      1.06307  51.0033      1.56073  48.6647      1.45196  7.13959  0.109301  6.97418  0.104095  
1 1 1 32 23 4  o 20.1984  0.159236  408.493      6.43262  410.094      9.13365  406.918      9.06099  20.225   0.225801  20.1468  0.224874  
1 1 1 32 23 5  o 1.71539  0.177652  2.9474       0.609487 3.20341      0.886405 2.71782      0.839405 1.78696  0.24802   1.64581  0.255012  
1 1 1 32 23 6  o 6.57578  0.0893417 43.2597      1.17498  44.8413      1.88015  42.2461      1.50509  6.69279  0.140461  6.49734  0.115824  
1 1 1 32 23 7  o 4.0112   0.0983405 16.0986      0.788927 14.7122      1.08775  17.6374      1.14595  3.83344  0.141876  4.19745  0.136505  
1 1 1 32 23 8  o 9.58738  0.0902655 91.9632      1.73082  92.1033      2.35933  91.8         2.54691  9.59263  0.122976  9.57607  0.132983  
1 1 1 32 23 9  o 9.18554  0.0846722 84.4134      1.55552  87.1411      2.25314  81.9294      2.15015  9.33048  0.120741  9.04729  0.118828  
1 1 1 32 23 10 o 11.5014  0.0944362 132.366      2.1723   134.753      3.1191   130.117      3.02716  11.6008  0.134434  11.3997  0.132773  
1 1 1 32 23 11 f 3.3721   0.0967773 11.3793      0.652685 12.6692      0.916214 10.0503      0.930014 3.55707  0.128788  3.16754  0.146804  
1 1 1 32 23 12 o 6.00494  0.0765455 36.078       0.919303 36.1522      1.27463  35.9976      1.32714  6.00968  0.106048  5.99655  0.110659  
1 1 1 32 23 13 o 0.960379 0.24982   0.962919     0.484322 1.40221      0.7314   0.619872     0.646332 1.15841  0.30964   0.847301 0.301823  
1 1 1 32 23 14 o 0.563808 0.245632  -0.0981283   0.519273 -0.405924    0.760639 0.170528     0.710634 0.629044 0.284158  0.732967 0.301463  
1 1 1 32 23 15 o 4.24005  0.0790659 17.9916      0.670486 16.8581      0.942402 19.1535      0.954127 4.10257  0.114855  4.37331  0.109085  
1 1 1 32 23 16 o 2.43228  0.119292  5.92757      0.580302 5.76219      0.805889 6.10567      0.836298 2.3958   0.168188  2.4661   0.169559  
1 1 1 32 23 17 o 1.85207  0.16204   3.44365      0.60022  3.21363      0.845937 3.67686      0.851772 1.78509  0.236945  1.91034  0.222937  
1 1 1 32 23 18 o 2.51117  0.121868  6.32183      0.612061 6.13128      0.882434 6.4985       0.849666 2.46943  0.178671  2.54317  0.167048  
1 1 1 32 23 19 o 7.49354  0.0801993 56.2219      1.20195  55.2792      1.67785  57.2156      1.72267  7.42598  0.112972  7.55475  0.114012  
1 1 1 32 23 20 o 2.95432  0.111843  8.7507       0.660839 7.32211      0.931622 10.1975      0.937541 2.69764  0.172673  3.18623  0.147124  
1 1 1 32 23 21 o 5.35216  0.0861502 28.6953      0.922179 28.482       1.2602   28.9411      1.35306  5.32818  0.118258  5.36977  0.125989  
1 1 1 32 23 22 o 1.902    0.171727  3.64672      0.653248 2.29523      0.87821  5.32071      0.977392 1.46972  0.308591  2.29261  0.213161  
1 1 1 32 23 23 o 1.93643  0.174259  3.78413      0.674878 3.80386      0.925335 3.76171      0.986435 1.93374  0.23926   1.92052  0.256814  
1 1 1 32 23 24 o 1.37625  0.251515  1.99246      0.666567 1.93681      0.953119 2.04574      0.932553 1.33894  0.351463  1.37649  0.340245  
1 1 1 32 23 25 o 2.42783  0.157119  5.94635      0.762913 5.5732       1.06359  6.34183      1.09494  2.33903  0.227357  2.49671  0.219276  
1 1 1 32 23 26 o 1.3611   0.273135  1.97018      0.717334 2.76195      1.00534  1.14899      1.02384  1.60225  0.325053  1.08873  0.380658  
1 1 1 32 23 27 o 2.53214  0.153415  6.48537      0.776938 5.95127      1.06523  7.09245      1.13566  2.41118  0.220894  2.63366  0.215606  
1 1 1 32 23 28 f 0.831905 0.316594  0.547001     0.730144 0.961046     1.0285   0.126321     1.03671  1.02687  0.379183  0.833069 0.354571  
1 1 1 32 23 29 f 3.19355  0.143487  10.325       0.916463 10.2242      1.21194  10.4595      1.40058  3.16269  0.191599  3.18803  0.219663  
1 1 1 32 23 30 o 2.04813  0.20988   4.32089      0.859726 4.42061      1.17326  4.20527      1.26341  2.04592  0.286733  1.98317  0.318532  
1 1 1 32 23 31 o 1.3219   0.320695  1.95219      0.840404 1.74642      1.21763  2.13939      1.16139  1.24796  0.416006  1.36207  0.400198  
1 1 1 32 23 32 o 2.56143  0.189043  6.76602      0.968441 7.05782      1.37002  6.47459      1.36915  2.5785   0.265662  2.46292  0.277952  
1 1 1 32 23 33 o 0.610007 0.288593  -0.916964    0.941567 -1.52562     1.33871  -0.321107    1.32456  0.692327 0.332642  0.82419  0.373503  
1 1 1 32 23 34 o 1.89547  0.242975  3.85536      0.921104 3.80262      1.31976  3.90544      1.28617  1.77199  0.383244  1.80938  0.368203  
1 1 1 32 23 35 o 0.807458 0.33379   0.448563     0.876419 -0.064285    1.2553   0.936288     1.22417  0.815738 0.366953  0.985498 0.398996  
1 1 1 32 23 36 o 2.29861  0.208156  5.70391      0.956939 5.14133      1.33576  6.29706      1.37158  2.07924  0.321214  2.33121  0.294178  
1 1 1 32 23 37 o 1.10576  0.369583  1.66029      0.961037 0.571256     1.39326  2.64873      1.32735  0.889188 0.393952  1.32232  0.434345  
1 1 1 32 23 38 o 1.83098  0.285589  4.10487      1.04582  2.05042      1.46183  6.25878      1.4968   1.10258  0.44024   2.17442  0.344185  
1 1 1 32 23 39 o 0.923221 0.36338   1.36277      0.982904 2.10719      1.43748  0.709116     1.347    1.02668  0.426131  0.811824 0.37042   
1 1 1 32 23 40 o 0.559157 0.272896  -0.860892    1.00135  -0.786378    1.43854  -0.930936    1.39473  0.656896 0.322113  0.638725 0.314473  
1 1 1 32 24 0  o 5.48065  0.104111  30.0785      1.14026  30.0785      1.14026  30.0785      1.14026  5.48252  0.0735623 ?        ?         
1 1 1 32 24 1  o 3.31756  0.0887127 11.0107      0.58862  10.3087      0.812675 11.7855      0.85371  3.20938  0.126609  3.43163  0.124388  
1 1 1 32 24 2  o 6.26063  0.0704419 39.2057      0.882021 40.8024      1.26431  37.6919      1.23109  6.38603  0.0989902 6.13775  0.100288  
1 1 1 32 24 3  o 6.65523  0.0766446 44.3061      1.02017  45.0463      1.54167  43.7295      1.36071  6.70928  0.114891  6.61095  0.102913  
1 1 1 32 24 4  o 6.84343  0.0809485 46.8496      1.10793  45.6494      1.53769  48.1454      1.59774  6.75402  0.113835  6.93615  0.115175  
1 1 1 32 24 5  o 4.5871   0.0855467 21.0503      0.784823 21.6806      1.12831  20.4595      1.09237  4.65429  0.121212  4.52133  0.120802  
1 1 1 32 24 6  o 8.61648  0.0916881 74.281       1.58006  75.3003      2.37854  73.4759      2.11388  8.67269  0.137128  8.5679   0.12336   
1 1 1 32 24 7  o 9.05262  0.0905379 81.9921      1.63921  83.3705      2.22988  80.3714      2.41791  9.12642  0.122166  8.95983  0.134931  
1 1 1 32 24 8  o 3.65076  0.0889129 13.3351      0.649199 14.081       0.873772 12.4159      0.969955 3.75074  0.11648   3.52136  0.137724  
1 1 1 32 24 9  o 1.30081  0.211243  1.69756      0.549575 1.86593      0.68896  1.40298      0.911292 1.33938  0.266653  1.17567  0.356589  
1 1 1 32 24 10 o 4.18468  0.0865228 17.5219      0.724141 19.5902      0.982376 15.0608      1.07161  4.42391  0.11103   3.87787  0.13817   
1 1 1 32 24 11 o 6.01247  0.0760596 36.1684      0.914613 36.769       1.30353  35.5861      1.28361  6.06062  0.107541  5.96233  0.107643  
1 1 1 32 24 12 o 1.47515  0.197604  2.18479      0.582992 2.05108      0.796107 2.33941      0.856109 1.39991  0.293722  1.49741  0.296407  
1 1 1 32 24 13 o 2.51249  0.123746  6.32317      0.621823 5.87135      0.848715 6.84678      0.913652 2.41902  0.175425  2.61227  0.174877  
1 1 1 32 24 14 o 6.64634  0.0733864 44.2022      0.975502 43.0347      1.33984  45.5191      1.42305  6.55599  0.102184  6.7423   0.105532  
1 1 1 32 24 15 o 2.35487  0.117121  5.55565      0.551608 5.95979      0.773808 5.13811      0.78653  2.43714  0.158753  2.26215  0.173846  
1 1 1 32 24 16 o 3.17393  0.0974198 10.0878      0.618407 10.3609      0.865866 9.80348      0.883522 3.21454  0.134679  3.12645  0.141298  
1 1 1 32 24 17 o 11.1959  0.0931419 125.526      2.08562  124.253      3.01135  126.699      2.89134  11.1302  0.135279  11.2408  0.128609  
1 1 1 32 24 18 o 1.31228  0.217496  1.73701      0.570832 1.65953      0.809093 1.81379      0.805475 1.25264  0.321393  1.30933  0.311659  
1 1 1 32 24 19 o 4.39497  0.084695  19.3438      0.744464 19.5785      1.05829  19.1139      1.04745  4.41838  0.11976   4.36562  0.119966  
1 1 1 32 24 20 o 2.47164  0.126982  6.13083      0.62771  6.14892      0.914525 6.11471      0.863134 2.47039  0.185097  2.46448  0.175115  
1 1 1 32 24 21 o 1.914    0.166667  3.68927      0.638    3.64111      0.900392 3.73782      0.904157 1.89467  0.237612  1.91991  0.235469  
1 1 1 32 24 22 o 5.7784   0.0905521 33.4689      1.04649  33.4641      1.36389  33.4758      1.63181  5.7733   0.118121  5.76933  0.141421  
1 1 1 32 24 23 o 2.13789  0.157738  4.60685      0.67445  5.94509      0.981996 3.41191      0.927931 2.42224  0.202704  1.82822  0.25378   
1 1 1 32 24 24 o 2.07773  0.164715  4.3592       0.684467 4.01006      0.960531 4.71939      0.975609 1.98151  0.242374  2.15245  0.226627  
1 1 1 32 24 25 o 2.43736  0.153946  5.994        0.750441 5.63924      1.06195  6.34788      1.06062  2.35203  0.225751  2.49819  0.212278  
1 1 1 32 24 26 f 6.10259  0.0926328 37.3725      1.1306   37.6572      1.58598  37.0784      1.61216  6.11527  0.129673  6.06705  0.132862  
1 1 1 32 24 27 o 2.05503  0.182199  4.29393      0.748848 4.45076      1.02391  4.11358      1.09804  2.07814  0.246352  1.99039  0.275835  
1 1 1 32 24 28 o 3.1721   0.129386  10.159       0.820851 10.4775      1.16105  9.84071      1.16067  3.20674  0.181032  3.10588  0.18685   
1 1 1 32 24 29 o 0.859206 0.337514  0.531762     0.846386 0.55976      1.14201  0.497642     1.26071  0.950226 0.385103  0.969963 0.400613  
1 1 1 32 24 30 o 2.09612  0.20462   4.52947      0.857814 4.61941      1.20467  4.43696      1.22177  2.08632  0.288708  2.04026  0.299416  
1 1 1 32 24 31 o 1.36077  0.312292  2.0595       0.832376 1.43016      1.15788  2.73256      1.19743  1.15527  0.404725  1.53738  0.388941  
1 1 1 32 24 32 o 2.87441  0.1736    8.48241      0.997998 8.86889      1.47558  8.15657      1.3549   2.89587  0.254773  2.78379  0.243355  
1 1 1 32 24 33 o 0.991257 0.355119  1.05066      0.895875 2.18429      1.32429  0.094102     1.21648  1.32618  0.433844  0.849901 0.373058  
1 1 1 32 24 34 o 1.14012  0.349247  1.54459      0.87127  1.04923      1.21549  2.0681       1.24954  1.0229   0.403623  1.28078  0.421422  
1 1 1 32 24 35 o 0.872733 0.345912  0.716853     0.896445 0.437284     1.24435  1.0185       1.29255  0.885376 0.3829    1.00185  0.408388  
1 1 1 32 24 36 o 1.92247  0.234298  4.08161      0.90086  5.40022      1.29303  2.83786      1.2558   2.14705  0.301119  1.43234  0.414649  
1 1 1 32 24 37 o 0.774213 0.33417   0.422752     0.944251 -0.0707628   1.31683  0.945082     1.35473  0.776235 0.358993  0.92779  0.400359  
1 1 1 32 24 38 f 1.17862  0.378501  2.07993      1.01001  3.10701      1.4697   1.16078      1.39034  1.32282  0.456685  0.933946 0.404332  
1 1 1 32 24 39 o 0.824465 0.345699  0.988526     0.961196 -0.752941    1.33672  2.85305      1.38314  0.648226 0.316174  1.16635  0.437911  
1 1 1 32 24 40 o 0.745901 0.334827  0.736671     1.03989  1.4555       1.57157  0.176831     1.38692  0.840038 0.389909  0.705207 0.338769  
1 1 1 32 25 0  o 9.1962   0.108258  84.6336      1.99051  84.6336      1.99051  84.6336      1.99051  9.19793  0.0765237 ?        ?         
1 1 1 32 25 1  o 6.71078  0.0720665 45.048       0.967245 45.0632      1.34673  45.0318      1.39008  6.71097  0.100338  6.70851  0.103606  
1 1 1 32 25 2  o 7.2781   0.0709899 52.9862      1.03334  52.5838      1.45293  53.3981      1.46996  7.24935  0.100211  7.30525  0.10061   
1 1 1 32 25 3  o 18.5509  0.137674  344.522      5.10794  351.99       7.45051  337.899      7.01646  18.7394  0.198792  18.3621  0.191058  
1 1 1 32 25 4  o 5.30228  0.0796566 28.125       0.844724 27.2421      1.1848   29.0379      1.20469  5.21734  0.113545  5.38662  0.111822  
1 1 1 32 25 5  o 4.69696  0.0827479 22.0709      0.777327 21.0501      1.0833   23.1545      1.11605  4.586    0.118109  4.80985  0.116017  
1 1 1 32 25 6  o 12.9564  0.110953  168.006      2.87512  168.974      4.03981  167.012      4.09278  12.9885  0.155515  12.9125  0.158482  
1 1 1 32 25 7  o 2.28292  0.147787  5.2197       0.674774 5.51862      0.948398 4.91325      0.960262 2.34579  0.202149  2.2129   0.216969  
1 1 1 32 25 8  o 3.00205  0.115598  9.02132      0.694061 8.0754       0.945807 10.1251      1.02168  2.83875  0.166589  3.17889  0.160697  
1 1 1 32 25 9  o 10.285   0.0949141 105.859      1.95238  108.859      2.80587  103.043      2.71838  10.4258  0.134564  10.1435  0.133996  
1 1 1 32 25 10 o 9.56687  0.0922612 91.5961      1.7653   92.6075      2.64034  90.7785      2.37389  9.61502  0.137303  9.52103  0.124666  
1 1 1 32 25 11 o 2.91426  0.102017  8.50203      0.59461  9.03158      0.833623 7.95356      0.848382 3.0023   0.138831  2.81694  0.150586  
1 1 1 32 25 12 o 3.99554  0.0887744 15.9781      0.709403 17.2776      0.971454 14.4933      1.03838  4.15353  0.116943  3.80314  0.136516  
1 1 1 32 25 13 o 1.90915  0.153836  3.65504      0.58739  3.99624      0.79981  3.25553      0.865458 1.99431  0.200523  1.79814  0.240653  
1 1 1 32 25 14 f 2.11535  0.121729  4.48348      0.514999 5.0237       0.73396  3.95956      0.722805 2.23739  0.164022  1.98552  0.182019  
1 1 1 32 25 15 o 5.18008  0.0734553 26.8541      0.761009 26.7019      1.06594  27.0122      1.08682  5.16341  0.103221  5.19321  0.104639  
1 1 1 32 25 16 o 0.821366 0.277715  0.635692     0.542645 0.521005     0.771434 0.748021     0.76346  0.853754 0.325272  0.922523 0.328092  
1 1 1 32 25 17 o 4.78754  0.0777013 22.9451      0.743996 23.0326      1.05842  22.8596      1.04603  4.79402  0.110389  4.77606  0.109508  
1 1 1 32 25 18 o 1.35643  0.213014  1.8564       0.577875 0.856315     0.827979 2.80622      0.806906 0.971951 0.342075  1.66557  0.242231  
1 1 1 32 25 19 o 2.9236   0.106587  8.56806      0.623234 7.5761       0.878334 9.57393      0.884471 2.74509  0.159983  3.08752  0.143233  
1 1 1 32 25 20 o 2.82226  0.113556  7.98977      0.64097  7.63371      0.925244 8.31832      0.888792 2.75361  0.168006  2.87593  0.154523  
1 1 1 32 25 21 o 1.47226  0.216764  2.19579      0.638264 2.84369      0.901838 1.54557      0.903449 1.66967  0.270065  1.20958  0.352198  
1 1 1 32 25 22 o 4.16302  0.0980949 17.3815      0.816742 17.1345      1.09515  17.6911      1.22598  4.12832  0.132639  4.19244  0.146214  
1 1 1 32 25 23 o 5.55697  0.087469  30.9612      0.972126 31.2668      1.4263   30.6961      1.32849  5.57587  0.127899  5.52657  0.120192  
1 1 1 32 25 24 o 2.40479  0.15387   5.83193      0.740051 7.09537      1.06023  4.63147      1.03347  2.64459  0.200452  2.12956  0.242648  
1 1 1 32 25 25 o 2.41951  0.150157  5.90648      0.726612 5.18956      0.993782 6.72996      1.06509  2.25634  0.22022   2.57232  0.207029  
1 1 1 32 25 26 o 2.60172  0.145588  6.83725      0.757559 6.76157      1.06895  6.91362      1.07377  2.57412  0.207634  2.60325  0.206236  
1 1 1 32 25 27 o 0.766063 0.306441  0.345662     0.709914 -0.409318    0.976207 1.19308      1.03425  0.713441 0.322119  1.09294  0.382543  
1 1 1 32 25 28 o 0.850098 0.320778  0.598663     0.744301 0.884225     1.06085  0.321816     1.04454  1.00989  0.382407  0.873468 0.362939  
1 1 1 32 25 29 o 3.3493   0.143556  11.3713      0.961622 11.3374      1.32389  11.4093      1.3991   3.32349  0.199172  3.32917  0.210127  
1 1 1 32 25 30 o 0.647218 0.292418  -0.32604     0.805848 1.11285      1.13738  -1.77644     1.14192  1.07112  0.398101  0.60872  0.295875  
1 1 1 32 25 31 o 1.72859  0.261185  3.15902      0.902965 2.08599      1.33198  4.07148      1.22828  1.33541  0.435101  1.93799  0.316896  
1 1 1 32 25 32 o 0.62384  0.290731  -0.648227    0.885082 0.351643     1.27517  -1.5777      1.22947  0.920258 0.392509  0.651819 0.314541  
1 1 1 32 25 33 o 2.52141  0.185265  6.62125      0.93426  5.21683      1.36253  7.86747      1.28349  2.15836  0.315641  2.71515  0.236358  
1 1 1 32 25 34 f 1.45412  0.317167  2.47539      0.896845 3.55301      1.27345  1.41492      1.26328  1.69633  0.384206  1.10453  0.417577  
1 1 1 32 25 35 o 1.56412  0.313758  2.92145      0.946919 3.27399      1.30231  2.526        1.3793   1.56448  0.410908  1.33883  0.442762  
1 1 1 32 25 36 o 1.28662  0.335438  2.09405      0.871933 0.597025     1.21417  3.68825      1.25295  0.881201 0.379623  1.67187  0.382783  
1 1 1 32 25 37 o 1.68031  0.299833  3.5328       0.971361 3.66626      1.39644  3.4077       1.35206  1.52716  0.435693  1.47431  0.431364  
1 1 1 32 25 38 o 0.665075 0.306342  -0.045789    0.946357 -1.35913     1.32836  1.30781      1.34857  0.625363 0.307573  0.932693 0.400911  
1 1 1 32 25 39 o 0.678516 0.310454  0.221431     0.954031 0.346457     1.35476  0.0984334    1.34372  0.747611 0.351242  0.720718 0.342756  
1 1 1 32 25 40 f 1.05956  0.380206  2.33067      1.0273   1.15937      1.47945  3.42125      1.42757  0.767204 0.362391  1.11156  0.437796  
1 1 1 32 26 0  o 6.43277  0.100631  41.4242      1.29396  41.4242      1.29396  41.4242      1.29396  6.43446  0.0711187 ?        ?         
1 1 1 32 26 1  o 13.6641  0.103943  186.836      2.84058  189.313      4.06197  184.464      3.97385  13.7495  0.147714  13.5724  0.146394  
1 1 1 32 26 2  o 6.10027  0.0693315 37.2248      0.845883 36.5842      1.17911  37.9041      1.21418  6.04662  0.0975015 6.15468  0.0986386 
1 1 1 32 26 3  o 5.99479  0.0706373 35.9492      0.846911 36.4025      1.20677  35.5093      1.18886  6.03145  0.10004   5.957    0.0997866 
1 1 1 32 26 4  o 13.5706  0.11259   184.319      3.05583  186.523      4.1566   181.726      4.50795  13.6465  0.152295  13.4677  0.167362  
1 1 1 32 26 5  o 6.25353  0.0753572 39.1223      0.942497 39.4247      1.30221  38.7895      1.36585  6.2765   0.103737  6.22546  0.109699  
1 1 1 32 26 6  o 7.27949  0.0865644 53.0204      1.26029  54.3604      1.81838  51.7816      1.74832  7.36875  0.123385  7.19197  0.121547  
1 1 1 32 26 7  o 4.48273  0.0909461 20.1079      0.815373 21.6607      1.16269  18.6053      1.14376  4.65122  0.124988  4.31037  0.132676  
1 1 1 32 26 8  o 3.13783  0.114121  9.85694      0.716185 11.0029      1.01666  8.72803      1.00906  3.31371  0.153402  2.95062  0.170992  
1 1 1 32 26 9  o 10.9097  0.0990037 119.131      2.16019  115.051      3.07212  123.122      3.03811  10.7158  0.143346  11.0862  0.137023  
1 1 1 32 26 10 o 3.03818  0.114683  9.24323      0.696854 9.7003       1.00812  8.825        0.964341 3.1103   0.162061  2.96663  0.162531  
1 1 1 32 26 11 o 2.50644  0.126779  6.29335      0.635529 5.84321      0.912463 6.71745      0.885684 2.41253  0.189109  2.58763  0.171138  
1 1 1 32 26 12 o 5.30662  0.0802073 28.1816      0.851259 29.8687      1.22635  26.6128      1.18257  5.46114  0.112279  5.15473  0.114707  
1 1 1 32 26 13 o 8.31946  0.0868483 69.2819      1.44506  68.2901      2.03979  70.2812      2.04748  8.25551  0.123541  8.37517  0.122235  
1 1 1 32 26 14 o 5.21796  0.084636  27.2549      0.883254 25.6611      1.26911  28.7521      1.23003  5.05997  0.125407  5.35704  0.114805  
1 1 1 32 26 15 o 4.34875  0.0750692 18.9281      0.652914 20.4852      0.95182  17.5443      0.897309 4.52213  0.10524   4.18483  0.10721   
1 1 1 32 26 16 o 2.75446  0.102599  7.60089      0.565211 7.73196      0.814009 7.47887      0.785415 2.77543  0.146645  2.72982  0.143858  
1 1 1 32 26 17 f 5.04379  0.0766045 25.4685      0.772754 26.0562      1.11312  24.9219      1.07363  5.09869  0.109157  4.98663  0.107651  
1 1 1 32 26 18 o 1.86956  0.155627  3.51282      0.581908 4.03759      0.836031 3.01968      0.81045  2.00039  0.208967  1.72795  0.234512  
1 1 1 32 26 19 o 3.1967   0.0973909 10.2412      0.62266  10.2161      0.883277 10.2659      0.877895 3.18927  0.138476  3.19715  0.137293  
1 1 1 32 26 20 f 2.8643   0.114404  8.23254      0.655376 9.29504      0.949922 7.26738      0.905366 3.03907  0.156285  2.68584  0.168545  
1 1 1 32 26 21 o 2.93527  0.118718  8.65143      0.696937 8.03175      0.941761 9.40166      1.03623  2.82261  0.166824  3.05343  0.169683  
1 1 1 32 26 22 f 3.52339  0.10912   12.4621      0.768946 12.5913      1.06413  12.3209      1.11238  3.5353   0.150501  3.49562  0.159111  
1 1 1 32 26 23 o 4.7733   0.0937557 22.8566      0.895049 23.2497      1.28368  22.4846      1.24863  4.80628  0.133542  4.72687  0.132078  
1 1 1 32 26 24 o 2.999    0.129524  9.05138      0.776887 9.96905      1.10856  8.1657       1.08907  3.13876  0.176592  2.8377   0.191893  
1 1 1 32 26 25 o 4.66328  0.0955794 21.8274      0.891427 19.9855      1.21746  23.9561      1.30883  4.45334  0.136691  4.87638  0.134201  
1 1 1 32 26 26 f 1.09745  0.309733  1.29945      0.709438 0.562134     1.0025   2.0391       1.00409  0.920492 0.365499  1.3593   0.362555  
1 1 1 32 26 27 o 1.76414  0.214017  3.19364      0.755112 3.97222      1.06107  2.39473      1.07484  1.95211  0.271776  1.46426  0.367328  
1 1 1 32 26 28 o 2.77743  0.150836  7.82285      0.837873 7.358        1.14673  8.35523      1.22722  2.67437  0.214394  2.84949  0.21534   
1 1 1 32 26 29 o 1.46182  0.302874  2.34888      0.855674 1.46317      1.15624  3.42129      1.27228  1.16944  0.404936  1.73553  0.377093  
1 1 1 32 26 30 o 2.76847  0.15932   7.81322      0.882146 7.44466      1.20713  8.23563      1.2923   2.67687  0.225474  2.81352  0.22966   
1 1 1 32 26 31 o 2.05274  0.214145  4.38365      0.879166 4.6706       1.27305  4.12201      1.2156   2.07711  0.306447  1.94864  0.311909  
1 1 1 32 26 32 o 0.932247 0.348169  0.852216     0.872054 2.1797       1.27061  -0.329942    1.19904  1.334    0.424143  0.782027 0.35483   
1 1 1 32 26 33 o 1.9556   0.238933  4.0971       0.934516 4.06137      1.37622  4.12767      1.27302  1.8273   0.38826   1.87216  0.352907  
1 1 1 32 26 34 o 1.57718  0.299267  2.88121      0.909812 2.43819      1.28643  3.32455      1.28691  1.3571   0.426143  1.61275  0.400338  
1 1 1 32 26 35 o 1.63367  0.293373  3.14587      0.923728 3.67638      1.33104  2.65298      1.28298  1.65814  0.404423  1.37811  0.424144  
1 1 1 32 26 36 f 0.866364 0.340852  0.839945     0.864455 0.25822      1.22414  1.41861      1.22091  0.812246 0.363977  1.02705  0.404757  
1 1 1 32 26 37 o 1.48089  0.339747  2.94911      0.985425 2.34703      1.43946  3.48013      1.35186  1.16708  0.444417  1.48044  0.430748  
1 1 1 32 26 38 o 0.560186 0.270996  -0.75195     0.932138 0.421178     1.34013  -1.85143     1.29739  0.77641  0.360252  0.571962 0.28483   
1 1 1 32 26 39 o 0.933623 0.365504  1.49458      0.990536 2.06454      1.44919  0.994826     1.35701  0.982023 0.41863   0.826477 0.375674  
1 1 1 32 27 0  o 3.03373  0.133042  9.26224      0.803697 9.26224      0.803697 9.26224      0.803697 3.03859  0.0937156 ?        ?         
1 1 1 32 27 1  o 9.49073  0.0802487 90.1151      1.52324  90.9153      2.22113  89.4047      2.09295  9.5303   0.11653   9.45124  0.110724  
1 1 1 32 27 2  o 2.49921  0.101243  6.25065      0.506056 5.71398      0.710845 6.80215      0.720597 2.38847  0.148808  2.60628  0.138243  
1 1 1 32 27 3  o 2.56878  0.0895533 6.60255      0.460086 5.9959       0.621846 7.33631      0.683891 2.44718  0.127054  2.70695  0.126321  
1 1 1 32 27 4  o 9.93686  0.0889586 98.8007      1.76794  97.7641      2.45697  99.9136      2.54589  9.8817   0.124319  9.98944  0.127429  
1 1 1 32 27 5  o 7.98295  0.0790907 63.7592      1.26275  64.6425      1.73699  62.7691      1.83898  8.03629  0.108071  7.9184   0.116121  
1 1 1 32 27 6  o 1.94068  0.179002  3.77647      0.694772 3.97984      0.981246 3.57201      0.983871 1.98981  0.246568  1.88452  0.261041  
1 1 1 32 27 7  o 3.44671  0.104875  11.8918      0.722947 11.8437      1.01942  11.9404      1.02541  3.43801  0.148257  3.45201  0.148523  
1 1 1 32 27 8  o 4.71755  0.0869673 22.2722      0.820545 22.4085      1.18877  22.1482      1.13401  4.73003  0.125662  4.70277  0.120569  
1 1 1 32 27 9  o 5.91086  0.079883  34.962       0.944355 36.024       1.34078  33.9166      1.33032  5.99803  0.111769  5.81978  0.114293  
1 1 1 32 27 10 o 4.76355  0.0883844 22.7112      0.842048 23.6218      1.15592  21.6817      1.22912  4.85638  0.11901   4.65182  0.132112  
1 1 1 32 27 11 o 2.46504  0.143696  6.09147      0.708432 6.37852      0.965294 5.75638      1.04295  2.52002  0.191525  2.39242  0.217971  
1 1 1 32 27 12 o 4.25725  0.0830085 18.1407      0.706776 18.0471      0.923515 18.273       1.09806  4.24487  0.10878   4.27004  0.128577  
1 1 1 32 27 13 o 2.26324  0.126657  5.13394      0.573309 5.76053      0.806398 4.49354      0.815237 2.39526  0.168332  2.11418  0.192802  
1 1 1 32 27 14 o 3.51041  0.0909523 12.3386      0.63856  11.4592      0.878962 13.3217      0.929257 3.38071  0.129997  3.64529  0.12746   
1 1 1 32 27 15 o 1.87972  0.132578  3.54395      0.498421 3.52865      0.744428 3.55637      0.671022 1.87213  0.198818  1.8807   0.178396  
1 1 1 32 27 16 o 4.08423  0.0803461 16.7012      0.656304 16.3274      0.928439 17.0746      0.927871 4.03569  0.115028  4.12723  0.112408  
1 1 1 32 27 17 o 5.15894  0.0764044 26.6464      0.788332 27.3694      1.11701  25.9288      1.11274  5.22552  0.10688   5.08586  0.109396  
1 1 1 32 27 18 o 6.41259  0.0757959 41.1737      0.972096 41.3502      1.37436  40.9971      1.37514  6.4223   0.106999  6.39474  0.107521  
1 1 1 32 27 19 o 2.44465  0.118929  5.99753      0.581478 6.20854      0.827536 5.79176      0.817228 2.48308  0.166635  2.3979   0.170405  
1 1 1 32 27 20 o 5.4362   0.0807811 29.607       0.878284 29.7181      1.2211   29.4879      1.26418  5.44179  0.112197  5.41991  0.116624  
1 1 1 32 27 21 o 1.21648  0.272398  1.57181      0.646128 1.44865      0.909912 1.69707      0.917665 1.17416  0.356356  1.25933  0.351252  
1 1 1 32 27 22 o 1.62427  0.207915  2.67834      0.67542  2.75654      0.97159  2.6052       0.93959  1.60753  0.313382  1.56222  0.311761  
1 1 1 32 27 23 o 4.83342  0.100392  23.4463      0.970474 23.6022      1.36003  23.2845      1.38523  4.84095  0.140471  4.80737  0.144074  
1 1 1 32 27 24 o 6.33135  0.0891959 40.213       1.12946  39.0535      1.55655  41.5023      1.64142  6.22986  0.124927  6.42128  0.127811  
1 1 1 32 27 25 o 2.33023  0.156779  5.49382      0.730663 5.80992      1.03462  5.1793       1.03201  2.38379  0.217011  2.24777  0.229563  
1 1 1 32 27 26 o 1.76752  0.207577  3.19543      0.733794 3.39656      1.05712  3.0084       1.01939  1.80227  0.293274  1.66667  0.317243  
1 1 1 32 27 27 o 1.99971  0.196457  4.08992      0.785714 4.72698      1.12351  3.48011      1.09922  2.13087  0.263628  1.81706  0.302473  
1 1 1 32 27 28 o 1.71748  0.239171  3.06042      0.821539 3.16846      1.12635  2.93761      1.2009   1.68936  0.345295  1.61085  0.378709  
1 1 1 32 27 29 o 2.55551  0.168719  6.6701       0.862325 8.58202      1.20278  4.64798      1.23696  2.8829   0.208606  2.08842  0.296148  
1 1 1 32 27 30 o 2.16337  0.203473  4.83675      0.880376 4.29104      1.24055  5.39043      1.24958  1.99508  0.310903  2.25282  0.277337  
1 1 1 32 27 31 o 0.960393 0.340866  0.946905     0.823696 0.702269     1.13132  1.22289      1.20162  0.958117 0.385354  1.0932   0.408615  
1 1 1 32 27 32 o 1.9189   0.233774  3.91716      0.897177 3.63856      1.33983  4.14362      1.20799  1.73026  0.395615  1.92807  0.313262  
1 1 1 32 27 33 o 2.58301  0.187221  6.98039      0.967185 6.80016      1.39806  7.14583      1.33944  2.48051  0.281808  2.55963  0.261646  
1 1 1 32 27 34 o 1.42151  0.333201  2.45387      0.931797 1.99695      1.283    2.96391      1.35551  1.22297  0.426259  1.4757   0.431961  
1 1 1 32 27 35 o 1.12901  0.347686  1.62731      0.861945 1.77273      1.26294  1.5005       1.1793   1.13981  0.420313  1.07462  0.404182  
1 1 1 32 27 36 o 0.667637 0.305672  -0.151404    0.926517 0.734055     1.32356  -1.00222     1.29741  0.888241 0.389514  0.671027 0.323639  
1 1 1 32 27 37 o 1.29566  0.3667    2.42839      0.993041 4.31554      1.46264  0.814619     1.35256  1.64218  0.437383  0.876884 0.388372  
1 1 1 32 27 38 o 1.02141  0.366014  1.75689      0.951744 1.67027      1.3449   1.84379      1.34704  0.938232 0.401727  0.968635 0.407838  
1 1 1 32 27 39 o 0.838075 0.355021  1.22198      1.03099  3.64734      1.4665   -1.14822     1.44972  1.23297  0.45309   0.617478 0.306603  
1 1 1 32 28 0  o 1.72966  0.22441   3.1457       0.747038 3.1457       0.747038 3.1457       0.747038 1.75296  0.15337   ?        ?         
1 1 1 32 28 1  o 7.26074  0.0708806 52.7397      1.02929  53.3018      1.44297  52.1574      1.46865  7.2979   0.0988617 7.21896  0.101721  
1 1 1 32 28 2  o 4.83989  0.0689328 23.4337      0.667255 24.8043      0.956098 22.1323      0.931659 4.97849  0.0960229 4.70259  0.0990581 
1 1 1 32 28 3  o 5.27326  0.0677979 27.8181      0.715033 27.4966      0.996469 28.1594      1.02662  5.2417   0.0950521 5.30443  0.0967703 
1 1 1 32 28 4  o 10.9042  0.0935885 118.994      2.04102  118.259      2.73614  119.916      3.06457  10.8671  0.125892  10.9411  0.140048  
1 1 1 32 28 5  o 2.46149  0.140779  6.07013      0.693055 5.55672      0.93815  6.68695      1.0283   2.35293  0.199358  2.58116  0.199193  
1 1 1 32 28 6  o 2.23415  0.160584  5.00428      0.717536 5.56013      0.980631 4.36374      1.0527   2.35293  0.208385  2.08237  0.252764  
1 1 1 32 28 7  o 1.91552  0.175202  3.68102      0.671202 2.07224      0.925349 5.46724      0.975047 1.40354  0.334023  2.33291  0.208977  
1 1 1 32 28 8  o 8.30739  0.0865845 69.0691      1.43858  68.8139      1.99777  69.344       2.07325  8.28886  0.120509  8.32028  0.12459   
1 1 1 32 28 9  o 4.2908   0.0944653 18.4297      0.810663 18.1824      1.10626  18.7165      1.19137  4.25997  0.129843  4.32155  0.13784   
1 1 1 32 28 10 o 6.89939  0.084273  47.6431      1.16286  48.4872      1.63007  46.7684      1.6594   6.9574   0.117146  6.83254  0.121434  
1 1 1 32 28 11 o 4.71744  0.0887755 22.2777      0.837586 22.3228      1.19181  22.2338      1.17737  4.71966  0.126261  4.71034  0.124977  
1 1 1 32 28 12 o 1.41308  0.226482  2.01145      0.640074 2.59819      0.894241 1.39504      0.916575 1.57733  0.294411  1.16848  0.358269  
1 1 1 32 28 13 o 5.67244  0.0756217 32.2048      0.857919 32.5228      1.25764  31.9279      1.17331  5.6975   0.110368  5.64576  0.10391   
1 1 1 32 28 14 o 3.62626  0.0890205 13.1674      0.645623 13.2944      0.895577 13.0299      0.931584 3.64146  0.122969  3.60457  0.129223  
1 1 1 32 28 15 o 2.53245  0.104015  6.42621      0.526824 6.6556       0.762015 6.21618      0.729154 2.5746   0.147987  2.48826  0.146519  
1 1 1 32 28 16 o 2.79142  0.101142  7.80812      0.564662 8.51176      0.807293 7.13415      0.790091 2.91188  0.138621  2.66511  0.148229  
1 1 1 32 28 17 o 6.0223   0.0751711 36.3125      0.905406 36.3721      1.28862  36.2544      1.27241  6.02352  0.106966  6.01393  0.105788  
1 1 1 32 28 18 o 2.75683  0.106459  7.62098      0.58698  7.24031      0.819919 8.0212       0.8407   2.68322  0.152786  2.82462  0.148817  
1 1 1 32 28 19 o 5.18262  0.0793942 26.9063      0.82294  25.9119      1.1342   28.0118      1.19587  5.08171  0.111597  5.28336  0.113173  
1 1 1 32 28 20 f 5.20261  0.0804094 27.1199      0.836678 26.4796      1.17236  27.7844      1.19443  5.1358   0.114136  5.26092  0.113519  
1 1 1 32 28 21 o 3.30673  0.113622  10.9816      0.751433 10.4206      1.03195  11.6147      1.09635  3.21414  0.160532  3.39312  0.161555  
1 1 1 32 28 22 o 2.50388  0.148596  6.31912      0.744132 5.94026      1.06774  6.67692      1.03763  2.416    0.220972  2.56505  0.202263  
1 1 1 32 28 23 o 3.67922  0.111517  13.6018      0.82059  12.9537      1.13264  14.3178      1.1905   3.58181  0.15811   3.7657   0.158071  
1 1 1 32 28 24 o 2.98556  0.123808  8.97068      0.739273 7.87175      1.00303  10.2776      1.09384  2.78669  0.179968  3.18612  0.171657  
1 1 1 32 28 25 o 3.80791  0.108148  14.5858      0.823633 12.7284      1.15968  16.4762      1.16997  3.54387  0.163618  4.0378   0.144877  
1 1 1 32 28 26 o 2.95531  0.138411  8.82944      0.818093 8.10276      1.21564  9.43097      1.10603  2.80906  0.216379  3.04229  0.181775  
1 1 1 32 28 27 o 2.67657  0.151324  7.26531      0.810058 6.24705      1.12575  8.35869      1.16653  2.45959  0.228848  2.85423  0.204351  
1 1 1 32 28 28 o 2.02622  0.201488  4.2236       0.816518 4.00666      1.11967  4.47001      1.1933   1.94553  0.287755  2.05385  0.290504  
1 1 1 32 28 29 o 1.11515  0.339123  1.37657      0.823485 0.617624     1.1377   2.21174      1.19347  0.952713 0.385089  1.38214  0.405558  
1 1 1 32 28 30 o 0.75347  0.31822   0.179903     0.824245 0.582434     1.17687  -0.20765     1.15476  0.947374 0.388512  0.79684  0.355382  
1 1 1 32 28 31 o 1.09221  0.344319  1.35921      0.838745 1.34991      1.15479  1.36959      1.22025  1.11045  0.402647  1.12182  0.413199  
1 1 1 32 28 32 o 2.04599  0.210099  4.41367      0.859722 4.80059      1.23627  4.05132      1.19637  2.08111  0.297022  1.90041  0.314767  
1 1 1 32 28 33 o 1.85728  0.258057  3.77851      0.958569 1.81061      1.42326  5.41223      1.29679  1.19785  0.445305  2.19337  0.295617  
1 1 1 32 28 34 o 1.06142  0.356841  1.40942      0.895915 0.41678      1.25394  2.44458      1.28051  0.870388 0.380425  1.32534  0.42624   
1 1 1 32 28 35 o 1.12018  0.347307  1.62573      0.858112 2.47478      1.25782  0.886512     1.17366  1.30913  0.422588  0.925517 0.384651  
1 1 1 32 28 36 o 1.00649  0.360858  1.42144      0.925231 1.11341      1.29841  1.73921      1.31877  0.934942 0.397336  1.05726  0.419396  
1 1 1 32 28 37 o 1.65999  0.304997  3.62055      0.97473  4.61728      1.39731  2.6758       1.36039  1.70912  0.412821  1.20479  0.437007  
1 1 1 32 28 38 o 0.714098 0.320497  0.445044     0.952434 0.724113     1.30482  0.126779     1.39344  0.78932  0.361952  0.729893 0.347939  
1 1 1 32 28 39 f 0.546906 0.266949  -0.593913    0.959226 -2.62452     1.36522  1.38589      1.34804  0.507402 0.258111  0.797427 0.366603  
1 1 1 32 29 0  o 1.99587  0.180385  4.08617      0.706525 4.08617      0.706525 4.08617      0.706525 2.00903  0.125457  ?        ?         
1 1 1 32 29 1  o 3.15412  0.0837153 9.95508      0.528096 8.8613       0.723793 11.2002      0.772239 2.97471  0.121658  3.34455  0.115447  
1 1 1 32 29 2  o 6.55569  0.0688163 42.9968      0.902277 42.9757      1.25764  43.0191      1.29521  6.55268  0.0959642 6.55581  0.0987833 
1 1 1 32 29 3  o 3.42792  0.0772646 11.7577      0.529714 11.9622      0.710361 11.5016      0.795027 3.45682  0.102748  3.38908  0.117293  
1 1 1 32 29 4  o 4.29672  0.0826598 18.4749      0.710333 19.0347      1.02227  17.9523      0.987743 4.35981  0.117238  4.23406  0.116643  
1 1 1 32 29 5  o 6.38134  0.0833226 40.7514      1.06342  41.7309      1.516    39.8026      1.49209  6.45526  0.117424  6.30429  0.118339  
1 1 1 32 29 6  o 5.98956  0.0874343 35.9048      1.04739  35.7753      1.45097  36.0456      1.51346  5.97646  0.12139   5.99862  0.126151  
1 1 1 32 29 7  o 2.66664  0.130648  7.12464      0.696781 5.60162      0.934271 9.03355      1.04595  2.36156  0.197808  3.00044  0.1743    
1 1 1 32 29 8  o 3.88016  0.0966535 15.0723      0.750062 14.668       1.05525  15.4852      1.06634  3.82555  0.137921  3.93082  0.135638  
1 1 1 32 29 9  o 2.19791  0.151691  4.84494      0.666808 5.78763      0.941837 3.89755      0.944185 2.39987  0.196226  1.96702  0.240004  
1 1 1 32 29 10 o 3.77038  0.0983584 14.2346      0.741697 15.0838      1.04653  13.3777      1.05132  3.87894  0.134899  3.65237  0.143923  
1 1 1 32 29 11 o 9.72298  0.0943095 94.6581      1.83394  94.9182      2.52506  94.3678      2.668    9.73067  0.129748  9.70095  0.137512  
1 1 1 32 29 12 o 1.3338   0.248277  1.85282      0.637588 1.62451      0.92193  2.06213      0.882719 1.24591  0.353553  1.39757  0.322184  
1 1 1 32 29 13 o 7.64488  0.0871857 58.5194      1.33305  60.8579      1.89438  56.2256      1.87618  7.79134  0.12157   7.48836  0.125273  
1 1 1 32 29 14 o 3.98935  0.0878553 15.9376      0.700972 17.0601      1.03564  14.9887      0.952252 4.12437  0.125551  3.86609  0.123154  
1 1 1 32 29 15 o 4.24861  0.0775242 18.0724      0.65874  18.9589      0.908209 17.0883      0.956894 4.34946  0.104405  4.12827  0.115895  
1 1 1 32 29 16 o 6.55621  0.0729761 43.0325      0.956893 42.5651      1.35611  43.4961      1.35041  6.51675  0.104048  6.58785  0.102492  
1 1 1 32 29 17 o 2.10904  0.126479  4.46483      0.533498 4.93105      0.748755 3.98406      0.760339 2.21315  0.169161  1.98746  0.191284  
1 1 1 32 29 18 o 3.36267  0.0940544 11.3343      0.632547 11.7405      0.893263 10.9258      0.895857 3.41869  0.130644  3.29734  0.135845  
1 1 1 32 29 19 o 0.710232 0.277274  0.322882     0.569222 0.585757     0.79605  0.0478411    0.814263 0.875269 0.33131   0.741635 0.314904  
1 1 1 32 29 20 o 3.14892  0.106737  9.95188      0.672211 10.3353      0.924271 9.52136      0.979424 3.20405  0.144235  3.07303  0.159358  
1 1 1 32 29 21 o 3.55298  0.110172  12.679       0.782879 13.0556      1.11567  12.3137      1.09883  3.59758  0.155059  3.49344  0.157271  
1 1 1 32 29 22 o 4.42663  0.0968131 19.6626      0.857112 19.1876      1.18074  20.1917      1.24619  4.3656   0.135232  4.47748  0.139162  
1 1 1 32 29 23 o 1.31168  0.278803  1.83789      0.709418 1.90214      0.981872 1.76771      1.02613  1.32249  0.361149  1.27957  0.376242  
1 1 1 32 29 24 o 1.75701  0.197672  3.14679      0.694625 3.90633      1.00165  2.44311      0.964116 1.94505  0.257488  1.49644  0.330954  
1 1 1 32 29 25 o 3.75793  0.111724  14.2163      0.839701 14.3447      1.22542  14.1028      1.15293  3.76074  0.162922  3.73154  0.154484  
1 1 1 32 29 26 o 2.66969  0.148767  7.22049      0.794324 7.79112      1.0948   6.58623      1.15424  2.75931  0.198384  2.52768  0.22832   
1 1 1 32 29 27 o 2.55934  0.16139   6.66194      0.826101 7.27093      1.16151  6.03854      1.17518  2.655    0.21874   2.41068  0.243745  
1 1 1 32 29 28 o 2.44011  0.170935  6.08443      0.834201 5.4073       1.1308   6.89292      1.23563  2.27341  0.248702  2.57054  0.240346  
1 1 1 32 29 29 o 1.47338  0.301415  2.39698      0.857542 3.26157      1.23054  1.58065      1.1957   1.68734  0.374508  1.19787  0.412077  
1 1 1 32 29 30 o 2.40164  0.178023  5.93305      0.855094 7.52382      1.18441  4.20122      1.2358   2.68445  0.220605  1.96354  0.314687  
1 1 1 32 29 31 o 0.923753 0.343403  0.850538     0.846392 1.88547      1.20458  -0.158676    1.18952  1.24707  0.41377   0.800962 0.35886   
1 1 1 32 29 32 o 2.15723  0.200615  4.8944       0.865543 4.31004      1.25535  5.42393      1.195    1.94979  0.32192   2.22784  0.268198  
1 1 1 32 29 33 o 0.833308 0.341748  0.539649     0.910639 1.46927      1.33348  -0.27276     1.24658  1.10294  0.425657  0.7794   0.355888  
1 1 1 32 29 34 o 0.66462  0.3019    -0.181943    0.873127 -0.647884    1.25344  0.257258     1.21694  0.719702 0.33805   0.832779 0.36867   
1 1 1 32 29 35 o 0.547427 0.264692  -0.997998    0.885059 0.648587     1.25534  -2.6254      1.24801  0.875096 0.381576  0.543359 0.27168   
1 1 1 32 29 36 o 0.831533 0.342523  0.779126     0.918779 -0.617763    1.279    2.26861      1.32071  0.692164 0.330758  1.1681   0.429908  
1 1 1 32 29 37 o 1.48266  0.324996  3.0988       0.937374 3.03326      1.32115  3.16523      1.33019  1.25927  0.433159  1.28963  0.434809  
1 1 1 32 29 38 o 0.771291 0.330745  0.780842     0.91403  0.629981     1.30038  0.928161     1.28502  0.77388  0.357461  0.812131 0.36797   
1 1 1 32 30 0  o 16.6548  0.174394  277.924      5.80758  277.924      5.80758  277.924      5.80758  16.663   0.12324   ?        ?         
1 1 1 32 30 1  o 8.13075  0.0739365 66.1478      1.20232  65.9491      1.66862  66.3623      1.73393  8.11634  0.102794  8.14139  0.106489  
1 1 1 32 30 2  o 6.9423   0.0695087 48.2206      0.965101 49.2063      1.33357  47.1367      1.39846  7.01131  0.0951012 6.86179  0.101902  
1 1 1 32 30 3  o 1.62883  0.132337  2.65815      0.431108 3.05107      0.593236 2.21842      0.627569 1.74398  0.170081  1.48583  0.211185  
1 1 1 32 30 4  o 4.17753  0.0831528 17.4652      0.694747 17.3539      0.956913 17.5893      1.0103   4.16274  0.114938  4.19057  0.120545  
1 1 1 32 30 5  o 4.75767  0.085501  22.6543      0.813572 22.2927      1.1333   23.0388      1.16864  4.71763  0.120113  4.79581  0.12184   
1 1 1 32 30 6  o 2.68699  0.12969   7.23429      0.69695  7.36766      0.966542 7.08984      1.00591  2.70922  0.17838   2.65701  0.189293  
1 1 1 32 30 7  f 7.42855  0.0821717 55.23        1.22083  55.5034      1.70338  54.9412      1.75063  7.44396  0.114414  7.40575  0.118194  
1 1 1 32 30 8  o 4.25503  0.0916729 18.1255      0.780141 17.2919      1.08499  19.0179      1.12254  4.15363  0.130607  4.35613  0.128846  
1 1 1 32 30 9  o 5.99492  0.0822468 35.9732      0.986127 35.9274      1.37744  36.0213      1.4124   5.98838  0.11501   5.99593  0.11778   
1 1 1 32 30 10 f 4.49066  0.0917442 20.191       0.823983 20.8527      1.18751  19.5766      1.14427  4.56073  0.130188  4.41904  0.129471  
1 1 1 32 30 11 o 9.80787  0.0947339 96.3301      1.85828  100.517      2.7725   92.9152      2.50396  10.0106  0.138479  9.62631  0.130058  
1 1 1 32 30 12 o 4.21113  0.0932644 17.76        0.785496 18.4453      1.14497  17.1507      1.07963  4.28821  0.133502  4.13527  0.130539  
1 1 1 32 30 13 o 8.30725  0.0896822 69.1134      1.49002  69.371       2.16701  68.8824      2.05211  8.31582  0.130295  8.28775  0.123804  
1 1 1 32 30 14 o 4.08009  0.0953633 16.6774      0.778181 14.9461      1.07526  18.5814      1.12764  3.85857  0.139334  4.30327  0.131021  
1 1 1 32 30 15 o 5.75263  0.0807535 33.1384      0.92909  32.0157      1.37866  34.0725      1.25754  5.64943  0.122018  5.83006  0.10785   
1 1 1 32 30 16 f 3.54362  0.0838561 12.5778      0.594309 12.9344      0.84537  12.2293      0.835673 3.59068  0.117717  3.49125  0.119681  
1 1 1 32 30 17 o 4.03548  0.0818339 16.3135      0.660477 16.8999      0.940452 15.7428      0.927789 4.10397  0.114578  3.96068  0.117125  
1 1 1 32 30 18 o 6.07964  0.080617  37.0312      0.980244 36.7177      1.35448  37.3758      1.42042  6.0487   0.111965  6.10178  0.116394  
1 1 1 32 30 19 o 5.03221  0.0828641 25.3775      0.833979 26.8032      1.16558  23.882       1.19377  5.16685  0.112794  4.87544  0.122427  
1 1 1 32 30 20 f 5.24292  0.0832244 27.5547      0.872677 26.9324      1.21892  28.2092      1.24997  5.17703  0.117724  5.29827  0.11796   
1 1 1 32 30 21 o 3.43931  0.112139  11.882       0.771361 11.887       1.06256  11.8764      1.12157  3.43294  0.15476   3.4297   0.163508  
1 1 1 32 30 22 o 1.97827  0.178423  3.96282      0.705936 4.26684      1.01784  3.68104      0.979927 2.04066  0.24939   1.89367  0.258737  
1 1 1 32 30 23 f 4.08725  0.107771  16.7909      0.880976 17.3323      1.26208  16.2763      1.2303   4.14206  0.15235   4.01365  0.153264  
1 1 1 32 30 24 o 1.28849  0.28642   1.79237      0.71874  0.570558     1.03091  2.94797      1.00259  0.930498 0.370273  1.65209  0.314748  
1 1 1 32 30 25 o 4.58896  0.103643  21.1885      0.951229 19.239       1.3172   23.3133      1.37515  4.35763  0.151137  4.80008  0.143243  
1 1 1 32 30 26 o 3.214    0.12743   10.4338      0.819121 11.7174      1.1582   9.14921      1.15862  3.39225  0.170713  2.98982  0.193761  
1 1 1 32 30 27 o 3.37966  0.130582  11.5602      0.882643 10.7012      1.19231  12.6017      1.31288  3.23259  0.18442   3.50666  0.187198  
1 1 1 32 30 28 o 1.9786   0.216027  4.05396      0.854863 3.94256      1.18778  4.17367      1.23131  1.91668  0.309854  1.97096  0.312362  
1 1 1 32 30 29 o 1.45015  0.299414  2.3357       0.838774 2.66937      1.19807  2.01492      1.17469  1.50728  0.393304  1.31245  0.406238  
1 1 1 32 30 30 o 2.53818  0.178891  6.65339      0.908118 7.98616      1.2701   5.25941      1.29893  2.75246  0.23072   2.19783  0.295503  
1 1 1 32 30 31 o 0.804394 0.324415  0.471386     0.804912 0.225385     1.13522  0.72009      1.14144  0.845111 0.365609  0.943901 0.384106  
1 1 1 32 30 32 o 0.623551 0.285034  -0.353292    0.802063 -1.97349     1.1769   1.05181      1.096    0.587249 0.289047  0.999598 0.385871  
1 1 1 32 30 33 o 1.62654  0.307343  3.13102      0.96335  3.79626      1.39696  2.5278       1.33025  1.68546  0.416322  1.34861  0.43451   
1 1 1 32 30 34 o 1.56322  0.292388  2.90144      0.880257 2.29439      1.24542  3.50742      1.24432  1.2729   0.420726  1.62606  0.387565  
1 1 1 32 30 35 o 0.733112 0.326747  0.192298     0.974744 1.22679      1.30476  -1.11426     1.46633  0.965339 0.403657  0.69829  0.338167  
1 1 1 32 30 36 o 1.19155  0.35974   2.05725      0.928899 1.89555      1.29998  2.22595      1.32779  1.0704   0.418788  1.14147  0.428962  
1 1 1 32 30 37 o 0.649581 0.299721  0.0739058    0.910998 0.856906     1.28765  -0.710778    1.28904  0.80838  0.367048  0.640455 0.312042  
1 1 1 32 30 38 o 0.726219 0.323865  0.670114     0.958886 2.11332      1.36239  -0.746621    1.34984  0.943555 0.404179  0.622043 0.306374  
1 1 1 32 31 0  o 2.84174  0.126118  8.13046      0.713578 8.13046      0.713578 8.13046      0.713578 2.8466   0.0888236 ?        ?         
1 1 1 32 31 1  o 4.69892  0.0693307 22.0921      0.65156  22.1624      0.896157 22.0134      0.949001 4.70521  0.0952302 4.68906  0.101193  
1 1 1 32 31 2  o 7.54908  0.0713013 57.0225      1.07652  56.7107      1.51317  57.3421      1.53185  7.52618  0.100527  7.5679   0.101207  
1 1 1 32 31 3  o 4.9189   0.0679799 24.2089      0.668773 23.7463      0.941342 24.6803      0.950296 4.8703   0.0966411 4.96521  0.0956955 
1 1 1 32 31 4  o 4.63251  0.0881448 21.4807      0.816665 21.2041      1.1597   21.7527      1.15023  4.6003   0.126046  4.65961  0.123426  
1 1 1 32 31 5  o 4.32819  0.0924565 18.7536      0.800338 18.5404      1.14549  18.9569      1.11868  4.301    0.133166  4.34937  0.128603  
1 1 1 32 31 6  o 4.39099  0.0908176 19.302       0.797558 21.1136      1.1428   17.5819      1.1136   4.5902   0.124483  4.18813  0.132947  
1 1 1 32 31 7  o 3.64148  0.0986443 13.2783      0.718422 14.2923      1.03596  12.3389      0.997158 3.77556  0.137193  3.50774  0.142137  
1 1 1 32 31 8  o 3.34855  0.107684  11.2316      0.721167 13.0269      1.04311  9.5877       0.998146 3.60379  0.144724  3.09054  0.161484  
1 1 1 32 31 9  o 3.65559  0.0999706 13.3836      0.730904 14.4771      1.04629  12.3413      1.02146  3.79937  0.137693  3.50734  0.145618  
1 1 1 32 31 10 o 8.07623  0.0879585 65.3071      1.42075  67.9784      2.12813  63.1593      1.90827  8.23368  0.129234  7.93792  0.1202    
1 1 1 32 31 11 o 0.986918 0.29701   0.998328     0.633865 0.0857537    0.893795 1.92171      0.89907  0.78837  0.332089  1.34672  0.334812  
1 1 1 32 31 12 o 6.24037  0.0849261 38.9949      1.05994  40.0243      1.50008  37.9685      1.49789  6.31812  0.118712  6.15331  0.121714  
1 1 1 32 31 13 o 3.56118  0.105411  12.7102      0.750772 13.5469      1.0635   11.879       1.06001  3.67293  0.144776  3.43844  0.154141  
1 1 1 32 31 14 o 2.37924  0.135735  5.68282      0.645894 7.07865      0.927128 4.36653      0.900325 2.6521   0.174792  2.07944  0.216483  
1 1 1 32 31 15 o 0.819541 0.25596   0.677767     0.464944 0.494539     0.688726 0.831189     0.630222 0.814284 0.308185  0.917414 0.299287  
1 1 1 32 31 16 f 2.2526   0.116654  5.09193      0.525549 5.00977      0.745022 5.1733       0.741468 2.23032  0.167022  2.26676  0.163553  
1 1 1 32 31 17 f 1.75801  0.152569  3.11101      0.536434 3.29472      0.748592 2.9171       0.769088 1.80424  0.207454  1.69572  0.226773  
1 1 1 32 31 18 o 3.15121  0.0999924 9.96054      0.630193 9.34182      0.887134 10.5908      0.895378 3.04654  0.145597  3.24488  0.137968  
1 1 1 32 31 19 o 5.84437  0.087058  34.2442      1.0176   36.805       1.43499  31.6538      1.44325  6.0522   0.118551  5.61034  0.128624  
1 1 1 32 31 20 o 2.50171  0.1358    6.30001      0.679465 7.24457      0.936961 5.25231      0.986791 2.67677  0.175017  2.27248  0.217118  
1 1 1 32 31 21 o 1.22877  0.275956  1.61247      0.661525 1.8081       0.922163 1.40506      0.949511 1.29241  0.348691  1.15811  0.366495  
1 1 1 32 31 22 o 3.49485  0.116068  12.2803      0.811277 10.5973      1.15929  13.8955      1.13571  3.23422  0.179223  3.70998  0.153061  
1 1 1 32 31 23 o 0.509275 0.241309  -0.762425    0.660586 -2.05322     0.92791  0.564029     0.94064  0.5026   0.24868   0.902811 0.355439  
1 1 1 32 31 24 o 5.58968  0.0968052 31.4051      1.08222  31.5369      1.53468  31.2748      1.52634  5.58683  0.137348  5.56364  0.137171  
1 1 1 32 31 25 o 0.680588 0.293362  -0.00602582  0.725847 1.00954      1.02676  -1.02059     1.02625  1.03588  0.379271  0.645546 0.303992  
1 1 1 32 31 26 o 0.841864 0.317123  0.59754      0.726526 -0.120118    1.03256  1.3012       1.02244  0.779659 0.342955  1.11326  0.381207  
1 1 1 32 31 27 o 0.764744 0.317475  0.246425     0.798114 0.539568     1.0975   -0.0826023   1.16273  0.926081 0.376711  0.82712  0.363881  
1 1 1 32 31 28 o 2.02187  0.203699  4.22227      0.823704 5.82772      1.20292  2.80492      1.13026  2.35398  0.255509  1.5661   0.366895  
1 1 1 32 31 29 o 0.811613 0.327505  0.426952     0.82095  0.389173     1.16488  0.464232     1.15716  0.903695 0.379819  0.916692 0.381521  
1 1 1 32 31 30 o 0.654568 0.294931  -0.243222    0.8142   0.00849526   1.1558   -0.491184    1.14715  0.818437 0.361192  0.740029 0.339362  
1 1 1 32 31 31 o 0.877282 0.335332  0.730281     0.822097 0.351651     1.18006  1.08733      1.14593  0.876226 0.375777  1.02358  0.394682  
1 1 1 32 31 32 o 1.63301  0.257861  2.93692      0.842181 3.59869      1.19182  2.27693      1.19023  1.7164   0.358828  1.32155  0.408888  
1 1 1 32 31 33 o 0.759637 0.328822  0.251709     0.919282 -0.814432    1.31549  1.26926      1.28516  0.720216 0.340913  1.03146  0.412432  
1 1 1 32 31 34 o 0.62585  0.290964  -0.381153    0.879718 -1.35136     1.23866  0.606333     1.24964  0.633458 0.307979  0.874135 0.380937  
1 1 1 32 31 35 o 0.64851  0.301406  -0.256181    0.943057 -0.145764    1.33143  -0.367348    1.33595  0.755082 0.353524  0.73197  0.345318  
1 1 1 32 31 36 o 0.752624 0.323913  0.599988     0.882289 -0.0129329   1.22802  1.25392      1.26845  0.714821 0.335539  0.898871 0.387635  
1 1 1 32 31 37 o 1.21428  0.367383  2.41122      0.9681   1.8218       1.37646  2.98821      1.36186  0.955513 0.40768   1.19877  0.437005  
1 1 1 32 32 0  o 11.095   0.173147  123.429      3.84004  123.429      3.84004  123.429      3.84004  11.1024  0.122318  ?        ?         
1 1 1 32 32 1  o 1.57751  0.212304  2.6279       0.642825 2.6279       0.642825 2.6279       0.642825 1.60071  0.144702  ?        ?         
1 1 1 32 32 2  o 2.65252  0.128828  7.09313      0.679761 7.09313      0.679761 7.09313      0.679761 2.65795  0.0906591 ?        ?         
1 1 1 32 32 3  o 0.604255 0.337071  0.508176     0.598394 0.508176     0.598394 0.508176     0.598394 0.584689 0.29516   ?        ?         
1 1 1 32 32 4  o 3.74042  0.139181  14.0673      1.03792  14.0673      1.03792  14.0673      1.03792  3.74555  0.0981244 ?        ?         
1 1 1 32 32 5  o 0.962291 0.440933  1.36563      0.920099 1.36563      0.920099 1.36563      0.920099 1.02005  0.353998  ?        ?         
1 1 1 32 32 6  o 4.47723  0.127621  20.118       1.14068  20.118       1.14068  20.118       1.14068  4.48127  0.0900769 ?        ?         
1 1 1 32 32 7  o 8.84561  0.126666  78.3871      2.23985  78.3871      2.23985  78.3871      2.23985  8.8496   0.0895054 ?        ?         
1 1 1 32 32 8  o 0.521934 0.342558  -0.0634149   0.863383 -0.0634149   0.863383 -0.0634149   0.863383 0.435423 0.286658  ?        ?         
1 1 1 32 32 9  o 5.01222  0.119722  25.1954      1.1986   25.1954      1.1986   25.1954      1.1986   5.01586  0.0845398 ?        ?         
1 1 1 32 32 10 o 13.7938  0.176601  190.894      4.87019  190.894      4.87019  190.894      4.87019  13.8051  0.12475   ?        ?         
1 1 1 32 32 11 o 2.13992  0.218513  4.74086      0.912855 4.74086      0.912855 4.74086      0.912855 2.15933  0.151166  ?        ?         
1 1 1 32 32 12 f 8.74717  0.139171  76.7207      2.43331  76.7207      2.43331  76.7207      2.43331  8.75312  0.0983133 ?        ?         
1 1 1 32 32 13 o 0.426131 0.296399  -0.659152    0.855404 -0.659152    0.855404 -0.659152    0.855404 0.331694 0.235432  ?        ?         
1 1 1 32 32 14 o 6.07245  0.133502  37.0037      1.6196   37.0037      1.6196   37.0037      1.6196   6.07777  0.094266  ?        ?         
1 1 1 32 32 15 o 6.16037  0.117428  38.0582      1.44562  38.0582      1.44562  38.0582      1.44562  6.16477  0.082941  ?        ?         
1 1 1 32 32 16 o 0.468122 0.308358  -0.0679633   0.707748 -0.0679633   0.707748 -0.0679633   0.707748 0.389753 0.257695  ?        ?         
1 1 1 32 32 17 o 0.53448  0.337672  0.166425     0.751539 0.166425     0.751539 0.166425     0.751539 0.464764 0.289733  ?        ?         
1 1 1 32 32 18 o 4.59268  0.111056  21.1724      1.01874  21.1724      1.01874  21.1724      1.01874  4.59699  0.0784022 ?        ?         
1 1 1 32 32 19 o 5.94988  0.120712  35.5376      1.43511  35.5376      1.43511  35.5376      1.43511  5.95559  0.0852346 ?        ?         
1 1 1 32 32 20 o 1.98873  0.242164  4.16824      0.930923 4.16824      0.930923 4.16824      0.930923 2.01648  0.165799  ?        ?         
1 1 1 32 32 21 o 0.932845 0.432837  1.31347      0.887895 1.31347      0.887895 1.31347      0.887895 0.992839 0.349246  ?        ?         
1 1 1 32 32 22 o 2.72305  0.196973  7.59752      1.05984  7.59752      1.05984  7.59752      1.05984  2.74001  0.137545  ?        ?         
1 1 1 32 32 23 o 1.65867  0.310672  3.07814      0.923265 3.07814      0.923265 3.07814      0.923265 1.7136   0.196353  ?        ?         
1 1 1 32 32 24 f 3.49656  0.169882  12.4137      1.18161  12.4137      1.18161  12.4137      1.18161  3.51002  0.119333  ?        ?         
1 1 1 32 32 25 o 4.54422  0.139676  20.8344      1.26672  20.8344      1.26672  20.8344      1.26672  4.5543   0.09844   ?        ?         
1 1 1 32 32 26 o 3.33345  0.176592  11.3284      1.16977  11.3284      1.16977  11.3284      1.16977  3.34978  0.123848  ?        ?         
1 1 1 32 32 27 o 1.38847  0.479875  2.6492       1.19872  2.6492       1.19872  2.6492       1.19872  1.51687  0.317212  ?        ?         
1 1 1 32 32 28 o 1.97747  0.318849  4.35216      1.1622   4.35216      1.1622   4.35216      1.1622   2.03763  0.206518  ?        ?         
1 1 1 32 32 29 o 0.68705  0.428181  0.513873     1.15957  0.513873     1.15957  0.513873     1.15957  0.62748  0.375427  ?        ?         
1 1 1 32 32 30 o 0.595131 0.391734  0.0668962    1.13945  0.0668962    1.13945  0.0668962    1.13945  0.512547 0.334165  ?        ?         
1 1 1 32 32 31 o 0.61001  0.395444  0.217081     1.10864  0.217081     1.10864  0.217081     1.10864  0.536574 0.341771  ?        ?         
1 1 1 32 32 32 o 0.598342 0.39316   0.158192     1.14112  0.158192     1.14112  0.158192     1.14112  0.523723 0.338756  ?        ?         
1 1 1 32 32 33 o 0.671211 0.427381  0.538882     1.22492  0.538882     1.22492  0.538882     1.22492  0.619363 0.377965  ?        ?         
1 1 1 32 32 34 o 1.05119  0.503616  2.08116      1.20944  2.08116      1.20944  2.08116      1.20944  1.20232  0.400514  ?        ?         
1 1 1 32 32 35 o 0.685814 0.441298  0.738912     1.34281  0.738912     1.34281  0.738912     1.34281  0.655449 0.397964  ?        ?         
1 1 1 32 32 36 o 0.706366 0.446394  1.07623      1.31425  1.07623      1.31425  1.07623      1.31425  0.717899 0.41257   ?        ?         
1 1 1 32 32 37 o 0.579055 0.39818   0.230526     1.42561  0.230526     1.42561  0.230526     1.42561  0.528256 0.354017  ?        ?         
1 1 1 33 0  0  o 19.1571  0.281631  367.46       10.7852  367.46       10.7852  367.46       10.7852  19.1631  0.199032  ?        ?         
1 1 1 33 0  1  o 16.0394  0.164079  257.396      5.2622   257.396      5.2622   257.396      5.2622   16.0415  0.115992  ?        ?         
1 1 1 33 0  2  o 47.4922  0.453665  2259.71      43.0822  2259.71      43.0822  2259.71      43.0822  47.514   0.320609  ?        ?         
1 1 1 33 0  3  o 32.8172  0.314268  1078.07      20.6225  1078.07      20.6225  1078.07      20.6225  32.8255  0.222142  ?        ?         
1 1 1 33 0  4  o 14.0049  0.149247  196.235      4.17931  196.235      4.17931  196.235      4.17931  14.0066  0.105507  ?        ?         
1 1 1 33 0  5  o 18.0506  0.172427  325.983      6.22351  325.983      6.22351  325.983      6.22351  18.0528  0.121897  ?        ?         
1 1 1 33 0  6  o 6.63495  0.0898568 44.0494      1.1919   44.0494      1.1919   44.0494      1.1919   6.63596  0.0635156 ?        ?         
1 1 1 33 0  7  o 13.1797  0.146741  173.797      3.86693  173.797      3.86693  173.797      3.86693  13.1814  0.103734  ?        ?         
1 1 1 33 0  8  o 18.2537  0.182909  333.381      6.67602  333.381      6.67602  333.381      6.67602  18.2562  0.129304  ?        ?         
1 1 1 33 0  9  o 2.03225  0.148582  4.19656      0.596492 4.19656      0.596492 4.19656      0.596492 2.04056  0.103966  ?        ?         
1 1 1 33 0  10 o 20.4673  0.204457  419.178      8.36746  419.178      8.36746  419.178      8.36746  20.4705  0.144533  ?        ?         
1 1 1 33 0  11 o 1.28089  0.271269  1.84543      0.610918 1.84543      0.610918 1.84543      0.610918 1.32698  0.168918  ?        ?         
1 1 1 33 0  12 o 18.0201  0.178364  324.924      6.42685  324.924      6.42685  324.924      6.42685  18.0229  0.126089  ?        ?         
1 1 1 33 0  13 o 3.9323   0.133198  15.519       1.04482  15.519       1.04482  15.519       1.04482  3.93587  0.0939758 ?        ?         
1 1 1 33 0  14 f 11.3847  0.133276  129.69       3.03368  129.69       3.03368  129.69       3.03368  11.3864  0.0942118 ?        ?         
1 1 1 33 0  15 o 17.0319  0.200267  290.345      6.8197   290.345      6.8197   290.345      6.8197   17.0357  0.141556  ?        ?         
1 1 1 33 0  16 o 21.3788  0.226565  457.522      9.68494  457.522      9.68494  457.522      9.68494  21.3843  0.160145  ?        ?         
1 1 1 33 0  17 o 11.1208  0.14329   123.772      3.1858   123.772      3.1858   123.772      3.1858   11.1231  0.101282  ?        ?         
1 1 1 33 0  18 o 1.36269  0.458557  2.39935      1.11363  2.39935      1.11363  2.39935      1.11363  1.4617   0.305846  ?        ?         
1 1 1 33 0  19 o 0.553802 0.368363  -0.209766    1.04432  -0.209766    1.04432  -0.209766    1.04432  0.45448  0.30415   ?        ?         
1 1 1 33 0  20 f 3.49459  0.17293   12.3113      1.20189  12.3113      1.20189  12.3113      1.20189  3.50173  0.121682  ?        ?         
1 1 1 33 0  21 o 2.15982  0.253914  4.86421      1.06243  4.86421      1.06243  4.86421      1.06243  2.18379  0.174572  ?        ?         
1 1 1 33 0  22 o 0.582934 0.376193  0.0552387    0.986613 0.0552387    0.986613 0.0552387    0.986613 0.494286 0.318066  ?        ?         
1 1 1 33 0  23 o 4.67038  0.131021  21.8821      1.22166  21.8821      1.22166  21.8821      1.22166  4.67412  0.0924889 ?        ?         
1 1 1 33 0  24 o 4.85296  0.13663   23.632       1.32374  23.632       1.32374  23.632       1.32374  4.85713  0.0964416 ?        ?         
1 1 1 33 0  25 o 6.40695  0.12529   41.1402      1.60407  41.1402      1.60407  41.1402      1.60407  6.41051  0.0885062 ?        ?         
1 1 1 33 0  26 o 1.13812  0.507161  1.90093      1.21556  1.90093      1.21556  1.90093      1.21556  1.21505  0.39995   ?        ?         
1 1 1 33 0  27 f 3.28686  0.19196   10.9508      1.25204  10.9508      1.25204  10.9508      1.25204  3.29816  0.134726  ?        ?         
1 1 1 33 0  28 o 6.37093  0.135793  40.7244      1.72848  40.7244      1.72848  40.7244      1.72848  6.37628  0.09589   ?        ?         
1 1 1 33 0  29 o 3.02184  0.202426  9.30158      1.2108   9.30158      1.2108   9.30158      1.2108   3.03608  0.141702  ?        ?         
1 1 1 33 0  30 o 0.607423 0.405031  -0.245639    1.28156  -0.245639    1.28156  -0.245639    1.28156  0.50091  0.335679  ?        ?         
1 1 1 33 0  31 o 3.6024   0.186455  13.1614      1.33516  13.1614      1.33516  13.1614      1.33516  3.61521  0.130963  ?        ?         
1 1 1 33 0  32 o 6.03603  0.15825   36.6836      1.90744  36.6836      1.90744  36.6836      1.90744  6.04637  0.111621  ?        ?         
1 1 1 33 0  33 o 1.78339  0.385935  3.67538      1.20611  3.67538      1.20611  3.67538      1.20611  1.86199  0.237714  ?        ?         
1 1 1 33 0  34 o 0.540985 0.370705  -0.564417    1.21274  -0.564417    1.21274  -0.564417    1.21274  0.434433 0.301713  ?        ?         
1 1 1 33 0  35 o 0.546173 0.375588  -0.629216    1.26875  -0.629216    1.26875  -0.629216    1.26875  0.438714 0.305014  ?        ?         
1 1 1 33 0  36 o 2.48213  0.286666  6.58098      1.37995  6.58098      1.37995  6.58098      1.37995  2.52557  0.195889  ?        ?         
1 1 1 33 0  37 o 1.84949  0.429509  4.11659      1.38018  4.11659      1.38018  4.11659      1.38018  1.95505  0.25983   ?        ?         
1 1 1 33 0  38 o 0.704365 0.454558  0.323056     1.44046  0.323056     1.44046  0.323056     1.44046  0.622065 0.393055  ?        ?         
1 1 1 33 0  39 o 0.821594 0.496642  1.01512      1.46421  1.01512      1.46421  1.01512      1.46421  0.789243 0.442116  ?        ?         
1 1 1 33 0  40 o 1.72545  0.479764  3.97316      1.43056  3.97316      1.43056  3.97316      1.43056  1.8814   0.289336  ?        ?         
1 1 1 33 0  41 o 1.40008  0.554878  3.22895      1.49119  3.22895      1.49119  3.22895      1.49119  1.60604  0.378261  ?        ?         
1 1 1 33 0  42 o 0.880402 0.523556  1.6355       1.57872  1.6355       1.57872  1.6355       1.57872  0.923972 0.476481  ?        ?         
1 1 1 33 0  43 o 0.702024 0.467387  0.67222      1.69072  0.67222      1.69072  0.67222      1.69072  0.659274 0.420943  ?        ?         
1 1 1 33 0  44 o 1.87649  0.582675  6.24909      1.91017  6.24909      1.91017  6.24909      1.91017  2.24225  0.320021  ?        ?         
1 1 1 33 1  0  o 7.09071  0.089786  50.3054      1.27283  50.3054      1.27283  50.3054      1.27283  7.09167  0.0634682 ?        ?         
1 1 1 33 1  1  o 4.0773   0.0575751 16.6252      0.469501 17.0262      0.67561  16.2506      0.652921 4.12607  0.0818709 4.03101  0.0809874 
1 1 1 33 1  2  o 19.1216  0.132629  365.731      5.07215  367.433      7.28583  364.131      7.06546  19.1634  0.190098  19.0773  0.18518   
1 1 1 33 1  3  o 9.29627  0.0728017 86.4274      1.35357  88.2909      1.97187  84.7668      1.86138  9.39555  0.104936  9.20619  0.101094  
1 1 1 33 1  4  o 6.00203  0.0631874 36.0265      0.758505 35.4502      1.03901  36.6841      1.10987  5.95367  0.0872577 6.05636  0.0916287 
1 1 1 33 1  5  o 28.7014  0.201424  824.264      11.5623  818.49       16.4362  829.921      16.2682  28.5915  0.287432  28.7911  0.282522  
1 1 1 33 1  6  o 14.0539  0.102353  197.543      2.87692  195.902      4.08503  199.158      4.05232  13.9942  0.145954  14.1101  0.143596  
1 1 1 33 1  7  o 7.69526  0.0656053 59.2208      1.0097   60.209       1.43193  58.2436      1.42397  7.75894  0.0922758 7.63124  0.0932987 
1 1 1 33 1  8  o 4.87459  0.0626949 23.7631      0.611224 23.6074      0.845397 23.9336      0.884748 4.85846  0.0870025 4.89189  0.0904301 
1 1 1 33 1  9  o 7.37052  0.0646349 54.3282      0.952787 55.2952      1.35229  53.3749      1.34265  7.43558  0.0909338 7.30532  0.0918952 
1 1 1 33 1  10 o 8.20984  0.0686607 67.4069      1.12739  67.1629      1.59057  67.6533      1.59819  8.19462  0.0970494 8.22448  0.0971605 
1 1 1 33 1  11 o 3.11356  0.0862943 9.69563      0.537365 10.9622      0.805112 8.67811      0.721622 3.31046  0.121601  2.94544  0.122498  
1 1 1 33 1  12 o 13.2619  0.0977073 175.912      2.59156  177.309      3.73406  174.614      3.59968  13.313   0.140241  13.2116  0.136232  
1 1 1 33 1  13 f 8.03267  0.0736717 64.5313      1.18356  64.6066      1.66889  64.4552      1.67877  8.03689  0.103827  8.02745  0.104564  
1 1 1 33 1  14 o 14.3329  0.112634  205.491      3.22873  205.172      4.56311  205.81       4.56913  14.3197  0.15933   14.342   0.159292  
1 1 1 33 1  15 f 9.51842  0.0966818 90.6215      1.84052  88.5396      2.70364  92.4197      2.51261  9.4071   0.143702  9.61145  0.130709  
1 1 1 33 1  16 o 4.02008  0.0955219 16.1652      0.768012 15.7039      1.07957  16.6379      1.09281  3.96178  0.136249  4.07793  0.133991  
1 1 1 33 1  17 o 4.74047  0.0905769 22.4779      0.858754 24.3436      1.25527  20.8365      1.17739  4.93266  0.12724   4.5635   0.129001  
1 1 1 33 1  18 o 14.8348  0.119008  220.19       3.53092  220.819      4.93943  219.532      5.04934  14.852   0.166288  14.8083  0.17049   
1 1 1 33 1  19 o 1.40446  0.275985  2.04758      0.747592 2.22224      1.04289  1.86295      1.07223  1.45739  0.359545  1.34321  0.381324  
1 1 1 33 1  20 o 3.83357  0.108912  14.7059      0.835043 14.7993      1.20365  14.6193      1.15944  3.84438  0.156547  3.82109  0.151716  
1 1 1 33 1  21 o 5.99765  0.0833789 35.988       1.00015  36.5688      1.43166  35.4344      1.39781  6.04442  0.118428  5.94997  0.117464  
1 1 1 33 1  22 f 4.0367   0.0994419 16.3077      0.802834 16.612       1.13153  15.9992      1.13927  4.07264  0.138918  3.99666  0.142528  
1 1 1 33 1  23 o 3.36242  0.117005  11.3218      0.786842 11.1915      1.12768  11.4455      1.09842  3.3405   0.168789  3.37856  0.162558  
1 1 1 33 1  24 o 4.33962  0.101882  18.8553      0.884256 18.1131      1.28596  19.5209      1.21787  4.25021  0.151282  4.41329  0.137977  
1 1 1 33 1  25 o 6.02938  0.0925929 36.3974      1.11656  37.5288      1.60313  35.3315      1.55602  6.11865  0.131004  5.93683  0.131048  
1 1 1 33 1  26 o 4.60519  0.104087  21.2457      0.958684 20.745       1.30759  21.8276      1.40974  4.54686  0.14379   4.66315  0.151157  
1 1 1 33 1  27 o 3.91939  0.118958  15.4042      0.932488 15.8623      1.25923  14.848       1.38757  3.973    0.158473  3.84107  0.180622  
1 1 1 33 1  28 o 3.11688  0.142611  9.75883      0.889    9.86697      1.28031  9.65814      1.23537  3.12673  0.204736  3.09417  0.199629  
1 1 1 33 1  29 o 5.03653  0.1078    25.4465      1.08588  26.7426      1.53302  24.1416      1.53832  5.15603  0.148662  4.8972   0.157061  
1 1 1 33 1  30 o 3.17609  0.152942  10.1608      0.971511 10.0784      1.44734  10.2283      1.31066  3.14883  0.229821  3.17717  0.206262  
1 1 1 33 1  31 o 3.19666  0.145228  10.2963      0.928488 10.1325      1.30514  10.4642      1.32117  3.1588   0.206588  3.21029  0.205771  
1 1 1 33 1  32 o 1.71536  0.268385  3.02617      0.920755 4.72943      1.34509  1.52434      1.26306  2.13325  0.315269  1.23022  0.423494  
1 1 1 33 1  33 o 3.10352  0.145388  9.73181      0.902428 8.64701      1.26958  10.8396      1.28298  2.90698  0.218367  3.26175  0.19667   
1 1 1 33 1  34 o 0.563794 0.270971  -1.21831     0.890082 0.111515     1.24671  -2.60085     1.27118  0.898236 0.385765  0.597411 0.294496  
1 1 1 33 1  35 o 1.36439  0.334355  2.06576      0.906492 2.49821      1.28124  1.63232      1.28271  1.47639  0.416101  1.23526  0.426626  
1 1 1 33 1  36 o 2.00182  0.240543  4.18071      0.963047 4.08674      1.36669  4.27339      1.35727  1.90082  0.372789  1.95094  0.361428  
1 1 1 33 1  37 o 2.14591  0.229252  4.80776      0.983909 4.3098       1.40323  5.28936      1.37998  1.94174  0.374705  2.21162  0.311984  
1 1 1 33 1  38 o 1.49834  0.33961   2.59004      0.994385 3.32804      1.42883  1.89688      1.38475  1.64469  0.429682  1.26453  0.442639  
1 1 1 33 1  39 o 2.24399  0.239322  5.39501      1.07407  6.63715      1.5304   4.18929      1.50779  2.43036  0.314851  1.82912  0.420676  
1 1 1 33 1  40 o 0.856336 0.355201  0.549452     0.997763 1.87833      1.41065  -0.780916    1.41145  1.19977  0.443865  0.764011 0.358827  
1 1 1 33 1  41 o 0.847692 0.357493  0.563071     1.03776  0.8498       1.4481   0.260352     1.48793  0.965167 0.415176  0.884511 0.39861   
1 1 1 33 1  42 o 0.740531 0.335694  0.094985     1.07078  0.0718079    1.51926  0.117863     1.50941  0.823882 0.382777  0.827577 0.383354  
1 1 1 33 1  43 o 1.22254  0.414321  2.51467      1.20779  5.27022      1.7358   -0.0715668   1.68163  1.69652  0.48632   0.79685  0.38042   
1 1 1 33 1  44 o 0.714743 0.336799  0.126598     1.26373  0.838391     1.79146  -0.57843     1.78293  0.826454 0.394099  0.7213   0.355266  
1 1 1 33 2  0  o 34.6725  0.339513  1203.54      23.5385  1203.54      23.5385  1203.54      23.5385  34.6821  0.239979  ?        ?         
1 1 1 33 2  1  o 2.71139  0.0718833 7.35218      0.389807 6.84698      0.541785 7.89437      0.561273 2.61647  0.103534  2.80948  0.0998889 
1 1 1 33 2  2  o 15.5998  0.110812  243.399      3.45731  244.312      4.79836  242.413      4.98578  15.6277  0.153521  15.5666  0.160143  
1 1 1 33 2  3  o 13.9061  0.102301  193.409      2.8452   192.872      4.01283  193.952      4.03471  13.8857  0.144495  13.9245  0.144878  
1 1 1 33 2  4  o 9.97916  0.0766725 99.5923      1.53026  99.9549      2.14823  99.2189      2.18035  9.99688  0.107445  9.95997  0.109456  
1 1 1 33 2  5  o 8.82104  0.0720472 77.8168      1.27106  76.9917      1.80166  78.6344      1.79348  8.77379  0.102673  8.86692  0.101133  
1 1 1 33 2  6  o 11.5083  0.0863338 132.455      1.98711  133.459      2.73793  131.338      2.8885   11.5512  0.118513  11.4589  0.126038  
1 1 1 33 2  7  o 4.44982  0.0633082 19.802       0.56342  20.0093      0.760733 19.5503      0.838527 4.47292  0.0850376 4.42127  0.0948288 
1 1 1 33 2  8  o 18.9236  0.127993  358.192      4.84416  355.513      6.80318  360.948      6.89918  18.8502  0.180453  18.9937  0.181617  
1 1 1 33 2  9  o 3.5148   0.0675105 12.3547      0.474572 12.102       0.661014 12.6236      0.681759 3.47853  0.0950133 3.55269  0.0959497 
1 1 1 33 2  10 o 12.33    0.0925632 152.052      2.2826   150.437      3.19585  153.733      3.26131  12.2634  0.130301  12.3969  0.131537  
1 1 1 33 2  11 o 6.64777  0.0678551 44.197       0.90217  45.4796      1.36496  43.202       1.2022   6.74316  0.101211  6.57227  0.0914602 
1 1 1 33 2  12 o 11.2204  0.0855581 125.916      1.91999  125.209      2.70168  126.638      2.72908  11.188   0.12074   11.2516  0.121275  
1 1 1 33 2  13 o 2.2255   0.127685  4.95459      0.568324 3.82482      0.787211 6.18445      0.821338 1.95485  0.201348  2.48611  0.165185  
1 1 1 33 2  14 o 25.6814  0.189462  660.089      9.73131  652.192      13.6047  668.362      13.9252  25.5166  0.266585  25.8305  0.269549  
1 1 1 33 2  15 f 10.1866  0.0891177 103.789      1.81562  104.407      2.55128  103.154      2.58438  10.2159  0.124868  10.1543  0.127255  
1 1 1 33 2  16 o 8.45068  0.0786035 71.4267      1.3285   72.3783      1.85026  70.4141      1.90869  8.50608  0.108761  8.38972  0.113751  
1 1 1 33 2  17 o 6.19205  0.0884638 38.3514      1.09554  38.7974      1.53272  37.8856      1.5665   6.22719  0.123066  6.15347  0.127286  
1 1 1 33 2  18 o 7.89968  0.0954193 62.4284      1.50756  66.356       2.20692  58.992       2.06426  8.14281  0.135513  7.67774  0.134432  
1 1 1 33 2  19 o 9.76319  0.0904091 95.3582      1.76536  95.5367      2.56151  95.1968      2.43639  9.77014  0.131089  9.75313  0.124903  
1 1 1 33 2  20 o 8.15774  0.0862801 66.5774      1.4077   64.9399      1.99555  68.1993      1.98606  8.05495  0.123871  8.25483  0.120297  
1 1 1 33 2  21 o 2.9949   0.124141  8.97887      0.743579 8.2389       1.04124  9.74897      1.06223  2.86708  0.181586  3.11921  0.170272  
1 1 1 33 2  22 o 5.18133  0.08917   26.8642      0.924039 27.8396      1.33969  25.979       1.2762   5.27272  0.127039  5.09358  0.125276  
1 1 1 33 2  23 o 9.22686  0.0891927 85.2067      1.64594  83.6345      2.36281  86.6889      2.29412  9.13713  0.129297  9.30323  0.123297  
1 1 1 33 2  24 o 6.50185  0.0854989 42.312       1.1118   42.5076      1.59812  42.1287      1.54774  6.51374  0.122673  6.48497  0.119333  
1 1 1 33 2  25 o 6.5198   0.089954  42.5577      1.17296  42.0776      1.61663  43.0914      1.7045   6.47937  0.124752  6.55631  0.129989  
1 1 1 33 2  26 o 5.34391  0.0977988 28.6043      1.04526  28.0281      1.42574  29.2739      1.53695  5.28585  0.134864  5.40109  0.142281  
1 1 1 33 2  27 o 1.18356  0.329793  1.47399      0.809354 1.81236      1.11597  1.09851      1.17555  1.31682  0.393649  1.1224   0.406323  
1 1 1 33 2  28 o 4.51569  0.109552  20.4477      0.989401 19.6467      1.38312  21.2871      1.41591  4.42007  0.156459  4.60132  0.153859  
1 1 1 33 2  29 o 3.20413  0.139713  10.3224      0.895315 9.90186      1.26785  10.7406      1.26449  3.129    0.202596  3.26037  0.193918  
1 1 1 33 2  30 o 1.98872  0.228863  4.02093      0.910288 4.50465      1.30446  3.56179      1.27088  2.08991  0.312084  1.82077  0.361851  
1 1 1 33 2  31 f 2.77009  0.167633  7.75084      0.92872  9.38726      1.32697  6.17963      1.30026  3.03775  0.218413  2.45492  0.264827  
1 1 1 33 2  32 o 2.21144  0.206122  4.97317      0.911656 6.86317      1.30824  3.18892      1.27111  2.58692  0.252857  1.70599  0.382103  
1 1 1 33 2  33 o 0.651579 0.295759  -0.417969    0.834584 -0.526778    1.20243  -0.316824    1.15931  0.785127 0.35583   0.801125 0.35672   
1 1 1 33 2  34 o 1.58179  0.302771  2.70834      0.92368  1.99901      1.29426  3.44465      1.31864  1.34127  0.428236  1.75247  0.386601  
1 1 1 33 2  35 o 1.71894  0.266214  3.08969      0.915212 2.38124      1.29904  3.7879       1.28962  1.44082  0.423225  1.84388  0.362625  
1 1 1 33 2  36 o 0.950292 0.357269  0.815118     0.921238 0.356783     1.30511  1.27026      1.30056  0.945746 0.399975  1.13546  0.424967  
1 1 1 33 2  37 o 1.00226  0.369898  0.989027     0.978491 2.16882      1.35883  -0.281615    1.41018  1.35354  0.43946   0.865651 0.389196  
1 1 1 33 2  38 o 1.18647  0.37465   1.64957      0.992639 1.55441      1.43207  1.73756      1.37715  1.18205  0.445237  1.22077  0.439997  
1 1 1 33 2  39 o 2.18798  0.239905  5.13651      1.04982  3.12177      1.50546  7.04364      1.46471  1.54026  0.456558  2.5222   0.290363  
1 1 1 33 2  40 o 1.97083  0.262878  4.31255      1.03618  2.62204      1.46025  6.02698      1.47055  1.36888  0.45557   2.27118  0.323741  
1 1 1 33 2  41 o 1.21459  0.377438  1.96084      1.01269  2.75334      1.40496  1.10385      1.46101  1.36913  0.446862  1.00617  0.424243  
1 1 1 33 2  42 o 0.822034 0.356223  0.592806     1.08111  -0.148845    1.51933  1.35349      1.5387   0.794546 0.373009  0.989491 0.426828  
1 1 1 33 2  43 o 1.24952  0.413353  2.69956      1.20215  3.3281       1.72188  2.10184      1.67913  1.22645  0.481521  1.02768  0.444622  
1 1 1 33 2  44 o 0.816369 0.367537  0.90568      1.26187  -1.17853     1.77785  3.02164      1.79134  0.6878   0.341249  1.08256  0.463583  
1 1 1 33 3  0  o 33.856   0.33171   1147.48      22.4558  1147.48      22.4558  1147.48      22.4558  33.8651  0.234465  ?        ?         
1 1 1 33 3  1  o 13.3589  0.0972129 178.485      2.59732  179.397      3.64556  177.545      3.70139  13.3921  0.136109  13.3227  0.138913  
1 1 1 33 3  2  o 40.2053  0.281136  1618.35      22.6063  1616.26      30.8787  1620.76      33.1862  40.1581  0.384464  40.2072  0.412689  
1 1 1 33 3  3  o 2.76221  0.0686829 7.63036      0.379434 7.58904      0.519666 7.67754      0.555306 2.75464  0.0943257 2.77063  0.100213  
1 1 1 33 3  4  o 8.03618  0.0655801 64.5843      1.05403  64.3685      1.45666  64.8214      1.52707  8.0225   0.0907859 8.05063  0.0948417 
1 1 1 33 3  5  o 19.9342  0.143142  397.494      5.70683  392.307      7.97442  402.938      8.17051  19.8006  0.201368  20.067   0.203581  
1 1 1 33 3  6  o 20.3264  0.138056  413.282      5.61237  408.772      7.77944  418.177      8.10474  20.2124  0.192443  20.4432  0.198225  
1 1 1 33 3  7  o 19.6446  0.136817  386.019      5.37545  384.49       7.49469  387.639      7.71413  19.6029  0.191163  19.6827  0.195962  
1 1 1 33 3  8  o 4.64519  0.0606476 21.5791      0.563439 21.2638      0.770324 21.9418      0.82626  4.61101  0.083531  4.6839   0.0882021 
1 1 1 33 3  9  o 6.22787  0.0635632 38.7892      0.791727 39.1918      1.09926  38.3551      1.14127  6.25991  0.0878015 6.19269  0.0921463 
1 1 1 33 3  10 o 5.72702  0.0658652 32.8014      0.754423 31.85        1.06795  33.7491      1.06588  5.64309  0.0946247 5.80893  0.0917449 
1 1 1 33 3  11 o 5.4507   0.0668437 29.7128      0.728689 29.3524      1.01298  30.0994      1.04901  5.41729  0.0934948 5.48578  0.0956119 
1 1 1 33 3  12 o 14.6434  0.106523  214.481      3.11973  212.333      4.32334  216.813      4.50626  14.5682  0.148383  14.7209  0.153056  
1 1 1 33 3  13 f 4.51195  0.0764808 20.3604      0.690156 21.3564      0.998499 19.4492      0.955008 4.6207   0.108046  4.40955  0.108289  
1 1 1 33 3  14 o 16.3072  0.128409  266.032      4.18797  263.552      6.03217  268.339      5.81895  16.2274  0.185864  16.3747  0.177681  
1 1 1 33 3  15 o 10.9543  0.0918365 120.024      2.01201  119.733      2.85793  120.309      2.83305  10.9397  0.130622  10.9661  0.129173  
1 1 1 33 3  16 o 5.44283  0.0847619 29.6308      0.922688 30.9703      1.32537  28.371       1.28531  5.5639   0.119104  5.32527  0.12068   
1 1 1 33 3  17 o 9.34134  0.0913019 87.2865      1.70576  88.8856      2.42826  85.7287      2.39668  9.42512  0.128819  9.25621  0.129463  
1 1 1 33 3  18 f 4.55798  0.0917921 20.7829      0.836773 21.0939      1.17668  20.4647      1.19019  4.59113  0.128147  4.52204  0.131599  
1 1 1 33 3  19 o 14.0078  0.111233  196.344      3.11625  193.92       4.35947  198.876      4.45622  13.9167  0.156627  14.0932  0.158098  
1 1 1 33 3  20 o 11.2188  0.0983221 125.935      2.20611  125.83       3.19327  126.03       3.05138  11.2105  0.142424  11.22    0.135979  
1 1 1 33 3  21 o 7.55681  0.0821927 57.1332      1.24223  57.507       1.79081  56.7864      1.72461  7.57949  0.118135  7.53208  0.114484  
1 1 1 33 3  22 o 4.22112  0.100449  17.8341      0.848013 15.8944      1.20749  19.722       1.19122  3.98264  0.151594  4.43733  0.134227  
1 1 1 33 3  23 o 4.17926  0.101875  17.4861      0.851522 18.0734      1.21681  16.9224      1.19204  4.24652  0.143272  4.10897  0.145053  
1 1 1 33 3  24 o 3.63196  0.111006  13.2121      0.806335 13.2387      1.15752  13.187       1.12389  3.63255  0.159326  3.62577  0.154986  
1 1 1 33 3  25 o 1.99364  0.193162  3.9968       0.770193 4.68535      1.05215  3.20186      1.1305   2.15488  0.244132  1.74665  0.335593  
1 1 1 33 3  26 o 1.40764  0.286428  2.08122      0.778369 1.19725      1.02988  3.2588       1.18867  1.12128  0.382592  1.75667  0.350744  
1 1 1 33 3  27 o 4.187    0.113071  17.5769      0.946859 18.33        1.37212  16.8923      1.30828  4.27012  0.160665  4.09939  0.15957   
1 1 1 33 3  28 o 1.3479   0.301334  1.92729      0.791751 2.68566      1.14908  1.2418       1.09247  1.58291  0.369359  1.1408   0.393748  
1 1 1 33 3  29 o 6.31137  0.105243  39.9597      1.32845  39.0867      1.80843  40.9829      1.95788  6.23333  0.145062  6.38049  0.153427  
1 1 1 33 3  30 o 2.37025  0.185455  5.68157      0.879148 5.26555      1.24262  6.0985       1.24399  2.26651  0.274127  2.4433   0.254571  
1 1 1 33 3  31 o 1.0527   0.355653  1.09686      0.88996  1.35143      1.29711  0.870439     1.22332  1.19463  0.427372  1.06211  0.408163  
1 1 1 33 3  32 o 3.30892  0.141386  11.0368      0.935669 10.4743      1.27329  11.6971      1.37956  3.21096  0.198272  3.39183  0.203365  
1 1 1 33 3  33 o 0.968852 0.342461  0.897051     0.830659 1.06542      1.18493  0.734361     1.16479  1.08906  0.406025  1.0049   0.39556   
1 1 1 33 3  34 o 3.25746  0.147756  10.7461      0.962622 11.7029      1.36399  9.79657      1.35873  3.38102  0.201713  3.08659  0.220102  
1 1 1 33 3  35 o 3.57288  0.140823  12.9331      1.00629  12.7673      1.42531  13.0978      1.42092  3.52563  0.202135  3.57248  0.19887   
1 1 1 33 3  36 o 0.873351 0.349427  0.5228       0.923306 1.37487      1.32022  -0.292932    1.29175  1.16226  0.429519  0.835115 0.374068  
1 1 1 33 3  37 o 0.87806  0.356061  0.508023     0.977051 1.36771      1.35889  -0.412063    1.40582  1.15321  0.433842  0.846308 0.384071  
1 1 1 33 3  38 o 0.961249 0.368063  0.888376     0.991817 2.29653      1.39666  -0.544155    1.4087   1.355    0.44554   0.815291 0.374792  
1 1 1 33 3  39 o 1.53233  0.336035  2.76858      1.00172  2.68918      1.48665  2.83461      1.35568  1.42418  0.459392  1.4813   0.431472  
1 1 1 33 3  40 o 2.16497  0.242835  5.14597      1.05146  5.13197      1.4892   5.15989      1.48478  2.01708  0.383001  2.02538  0.380547  
1 1 1 33 3  41 o 1.82613  0.286146  3.87519      1.04508  4.02317      1.43856  3.7098       1.5208   1.69753  0.424421  1.58355  0.455621  
1 1 1 33 3  42 o 0.67735  0.320737  -0.51359     1.16531  0.172922     1.675    -1.15755     1.62227  0.84527  0.395887  0.721724 0.351355  
1 1 1 33 3  43 o 1.20558  0.420228  2.68637      1.24697  4.0961       1.75822  1.25965      1.76878  1.33367  0.49511   0.899024 0.415889  
1 1 1 33 3  44 o 0.653517 0.315219  -0.390208    1.23139  0.00552223   1.72301  -0.803349    1.7605   0.749728 0.364109  0.700412 0.345582  
1 1 1 33 4  0  o 9.48231  0.108391  89.9573      2.055    89.9573      2.055    89.9573      2.055    9.48344  0.0766239 ?        ?         
1 1 1 33 4  1  o 14.7566  0.109233  217.796      3.22382  218.8        4.51888  216.755      4.60056  14.7893  0.152775  14.7199  0.15627   
1 1 1 33 4  2  o 15.4466  0.112404  238.642      3.47251  238.089      4.7892   239.256      5.04231  15.4273  0.155218  15.4648  0.163026  
1 1 1 33 4  3  o 26.9298  0.184984  725.582      9.96317  724.236      13.6188  727.131      14.6138  26.8985  0.253152  26.9503  0.271125  
1 1 1 33 4  4  o 46.2844  0.327424  2145.66      30.3093  2135.4       39.9302  2159.62      46.5562  46.1446  0.432664  46.3826  0.501871  
1 1 1 33 4  5  o 22.8249  0.163134  521.182      7.44703  515.584      10.4274  527.009      10.6392  22.6973  0.229706  22.9472  0.231819  
1 1 1 33 4  6  o 37.89    0.253772  1437.04      19.2308  1441.59      26.9949  1432.35      27.4027  37.9313  0.35584   37.8082  0.362391  
1 1 1 33 4  7  f 12.0895  0.0897952 146.176      2.17117  146.157      3.07065  146.195      3.07033  12.0879  0.127013  12.0895  0.126983  
1 1 1 33 4  8  o 8.79408  0.0700528 77.3424      1.2321   75.8557      1.72498  78.8909      1.76047  8.70877  0.0990368 8.8813   0.0991112 
1 1 1 33 4  9  o 18.7966  0.130363  353.425      4.90077  350.81       6.88655  356.107      6.97578  18.724   0.183896  18.8648  0.184889  
1 1 1 33 4  10 o 9.40948  0.0747913 88.5482      1.40749  89.2276      1.96429  87.8314      2.01778  9.445    0.103986  9.37074  0.107664  
1 1 1 33 4  11 o 7.94992  0.0721785 63.2082      1.14763  63.8709      1.63736  62.5682      1.60899  7.99105  0.10245   7.90915  0.101717  
1 1 1 33 4  12 o 17.0796  0.120524  291.803      4.117    289.287      5.91497  294.168      5.7339   17.0028  0.173941  17.1461  0.167207  
1 1 1 33 4  13 o 4.98483  0.0760181 24.8518      0.757874 24.6767      1.04499  25.0462      1.10077  4.96692  0.105195  5.00391  0.109991  
1 1 1 33 4  14 o 6.83692  0.0814045 46.7514      1.11311  45.9671      1.55296  47.58        1.59629  6.77876  0.114546  6.89664  0.115729  
1 1 1 33 4  15 o 18.8115  0.13894   354.064      5.22734  354.752      7.23183  353.311      7.56455  18.825   0.192081  18.7857  0.201338  
1 1 1 33 4  16 o 12.2154  0.102331  149.266      2.50003  147.355      3.4627   151.348      3.61325  12.135   0.142674  12.2981  0.146902  
1 1 1 33 4  17 o 5.13094  0.0883286 26.3344      0.906417 26.3711      1.27997  26.2976      1.28378  5.13374  0.124662  5.12656  0.125208  
1 1 1 33 4  18 o 4.78     0.0907833 22.8571      0.867888 22.2589      1.21824  23.4737      1.23672  4.71609  0.129158  4.84311  0.127679  
1 1 1 33 4  19 o 5.58526  0.0858229 31.2078      0.958687 30.47        1.39118  31.8749      1.32296  5.51758  0.126068  5.64368  0.117208  
1 1 1 33 4  20 o 7.33125  0.0868429 53.773       1.27334  53.1566      1.91936  54.2576      1.70175  7.2868   0.131701  7.36282  0.115564  
1 1 1 33 4  21 o 0.817102 0.31076   0.468932     0.703112 -0.445471    0.999772 1.36377      0.989017 0.735896 0.32937   1.17306  0.374329  
1 1 1 33 4  22 o 8.23252  0.0824359 67.8193      1.35731  65.7576      1.87701  70.0789      1.96507  8.10383  0.11581   8.36572  0.117448  
1 1 1 33 4  23 o 5.13998  0.0902037 26.4437      0.92729  26.9995      1.29982  25.8676      1.32327  5.1915   0.125187  5.08114  0.130214  
1 1 1 33 4  24 o 3.27066  0.123898  10.7195      0.810453 10.7821      1.12226  10.6513      1.17164  3.27709  0.171228  3.25647  0.179894  
1 1 1 33 4  25 o 2.12716  0.182349  4.54822      0.775768 4.99189      1.03241  3.97283      1.17571  2.22485  0.232018  1.9795   0.296971  
1 1 1 33 4  26 o 3.55487  0.118605  12.6701      0.843251 12.7277      1.14745  12.6024      1.2434   3.55901  0.161203  3.53987  0.175628  
1 1 1 33 4  27 o 0.964815 0.33366   0.867088     0.784807 0.533729     1.15676  1.1514       1.06828  0.980087 0.391527  1.11278  0.388854  
1 1 1 33 4  28 o 3.98933  0.11614   15.9683      0.926641 15.9883      1.37547  15.9517      1.25389  3.98379  0.172634  3.9817   0.157456  
1 1 1 33 4  29 o 3.09463  0.162797  9.6514       1.0076   7.86968      1.33606  12.0012      1.53435  2.78195  0.24013   3.43936  0.223056  
1 1 1 33 4  30 f 4.97394  0.106999  24.8369      1.06441  25.6095      1.55621  24.1576      1.45909  5.03991  0.154389  4.89633  0.148998  
1 1 1 33 4  31 o 2.125    0.221487  4.59659      0.941318 4.24834      1.39475  4.8879       1.27566  1.98552  0.364875  2.17668  0.293028  
1 1 1 33 4  32 o 2.69509  0.164441  7.34392      0.886369 6.80301      1.18574  8.02899      1.33442  2.58021  0.229776  2.80083  0.23822   
1 1 1 33 4  33 o 1.99021  0.215763  4.05503      0.858829 3.86815      1.22103  4.23801      1.20821  1.91771  0.318354  2.01283  0.300128  
1 1 1 33 4  34 o 1.28921  0.335     1.83694      0.871494 0.410918     1.22909  3.27879      1.23589  0.947306 0.393664  1.71351  0.371103  
1 1 1 33 4  35 o 2.10605  0.218502  4.58041      0.920352 4.85117      1.29984  4.3082       1.30331  2.13588  0.304288  2.00436  0.32512   
1 1 1 33 4  36 o 2.46944  0.20099   6.28627      0.992669 7.50122      1.4166   5.11412      1.39143  2.66788  0.265492  2.17808  0.319417  
1 1 1 33 4  37 o 3.29245  0.163162  11.0951      1.07441  11.1122      1.48544  11.0763      1.5559   3.25945  0.227866  3.24664  0.239616  
1 1 1 33 4  38 o 0.761413 0.333532  0.0271393    0.96827  2.20409      1.32135  -2.49749     1.42296  1.32966  0.433362  0.637827 0.314142  
1 1 1 33 4  39 o 0.740049 0.326638  -0.00458152  0.945631 -0.181219    1.40104  0.143218     1.28158  0.844861 0.383415  0.861926 0.380366  
1 1 1 33 4  40 o 1.1829   0.38442   1.81902      1.03975  0.337408     1.45962  3.34535      1.48149  0.900996 0.400754  1.53392  0.452416  
1 1 1 33 4  41 o 1.24898  0.376391  2.11287      1.0175   1.86328      1.38278  2.4076       1.5026   1.13563  0.434663  1.24747  0.458612  
1 1 1 33 4  42 o 1.67894  0.36265   3.88946      1.18315  5.44622      1.73385  2.53286      1.61855  1.81082  0.473441  1.17838  0.465512  
1 1 1 33 4  43 o 0.620023 0.301289  -0.790863    1.18272  -0.604582    1.64371  -0.990854    1.70312  0.7169   0.349838  0.69983  0.344695  
1 1 1 33 4  44 o 0.696106 0.328657  0.122628     1.21474  0.269645     1.69026  -0.0344145   1.74693  0.755732 0.365478  0.737924 0.360198  
1 1 1 33 5  0  o 6.63411  0.0879705 44.0372      1.16675  44.0372      1.16675  44.0372      1.16675  6.63508  0.0621831 ?        ?         
1 1 1 33 5  1  o 33.8063  0.236729  1143.82      16.0059  1141.71      22.3367  1146.05      22.9471  33.761   0.330806  33.8237  0.339215  
1 1 1 33 5  2  o 10.2762  0.0793775 105.611      1.6314   103.964      2.28305  107.328      2.33204  10.1953  0.111965  10.3589  0.112562  
1 1 1 33 5  3  o 12.5814  0.0919149 158.312      2.31284  156.38       3.23445  160.333      3.3085   12.5036  0.129341  12.6606  0.130661  
1 1 1 33 5  4  f 23.9856  0.169219  575.555      8.11764  579.357      11.4191  571.67       11.5421  24.0594  0.23731   23.8989  0.241477  
1 1 1 33 5  5  o 7.99249  0.0695557 63.8846      1.11185  63.0938      1.56825  64.6838      1.57656  7.94256  0.0987245 8.04203  0.0980202 
1 1 1 33 5  6  o 14.5424  0.103689  211.518      3.01577  210.515      4.20606  212.58       4.32637  14.5067  0.14497   14.5775  0.148392  
1 1 1 33 5  7  o 12.3926  0.0915468 153.598      2.269    152.475      3.26402  154.648      3.15639  12.3462  0.132187  12.434   0.126926  
1 1 1 33 5  8  o 22.1514  0.150342  490.888      6.66059  486.288      9.44876  495.432      9.3905   22.0426  0.214329  22.2492  0.21103   
1 1 1 33 5  9  o 19.4714  0.133306  379.267      5.19129  374.226      7.1784   384.794      7.51644  19.3383  0.185601  19.609   0.191658  
1 1 1 33 5  10 o 1.39961  0.170908  1.9601       0.478409 2.07669      0.672938 1.84095      0.680267 1.44026  0.233617  1.33271  0.264622  
1 1 1 33 5  11 o 2.00448  0.128613  4.01938      0.515606 4.45468      0.734027 3.59539      0.724421 2.10993  0.173946  1.89541  0.191099  
1 1 1 33 5  12 o 11.9037  0.0952632 141.726      2.26797  140.792      3.16027  142.718      3.25667  11.8632  0.133196  11.944   0.136331  
1 1 1 33 5  13 f 11.6847  0.0977533 136.564      2.28444  136.999      3.20106  136.113      3.26114  11.702   0.136774  11.664   0.139796  
1 1 1 33 5  14 o 12.8159  0.103627  164.293      2.65613  162.923      3.82513  165.569      3.69111  12.7603  0.149884  12.8638  0.143469  
1 1 1 33 5  15 o 7.87924  0.082922  62.0951      1.30672  62.7899      1.93264  61.5099      1.77356  7.92225  0.121975  7.84133  0.113091  
1 1 1 33 5  16 o 6.03186  0.0865517 36.3926      1.04414  34.3558      1.43911  38.6566      1.51725  5.85988  0.122794  6.21587  0.122046  
1 1 1 33 5  17 o 5.56373  0.0836556 30.9641      0.930874 32.0065      1.33669  29.9826      1.29711  5.65576  0.11817   5.47401  0.118479  
1 1 1 33 5  18 o 8.12527  0.0880523 66.0452      1.4309   68.5759      2.09444  63.8301      1.95948  8.27779  0.12651   7.98641  0.122676  
1 1 1 33 5  19 o 3.46481  0.113382  12.0138      0.785694 10.6751      1.15832  13.1545      1.06929  3.26433  0.177421  3.62466  0.147503  
1 1 1 33 5  20 o 2.52584  0.143489  6.38869      0.724863 6.23713      1.02471  6.54049      1.02551  2.49385  0.205447  2.55394  0.20077   
1 1 1 33 5  21 o 11.8505  0.0950586 140.538      2.25299  143.17       3.23599  138.061      3.13865  11.9564  0.135325  11.7413  0.133658  
1 1 1 33 5  22 f 8.84813  0.0844549 78.3474      1.49454  77.7298      2.10975  78.9696      2.11745  8.80994  0.119737  8.87998  0.119226  
1 1 1 33 5  23 o 1.79267  0.20135   3.22904      0.721906 2.37036      0.99071  4.2011       1.05409  1.50022  0.338256  2.04161  0.258152  
1 1 1 33 5  24 o 4.10893  0.103525  16.9087      0.850751 15.1957      1.17371  18.8052      1.23491  3.89192  0.150787  4.33029  0.14259   
1 1 1 33 5  25 o 7.49436  0.0883387 56.2369      1.32408  55.0093      1.7768   57.77        1.98563  7.40807  0.119923  7.58998  0.130806  
1 1 1 33 5  26 o 6.98154  0.0923247 48.8221      1.28914  49.3479      1.76919  48.2271      1.8823   7.01406  0.126117  6.93226  0.135763  
1 1 1 33 5  27 o 5.37886  0.0967428 28.991       1.04073  28.8681      1.48451  29.1097      1.45945  5.36183  0.138433  5.38468  0.135518  
1 1 1 33 5  28 o 1.62232  0.253164  2.6761       0.821429 3.1637       1.18459  2.22448      1.14004  1.7207   0.356249  1.43868  0.387498  
1 1 1 33 5  29 o 1.44513  0.315793  2.2312       0.887562 2.2083       1.24102  2.25517      1.26988  1.43084  0.41155   1.44532  0.416501  
1 1 1 33 5  30 o 1.03047  0.34712   1.05074      0.847769 -0.249254    1.22303  2.25309      1.1762   0.843358 0.371951  1.4374   0.396494  
1 1 1 33 5  31 o 2.77081  0.173886  7.76548      0.963613 8.11176      1.41637  7.46708      1.3148   2.81438  0.251631  2.7023   0.243274  
1 1 1 33 5  32 o 0.53351  0.256954  -1.17692     0.810821 -0.725457    1.13278  -1.65123     1.16109  0.733434 0.336711  0.637269 0.307064  
1 1 1 33 5  33 o 1.16466  0.340483  1.47351      0.842697 0.742657     1.18907  2.21101      1.19446  1.01069  0.399084  1.40592  0.403552  
1 1 1 33 5  34 o 0.683709 0.304779  -0.253967    0.848397 0.463027     1.20201  -0.965754    1.19763  0.948918 0.391478  0.719652 0.33647   
1 1 1 33 5  35 o 3.12952  0.15449   9.96068      0.966961 11.0888      1.37585  8.85954      1.35928  3.27901  0.209796  2.92073  0.232696  
1 1 1 33 5  36 o 1.64481  0.309206  2.97931      0.979768 2.35024      1.40683  3.5718       1.36531  1.41368  0.445978  1.75736  0.39768   
1 1 1 33 5  37 o 2.31753  0.216067  5.6004       1.00148  6.56611      1.39291  4.56696      1.44093  2.47422  0.281486  1.99004  0.375754  
1 1 1 33 5  38 o 1.40355  0.352096  2.33874      0.98755  3.64757      1.37116  0.928012     1.42353  1.7229   0.404417  1.03958  0.42697   
1 1 1 33 5  39 o 1.00119  0.365928  1.11875      0.955421 1.18041      1.40323  1.06546      1.30451  1.06488  0.428808  1.02951  0.413911  
1 1 1 33 5  40 o 2.32386  0.238575  5.95899      1.10883  4.85101      1.57232  7.05522      1.56396  1.89262  0.425715  2.43769  0.320786  
1 1 1 33 5  41 o 0.751046 0.336271  0.119955     1.04293  0.176776     1.43234  0.0558351    1.52156  0.840616 0.38313   0.841299 0.387865  
1 1 1 33 5  42 o 0.650185 0.310698  -0.654487    1.12858  -1.03531     1.65749  -0.325327    1.54096  0.733716 0.356579  0.772294 0.367173  
1 1 1 33 5  43 o 0.752511 0.346918  0.428453     1.21712  -2.67182     1.7165   3.56346      1.72609  0.608347 0.30675   1.20273  0.478957  
1 1 1 33 5  44 o 0.52175  0.26228   -1.91211     1.20138  -1.44236     1.64309  -2.45174     1.76105  0.62574  0.312855  0.597179 0.301907  
1 1 1 33 6  0  o 69.5969  0.66524   4861.08      92.5782  4861.08      92.5782  4861.08      92.5782  69.6578  0.469936  ?        ?         
1 1 1 33 6  1  f 7.94286  0.0665967 63.0933      1.05794  64.9033      1.54188  61.4831      1.45426  8.05569  0.0957015 7.8406   0.0927388 
1 1 1 33 6  2  o 9.6278   0.0748746 92.7023      1.44175  92.6305      2.01343  92.7778      2.06546  9.62366  0.104608  9.63127  0.107227  
1 1 1 33 6  3  o 11.4389  0.0838463 130.862      1.91822  130.162      2.67002  131.61       2.75765  11.4076  0.117028  11.4709  0.120202  
1 1 1 33 6  4  o 13.8552  0.0978537 191.995      2.71157  194.42       3.87535  189.67       3.79537  13.9413  0.138988  13.77    0.137813  
1 1 1 33 6  5  o 10.3229  0.0808016 106.574      1.66822  106.537      2.30107  106.616      2.42201  10.3206  0.111479  10.3243  0.117296  
1 1 1 33 6  6  o 5.55797  0.0617181 30.893       0.686055 32.4505      0.987374 29.4392      0.953946 5.69616  0.0866701 5.42543  0.0879143 
1 1 1 33 6  7  o 25.1987  0.177709  635.335      8.95607  628.068      12.1158  644.089      13.2983  25.0479  0.241852  25.363   0.262159  
1 1 1 33 6  8  o 14.1652  0.10219   200.694      2.8951   198.803      4.02365  202.725      4.16879  14.0969  0.142714  14.2352  0.146426  
1 1 1 33 6  9  o 19.4366  0.136172  377.927      5.29347  378.152      7.57357  377.711      7.40159  19.4386  0.194808  19.4275  0.190492  
1 1 1 33 6  10 o 10.6591  0.0809502 113.631      1.7257   113.443      2.47614  113.809      2.40638  10.6494  0.116257  10.6667  0.112799  
1 1 1 33 6  11 o 5.83246  0.0700824 34.0212      0.817504 34.4496      1.13603  33.561       1.17732  5.86878  0.0967862 5.79253  0.101624  
1 1 1 33 6  12 o 10.0637  0.0898098 101.296      1.80763  103.274      2.59946  99.4452      2.51537  10.1604  0.127921  9.97036  0.126142  
1 1 1 33 6  13 f 9.54444  0.0836814 91.1126      1.59738  90.8148      2.27748  91.401       2.24104  9.52793  0.119516  9.5587   0.117225  
1 1 1 33 6  14 o 1.51004  0.206113  2.28293      0.622476 2.43817      0.900436 2.14084      0.861484 1.53291  0.304521  1.43333  0.309321  
1 1 1 33 6  15 o 5.79717  0.0833752 33.6144      0.966681 33.413       1.38042  33.8083      1.35414  5.77911  0.119432  5.81326  0.11647   
1 1 1 33 6  16 o 18.5296  0.143187  343.606      5.30639  342.636      7.59061  344.533      7.42101  18.496   0.205196  18.5479  0.20005   
1 1 1 33 6  17 o 1.12784  0.295842  1.32389      0.675618 1.10669      0.947172 1.54887      0.963985 1.08739  0.366907  1.23279  0.365323  
1 1 1 33 6  18 o 4.13217  0.100597  17.0839      0.831363 15.8708      1.13383  18.4944      1.22264  3.98171  0.142379  4.29825  0.142226  
1 1 1 33 6  19 o 0.720532 0.297327  0.146647     0.693522 0.459928     1.02461  -0.118234    0.942147 0.930232 0.369463  0.771111 0.333326  
1 1 1 33 6  20 o 3.5427   0.106182  12.5608      0.752338 12.422       1.05092  12.7066      1.07751  3.52167  0.149208  3.5617   0.151264  
1 1 1 33 6  21 o 5.08107  0.0866306 25.8343      0.880351 27.0471      1.26664  24.7009      1.22445  5.19728  0.121856  4.96667  0.123266  
1 1 1 33 6  22 o 4.02561  0.0995749 16.2228      0.8017   15.6337      1.08664  16.9265      1.18762  3.94994  0.137552  4.10959  0.144494  
1 1 1 33 6  23 o 7.92329  0.08401   62.8338      1.33127  64.1368      1.90683  61.5947      1.85947  8.00144  0.119155  7.84134  0.118568  
1 1 1 33 6  24 o 3.7153   0.111509  13.8284      0.828578 14.5802      1.1265   12.9423      1.22301  3.81231  0.147745  3.58991  0.17034   
1 1 1 33 6  25 o 3.77405  0.112653  14.2745      0.850318 14.1921      1.13735  14.3789      1.28038  3.75982  0.15125   3.7826   0.169246  
1 1 1 33 6  26 o 0.888108 0.327299  0.644358     0.765719 0.870541     1.06791  0.405022     1.09852  1.03728  0.385706  0.9332   0.377906  
1 1 1 33 6  27 o 3.03709  0.134927  9.26199      0.819571 8.96616      1.16477  9.55208      1.15341  2.98154  0.19533   3.07847  0.187335  
1 1 1 33 6  28 o 0.938251 0.33429   0.789944     0.792901 0.0821341    1.09821  1.56068      1.14598  0.861401 0.365732  1.23746  0.403581  
1 1 1 33 6  29 o 1.4508   0.30833   2.24557      0.867744 4.29203      1.27155  0.461764     1.18714  2.04085  0.311524  0.965425 0.392104  
1 1 1 33 6  30 o 3.84506  0.126334  14.8695      0.97152  14.2045      1.37525  15.532       1.37263  3.74607  0.183559  3.91933  0.17511   
1 1 1 33 6  31 o 0.981811 0.352043  0.882429     0.880596 0.586711     1.2385   1.18479      1.25232  1.00091  0.402933  1.14182  0.418786  
1 1 1 33 6  32 o 3.24302  0.136581  10.6114      0.885866 10.2309      1.23201  11.0187      1.27469  3.1701   0.194317  3.29006  0.193718  
1 1 1 33 6  33 o 1.90605  0.224713  3.73492      0.856629 2.92701      1.20944  4.54826      1.21349  1.61771  0.37988   2.08396  0.291149  
1 1 1 33 6  34 o 1.05986  0.347219  1.18612      0.84825  0.929515     1.19373  1.44784      1.20557  1.04668  0.402986  1.17893  0.412979  
1 1 1 33 6  35 o 1.49012  0.311063  2.45468      0.896778 3.53915      1.26059  1.34351      1.27602  1.76802  0.368598  1.15067  0.422662  
1 1 1 33 6  36 o 1.08062  0.36831   1.25163      0.954431 0.588783     1.28694  2.06183      1.42281  0.981283 0.404992  1.33515  0.449691  
1 1 1 33 6  37 o 2.05203  0.235603  4.43819      0.966932 4.26702      1.34127  4.6234       1.39522  1.92589  0.361545  2.00653  0.3608    
1 1 1 33 6  38 o 1.16938  0.372853  1.63207      0.981382 2.16004      1.38795  1.1042       1.38782  1.30761  0.444148  1.06542  0.427515  
1 1 1 33 6  39 o 1.0208   0.367448  1.20155      0.960173 0.341272     1.37371  2.02331      1.3426   0.906409 0.397157  1.2455   0.435863  
1 1 1 33 6  40 o 1.09253  0.389864  1.54834      1.07882  0.45486      1.49043  2.75177      1.56356  0.915651 0.406341  1.35212  0.470632  
1 1 1 33 6  41 o 0.728777 0.328791  0.0555717    1.01514  -0.273346    1.39551  0.425223     1.4794   0.772699 0.361801  0.872232 0.39503   
1 1 1 33 6  42 o 0.762815 0.345795  0.248928     1.13619  0.338723     1.6927   0.175297     1.53279  0.853893 0.399536  0.817312 0.381554  
1 1 1 33 6  43 o 0.603665 0.294289  -0.810599    1.15268  -0.985319    1.59434  -0.619262    1.66844  0.672176 0.331037  0.706554 0.346603  
1 1 1 33 6  44 o 0.835551 0.370008  1.50239      1.22703  0.668277     1.69349  2.42426      1.78035  0.734833 0.357959  0.880912 0.411233  
1 1 1 33 7  0  o 20.5344  0.19523   421.899      8.01625  421.899      8.01625  421.899      8.01625  20.5373  0.138015  ?        ?         
1 1 1 33 7  1  o 14.8428  0.103995  220.346      3.08717  217.069      4.30541  223.814      4.42906  14.7308  0.146136  14.9578  0.148051  
1 1 1 33 7  2  o 10.6327  0.0818832 113.067      1.74128  113.179      2.52704  112.965      2.40275  10.6374  0.118782  10.6274  0.113045  
1 1 1 33 7  3  f 8.54675  0.069508  73.0526      1.18814  73.1233      1.70405  72.9857      1.65748  8.55052  0.0996457 8.54251  0.0970134 
1 1 1 33 7  4  o 4.93626  0.0596759 24.3681      0.589152 23.7241      0.833109 25.0123      0.833265 4.87044  0.0855271 5.00094  0.0833108 
1 1 1 33 7  5  o 13.0261  0.0976197 169.708      2.54321  166.818      3.54998  172.754      3.64519  12.9137  0.137451  13.1414  0.138691  
1 1 1 33 7  6  o 13.1212  0.0941968 172.194      2.47195  168.957      3.44175  175.643      3.55263  12.9963  0.132413  13.2508  0.134053  
1 1 1 33 7  7  o 5.32945  0.0640037 28.4053      0.682209 26.775       0.947931 30.1569      0.982581 5.17403  0.0916047 5.4911   0.0894702 
1 1 1 33 7  8  o 8.66988  0.0706499 75.1745      1.22505  71.5281      1.67711  79.3457      1.79373  8.45658  0.0991602 8.9067   0.100696  
1 1 1 33 7  9  o 15.6182  0.112896  243.993      3.52646  240.969      4.93125  247.157      5.04504  15.5191  0.158877  15.717   0.160496  
1 1 1 33 7  10 o 6.93043  0.0696179 48.0359      0.964965 47.5979      1.35585  48.4856      1.37366  6.8984   0.0982725 6.96243  0.0986482 
1 1 1 33 7  11 o 10.3038  0.091663  106.188      1.88895  107.515      2.74025  104.986      2.60745  10.3669  0.132164  10.2444  0.127262  
1 1 1 33 7  12 o 7.06819  0.0800461 49.9672      1.13156  50.3854      1.64336  49.5901      1.5604   7.09709  0.115777  7.04095  0.110809  
1 1 1 33 7  13 o 1.23547  0.251977  1.58503      0.601052 1.73428      0.852201 1.43731      0.847846 1.29025  0.329135  1.1838   0.340059  
1 1 1 33 7  14 o 11.6273  0.0964492 135.231      2.24289  135.518      3.24631  134.969      3.10242  11.6379  0.139472  11.6145  0.133557  
1 1 1 33 7  15 o 15.3238  0.122874  234.936      3.76579  234.133      5.32933  235.738      5.32195  15.2937  0.174233  15.3461  0.173398  
1 1 1 33 7  16 o 9.33472  0.089821  87.1653      1.67691  89.2923      2.39833  85.1309      2.34557  9.44637  0.126945  9.22361  0.12715   
1 1 1 33 7  17 o 9.59815  0.0914198 92.1611      1.75492  89.0403      2.46148  95.3874      2.5027   9.43226  0.130482  9.7628   0.128175  
1 1 1 33 7  18 o 9.94814  0.0913181 99.0113      1.81689  99.3325      2.63125  98.7185      2.51184  9.96177  0.132067  9.93133  0.126461  
1 1 1 33 7  19 o 4.45657  0.0906656 19.8715      0.808116 19.904       1.16356  19.8412      1.12321  4.45893  0.130475  4.45205  0.126145  
1 1 1 33 7  20 o 7.07921  0.0814631 50.1405      1.15339  49.9548      1.59267  50.3453      1.67253  7.06442  0.112725  7.09165  0.117923  
1 1 1 33 7  21 o 0.824246 0.306573  0.52431      0.674754 0.301076     0.934198 0.767791     0.975644 0.857305 0.347952  0.991871 0.368699  
1 1 1 33 7  22 o 2.58587  0.137615  6.70087      0.71171  6.75887      0.993226 6.63965      1.02034  2.59447  0.191412  2.5711   0.198425  
1 1 1 33 7  23 o 2.98179  0.128342  8.91045      0.765375 9.84451      1.08771  7.99437      1.07718  3.13135  0.17368   2.82063  0.190947  
1 1 1 33 7  24 o 1.78688  0.199867  3.21224      0.714278 3.53181      0.973343 2.83932      1.05146  1.86964  0.260302  1.64295  0.331607  
1 1 1 33 7  25 o 2.76144  0.141831  7.65309      0.783313 9.28121      1.06136  5.7054       1.16086  3.03816  0.174672  2.37584  0.244304  
1 1 1 33 7  26 o 1.89592  0.19808   3.62344      0.751087 5.6828       1.06201  1.56264      1.06238  2.37177  0.223887  1.23412  0.387206  
1 1 1 33 7  27 o 4.72323  0.0978993 22.3596      0.924802 22.0653      1.2827   22.6782      1.33457  4.68698  0.136837  4.75107  0.14045   
1 1 1 33 7  28 o 2.2776   0.182821  5.23667      0.832788 5.69938      1.17772  4.77393      1.17776  2.3668   0.248799  2.16248  0.272318  
1 1 1 33 7  29 o 1.72931  0.241342  3.04666      0.834707 5.29425      1.23342  1.14753      1.13378  2.27372  0.271233  1.11529  0.399503  
1 1 1 33 7  30 o 1.34839  0.325296  1.95955      0.868424 3.28433      1.23466  0.662391     1.22172  1.74063  0.366211  1.01535  0.403385  
1 1 1 33 7  31 o 1.56286  0.292922  2.60031      0.881769 2.22212      1.21729  3.01782      1.27901  1.42348  0.407002  1.65612  0.391786  
1 1 1 33 7  32 o 2.83768  0.153622  8.14739      0.871859 6.67483      1.20498  9.76534      1.26306  2.54842  0.236417  3.09308  0.204175  
1 1 1 33 7  33 o 2.29016  0.197728  5.36228      0.90566  5.24673      1.2955   5.47273      1.26659  2.2373   0.289523  2.28957  0.276599  
1 1 1 33 7  34 o 2.43441  0.182837  6.05274      0.890199 4.81098      1.25106  7.32625      1.26695  2.13523  0.292956  2.65858  0.238276  
1 1 1 33 7  35 o 2.98404  0.158417  9.0721       0.945443 8.20156      1.31597  10.0008      1.35919  2.80666  0.234438  3.10723  0.218714  
1 1 1 33 7  36 o 2.25709  0.215985  5.29584      0.974994 4.77407      1.33116  5.89972      1.43206  2.09753  0.317315  2.33803  0.306254  
1 1 1 33 7  37 o 1.87393  0.256384  3.74992      0.960891 1.57169      1.32562  6.16152      1.39483  1.18208  0.431129  2.3795   0.293092  
1 1 1 33 7  38 o 1.00745  0.368104  1.1009       0.966755 1.44712      1.36658  0.754049     1.36782  1.13282  0.432538  0.992468 0.414038  
1 1 1 33 7  39 o 0.850309 0.348774  0.569053     0.948615 -0.20599     1.36796  1.28699      1.3166   0.822091 0.374616  1.06559  0.4202    
1 1 1 33 7  40 o 1.58489  0.351289  3.16854      1.08404  1.68105      1.52287  4.69657      1.54348  1.12074  0.448613  1.85438  0.425042  
1 1 1 33 7  41 o 1.00703  0.382626  1.4044       1.06507  -0.212279    1.45395  3.27656      1.56462  0.784066 0.367512  1.38626  0.471569  
1 1 1 33 7  42 f 0.687188 0.323905  -0.361518    1.1704   -2.11841     1.63854  1.46868      1.67238  0.652884 0.324427  0.980305 0.433311  
1 1 1 33 7  43 o 0.655581 0.313619  -0.248302    1.15788  -0.682671    1.58732  0.245679     1.69274  0.687559 0.337537  0.767026 0.369874  
1 1 1 33 7  44 o 0.554804 0.276128  -1.17395     1.2108   -1.31831     1.69822  -1.0247      1.72678  0.614652 0.309281  0.632364 0.3164    
1 1 1 33 8  0  o 9.9338   0.110819  98.7272      2.20108  98.7272      2.20108  98.7272      2.20108  9.93498  0.0783404 ?        ?         
1 1 1 33 8  1  o 10.5698  0.0780868 111.732      1.65072  112.455      2.34914  111.026      2.32008  10.6034  0.110773  10.5358  0.110104  
1 1 1 33 8  2  o 21.5051  0.150506  462.646      6.47331  464.687      9.40936  460.813      8.91954  21.5478  0.218336  21.4587  0.207831  
1 1 1 33 8  3  o 17.2764  0.119736  298.547      4.13722  303.343      5.93919  294.026      5.76647  17.4123  0.170545  17.143   0.168188  
1 1 1 33 8  4  o 19.8917  0.13666   395.81       5.43679  395.735      7.86611  395.879      7.52294  19.8861  0.197779  19.8903  0.189111  
1 1 1 33 8  5  o 11.4637  0.0867064 131.435      1.98795  130.776      2.84144  132.067      2.78228  11.4341  0.124253  11.4905  0.121069  
1 1 1 33 8  6  o 13.909   0.0968087 193.494      2.69302  193.101      3.8124   193.887      3.80461  13.8935  0.137201  13.9218  0.136643  
1 1 1 33 8  7  o 5.13702  0.0629678 26.3911      0.646933 25.1448      0.91168  27.6551      0.918158 5.01404  0.0909128 5.2584   0.0873039 
1 1 1 33 8  8  o 2.54633  0.0965532 6.48505      0.491713 7.44075      0.669937 5.36897      0.723975 2.72734  0.122819  2.31651  0.156264  
1 1 1 33 8  9  o 13.623   0.0995985 185.626      2.71367  182.815      3.6664   189.031      4.0355   13.5182  0.135609  13.7457  0.146792  
1 1 1 33 8  10 o 25.8627  0.187487  669.401      9.69785  662.377      13.7595  676.335      13.6706  25.7162  0.267526  25.9864  0.263034  
1 1 1 33 8  11 o 13.2188  0.105706  174.784      2.79462  171.603      3.95359  177.96       3.9508   13.0961  0.150945  13.3367  0.148118  
1 1 1 33 8  12 o 10.2509  0.0840944 105.101      1.72409  105.458      2.45613  104.753      2.42072  10.2674  0.119608  10.233   0.11828   
1 1 1 33 8  13 o 2.21439  0.14172   4.90631      0.627648 4.51084      0.917042 5.25483      0.860874 2.12247  0.216032  2.29119  0.187866  
1 1 1 33 8  14 o 5.03049  0.0853155 25.3116      0.858358 26.8762      1.3161   24.1534      1.13233  5.18292  0.126965  4.91359  0.115224  
1 1 1 33 8  15 o 12.4095  0.100345  154.053      2.49046  152.298      3.5925   155.677      3.45559  12.3361  0.145609  12.4727  0.138526  
1 1 1 33 8  16 o 5.96979  0.0927515 35.6519      1.10741  37.2064      1.57068  34.1153      1.56159  6.09744  0.128799  5.83849  0.133733  
1 1 1 33 8  17 f 8.21058  0.0850326 67.4385      1.39633  69.7909      1.98373  65.1284      1.96582  8.3511   0.118771  8.06717  0.121841  
1 1 1 33 8  18 o 3.36286  0.108179  11.3166      0.727585 11.6033      1.03017  11.0313      1.02776  3.40407  0.151314  3.319    0.15483   
1 1 1 33 8  19 o 6.31931  0.084151  39.9529      1.06355  40.2095      1.47833  39.6776      1.53125  6.33813  0.116622  6.2958   0.121609  
1 1 1 33 8  20 o 6.69572  0.0796707 44.8561      1.06691  45.6381      1.51177  44.0801      1.50591  6.7521   0.111948  6.63575  0.11347   
1 1 1 33 8  21 o 1.04616  0.299587  1.13095      0.659049 1.69182      0.916971 0.531654     0.947867 1.27269  0.349657  0.919185 0.358016  
1 1 1 33 8  22 o 7.24942  0.0815303 52.5949      1.18209  50.4383      1.63947  54.9299      1.70597  7.09644  0.115514  7.40571  0.11518   
1 1 1 33 8  23 o 0.692447 0.291979  0.0507613    0.692083 -0.29645     0.964692 0.41898      0.993447 0.744144 0.328989  0.904937 0.362293  
1 1 1 33 8  24 o 7.27557  0.0837991 52.9932      1.21937  52.926       1.68398  53.0673      1.76799  7.26718  0.115862  7.2761   0.121493  
1 1 1 33 8  25 o 2.55777  0.152827  6.57087      0.781794 5.78866      1.04786  7.55297      1.17413  2.39521  0.218741  2.73645  0.214536  
1 1 1 33 8  26 o 3.87068  0.107505  15.0187      0.832237 15.6583      1.18045  14.3867      1.1735   3.94783  0.149506  3.78346  0.155083  
1 1 1 33 8  27 o 5.10205  0.0979185 26.0933      0.99917  27.1749      1.39406  24.9507      1.43281  5.20133  0.13401   4.98225  0.143792  
1 1 1 33 8  28 o 5.11723  0.101102  26.2645      1.03472  25.8701      1.44703  26.6772      1.48016  5.07126  0.14267   5.14953  0.143718  
1 1 1 33 8  29 o 3.68617  0.126903  13.6618      0.93557  13.1796      1.34754  14.1104      1.29994  3.60897  0.186693  3.73714  0.173921  
1 1 1 33 8  30 o 2.60557  0.17267   6.86182      0.899808 5.81472      1.26107  7.94783      1.28429  2.38122  0.264794  2.79248  0.229956  
1 1 1 33 8  31 f 1.62665  0.26778   2.72233      0.871167 1.56914      1.18976  4.05526      1.27912  1.23187  0.411217  1.97203  0.324316  
1 1 1 33 8  32 o 3.73952  0.124518  14.0937      0.931279 14.3601      1.30291  13.8155      1.33161  3.76107  0.17321   3.68666  0.180599  
1 1 1 33 8  33 o 0.712275 0.311485  -0.0957473   0.841572 0.675751     1.17962  -0.895462    1.201    0.989568 0.395357  0.731018 0.3399    
1 1 1 33 8  34 o 3.03857  0.153563  9.3766       0.933224 8.58679      1.31775  10.1713      1.32182  2.88084  0.228709  3.14356  0.210242  
1 1 1 33 8  35 o 1.37372  0.333123  2.11924      0.907102 3.15866      1.26472  1.01804      1.30176  1.65671  0.388095  1.07693  0.419539  
1 1 1 33 8  36 o 1.73262  0.274828  3.20059      0.952344 2.95167      1.30384  3.48527      1.39435  1.57694  0.409749  1.71492  0.411231  
1 1 1 33 8  37 o 1.77144  0.271263  3.38886      0.961054 5.70673      1.32903  0.848425     1.39138  2.28616  0.290669  1.02851  0.422221  
1 1 1 33 8  38 o 1.20607  0.359818  1.74654      0.933027 1.24447      1.34046  2.2184       1.29949  1.08244  0.424895  1.3205   0.429763  
1 1 1 33 8  39 o 1.08858  0.372944  1.4604       0.978597 0.269364     1.36461  2.72141      1.40412  0.882798 0.390658  1.40265  0.445861  
1 1 1 33 8  40 o 0.831196 0.348765  0.546118     0.979457 -0.362249    1.34971  1.55661      1.42356  0.775333 0.360438  1.08909  0.434568  
1 1 1 33 8  41 o 1.13721  0.393899  1.9327       1.09414  1.58351      1.55359  2.27634      1.54118  1.0292   0.435886  1.15582  0.454993  
1 1 1 33 8  42 o 0.938599 0.385605  1.35615      1.1614   2.73756      1.62371  -0.09098     1.66188  1.15622  0.463057  0.785721 0.375839  
1 1 1 33 8  43 o 0.920864 0.383448  1.51922      1.16978  0.884313     1.61883  2.21303      1.69226  0.825476 0.387078  0.979559 0.434058  
1 1 1 33 9  0  o 15.9723  0.160995  255.249      5.14175  255.249      5.14175  255.249      5.14175  15.9744  0.113813  ?        ?         
1 1 1 33 9  1  o 2.36485  0.0897967 5.59332      0.424711 6.03493      0.627028 5.21895      0.577313 2.45625  0.127639  2.28417  0.126372  
1 1 1 33 9  2  f 13.3305  0.0959673 177.733      2.55859  176.076      3.63324  179.363      3.60373  13.2671  0.136927  13.3904  0.134564  
1 1 1 33 9  3  o 9.88398  0.0764497 97.7037      1.51126  95.8675      2.16122  99.4606      2.11403  9.79008  0.110378  9.97195  0.105999  
1 1 1 33 9  4  o 11.7741  0.0857282 138.649      2.01875  137.759      2.90403  139.482      2.80826  11.7353  0.12373   11.8087  0.118907  
1 1 1 33 9  5  o 25.1504  0.177403  632.942      8.92353  627.324      12.6658  638.479      12.5742  25.0304  0.25301   25.2525  0.24897   
1 1 1 33 9  6  o 8.70287  0.0721239 75.7481      1.25537  75.2756      1.86755  76.1376      1.69561  8.67512  0.107638  8.72484  0.0971712 
1 1 1 33 9  7  o 1.20378  0.191882  1.4502       0.461967 1.74415      0.604029 1.03594      0.717055 1.29893  0.241538  1.02047  0.3177    
1 1 1 33 9  8  f 15.9504  0.111434  254.483      3.55482  245.262      4.9282   264.484      5.13258  15.6567  0.157383  16.2586  0.157842  
1 1 1 33 9  9  o 7.68856  0.0839841 59.1231      1.29143  62.3614      1.88922  56.2825      1.76939  7.89567  0.119636  7.50101  0.117943  
1 1 1 33 9  10 o 7.23539  0.0743497 52.3576      1.0759   54.8336      1.57545  50.1936      1.47283  7.40399  0.106392  7.08384  0.103957  
1 1 1 33 9  11 o 8.33396  0.0811696 69.4663      1.35293  67.0455      1.89472  71.9847      1.93249  8.18674  0.115719  8.48298  0.113904  
1 1 1 33 9  12 o 12.931   0.0976802 167.255      2.52621  165.279      3.58997  169.193      3.55547  12.8526  0.139659  13.0041  0.136706  
1 1 1 33 9  13 o 10.038   0.0876841 100.784      1.76034  99.2993      2.51614  102.208      2.46369  9.96252  0.12628   10.1075  0.121874  
1 1 1 33 9  14 o 6.75573  0.0867827 45.6514      1.17256  46.5459      1.82794  45.0259      1.52846  6.8204   0.134006  6.70867  0.113916  
1 1 1 33 9  15 o 5.46715  0.0842398 29.8982      0.921104 31.25        1.29192  28.5007      1.31363  5.58866  0.115584  5.33697  0.123068  
1 1 1 33 9  16 o 4.52102  0.0909237 20.4476      0.822136 19.5862      1.1224   21.4448      1.20762  4.42394  0.126855  4.62899  0.130441  
1 1 1 33 9  17 o 6.32557  0.0827367 40.0278      1.04671  39.9557      1.4211   40.1134      1.54752  6.31889  0.112449  6.33095  0.122219  
1 1 1 33 9  18 f 8.87796  0.086861  78.8552      1.5423   78.6876      2.15685  79.0306      2.20626  8.86648  0.121629  8.88562  0.124148  
1 1 1 33 9  19 o 8.00864  0.084118  64.1715      1.34734  63.6021      1.90411  64.7425      1.90675  7.9709   0.119442  8.0421   0.118548  
1 1 1 33 9  20 f 2.79723  0.12133   7.83482      0.678775 8.50454      0.934105 7.08555      0.98803  2.91289  0.16034   2.65774  0.185878  
1 1 1 33 9  21 o 4.47053  0.0879837 20.0024      0.786668 19.6114      1.08477  20.436       1.14251  4.4249   0.122576  4.51674  0.126475  
1 1 1 33 9  22 o 5.18676  0.0891738 26.9291      0.925047 25.8142      1.28674  28.1217      1.3308   5.07568  0.126756  5.29778  0.125599  
1 1 1 33 9  23 o 5.31102  0.0851976 28.2365      0.904972 28.2943      1.2638   28.1757      1.29647  5.31377  0.118918  5.30231  0.122255  
1 1 1 33 9  24 o 3.28567  0.118773  10.8213      0.780497 11.539       1.06671  9.99432      1.14502  3.38979  0.157342  3.15256  0.181602  
1 1 1 33 9  25 o 1.96824  0.195494  3.90317      0.769559 3.18905      1.06244  4.69136      1.11619  1.7428   0.316478  2.15176  0.259365  
1 1 1 33 9  26 o 1.64731  0.221147  2.7429       0.728596 3.0255       1.02499  2.45426      1.03588  1.69545  0.314076  1.51749  0.348465  
1 1 1 33 9  27 o 1.8385   0.211449  3.42008      0.777496 3.83921      1.07384  2.95826      1.1272   1.93995  0.276769  1.66379  0.34981   
1 1 1 33 9  28 o 3.49436  0.126646  12.27        0.885097 12.3853      1.24653  12.1526      1.25697  3.50252  0.177948  3.46885  0.181179  
1 1 1 33 9  29 o 1.38474  0.309117  2.0563       0.834184 2.03408      1.23744  2.07481      1.12938  1.3738   0.415298  1.38258  0.390987  
1 1 1 33 9  30 f 2.7465   0.167947  7.62322      0.92253  5.77218      1.30695  9.46129      1.30237  2.36871  0.275879  3.04976  0.213519  
1 1 1 33 9  31 o 3.21918  0.145733  10.4573      0.938279 9.23994      1.30837  11.7463      1.34629  3.00922  0.217395  3.39866  0.198062  
1 1 1 33 9  32 o 1.15985  0.336484  1.45973      0.826104 2.42561      1.18177  0.536718     1.15525  1.47253  0.393587  0.957027 0.387547  
1 1 1 33 9  33 o 1.99819  0.212802  4.10055      0.850441 3.38773      1.19934  4.82141      1.2061   1.74957  0.355121  2.14573  0.281046  
1 1 1 33 9  34 o 0.960631 0.349223  0.876268     0.869168 -1.03223     1.2137   2.88539      1.24528  0.714202 0.334947  1.58674  0.393768  
1 1 1 33 9  35 o 2.2111   0.212146  5.05699      0.938153 4.18685      1.30012  6.00224      1.35508  1.9356   0.348556  2.37724  0.285012  
1 1 1 33 9  36 o 1.12795  0.356986  1.42971      0.900864 1.60672      1.25376  1.24078      1.29528  1.19962  0.421063  1.11464  0.422412  
1 1 1 33 9  37 o 0.890697 0.355314  0.64735      0.95144  0.840339     1.28981  0.41699      1.40918  1.00291  0.408245  0.950328 0.409184  
1 1 1 33 9  38 o 1.23144  0.352237  1.82647      0.911562 2.40278      1.31398  1.29177      1.26566  1.36371  0.431091  1.08018  0.415149  
1 1 1 33 9  39 o 0.993504 0.369803  1.15056      0.982158 -0.443982    1.34894  2.94956      1.43281  0.777853 0.361119  1.44605  0.448871  
1 1 1 33 9  40 o 1.11085  0.376215  1.63467      0.995842 1.109        1.43639  2.12119      1.38186  0.99835  0.420786  1.20603  0.440149  
1 1 1 33 9  41 o 0.592529 0.28938   -1.28717     1.13265  -1.38698     1.71506  -1.20997     1.50839  0.723035 0.353807  0.694431 0.338198  
1 1 1 33 9  42 o 0.709483 0.33274   0.0161067    1.19798  -0.211448    1.63045  0.283087     1.76605  0.752641 0.362954  0.808208 0.386798  
1 1 1 33 9  43 o 0.640382 0.309118  -0.466856    1.1897   -0.0588108   1.70756  -0.851786    1.65849  0.746723 0.362594  0.687133 0.338415  
1 1 1 33 10 0  o 28.9582  0.272308  839.394      15.768   839.394      15.768   839.394      15.768   28.9652  0.192485  ?        ?         
1 1 1 33 10 1  o 11.8176  0.0861701 139.675      2.03664  138.539      2.79984  140.953      2.96801  11.7686  0.118954  11.8706  0.125016  
1 1 1 33 10 2  o 5.97754  0.0613724 35.7337      0.733713 35.5487      1.06845  35.8987      1.00932  5.96181  0.0896083 5.99114  0.0842346 
1 1 1 33 10 3  o 10.425   0.0807022 108.695      1.68264  107.61       2.39123  109.759      2.36817  10.3722  0.115272  10.4752  0.113036  
1 1 1 33 10 4  o 1.71479  0.117722  2.94135      0.403739 2.97694      0.578597 2.90757      0.563642 1.72489  0.16772   1.70469  0.165321  
1 1 1 33 10 5  o 7.27571  0.0702628 52.9413      1.02242  49.7234      1.37619  56.9055      1.52746  7.05079  0.0975914 7.54277  0.101253  
1 1 1 33 10 6  o 11.5422  0.0883276 133.245      2.039    132.732      2.90295  133.745      2.86459  11.519   0.126007  11.563   0.123869  
1 1 1 33 10 7  o 16.2136  0.117871  262.958      3.82222  262.485      5.46488  263.411      5.34788  16.1964  0.168706  16.2252  0.164802  
1 1 1 33 10 8  o 19.5517  0.142052  382.438      5.55471  384.297      8.08336  380.775      7.64597  19.5943  0.206268  19.5052  0.195998  
1 1 1 33 10 9  o 7.98841  0.0792142 63.8239      1.26559  62.0678      1.85415  65.3558      1.73174  7.87704  0.117693  8.08321  0.10712   
1 1 1 33 10 10 o 15.9493  0.118397  254.468      3.77671  249.283      5.38479  259.489      5.29842  15.783   0.170589  16.1032  0.164514  
1 1 1 33 10 11 o 4.0061   0.0824802 16.0517      0.660847 15.7881      0.933358 16.3167      0.935804 3.97269  0.117472  4.03866  0.115856  
1 1 1 33 10 12 o 17.3465  0.124386  301.037      4.31532  294.981      6.21879  306.662      5.99304  17.1668  0.181128  17.5043  0.171188  
1 1 1 33 10 13 o 9.75557  0.0873315 95.1942      1.70394  93.4531      2.41844  96.9105      2.40112  9.66472  0.125117  9.84199  0.121983  
1 1 1 33 10 14 f 9.68892  0.0937337 93.9056      1.81636  94.7305      2.55962  93.0689      2.57792  9.72984  0.131534  9.64403  0.133653  
1 1 1 33 10 15 o 15.8792  0.119164  252.309      3.78446  248.88       5.38251  255.661      5.32207  15.7656  0.170704  15.9795  0.166528  
1 1 1 33 10 16 o 11.8996  0.0987228 141.67       2.34952  143.718      3.28331  139.521      3.36361  11.9826  0.137004  11.8059  0.142455  
1 1 1 33 10 17 o 10.0319  0.0921358 100.688      1.84859  98.503       2.57807  103          2.65211  9.92002  0.129943  10.1439  0.130724  
1 1 1 33 10 18 o 1.43922  0.229129  2.07859      0.659536 2.19175      0.934794 1.96643      0.930669 1.44664  0.330232  1.36998  0.340676  
1 1 1 33 10 19 o 11.3311  0.0938295 128.482      2.12638  130.388      3.00995  126.584      3.00437  11.4108  0.13189   11.243   0.133611  
1 1 1 33 10 20 o 7.65071  0.0811565 58.5716      1.24181  61.1103      1.75451  56.0232      1.75786  7.81245  0.112289  7.47977  0.117508  
1 1 1 33 10 21 o 5.23627  0.085305  27.441       0.89336  28.436       1.23907  26.3637      1.28923  5.32848  0.116269  5.12999  0.125656  
1 1 1 33 10 22 f 5.24105  0.0857468 27.4954      0.898806 27.9969      1.24521  26.9499      1.29868  5.28633  0.117776  5.18592  0.125212  
1 1 1 33 10 23 o 2.50829  0.138755  6.30978      0.696075 7.01115      0.96612  5.5527       1.00376  2.64112  0.182899  2.34824  0.213725  
1 1 1 33 10 24 o 6.79225  0.0856983 46.1951      1.16417  46.7012      1.59435  45.617       1.70387  6.8255   0.116794  6.74442  0.126317  
1 1 1 33 10 25 o 5.14939  0.0932702 26.5632      0.960571 28.7055      1.31832  24.1385      1.40249  5.34954  0.123218  4.90296  0.143025  
1 1 1 33 10 26 o 3.91202  0.106756  15.3444      0.835261 13.8415      1.17117  16.9001      1.19157  3.70973  0.157851  4.10097  0.145279  
1 1 1 33 10 27 f 2.41362  0.168801  5.87176      0.814842 5.42673      1.10439  6.40349      1.20718  2.3114   0.2389    2.51057  0.24042   
1 1 1 33 10 28 o 1.11959  0.321514  1.32656      0.758006 -0.249644    1.09329  2.78558      1.05187  0.797064 0.351585  1.612    0.337177  
1 1 1 33 10 29 o 2.66722  0.166655  7.18526      0.88901  7.33073      1.32598  7.06647      1.1982   2.67794  0.247575  2.63369  0.227476  
1 1 1 33 10 30 o 1.78802  0.235512  3.26689      0.842202 4.05663      1.20184  2.50488      1.18055  1.97849  0.303728  1.51009  0.388677  
1 1 1 33 10 31 o 4.71685  0.111501  22.3793      1.05187  23.0558      1.48731  21.7023      1.48781  4.77445  0.155757  4.63053  0.160653  
1 1 1 33 10 32 o 0.915219 0.339614  0.731797     0.82707  0.869128     1.1766   0.597663     1.16283  1.03513  0.399764  0.970558 0.390549  
1 1 1 33 10 33 o 1.15898  0.340247  1.47187      0.839822 0.947976     1.18328  2.00363      1.19214  1.04973  0.402     1.3353   0.408424  
1 1 1 33 10 34 o 2.65141  0.172919  7.18235      0.916958 6.93252      1.27742  7.44792      1.31704  2.57636  0.247911  2.67104  0.24654   
1 1 1 33 10 35 o 0.764542 0.329522  0.0554397    0.91566  -0.512701    1.24719  0.719751     1.34862  0.788709 0.358946  1.02329  0.417144  
1 1 1 33 10 36 o 1.69326  0.269874  3.05897      0.913932 2.86476      1.27647  3.26324      1.30914  1.54986  0.406692  1.66052  0.398645  
1 1 1 33 10 37 o 0.951349 0.364752  0.880032     0.9751   2.22811      1.36062  -0.543427    1.39814  1.33041  0.439754  0.808235 0.372309  
1 1 1 33 10 38 o 1.22491  0.350703  1.81746      0.903223 1.98417      1.25293  1.63709      1.30326  1.24775  0.421992  1.1589   0.427007  
1 1 1 33 10 39 o 1.90344  0.262533  4.07145      0.999431 3.25369      1.39716  4.9284       1.43024  1.52352  0.436172  1.96918  0.376603  
1 1 1 33 10 40 o 1.37415  0.354847  2.48005      0.981721 3.62333      1.3632   1.24829      1.41497  1.59047  0.421636  1.00752  0.420766  
1 1 1 33 10 41 o 0.995497 0.395031  1.45518      1.17037  0.490809     1.66517  2.39668      1.64531  0.8749   0.404268  1.1478   0.463445  
1 1 1 33 10 42 o 0.72354  0.336925  0.19547      1.18566  0.484481     1.61484  -0.142562    1.74643  0.803115 0.379109  0.76187  0.368974  
1 1 1 33 10 43 o 0.728068 0.338213  0.420331     1.18556  0.615147     1.65985  0.217433     1.69393  0.782995 0.374793  0.752154 0.364115  
1 1 1 33 11 0  o 15.0011  0.146443  225.146      4.39267  225.146      4.39267  225.146      4.39267  15.003   0.103527  ?        ?         
1 1 1 33 11 1  o 19.2159  0.129579  369.375      4.97994  367.728      7.015    371.049      7.07072  19.1697  0.182971  19.256   0.183598  
1 1 1 33 11 2  o 5.44157  0.0654761 29.6133      0.712586 31.1177      1.0825   28.4629      0.946615 5.57778  0.0970364 5.33464  0.0887235 
1 1 1 33 11 3  o 18.4051  0.12865   338.865      4.73565  338.293      6.61549  339.466      6.78204  18.3866  0.1799    18.4181  0.184113  
1 1 1 33 11 4  o 6.1253   0.0640862 37.5225      0.785095 36.6512      1.06348  38.5661      1.16388  6.05354  0.0878398 6.20959  0.0937164 
1 1 1 33 11 5  o 3.26829  0.0747136 10.683       0.488372 10.349       0.68151  11.0356      0.700192 3.2166   0.105937  3.32159  0.1054    
1 1 1 33 11 6  o 15.3852  0.107653  236.763      3.31252  235.146      4.61703  238.478      4.75524  15.3307  0.150581  15.4388  0.154003  
1 1 1 33 11 7  o 14.1846  0.106301  201.252      3.01565  201.773      4.28402  200.741      4.24579  14.2011  0.150834  14.1648  0.149871  
1 1 1 33 11 8  o 22.0244  0.156944  485.351      6.91321  476.767      9.7509   494.025      9.80282  21.8223  0.223415  22.2141  0.220644  
1 1 1 33 11 9  o 17.1782  0.131507  295.217      4.51812  292.288      6.78049  297.555      6.05933  17.0881  0.198397  17.2432  0.175702  
1 1 1 33 11 10 o 15.1263  0.110834  228.878      3.35299  225.657      4.81716  231.904      4.66996  15.0168  0.160393  15.2237  0.153378  
1 1 1 33 11 11 o 11.2318  0.0873976 126.18       1.96326  125.172      2.85636  127.083      2.70294  11.1854  0.127682  11.2708  0.119909  
1 1 1 33 11 12 o 6.36952  0.0787531 40.5785      1.00324  41.4952      1.47091  39.7811      1.37185  6.44038  0.114194  6.30608  0.108772  
1 1 1 33 11 13 o 8.31966  0.0856577 69.2344      1.42529  68.1097      2.07832  70.2329      1.95834  8.25059  0.12595   8.37852  0.116867  
1 1 1 33 11 14 o 7.00085  0.0793142 49.0245      1.11053  48.2573      1.49657  49.9647      1.65667  6.94508  0.107743  7.06656  0.117219  
1 1 1 33 11 15 o 8.714    0.0842766 75.9594      1.46877  76.615       2.06928  75.2936      2.08512  8.75008  0.118244  8.6742   0.120191  
1 1 1 33 11 16 o 9.4844   0.0840969 89.9884      1.59522  91.5508      2.21792  88.3139      2.29607  9.56474  0.115942  9.39375  0.122213  
1 1 1 33 11 17 o 6.76405  0.0841928 45.7723      1.13897  45.6849      1.64034  45.8537      1.5827   6.75597  0.121399  6.76866  0.116913  
1 1 1 33 11 18 o 11.6776  0.0949875 136.453      2.21845  135.799      3.10699  137.134      3.16863  11.6458  0.133395  11.7027  0.135381  
1 1 1 33 11 19 f 3.15651  0.106887  9.9734       0.674783 10.7694      0.931488 9.09443      0.978847 3.2788   0.142047  3.01224  0.162478  
1 1 1 33 11 20 o 7.08681  0.0789355 50.2559      1.1188   50.9473      1.57075  49.5439      1.59395  7.1332   0.110102  7.034    0.113303  
1 1 1 33 11 21 o 7.37033  0.0828912 54.3662      1.22187  55.3128      1.69021  53.3301      1.76842  7.43151  0.113719  7.29633  0.121186  
1 1 1 33 11 22 o 3.75975  0.0983559 14.1549      0.739587 14.3275      1.01876  13.9625      1.0754   3.78035  0.134744  3.7312   0.144109  
1 1 1 33 11 23 o 3.88427  0.101257  15.1123      0.78662  15.4344      1.07001  14.7334      1.16037  3.92278  0.136385  3.83132  0.151432  
1 1 1 33 11 24 o 4.4702   0.0975249 20.0183      0.871912 19.9962      1.21363  20.0419      1.25347  4.46398  0.135936  4.46859  0.140254  
1 1 1 33 11 25 o 1.56054  0.226042  2.4614       0.705496 3.2593       0.959959 1.52432      1.04032  1.79201  0.267844  1.2194   0.383281  
1 1 1 33 11 26 o 3.39662  0.119633  11.5775      0.812698 12.2051      1.1313   10.9083      1.16825  3.48234  0.162434  3.29009  0.17754   
1 1 1 33 11 27 o 4.5386   0.103724  20.6629      0.941522 20.9217      1.2751   20.3526      1.39614  4.56127  0.139775  4.49588  0.155268  
1 1 1 33 11 28 o 3.05571  0.13616   9.3942       0.832129 8.86483      1.20036  9.88396      1.15459  2.9572   0.202957  3.1262   0.184663  
1 1 1 33 11 29 o 7.2325   0.101938  52.5037      1.47454  53.2591      2.13971  51.8204      2.03486  7.26948  0.14717   7.1726   0.14185   
1 1 1 33 11 30 o 3.64654  0.130734  13.3879      0.953451 12.639       1.36438  14.1027      1.33294  3.52879  0.193321  3.73155  0.178604  
1 1 1 33 11 31 o 3.82892  0.128271  14.7811      0.982282 13.9772      1.35854  15.6619      1.42194  3.70782  0.183199  3.92565  0.181109  
1 1 1 33 11 32 o 2.73071  0.162955  7.56989      0.889968 7.15734      1.25815  7.98303      1.25906  2.63256  0.238959  2.78491  0.226051  
1 1 1 33 11 33 o 1.18703  0.336181  1.55502      0.834357 0.526848     1.18014  2.58256      1.17978  0.953583 0.389719  1.5079   0.388807  
1 1 1 33 11 34 o 2.41217  0.186765  5.97023      0.901015 6.23416      1.26559  5.69896      1.28305  2.43633  0.259732  2.32212  0.276266  
1 1 1 33 11 35 o 0.64742  0.298941  -0.588242    0.908399 -0.194788    1.24952  -1.02931     1.32296  0.832798 0.370595  0.747232 0.350304  
1 1 1 33 11 36 o 1.02036  0.362042  1.10497      0.929155 1.65401      1.27273  0.478415     1.35961  1.20271  0.424028  0.962614 0.407732  
1 1 1 33 11 37 o 0.659606 0.304779  -0.522618    0.946362 0.980435     1.32242  -2.10037     1.35488  1.03023  0.415689  0.642334 0.314352  
1 1 1 33 11 38 o 0.770741 0.331226  0.225376     0.920168 1.09383      1.26139  -0.762431    1.34528  1.02484  0.409024  0.752074 0.352695  
1 1 1 33 11 39 o 0.876864 0.355694  0.735663     0.975488 -0.097939    1.32514  1.72176      1.44126  0.807316 0.368104  1.13163  0.441323  
1 1 1 33 11 40 o 1.54313  0.354236  3.14079      1.07075  3.19506      1.51751  3.08699      1.51106  1.40264  0.464416  1.37763  0.463427  
1 1 1 33 11 41 o 0.803328 0.358916  0.453643     1.18254  0.639338     1.75169  0.29815      1.60292  0.894132 0.413721  0.84204  0.391968  
1 1 1 33 11 42 o 0.80145  0.358937  0.814041     1.18899  1.63495      1.65932  -0.0522482   1.70456  0.915722 0.416021  0.754561 0.365276  
1 1 1 33 11 43 o 0.888897 0.38263   1.67757      1.23158  0.374068     1.73755  2.99365      1.74591  0.737707 0.359936  0.990794 0.439726  
1 1 1 33 12 0  o 15.2953  0.149053  234.068      4.55867  234.068      4.55867  234.068      4.55867  15.2973  0.105372  ?        ?         
1 1 1 33 12 1  o 16.4282  0.112297  269.956      3.68967  271.689      5.25139  268.266      5.18521  16.4786  0.15934   16.3745  0.158332  
1 1 1 33 12 2  o 23.8264  0.168596  568.038      8.03408  565.624      11.1802  570.615      11.5527  23.7689  0.235186  23.8728  0.241964  
1 1 1 33 12 3  o 15.8809  0.111359  252.269      3.53695  252.51       5.0043   252.028      4.99971  15.8864  0.157503  15.8712  0.157509  
1 1 1 33 12 4  o 6.50286  0.0622602 42.2907      0.809738 43.1285      1.18198  41.5497      1.11155  6.56665  0.0899989 6.44539  0.0862279 
1 1 1 33 12 5  o 14.6607  0.106191  214.99       3.11366  213.876      4.38697  216.121      4.41998  14.6209  0.150024  14.6974  0.150366  
1 1 1 33 12 6  f 11.6529  0.0893762 135.814      2.08298  135.026      3.0456   136.507      2.85518  11.6178  0.131074  11.6817  0.122208  
1 1 1 33 12 7  o 18.58    0.133583  345.361      4.96395  347.344      7.13728  343.503      6.90848  18.6292  0.191562  18.5263  0.186451  
1 1 1 33 12 8  o 20.4822  0.148189  419.747      6.07048  415.495      8.52015  424.131      8.65127  20.3727  0.209107  20.5832  0.210154  
1 1 1 33 12 9  o 9.70074  0.0833326 94.1213      1.61677  93.461       2.39562  94.6736      2.19098  9.66557  0.123926  9.72842  0.112607  
1 1 1 33 12 10 o 3.30601  0.0928227 10.9324      0.613746 12.1276      0.921979 9.98125      0.822458 3.48161  0.132407  3.15856  0.130195  
1 1 1 33 12 11 o 4.46712  0.0795082 19.959       0.710345 19.2231      0.986623 20.7509      1.02355  4.38358  0.112536  4.55445  0.112369  
1 1 1 33 12 12 o 9.67171  0.0937009 93.5691      1.81249  96.3507      2.68034  91.2254      2.46029  9.81281  0.136574  9.54857  0.12883   
1 1 1 33 12 13 o 9.57881  0.0848949 91.7791      1.62639  92.4394      2.27743  91.092       2.32337  9.61192  0.118469  9.54147  0.121751  
1 1 1 33 12 14 o 4.91331  0.0807676 24.1477      0.793672 24.2021      1.13352  24.0954      1.11164  4.91807  0.115241  4.90727  0.113264  
1 1 1 33 12 15 o 5.34705  0.0793913 28.6002      0.849019 27.6626      1.16411  29.6657      1.24096  5.25788  0.110701  5.44481  0.113958  
1 1 1 33 12 16 o 10.9701  0.0904665 120.401      1.98485  121.586      2.76643  119.142      2.84943  11.0216  0.1255    10.9098  0.13059   
1 1 1 33 12 17 o 4.85929  0.0852109 23.624       0.828129 23.3248      1.17556  23.9188      1.16679  4.82718  0.121764  4.88836  0.119344  
1 1 1 33 12 18 o 13.2202  0.104909  174.923      2.77383  178.488      4.0183   171.678      3.83377  13.3481  0.150519  13.0916  0.146421  
1 1 1 33 12 19 o 4.32554  0.0864147 18.7237      0.747581 18.5093      1.03508  18.9575      1.08089  4.29926  0.120378  4.35081  0.124217  
1 1 1 33 12 20 o 3.97394  0.0986566 15.8092      0.784111 16.2948      1.06974  15.2453      1.15271  4.03276  0.132631  3.89983  0.147789  
1 1 1 33 12 21 o 8.27873  0.0812925 68.5954      1.346    68.5243      1.86134  68.6733      1.94872  8.27123  0.112519  8.27959  0.117682  
1 1 1 33 12 22 o 5.0477   0.0841696 25.5057      0.849726 25.1922      1.1604   25.8683      1.24773  5.01423  0.115711  5.08043  0.122798  
1 1 1 33 12 23 o 5.71415  0.0867247 32.6933      0.991115 33.3605      1.36217  31.9428      1.44477  5.76896  0.11806   5.64387  0.127995  
1 1 1 33 12 24 o 2.5377   0.141205  6.46527      0.716671 6.53518      0.970648 6.38147      1.06264  2.54731  0.190524  2.51513  0.21125   
1 1 1 33 12 25 o 3.44342  0.112749  11.8903      0.776485 11.5569      1.04913  12.2942      1.15467  3.39069  0.154707  3.4959   0.165147  
1 1 1 33 12 26 o 3.04538  0.132531  9.31694      0.807215 8.80349      1.08606  9.95065      1.20657  2.95412  0.183822  3.13943  0.192164  
1 1 1 33 12 27 o 2.30981  0.165512  5.37906      0.764605 6.10189      1.04386  4.54232      1.12311  2.45367  0.212714  2.10906  0.266259  
1 1 1 33 12 28 o 3.48449  0.127123  12.2097      0.885921 12.3024      1.27573  12.1234      1.23122  3.48714  0.182919  3.46278  0.177779  
1 1 1 33 12 29 o 3.05634  0.145606  9.41377      0.890047 8.31354      1.23365  10.6082      1.28538  2.85885  0.215759  3.23352  0.198758  
1 1 1 33 12 30 o 1.72436  0.25186   3.04953      0.868595 2.24478      1.28209  3.73225      1.1809   1.43051  0.420537  1.89468  0.311634  
1 1 1 33 12 31 o 1.16596  0.337514  1.47419      0.832061 2.06857      1.16438  0.853955     1.18945  1.36642  0.400471  1.03807  0.401724  
1 1 1 33 12 32 o 2.81173  0.161847  8.02667      0.910141 8.90514      1.28237  7.13504      1.29195  2.9436   0.217824  2.62509  0.246077  
1 1 1 33 12 33 o 1.18374  0.344063  1.54967      0.862941 2.28401      1.24643  0.873665     1.1959   1.41292  0.414418  1.03157  0.402068  
1 1 1 33 12 34 o 0.879907 0.343475  0.60343      0.873427 1.11265      1.23605  0.095586     1.23438  1.08736  0.412474  0.879302 0.380832  
1 1 1 33 12 35 o 1.03651  0.355647  1.14811      0.890151 1.582        1.2287   0.668834     1.29137  1.19275  0.417006  0.992185 0.406945  
1 1 1 33 12 36 o 1.60663  0.306117  2.90514      0.948275 2.46084      1.30472  3.40264      1.38062  1.41393  0.42624   1.66984  0.414749  
1 1 1 33 12 37 o 0.777499 0.335319  0.167101     0.949309 0.368639     1.33822  -0.0370527   1.34687  0.918038 0.397053  0.857075 0.382984  
1 1 1 33 12 38 o 1.91061  0.248708  3.99935      0.950365 4.16903      1.31691  3.81493      1.37288  1.8374   0.371353  1.72222  0.404938  
1 1 1 33 12 39 o 1.22506  0.363736  1.9502       0.955002 2.78882      1.2986   0.962426     1.40935  1.40846  0.425369  0.980694 0.415242  
1 1 1 33 12 40 o 1.06111  0.385711  1.60495      1.06026  0.54949      1.49355  2.67721      1.50538  0.882061 0.398332  1.26188  0.45951   
1 1 1 33 12 41 o 1.09925  0.40227   1.93067      1.15493  2.23817      1.66601  1.64618      1.60248  1.09897  0.457608  1.00757  0.435116  
1 1 1 33 12 42 o 0.965075 0.390294  1.76895      1.16954  2.32903      1.68415  1.24728      1.62538  0.986424 0.435576  0.85721  0.397359  
1 1 1 33 12 43 o 0.759698 0.351043  1.02348      1.25566  1.39593      1.84641  0.70304      1.71266  0.77997  0.378208  0.730482 0.35658   
1 1 1 33 13 0  o 12.329   0.126891  152.08       3.12815  152.08       3.12815  152.08       3.12815  12.3305  0.089704  ?        ?         
1 1 1 33 13 1  o 23.7831  0.162707  565.957      7.73933  563.792      10.6846  568.347      11.2256  23.7313  0.225116  23.8257  0.235577  
1 1 1 33 13 2  o 9.78869  0.0750794 95.8302      1.46986  94.3132      2.07567  97.3561      2.08173  9.71029  0.10688   9.86572  0.105503  
1 1 1 33 13 3  o 11.3637  0.0852592 129.155      1.93772  131.558      2.81539  126.992      2.67102  11.468   0.12275   11.2673  0.118529  
1 1 1 33 13 4  f 7.07847  0.0661413 50.1096      0.936359 49.1307      1.3512   51.014       1.29878  7.00861  0.0963957 7.14175  0.0909286 
1 1 1 33 13 5  o 7.54295  0.0702552 56.9025      1.05986  55.949       1.51341  57.8202      1.48475  7.47903  0.101177  7.60313  0.0976406 
1 1 1 33 13 6  o 13.2242  0.0978781 174.918      2.58871  176.634      3.7806   173.403      3.55206  13.2872  0.142265  13.1654  0.134901  
1 1 1 33 13 7  o 4.40838  0.0780887 19.4368      0.68849  21.4512      1.18649  18.4142      0.845372 4.63059  0.128115  4.29065  0.0985132 
1 1 1 33 13 8  o 23.2705  0.167708  541.916      7.8053   538.016      11.2713  545.509      10.8193  23.1771  0.243155  23.3396  0.23178   
1 1 1 33 13 9  o 26.9549  0.184567  727.256      9.94998  724.833      14.0517  729.692      14.0912  26.8971  0.261213  26.9871  0.261072  
1 1 1 33 13 10 o 16.7899  0.121865  282.025      4.09221  283.753      5.98746  280.511      5.60588  16.837   0.177806  16.7414  0.167425  
1 1 1 33 13 11 o 9.69443  0.0901637 94.0065      1.74817  97.7168      2.59125  90.9072      2.36834  9.88245  0.131103  9.53216  0.124229  
1 1 1 33 13 12 o 1.76114  0.18042   3.10533      0.635488 1.10091      0.937214 4.81119      0.864603 1.08407  0.364973  2.19186  0.19723   
1 1 1 33 13 13 o 7.96735  0.0776287 63.4952      1.23699  61.0713      1.73429  66.0052      1.76484  7.8127   0.110992  8.12226  0.108642  
1 1 1 33 13 14 o 10.0778  0.0872123 101.601      1.75782  103.958      2.46371  99.1568      2.50879  10.1923  0.120861  9.95388  0.12602   
1 1 1 33 13 15 o 3.8285   0.0906447 14.6641      0.694067 14.7732      0.941285 14.534       1.02749  3.84201  0.122499  3.81045  0.134825  
1 1 1 33 13 16 o 10.3875  0.0885833 107.954      1.84033  106.578      2.59695  109.342      2.60832  10.3185  0.125839  10.4516  0.124781  
1 1 1 33 13 17 o 0.876061 0.299609  0.706828     0.631578 1.00332      0.897245 0.415639     0.88918  1.04251  0.357106  0.870658 0.344691  
1 1 1 33 13 18 o 10.2322  0.0922537 104.774      1.88792  103.711      2.68632  105.812      2.65381  10.1762  0.13199   10.2791  0.129087  
1 1 1 33 13 19 o 1.08778  0.295306  1.23348      0.658878 0.738822     0.895526 1.81726      0.97286  0.960036 0.353941  1.31783  0.359315  
1 1 1 33 13 20 o 4.23516  0.0922918 17.9544      0.781741 18.7509      1.0798   17.0771      1.13324  4.32629  0.124795  4.1279   0.137266  
1 1 1 33 13 21 o 2.4723   0.131058  6.12669      0.648028 6.50228      0.897737 5.71806      0.936385 2.54452  0.176406  2.38494  0.196312  
1 1 1 33 13 22 o 7.21145  0.0810065 52.0576      1.16835  51.7856      1.63507  52.3414      1.67008  7.18897  0.113721  7.22721  0.115541  
1 1 1 33 13 23 o 2.54757  0.139193  6.51283      0.709207 7.21133      0.968077 5.70369      1.04193  2.67747  0.180782  2.37791  0.219085  
1 1 1 33 13 24 o 1.55277  0.217702  2.43445      0.676084 3.45252      0.928804 1.2871       0.986013 1.84626  0.251536  1.13908  0.374354  
1 1 1 33 13 25 o 1.19777  0.29046   1.52044      0.689625 1.38987      0.948044 1.66718      1.005    1.16406  0.365887  1.26032  0.372912  
1 1 1 33 13 26 o 4.72805  0.0988905 22.4151      0.935118 22.2279      1.2564   22.6477      1.40017  4.70311  0.133571  4.74477  0.147548  
1 1 1 33 13 27 o 1.82216  0.204198  3.36347      0.74416  2.78849      1.01061  4.04447      1.09984  1.61706  0.323915  1.98733  0.276714  
1 1 1 33 13 28 o 3.4489   0.127747  11.965       0.881173 11.9995      1.25783  11.9317      1.23483  3.44325  0.182651  3.43415  0.179787  
1 1 1 33 13 29 o 1.97745  0.208325  3.97573      0.823901 4.63806      1.17717  3.33973      1.15353  2.1223   0.277333  1.76244  0.339365  
1 1 1 33 13 30 o 2.00037  0.213945  4.08312      0.855937 4.91834      1.21372  3.25676      1.20726  2.18029  0.278339  1.72621  0.361343  
1 1 1 33 13 31 o 2.21901  0.199123  5.02697      0.883711 4.59434      1.24099  5.47203      1.25871  2.0954   0.296123  2.29402  0.274345  
1 1 1 33 13 32 o 1.5383   0.286849  2.55183      0.849665 2.38234      1.17618  2.73681      1.22875  1.45122  0.394815  1.55423  0.394469  
1 1 1 33 13 33 o 1.69828  0.256176  3.01477      0.870116 2.02643      1.22989  4.00517      1.23117  1.33454  0.416198  1.93487  0.318153  
1 1 1 33 13 34 f 3.01578  0.15757   9.26719      0.95039  8.99445      1.31565  9.56481      1.37438  2.94344  0.223488  3.03382  0.22651   
1 1 1 33 13 35 o 1.97495  0.224969  4.07431      0.888607 4.20513      1.24618  3.93899      1.26745  1.96541  0.317027  1.86269  0.353029  
1 1 1 33 13 36 o 0.964664 0.361966  0.93179      0.944718 1.32335      1.30726  0.503756     1.36679  1.11065  0.423346  0.956699 0.407155  
1 1 1 33 13 37 o 1.23479  0.350926  1.83007      0.907612 1.86897      1.27882  1.79059      1.28835  1.22509  0.425701  1.20488  0.426437  
1 1 1 33 13 38 o 0.654989 0.302468  -0.424495    0.930286 0.145706     1.29575  -1.03106     1.33643  0.846443 0.377008  0.712958 0.340075  
1 1 1 33 13 39 o 0.710848 0.318557  -0.0200311   0.937808 -0.2735      1.26471  0.289583     1.39778  0.764497 0.352897  0.86886  0.389151  
1 1 1 33 13 40 o 0.661893 0.311349  -0.459989    1.07082  -0.90977     1.5818   -0.0794893   1.45489  0.73686  0.355868  0.791535 0.370378  
1 1 1 33 13 41 o 0.819335 0.357597  0.747166     1.10467  0.382465     1.56043  1.11356      1.56405  0.818427 0.3831    0.904474 0.408084  
1 1 1 33 13 42 o 0.609966 0.297486  -0.80914     1.18241  -0.122021    1.74667  -1.39038     1.60648  0.748967 0.36461   0.648737 0.32221   
1 1 1 33 14 0  o 11.1624  0.115529  124.658      2.57856  124.658      2.57856  124.658      2.57856  11.1637  0.0816722 ?        ?         
1 1 1 33 14 1  o 10.7507  0.0813313 115.595      1.74874  116.221      2.54299  115.034      2.40866  10.7789  0.117961  10.7239  0.112304  
1 1 1 33 14 2  o 10.2903  0.0805573 105.906      1.65792  103.794      2.3635   107.951      2.32625  10.1864  0.116012  10.3885  0.111963  
1 1 1 33 14 3  o 16.4396  0.119265  270.348      3.92132  271.291      5.63487  269.463      5.46043  16.4653  0.171113  16.4101  0.166374  
1 1 1 33 14 4  o 7.57783  0.0672713 57.4296      1.01954  57.5579      1.44852  57.3036      1.43527  7.58588  0.095475  7.5691   0.0948109 
1 1 1 33 14 5  o 3.15662  0.0786435 9.96577      0.496496 8.12925      0.674839 12.1329      0.733073 2.8507   0.118364  3.48276  0.105243  
1 1 1 33 14 6  o 14.6172  0.115358  213.734      3.37242  210.983      4.84193  216.326      4.69989  14.5201  0.166732  14.7033  0.159825  
1 1 1 33 14 7  o 9.33332  0.0870673 87.1284      1.62525  89.005       2.35075  85.4099      2.24951  9.43229  0.124612  9.23992  0.121728  
1 1 1 33 14 8  o 6.38451  0.076953  40.7687      0.982614 40.5974      1.38241  40.9436      1.39696  6.37056  0.1085    6.39765  0.109177  
1 1 1 33 14 9  o 27.9038  0.197312  779.522      11.0115  785.454      15.5267  773.519      15.619   27.9939  0.277322  27.7795  0.281124  
1 1 1 33 14 10 o 14.1685  0.106817  200.82       3.02687  204.826      4.4148   197.266      4.15802  14.3063  0.154295  14.0402  0.148075  
1 1 1 33 14 11 o 1.98285  0.150487  3.93487      0.596786 3.80621      0.880856 4.04404      0.811384 1.94916  0.225958  2.00951  0.201886  
1 1 1 33 14 12 o 13.5642  0.106159  184.073      2.87992  186.528      4.17303  181.841      3.97951  13.6509  0.152848  13.4787  0.147622  
1 1 1 33 14 13 o 10.9935  0.093909  120.908      2.06478  123.663      2.89965  118.073      2.94087  11.1159  0.130428  10.8614  0.135381  
1 1 1 33 14 14 o 8.19233  0.0779151 67.1359      1.27661  67.7002      1.82977  66.6007      1.78198  8.22534  0.111228  8.15836  0.109212  
1 1 1 33 14 15 o 11.8422  0.0934259 140.309      2.21273  139.622      3.00569  141.123      3.26947  11.8105  0.127247  11.8728  0.137687  
1 1 1 33 14 16 o 8.86345  0.0833446 78.5975      1.47744  78.4642      2.07533  78.7343      2.1038   8.85387  0.117199  8.869    0.118604  
1 1 1 33 14 17 o 3.11814  0.10566   9.73126      0.658928 10.3558      0.934956 9.11487      0.928805 3.21537  0.145389  3.01627  0.153966  
1 1 1 33 14 18 o 1.54316  0.214966  2.39189      0.663455 2.04387      0.955781 2.71552      0.921681 1.39427  0.344342  1.61603  0.296214  
1 1 1 33 14 19 o 2.52611  0.13595   6.39419      0.686853 6.85465      0.932069 5.847        1.01607  2.61359  0.178312  2.4122   0.210611  
1 1 1 33 14 20 o 2.95586  0.1162    8.75192      0.686944 9.29515      0.9412   8.13267      1.0049   3.04422  0.154588  2.84621  0.176533  
1 1 1 33 14 21 o 6.16445  0.0796246 38.0351      0.981684 36.6803      1.35232  39.5445      1.42734  6.05095  0.111744  6.28257  0.113595  
1 1 1 33 14 22 o 3.56199  0.103219  12.71        0.735326 12.2294      1.01368  13.2438      1.06828  3.49095  0.145187  3.63268  0.147038  
1 1 1 33 14 23 o 2.69351  0.128679  7.27795      0.693197 7.87102      0.936942 6.56073      1.03036  2.79805  0.167428  2.55147  0.201915  
1 1 1 33 14 24 o 2.54246  0.1336    6.48854      0.679347 7.47012      0.941008 5.42007      0.981771 2.72463  0.172685  2.31721  0.211844  
1 1 1 33 14 25 o 2.87805  0.131238  8.31851      0.755417 8.69109      1.03903  7.90075      1.10024  2.93673  0.176903  2.79749  0.196647  
1 1 1 33 14 26 o 4.20607  0.101077  17.7433      0.850273 17.868       1.17313  17.6052      1.23413  4.21537  0.139149  4.18282  0.147524  
1 1 1 33 14 27 o 2.73065  0.14408   7.507        0.786865 7.61938      1.06658  7.3728       1.16559  2.7432   0.194405  2.69449  0.216291  
1 1 1 33 14 28 o 1.75903  0.2322    3.15398      0.816892 3.49202      1.15881  2.82005      1.15174  1.80698  0.333151  1.61107  0.365723  
1 1 1 33 14 29 o 1.65312  0.242971  2.79692      0.803321 3.07109      1.12672  2.51347      1.14565  1.68484  0.346252  1.51379  0.378921  
1 1 1 33 14 30 o 3.2212   0.140751  10.4782      0.906775 9.3816       1.28763  11.5571      1.27718  3.02942  0.212521  3.36989  0.189499  
1 1 1 33 14 31 o 0.54685  0.262413  -1.11041     0.826561 -1.25367     1.18335  -0.973921    1.15503  0.683034 0.323325  0.704228 0.329636  
1 1 1 33 14 32 o 2.5497   0.17582   6.62515      0.896578 5.71744      1.22407  7.6758       1.31693  2.34175  0.261357  2.72128  0.241968  
1 1 1 33 14 33 o 3.17537  0.152414  10.2546      0.967943 8.25961      1.4087   12.0389      1.33225  2.81024  0.250637  3.42272  0.194619  
1 1 1 33 14 34 o 1.00595  0.353815  1.03354      0.88566  -0.216448    1.20842  2.48419      1.30181  0.818818 0.36441   1.45493  0.422497  
1 1 1 33 14 35 o 2.81136  0.168591  8.10941      0.947938 6.75309      1.29972  9.65085      1.38557  2.52311  0.257563  3.03497  0.228269  
1 1 1 33 14 36 o 0.725092 0.32181   -0.101391    0.935149 0.32982      1.31937  -0.536715    1.32565  0.912726 0.394495  0.788301 0.362885  
1 1 1 33 14 37 o 0.769617 0.325948  0.272366     0.868731 0.0362924    1.19669  0.535386     1.26314  0.821367 0.364352  0.922075 0.391886  
1 1 1 33 14 38 o 0.71978  0.319432  0.0173369    0.921181 2.73453      1.29744  -2.74476     1.30812  1.4085   0.425139  0.568346 0.283444  
1 1 1 33 14 39 o 0.861908 0.349994  0.743031     0.945671 1.34061      1.27324  0.00777013   1.41231  1.0262   0.410437  0.826077 0.37787   
1 1 1 33 14 40 o 0.599544 0.288844  -0.871588    1.02645  -1.41963     1.43063  -0.290151    1.47357  0.66059  0.323224  0.767074 0.362111  
1 1 1 33 14 41 o 0.653191 0.312319  -0.393291    1.14465  -1.57059     1.73087  0.521784     1.52598  0.674357 0.334869  0.807613 0.378182  
1 1 1 33 14 42 o 0.726969 0.338681  0.321077     1.19986  -1.23349     1.73406  1.74901      1.66194  0.673777 0.334663  0.915544 0.416049  
1 1 1 33 15 0  o 16.9085  0.179473  286.104      6.06771  286.104      6.06771  286.104      6.06771  16.9116  0.126868  ?        ?         
1 1 1 33 15 1  o 13.0618  0.0977264 170.649      2.55296  167.753      3.60402  173.565      3.61687  12.9489  0.139163  13.1714  0.1373    
1 1 1 33 15 2  o 11.0115  0.0875593 121.276      1.92832  120.025      2.73478  122.513      2.71941  10.9535  0.124836  11.0665  0.122866  
1 1 1 33 15 3  o 14.8704  0.113111  221.2        3.36401  222.129      4.89832  220.37       4.62803  14.899   0.164384  14.8404  0.155927  
1 1 1 33 15 4  o 7.10018  0.0721058 50.4192      1.02393  49.4436      1.5398   51.1925      1.37097  7.03054  0.109508  7.15406  0.0958174 
1 1 1 33 15 5  o 17.4102  0.138197  303.265      4.81207  301.906      6.79425  304.633      6.81638  17.3667  0.195611  17.445   0.195368  
1 1 1 33 15 6  f 3.07394  0.105876  9.45199      0.650915 9.54764      0.949818 9.36729      0.8938   3.08893  0.153746  3.05971  0.146059  
1 1 1 33 15 7  o 8.86119  0.0848386 78.5367      1.50354  78.7731      2.09972  78.2879      2.15397  8.87365  0.118312  8.84618  0.121746  
1 1 1 33 15 8  o 10.211   0.0882047 104.289      1.80132  108.733      2.65266  100.486      2.45383  10.425   0.127227  10.022   0.122422  
1 1 1 33 15 9  f 9.71601  0.0843322 94.4223      1.63875  97.6105      2.40191  91.6458      2.24147  9.87747  0.121585  9.57109  0.117096  
1 1 1 33 15 10 o 13.0947  0.106404  171.539      2.78664  177.508      4.2005   166.847      3.72417  13.3173  0.157708  12.9122  0.144212  
1 1 1 33 15 11 o 10.217   0.0883601 104.42       1.80555  104.818      2.65015  104.076      2.46659  10.2346  0.129471  10.1987  0.120926  
1 1 1 33 15 12 o 11.1314  0.0904603 123.955      2.01391  124.038      2.8814   123.877      2.81592  11.1329  0.129409  11.1259  0.126548  
1 1 1 33 15 13 o 7.68814  0.078584  59.1261      1.20833  60.8995      1.69878  57.31        1.71907  7.80146  0.108876  7.56785  0.113577  
1 1 1 33 15 14 o 2.86214  0.10695   8.19718      0.612212 8.49004      0.84646  7.87594      0.886524 2.91202  0.145339  2.80441  0.158059  
1 1 1 33 15 15 o 4.9119   0.0786064 24.1363      0.772214 23.4159      1.06276  24.9421      1.12396  4.83711  0.109855  4.99216  0.112572  
1 1 1 33 15 16 o 2.70318  0.121242  7.31504      0.655478 7.03631      0.928888 7.5915       0.925096 2.6496   0.175289  2.7524   0.168053  
1 1 1 33 15 17 o 0.511717 0.239567  -0.60944     0.611056 0.21415      0.88004  -1.37617     0.849117 0.816447 0.335583  0.536371 0.259332  
1 1 1 33 15 18 o 3.95862  0.0912729 15.6843      0.722628 15.1018      1.00607  16.3051      1.0386   3.88271  0.129558  4.03449  0.128716  
1 1 1 33 15 19 o 2.32623  0.143283  5.42421      0.666617 5.51643      0.922228 5.32331      0.964682 2.34344  0.196768  2.30136  0.20959   
1 1 1 33 15 20 o 5.33684  0.0831587 28.5087      0.88761  28.427       1.2246   28.5991      1.28836  5.32692  0.114945  5.34253  0.120576  
1 1 1 33 15 21 o 2.74312  0.126235  7.54286      0.692557 8.15208      0.965454 6.89706      0.994016 2.84892  0.169442  2.61901  0.18977   
1 1 1 33 15 22 o 4.52852  0.0891997 20.5363      0.807885 19.4994      1.06527  21.9401      1.23946  4.4101   0.120776  4.67674  0.132513  
1 1 1 33 15 23 o 2.9913   0.117816  8.9728       0.704845 8.70154      0.965371 9.28251      1.03152  2.94193  0.164071  3.03798  0.16977   
1 1 1 33 15 24 o 3.29644  0.109705  10.8959      0.723275 10.7713      1.00424  11.0301      1.04257  3.27338  0.153395  3.31202  0.157392  
1 1 1 33 15 25 o 2.33118  0.156329  5.46972      0.72886  5.81467      0.994627 5.06964      1.07115  2.39778  0.207406  2.2347   0.239663  
1 1 1 33 15 26 o 2.11514  0.170769  4.51314      0.722401 5.11357      0.988205 3.824        1.05869  2.24503  0.220087  1.93384  0.273728  
1 1 1 33 15 27 o 1.75992  0.220329  3.14953      0.775523 3.06829      1.07383  3.23811      1.12122  1.6939   0.328699  1.73959  0.334188  
1 1 1 33 15 28 o 3.35398  0.133627  11.3224      0.896361 11.0595      1.1888   11.6687      1.36459  3.30599  0.179795  3.3908   0.20122   
1 1 1 33 15 29 o 0.973062 0.328636  0.935188     0.759882 1.93169      1.05397  -0.143467    1.09656  1.33198  0.378042  0.811939 0.355308  
1 1 1 33 15 30 o 1.92151  0.230256  3.79094      0.884877 3.37406      1.20697  4.27541      1.30115  1.75444  0.356376  2.01552  0.322781  
1 1 1 33 15 31 o 3.7886   0.12662   14.4865      0.959428 14.4641      1.35721  14.5088      1.35646  3.76791  0.180102  3.77387  0.179717  
1 1 1 33 15 32 o 1.84401  0.236634  3.52282      0.872712 3.36016      1.18059  3.7188       1.29585  1.73913  0.351718  1.82384  0.368148  
1 1 1 33 15 33 o 3.08189  0.156784  9.67313      0.966383 10.1239      1.37255  9.22998      1.36087  3.12592  0.219543  2.9805   0.228296  
1 1 1 33 15 34 f 2.3646   0.193721  5.76591      0.916147 5.57166      1.31536  5.94893      1.27675  2.28309  0.288067  2.36866  0.26951   
1 1 1 33 15 35 o 1.7299   0.269728  3.20995      0.933207 2.47319      1.2999   3.99349      1.34054  1.42564  0.424584  1.85001  0.375384  
1 1 1 33 15 36 o 3.73696  0.142798  14.3142      1.06726  13.6907      1.49871  14.9555      1.52018  3.60613  0.2078    3.77481  0.201358  
1 1 1 33 15 37 o 1.94657  0.233833  4.0906       0.910346 4.53063      1.25069  3.59478      1.3276   1.9908   0.314116  1.68529  0.399461  
1 1 1 33 15 38 o 0.774027 0.334828  0.277386     0.951967 0.127336     1.31621  0.441977     1.37852  0.836238 0.375986  0.89574  0.394992  
1 1 1 33 15 39 o 1.26966  0.369828  2.20222      0.995981 2.2537       1.3288   2.13622      1.50459  1.21549  0.432788  1.16797  0.451855  
1 1 1 33 15 40 o 0.937168 0.371024  1.20114      1.03024  -0.0613246   1.41312  2.63348      1.50519  0.777172 0.363927  1.21503  0.456698  
1 1 1 33 15 41 o 0.965303 0.387493  1.65298      1.14078  -0.898541    1.75076  3.53554      1.50384  0.708116 0.348765  1.29023  0.46031   
1 1 1 33 15 42 o 0.69607  0.329013  0.145516     1.22133  -0.696669    1.71145  1.01947      1.74343  0.688173 0.339829  0.81476  0.388584  
1 1 1 33 16 0  o 10.0848  0.122915  101.768      2.47833  101.768      2.47833  101.768      2.47833  10.0864  0.086886  ?        ?         
1 1 1 33 16 1  o 31.6861  0.228651  1005.35      14.4901  1002.52      20.1981  1008.36      20.7993  31.621   0.319378  31.7107  0.327955  
1 1 1 33 16 2  o 9.6064   0.0804515 92.2985      1.5457   91.8992      2.20624  92.6834      2.1662   9.58475  0.115091  9.62563  0.112523  
1 1 1 33 16 3  o 13.529   0.105333  183.087      2.85009  180.547      4.08873  185.487      3.97496  13.4326  0.152194  13.6155  0.145972  
1 1 1 33 16 4  o 12.2874  0.0947665 151.016      2.32886  149.001      3.34285  152.917      3.24629  12.2035  0.136963  12.363   0.13129   
1 1 1 33 16 5  o 3.9904   0.0951537 15.9273      0.759403 14.8406      1.03405  17.1997      1.11887  3.85137  0.134245  4.1462   0.134928  
1 1 1 33 16 6  o 12.8183  0.107425  164.363      2.754    163.552      3.87344  165.192      3.91642  12.7844  0.15149   12.8484  0.152409  
1 1 1 33 16 7  o 9.4629   0.087795  89.5676      1.66159  90.2562      2.374    88.9062      2.32641  9.49806  0.124973  9.42682  0.123393  
1 1 1 33 16 8  o 4.62057  0.0807797 21.3541      0.746496 20.7663      1.08035  21.8912      1.03267  4.55597  0.118564  4.67788  0.110378  
1 1 1 33 16 9  o 5.94628  0.0827072 35.3668      0.9836   38.264       1.53242  33.3369      1.2827   6.1841   0.1239    5.77254  0.111104  
1 1 1 33 16 10 o 11.3166  0.0993288 128.116      2.24813  131.845      3.35342  125.072      3.02982  11.4774  0.146088  11.1794  0.135509  
1 1 1 33 16 11 o 7.75731  0.0801477 60.1934      1.24346  62.5963      1.84356  58.1878      1.68426  7.90933  0.116543  7.62597  0.110429  
1 1 1 33 16 12 o 6.16666  0.0790633 38.0396      0.975113 37.8345      1.35021  38.2631      1.40975  6.14912  0.109789  6.18371  0.113989  
1 1 1 33 16 13 f 3.6222   0.0873158 13.1259      0.632551 12.9711      0.86588  13.303       0.926298 3.60011  0.120258  3.64571  0.12704   
1 1 1 33 16 14 o 5.62977  0.07294   31.7047      0.821271 31.8173      1.13063  31.5789      1.19494  5.63893  0.100252  5.61755  0.106358  
1 1 1 33 16 15 o 6.31203  0.0752528 39.8574      0.949996 41.3003      1.34936  38.4392      1.33771  6.42404  0.105024  6.1974   0.107925  
1 1 1 33 16 16 o 10.1629  0.0890148 103.351      1.80931  102.11       2.56636  104.577      2.5512   10.0984  0.127068  10.2198  0.124816  
1 1 1 33 16 17 o 3.28803  0.107009  10.8233      0.703695 11.3788      1.0203   10.3193      0.97182  3.36949  0.151403  3.20877  0.151432  
1 1 1 33 16 18 o 1.79832  0.171261  3.24441      0.615963 2.38128      0.84517  4.22225      0.899579 1.51157  0.289908  2.04938  0.219476  
1 1 1 33 16 19 o 3.62061  0.100817  13.1255      0.730041 12.4292      1.02674  13.8375      1.03822  3.52081  0.14581   3.71533  0.139722  
1 1 1 33 16 20 o 6.43325  0.0799989 41.4246      1.02931  40.7736      1.43833  42.1081      1.47363  6.37959  0.112729  6.48305  0.113653  
1 1 1 33 16 21 o 3.22647  0.111148  10.431       0.717229 11.3489      1.01151  9.50288      1.01714  3.36258  0.150407  3.07579  0.165346  
1 1 1 33 16 22 o 4.12614  0.0939923 17.0533      0.775652 16.1506      1.0178   18.3038      1.19796  4.01272  0.126822  4.27041  0.140262  
1 1 1 33 16 23 o 3.08373  0.115161  9.5357       0.710251 9.6741       0.964539 9.37177      1.04976  3.10257  0.155442  3.05201  0.171978  
1 1 1 33 16 24 o 2.88887  0.123787  8.37613      0.715211 9.06057      0.991966 7.63512      1.03215  3.0003   0.165311  2.75164  0.187552  
1 1 1 33 16 25 o 4.49444  0.0971507 20.2536      0.873275 20.055       1.17252  20.5009      1.30867  4.46756  0.131225  4.51458  0.144938  
1 1 1 33 16 26 o 2.03929  0.180573  4.20145      0.736481 4.4426       1.00032  3.916        1.08832  2.08879  0.239449  1.95495  0.27835   
1 1 1 33 16 27 o 5.92864  0.0950595 35.2633      1.12715  35.2241      1.54739  35.3075      1.64515  5.91667  0.130765  5.92132  0.138918  
1 1 1 33 16 28 o 4.00068  0.115734  16.0882      0.926033 15.3748      1.27128  16.8946      1.35162  3.90109  0.162939  4.08877  0.165285  
1 1 1 33 16 29 o 1.33369  0.288874  1.91101      0.748801 1.0645       1.02096  2.89647      1.10156  1.06123  0.379208  1.63036  0.348061  
1 1 1 33 16 30 o 2.42307  0.185161  5.97618      0.897316 7.98404      1.22992  3.69124      1.31205  2.79042  0.220383  1.82862  0.371676  
1 1 1 33 16 31 o 3.30721  0.140715  11.0661      0.930748 10.6713      1.34434  11.4295      1.2899   3.22536  0.208402  3.34403  0.192865  
1 1 1 33 16 32 o 0.783472 0.330433  0.174704     0.8867   0.874262     1.18386  -0.719201    1.33825  1.02793  0.400164  0.797693 0.366113  
1 1 1 33 16 33 o 2.35744  0.197681  5.72224      0.93204  4.85116      1.28662  6.68413      1.35202  2.12998  0.302025  2.51735  0.268541  
1 1 1 33 16 34 o 1.43942  0.308341  2.31605      0.861967 2.40794      1.21271  2.22222      1.2254   1.42693  0.405676  1.3716   0.413001  
1 1 1 33 16 35 o 3.53709  0.145115  12.7937      1.02657  13.9283      1.45335  11.6638      1.45024  3.65544  0.198793  3.33169  0.217643  
1 1 1 33 16 36 o 2.78618  0.174742  8.06029      0.973722 7.7251       1.38689  8.38613      1.36742  2.66832  0.259882  2.79246  0.244841  
1 1 1 33 16 37 o 3.27199  0.158219  11.1202      1.03538  11.1894      1.42749  11.0434      1.50401  3.22511  0.221309  3.18881  0.235826  
1 1 1 33 16 38 o 1.44481  0.332687  2.59078      0.942095 1.32155      1.29886  3.99979      1.36852  1.04043  0.415115  1.73204  0.402391  
1 1 1 33 16 39 o 0.655427 0.306914  -0.407339    1.00493  0.185344     1.41244  -1.01494     1.43011  0.826114 0.377887  0.703733 0.339505  
1 1 1 33 16 40 o 0.955055 0.375004  1.30461      1.04444  -0.00243606  1.47303  2.62606      1.48112  0.787508 0.369267  1.20577  0.453068  
1 1 1 33 16 41 o 0.998973 0.385049  1.82408      1.09047  1.88383      1.61722  1.77426      1.47666  0.941015 0.4201    0.937249 0.411213  
1 1 1 33 16 42 o 0.937611 0.396183  2.10829      1.27861  0.186097     1.82501  3.96139      1.79191  0.71517  0.352622  1.07852  0.462814  
1 1 1 33 17 0  o 22.1684  0.221119  491.914      9.80154  491.914      9.80154  491.914      9.80154  22.1737  0.1563    ?        ?         
1 1 1 33 17 1  o 11.2238  0.0882456 126.001      1.98091  124.696      2.81826  127.276      2.78489  11.1643  0.126218  11.2793  0.123451  
1 1 1 33 17 2  o 10.4604  0.0836428 109.44       1.74987  110.172      2.52087  108.76       2.43095  10.4942  0.120108  10.4268  0.116572  
1 1 1 33 17 3  o 2.16737  0.108078  4.69904      0.468489 5.22927      0.647044 4.11476      0.679215 2.28611  0.141516  2.02768  0.167486  
1 1 1 33 17 4  o 19.6787  0.150579  387.506      5.92638  387.457      8.17234  387.56       8.60686  19.6715  0.20772   19.6728  0.21875   
1 1 1 33 17 5  o 7.74413  0.0804394 59.9832      1.24587  58.063       1.78086  61.8239      1.74358  7.61834  0.11688   7.86136  0.110895  
1 1 1 33 17 6  f 14.8597  0.11743   220.905      3.48994  219.143      5.1835   222.365      4.72004  14.7964  0.175161  14.9061  0.158326  
1 1 1 33 17 7  o 14.3818  0.114585  206.925      3.29588  206.472      4.79326  207.332      4.53925  14.3625  0.166868  14.3931  0.157688  
1 1 1 33 17 8  o 16.5333  0.127526  273.512      4.21687  273.901      6.05568  273.145      5.8755   16.5398  0.183063  16.5176  0.177856  
1 1 1 33 17 9  o 9.87315  0.0914714 97.512       1.80622  96.0936      2.61883  98.7989      2.49447  9.79916  0.133625  9.93657  0.12552   
1 1 1 33 17 10 o 4.38543  0.0925561 19.2394      0.811797 19.958       1.18484  18.6037      1.1145   4.46565  0.132662  4.31156  0.129245  
1 1 1 33 17 11 o 12.2696  0.0987455 150.616      2.42314  151.176      3.58573  150.145      3.28736  12.2889  0.145893  12.2479  0.134201  
1 1 1 33 17 12 o 4.34193  0.0806671 18.8591      0.700502 18.7453      1.00687  18.9658      0.975212 4.328    0.11632   4.35349  0.112003  
1 1 1 33 17 13 o 12.1226  0.0926446 147.032      2.24618  146.572      3.23317  147.462      3.12286  12.1002  0.1336    12.1373  0.128647  
1 1 1 33 17 14 o 3.13526  0.0989303 9.83632      0.620346 9.38494      0.845003 10.364       0.91361  3.06151  0.138004  3.21712  0.141992  
1 1 1 33 17 15 o 7.23896  0.0738381 52.4244      1.06902  52.1711      1.49461  52.6897      1.52965  7.21998  0.103505  7.25566  0.105411  
1 1 1 33 17 16 o 9.13878  0.0828079 83.5691      1.51353  82.2456      2.16605  84.8319      2.11574  9.06307  0.119498  9.20491  0.114924  
1 1 1 33 17 17 o 9.30734  0.0865816 86.6955      1.61169  86.6715      2.29072  86.7191      2.268    9.30231  0.123126  9.30501  0.12187   
1 1 1 33 17 18 o 2.81035  0.113122  7.90991      0.635826 6.88636      0.88549  8.99936      0.913554 2.61979  0.169     2.9958   0.152473  
1 1 1 33 17 19 o 5.14107  0.0836518 26.4558      0.86012  26.0699      1.1958   26.8695      1.23809  5.10109  0.11721   5.17854  0.11954   
1 1 1 33 17 20 o 10.5855  0.0923548 112.198      1.95525  109.867      2.73917  114.619      2.79186  10.4681  0.130835  10.6921  0.130557  
1 1 1 33 17 21 o 4.53417  0.0894717 20.5875      0.811361 20.9353      1.11922  20.2023      1.1779   4.56948  0.122467  4.4879   0.131231  
1 1 1 33 17 22 o 1.3446   0.251947  1.88856      0.652498 2.38597      0.899889 1.33714      0.947494 1.50374  0.309812  1.14951  0.366343  
1 1 1 33 17 23 o 3.96084  0.0972769 15.7208      0.770595 15.7505      1.0608   15.6876      1.12129  3.96096  0.133907  3.95209  0.141861  
1 1 1 33 17 24 o 4.14614  0.0994967 17.2342      0.825054 16.8055      1.10391  17.7767      1.24183  4.08993  0.134954  4.20452  0.147678  
1 1 1 33 17 25 f 5.20401  0.0886767 27.1444      0.922949 25.8236      1.25034  28.7256      1.36808  5.07044  0.123297  5.34685  0.127934  
1 1 1 33 17 26 o 3.06977  0.129144  9.47586      0.792885 9.89502      1.09955  9.0218       1.14442  3.1294   0.17568   2.9852   0.191682  
1 1 1 33 17 27 f 3.99787  0.114436  16.0579      0.915003 18.1323      1.30973  14.0801      1.27885  4.23996  0.15445   3.73261  0.171307  
1 1 1 33 17 28 o 1.20525  0.308774  1.56426      0.747635 1.11046      1.02078  2.08941      1.09808  1.07705  0.379743  1.38291  0.383748  
1 1 1 33 17 29 o 1.92552  0.19728   3.7793       0.759734 4.54099      1.05324  2.95309      1.09695  2.09865  0.250932  1.64354  0.344737  
1 1 1 33 17 30 o 0.840417 0.336285  0.435844     0.85529  1.35011      1.1688   -0.618116    1.25491  1.1543   0.406408  0.788427 0.359149  
1 1 1 33 17 31 o 2.38144  0.190288  5.79729      0.906319 5.78112      1.31044  5.81212      1.25482  2.3485   0.278995  2.35977  0.265878  
1 1 1 33 17 32 o 3.91246  0.130286  15.494       1.01948  15.4375      1.3774   15.5625      1.51607  3.88555  0.177247  3.89238  0.194749  
1 1 1 33 17 33 o 1.53137  0.302329  2.58006      0.892993 2.4779       1.25147  2.68604      1.27461  1.45656  0.411473  1.51575  0.410393  
1 1 1 33 17 34 o 0.963208 0.351646  0.914113     0.88208  0.471105     1.19818  1.4383       1.30334  0.929383 0.387603  1.16227  0.42714   
1 1 1 33 17 35 o 1.54786  0.308697  2.72395      0.921784 1.89364      1.2709   3.64559      1.33896  1.24855  0.425007  1.7348   0.394689  
1 1 1 33 17 36 f 2.7285   0.171489  7.73229      0.935816 9.63203      1.32126  5.81992      1.32564  3.00938  0.219523  2.2892   0.289542  
1 1 1 33 17 37 o 0.624676 0.293051  -0.638047    0.931667 0.476437     1.29374  -1.83862     1.34278  0.897476 0.389309  0.643025 0.314283  
1 1 1 33 17 38 o 0.696041 0.31293   -0.0580459   0.911593 -0.188408    1.28589  0.0736637    1.29251  0.780539 0.358508  0.817036 0.369676  
1 1 1 33 17 39 o 0.641502 0.301324  -0.452953    0.995965 0.721069     1.3975   -1.66472     1.41978  0.88588  0.393256  0.644541 0.31732   
1 1 1 33 17 40 o 0.711577 0.325156  0.115231     1.04271  -0.129884    1.51635  0.3351       1.43614  0.766093 0.364228  0.804253 0.37308   
1 1 1 33 17 41 o 1.31321  0.39205   2.97109      1.10741  3.58603      1.67844  2.49702      1.4737   1.1981   0.473811  1.05545  0.434116  
1 1 1 33 18 0  o 0.45209  0.306267  -0.333114    0.790209 -0.333114    0.790209 -0.333114    0.790209 0.361976 0.249011  ?        ?         
1 1 1 33 18 1  o 13.6875  0.101463  187.404      2.77754  188.814      3.85653  185.885      4.00367  13.7369  0.140371  13.6296  0.146874  
1 1 1 33 18 2  o 13.5638  0.0994895 184.03       2.6989   180.125      3.63381  188.834      4.0306   13.4174  0.135415  13.7372  0.146703  
1 1 1 33 18 3  o 2.34783  0.102561  5.51409      0.481593 5.04663      0.667056 6.02302      0.696017 2.24571  0.148518  2.45343  0.141846  
1 1 1 33 18 4  o 13.2989  0.104588  176.921      2.78182  179.086      3.96507  174.824      3.90382  13.3777  0.148197  13.2176  0.147675  
1 1 1 33 18 5  o 3.51038  0.101313  12.3269      0.711293 10.5511      1.03964  13.8896      0.975281 3.24689  0.160098  3.72584  0.130881  
1 1 1 33 18 6  o 10.0874  0.087834  101.784      1.77204  100.211      2.50828  103.35       2.50381  10.0078  0.125316  10.1634  0.123177  
1 1 1 33 18 7  o 15.6321  0.124521  244.505      3.89306  247.131      5.64159  242.118      5.37902  15.7108  0.179545  15.5513  0.172944  
1 1 1 33 18 8  o 10.1676  0.0934092 103.418      1.8995   105.693      2.99823  101.893      2.45505  10.2761  0.145884  10.0911  0.121645  
1 1 1 33 18 9  o 6.18775  0.0837867 38.3004      1.0369   38.8003      1.56935  37.9131      1.38137  6.22672  0.126018  6.15559  0.112205  
1 1 1 33 18 10 o 18.9959  0.145186  361.218      5.51587  358.941      7.87138  363.414      7.73173  18.9255  0.207956  19.0441  0.202996  
1 1 1 33 18 11 o 5.45173  0.0865742 29.7334      0.943958 30.0977      1.28325  29.3038      1.39347  5.48412  0.116997  5.41088  0.128765  
1 1 1 33 18 12 o 16.8626  0.117485  284.58       3.96222  286.834      5.64312  282.389      5.56455  16.9223  0.166737  16.7908  0.165702  
1 1 1 33 18 13 o 8.92679  0.0772316 79.7186      1.37886  79.9141      1.93055  79.5149      1.97005  8.93603  0.108021  8.91352  0.110509  
1 1 1 33 18 14 o 5.5836   0.0764735 31.19        0.853995 32.3233      1.25171  30.203       1.16809  5.6828   0.110131  5.49342  0.106317  
1 1 1 33 18 15 o 13.6012  0.105733  185.168      2.87618  186.569      4.12756  183.845      4.01005  13.6457  0.151241  13.5462  0.148014  
1 1 1 33 18 16 o 9.23695  0.083805  85.383       1.5482   84.161       2.18184  86.6222      2.19722  9.16731  0.119001  9.30049  0.118124  
1 1 1 33 18 17 o 2.26195  0.135016  5.12688      0.610801 5.86597      0.846674 4.3248       0.882016 2.41782  0.17509   2.07436  0.2126    
1 1 1 33 18 18 o 0.779547 0.288721  0.477528     0.597195 0.144803     0.836812 0.82287      0.852531 0.780471 0.324609  0.971918 0.346598  
1 1 1 33 18 19 o 4.639    0.0878398 21.5442      0.814978 21.3121      1.16961  21.7633      1.13622  4.61114  0.126824  4.6601   0.12191   
1 1 1 33 18 20 o 3.6403   0.101963  13.2742      0.742348 13.9512      0.995621 12.4266      1.114    3.72968  0.133473  3.51791  0.158333  
1 1 1 33 18 21 o 2.32004  0.141587  5.40273      0.656975 5.68286      0.88904  5.06571      0.97512  2.37612  0.187078  2.24083  0.217581  
1 1 1 33 18 22 o 4.56373  0.0898164 20.8624      0.819796 19.7972      1.10762  22.153       1.21912  4.44231  0.124667  4.69857  0.129733  
1 1 1 33 18 23 o 1.46538  0.2184    2.17136      0.640081 2.14134      0.889497 2.20359      0.921788 1.41913  0.320886  1.43892  0.327556  
1 1 1 33 18 24 o 5.80485  0.0870982 33.767       1.01118  33.6381      1.36913  33.9219      1.49986  5.78874  0.118258  5.81099  0.129054  
1 1 1 33 18 25 o 4.71612  0.0918004 22.2996      0.865883 22.2048      1.17942  22.4104      1.27528  4.70077  0.12545   4.72067  0.135074  
1 1 1 33 18 26 o 3.7327   0.113646  13.9972      0.848415 12.9222      1.15282  15.2674      1.25313  3.57814  0.161091  3.88931  0.1611    
1 1 1 33 18 27 o 0.6577   0.287676  -0.1233      0.718138 -0.296204    0.97783  0.0791618    1.05812  0.739707 0.328586  0.840621 0.358013  
1 1 1 33 18 28 o 1.02135  0.322074  1.08235      0.733802 1.77885      1.02094  0.338014     1.05543  1.28239  0.374721  0.891455 0.367143  
1 1 1 33 18 29 o 2.27391  0.170512  5.24663      0.775456 5.32054      1.08112  5.16831      1.11289  2.27445  0.237667  2.23877  0.24855   
1 1 1 33 18 30 o 3.53568  0.139507  12.6417      0.986502 12.3857      1.34906  12.9359      1.44625  3.48165  0.193739  3.55426  0.203453  
1 1 1 33 18 31 o 2.51346  0.171662  6.43665      0.862933 5.99183      1.24755  6.84472      1.1949   2.39599  0.260341  2.57185  0.232303  
1 1 1 33 18 32 o 1.6055   0.291561  2.81133      0.901682 2.8628       1.24393  2.75434      1.30888  1.57358  0.395417  1.53516  0.415975  
1 1 1 33 18 33 o 2.06102  0.217454  4.41091      0.896354 4.40955      1.267    4.41227      1.26827  2.02088  0.313477  2.02139  0.313713  
1 1 1 33 18 34 o 1.01209  0.36015   1.07479      0.920063 0.978022     1.25818  1.18602      1.34888  1.04222  0.41084   1.10213  0.427535  
1 1 1 33 18 35 o 2.0181   0.227157  4.32671      0.916852 5.10535      1.31545  3.5911       1.27859  2.14127  0.307166  1.72635  0.380551  
1 1 1 33 18 36 o 0.972577 0.351027  1.0468       0.876788 1.20224      1.18706  0.860192     1.30064  1.04545  0.401995  0.988279 0.407386  
1 1 1 33 18 37 o 0.681615 0.308561  -0.156997    0.901621 -1.22093     1.25216  0.988599     1.29932  0.663718 0.31958   0.980904 0.406011  
1 1 1 33 18 38 o 0.591536 0.279851  -0.668516    0.885364 -1.34191     1.23356  0.0469193    1.27149  0.636155 0.308679  0.799856 0.363593  
1 1 1 33 18 39 o 0.890346 0.360712  0.994823     1.00146  0.700428     1.43228  1.27642      1.4008   0.877786 0.393517  0.964313 0.411347  
1 1 1 33 18 40 o 0.735495 0.332828  0.389672     1.04805  -0.0351485   1.54665  0.750353     1.42512  0.756617 0.362075  0.827419 0.378941  
1 1 1 33 18 41 o 0.738533 0.335353  0.498724     1.07521  1.16408      1.5767   -0.0796705   1.47006  0.852522 0.393719  0.720884 0.346902  
1 1 1 33 19 0  o 2.38306  0.190008  5.78976      0.892357 5.78976      0.892357 5.78976      0.892357 2.3949   0.132668  ?        ?         
1 1 1 33 19 1  o 27.7276  0.191704  769.729      10.631   762.734      14.7464  777.3        15.3401  27.5859  0.267281  27.8461  0.275444  
1 1 1 33 19 2  o 8.08121  0.0782469 65.3191      1.26466  66.9255      1.75853  63.5983      1.82006  8.17925  0.107499  7.97315  0.114137  
1 1 1 33 19 3  o 6.82439  0.0740574 46.5808      1.01079  46.9224      1.41627  46.2262      1.44306  6.84876  0.103396  6.79769  0.106144  
1 1 1 33 19 4  o 15.1876  0.115515  230.771      3.5088   228.138      4.98665  233.354      4.9381   15.097   0.165154  15.2689  0.161705  
1 1 1 33 19 5  o 8.85576  0.083393  78.4446      1.47702  77.3105      2.08716  79.5824      2.09048  8.79033  0.118719  8.91861  0.117198  
1 1 1 33 19 6  o 3.18404  0.10947   10.143       0.697111 9.83759      1.06414  10.3725      0.922658 3.13468  0.169736  3.21931  0.1433    
1 1 1 33 19 7  o 12.5501  0.109475  157.587      2.74784  162.193      3.98908  153.428      3.79057  12.7286  0.156697  12.3803  0.153089  
1 1 1 33 19 8  o 6.95431  0.0815382 48.3773      1.13408  48.2124      1.60827  48.5403      1.59944  6.94134  0.115847  6.96494  0.114821  
1 1 1 33 19 9  o 13.7693  0.111802  189.711      3.07887  189.003      4.3465   190.425      4.36189  13.7393  0.158178  13.7909  0.158144  
1 1 1 33 19 10 o 1.26453  0.277796  1.66925      0.683477 2.05708      0.989499 1.31538      0.945188 1.40222  0.352854  1.15252  0.365755  
1 1 1 33 19 11 o 5.90203  0.0819937 34.8478      0.967859 37.1781      1.3637   32.4824      1.37388  6.09515  0.111867  5.6969   0.120581  
1 1 1 33 19 12 o 3.04248  0.0884672 9.26134      0.53832  10.4365      0.801165 8.29409      0.726847 3.22894  0.12406   2.87845  0.126257  
1 1 1 33 19 13 o 15.0479  0.114137  226.65       3.43503  233.721      5.07865  220.686      4.66358  15.2727  0.166266  14.8422  0.157105  
1 1 1 33 19 14 o 7.77029  0.078916  60.4082      1.2264   61.1275      1.76664  59.739       1.70385  7.8143   0.113039  7.72523  0.110278  
1 1 1 33 19 15 o 10.2959  0.0880901 106.085      1.81393  107.738      2.64076  104.608      2.49592  10.3716  0.127308  10.2204  0.122105  
1 1 1 33 19 16 o 5.68059  0.0765025 32.2896      0.869158 29.4627      1.22317  35.1727      1.23527  5.42422  0.11275   5.92717  0.104204  
1 1 1 33 19 17 o 3.62207  0.0949346 13.1337      0.687719 13.3691      0.958772 12.8841      0.987007 3.65257  0.131246  3.58533  0.137645  
1 1 1 33 19 18 o 3.9988   0.0956448 16.0107      0.764929 15.4313      1.07907  16.5958      1.0845   3.92314  0.137526  4.06879  0.133271  
1 1 1 33 19 19 o 5.48087  0.0785184 30.0682      0.860698 31.127       1.23075  29.0547      1.20411  5.57391  0.110402  5.38504  0.111802  
1 1 1 33 19 20 o 4.37709  0.0914992 19.1871      0.801    18.8029      1.07283  19.671       1.20407  4.33036  0.123873  4.42797  0.135961  
1 1 1 33 19 21 o 2.09151  0.154407  4.39514      0.645889 3.98922      0.896162 4.83392      0.931726 1.98733  0.225469  2.18882  0.212837  
1 1 1 33 19 22 o 3.24327  0.110824  10.5469      0.718866 10.5711      1.02049  10.5231      1.01281  3.24265  0.157355  3.23537  0.156522  
1 1 1 33 19 23 o 0.661695 0.282413  0.000936212  0.660914 0.030028     0.91542  -0.0307387   0.955196 0.781714 0.332963  0.785325 0.337482  
1 1 1 33 19 24 o 4.54779  0.0915646 20.7327      0.832833 21.4275      1.14802  19.9607      1.21004  4.61873  0.124279  4.45593  0.135778  
1 1 1 33 19 25 o 3.97749  0.0998787 15.8716      0.794532 15.3666      1.09699  16.4288      1.15233  3.90738  0.140374  4.03975  0.142624  
1 1 1 33 19 26 o 3.91748  0.110497  15.414       0.865744 16.349       1.1988   14.3949      1.2516   4.02727  0.148836  3.77532  0.16576   
1 1 1 33 19 27 o 2.43331  0.159753  5.98063      0.777455 6.95267      1.07997  4.93501      1.1201   2.61489  0.206504  2.19346  0.255327  
1 1 1 33 19 28 o 4.45135  0.104943  19.9142      0.934272 22.1102      1.2867   17.4654      1.35876  4.68198  0.13741   4.15384  0.163555  
1 1 1 33 19 29 o 0.763676 0.315498  0.231642     0.782246 0.502971     1.05786  -0.0957244   1.16198  0.921078 0.371732  0.837039 0.366026  
1 1 1 33 19 30 o 1.20146  0.33708   1.58875      0.84268  1.52356      1.11989  1.67384      1.27944  1.19379  0.39896   1.25022  0.426433  
1 1 1 33 19 31 o 1.97493  0.222835  4.03069      0.880166 3.64087      1.31282  4.34898      1.18626  1.79624  0.377411  2.02779  0.292501  
1 1 1 33 19 32 o 2.15184  0.221251  4.80213      0.952194 5.58177      1.28872  3.86478      1.41307  2.29496  0.280772  1.83118  0.397006  
1 1 1 33 19 33 o 1.23092  0.342522  1.72602      0.873626 1.77833      1.20755  1.66857      1.26547  1.24497  0.41428   1.2181   0.423455  
1 1 1 33 19 34 o 1.31081  0.341526  1.99701      0.904239 1.72653      1.26936  2.27566      1.28843  1.215    0.423939  1.36361  0.426133  
1 1 1 33 19 35 o 0.923355 0.35052   0.84013      0.893167 1.48631      1.22286  0.101214     1.30766  1.13225  0.41397   0.868814 0.383707  
1 1 1 33 19 36 o 1.84538  0.244043  3.71015      0.900705 3.45265      1.26536  3.97462      1.28239  1.65614  0.388344  1.79981  0.368957  
1 1 1 33 19 37 o 1.93833  0.239241  4.15643      0.927452 3.32083      1.27108  5.10784      1.35629  1.57408  0.40222   2.06328  0.328674  
1 1 1 33 19 38 o 1.9685   0.255884  4.46075      1.00741  6.0099       1.44633  3.00094      1.404    2.19172  0.329953  1.38589  0.44638   
1 1 1 33 19 39 o 0.549436 0.268735  -1.24265     0.986484 -1.76408     1.39929  -0.727413    1.39095  0.626443 0.308848  0.705805 0.339106  
1 1 1 33 19 40 o 0.890025 0.363775  1.26895      1.02833  3.38686      1.49348  -0.640306    1.418    1.2585   0.457747  0.676086 0.328962  
1 1 1 33 19 41 o 0.604193 0.290705  -0.413251    1.0314   0.302862     1.47339  -1.10137     1.4443   0.738512 0.353408  0.626591 0.310084  
1 1 1 33 20 0  o 13.9691  0.153316  195.29       4.28221  195.29       4.28221  195.29       4.28221  13.9718  0.108375  ?        ?         
1 1 1 33 20 1  o 5.46407  0.0749578 29.8622      0.819149 29.4957      1.15936  30.2276      1.15754  5.42985  0.106758  5.49684  0.105292  
1 1 1 33 20 2  o 21.6138  0.164376  467.627      7.10559  458.734      10.4299  475.33       9.70666  21.3942  0.243756  21.7818  0.222816  
1 1 1 33 20 3  o 2.12581  0.109703  4.52117      0.466417 5.26509      0.653933 3.75083      0.665444 2.29367  0.142551  1.9356   0.171896  
1 1 1 33 20 4  o 5.49379  0.0809368 30.1897      0.8893   30.9963      1.28069  29.4387      1.23582  5.56594  0.115048  5.42431  0.113915  
1 1 1 33 20 5  o 11.4701  0.105708  131.626      2.42496  131.178      3.58135  132.006      3.2953   11.4472  0.156429  11.4842  0.14347   
1 1 1 33 20 6  o 5.10787  0.0839821 26.0987      0.85794  25.0665      1.27118  26.9622      1.16268  5.0048   0.126996  5.19102  0.11199   
1 1 1 33 20 7  o 6.79909  0.0822137 46.2426      1.11796  45.7784      1.62194  46.6627      1.54307  6.76364  0.119901  6.82892  0.112981  
1 1 1 33 20 8  o 5.06623  0.0892119 25.6771      0.903937 27.8926      1.33715  23.8126      1.2267   5.27919  0.126644  4.87785  0.125742  
1 1 1 33 20 9  f 5.50903  0.0867309 30.3619      0.955606 28.9373      1.27756  32.1714      1.43981  5.37727  0.118792  5.66949  0.126979  
1 1 1 33 20 10 o 10.3407  0.0919386 106.984      1.90142  107.622      2.58236  106.228      2.81008  10.3693  0.124519  10.301   0.136398  
1 1 1 33 20 11 o 7.4694   0.0793009 55.8144      1.18466  54.1988      1.62395  57.6522      1.73199  7.35908  0.110336  7.5897   0.114102  
1 1 1 33 20 12 o 9.50297  0.0948131 90.3638      1.80201  89.2644      2.57138  91.4249      2.52608  9.44172  0.136171  9.55567  0.132177  
1 1 1 33 20 13 o 5.05775  0.075873  25.5926      0.767494 27.5561      1.14213  23.9759      1.03636  5.2469   0.108839  4.89431  0.105874  
1 1 1 33 20 14 o 8.8761   0.0805546 78.8328      1.43002  78.1152      1.98532  79.6065      2.06155  8.83309  0.112379  8.9167   0.1156    
1 1 1 33 20 15 o 9.44292  0.0812002 89.2312      1.53353  89.2886      2.22037  89.1788      2.12056  9.44236  0.117575  9.43715  0.112352  
1 1 1 33 20 16 o 3.97618  0.0878725 15.8241      0.698793 16.7953      1.03344  15.006       0.9485   4.09442  0.126201  3.87038  0.122533  
1 1 1 33 20 17 o 2.58733  0.118857  6.70682      0.615045 6.2843       0.878444 7.11312      0.861417 2.50175  0.175566  2.66243  0.161773  
1 1 1 33 20 18 o 3.13652  0.10759   9.85447      0.67492  8.47562      0.987281 11.0642      0.924747 2.9051   0.169922  3.32154  0.139205  
1 1 1 33 20 19 o 6.83931  0.078577  46.8239      1.07482  47.0537      1.49991  46.5813      1.54099  6.85273  0.109439  6.81779  0.113012  
1 1 1 33 20 20 o 0.949467 0.30047   0.905436     0.638211 0.995571     0.899043 0.813873     0.906133 1.03305  0.357132  0.980036 0.356543  
1 1 1 33 20 21 o 5.83962  0.081906  34.1485      0.956599 34.4303      1.35109  33.8653      1.35458  5.85972  0.115286  5.81127  0.116548  
1 1 1 33 20 22 o 4.43203  0.0947244 19.684       0.839643 20.3379      1.18169  19.0173      1.19326  4.50073  0.131278  4.35136  0.137114  
1 1 1 33 20 23 o 2.67129  0.131945  7.1699       0.704926 7.88759      0.970679 6.36901      1.0254   2.79705  0.173519  2.50947  0.204307  
1 1 1 33 20 24 o 1.34719  0.24852   1.90518      0.644467 1.69529      0.891912 2.13448      0.932253 1.25874  0.344415  1.40981  0.335108  
1 1 1 33 20 25 o 0.579656 0.263372  -0.375837    0.66542  -0.227248    0.928036 -0.53306     0.95462  0.732407 0.323383  0.691438 0.314505  
1 1 1 33 20 26 o 1.16638  0.30662   1.45756      0.724739 1.35167      0.982657 1.58386      1.07319  1.14656  0.373717  1.22778  0.389744  
1 1 1 33 20 27 o 2.45561  0.156341  6.08908      0.767828 4.84055      1.05744  7.48154      1.11673  2.17432  0.243167  2.71213  0.205877  
1 1 1 33 20 28 o 1.57478  0.233864  2.54773      0.736571 1.31149      0.97677  4.17747      1.1215   1.12333  0.372595  2.00529  0.279635  
1 1 1 33 20 29 o 3.36436  0.137315  11.44        0.923954 13.1112      1.29977  9.73277      1.31368  3.58755  0.18115   3.08008  0.213254  
1 1 1 33 20 30 o 3.36953  0.134618  11.4808      0.907197 11.7994      1.22909  11.0996      1.34463  3.40058  0.180717  3.28904  0.20441   
1 1 1 33 20 31 o 1.46316  0.319963  2.3759       0.910554 3.25742      1.30581  1.54159      1.27036  1.6839   0.394275  1.20117  0.423618  
1 1 1 33 20 32 o 2.16903  0.211199  4.86579      0.916193 4.46675      1.26521  5.30574      1.32849  2.0394   0.310192  2.22859  0.298057  
1 1 1 33 20 33 o 0.584323 0.277403  -0.933139    0.876738 -2.53063     1.17737  1.05533      1.31357  0.559133 0.277451  1.07523  0.420912  
1 1 1 33 20 34 o 1.71156  0.264273  3.16116      0.90464  0.743211     1.26934  5.65694      1.28961  0.980603 0.403039  2.2768   0.283206  
1 1 1 33 20 35 o 3.73935  0.133761  14.3064      1.00036  15.7545      1.43566  12.9399      1.39467  3.88397  0.184819  3.50832  0.198767  
1 1 1 33 20 36 o 0.86031  0.342262  0.683527     0.880641 1.43964      1.23231  -0.105616    1.25894  1.08723  0.412019  0.802744 0.363941  
1 1 1 33 20 37 o 0.659423 0.301002  -0.24573     0.890878 -0.669575    1.242    0.203443     1.27857  0.712334 0.335145  0.834846 0.373096  
1 1 1 33 20 38 o 1.4331   0.352982  2.77035      1.0064   3.42791      1.42396  2.11408      1.42257  1.46821  0.445833  1.14471  0.440088  
1 1 1 33 20 39 o 0.508846 0.25212   -1.60222     0.96207  -2.46034     1.34766  -0.710425    1.37386  0.566468 0.283234  0.698325 0.335878  
1 1 1 33 20 40 o 0.872691 0.360645  1.24802      1.02262  3.4187       1.49363  -0.667283    1.40302  1.23556  0.456808  0.661582 0.32291   
1 1 1 33 20 41 o 0.778422 0.343684  1.0682       1.04804  0.815953     1.54038  1.28562      1.43007  0.744353 0.357439  0.790806 0.368935  
1 1 1 33 21 0  o 0.891518 0.414197  1.16763      0.81319  1.16763      0.81319  1.16763      0.81319  0.939411 0.335979  ?        ?         
1 1 1 33 21 1  o 7.72453  0.0754902 59.6828      1.16625  58.3524      1.6265   61.0906      1.67315  7.63701  0.106488  7.81412  0.107059  
1 1 1 33 21 2  f 4.17252  0.0789242 17.4146      0.658626 17.3185      0.935369 17.5091      0.927554 4.1604   0.112413  4.18326  0.110865  
1 1 1 33 21 3  o 15.8471  0.126994  251.309      4.02496  256.93       5.98982  246.681      5.43486  16.0165  0.18699   15.6955  0.173134  
1 1 1 33 21 4  o 7.60683  0.0844665 57.8828      1.28505  55.0092      1.79791  60.8839      1.83739  7.4143   0.121246  7.80032  0.117776  
1 1 1 33 21 5  o 6.2191   0.0801008 38.689       0.99631  36.6295      1.39435  40.8374      1.42411  6.05032  0.115229  6.38852  0.111459  
1 1 1 33 21 6  o 4.48904  0.0886988 20.1594      0.796345 20.5457      1.16998  19.8259      1.08699  4.53085  0.129113  4.45098  0.122107  
1 1 1 33 21 7  o 5.25086  0.0840694 27.5818      0.882873 26.3718      1.22544  28.8877      1.27306  5.13342  0.119359  5.37275  0.118474  
1 1 1 33 21 8  o 4.5789   0.0895362 20.9758      0.819955 20.4958      1.14922  21.4735      1.17025  4.52519  0.12698   4.63189  0.126326  
1 1 1 33 21 9  o 5.21865  0.0818769 27.2453      0.854575 27.3778      1.2132   27.1147      1.20395  5.23027  0.115979  5.20509  0.115651  
1 1 1 33 21 10 o 3.88407  0.0883748 15.0936      0.686507 14.2949      0.94469  15.9873      0.99935  3.77894  0.124994  3.99637  0.125032  
1 1 1 33 21 11 o 5.93385  0.0802322 35.2266      0.952172 34.7887      1.33258  35.6834      1.36102  5.8955   0.113016  5.97078  0.113973  
1 1 1 33 21 12 o 9.62829  0.0907696 92.764       1.74791  89.9969      2.3742   96.0386      2.5828   9.48077  0.125211  9.79317  0.131868  
1 1 1 33 21 13 o 11.6575  0.0939422 136.007      2.19026  138.69       3.20689  133.661      2.99859  11.7667  0.136269  11.5523  0.129783  
1 1 1 33 21 14 o 5.18004  0.0773622 26.8496      0.801478 27.3665      1.10785  26.2819      1.16094  5.22825  0.105948  5.12317  0.113302  
1 1 1 33 21 15 o 4.04905  0.0814375 16.4071      0.659489 16.0897      0.938609 16.7165      0.926821 4.00809  0.117089  4.08562  0.113425  
1 1 1 33 21 16 o 3.72613  0.088916  13.898       0.662625 14.2616      0.965323 13.5739      0.911203 3.77253  0.127941  3.6807   0.123781  
1 1 1 33 21 17 o 5.80087  0.0752138 33.6771      0.872611 33.8143      1.26693  33.5533      1.20362  5.81008  0.109028  5.78806  0.103974  
1 1 1 33 21 18 o 8.57915  0.0847973 73.685       1.45498  73.0225      2.01093  74.4129      2.10778  8.53592  0.117792  8.61607  0.122317  
1 1 1 33 21 19 o 1.08571  0.284293  1.23973      0.624588 1.33054      0.878093 1.14672      0.888604 1.13971  0.350917  1.07997  0.355382  
1 1 1 33 21 20 o 5.77842  0.0812388 33.4342      0.938864 33.4258      1.34803  33.4421      1.30837  5.77367  0.116739  5.77554  0.113268  
1 1 1 33 21 21 o 2.93125  0.117742  8.61833      0.690263 8.00679      0.950891 9.29954      1.0036   2.82092  0.168543  3.04051  0.165038  
1 1 1 33 21 22 o 1.37669  0.251794  1.98402      0.667499 2.68105      0.895377 1.11201      1.00148  1.59667  0.291181  1.08499  0.376752  
1 1 1 33 21 23 o 3.06699  0.117279  9.44377      0.719386 9.18818      1.00499  9.71236      1.03021  3.01924  0.166431  3.10424  0.165936  
1 1 1 33 21 24 o 3.05638  0.11795   9.38317      0.720998 9.6089       1.04184  9.1757       0.998812 3.08555  0.168825  3.01572  0.165601  
1 1 1 33 21 25 o 2.92411  0.129889  8.60236      0.759619 8.17346      1.06692  9.04328      1.08176  2.84082  0.187783  2.98952  0.180926  
1 1 1 33 21 26 o 4.58344  0.103662  21.095       0.950261 19.9852      1.28383  22.4398      1.41321  4.45263  0.144165  4.71665  0.149811  
1 1 1 33 21 27 o 2.63857  0.147846  7.02749      0.780202 5.9972       1.12112  7.99502      1.08644  2.42098  0.231543  2.80486  0.193671  
1 1 1 33 21 28 o 0.881127 0.322146  0.688491     0.740525 0.998491     1.02563  0.350893     1.07031  1.03904  0.379196  0.892931 0.368981  
1 1 1 33 21 29 o 2.23646  0.188775  5.10574      0.844374 4.73637      1.13326  5.56669      1.26598  2.13277  0.265678  2.30921  0.274116  
1 1 1 33 21 30 o 4.61579  0.110024  21.4727      1.01569  21.6334      1.38129  21.2835      1.49869  4.61761  0.149568  4.57354  0.163844  
1 1 1 33 21 31 o 0.864695 0.342985  0.534373     0.881949 0.973722     1.23047  0.0701843    1.26477  1.05413  0.408457  0.884617 0.384346  
1 1 1 33 21 32 o 2.47452  0.18818   6.30037      0.931312 6.08309      1.31271  6.52057      1.32148  2.39407  0.274159  2.48281  0.266126  
1 1 1 33 21 33 o 1.97999  0.230278  4.11986      0.911896 3.90896      1.26759  4.34609      1.31284  1.84637  0.355967  1.95346  0.348573  
1 1 1 33 21 34 o 1.42818  0.31502   2.35147      0.87565  2.9877       1.23071  1.69919      1.24614  1.56163  0.39385   1.19161  0.419631  
1 1 1 33 21 35 o 1.30367  0.328869  2.01931      0.857952 1.21245      1.20218  2.85681      1.22479  1.05106  0.404465  1.50346  0.400156  
1 1 1 33 21 36 o 1.92402  0.247908  4.09722      0.953961 3.80899      1.36688  4.37092      1.332    1.69597  0.40746   1.86384  0.370486  
1 1 1 33 21 37 o 1.00783  0.352396  1.28258      0.877471 2.1906       1.26126  0.43084      1.22155  1.23532  0.423392  0.852628 0.374048  
1 1 1 33 21 38 o 0.957351 0.371124  1.26041      1.01605  1.17422      1.46794  1.33969      1.40777  0.95378  0.414226  0.978785 0.414751  
1 1 1 33 21 39 o 0.729495 0.327828  0.338708     0.999378 0.807042     1.43499  -0.102385    1.39263  0.850052 0.386371  0.740394 0.350607  
1 1 1 33 21 40 o 0.918536 0.369072  1.44368      1.0363   -0.177859    1.51635  2.86474      1.41952  0.719192 0.347523  1.14756  0.440061  
1 1 1 33 22 0  o 12.1934  0.149426  148.823      3.64277  148.823      3.64277  148.823      3.64277  12.1963  0.105616  ?        ?         
1 1 1 33 22 1  o 5.92654  0.0752657 35.1333      0.89213  35.6442      1.30554  34.6856      1.22193  5.96858  0.109368  5.88794  0.103766  
1 1 1 33 22 2  o 8.51998  0.0771203 72.6108      1.31413  72.1941      1.88198  73.0072      1.83579  8.4942   0.110781  8.54205  0.107456  
1 1 1 33 22 3  o 7.84359  0.0758387 61.5392      1.1897   62.8675      1.80998  60.5288      1.57862  7.92636  0.114174  7.77806  0.101479  
1 1 1 33 22 4  o 9.36614  0.0872713 87.7584      1.63479  86.114       2.30857  89.4124      2.31533  9.27613  0.124436  9.45223  0.122476  
1 1 1 33 22 5  o 5.75872  0.0807429 33.1742      0.929951 32.6235      1.36269  33.6542      1.27226  5.70957  0.119334  5.7994   0.109689  
1 1 1 33 22 6  o 5.78828  0.0819879 33.5166      0.949139 33.4962      1.40142  33.534       1.29005  5.78526  0.12112   5.78888  0.111425  
1 1 1 33 22 7  o 2.68387  0.125102  7.20966      0.671515 7.47391      0.958075 6.95449      0.941474 2.73141  0.175381  2.6347   0.178668  
1 1 1 33 22 8  o 6.74527  0.0840828 45.5184      1.13432  46.852       1.57626  44.0861      1.63362  6.84205  0.115189  6.63663  0.123076  
1 1 1 33 22 9  o 8.99521  0.0831402 80.9506      1.49573  79.2827      2.06491  82.7918      2.16953  8.9001   0.116005  9.0947   0.119274  
1 1 1 33 22 10 o 4.26264  0.0876715 18.1801      0.747425 17.9801      1.05923  18.3784      1.05482  4.2379   0.124971  4.28466  0.123093  
1 1 1 33 22 11 o 9.17263  0.0859127 84.186       1.57609  86.3011      2.21437  82.0144      2.24378  9.28459  0.11925   9.05065  0.123957  
1 1 1 33 22 12 o 12.8304  0.103532  164.777      2.6567   167.853      3.74613  161.665      3.76825  12.9436  0.14471   12.7022  0.148331  
1 1 1 33 22 13 o 14.8701  0.110931  221.401      3.29911  223.852      4.72151  219.063      4.61172  14.9425  0.157989  14.7823  0.155988  
1 1 1 33 22 14 o 7.05075  0.0760913 49.745       1.073    50.497       1.53008  49.0173      1.50513  7.10154  0.107728  6.99674  0.10756   
1 1 1 33 22 15 o 2.72645  0.10861   7.44433      0.592242 7.84753      0.848427 7.06114      0.827095 2.79738  0.151647  2.65331  0.155861  
1 1 1 33 22 16 o 5.35744  0.0752977 28.7247      0.806807 30.8815      1.1862   26.868       1.1006   5.55272  0.106812  5.17938  0.106248  
1 1 1 33 22 17 o 5.01721  0.079116  25.1962      0.793883 25.4952      1.11278  24.8863      1.13293  5.04459  0.110294  4.9837   0.113664  
1 1 1 33 22 18 o 10.3331  0.0928345 106.931      1.91854  106.426      2.77773  107.391      2.65301  10.3002  0.134839  10.3483  0.128186  
1 1 1 33 22 19 o 2.8879   0.11265   8.36031      0.650642 8.52194      0.934998 8.20856      0.90598  2.91203  0.160541  2.85816  0.15849   
1 1 1 33 22 20 o 2.02765  0.155128  4.13208      0.629092 4.99055      0.928814 3.40448      0.855092 2.2239   0.208826  1.8348   0.23302   
1 1 1 33 22 21 o 2.54719  0.135626  6.51633      0.69093  6.63148      0.927036 6.37244      1.03632  2.56532  0.180686  2.51181  0.206289  
1 1 1 33 22 22 o 1.86301  0.175842  3.50037      0.655189 3.10038      0.882156 3.99245      0.978464 1.74564  0.252673  1.98169  0.246875  
1 1 1 33 22 23 o 2.58226  0.131697  6.70321      0.680148 5.29061      0.955819 8.15218      0.968047 2.28499  0.209152  2.8427   0.170269  
1 1 1 33 22 24 o 1.57766  0.216546  2.52925      0.683271 2.48087      0.982668 2.57453      0.950706 1.5182   0.332729  1.5514   0.317356  
1 1 1 33 22 25 o 6.24255  0.0939249 39.0922      1.17266  39.7819      1.68586  38.4456      1.63223  6.28693  0.134077  6.18103  0.132035  
1 1 1 33 22 26 o 0.715254 0.302164  0.0816748    0.743506 0.274622     1.05412  -0.10935     1.04885  0.877902 0.364679  0.800167 0.348846  
1 1 1 33 22 27 o 0.72673  0.298332  0.220728     0.694643 0.768321     0.97683  -0.339473    0.988012 0.966526 0.366668  0.731502 0.327414  
1 1 1 33 22 28 o 0.575107 0.2679    -0.6312      0.750456 -0.028439    1.05003  -1.26056     1.07295  0.807939 0.350603  0.63865  0.30465   
1 1 1 33 22 29 o 5.36066  0.105959  28.9316      1.13602  29.0209      1.56412  28.8319      1.6527   5.35252  0.14611   5.33078  0.155015  
1 1 1 33 22 30 o 1.36947  0.315098  2.074        0.845637 1.28136      1.12528  3.10241      1.28176  1.1187   0.398274  1.64605  0.394002  
1 1 1 33 22 31 o 2.01067  0.226159  4.19996      0.909466 4.23429      1.32354  4.16925      1.25181  1.94453  0.353366  1.96752  0.31812   
1 1 1 33 22 32 o 3.76085  0.134368  14.3677      1.01067  14.3284      1.40227  14.4101      1.45798  3.72812  0.188067  3.73439  0.19521   
1 1 1 33 22 33 o 2.17591  0.218722  4.97352      0.951837 5.22823      1.31359  4.69193      1.38116  2.18504  0.300586  2.047    0.337361  
1 1 1 33 22 34 o 1.06343  0.352744  1.30708      0.875459 1.79147      1.28596  0.888645     1.19519  1.2114   0.426313  0.988694 0.396733  
1 1 1 33 22 35 o 1.11217  0.359937  1.50627      0.912079 1.11624      1.32315  1.85939      1.25899  1.03495  0.416543  1.20399  0.422003  
1 1 1 33 22 36 o 0.629025 0.293146  -0.480768    0.899825 0.722123     1.288    -1.62761     1.25763  0.925645 0.394632  0.627696 0.306253  
1 1 1 33 22 37 o 0.999724 0.359533  1.30581      0.919069 1.51429      1.30913  1.10318      1.29059  1.0476   0.417136  0.964602 0.402281  
1 1 1 33 22 38 o 1.65969  0.317131  3.5576       1.01503  2.31615      1.43748  4.7921       1.43346  1.15941  0.443348  1.80354  0.40704   
1 1 1 33 22 39 o 0.640302 0.300248  -0.150734    0.97406  0.792207     1.41988  -0.989007    1.33876  0.825254 0.378072  0.638435 0.312452  
1 1 1 33 22 40 o 0.701165 0.319521  0.351297     0.995337 -0.135964    1.45754  0.777088     1.3625   0.707744 0.341762  0.792492 0.365998  
1 1 1 33 23 0  o 11.6739  0.127838  136.387      2.98394  136.387      2.98394  136.387      2.98394  11.6762  0.0903653 ?        ?         
1 1 1 33 23 1  o 9.58175  0.0805351 91.8414      1.54333  94.4145      2.25356  89.5685      2.11796  9.71329  0.116004  9.46096  0.111931  
1 1 1 33 23 2  o 18.858   0.134618  355.968      5.07724  357.582      7.2134   354.383      7.14767  18.8916  0.190916  18.807   0.190026  
1 1 1 33 23 3  f 4.33203  0.0817792 18.7733      0.70854  19.2643      1.11048  18.4362      0.920185 4.38721  0.126559  4.2924   0.107188  
1 1 1 33 23 4  o 6.05039  0.0787001 36.62        0.952333 35.8314      1.33458  37.4381      1.35936  5.98386  0.111515  6.11656  0.111122  
1 1 1 33 23 5  o 3.99217  0.0905529 15.945       0.723006 16.3776      1.05673  15.5643      0.991364 4.04493  0.130624  3.94335  0.125701  
1 1 1 33 23 6  o 12.3391  0.111862  152.369      2.76055  150.651      3.85176  154.184      3.95845  12.2648  0.157025  12.4075  0.159519  
1 1 1 33 23 7  f 2.16702  0.142571  4.70205      0.61791  5.12546      0.890398 4.30871      0.858203 2.26113  0.196892  2.07289  0.207006  
1 1 1 33 23 8  o 8.14421  0.0781117 66.3556      1.27232  63.9275      1.76607  68.9755      1.83453  7.99213  0.110488  8.30167  0.110492  
1 1 1 33 23 9  f 5.698    0.0735648 32.48        0.838344 33.4122      1.1807   31.5323      1.19055  5.7781   0.102171  5.61303  0.106053  
1 1 1 33 23 10 o 3.34872  0.0953869 11.2221      0.638848 11.5819      0.874283 10.8099      0.935784 3.40095  0.128535  3.28515  0.142427  
1 1 1 33 23 11 o 11.2964  0.0944993 127.711      2.135    131.786      3.03628  123.726      3.00269  11.4707  0.13235   11.1141  0.135085  
1 1 1 33 23 12 o 5.45491  0.0791396 29.7753      0.863399 30.3373      1.17151  29.1071      1.27742  5.50473  0.106409  5.39122  0.118472  
1 1 1 33 23 13 o 2.45705  0.128047  6.04802      0.629236 7.00182      0.874261 5.02289      0.906356 2.64211  0.165447  2.23612  0.202662  
1 1 1 33 23 14 o 4.33362  0.0815772 18.7953      0.707049 17.8074      1.01773  19.7169      0.983011 4.21617  0.120693  4.43709  0.110772  
1 1 1 33 23 15 o 3.42309  0.0862069 11.7294      0.590189 11.8843      0.835809 11.5754      0.833502 3.44391  0.121346  3.39879  0.122617  
1 1 1 33 23 16 o 6.45941  0.0754092 41.759       0.974198 42.7979      1.36494  40.6803      1.39087  6.53671  0.104406  6.37247  0.109131  
1 1 1 33 23 17 o 5.6034   0.078995  31.4303      0.885281 30.7723      1.25083  32.0906      1.25312  5.54143  0.112862  5.65911  0.110717  
1 1 1 33 23 18 o 1.85325  0.159075  3.45059      0.589612 3.27741      0.822809 3.63336      0.845321 1.80169  0.228344  1.89744  0.222753  
1 1 1 33 23 19 o 3.31058  0.102364  10.9833      0.677766 10.1602      0.980315 11.737       0.93809  3.17987  0.154144  3.41943  0.137171  
1 1 1 33 23 20 o 3.04016  0.108282  9.26679      0.658391 9.01327      0.941963 9.50895      0.920616 2.99398  0.157309  3.07601  0.149645  
1 1 1 33 23 21 o 4.19213  0.0966158 17.6161      0.810052 16.3632      1.07784  19.2423      1.22796  4.03595  0.13353   4.3756   0.140319  
1 1 1 33 23 22 o 3.92199  0.099373  15.4261      0.779479 14.6773      1.06705  16.2828      1.1414   3.82037  0.139653  4.02355  0.14184   
1 1 1 33 23 23 o 2.71798  0.126941  7.42565      0.690046 7.73115      0.996127 7.14379      0.956805 2.76593  0.180071  2.65881  0.179931  
1 1 1 33 23 24 o 3.98108  0.1033    15.9099      0.822493 14.4865      1.17657  17.2703      1.15024  3.78959  0.155237  4.1413   0.138874  
1 1 1 33 23 25 o 5.4962   0.0940575 30.3102      1.03392  30.5916      1.46946  30.0343      1.45501  5.51225  0.13329   5.46183  0.133198  
1 1 1 33 23 26 o 0.79747  0.313701  0.412751     0.732123 0.315999     1.0199   0.515608     1.05158  0.874148 0.360614  0.929224 0.372441  
1 1 1 33 23 27 o 2.56077  0.145312  6.6276       0.744218 5.66865      1.0236   7.70297      1.08396  2.35291  0.217518  2.74853  0.197188  
1 1 1 33 23 28 o 0.800965 0.320966  0.385431     0.780762 0.0337285    1.0917   0.753666     1.11707  0.832615 0.359345  0.991693 0.388165  
1 1 1 33 23 29 o 1.39867  0.307408  2.14487      0.836592 1.62597      1.13864  2.75359      1.23326  1.22117  0.402286  1.55467  0.395556  
1 1 1 33 23 30 o 0.808177 0.328067  0.376543     0.830616 0.496849     1.11163  0.224469     1.24981  0.921552 0.377701  0.90738  0.387849  
1 1 1 33 23 31 o 1.9138   0.232039  3.81466      0.888152 3.07767      1.25608  4.55155      1.25599  1.63246  0.389583  2.06085  0.304726  
1 1 1 33 23 32 o 1.57449  0.298543  2.74364      0.906022 3.46733      1.28141  2.02017      1.2812   1.72691  0.381225  1.31113  0.426727  
1 1 1 33 23 33 o 1.13578  0.358741  1.50632      0.91008  0.693506     1.31139  2.26146      1.26401  0.97877  0.406678  1.34987  0.422122  
1 1 1 33 23 34 o 0.61676  0.286171  -0.524804    0.845598 -0.312398    1.20782  -0.729001    1.18424  0.776123 0.353222  0.713704 0.33402   
1 1 1 33 23 35 f 0.747704 0.322596  0.199138     0.879292 0.646415     1.25833  -0.227671    1.2292   0.924028 0.391862  0.778475 0.354839  
1 1 1 33 23 36 o 0.771009 0.32645   0.379015     0.871023 2.20496      1.24427  -1.37558     1.21972  1.25415  0.420532  0.635433 0.307895  
1 1 1 33 23 37 o 0.564571 0.272668  -0.956864    0.928887 -1.21102     1.30692  -0.697408    1.32047  0.6555   0.317959  0.706389 0.337202  
1 1 1 33 23 38 o 1.01951  0.37238   1.53307      0.989273 3.5466       1.42176  -0.356718    1.37738  1.45166  0.446436  0.734601 0.34825   
1 1 1 33 23 39 o 0.552901 0.269451  -0.856974    0.963366 -1.73824     1.38632  -0.0339904   1.33969  0.59004  0.293916  0.711591 0.339676  
1 1 1 33 23 40 o 0.858096 0.358271  1.36187      1.02546  1.46232      1.48956  1.27138      1.41384  0.837097 0.385061  0.816874 0.375501  
1 1 1 33 24 0  f 1.29963  0.321404  1.9729       0.722383 1.9729       0.722383 1.9729       0.722383 1.36182  0.20046   ?        ?         
1 1 1 33 24 1  o 2.73245  0.0997419 7.47061      0.54508  7.03706      0.75969  7.93064      0.782537 2.65117  0.143275  2.81456  0.139016  
1 1 1 33 24 2  o 6.76161  0.0672103 45.7314      0.908899 45.6112      1.29346  45.8487      1.27744  6.75179  0.0957866 6.7694   0.0943543 
1 1 1 33 24 3  o 4.73151  0.0748477 22.3947      0.708284 23.7216      1.05141  21.2921      0.958375 4.86878  0.107974  4.61285  0.103881  
1 1 1 33 24 4  o 5.61492  0.07731   31.5389      0.868178 32.1316      1.20931  30.9086      1.24714  5.66648  0.106708  5.55738  0.112206  
1 1 1 33 24 5  o 2.03507  0.148938  4.14735      0.606196 3.56894      0.899462 4.62871      0.820545 1.88571  0.238494  2.14892  0.19092   
1 1 1 33 24 6  o 7.16235  0.0791023 51.3207      1.13312  50.9485      1.60323  51.6923      1.60171  7.13478  0.112353  7.18672  0.111435  
1 1 1 33 24 7  f 5.78955  0.0754331 33.5324      0.873448 35.1118      1.26357  32.087       1.20874  5.92311  0.106664  5.66224  0.106737  
1 1 1 33 24 8  o 8.366    0.0763038 70.0208      1.27672  70.249       1.79699  69.7883      1.81423  8.37778  0.107248  8.35017  0.108634  
1 1 1 33 24 9  o 12.5333  0.100329  157.214      2.51491  155.553      3.56045  158.868      3.55281  12.4615  0.142858  12.5939  0.141053  
1 1 1 33 24 10 o 3.57197  0.0911093 12.7687      0.650879 14.9132      0.919027 10.6107      0.921943 3.85923  0.119069  3.25439  0.141646  
1 1 1 33 24 11 o 4.80982  0.0844319 23.1515      0.812205 22.1722      1.18565  24.0174      1.11488  4.70489  0.126001  4.89749  0.113822  
1 1 1 33 24 12 o 7.81657  0.0829809 61.1451      1.29725  59.5631      1.78701  62.9076      1.88619  7.71201  0.115859  7.92525  0.118999  
1 1 1 33 24 13 o 11.7992  0.100867  139.391      2.3803   137.3        3.47876  141.232      3.264    11.702   0.148639  11.8707  0.137482  
1 1 1 33 24 14 o 5.56253  0.0711697 30.9626      0.791767 31.1757      1.09805  30.7319      1.14275  5.57992  0.0983926 5.5397   0.103142  
1 1 1 33 24 15 o 2.17137  0.125822  4.72565      0.546411 4.73524      0.780405 4.71643      0.765299 2.17095  0.179738  2.16681  0.176596  
1 1 1 33 24 16 o 3.5966   0.0913895 12.9528      0.657383 12.662       0.91031  13.2696      0.950341 3.55368  0.12808   3.63776  0.130622  
1 1 1 33 24 17 o 11.1367  0.0921711 124.214      2.05296  124.826      2.84948  123.552      2.96033  11.1562  0.127708  11.0977  0.133376  
1 1 1 33 24 18 o 3.09687  0.101416  9.61021      0.628145 9.37093      0.897699 9.83976      0.879251 3.05467  0.146939  3.13073  0.140423  
1 1 1 33 24 19 o 3.80413  0.0906164 14.4968      0.689433 14.3658      0.967671 14.6319      0.98251  3.78367  0.127875  3.81847  0.128652  
1 1 1 33 24 20 o 1.0724   0.27663   1.21545      0.597038 0.750513     0.849235 1.66982      0.839526 0.942803 0.344954  1.25309  0.330283  
1 1 1 33 24 21 o 3.20121  0.112193  10.2837      0.718308 10.0419      0.987102 10.5558      1.04725  3.15826  0.156273  3.23728  0.161748  
1 1 1 33 24 22 o 4.79675  0.0921644 23.0687      0.884178 23.5039      1.21753  22.5831      1.28612  4.83633  0.125874  4.73879  0.135701  
1 1 1 33 24 23 f 6.24484  0.0889989 39.1051      1.11157  39.1982      1.60296  39.0189      1.54276  6.24289  0.128383  6.22984  0.12382   
1 1 1 33 24 24 f 3.8915   0.106802  15.2055      0.831241 15.1955      1.17753  15.2153      1.17359  3.88206  0.151663  3.88471  0.151052  
1 1 1 33 24 25 o 2.59591  0.141483  6.79244      0.734556 6.36937      1.01153  7.26446      1.06844  2.50341  0.20203   2.67401  0.199783  
1 1 1 33 24 26 o 1.74036  0.212703  3.09517      0.740362 1.97873      1.02597  4.30823      1.06945  1.34081  0.370509  2.04222  0.261834  
1 1 1 33 24 27 o 1.29067  0.283184  1.80008      0.711064 1.67289      0.973505 1.94554      1.04109  1.23618  0.367285  1.32491  0.375623  
1 1 1 33 24 28 o 1.77701  0.225552  3.25347      0.801617 2.15953      1.08862  4.54924      1.18479  1.38664  0.380988  2.08319  0.28437   
1 1 1 33 24 29 o 2.18096  0.200138  4.88386      0.872985 4.99308      1.18157  4.75257      1.29545  2.18163  0.270799  2.11466  0.306302  
1 1 1 33 24 30 f 1.42365  0.298975  2.23278      0.824198 2.13987      1.15212  2.33016      1.17954  1.36296  0.398006  1.41892  0.399034  
1 1 1 33 24 31 o 2.59261  0.1799    6.90594      0.932822 5.8429       1.32024  7.96567      1.31819  2.3398   0.282126  2.75655  0.2391    
1 1 1 33 24 32 f 1.70418  0.269248  3.11297      0.917696 3.53219      1.38593  2.78566      1.22462  1.71443  0.409277  1.52607  0.397376  
1 1 1 33 24 33 o 1.92733  0.234001  3.96193      0.901995 3.00519      1.29576  4.86139      1.25638  1.55275  0.410817  2.09384  0.300018  
1 1 1 33 24 34 o 0.997699 0.351748  1.12977      0.875808 -0.0759176   1.1849   2.58172      1.30029  0.799063 0.358082  1.40831  0.42571   
1 1 1 33 24 35 o 1.87844  0.250234  3.91406      0.940101 2.42357      1.33364  5.38619      1.3254   1.31666  0.435373  2.14853  0.308444  
1 1 1 33 24 36 o 1.0739   0.346539  1.47661      0.845891 1.82228      1.22374  1.16033      1.17057  1.14457  0.414546  0.986332 0.393909  
1 1 1 33 24 37 o 1.63331  0.31342   3.40516      0.9873   3.64494      1.40871  3.17368      1.38412  1.5137   0.439481  1.39473  0.442606  
1 1 1 33 24 38 o 0.872695 0.356553  1.04759      0.987522 0.925687     1.42854  1.15915      1.36665  0.872895 0.392122  0.905201 0.396385  
1 1 1 33 24 39 o 0.572502 0.277186  -0.687344    0.983018 -1.2826      1.44431  -0.17363     1.34174  0.626465 0.310037  0.694999 0.333705  
1 1 1 33 24 40 o 0.666174 0.311641  0.374463     1.02922  -0.603546    1.53405  1.17509      1.38797  0.634557 0.315126  0.770353 0.360724  
1 1 1 33 25 0  o 9.54031  0.122637  91.1061      2.33912  91.1061      2.33912  91.1061      2.33912  9.54262  0.0866805 ?        ?         
1 1 1 33 25 1  o 11.8848  0.0936703 141.329      2.22651  144.191      3.26374  138.837      3.04515  12.0008  0.13598   11.7765  0.129289  
1 1 1 33 25 2  o 16.0264  0.119133  257.083      3.81857  257.1        5.39846  257.066      5.40208  16.0194  0.168497  16.0183  0.168622  
1 1 1 33 25 3  o 10.8656  0.0962613 118.134      2.09188  116.978      2.96279  119.283      2.95396  10.8088  0.137054  10.915   0.135316  
1 1 1 33 25 4  o 6.65917  0.0791876 44.3636      1.05465  43.8737      1.47489  44.8761      1.50868  6.62089  0.111382  6.69603  0.112655  
1 1 1 33 25 5  o 1.37923  0.204041  1.9079       0.562838 1.94834      0.824457 1.8726       0.77025  1.36424  0.309247  1.33799  0.29573   
1 1 1 33 25 6  o 9.58957  0.086669  92.0115      1.66224  94.9221      2.44596  89.5136      2.26587  9.737    0.125601  9.45604  0.119811  
1 1 1 33 25 7  o 6.02611  0.0758778 36.3307      0.914496 35.9878      1.27892  36.6894      1.30816  5.99624  0.106644  6.05434  0.108035  
1 1 1 33 25 8  o 6.34074  0.0847506 40.23        1.07476  39.1706      1.51792  41.2951      1.52198  6.25464  0.121343  6.4222   0.118494  
1 1 1 33 25 9  o 4.9176   0.0876829 24.2007      0.862379 24.1359      1.209    24.2678      1.23046  4.90927  0.123134  4.92255  0.124982  
1 1 1 33 25 10 o 1.34093  0.201067  1.80573      0.539234 2.02254      0.692559 1.47194      0.859329 1.39535  0.257866  1.19208  0.342327  
1 1 1 33 25 11 o 0.850721 0.276515  0.705415     0.537968 0.585924     0.738276 0.840688     0.785523 0.865035 0.320891  0.961221 0.333677  
1 1 1 33 25 12 o 7.56872  0.0824943 57.3321      1.24875  57.3901      1.79139  57.2773      1.74166  7.56927  0.118333  7.56217  0.115156  
1 1 1 33 25 13 o 6.67777  0.07887   44.6294      1.05335  44.9761      1.47144  44.2649      1.50858  6.70107  0.109791  6.64752  0.11347   
1 1 1 33 25 14 o 3.17071  0.0885186 10.0647      0.561333 10.7271      0.821826 9.48544      0.768541 3.2715   0.125604  3.07638  0.12491   
1 1 1 33 25 15 o 7.10523  0.0761701 50.5301      1.08241  50.0576      1.50327  51.0388      1.55982  7.06883  0.106331  7.13742  0.10927   
1 1 1 33 25 16 o 4.27948  0.0787591 18.3339      0.674097 18.3576      0.955288 18.3103      0.951358 4.27989  0.111602  4.2744   0.111286  
1 1 1 33 25 17 o 7.63028  0.0761782 58.2866      1.16252  58.6926      1.65497  57.8911      1.63335  7.65247  0.108133  7.60014  0.107455  
1 1 1 33 25 18 o 4.94595  0.0799217 24.495       0.790578 23.3228      1.11241  25.6913      1.12376  4.82273  0.11533   5.0622   0.110996  
1 1 1 33 25 19 o 0.873143 0.281367  0.757685     0.557784 0.501703     0.773356 1.03522      0.805262 0.845211 0.32461   1.02491  0.338306  
1 1 1 33 25 20 o 4.31216  0.0886432 18.6335      0.764487 17.3042      1.06425  20.0508      1.09888  4.15084  0.128197  4.46891  0.122947  
1 1 1 33 25 21 o 3.23031  0.114234  10.4751      0.738026 11.8572      1.03122  9.02375      1.0567   3.43211  0.150231  2.99032  0.176687  
1 1 1 33 25 22 o 4.68626  0.0888508 22.0175      0.832755 21.4451      1.15374  22.64        1.2032   4.619    0.124891  4.74558  0.126771  
1 1 1 33 25 23 o 4.43313  0.0976584 19.7201      0.865865 19.2074      1.24175  20.2053      1.20799  4.36666  0.142185  4.4803   0.134811  
1 1 1 33 25 24 o 2.09406  0.174421  4.43614      0.730496 4.75413      1.02396  4.10657      1.04245  2.1572   0.237335  2.00058  0.260536  
1 1 1 33 25 25 o 2.67358  0.139714  7.20576      0.747073 7.26946      1.03746  7.13715      1.07667  2.67525  0.1939    2.64877  0.203239  
1 1 1 33 25 26 o 1.50048  0.243132  2.31864      0.729632 1.06547      1.00045  3.74253      1.06642  1.05315  0.375474  1.89718  0.281055  
1 1 1 33 25 27 o 1.70519  0.212932  2.98318      0.726179 2.31193      1.01225  3.69493      1.04235  1.44243  0.353224  1.88115  0.277051  
1 1 1 33 25 28 o 2.78613  0.153966  7.87694      0.857939 9.1452       1.1605   6.34833      1.27405  2.9889   0.194135  2.46844  0.258068  
1 1 1 33 25 29 o 0.771509 0.322016  0.22495      0.828005 0.612506     1.14674  -0.197198    1.19682  0.956928 0.386689  0.821075 0.364279  
1 1 1 33 25 30 o 2.01895  0.209269  4.21285      0.845007 4.29223      1.19173  4.13258      1.19834  2.00498  0.297192  1.964    0.305077  
1 1 1 33 25 31 o 1.48384  0.312647  2.46447      0.898765 2.80421      1.31556  2.16712      1.23077  1.53219  0.417869  1.3543   0.415141  
1 1 1 33 25 32 o 1.80528  0.248304  3.47765      0.896515 2.29758      1.30053  4.54618      1.23754  1.36393  0.428508  2.03203  0.304509  
1 1 1 33 25 33 o 1.2436   0.349757  1.84533      0.90617  1.76142      1.28155  1.92922      1.28148  1.20255  0.425341  1.2464   0.426774  
1 1 1 33 25 34 f 0.898839 0.349036  0.801311     0.899504 0.342431     1.23464  1.32042      1.31317  0.872614 0.379445  1.07456  0.420807  
1 1 1 33 25 35 o 1.72701  0.265419  3.37173      0.916764 2.97125      1.29301  3.77656      1.30002  1.46616  0.419554  1.69727  0.390798  
1 1 1 33 25 36 o 0.951642 0.352945  1.14218      0.893044 1.21768      1.26617  1.06743      1.25977  0.984761 0.40327   0.954919 0.397794  
1 1 1 33 25 37 o 0.606752 0.289354  -0.627714    0.96618  -1.61933     1.43161  0.201752     1.30934  0.645035 0.317731  0.79258  0.363084  
1 1 1 33 25 38 o 0.713077 0.319496  0.368667     0.942951 0.234612     1.34875  0.496839     1.31882  0.754191 0.353591  0.782165 0.360792  
1 1 1 33 25 39 o 0.80105  0.342524  0.911283     0.975386 1.76695      1.44579  0.196534     1.32139  0.932401 0.408003  0.726808 0.343044  
1 1 1 33 26 0  o 1.54173  0.271659  2.59266      0.759971 2.59266      0.759971 2.59266      0.759971 1.581    0.174826  ?        ?         
1 1 1 33 26 1  f 5.217    0.0720916 27.2272      0.752204 26.5216      1.05613  27.9537      1.07159  5.14795  0.102578  5.28516  0.101377  
1 1 1 33 26 2  o 3.96182  0.076327  15.7027      0.604788 16.3975      0.85683  15.0128      0.853778 4.04772  0.105841  3.87291  0.110224  
1 1 1 33 26 3  o 11.5665  0.0955927 133.874      2.21134  135.266      3.21093  132.618      3.04989  11.6221  0.13814   11.5084  0.132507  
1 1 1 33 26 4  o 5.71445  0.0772371 32.6698      0.882735 31.7612      1.21388  33.6897      1.28599  5.63317  0.107744  5.80152  0.110832  
1 1 1 33 26 5  o 6.3526   0.074764  40.3736      0.949891 40.2691      1.35113  40.4758      1.3357   6.34288  0.106507  6.35921  0.105021  
1 1 1 33 26 6  o 6.7588   0.0818658 45.7075      1.10663  43.7876      1.53229  47.8007      1.59992  6.6134   0.115847  6.90982  0.115771  
1 1 1 33 26 7  o 3.86874  0.0975183 14.9803      0.754546 14.1677      1.0465   15.8602      1.08895  3.76063  0.139138  3.97905  0.136835  
1 1 1 33 26 8  f 6.35224  0.0845878 40.3803      1.07464  38.396       1.45979  42.728       1.58781  6.1921   0.117875  6.5318   0.121545  
1 1 1 33 26 9  o 4.77704  0.0864545 22.8383      0.825993 23.0237      1.1733   22.6561      1.16303  4.79449  0.122359  4.75606  0.122268  
1 1 1 33 26 10 o 6.32291  0.0835718 40.0105      1.05683  40.2212      1.51806  39.8123      1.47217  6.33691  0.11978   6.30487  0.116749  
1 1 1 33 26 11 o 4.68464  0.0816626 21.9635      0.76512  22.5754      1.03946  21.24        1.13032  4.74792  0.109465  4.60448  0.122742  
1 1 1 33 26 12 o 4.52251  0.0806395 20.4708      0.729385 21.0356      1.01722  19.8731      1.04641  4.5827   0.110985  4.45384  0.117473  
1 1 1 33 26 13 o 11.1465  0.0954666 124.407      2.12824  123.577      2.99293  125.257      3.02694  11.102   0.134792  11.1771  0.135408  
1 1 1 33 26 14 o 7.69701  0.0854067 59.3107      1.31475  57.1037      1.87122  61.4624      1.84768  7.54765  0.123961  7.83129  0.117968  
1 1 1 33 26 15 f 3.35683  0.0855882 11.2825      0.574609 11.629       0.834722 10.9704      0.792186 3.40571  0.122547  3.30806  0.119736  
1 1 1 33 26 16 o 4.29568  0.0796047 18.475       0.683913 18.4132      0.97998  18.5337      0.954905 4.28576  0.11433   4.30007  0.111034  
1 1 1 33 26 17 o 5.86362  0.0763722 34.4231      0.895635 32.8806      1.22926  36.1683      1.3076   5.72745  0.107313  6.00677  0.108844  
1 1 1 33 26 18 o 5.96398  0.0765868 35.6156      0.913524 35.611       1.28952  35.6202      1.29433  5.95975  0.108186  5.96046  0.108576  
1 1 1 33 26 19 o 1.55525  0.17957   2.43854      0.558553 2.44085      0.785254 2.43617      0.794657 1.54984  0.253334  1.54803  0.256668  
1 1 1 33 26 20 o 4.5875   0.0862022 21.0898      0.790906 21.7766      1.07875  20.2915      1.16302  4.65771  0.115803  4.49398  0.129397  
1 1 1 33 26 21 o 4.85299  0.0861086 23.6061      0.835769 23.9185      1.17698  23.2884      1.18699  4.87951  0.120605  4.81432  0.123277  
1 1 1 33 26 22 o 4.89687  0.0951404 24.056       0.931779 24.1089      1.28003  23.9964      1.35898  4.89521  0.130743  4.88181  0.139188  
1 1 1 33 26 23 o 3.93831  0.108071  15.5755      0.85123  14.3382      1.18864  16.878       1.2196   3.76958  0.157662  4.09179  0.14903   
1 1 1 33 26 24 o 4.03736  0.105648  16.3728      0.853076 17.2067      1.17137  15.4311      1.24484  4.13149  0.141762  3.90843  0.159251  
1 1 1 33 26 25 o 1.75821  0.203172  3.1531       0.714438 3.58474      1.01536  2.72984      1.00545  1.86029  0.272903  1.5854   0.32819   
1 1 1 33 26 26 o 0.671662 0.289569  -0.0169157   0.707447 0.0923424    0.977613 -0.13703     1.02503  0.805597 0.343641  0.779868 0.342381  
1 1 1 33 26 27 o 2.59556  0.151694  6.82872      0.787463 7.25929      1.13222  6.42529      1.09595  2.65883  0.212917  2.49947  0.219236  
1 1 1 33 26 28 o 3.54103  0.129442  12.6773      0.916716 13.9244      1.25718  11.2614      1.33961  3.69635  0.170056  3.31129  0.202279  
1 1 1 33 26 29 o 3.87985  0.12239   15.2226      0.949713 13.9872      1.30531  16.6122      1.38437  3.69699  0.176537  4.03148  0.171695  
1 1 1 33 26 30 o 3.51318  0.132653  12.5193      0.932071 10.3012      1.28274  15.0003      1.35666  3.15701  0.203158  3.8244   0.177368  
1 1 1 33 26 31 o 1.63269  0.265536  2.84214      0.867076 3.99635      1.25423  1.78553      1.20003  1.87437  0.347612  1.24008  0.412988  
1 1 1 33 26 32 o 0.708531 0.313402  -0.0783323   0.876927 0.27371      1.29423  -0.377128    1.19235  0.897686 0.389392  0.768852 0.350191  
1 1 1 33 26 33 o 0.847938 0.34048   0.581429     0.881121 2.05416      1.27333  -0.771724    1.22054  1.27161  0.425413  0.719237 0.337053  
1 1 1 33 26 34 o 2.02734  0.233005  4.47376      0.944762 4.02739      1.28221  5.00391      1.3974   1.7975   0.369342  2.04964  0.340888  
1 1 1 33 26 35 o 0.857642 0.339512  0.746871     0.8626   2.00994      1.26761  -0.342471    1.17721  1.19797  0.423091  0.733843 0.339403  
1 1 1 33 26 36 o 1.4768   0.322946  2.80311      0.92761  2.49185      1.32648  3.10099      1.29767  1.25176  0.433697  1.42634  0.424104  
1 1 1 33 26 37 o 0.942156 0.365709  1.24664      0.987286 1.26921      1.41913  1.22547      1.37441  0.950831 0.410027  0.942351 0.404887  
1 1 1 33 26 38 f 0.679938 0.309484  0.236777     0.927825 -0.427163    1.30694  0.911404     1.31741  0.66956  0.323384  0.820483 0.372124  
1 1 1 33 26 39 o 1.04701  0.37254   2.04667      0.984436 1.28027      1.42038  2.75511      1.36564  0.825547 0.378178  1.07508  0.426682  
1 1 1 33 27 0  o 7.11656  0.104828  50.7009      1.49131  50.7009      1.49131  50.7009      1.49131  7.1185   0.0740865 ?        ?         
1 1 1 33 27 1  o 6.22359  0.0714966 38.7491      0.889931 37.5969      1.21656  40.0755      1.30522  6.12915  0.0992435 6.32775  0.103134  
1 1 1 33 27 2  o 2.32631  0.106798  5.41683      0.496892 5.52314      0.68342  5.29762      0.723733 2.34806  0.145529  2.29928  0.157383  
1 1 1 33 27 3  o 1.99305  0.124816  3.97752      0.497529 5.02155      0.688417 2.83593      0.719861 2.23861  0.15376   1.68072  0.214153  
1 1 1 33 27 4  o 3.79556  0.0830238 14.4151      0.630243 14.764       0.897394 14.0755      0.885326 3.84006  0.116846  3.7494   0.118062  
1 1 1 33 27 5  o 1.54566  0.171171  2.39565      0.529143 2.72473      0.735882 2.04334      0.761415 1.64683  0.223424  1.39967  0.281895  
1 1 1 33 27 6  o 2.65654  0.130576  7.06937      0.693759 7.39043      0.942299 6.68934      1.02518  2.71445  0.173571  2.58129  0.198579  
1 1 1 33 27 7  o 4.27213  0.0899186 18.2666      0.768288 19.0743      1.08119  17.4428      1.09194  4.36391  0.123878  4.17272  0.130842  
1 1 1 33 27 8  o 4.78546  0.087649  22.9199      0.838882 23.6564      1.15436  22.0956      1.22118  4.86004  0.11876   4.69626  0.130016  
1 1 1 33 27 9  o 11.6906  0.102391  136.835      2.39402  136.077      3.31729  137.659      3.45843  11.6516  0.142353  11.7181  0.147568  
1 1 1 33 27 10 o 4.38409  0.0941726 19.2413      0.825722 20.4957      1.16461  17.9733      1.17091  4.52257  0.128756  4.23448  0.138258  
1 1 1 33 27 11 o 3.23932  0.110689  10.5106      0.717114 10.9623      1.00506  10.0421      1.0235   3.30578  0.152016  3.16335  0.161774  
1 1 1 33 27 12 o 5.98965  0.0756698 35.9054      0.906471 37.2067      1.28702  34.6245      1.27693  6.09482  0.105583  5.87925  0.108596  
1 1 1 33 27 13 o 2.50616  0.114258  6.29348      0.572699 5.8351       0.796277 6.78466      0.824286 2.41048  0.16517   2.59965  0.158538  
1 1 1 33 27 14 o 1.84332  0.150545  3.4109       0.555006 3.29143      0.760484 3.54706      0.811822 1.80739  0.210382  1.87586  0.216387  
1 1 1 33 27 15 o 5.16182  0.074366  26.6719      0.767728 26.1971      1.08773  27.1432      1.08375  5.1129   0.106371  5.20464  0.104113  
1 1 1 33 27 16 o 2.79816  0.102748  7.84639      0.575011 6.90615      0.805481 8.8235       0.821122 2.62173  0.153616  2.96472  0.138482  
1 1 1 33 27 17 o 4.20652  0.0824827 17.721       0.693931 17.9988      0.995339 17.4583      0.967966 4.23619  0.117481  4.17225  0.116     
1 1 1 33 27 18 o 1.75776  0.161692  3.10937      0.568431 2.65633      0.796028 3.58074      0.811974 1.61796  0.245997  1.88167  0.215759  
1 1 1 33 27 19 o 2.71122  0.112792  7.37664      0.611609 7.55504      0.845602 7.18093      0.885681 2.73969  0.154325  2.66965  0.16588   
1 1 1 33 27 20 o 3.53013  0.0983613 12.4983      0.694457 12.8524      0.937061 12.0667      1.03435  3.57578  0.131029  3.46209  0.149382  
1 1 1 33 27 21 o 4.98688  0.0894555 24.9357      0.892208 24.2431      1.29292  25.5654      1.23278  4.90931  0.13168   5.04346  0.122215  
1 1 1 33 27 22 o 4.87877  0.0942151 23.8783      0.919308 23.7539      1.29167  24.006       1.3087   4.85828  0.132935  4.88375  0.133985  
1 1 1 33 27 23 o 3.72355  0.109937  13.9299      0.818711 14.4202      1.13018  13.3886      1.18762  3.78099  0.149456  3.64024  0.163123  
1 1 1 33 27 24 o 5.05796  0.0910612 25.6724      0.921168 25.7599      1.28474  25.5798      1.3215   5.0581   0.126998  5.03926  0.13112   
1 1 1 33 27 25 o 2.58057  0.14434   6.72946      0.74496  6.3481       1.06585  7.09369      1.04164  2.49094  0.213945  2.63758  0.197461  
1 1 1 33 27 26 o 4.17347  0.105321  17.5285      0.879107 18.2665      1.24329  16.7906      1.2432   4.24787  0.146342  4.07045  0.152711  
1 1 1 33 27 27 o 0.768494 0.316029  0.26712      0.78085  1.25045      1.10798  -0.703219    1.10064  1.11314  0.39531   0.715983 0.33001   
1 1 1 33 27 28 o 1.13392  0.334316  1.42017      0.809123 1.85647      1.09319  0.89159      1.20326  1.28117  0.390953  1.03312  0.403173  
1 1 1 33 27 29 o 2.25858  0.189725  5.24125      0.857019 5.70507      1.19817  4.75537      1.22633  2.33044  0.257071  2.11381  0.290076  
1 1 1 33 27 30 o 1.31561  0.322802  1.95682      0.844129 1.92614      1.19274  1.9876       1.19482  1.28621  0.411143  1.30368  0.410952  
1 1 1 33 27 31 o 0.986341 0.345169  1.04161      0.841994 0.0309563    1.1437   2.23761      1.24416  0.823572 0.361612  1.35582  0.417757  
1 1 1 33 27 32 o 1.60831  0.266451  2.81327      0.857074 1.83219      1.24113  3.70761      1.18499  1.22348  0.419934  1.77961  0.345258  
1 1 1 33 27 33 o 0.951089 0.349366  0.985441     0.871841 1.49107      1.22905  0.473317     1.23692  1.11562  0.413995  0.900451 0.385397  
1 1 1 33 27 34 o 0.954138 0.360531  1.04641      0.941287 0.380229     1.3167   1.74272      1.34615  0.876358 0.386293  1.14059  0.431101  
1 1 1 33 27 35 o 0.852918 0.337238  0.763668     0.850142 1.2212       1.24503  0.363989     1.16366  0.999252 0.403279  0.827111 0.36395   
1 1 1 33 27 36 o 1.66709  0.313793  3.55569      1.00785  3.49565      1.42964  3.61501      1.42101  1.45904  0.447462  1.49564  0.443616  
1 1 1 33 27 37 o 0.890001 0.354722  1.13407      0.947506 1.56466      1.3387   0.70183      1.34125  0.969413 0.407294  0.832065 0.376524  
1 1 1 33 27 38 o 0.76043  0.329061  0.712129     0.920059 1.25633      1.31043  0.18307      1.29208  0.864986 0.382794  0.723968 0.340973  
1 1 1 33 27 39 o 0.486737 0.24334   -1.47263     0.993217 -1.36211     1.38859  -1.58841     1.42122  0.571894 0.285947  0.56447  0.284023  
1 1 1 33 28 0  o 3.64398  0.114183  13.3259      0.830314 13.3259      0.830314 13.3259      0.830314 3.64723  0.0805773 ?        ?         
1 1 1 33 28 1  o 6.47275  0.0714543 41.917       0.925011 41.2808      1.2954   42.5788      1.32131  6.4219   0.100858  6.52205  0.101296  
1 1 1 33 28 2  o 8.69845  0.0759459 75.7057      1.32122  74.9762      1.82422  76.5107      1.91615  8.65421  0.105395  8.74193  0.109595  
1 1 1 33 28 3  o 6.18475  0.0724977 38.2714      0.896761 37.5901      1.2025   39.1252      1.34603  6.12812  0.098113  6.25138  0.107658  
1 1 1 33 28 4  o 9.97569  0.090379  99.5988      1.80319  100.694      2.47487  98.3593      2.63261  10.0268  0.123413  9.90863  0.132844  
1 1 1 33 28 5  o 9.35703  0.0908539 87.6307      1.70024  88.1317      2.37406  87.1031      2.43616  9.37992  0.12655   9.3245   0.130632  
1 1 1 33 28 6  o 1.14811  0.295386  1.38134      0.682054 1.80099      0.929611 0.892036     1.00379  1.31026  0.348564  1.03312  0.375323  
1 1 1 33 28 7  o 2.27815  0.150854  5.2033       0.687334 6.41546      0.959693 3.92671      0.984871 2.52772  0.189834  1.97464  0.249379  
1 1 1 33 28 8  o 5.03459  0.08874   25.3709      0.89354  24.0002      1.22636  26.9221      1.30457  4.8944   0.125282  5.18374  0.125833  
1 1 1 33 28 9  o 14.2827  0.119939  204.371      3.42612  203.089      4.80527  205.697      4.88627  14.225   0.168903  14.3155  0.170664  
1 1 1 33 28 10 o 7.92131  0.0852656 62.8099      1.35083  62.4882      1.95303  63.105       1.87038  7.89664  0.123662  7.93628  0.117837  
1 1 1 33 28 11 o 6.07592  0.0813534 36.9523      0.988594 37.7863      1.42381  36.1759      1.3737   6.14102  0.115926  6.00891  0.114305  
1 1 1 33 28 12 f 1.85225  0.166762  3.44566      0.617772 5.00244      0.882456 1.94944      0.865124 2.22977  0.197881  1.35835  0.322779  
1 1 1 33 28 13 o 8.56183  0.0863096 73.3978      1.47794  73.6299      2.11039  73.1745      2.07042  8.56966  0.123131  8.54347  0.12117   
1 1 1 33 28 14 o 3.29874  0.0927576 10.899       0.611966 10.828       0.844724 10.9776      0.887783 3.28554  0.128552  3.30771  0.134199  
1 1 1 33 28 15 o 6.41495  0.0783038 41.2023      1.00463  40.5177      1.47211  41.7991      1.37444  6.35683  0.115789  6.45791  0.106415  
1 1 1 33 28 16 o 6.6005   0.073637  43.6171      0.972083 44.045       1.36669  43.179       1.38291  6.62918  0.103082  6.56336  0.105351  
1 1 1 33 28 17 o 0.878644 0.270626  0.78622      0.522183 1.01867      0.738171 0.553385     0.738788 1.00717  0.323595  0.84959  0.319836  
1 1 1 33 28 18 o 5.01205  0.0780336 25.1618      0.782216 25.4379      1.0934   24.8723      1.1195   5.03568  0.108565  4.97882  0.112427  
1 1 1 33 28 19 o 1.13486  0.262631  1.36492      0.584763 1.05339      0.814042 1.69707      0.840556 1.02919  0.340145  1.2597   0.329778  
1 1 1 33 28 20 o 0.872733 0.294656  0.735791     0.61087  0.43813      0.830449 1.08676      0.90175  0.843291 0.333348  1.0536   0.358001  
1 1 1 33 28 21 o 0.822364 0.302602  0.5683       0.654306 0.321386     0.936368 0.803904     0.91467  0.849427 0.347146  0.968712 0.357609  
1 1 1 33 28 22 o 3.32115  0.116026  11.0848      0.77068  11.5148      1.09207  10.6583      1.08776  3.37698  0.161693  3.24782  0.16746   
1 1 1 33 28 23 o 1.88247  0.187216  3.59344      0.704856 3.68212      0.95143  3.48556      1.04939  1.89493  0.251046  1.83696  0.285631  
1 1 1 33 28 24 o 1.53943  0.226398  2.43012      0.697047 1.60908      1.01284  3.16891      0.960768 1.22025  0.377117  1.74795  0.274828  
1 1 1 33 28 25 o 3.72225  0.112744  13.9498      0.839326 12.6438      1.20519  15.1796      1.16958  3.52819  0.170794  3.87238  0.151016  
1 1 1 33 28 26 o 4.62367  0.103369  21.5136      0.955891 21.2651      1.35542  21.7595      1.34827  4.58178  0.147914  4.63572  0.145422  
1 1 1 33 28 27 o 3.03001  0.145687  9.3089       0.882868 9.30908      1.21013  9.3087       1.29091  3.01125  0.200934  3.00565  0.214748  
1 1 1 33 28 28 o 0.6363   0.28892   -0.368278    0.797899 0.359127     1.08475  -1.22579     1.17778  0.884458 0.368829  0.676848 0.321419  
1 1 1 33 28 29 o 1.06238  0.348967  1.22339      0.856815 0.292418     1.21817  2.1349       1.20537  0.906675 0.385079  1.35508  0.40993   
1 1 1 33 28 30 o 0.907026 0.335842  0.779933     0.807924 0.521119     1.11439  1.06669      1.17301  0.916412 0.377313  1.05216  0.401029  
1 1 1 33 28 31 o 2.02336  0.223017  4.32722      0.902488 3.06702      1.23265  5.78325      1.32497  1.59014  0.390026  2.2976   0.288338  
1 1 1 33 28 32 o 0.864462 0.334973  0.685061     0.827567 1.34181      1.19326  0.0764255    1.14872  1.08949  0.407199  0.818926 0.360917  
1 1 1 33 28 33 o 1.05724  0.36257   1.3501       0.925035 1.50533      1.35735  1.21548      1.26403  1.1115   0.429348  1.04186  0.411445  
1 1 1 33 28 34 o 0.727939 0.317753  0.165621     0.872481 0.514069     1.22126  -0.197602    1.24689  0.875939 0.379082  0.773715 0.35439   
1 1 1 33 28 35 o 0.588832 0.28063   -0.699697    0.905087 -0.657838    1.30863  -0.738082    1.25314  0.71299  0.338687  0.690663 0.329409  
1 1 1 33 28 36 o 1.49479  0.321356  2.92644      0.93313  2.52439      1.31226  3.33769      1.32716  1.23236  0.430943  1.44819  0.428545  
1 1 1 33 28 37 o 0.874264 0.350118  1.15692      0.928198 0.9053       1.32197  1.40157      1.30357  0.833646 0.375703  0.910552 0.392821  
1 1 1 33 28 38 o 0.706554 0.317086  0.432404     0.932103 1.06894      1.28842  -0.26657     1.35013  0.83112  0.372898  0.683823 0.329894  
1 1 1 33 29 0  o 7.28498  0.0982349 53.1272      1.43069  53.1272      1.43069  53.1272      1.43069  7.28691  0.0694298 ?        ?         
1 1 1 33 29 1  o 4.13168  0.0735394 17.0807      0.607683 17.0346      0.845452 17.1299      0.874047 4.12498  0.102479  4.13637  0.105654  
1 1 1 33 29 2  o 9.53794  0.0791752 91.0339      1.51034  90.4688      2.07207  91.6744      2.2061   9.50543  0.108994  9.56783  0.115287  
1 1 1 33 29 3  o 4.59454  0.0702388 21.1212      0.645431 21.0274      0.864814 21.2392      0.969721 4.58334  0.0943433 4.60581  0.105271  
1 1 1 33 29 4  o 4.60632  0.0773413 21.2323      0.712517 21.8774      1.01218  20.5986      1.00319  4.67427  0.108271  4.53548  0.110593  
1 1 1 33 29 5  o 6.79094  0.0857761 46.1555      1.165    48.2588      1.75823  44.5094      1.55546  6.94048  0.126665  6.66634  0.116665  
1 1 1 33 29 6  o 4.8217   0.0883073 23.2704      0.851583 24.5329      1.20379  22.0057      1.20485  4.94869  0.121627  4.6864   0.128548  
1 1 1 33 29 7  o 3.79896  0.0972809 14.4492      0.739132 14.6718      1.05434  14.2342      1.03647  3.82581  0.137793  3.76834  0.137523  
1 1 1 33 29 8  o 11.0607  0.0974686 122.494      2.15614  122.213      3.0359   122.78       3.06276  11.0411  0.137482  11.0665  0.13838   
1 1 1 33 29 9  f 9.30081  0.0914094 86.6067      1.70036  86.4916      2.4571   86.7126      2.35548  9.28863  0.132264  9.30144  0.126619  
1 1 1 33 29 10 o 7.21391  0.0856827 52.097       1.23621  52.5122      1.82461  51.7446      1.68078  7.23796  0.126044  7.18605  0.116947  
1 1 1 33 29 11 o 4.33166  0.0891757 18.7868      0.772557 19.7807      1.11633  17.8733      1.07025  4.44196  0.125657  4.22227  0.126738  
1 1 1 33 29 12 o 3.04817  0.11146   9.3112       0.679501 9.10057      0.986465 9.50137      0.937335 3.00973  0.163879  3.07626  0.15235   
1 1 1 33 29 13 o 3.44662  0.103315  11.9028      0.712175 11.2835      1.00261  12.5335      1.01178  3.35211  0.149549  3.53352  0.143169  
1 1 1 33 29 14 o 5.40997  0.077944  29.3033      0.843348 29.5036      1.15451  29.0743      1.23489  5.42559  0.106395  5.385    0.11466   
1 1 1 33 29 15 o 10.7445  0.0987089 115.682      2.12115  114.977      2.92196  116.467      3.08412  10.7018  0.136517  10.7688  0.143197  
1 1 1 33 29 16 o 2.67277  0.101888  7.16099      0.544646 6.9295       0.780528 7.38066      0.76036  2.62566  0.148635  2.71055  0.140259  
1 1 1 33 29 17 o 2.84067  0.0998502 8.09048      0.567283 7.78265      0.809248 8.38789      0.795449 2.78209  0.145439  2.88907  0.137665  
1 1 1 33 29 18 o 3.64814  0.0892796 13.3395      0.651409 13.9391      0.91138  12.7133      0.93141  3.72554  0.122315  3.55686  0.130932  
1 1 1 33 29 19 o 0.69667  0.27862   0.258081     0.586675 0.899161     0.803654 -0.473348    0.858419 0.974138 0.337569  0.658872 0.299304  
1 1 1 33 29 20 o 4.39313  0.0904973 19.355       0.795133 20.8932      1.12876  17.8398      1.12026  4.55859  0.123806  4.21059  0.133029  
1 1 1 33 29 21 o 5.95553  0.0902982 35.5717      1.07555  34.6682      1.51289  36.4949      1.52935  5.87039  0.128858  6.02359  0.126946  
1 1 1 33 29 22 o 5.53828  0.0907734 30.7726      1.00546  29.8184      1.39358  31.8087      1.45209  5.44298  0.128017  5.62137  0.129158  
1 1 1 33 29 23 o 2.47009  0.148808  6.16103      0.735138 6.35108      1.01186  5.94858      1.06985  2.49752  0.202573  2.41282  0.2217    
1 1 1 33 29 24 o 2.87625  0.131153  8.34508      0.754458 8.79545      1.08995  7.93078      1.04538  2.94017  0.185354  2.79142  0.187248  
1 1 1 33 29 25 o 4.93128  0.095671  24.4455      0.943561 26.3071      1.36696  22.7514      1.30405  5.10269  0.133945  4.74405  0.137441  
1 1 1 33 29 26 o 1.32836  0.288886  1.92103      0.746065 2.50715      1.0498   1.32293      1.06047  1.49772  0.355354  1.12694  0.388038  
1 1 1 33 29 27 o 1.799    0.226505  3.35451      0.814966 3.48414      1.12149  3.20946      1.18631  1.77733  0.327805  1.68753  0.361943  
1 1 1 33 29 28 o 1.15084  0.329126  1.47606      0.795935 2.04876      1.11427  0.879417     1.13733  1.33571  0.391851  1.01216  0.392591  
1 1 1 33 29 29 o 2.2521   0.193804  5.23867      0.872933 5.47868      1.25071  5.01072      1.21893  2.26659  0.275901  2.16485  0.281528  
1 1 1 33 29 30 f 2.94812  0.153774  8.90243      0.90669  10.529       1.24761  7.08173      1.31996  3.18306  0.195976  2.57628  0.256175  
1 1 1 33 29 31 o 1.34112  0.3206    2.09216      0.849512 2.00403      1.20514  2.1792       1.19768  1.27325  0.413866  1.32381  0.410283  
1 1 1 33 29 32 o 1.58669  0.259266  2.75282      0.822753 3.05686      1.17609  2.4614       1.1514   1.57318  0.377951  1.39623  0.394759  
1 1 1 33 29 33 o 1.30947  0.344404  2.13662      0.914081 1.76596      1.28498  2.51634      1.30058  1.1553   0.424164  1.34955  0.429118  
1 1 1 33 29 34 o 1.07215  0.351708  1.46801      0.870324 1.85991      1.27011  1.1211       1.19497  1.15643  0.421983  0.983744 0.395886  
1 1 1 33 29 35 o 1.1164   0.369958  1.77417      0.962991 1.72354      1.3379   1.82859      1.38719  1.06324  0.422218  1.08222  0.429872  
1 1 1 33 29 36 o 0.659498 0.301176  -0.0492475   0.893073 -0.516465    1.24916  0.43926      1.2773   0.689229 0.328763  0.809793 0.366889  
1 1 1 33 29 37 o 0.812267 0.340694  0.951514     0.934064 1.81508      1.28616  -0.012304    1.35877  0.964324 0.40184   0.713949 0.341108  
1 1 1 33 29 38 o 0.767049 0.336647  0.899161     0.990342 0.743092     1.44864  1.0361       1.35697  0.756314 0.357882  0.786759 0.364076  
1 1 1 33 30 0  o 9.95307  0.117973  99.1849      2.34765  99.1849      2.34765  99.1849      2.34765  9.95611  0.0833811 ?        ?         
1 1 1 33 30 1  o 1.80572  0.130902  3.26709      0.472743 3.30795      0.66187  3.22454      0.675455 1.81527  0.182307  1.792    0.188464  
1 1 1 33 30 2  o 2.6529   0.0920644 7.04488      0.488475 5.86165      0.663154 8.44834      0.722239 2.41841  0.137105  2.90396  0.124354  
1 1 1 33 30 3  o 4.13837  0.0675095 17.1355      0.558759 16.3715      0.769787 17.9862      0.812339 4.04398  0.095177  4.23867  0.0958246 
1 1 1 33 30 4  o 9.27417  0.0865039 86.0894      1.6045   85.6336      2.24836  86.5626      2.29045  9.24541  0.121593  9.29519  0.123206  
1 1 1 33 30 5  o 1.93337  0.171895  3.75204      0.664675 4.44547      0.957209 3.10634      0.923672 2.10146  0.227748  1.75472  0.263196  
1 1 1 33 30 6  o 2.68509  0.126924  7.22526      0.681605 7.422        0.934086 7.0012       0.996842 2.71897  0.171772  2.63968  0.188818  
1 1 1 33 30 7  o 3.59838  0.0964179 12.9651      0.693896 13.3933      0.986601 12.546       0.976117 3.65504  0.134965  3.53733  0.137974  
1 1 1 33 30 8  o 5.4422   0.0834934 29.6474      0.908775 29.1803      1.3189   30.0697      1.25396  5.396    0.122211  5.47836  0.114447  
1 1 1 33 30 9  o 8.39865  0.0859113 70.6162      1.44308  70.2673      2.08231  70.9386      2.00172  8.37263  0.124352  8.41338  0.11896   
1 1 1 33 30 10 o 6.12762  0.0847814 37.5915      1.03902  39.1904      1.50401  36.1318      1.43706  6.25283  0.120266  6.00394  0.119676  
1 1 1 33 30 11 o 6.88405  0.0878931 47.4543      1.21012  49.2913      1.71688  45.6406      1.70591  7.01153  0.122433  6.74629  0.126433  
1 1 1 33 30 12 o 5.01167  0.0883589 25.1537      0.885651 24.9785      1.25409  25.3279      1.25092  4.99045  0.125649  5.02537  0.12446   
1 1 1 33 30 13 o 3.16007  0.108878  10.0098      0.688124 10.0023      0.955643 10.018       0.991664 3.15541  0.151429  3.15734  0.157041  
1 1 1 33 30 14 o 2.11512  0.145482  4.49374      0.615424 3.49693      0.92205  5.29458      0.826457 1.85805  0.248123  2.2932   0.180198  
1 1 1 33 30 15 o 6.85293  0.0820405 47.0357      1.12444  46.8965      1.53137  47.1985      1.65636  6.83824  0.111971  6.85861  0.12075   
1 1 1 33 30 16 o 2.13109  0.120781  4.5586       0.514791 4.88762      0.726483 4.22678      0.729576 2.20314  0.164874  2.04761  0.178153  
1 1 1 33 30 17 o 2.5466   0.110914  6.50785      0.564909 7.41212      0.801452 5.61499      0.796375 2.71419  0.147641  2.36015  0.168713  
1 1 1 33 30 18 o 3.38223  0.0956301 11.4716      0.646887 11.8571      0.897824 11.0555      0.932854 3.43439  0.130711  3.3149   0.140706  
1 1 1 33 30 19 f 2.41956  0.128243  5.88688      0.620585 5.19082      0.845525 6.69974      0.913716 2.26487  0.186661  2.57455  0.177452  
1 1 1 33 30 20 o 5.19736  0.0852533 27.0831      0.886184 28.3028      1.28805  25.9868      1.22113  5.30591  0.121379  5.08447  0.120084  
1 1 1 33 30 21 o 4.22695  0.0923732 17.9255      0.780914 17.8616      1.11096  17.9879      1.09791  4.21225  0.131873  4.22754  0.129852  
1 1 1 33 30 22 o 1.92519  0.186901  3.7586       0.719641 3.61481      1.02569  3.898        1.00994  1.87281  0.273838  1.94778  0.259255  
1 1 1 33 30 23 o 3.29978  0.11494   10.9605      0.758554 9.94506      1.10392  11.8688      1.04409  3.12946  0.176375  3.42539  0.152405  
1 1 1 33 30 24 o 1.52614  0.233442  2.39887      0.71253  3.04877      1.01639  1.77079      0.999172 1.6774   0.314576  1.26749  0.370814  
1 1 1 33 30 25 o 4.7571   0.0985812 22.7614      0.937922 22.9916      1.30832  22.518       1.3453   4.76815  0.137194  4.71666  0.142611  
1 1 1 33 30 26 o 2.10888  0.184625  4.54763      0.778702 4.70454      1.09568  4.38748      1.10691  2.12259  0.2581    2.04554  0.270566  
1 1 1 33 30 27 o 1.71606  0.238227  3.07021      0.817626 3.08079      1.11338  3.05783      1.20459  1.65638  0.34722   1.63661  0.375742  
1 1 1 33 30 28 o 1.01807  0.34284   1.09917      0.826991 0.580901     1.21787  1.54263      1.12655  0.963155 0.395143  1.1821   0.400143  
1 1 1 33 30 29 o 2.53812  0.167533  6.60422      0.850435 7.23173      1.18087  5.92807      1.22578  2.63026  0.224479  2.36438  0.259218  
1 1 1 33 30 30 o 2.3148   0.189623  5.57625      0.877878 5.01333      1.21962  6.18147      1.26462  2.14257  0.284616  2.39311  0.26422   
1 1 1 33 30 31 o 1.93012  0.214371  3.9425       0.827521 3.74463      1.15797  4.14902      1.18302  1.79233  0.335453  1.9245   0.307357  
1 1 1 33 30 32 o 2.15515  0.19758   4.92141      0.851626 4.03162      1.23956  5.7169       1.17204  1.82574  0.352032  2.27893  0.257146  
1 1 1 33 30 33 o 0.763727 0.324816  0.337711     0.868862 0.73619      1.25827  -0.0254589   1.20123  0.923162 0.391692  0.786882 0.356189  
1 1 1 33 30 34 o 1.48335  0.303443  2.70066      0.869158 3.68516      1.26516  1.82071      1.19609  1.63958  0.390802  1.12699  0.409673  
1 1 1 33 30 35 o 0.862631 0.359247  0.86182      1.027    1.24711      1.3736   0.373433     1.54651  0.957715 0.407896  0.849223 0.391333  
1 1 1 33 30 36 o 0.946448 0.355183  1.39172      0.909708 0.747542     1.26927  2.07215      1.30449  0.81819  0.368471  1.05286  0.417286  
1 1 1 33 30 37 o 0.700141 0.316944  0.348698     0.951241 -0.90271     1.33759  1.62923      1.35306  0.635256 0.311228  0.925624 0.399777  
1 1 1 33 31 0  o 3.58479  0.112077  12.8988      0.801764 12.8988      0.801764 12.8988      0.801764 3.58815  0.0790874 ?        ?         
1 1 1 33 31 1  o 5.97893  0.066687  35.7683      0.797434 36.4762      1.15417  35.1218      1.10305  6.03595  0.0956079 5.92301  0.0931157 
1 1 1 33 31 2  o 3.45499  0.0755669 11.946       0.522166 12.1651      0.733991 11.7213      0.742999 3.4853   0.105298  3.42098  0.108595  
1 1 1 33 31 3  o 9.22528  0.0809704 85.1812      1.49395  85.8661      2.15753  84.5504      2.07067  9.25791  0.116524  9.18725  0.112693  
1 1 1 33 31 4  o 8.44234  0.0834342 71.3414      1.40876  71.4277      2.02193  71.2601      1.96391  8.44314  0.119738  8.43368  0.116433  
1 1 1 33 31 5  o 5.58078  0.0853171 31.1771      0.952271 30.3831      1.40301  31.8553      1.2967   5.50576  0.127413  5.63877  0.11498   
1 1 1 33 31 6  o 4.39263  0.0907776 19.3183      0.797505 19.5031      1.12277  19.1301      1.13298  4.41101  0.12727   4.36843  0.129678  
1 1 1 33 31 7  o 5.9969   0.0835533 36.0006      1.00212  37.8131      1.4457   34.3242      1.39035  6.14278  0.117674  5.85241  0.118785  
1 1 1 33 31 8  o 3.32908  0.1048    11.102       0.697772 12.3641      1.01993  9.99159      0.956702 3.51035  0.145274  3.15516  0.151609  
1 1 1 33 31 9  o 5.88293  0.0849402 34.6509      0.999394 34.161       1.4106   35.1445      1.41613  5.83753  0.120822  5.92111  0.119583  
1 1 1 33 31 10 o 4.84155  0.0848667 23.4709      0.821772 23.3316      1.14962  23.6164      1.17512  4.82411  0.119154  4.85327  0.121065  
1 1 1 33 31 11 o 2.75968  0.120254  7.63692      0.663726 7.97373      0.931522 7.28959      0.945945 2.81642  0.165373  2.69199  0.175696  
1 1 1 33 31 12 o 6.43288  0.087108  41.4454      1.12071  41.8402      1.54102  41.0022      1.63281  6.45915  0.119289  6.3928   0.127707  
1 1 1 33 31 13 o 2.91833  0.113639  8.54         0.66327  8.23345      0.937059 8.8478       0.938955 2.86134  0.163745  2.96671  0.158248  
1 1 1 33 31 14 o 0.847606 0.295189  0.658896     0.615184 0.997681     0.87844  0.332822     0.861802 1.02681  0.353205  0.831583 0.335558  
1 1 1 33 31 15 o 2.14822  0.12794   4.63414      0.549689 4.16153      0.724208 5.27646      0.84429  2.0318   0.178219  2.28717  0.184571  
1 1 1 33 31 16 o 2.79577  0.0990904 7.83792      0.554067 9.12596      0.823709 6.77357      0.748779 3.01307  0.136689  2.59507  0.144269  
1 1 1 33 31 17 o 2.21139  0.127259  4.91426      0.562841 5.98318      0.805846 3.89614      0.786462 2.43599  0.165404  1.96198  0.200426  
1 1 1 33 31 18 o 1.55203  0.179436  2.43439      0.556981 2.03424      0.786549 2.83687      0.788835 1.38137  0.293532  1.66879  0.23635   
1 1 1 33 31 19 f 2.58092  0.122869  6.69741      0.634231 6.74772      0.87081  6.64056      0.925569 2.58437  0.168476  2.56181  0.180647  
1 1 1 33 31 20 o 2.44792  0.132909  6.03148      0.650703 5.25886      0.922827 6.79548      0.91766  2.27586  0.202742  2.59173  0.177037  
1 1 1 33 31 21 o 1.02502  0.290397  1.11613      0.622466 0.7752       0.908688 1.41754      0.854416 0.956739 0.355786  1.15371  0.344353  
1 1 1 33 31 22 o 3.47713  0.111347  12.1618      0.774337 11.7139      1.1197   12.5724      1.07201  3.40076  0.164625  3.52648  0.151994  
1 1 1 33 31 23 o 2.20367  0.157543  4.91868      0.694345 5.38537      1.0099   4.50029      0.956208 2.2919   0.220318  2.0932   0.228409  
1 1 1 33 31 24 o 1.08525  0.325078  1.27191      0.760526 0.69641      1.04619  1.91686      1.10752  0.95976  0.375653  1.31226  0.392131  
1 1 1 33 31 25 o 3.32791  0.122604  11.1797      0.816027 10.782       1.13851  11.5997      1.17021  3.25209  0.175043  3.37375  0.173429  
1 1 1 33 31 26 o 4.00478  0.115726  16.1932      0.926916 16.0997      1.26844  16.3003      1.35784  3.97622  0.159503  3.99609  0.169896  
1 1 1 33 31 27 o 0.91343  0.338968  0.765115     0.823948 0.574175     1.14739  0.968412     1.18394  0.94572  0.385019  1.04236  0.401329  
1 1 1 33 31 28 o 2.60259  0.173018  6.95094      0.900589 6.86714      1.31021  7.026        1.23994  2.54805  0.257101  2.58661  0.239685  
1 1 1 33 31 29 o 1.09097  0.343685  1.35185      0.835855 0.996981     1.18285  1.70578      1.1813   1.0286   0.400082  1.2101   0.409753  
1 1 1 33 31 30 o 3.48889  0.132186  12.4312      0.922368 13.1606      1.31155  11.7175      1.29742  3.55528  0.18445   3.34784  0.193769  
1 1 1 33 31 31 o 1.0277   0.34066   1.2263       0.816504 1.75544      1.18331  0.745391     1.12809  1.18966  0.409869  0.93624  0.381564  
1 1 1 33 31 32 o 1.38494  0.307144  2.2814       0.828274 2.73935      1.15994  1.80497      1.18311  1.44996  0.391014  1.17293  0.409282  
1 1 1 33 31 33 o 0.643664 0.292083  -0.169539    0.812699 -0.31368     1.1441   -0.0227358   1.15463  0.727978 0.335891  0.771526 0.349227  
1 1 1 33 31 34 o 0.979833 0.354814  1.28133      0.896453 1.23386      1.18929  1.34379      1.36418  0.968317 0.392763  0.995791 0.414331  
1 1 1 33 31 35 o 0.806921 0.341396  0.667965     0.951421 2.25269      1.28709  -1.24116     1.41269  1.16304  0.424754  0.664671 0.324346  
1 1 1 33 31 36 o 1.09453  0.368304  1.9854       0.9544   2.84139      1.36616  1.16939      1.33387  1.17875  0.436664  0.864224 0.383851  
1 1 1 33 31 37 o 0.687874 0.315514  0.293287     0.992183 1.59347      1.42277  -0.937616    1.38434  0.893092 0.396584  0.630944 0.310766  
1 1 1 33 32 0  o 0.442312 0.291614  -0.0744758   0.634844 -0.0744758   0.634844 -0.0744758   0.634844 0.366777 0.243092  ?        ?         
1 1 1 33 32 1  o 3.04412  0.082818  9.27574      0.504215 9.66501      0.700355 8.85686      0.726499 3.10602  0.112742  2.97286  0.122189  
1 1 1 33 32 2  o 1.55757  0.143164  2.4332       0.445977 2.69117      0.625538 2.16651      0.636007 1.63614  0.191162  1.46691  0.216784  
1 1 1 33 32 3  o 5.96408  0.0675399 35.594       0.805628 35.8496      1.12089  35.3209      1.15871  5.98359  0.0936634 5.93898  0.0975517 
1 1 1 33 32 4  o 3.09764  0.10878   9.61226      0.673923 8.8077       0.937345 10.4732      0.969614 2.96221  0.158217  3.23076  0.15006   
1 1 1 33 32 5  o 4.90418  0.0877204 24.0793      0.860393 24.7639      1.21761  23.3965      1.21595  4.97057  0.122482  4.83108  0.125847  
1 1 1 33 32 6  o 3.3181   0.103478  11.0285      0.686703 9.94907      0.954039 12.1891      0.989206 3.14842  0.151511  3.48566  0.141897  
1 1 1 33 32 7  o 1.80532  0.171604  3.27519      0.619603 3.3591       0.862567 3.18573      0.890608 1.82424  0.236418  1.7755   0.250804  
1 1 1 33 32 8  o 3.40682  0.101056  11.6273      0.688557 11.2922      0.967716 11.9708      0.979932 3.35422  0.144253  3.45374  0.141865  
1 1 1 33 32 9  o 1.62183  0.18991   2.64789      0.616002 3.26598      0.864304 2.0098       0.87818  1.79759  0.240407  1.37736  0.323874  
1 1 1 33 32 10 o 5.47569  0.0817873 30.0226      0.895683 28.9556      1.24391  31.1715      1.29076  5.37398  0.115735  5.57582  0.115746  
1 1 1 33 32 11 f 5.38021  0.0840014 28.9885      0.903891 29.0023      1.28645  28.9751      1.2703   5.37755  0.119613  5.37521  0.118162  
1 1 1 33 32 12 o 2.20075  0.146293  4.86561      0.643907 4.51479      0.923226 5.19791      0.898521 2.11406  0.218353  2.27042  0.197876  
1 1 1 33 32 13 o 5.66263  0.0876261 32.1226      0.992388 33.6581      1.38368  30.4962      1.42409  5.79197  0.119448  5.51166  0.129189  
1 1 1 33 32 14 o 5.48693  0.0874537 30.1653      0.959705 30.4093      1.30563  29.8786      1.41546  5.50461  0.118594  5.45445  0.129753  
1 1 1 33 32 15 o 1.18775  0.271003  1.49541      0.629793 1.55088      0.874874 1.43574      0.907337 1.2093   0.344812  1.17195  0.355885  
1 1 1 33 32 16 o 3.15277  0.0901979 9.96428      0.568747 11.023       0.808098 8.92511      0.800613 3.31271  0.121969  2.97945  0.134356  
1 1 1 33 32 17 o 3.42401  0.0943558 11.7577      0.64615  13.0385      0.913345 10.4745      0.914245 3.60136  0.126805  3.22578  0.141709  
1 1 1 33 32 18 o 1.42243  0.197287  2.05177      0.561255 2.20265      0.791208 1.89895      0.796284 1.43987  0.284885  1.33048  0.305519  
1 1 1 33 32 19 o 2.01982  0.157608  4.11619      0.636681 3.88764      0.893748 4.35168      0.90721  1.9532   0.228791  2.06805  0.21934   
1 1 1 33 32 20 o 2.74612  0.120927  7.58489      0.664159 7.39956      0.949407 7.7625       0.929437 2.7037   0.175576  2.77068  0.167727  
1 1 1 33 32 21 o 0.868016 0.29749   0.727469     0.622676 0.257793     0.871384 1.21755      0.890109 0.807434 0.333248  1.08653  0.355683  
1 1 1 33 32 22 o 1.18861  0.269019  1.51902      0.624698 1.28418      0.879677 1.75794      0.887285 1.1031   0.353135  1.26679  0.342148  
1 1 1 33 32 23 o 2.67303  0.142974  7.22813      0.764346 7.08079      1.07716  7.37757      1.08478  2.62966  0.20481   2.68506  0.202003  
1 1 1 33 32 24 o 2.29655  0.169046  5.36567      0.776448 5.78106      1.08506  4.92976      1.11154  2.3667   0.229236  2.1774   0.255245  
1 1 1 33 32 25 o 1.90869  0.189953  3.73163      0.725121 3.90644      1.02793  3.55847      1.02304  1.93089  0.266179  1.83904  0.278145  
1 1 1 33 32 26 o 1.33421  0.309034  1.97494      0.809097 1.96214      1.09328  1.99044      1.20305  1.31061  0.389188  1.31739  0.411789  
1 1 1 33 32 27 o 0.615169 0.28096   -0.429327    0.777408 -1.66817     1.12271  0.711815     1.07753  0.60921  0.295253  0.956596 0.379214  
1 1 1 33 32 28 o 0.904702 0.338746  0.757602     0.826529 0.204429     1.14716  1.35476      1.1919   0.863009 0.370319  1.12754  0.409044  
1 1 1 33 32 29 o 1.78092  0.226316  3.35519      0.806098 3.6894       1.1512   3.03368      1.12911  1.79118  0.33379   1.60261  0.36095   
1 1 1 33 32 30 o 1.12185  0.333619  1.47572      0.802973 1.43011      1.12523  1.52304      1.14621  1.10978  0.397948  1.13542  0.402188  
1 1 1 33 32 31 f 1.72407  0.243085  3.23716      0.83819  2.97245      1.17868  3.50798      1.1922   1.53534  0.384361  1.69171  0.36284   
1 1 1 33 32 32 o 0.687752 0.303758  0.0376624    0.819647 -0.386227    1.13718  0.495979     1.18246  0.72039  0.333335  0.867545 0.374197  
1 1 1 33 32 33 o 1.32696  0.319682  2.207        0.83961  3.17352      1.14986  1.10313      1.22885  1.54074  0.375955  0.969544 0.397201  
1 1 1 33 32 34 o 0.61334  0.288774  -0.48027     0.925257 -0.704525    1.2752   -0.230949    1.34458  0.685525 0.328226  0.74946  0.351673  
1 1 1 33 32 35 o 0.9173   0.362119  1.23559      0.978779 1.39027      1.39008  1.08349      1.3784   0.941852 0.405978  0.893648 0.394405  
1 1 1 33 32 36 o 1.31759  0.386935  2.95638      1.08595  1.54205      1.50881  4.47644      1.5642   0.896278 0.402793  1.44497  0.471506  
1 1 1 33 32 37 o 0.599206 0.287779  -0.173931    0.999335 -0.0507107   1.42686  -0.292568    1.40007  0.662834 0.323966  0.642766 0.316014  
1 1 1 33 33 0  o 9.84299  0.156469  97.1424      3.07849  97.1424      3.07849  97.1424      3.07849  9.84949  0.110536  ?        ?         
1 1 1 33 33 1  o 7.86877  0.1005    61.9966      1.58104  61.9966      1.58104  61.9966      1.58104  7.87126  0.0710283 ?        ?         
1 1 1 33 33 2  o 5.68546  0.0928084 32.3722      1.05468  32.3722      1.05468  32.3722      1.05468  5.68755  0.0655815 ?        ?         
1 1 1 33 33 3  f 5.42575  0.092856  29.485       1.00696  29.485       1.00696  29.485       1.00696  5.42788  0.0656117 ?        ?         
1 1 1 33 33 4  o 12.9594  0.148943  168.32       3.85929  168.32       3.85929  168.32       3.85929  12.9666  0.105245  ?        ?         
1 1 1 33 33 5  o 4.36887  0.129762  19.1648      1.13156  19.1648      1.13156  19.1648      1.13156  4.37331  0.0915698 ?        ?         
1 1 1 33 33 6  o 5.5409   0.112318  30.7736      1.24353  30.7736      1.24353  30.7736      1.24353  5.54415  0.0793371 ?        ?         
1 1 1 33 33 7  o 1.06396  0.419059  1.57571      0.85254  1.57571      0.85254  1.57571      0.85254  1.14908  0.304366  ?        ?         
1 1 1 33 33 8  o 5.89599  0.11476   34.8463      1.35209  34.8463      1.35209  34.8463      1.35209  5.89954  0.0810638 ?        ?         
1 1 1 33 33 9  o 0.763526 0.411987  0.854379     0.863345 0.854379     0.863345 0.854379     0.863345 0.757901 0.358384  ?        ?         
1 1 1 33 33 10 o 2.70524  0.17233   7.4293       0.923712 7.4293       0.923712 7.4293       0.923712 2.71561  0.120805  ?        ?         
1 1 1 33 33 11 o 0.920452 0.426939  1.26086      0.863829 1.26086      0.863829 1.26086      0.863829 0.974929 0.34519   ?        ?         
1 1 1 33 33 12 o 0.401832 0.283484  -0.820703    0.841664 -0.820703    0.841664 -0.820703    0.841664 0.30882  0.222311  ?        ?         
1 1 1 33 33 13 o 1.43508  0.3622    2.43993      0.897815 2.43993      0.897815 2.43993      0.897815 1.51021  0.225191  ?        ?         
1 1 1 33 33 14 o 2.24302  0.203448  5.18244      0.895409 5.18244      0.895409 5.18244      0.895409 2.26026  0.141328  ?        ?         
1 1 1 33 33 15 o 0.918266 0.439451  1.27471      0.920634 1.27471      0.920634 1.27471      0.920634 0.966486 0.362248  ?        ?         
1 1 1 33 33 16 f 0.343286 0.243114  -0.66133     0.63532  -0.66133     0.63532  -0.66133     0.63532  0.263251 0.190002  ?        ?         
1 1 1 33 33 17 o 0.535098 0.338866  0.161534     0.760881 0.161534     0.760881 0.161534     0.760881 0.46502  0.290529  ?        ?         
1 1 1 33 33 18 o 5.2969   0.123349  28.1788      1.30513  28.1788      1.30513  28.1788      1.30513  5.30261  0.0870732 ?        ?         
1 1 1 33 33 19 o 3.78209  0.133284  14.4071      1.00534  14.4071      1.00534  14.4071      1.00534  3.78891  0.0939419 ?        ?         
1 1 1 33 33 20 o 0.552802 0.353552  0.137049     0.846451 0.137049     0.846451 0.137049     0.846451 0.477764 0.301606  ?        ?         
1 1 1 33 33 21 f 0.392723 0.279666  -0.980119    0.873787 -0.980119    0.873787 -0.980119    0.873787 0.300478 0.217547  ?        ?         
1 1 1 33 33 22 o 1.02051  0.445261  1.55258      0.936945 1.55258      0.936945 1.55258      0.936945 1.10311  0.343616  ?        ?         
1 1 1 33 33 23 o 0.644525 0.400322  0.391937     1.00631  0.391937     1.00631  0.391937     1.00631  0.579149 0.348267  ?        ?         
1 1 1 33 33 24 o 2.04453  0.269548  4.48444      1.0594   4.48444      1.0594   4.48444      1.0594   2.08308  0.183061  ?        ?         
1 1 1 33 33 25 o 0.692846 0.418407  0.59083      1.03695  0.59083      1.03695  0.59083      1.03695  0.643101 0.36759   ?        ?         
1 1 1 33 33 26 o 0.58476  0.390057  -0.155928    1.19106  -0.155928    1.19106  -0.155928    1.19106  0.488649 0.32646   ?        ?         
1 1 1 33 33 27 f 2.96061  0.198477  9.03112      1.1631   9.03112      1.1631   9.03112      1.1631   2.98323  0.138524  ?        ?         
1 1 1 33 33 28 o 1.07257  0.504478  1.87868      1.20802  1.87868      1.20802  1.87868      1.20802  1.16979  0.405459  ?        ?         
1 1 1 33 33 29 o 0.726394 0.436553  0.749841     1.11677  0.749841     1.11677  0.749841     1.11677  0.691611 0.386643  ?        ?         
1 1 1 33 33 30 o 1.14535  0.49046   2.0886       1.14056  2.0886       1.14056  2.0886       1.14056  1.27475  0.365297  ?        ?         
1 1 1 33 33 31 o 1.30853  0.478817  2.55725      1.15215  2.55725      1.15215  2.55725      1.15215  1.46286  0.318038  ?        ?         
1 1 1 33 33 32 o 0.455658 0.322795  -0.901648    1.12235  -0.901648    1.12235  -0.901648    1.12235  0.362335 0.259896  ?        ?         
1 1 1 33 33 33 o 0.557992 0.376421  -0.0318759   1.17434  -0.0318759   1.17434  -0.0318759   1.17434  0.482017 0.322566  ?        ?         
1 1 1 33 33 34 o 0.95714  0.515218  1.9509       1.34755  1.9509       1.34755  1.9509       1.34755  1.07854  0.446594  ?        ?         
1 1 1 33 33 35 o 0.573687 0.392952  0.120968     1.35962  0.120968     1.35962  0.120968     1.35962  0.514209 0.344944  ?        ?         
1 1 1 33 33 36 o 0.859991 0.514457  2.00339      1.53926  2.00339      1.53926  2.00339      1.53926  0.975244 0.476505  ?        ?         
1 1 1 34 0  0  o 5.18138  0.115342  26.8892      1.19393  26.8892      1.19393  26.8892      1.19393  5.18343  0.0814811 ?        ?         
1 1 1 34 0  1  o 21.0834  0.208983  444.783      8.81019  444.783      8.81019  444.783      8.81019  21.0866  0.147734  ?        ?         
1 1 1 34 0  2  o 40.1906  0.402392  1617.68      32.3375  1617.68      32.3375  1617.68      32.3375  40.2053  0.284398  ?        ?         
1 1 1 34 0  3  o 27.6118  0.291882  763.142      16.1147  763.142      16.1147  763.142      16.1147  27.6183  0.206317  ?        ?         
1 1 1 34 0  4  o 21.1973  0.231799  449.664      9.82439  449.664      9.82439  449.664      9.82439  21.2013  0.163854  ?        ?         
1 1 1 34 0  5  o 5.63196  0.0794796 31.7394      0.894849 31.7394      0.894849 31.7394      0.894849 5.63286  0.0561789 ?        ?         
1 1 1 34 0  6  f 55.4182  0.554893  3079.12      61.4885  3079.12      61.4885  3079.12      61.4885  55.4533  0.392076  ?        ?         
1 1 1 34 0  7  o 13.3407  0.140601  178.06       3.75051  178.06       3.75051  178.06       3.75051  13.3423  0.0993959 ?        ?         
1 1 1 34 0  8  o 1.06609  0.301948  1.37876      0.557009 1.37876      0.557009 1.37876      0.557009 1.12899  0.190795  ?        ?         
1 1 1 34 0  9  o 3.69199  0.0957501 13.6593      0.705942 13.6593      0.705942 13.6593      0.705942 3.69392  0.0676184 ?        ?         
1 1 1 34 0  10 o 8.52569  0.103269  72.7264      1.76029  72.7264      1.76029  72.7264      1.76029  8.52683  0.0730002 ?        ?         
1 1 1 34 0  11 o 1.0508   0.342344  1.40613      0.634637 1.40613      0.634637 1.40613      0.634637 1.12406  0.225148  ?        ?         
1 1 1 34 0  12 o 0.537667 0.335434  0.20639      0.713976 0.20639      0.713976 0.20639      0.713976 0.471703 0.288191  ?        ?         
1 1 1 34 0  13 o 6.37112  0.104493  40.6287      1.33066  40.6287      1.33066  40.6287      1.33066  6.37259  0.0738481 ?        ?         
1 1 1 34 0  14 o 22.1087  0.232734  489.264      10.2883  489.264      10.2883  489.264      10.2883  22.114   0.164507  ?        ?         
1 1 1 34 0  15 o 1.71056  0.279093  3.15323      0.878109 3.15323      0.878109 3.15323      0.878109 1.74743  0.1822    ?        ?         
1 1 1 34 0  16 o 7.49669  0.112364  56.2485      1.68386  56.2485      1.68386  56.2485      1.68386  7.49829  0.0794159 ?        ?         
1 1 1 34 0  17 o 1.58121  0.366284  2.87159      1.00648  2.87159      1.00648  2.87159      1.00648  1.64942  0.225037  ?        ?         
1 1 1 34 0  18 o 3.3783   0.166456  11.5022      1.11845  11.5022      1.11845  11.5022      1.11845  3.38495  0.117139  ?        ?         
1 1 1 34 0  19 o 0.678781 0.412539  0.453259     1.02258  0.453259     1.02258  0.453259     1.02258  0.611434 0.358475  ?        ?         
1 1 1 34 0  20 o 15.4707  0.167203  239.618      5.17213  239.618      5.17213  239.618      5.17213  15.4751  0.118181  ?        ?         
1 1 1 34 0  21 o 3.75589  0.145372  14.1801      1.08828  14.1801      1.08828  14.1801      1.08828  3.76079  0.102482  ?        ?         
1 1 1 34 0  22 o 7.644    0.116463  58.5046      1.77956  58.5046      1.77956  58.5046      1.77956  7.64641  0.0823043 ?        ?         
1 1 1 34 0  23 o 0.581774 0.37825   -0.00347689  1.02388  -0.00347689  1.02388  -0.00347689  1.02388  0.489612 0.318225  ?        ?         
1 1 1 34 0  24 o 1.37258  0.451855  2.42544      1.09703  2.42544      1.09703  2.42544      1.09703  1.47264  0.297399  ?        ?         
1 1 1 34 0  25 o 0.4596   0.323893  -1.05388     1.09304  -1.05388     1.09304  -1.05388     1.09304  0.353427 0.254177  ?        ?         
1 1 1 34 0  26 o 0.742518 0.437604  0.674446     1.08648  0.674446     1.08648  0.674446     1.08648  0.690697 0.38329   ?        ?         
1 1 1 34 0  27 o 1.83844  0.356606  3.77207      1.16797  3.77207      1.16797  3.77207      1.16797  1.89894  0.224579  ?        ?         
1 1 1 34 0  28 o 4.27907  0.159483  18.4397      1.36057  18.4397      1.36057  18.4397      1.36057  4.28665  0.112392  ?        ?         
1 1 1 34 0  29 o 3.92218  0.198728  15.5853      1.54977  15.5853      1.54977  15.5853      1.54977  3.93515  0.139637  ?        ?         
1 1 1 34 0  30 o 4.87643  0.159807  23.9521      1.55478  23.9521      1.55478  23.9521      1.55478  4.88524  0.112658  ?        ?         
1 1 1 34 0  31 o 3.19054  0.208227  10.3868      1.31573  10.3868      1.31573  10.3868      1.31573  3.20687  0.145743  ?        ?         
1 1 1 34 0  32 o 0.786434 0.459398  0.824783     1.18066  0.824783     1.18066  0.824783     1.18066  0.744491 0.404143  ?        ?         
1 1 1 34 0  33 o 0.776148 0.45545   0.807837     1.16884  0.807837     1.16884  0.807837     1.16884  0.734893 0.401199  ?        ?         
1 1 1 34 0  34 o 3.52212  0.198005  12.6601      1.38472  12.6601      1.38472  12.6601      1.38472  3.54026  0.138771  ?        ?         
1 1 1 34 0  35 o 0.760319 0.460861  0.702999     1.26858  0.702999     1.26858  0.702999     1.26858  0.703905 0.405047  ?        ?         
1 1 1 34 0  36 o 1.18151  0.530675  2.18942      1.33089  2.18942      1.33089  2.18942      1.33089  1.2896   0.41479   ?        ?         
1 1 1 34 0  37 o 2.07159  0.367426  4.88386      1.37924  4.88386      1.37924  4.88386      1.37924  2.14928  0.233149  ?        ?         
1 1 1 34 0  38 o 2.7384   0.287495  8.05789      1.53484  8.05789      1.53484  8.05789      1.53484  2.79027  0.196724  ?        ?         
1 1 1 34 0  39 o 2.48452  0.319607  6.8436       1.5292   6.8436       1.5292   6.8436       1.5292   2.55346  0.215253  ?        ?         
1 1 1 34 0  40 o 0.685851 0.445142  0.391645     1.41069  0.391645     1.41069  0.391645     1.41069  0.615741 0.389017  ?        ?         
1 1 1 34 0  41 o 0.858342 0.506445  1.37594      1.45802  1.37594      1.45802  1.37594      1.45802  0.874454 0.456202  ?        ?         
1 1 1 34 0  42 o 0.516531 0.367347  -0.986053    1.49346  -0.986053    1.49346  -0.986053    1.49346  0.422453 0.302292  ?        ?         
1 1 1 34 0  43 o 1.21401  0.594211  3.38033      1.69375  3.38033      1.69375  3.38033      1.69375  1.49633  0.458886  ?        ?         
1 1 1 34 0  44 o 0.645877 0.44412   0.493661     1.77332  0.493661     1.77332  0.493661     1.77332  0.604364 0.402403  ?        ?         
1 1 1 34 1  0  o 41.6445  0.416606  1737         34.6909  1737         34.6909  1737         34.6909  41.6606  0.294437  ?        ?         
1 1 1 34 1  1  o 13.9922  0.101477  195.812      2.83979  195.851      3.9695   195.771      4.06431  13.9926  0.141843  13.9896  0.145262  
1 1 1 34 1  2  f 30.1718  0.213941  910.951      12.91    915.275      18.3423  906.705      18.1738  30.2326  0.303353  30.0909  0.301981  
1 1 1 34 1  3  o 9.83855  0.0785956 96.8058      1.54653  96.4602      2.18179  97.1548      2.1925   9.8205   0.111083  9.8558   0.111229  
1 1 1 34 1  4  o 6.02429  0.0597898 36.294       0.720382 35.6272      0.98941  37.0464      1.05092  5.96854  0.0828854 6.08623  0.0863358 
1 1 1 34 1  5  o 19.0988  0.132866  364.859      5.07516  367.369      7.14788  362.306      7.20721  19.1618  0.186514  19.0292  0.189373  
1 1 1 34 1  6  o 20.7768  0.149091  431.82       6.19529  430.473      8.73456  433.183      8.78863  20.7408  0.210565  20.806   0.211205  
1 1 1 34 1  7  o 19.4853  0.138922  379.785      5.41385  379.517      7.39933  380.094      7.94214  19.4758  0.189962  19.4898  0.203751  
1 1 1 34 1  8  o 12.9708  0.0953802 168.265      2.47431  165.654      3.37739  171.29       3.63522  12.8689  0.131223  13.0857  0.1389    
1 1 1 34 1  9  o 25.4708  0.175948  649.11       8.96305  647.191      12.5028  651.139      12.8559  25.4264  0.245863  25.5032  0.252045  
1 1 1 34 1  10 o 9.5795   0.0797119 91.7779      1.5272   90.6373      2.07152  93.136       2.2604   9.51928  0.108806  9.64943  0.117126  
1 1 1 34 1  11 o 10.1884  0.0799838 103.816      1.62981  103.266      2.32562  104.348      2.28472  10.1606  0.114443  10.2138  0.111845  
1 1 1 34 1  12 o 11.8896  0.0902761 141.388      2.1467   138.905      3.10157  143.671      2.97421  11.7836  0.131605  11.9843  0.124088  
1 1 1 34 1  13 o 11.0134  0.0983268 121.322      2.16583  119.817      2.96144  123.051      3.17566  10.9439  0.135301  11.0903  0.143173  
1 1 1 34 1  14 o 12.5854  0.105099  158.434      2.64543  159.666      3.86131  157.344      3.63164  12.6323  0.152835  12.5405  0.144797  
1 1 1 34 1  15 f 8.48612  0.0789183 72.0264      1.33942  71.783       1.93868  72.2487      1.8527   8.47098  0.114431  8.49855  0.109001  
1 1 1 34 1  16 o 3.12542  0.118242  9.77236      0.739115 10.4757      1.04022  9.05524      1.05039  3.23535  0.160758  3.00781  0.17461   
1 1 1 34 1  17 o 4.71482  0.0992495 22.2372      0.935887 21.0582      1.28306  23.5778      1.36812  4.58734  0.139848  4.854    0.140928  
1 1 1 34 1  18 o 4.30304  0.0987508 18.5241      0.849857 18.9105      1.1822   18.1108      1.22258  4.34683  0.135984  4.25372  0.143707  
1 1 1 34 1  19 o 6.654    0.0832627 44.2915      1.10806  43.0598      1.57881  45.4872      1.55551  6.55956  0.120345  6.74211  0.115358  
1 1 1 34 1  20 o 11.9938  0.100185  143.939      2.4032   143.57       3.43483  144.292      3.36355  11.9747  0.143421  12.0051  0.140089  
1 1 1 34 1  21 o 5.23179  0.0857213 27.386       0.896953 26.9982      1.24613  27.8029      1.29208  5.19328  0.119975  5.26999  0.122589  
1 1 1 34 1  22 o 7.14024  0.0826003 51.0141      1.17957  52.4004      1.71544  49.7708      1.6246   7.23426  0.118563  7.05066  0.115209  
1 1 1 34 1  23 o 5.05521  0.096593  25.5811      0.976595 24.3072      1.40433  26.774       1.35901  4.9248   0.142578  5.16951  0.131445  
1 1 1 34 1  24 o 7.68004  0.0874859 59.0409      1.34379  60.2707      1.87929  57.7541      1.92225  7.75612  0.121149  7.59181  0.126601  
1 1 1 34 1  25 o 4.63651  0.100475  21.5296      0.931708 23.2916      1.30955  19.7233      1.32587  4.81945  0.135861  4.43365  0.149524  
1 1 1 34 1  26 o 1.82066  0.2116    3.34114      0.7705   3.01483      1.10734  3.6474       1.07279  1.69044  0.339482  1.89633  0.282859  
1 1 1 34 1  27 o 1.39572  0.296562  2.05687      0.802914 1.75366      1.08709  2.42082      1.19099  1.2961   0.388739  1.50469  0.391914  
1 1 1 34 1  28 o 2.48061  0.173685  6.1975       0.861691 7.09995      1.2545   5.3914       1.18564  2.64701  0.236966  2.30392  0.257309  
1 1 1 34 1  29 o 7.11262  0.103528  50.7439      1.47271  52.451       2.14572  49.2237      2.02496  7.21979  0.1486    6.99526  0.144738  
1 1 1 34 1  30 o 1.32667  0.320709  1.88945      0.842783 2.02314      1.2011   1.7598       1.18286  1.37217  0.408021  1.29298  0.409047  
1 1 1 34 1  31 o 6.44734  0.106285  41.7361      1.37051  41.1983      1.93543  42.2771      1.94097  6.39218  0.151391  6.47586  0.149862  
1 1 1 34 1  32 o 3.21699  0.142533  10.4332      0.917053 8.73131      1.25235  12.4009      1.34659  2.92796  0.21386   3.4954   0.192623  
1 1 1 34 1  33 o 3.03971  0.14651   9.33978      0.890694 11.3909      1.29985  7.52423      1.22293  3.34343  0.194388  2.70856  0.225754  
1 1 1 34 1  34 o 2.85257  0.160639  8.25924      0.916469 8.41412      1.2916   8.1022       1.30061  2.85851  0.225922  2.80281  0.232019  
1 1 1 34 1  35 o 2.23073  0.209072  5.1195       0.932762 5.64011      1.33136  4.6176       1.30722  2.31234  0.287882  2.08205  0.313925  
1 1 1 34 1  36 o 2.61851  0.187328  7.03878      0.981038 5.80848      1.3873   8.26944      1.3875   2.33317  0.297299  2.8115   0.246754  
1 1 1 34 1  37 o 2.74805  0.179091  7.7643       0.984303 8.08127      1.40159  7.45584      1.38264  2.76603  0.253357  2.65275  0.260605  
1 1 1 34 1  38 o 2.71105  0.196955  7.66557      1.06791  7.56316      1.49487  7.77231      1.52612  2.63484  0.283675  2.66932  0.285862  
1 1 1 34 1  39 f 1.13427  0.381581  1.53777      1.02445  0.69803      1.4449   2.38663      1.45273  0.991283 0.420122  1.3511   0.454395  
1 1 1 34 1  40 o 0.586276 0.282522  -1.12868     0.983517 -1.15609     1.39249  -1.1014      1.38932  0.716281 0.342961  0.720492 0.344399  
1 1 1 34 1  41 o 0.853458 0.357007  0.620991     1.0212   -0.525139    1.40797  1.89314      1.48336  0.768227 0.360369  1.15283  0.448106  
1 1 1 34 1  42 o 0.737376 0.335421  0.0983341    1.08617  0.842193     1.51434  -0.689833    1.55879  0.906829 0.405632  0.747031 0.35893   
1 1 1 34 1  43 o 0.661323 0.316192  -0.381237    1.17288  -0.937709    1.66976  0.160736     1.64786  0.705284 0.346223  0.786548 0.375759  
1 1 1 34 1  44 o 0.95099  0.397525  1.76315      1.26477  3.28931      1.79843  0.269725     1.77904  1.10453  0.468444  0.774944 0.374801  
1 1 1 34 2  0  o 9.36025  0.106581  87.6556      1.99466  87.6556      1.99466  87.6556      1.99466  9.36135  0.0753441 ?        ?         
1 1 1 34 2  1  o 22.6018  0.159368  511.032      7.20399  509.215      9.82209  513.147      10.5981  22.5577  0.21771   22.6434  0.234021  
1 1 1 34 2  2  o 21.472   0.148585  461.199      6.38086  460.208      9.11     462.154      8.9402   21.4451  0.212402  21.4907  0.208001  
1 1 1 34 2  3  o 7.94591  0.0639237 63.1413      1.01586  64.7032      1.4493   61.6329      1.42432  8.04333  0.0900934 7.85017  0.0907192 
1 1 1 34 2  4  o 9.94491  0.0767565 98.9099      1.52667  99.2909      2.19807  98.5548      2.12203  9.96356  0.110305  9.92661  0.106886  
1 1 1 34 2  5  o 10.7306  0.0791831 115.156      1.69936  117.242      2.43795  113.184      2.37     10.8268  0.112589  10.6378  0.111396  
1 1 1 34 2  6  o 26.1096  0.181711  682.051      9.4888   682.768      13.4333  681.337      13.4051  26.1165  0.257179  26.0892  0.25691   
1 1 1 34 2  7  o 13.1212  0.0983084 172.192      2.57985  171.816      3.64458  172.57       3.65235  13.1058  0.139044  13.1345  0.139036  
1 1 1 34 2  8  o 19.2944  0.131823  372.384      5.08689  371.825      7.11352  372.97       7.27716  19.2771  0.184507  19.3065  0.188464  
1 1 1 34 2  9  o 20.1682  0.140791  406.904      5.67902  406.232      7.92856  407.613      8.13824  20.148   0.196758  20.1818  0.201623  
1 1 1 34 2  10 o 19.7654  0.140022  390.826      5.5352   386.811      7.7526   395.001      7.90555  19.6598  0.197169  19.8667  0.198965  
1 1 1 34 2  11 o 13.3319  0.096813  177.773      2.5814   180.585      3.7827   175.323      3.53152  13.4354  0.140774  13.2385  0.133381  
1 1 1 34 2  12 o 14.702   0.104602  216.201      3.07573  216.461      4.30794  215.931      4.39277  14.7092  0.146437  14.691   0.149505  
1 1 1 34 2  13 o 18.9738  0.146397  360.183      5.55541  360.381      8.07718  360.005      7.65302  18.9738  0.212851  18.9649  0.201768  
1 1 1 34 2  14 o 4.74709  0.0847235 22.5389      0.804379 23.149       1.16155  21.9768      1.115    4.81045  0.120732  4.68709  0.118944  
1 1 1 34 2  15 o 1.67524  0.194957  2.80942      0.653199 2.81363      0.933725 2.80539      0.914112 1.67555  0.278632  1.67317  0.273168  
1 1 1 34 2  16 o 5.14457  0.0870996 26.4729      0.89618  25.9436      1.22709  27.0779      1.31195  5.09233  0.120484  5.20234  0.126092  
1 1 1 34 2  17 o 18.1704  0.143384  330.419      5.2107   330.575      7.36207  330.263      7.37602  18.1676  0.202616  18.1589  0.203096  
1 1 1 34 2  18 f 6.55647  0.0832653 43.001       1.09185  43.1445      1.55951  42.863       1.52916  6.5663   0.118751  6.54491  0.11682   
1 1 1 34 2  19 o 3.5255   0.112468  12.4377      0.793016 12.6637      1.14339  12.2282      1.10081  3.55614  0.160763  3.49455  0.157504  
1 1 1 34 2  20 o 10.9313  0.0942259 119.559      2.06002  120.094      2.98665  119.074      2.84511  10.9523  0.136348  10.9062  0.130435  
1 1 1 34 2  21 o 4.72015  0.0909832 22.2937      0.858909 21.9841      1.2232   22.5947      1.20633  4.68569  0.130525  4.75048  0.12697   
1 1 1 34 2  22 o 1.80439  0.199005  3.26819      0.718164 2.93929      1.05405  3.55317      0.981142 1.67825  0.325655  1.87888  0.261098  
1 1 1 34 2  23 o 3.82329  0.108134  14.6367      0.826858 14.6035      1.1504   14.6722      1.18928  3.81659  0.15071   3.82525  0.155452  
1 1 1 34 2  24 o 5.36216  0.0905306 28.7844      0.970878 29.2245      1.33429  28.2892      1.41535  5.40043  0.123536  5.31243  0.133211  
1 1 1 34 2  25 o 3.81933  0.111371  14.6152      0.850726 14.9124      1.16554  14.2763      1.24456  3.85479  0.15118   3.7704   0.165044  
1 1 1 34 2  26 f 3.3212   0.125279  11.0622      0.83215  10.2086      1.17086  11.9334      1.18291  3.18519  0.183797  3.44514  0.171679  
1 1 1 34 2  27 o 1.41591  0.292025  2.11325      0.798719 1.6117       1.10002  2.67253      1.16161  1.25291  0.394186  1.58148  0.372889  
1 1 1 34 2  28 o 3.50514  0.127275  12.3352      0.892232 12.4591      1.26739  12.2134      1.25629  3.5157   0.180248  3.48082  0.180459  
1 1 1 34 2  29 o 0.877903 0.344749  0.496001     0.882804 1.68456      1.30498  -0.50688     1.19872  1.28954  0.430669  0.79752  0.358682  
1 1 1 34 2  30 o 3.26822  0.140544  10.7527      0.918661 10.6333      1.30531  10.8699      1.29314  3.23845  0.201533  3.27519  0.197415  
1 1 1 34 2  31 o 2.25412  0.20974   5.16213      0.94556  5.02135      1.35153  5.29711      1.32336  2.20322  0.306718  2.26646  0.291944  
1 1 1 34 2  32 o 0.891267 0.337727  0.625794     0.827922 0.426089     1.15552  0.836467     1.18682  0.941811 0.385391  1.04134  0.401635  
1 1 1 34 2  33 o 4.71463  0.109197  22.3625      1.02964  21.3868      1.47006  23.3022      1.4426   4.59474  0.159973  4.79971  0.150279  
1 1 1 34 2  34 o 1.69838  0.258417  2.9981       0.877781 2.60086      1.22505  3.41724      1.25836  1.51519  0.398796  1.75061  0.370747  
1 1 1 34 2  35 o 4.25419  0.124307  18.288       1.05765  20.0767      1.50465  16.5409      1.48698  4.43761  0.169534  4.02064  0.184919  
1 1 1 34 2  36 f 0.908433 0.354449  0.655978     0.929912 0.158765     1.32718  1.13548      1.30333  0.916565 0.395901  1.1029   0.422033  
1 1 1 34 2  37 o 0.637703 0.298921  -0.801912    0.962272 -2.23335     1.33126  0.764289     1.39252  0.63606  0.311357  1.03148  0.422742  
1 1 1 34 2  38 o 2.32101  0.217683  5.67946      1.01049  5.40333      1.43851  5.94845      1.41977  2.19293  0.327987  2.31721  0.306354  
1 1 1 34 2  39 f 1.36521  0.362533  2.26772      1.00674  2.44924      1.45869  2.10261      1.3912   1.36145  0.455327  1.27823  0.444028  
1 1 1 34 2  40 o 0.757677 0.336141  0.0597594    1.01896  -0.515549    1.38813  0.731966     1.50048  0.777436 0.363002  0.968003 0.419573  
1 1 1 34 2  41 o 0.574267 0.278833  -1.23857     1.00948  -1.02677     1.38861  -1.47597     1.47011  0.708776 0.340117  0.691174 0.335877  
1 1 1 34 2  42 o 0.720644 0.331338  -0.0327386   1.10149  -1.22352     1.57101  1.11865      1.54481  0.705061 0.343691  0.94543  0.417361  
1 1 1 34 2  43 o 1.09513  0.411655  2.2484       1.22296  2.47627      1.72435  2.01779      1.73476  1.04418  0.451148  0.979773 0.436313  
1 1 1 34 2  44 o 0.726528 0.340387  0.348089     1.24205  1.41482      1.75342  -0.726231    1.75965  0.860526 0.403393  0.697917 0.344626  
1 1 1 34 3  0  o 1.84099  0.15055   3.45734      0.545795 3.45734      0.545795 3.45734      0.545795 1.85042  0.105058  ?        ?         
1 1 1 34 3  1  o 7.29226  0.0667838 53.1805      0.97401  52.3497      1.40062  53.9586      1.35541  7.23479  0.0967972 7.34518  0.0922654 
1 1 1 34 3  2  o 23.4401  0.161598  549.653      7.57573  546.185      10.5285  553.376      10.909   23.3616  0.225338  23.5143  0.231966  
1 1 1 34 3  3  o 21.3922  0.144906  457.771      6.19974  454.985      8.62745  460.747      8.91513  21.3237  0.202297  21.4579  0.207735  
1 1 1 34 3  4  o 17.2324  0.124917  297.026      4.30524  293.47       5.88766  301.112      6.31148  17.1271  0.171881  17.3482  0.181906  
1 1 1 34 3  5  o 14.0859  0.106866  198.445      3.01061  194.182      4.2836   202.607      4.23215  13.9324  0.153728  14.2316  0.148689  
1 1 1 34 3  6  o 20.0591  0.139507  402.491      5.59677  402.452      7.8309   402.532      8.00193  20.0551  0.195235  20.0568  0.199482  
1 1 1 34 3  7  o 3.89358  0.0661082 15.1611      0.514795 14.7776      0.70534  15.5982      0.753063 3.84389  0.0917482 3.94915  0.0953449 
1 1 1 34 3  8  o 11.7998  0.0916879 139.256      2.1638   136.656      2.9124   142.46       3.23276  11.6884  0.124585  11.9337  0.135447  
1 1 1 34 3  9  o 17.0091  0.121598  289.394      4.13657  287.791      5.69574  291.184      6.0175   16.9597  0.16792   17.0589  0.176374  
1 1 1 34 3  10 o 11.0618  0.0857381 122.383      1.89684  120.593      2.72688  124.061      2.64029  10.9797  0.124178  11.1366  0.118541  
1 1 1 34 3  11 o 20.4672  0.141819  419.084      5.80526  418.513      8.19801  419.659      8.22178  20.4488  0.200452  20.4768  0.200759  
1 1 1 34 3  12 o 4.38398  0.0767353 19.2218      0.672812 19.1545      0.936952 19.2934      0.966746 4.37603  0.107055  4.39183  0.110062  
1 1 1 34 3  13 o 4.64364  0.0799957 21.5667      0.742943 21.6389      1.04892  21.4941      1.05244  4.65105  0.112762  4.63545  0.113521  
1 1 1 34 3  14 o 8.69617  0.082524  75.6369      1.43529  76.0929      2.07288  75.217       1.9893   8.72149  0.118838  8.67125  0.114706  
1 1 1 34 3  15 o 11.4083  0.0970887 130.185      2.21523  129.542      3.05521  130.898      3.21664  11.3786  0.134252  11.4378  0.140615  
1 1 1 34 3  16 o 6.04114  0.0857444 36.5043      1.03599  36.6273      1.53158  36.4006      1.4066   6.05044  0.126568  6.03193  0.116596  
1 1 1 34 3  17 o 12.6753  0.107058  160.738      2.71398  161.908      3.86255  159.597      3.8142   12.7183  0.151851  12.6272  0.151031  
1 1 1 34 3  18 o 4.00306  0.101527  16.0325      0.812842 16.9937      1.21087  15.2441      1.09666  4.12018  0.146944  3.9025   0.140508  
1 1 1 34 3  19 o 4.67431  0.0917528 21.8596      0.857761 21.586       1.24114  22.1097      1.1868   4.64373  0.133636  4.69998  0.126256  
1 1 1 34 3  20 o 2.79731  0.13283   7.83407      0.743133 7.13674      1.06459  8.49677      1.03782  2.66792  0.199516  2.91183  0.178208  
1 1 1 34 3  21 o 3.0869   0.120851  9.54005      0.74611  7.19199      1.0427   12.0038      1.06808  2.6777   0.1947    3.46133  0.154287  
1 1 1 34 3  22 o 6.50857  0.0817617 42.3906      1.0643   41.2157      1.4838   43.6357      1.52745  6.41557  0.115641  6.60123  0.115694  
1 1 1 34 3  23 o 2.64518  0.142097  7.01341      0.751742 7.78538      1.04795  6.19506      1.07898  2.78447  0.188178  2.48215  0.217347  
1 1 1 34 3  24 o 4.47597  0.0997427 20.0621      0.89289  18.9717      1.22545  21.296       1.30365  4.34963  0.140868  4.60833  0.141445  
1 1 1 34 3  25 o 2.35318  0.163692  5.56131      0.770393 4.5047       1.01851  6.97418      1.17776  2.11248  0.241069  2.63018  0.223894  
1 1 1 34 3  26 o 0.582883 0.268346  -0.552449    0.725076 -0.285503    1.00128  -0.846774    1.05138  0.759567 0.335571  0.693379 0.320713  
1 1 1 34 3  27 f 5.66394  0.0971344 32.1452      1.10033  30.5837      1.57543  33.6324      1.53746  5.51827  0.142746  5.78847  0.132804  
1 1 1 34 3  28 o 3.45179  0.128898  11.966       0.889856 13.0006      1.29164  11.0313      1.22768  3.59075  0.179857  3.30674  0.185634  
1 1 1 34 3  29 o 5.44962  0.113869  29.814       1.24109  29.1411      1.79209  30.4341      1.72042  5.37596  0.166677  5.49661  0.156499  
1 1 1 34 3  30 o 2.76398  0.156871  7.70575      0.867174 7.07011      1.21401  8.36795      1.23912  2.6343   0.230423  2.86913  0.21594   
1 1 1 34 3  31 o 1.75232  0.261652  3.14954      0.916999 3.74029      1.35747  2.65369      1.24366  1.85453  0.379081  1.55394  0.398323  
1 1 1 34 3  32 o 1.37338  0.304369  2.03331      0.813894 1.18587      1.12067  2.97921      1.18398  1.11388  0.397366  1.64853  0.368453  
1 1 1 34 3  33 o 2.7691   0.162118  7.77379      0.897846 7.34661      1.28002  8.18753      1.25972  2.67037  0.23967   2.82464  0.222987  
1 1 1 34 3  34 o 2.9091   0.157776  8.58956      0.917974 8.84277      1.29989  8.33764      1.29654  2.93047  0.221788  2.8432   0.228007  
1 1 1 34 3  35 o 1.72846  0.263698  3.13403      0.911581 2.71406      1.28078  3.56517      1.29772  1.5311   0.40997   1.77373  0.377133  
1 1 1 34 3  36 o 2.68592  0.18316   7.39999      0.983904 6.48477      1.39379  8.30909      1.38912  2.47212  0.281902  2.81748  0.246519  
1 1 1 34 3  37 o 1.07121  0.37251   1.2359       0.979359 2.217        1.35967  0.178045     1.41185  1.36236  0.439323  0.93207  0.405538  
1 1 1 34 3  38 o 0.89039  0.355247  0.655313     0.951224 -0.230233    1.32674  1.592        1.36452  0.828912 0.374821  1.17324  0.436046  
1 1 1 34 3  39 f 2.38904  0.209234  6.05277      0.999737 7.14483      1.46396  5.09844      1.36854  2.53038  0.289278  2.1095   0.324375  
1 1 1 34 3  40 o 1.43948  0.363868  2.65002      1.04868  3.03793      1.45571  2.23152      1.51201  1.44899  0.45298   1.24402  0.459675  
1 1 1 34 3  41 o 0.671164 0.311238  -0.339478    0.998422 -1.06712     1.36392  0.500605     1.46551  0.693207 0.33372   0.891338 0.398862  
1 1 1 34 3  42 o 1.41806  0.396093  3.00829      1.16609  4.07443      1.71532  2.09224      1.59001  1.47873  0.493758  1.09724  0.45105   
1 1 1 34 3  43 o 0.689009 0.326019  -0.0974425   1.20204  0.0052184    1.6726   -0.207102    1.72867  0.761312 0.367254  0.751207 0.364789  
1 1 1 34 3  44 o 0.588849 0.290016  -0.971862    1.21465  1.50959      1.71423  -3.47388     1.72132  0.847856 0.397706  0.556832 0.284134  
1 1 1 34 4  0  o 10.4012  0.113852  108.234      2.36776  108.234      2.36776  108.234      2.36776  10.4024  0.0804857 ?        ?         
1 1 1 34 4  1  o 9.63253  0.0757299 92.7937      1.45894  91.8386      2.0451   93.7834      2.0819   9.58241  0.106711  9.68333  0.107499  
1 1 1 34 4  2  o 21.6283  0.148053  467.936      6.40426  468.361      9.06617  467.513      9.04784  21.6344  0.209531  21.6148  0.209297  
1 1 1 34 4  3  o 16.2023  0.1151    262.568      3.72978  261.677      5.14515  263.555      5.41456  16.1733  0.159063  16.2309  0.166798  
1 1 1 34 4  4  o 22.0614  0.163834  486.903      7.2288   486.364      9.84842  487.532      10.644   22.0451  0.223369  22.0702  0.241139  
1 1 1 34 4  5  o 24.1239  0.170307  582.226      8.21692  583.642      11.7882  580.888      11.4597  24.1471  0.244092  24.0906  0.237846  
1 1 1 34 4  6  o 27.0727  0.186163  733.354      10.0799  737.563      14.4963  729.415      14.0256  27.1417  0.267048  26.9923  0.259808  
1 1 1 34 4  7  o 12.8387  0.0935911 164.859      2.40318  163.105      3.33404  166.755      3.46709  12.7693  0.130549  12.9113  0.134266  
1 1 1 34 4  8  o 7.64164  0.069107  58.4         1.05618  59.2881      1.56666  57.6601      1.43001  7.69911  0.101743  7.59278  0.0941692 
1 1 1 34 4  9  o 8.83753  0.0708528 78.1098      1.25233  77.82        1.75687  78.4093      1.78559  8.82067  0.0995882 8.85398  0.100836  
1 1 1 34 4  10 o 16.2115  0.115584  262.885      3.74758  264.224      5.25395  261.498      5.34703  16.2505  0.161655  16.1662  0.165376  
1 1 1 34 4  11 o 6.60543  0.0706076 43.6364      0.932788 43.4459      1.31386  43.8301      1.32453  6.59064  0.099676  6.61971  0.100044  
1 1 1 34 4  12 o 7.26088  0.0796793 52.7281      1.15708  53.1638      1.6733   52.3288      1.60177  7.29024  0.114763  7.23284  0.110729  
1 1 1 34 4  13 o 22.3483  0.163988  499.784      7.32971  502.345      10.3     497.155      10.4328  22.3981  0.22993   22.2816  0.234114  
1 1 1 34 4  14 o 16.4774  0.123474  271.619      4.06907  272.292      5.77831  270.958      5.73105  16.4942  0.175162  16.4539  0.174155  
1 1 1 34 4  15 o 5.02287  0.0854411 25.2349      0.85832  24.9072      1.20637  25.5709      1.22146  4.98959  0.120889  5.05564  0.120802  
1 1 1 34 4  16 o 14.6597  0.115848  215.009      3.39658  214.643      4.80939  215.373      4.79762  14.6436  0.164215  14.6685  0.163534  
1 1 1 34 4  17 o 8.11797  0.0854513 65.9226      1.38738  66.3122      1.99947  65.561       1.92666  8.14049  0.12281   8.09441  0.119012  
1 1 1 34 4  18 o 6.92759  0.084624  48.0092      1.17248  49.0703      1.77138  47.1818      1.56416  7.00215  0.126489  6.86662  0.113896  
1 1 1 34 4  19 o 5.14425  0.0879821 26.4755      0.905204 26.3593      1.32473  26.5773      1.23979  5.13158  0.129077  5.1531   0.120295  
1 1 1 34 4  20 o 6.67404  0.0799295 44.5627      1.06691  42.6957      1.46707  46.6586      1.55438  6.53128  0.112311  6.82759  0.113831  
1 1 1 34 4  21 o 11.5333  0.0932797 133.116      2.15164  135.373      3.07162  130.941      3.01494  11.6263  0.132098  11.4344  0.131836  
1 1 1 34 4  22 o 2.54105  0.1413    6.47064      0.718101 6.98615      1.00736  5.93802      1.02394  2.63805  0.190929  2.43111  0.21059   
1 1 1 34 4  23 o 3.78304  0.107497  14.3316      0.813329 14.4525      1.11194  14.1926      1.19275  3.79665  0.146436  3.7615   0.158547  
1 1 1 34 4  24 o 3.72982  0.1112    13.9363      0.829511 14.5432      1.13886  13.2505      1.21063  3.8074   0.149559  3.63284  0.166624  
1 1 1 34 4  25 o 3.14924  0.123293  9.94311      0.776556 10.0437      1.07255  9.83229      1.12582  3.16146  0.169629  3.12706  0.180012  
1 1 1 34 4  26 o 7.44267  0.0893366 55.4809      1.32981  55.9852      1.83512  54.9233      1.9297   7.47121  0.122813  7.39862  0.13041   
1 1 1 34 4  27 o 3.71508  0.119922  13.8461      0.891039 13.1099      1.30692  14.4856      1.21801  3.60763  0.181133  3.79515  0.160469  
1 1 1 34 4  28 o 3.12876  0.141199  9.84204      0.883559 9.54376      1.29324  10.1032      1.21     3.07106  0.210552  3.16304  0.191271  
1 1 1 34 4  29 o 1.8383   0.246406  3.44273      0.90594  3.08541      1.25252  3.83475      1.31193  1.68794  0.380162  1.89265  0.359578  
1 1 1 34 4  30 f 3.4335   0.134943  11.8665      0.926653 12.0587      1.31339  11.6759      1.3076   3.44995  0.19035   3.39423  0.192621  
1 1 1 34 4  31 o 0.557722 0.268407  -1.26633     0.88049  -2.49428     1.27282  -0.139483    1.2193   0.610882 0.300652  0.858001 0.375072  
1 1 1 34 4  32 o 0.832077 0.328369  0.453091     0.804586 1.12632      1.13095  -0.236826    1.14489  1.09748  0.398419  0.810817 0.358441  
1 1 1 34 4  33 o 0.976697 0.344975  0.921594     0.842754 0.60971      1.20117  1.22396      1.18271  0.983362 0.396424  1.12483  0.407523  
1 1 1 34 4  34 o 0.673572 0.303478  -0.341057    0.861961 -0.115458    1.23585  -0.554756    1.20281  0.853464 0.375311  0.775239 0.352732  
1 1 1 34 4  35 o 1.24881  0.346699  1.75291      0.896079 0.736795     1.26716  2.76929      1.26733  1.01187  0.407478  1.54517  0.405127  
1 1 1 34 4  36 o 1.12816  0.365815  1.40324      0.941788 0.408486     1.33023  2.40298      1.33356  0.95907  0.404618  1.42859  0.430979  
1 1 1 34 4  37 o 1.39386  0.354043  2.2517       0.98923  3.23636      1.38024  1.21167      1.41851  1.63721  0.4196    1.11871  0.437511  
1 1 1 34 4  38 o 1.13908  0.372948  1.53363      0.978618 1.8555       1.32333  1.14517      1.45381  1.23134  0.43255   1.0832   0.43635   
1 1 1 34 4  39 o 0.857579 0.349666  0.58216      0.947805 -0.480033    1.42546  1.4239       1.26894  0.808272 0.373694  1.10122  0.41787   
1 1 1 34 4  40 o 1.16016  0.384795  1.77213      1.04178  2.12513      1.4938   1.43786      1.45363  1.21827  0.455547  1.07556  0.435062  
1 1 1 34 4  41 o 1.4785   0.356723  2.90465      1.04424  2.41329      1.40479  3.51144      1.56111  1.23738  0.444549  1.46932  0.470436  
1 1 1 34 4  42 o 0.698931 0.328023  -0.29591     1.17177  0.907742     1.78742  -1.20306     1.55173  0.925352 0.42404   0.698382 0.34064   
1 1 1 34 4  43 o 0.529254 0.264195  -1.83032     1.14945  -1.88766     1.58021  -1.76588     1.67507  0.618863 0.309045  0.641487 0.320037  
1 1 1 34 4  44 o 0.70778  0.332396  0.493033     1.21045  0.834424     1.68858  0.13217      1.73607  0.757578 0.366185  0.710682 0.350071  
1 1 1 34 5  0  o 18.2198  0.18622   332.153      6.78421  332.153      6.78421  332.153      6.78421  18.2224  0.131643  ?        ?         
1 1 1 34 5  1  o 12.6357  0.0945417 159.683      2.38921  158.44       3.35463  160.963      3.4036   12.5856  0.133273  12.6854  0.134155  
1 1 1 34 5  2  o 2.58298  0.079869  6.67245      0.412601 6.26555      0.58269  7.08163      0.584324 2.50284  0.116405  2.66088  0.109799  
1 1 1 34 5  3  o 2.58213  0.0793318 6.66807      0.40969  6.73529      0.582425 6.60223      0.576401 2.59498  0.112221  2.56922  0.112174  
1 1 1 34 5  4  o 12.5232  0.0950143 156.854      2.37977  157.485      3.34448  156.207      3.38694  12.5475  0.133273  12.4964  0.135517  
1 1 1 34 5  5  o 11.7107  0.0880674 137.157      2.06265  138.271      3.04967  136.218      2.80032  11.7572  0.129694  11.6698  0.119981  
1 1 1 34 5  6  o 14.9225  0.106316  222.724      3.17299  221.376      4.52087  224.033      4.45445  14.8756  0.151955  14.9648  0.148831  
1 1 1 34 5  7  o 27.8982  0.18987   778.836      10.5941  769.537      14.8224  788.548      15.1474  27.7217  0.267343  28.0617  0.269895  
1 1 1 34 5  8  o 13.312   0.104265  177.248      2.77595  174.348      3.82387  180.479      4.03633  13.2013  0.144829  13.4312  0.15026   
1 1 1 34 5  9  o 11.0953  0.0836823 123.124      1.85696  121.623      2.60814  124.668      2.64452  11.0267  0.118265  11.1638  0.118441  
1 1 1 34 5  10 o 8.89858  0.07692   79.1947      1.36896  79.5321      1.99275  78.8933      1.88383  8.91688  0.11174   8.88111  0.106058  
1 1 1 34 5  11 o 9.88281  0.0852266 97.6856      1.68456  96.2279      2.36403  99.1894      2.40104  9.80799  0.120515  9.95777  0.120561  
1 1 1 34 5  12 o 15.5537  0.122539  242.005      3.81187  240.425      5.22782  243.798      5.57003  15.5003  0.168636  15.608   0.178435  
1 1 1 34 5  13 o 16.4595  0.121659  271.019      4.00489  273.487      5.6624   268.549      5.66514  16.531   0.171266  16.381   0.172918  
1 1 1 34 5  14 o 4.75102  0.0888955 22.5773      0.844688 22.8076      1.22283  22.3671      1.16818  4.77459  0.128056  4.72834  0.12353   
1 1 1 34 5  15 o 10.6123  0.0935636 112.653      1.98585  110.143      2.7381   115.438      2.88445  10.492   0.130485  10.7411  0.134271  
1 1 1 34 5  16 f 8.07259  0.0826796 65.184       1.33488  65.6046      1.92342  64.7932      1.85409  8.09743  0.118767  8.04733  0.115199  
1 1 1 34 5  17 o 5.73172  0.0837266 32.8634      0.959795 34.5606      1.41359  31.4117      1.30734  5.87683  0.120268  5.60282  0.116668  
1 1 1 34 5  18 o 1.81312  0.205088  3.29491      0.743698 4.31237      1.09909  2.43563      1.01004  2.0727   0.265135  1.52589  0.339805  
1 1 1 34 5  19 o 3.06836  0.117688  9.42299      0.722219 11.4408      1.04536  7.58028      0.998962 3.37988  0.154645  2.75037  0.181605  
1 1 1 34 5  20 o 1.53501  0.221356  2.3648       0.679567 2.20117      0.935897 2.54729      0.988354 1.4492   0.33016   1.56064  0.327139  
1 1 1 34 5  21 f 2.68616  0.129541  7.22671      0.695936 7.61863      0.973925 6.81779      0.994812 2.7562   0.176679  2.60669  0.190819  
1 1 1 34 5  22 o 2.14122  0.165284  4.5986       0.707817 5.23319      0.975461 3.89289      1.02867  2.28189  0.21374   1.96565  0.26166   
1 1 1 34 5  23 o 0.92503  0.317128  0.79373      0.707646 1.87372      0.968207 -0.444801    1.03684  1.33456  0.356045  0.749806 0.335512  
1 1 1 34 5  24 o 3.4275   0.119439  11.7727      0.818755 12.2765      1.11136  11.1747      1.21081  3.49715  0.158895  3.33459  0.181553  
1 1 1 34 5  25 o 3.518    0.112396  12.404       0.790818 12.6817      1.10256  12.1097      1.13491  3.55355  0.155136  3.47167  0.163453  
1 1 1 34 5  26 o 5.77567  0.0928747 33.4167      1.07283  35.8878      1.52527  30.9973      1.50927  5.98082  0.127514  5.55718  0.135794  
1 1 1 34 5  27 o 6.7892   0.0918994 46.1838      1.24785  45.2972      1.7825   47.0359      1.74746  6.71659  0.132694  6.84532  0.127639  
1 1 1 34 5  28 o 5.2787   0.10155   27.9453      1.0721   26.7202      1.4908   29.2575      1.54291  5.15419  0.14462   5.39371  0.143029  
1 1 1 34 5  29 o 3.37159  0.145698  11.4444      0.982466 11.3432      1.40438  11.5415      1.37492  3.34431  0.209966  3.37481  0.203703  
1 1 1 34 5  30 o 3.36096  0.141394  11.3772      0.950441 10.5517      1.35192  12.1839      1.33647  3.22278  0.209744  3.46731  0.192724  
1 1 1 34 5  31 o 1.83316  0.24461   3.44028      0.896818 1.94688      1.27682  4.89444      1.25993  1.34612  0.424893  2.17634  0.289461  
1 1 1 34 5  32 o 2.77335  0.155114  7.78354      0.86037  8.54869      1.20474  6.9871       1.22912  2.89301  0.208216  2.60779  0.235663  
1 1 1 34 5  33 o 1.37594  0.313084  2.07038      0.842434 1.68083      1.18037  2.47482      1.20271  1.24633  0.409591  1.4809   0.397618  
1 1 1 34 5  34 o 0.66444  0.300134  -0.356789    0.84847  -0.776718    1.20502  0.0561041    1.19488  0.745268 0.344191  0.867702 0.375233  
1 1 1 34 5  35 o 0.750185 0.324303  0.0234786    0.89195  -0.608817    1.25988  0.658857     1.26294  0.781539 0.357246  0.993416 0.404107  
1 1 1 34 5  36 o 1.09181  0.36474   1.30006      0.936018 -0.738075    1.31656  3.38321      1.33102  0.779554 0.359928  1.70283  0.397646  
1 1 1 34 5  37 o 0.839864 0.349131  0.38182      0.96724  1.46112      1.33189  -0.822574    1.40696  1.15846  0.430752  0.78836  0.367076  
1 1 1 34 5  38 o 2.40038  0.208641  6.07198      1.00164  5.40174      1.37088  6.83956      1.46706  2.19577  0.312164  2.48495  0.295189  
1 1 1 34 5  39 o 1.37463  0.350204  2.31486      0.965737 1.70699      1.40091  2.86532      1.33313  1.16567  0.440017  1.46921  0.427841  
1 1 1 34 5  40 o 1.14283  0.38348   1.72178      1.03467  3.28798      1.47858  0.21893      1.44837  1.50208  0.453941  0.87387  0.393574  
1 1 1 34 5  41 o 0.99166  0.376053  1.32677      1.02713  -0.840118    1.38704  3.95783      1.52839  0.710195 0.340587  1.57949  0.457507  
1 1 1 34 5  42 o 1.48236  0.396085  3.311        1.19707  1.30936      1.8077   4.87426      1.59753  0.964998 0.436875  1.71321  0.457475  
1 1 1 34 5  43 o 0.596347 0.2913    -0.851891    1.14917  -1.23248     1.59202  -0.437861    1.66049  0.652271 0.323461  0.712906 0.348682  
1 1 1 34 5  44 o 0.846062 0.374376  1.6336       1.25293  2.20007      1.80029  1.10149      1.74484  0.847569 0.40015   0.759591 0.368117  
1 1 1 34 6  0  o 35.4982  0.340149  1261.63      24.1444  1261.63      24.1444  1261.63      24.1444  35.5086  0.240426  ?        ?         
1 1 1 34 6  1  o 16.6445  0.119417  277.101      3.97527  273.23       5.61412  280.994      5.62967  16.5258  0.169859  16.759   0.167959  
1 1 1 34 6  2  o 12.0475  0.0897767 145.162      2.16317  142.248      2.97074  148.45       3.15603  11.9252  0.124557  12.1823  0.129533  
1 1 1 34 6  3  o 12.1566  0.0905195 147.803      2.20081  146.257      3.12326  149.326      3.10169  12.092   0.129146  12.2182  0.126929  
1 1 1 34 6  4  o 10.9827  0.083764  120.635      1.83991  119.168      2.55006  122.228      2.65731  10.9151  0.116814  11.0543  0.120194  
1 1 1 34 6  5  o 27.5267  0.189232  758.203      10.4178  755.924      14.859   760.407      14.6102  27.4758  0.270401  27.5579  0.265082  
1 1 1 34 6  6  o 15.7775  0.111908  248.99       3.53127  247.287      4.91261  250.81       5.0795   15.7217  0.156237  15.8331  0.160408  
1 1 1 34 6  7  o 20.3047  0.144802  412.457      5.88034  406.561      8.11488  418.975      8.53297  20.1551  0.201311  20.4599  0.208529  
1 1 1 34 6  8  o 16.8233  0.119316  283.108      4.01457  276.467      5.62857  289.985      5.72764  16.6224  0.169307  17.024   0.168223  
1 1 1 34 6  9  o 13.4643  0.0974926 181.323      2.62534  178.086      3.66425  184.738      3.7633   13.3422  0.137318  13.5891  0.138468  
1 1 1 34 6  10 o 8.63633  0.0750054 74.5954      1.29554  71.4539      1.70642  78.8701      1.99058  8.45209  0.100947  8.87966  0.112086  
1 1 1 34 6  11 o 16.073   0.121057  258.429      3.89149  251.522      5.31303  266.423      5.71582  15.8542  0.167559  16.3166  0.175153  
1 1 1 34 6  12 o 4.12733  0.088827  17.0383      0.733237 17.3595      1.05536  16.7385      1.01948  4.16562  0.126675  4.09046  0.124616  
1 1 1 34 6  13 f 4.22502  0.0872023 17.8545      0.736862 17.2142      1.0712   18.4296      1.01521  4.14803  0.129122  4.29214  0.118264  
1 1 1 34 6  14 o 6.96858  0.0836323 48.5715      1.1656   47.7211      1.68807  49.3463      1.6114   6.90647  0.12221   7.02328  0.114719  
1 1 1 34 6  15 o 3.98065  0.0969313 15.8508      0.7717   16.4596      1.08044  15.2168      1.10259  4.05578  0.133197  3.8995   0.141377  
1 1 1 34 6  16 o 7.41441  0.0813537 54.989       1.20638  53.8083      1.69902  56.1895      1.71322  7.3333   0.115843  7.49385  0.114308  
1 1 1 34 6  17 o 5.846    0.0821155 34.1871      0.960095 33.0612      1.33608  35.3893      1.38057  5.74796  0.116222  5.9469   0.116075  
1 1 1 34 6  18 f 15.5984  0.122954  243.521      3.83577  247.585      5.64625  240.039      5.22715  15.7203  0.179584  15.4806  0.168829  
1 1 1 34 6  19 o 2.78186  0.125719  7.74683      0.699462 6.85274      0.995176 8.61973      0.98331  2.6146   0.190311  2.93317  0.167619  
1 1 1 34 6  20 o 10.2813  0.0901045 105.773      1.85279  106.534      2.59693  104.984      2.64418  10.315   0.125881  10.2394  0.129118  
1 1 1 34 6  21 o 2.83801  0.125202  8.06711      0.71065  8.11309      0.98593  8.01738      1.02525  2.84406  0.173332  2.82683  0.181342  
1 1 1 34 6  22 o 1.4458   0.238813  2.10394      0.690552 1.28185      0.957835 2.99372      0.996488 1.13955  0.36886   1.69573  0.304921  
1 1 1 34 6  23 o 3.50055  0.113021  12.2752      0.791272 11.3925      1.07612  13.3143      1.16751  3.3694   0.15969   3.64249  0.160263  
1 1 1 34 6  24 o 5.3861   0.0902928 29.0469      0.972653 28.3435      1.3164   29.8927      1.44343  5.31745  0.123781  5.45992  0.132184  
1 1 1 34 6  25 o 3.32196  0.117464  11.0635      0.780422 10.655       1.07772  11.5139      1.13162  3.25597  0.165499  3.38449  0.167177  
1 1 1 34 6  26 o 4.59208  0.100275  21.1314      0.920944 22.3422      1.3321   20.0228      1.27462  4.71703  0.141202  4.46528  0.142725  
1 1 1 34 6  27 o 5.56195  0.0939893 31.002       1.04553  31.3463      1.4885   30.6666      1.46889  5.58671  0.133218  5.52586  0.132911  
1 1 1 34 6  28 o 4.67184  0.108035  21.8997      1.00944  22.0345      1.41892  21.7615      1.43638  4.67869  0.151636  4.64903  0.154482  
1 1 1 34 6  29 o 0.680383 0.305146  -0.355264    0.862015 0.447819     1.30245  -0.981242    1.1499   0.995901 0.408615  0.71101  0.331366  
1 1 1 34 6  30 o 2.95766  0.155621  8.82347      0.920548 7.85165      1.35067  9.66647      1.25797  2.77253  0.243581  3.08603  0.203817  
1 1 1 34 6  31 o 2.19135  0.202231  4.88068      0.886316 4.10868      1.23862  5.69078      1.26881  1.9884   0.31146   2.35122  0.269819  
1 1 1 34 6  32 o 3.90494  0.120961  15.3608      0.944693 16.9145      1.33817  13.8173      1.33383  4.08533  0.163778  3.68702  0.180882  
1 1 1 34 6  33 o 4.56027  0.113575  20.9513      1.03587  22.0899      1.47349  19.8387      1.45654  4.66636  0.157884  4.41938  0.16479   
1 1 1 34 6  34 o 0.826835 0.334149  0.399232     0.856397 1.13093      1.21945  -0.312823    1.20297  1.09829  0.411414  0.808735 0.36165   
1 1 1 34 6  35 o 3.54033  0.14158   12.7233      1.00248  13.0356      1.42052  12.4134      1.41494  3.55745  0.199654  3.46933  0.203921  
1 1 1 34 6  36 o 2.49554  0.197107  6.43906      0.983779 7.49568      1.36623  5.30124      1.41775  2.66263  0.256556  2.20544  0.321421  
1 1 1 34 6  37 o 2.53505  0.192588  6.67965      0.976438 5.11478      1.37838  8.256        1.38342  2.14737  0.320945  2.78366  0.24849   
1 1 1 34 6  38 o 1.12508  0.371588  1.49827      0.971495 2.71626      1.37646  0.289309     1.37136  1.45134  0.437859  0.912455 0.398333  
1 1 1 34 6  39 o 1.24521  0.364212  1.9407       0.964017 2.64085      1.37433  1.26252      1.35258  1.3904   0.441017  1.05982  0.423374  
1 1 1 34 6  40 o 1.03529  0.382967  1.35308      1.05006  1.30948      1.47663  1.3977       1.49353  1.04659  0.432991  1.06358  0.437172  
1 1 1 34 6  41 o 1.59561  0.348053  3.38857      1.07995  4.00029      1.50298  2.73563      1.55279  1.5845   0.451994  1.25653  0.465525  
1 1 1 34 6  42 o 0.924715 0.384732  1.23948      1.17612  0.783385     1.71462  1.64477      1.6163   0.88488  0.409394  0.990286 0.432377  
1 1 1 34 6  43 o 0.613384 0.29784   -0.687071    1.15202  0.644805     1.60273  -2.11073     1.65703  0.798989 0.377315  0.61781  0.309472  
1 1 1 34 7  0  o 5.86436  0.10157   34.4247      1.19048  34.4247      1.19048  34.4247      1.19048  5.86581  0.0717785 ?        ?         
1 1 1 34 7  1  o 12.0972  0.0900765 146.362      2.17934  144.979      3.08856  147.732      3.07558  12.039   0.128273  12.1528  0.126538  
1 1 1 34 7  2  o 18.3797  0.132562  337.917      4.8729   337.612      7.05843  338.195      6.73554  18.3682  0.192137  18.3846  0.183184  
1 1 1 34 7  3  o 7.73306  0.065232  59.8047      1.00889  59.032       1.40498  60.6273      1.44963  7.68265  0.0914386 7.78574  0.093095  
1 1 1 34 7  4  f 26.8166  0.188767  719.603      10.1242  718.358      14.1309  720.916      14.5122  26.7849  0.263785  26.8316  0.27043   
1 1 1 34 7  5  o 23.5124  0.166236  553.127      7.81719  551.452      11.1627  554.738      10.9507  23.4701  0.237806  23.5405  0.232593  
1 1 1 34 7  6  o 21.6664  0.148633  469.643      6.44068  464.17       9.01516  475.347      9.20479  21.5351  0.209314  21.7926  0.21119   
1 1 1 34 7  7  f 4.51306  0.0648186 20.3695      0.585061 21.243       0.84684  19.5718      0.809243 4.60861  0.0918758 4.42362  0.0914684 
1 1 1 34 7  8  o 9.77878  0.0775882 95.6367      1.51744  95.0277      2.11967  96.2769      2.1733   9.74699  0.108734  9.8108   0.11076   
1 1 1 34 7  9  o 5.94572  0.0680838 35.3552      0.809614 35.1013      1.096    35.6601      1.20115  5.92408  0.0925036 5.97095  0.100583  
1 1 1 34 7  10 o 27.7016  0.198113  768.063      10.9761  762.575      15.4218  773.697      15.6252  27.5901  0.279482  27.7902  0.281128  
1 1 1 34 7  11 o 3.30346  0.0989785 10.9154      0.653942 11.851       0.931386 10.0058      0.91838  3.44176  0.135307  3.16237  0.145204  
1 1 1 34 7  12 f 10.0023  0.0835342 100.064      1.67107  99.3681      2.36885  100.754      2.35768  9.96646  0.118841  10.0358  0.117464  
1 1 1 34 7  13 f 3.4009   0.101529  11.5696      0.69058  10.7277      1.02195  12.277       0.936849 3.27415  0.156063  3.50295  0.133723  
1 1 1 34 7  14 o 12.8226  0.111118  164.484      2.84964  162.136      3.94362  167.049      4.12231  12.7284  0.154915  12.9194  0.159539  
1 1 1 34 7  15 o 6.5247   0.0808848 42.5823      1.0555   42.3781      1.53433  42.7658      1.45429  6.50811  0.117878  6.538    0.111218  
1 1 1 34 7  16 o 6.05574  0.0812034 36.6831      0.983494 37.7627      1.38361  35.5804      1.39825  6.14334  0.11261   5.96304  0.117243  
1 1 1 34 7  17 o 2.6301   0.135071  6.9241       0.710501 5.99134      0.981074 7.95287      1.03033  2.44514  0.200617  2.81761  0.182838  
1 1 1 34 7  18 o 4.34826  0.0917166 18.917       0.797615 18.2437      1.09795  19.6694      1.16066  4.26911  0.128592  4.43271  0.13092   
1 1 1 34 7  19 o 7.02582  0.0807519 49.3849      1.1347   50.4838      1.61411  48.3113      1.59546  7.10192  0.113639  6.94736  0.114825  
1 1 1 34 7  20 o 5.65597  0.0810048 32.0081      0.916323 32.7372      1.27025  31.2171      1.32311  5.71859  0.111064  5.58384  0.118477  
1 1 1 34 7  21 o 3.33094  0.109122  11.1092      0.726961 11.5548      1.02993  10.6667      1.02624  3.39513  0.151677  3.26174  0.157314  
1 1 1 34 7  22 o 7.89392  0.082406  62.365       1.30101  64.6979      1.87333  60.1915      1.80821  8.03689  0.116546  7.75194  0.11663   
1 1 1 34 7  23 o 2.5336   0.149434  6.43947      0.757212 6.80906      1.02591  5.99717      1.12229  2.60222  0.197122  2.43973  0.230003  
1 1 1 34 7  24 o 2.5287   0.143672  6.41598      0.726607 6.14005      0.993805 6.73289      1.06505  2.46966  0.201203  2.58573  0.205947  
1 1 1 34 7  25 o 5.01574  0.0936412 25.2002      0.93936  24.5652      1.32814  25.8358      1.32877  4.94775  0.134216  5.07452  0.130926  
1 1 1 34 7  26 o 1.82825  0.20089   3.37159      0.734556 4.62869      1.03618  2.10158      1.04148  2.13804  0.242319  1.40374  0.366896  
1 1 1 34 7  27 o 3.55295  0.119062  12.6695      0.846047 13.3336      1.19179  11.9949      1.20125  3.63904  0.16375   3.45     0.174094  
1 1 1 34 7  28 o 2.5916   0.164899  6.77085      0.854704 6.96007      1.24852  6.60397      1.17252  2.61618  0.238616  2.54989  0.229915  
1 1 1 34 7  29 o 0.728389 0.317982  -0.127273    0.87392  0.14814      1.3861   -0.308991    1.1259   0.964418 0.410218  0.797827 0.353724  
1 1 1 34 7  30 o 3.38599  0.139927  11.5475      0.947585 12.1496      1.30346  10.8726      1.37999  3.46296  0.1882    3.27049  0.210976  
1 1 1 34 7  31 o 2.82068  0.160201  8.04006      0.903755 7.50344      1.24731  8.63316      1.3113   2.70962  0.230163  2.90771  0.225487  
1 1 1 34 7  32 o 2.48791  0.173132  6.2842       0.861475 6.44942      1.21454  6.11691      1.22212  2.50227  0.242687  2.43444  0.251005  
1 1 1 34 7  33 o 2.42448  0.179271  5.98943      0.869278 4.74863      1.18816  7.41852      1.27513  2.13085  0.2788    2.67933  0.237957  
1 1 1 34 7  34 o 1.55291  0.292955  2.62058      0.876596 0.66034      1.22026  4.71087      1.26009  0.989295 0.399253  2.10797  0.298886  
1 1 1 34 7  35 o 1.04348  0.357818  1.14334      0.900929 -0.414476    1.25654  2.79141      1.29243  0.805928 0.364581  1.54564  0.410909  
1 1 1 34 7  36 o 1.20284  0.364508  1.65261      0.9525   2.49193      1.27418  0.589516     1.43401  1.44624  0.41735   1.00848  0.422524  
1 1 1 34 7  37 f 1.70287  0.280157  3.15416      0.954142 3.45791      1.35977  2.85955      1.33918  1.6806   0.408058  1.51434  0.424958  
1 1 1 34 7  38 o 1.1543   0.367077  1.59957      0.951671 1.96189      1.37064  1.26232      1.32239  1.24762  0.440019  1.08195  0.422572  
1 1 1 34 7  39 o 0.694575 0.316894  -0.286953    0.985366 -2.05693     1.39009  1.50057      1.39697  0.641477 0.315222  1.10406  0.433639  
1 1 1 34 7  40 o 0.795971 0.341831  0.38163      0.978839 0.704152     1.36579  0.0410232    1.40356  0.925797 0.400775  0.835854 0.380504  
1 1 1 34 7  41 o 0.668334 0.313442  -0.376154    1.06306  1.44778      1.51173  -2.1604      1.49519  1.00085  0.427141  0.62825  0.311872  
1 1 1 34 7  42 o 0.817893 0.361109  0.77395      1.15699  1.39853      1.62986  0.139492     1.6427   0.927189 0.417551  0.792316 0.377716  
1 1 1 34 7  43 o 0.861337 0.369836  1.18859      1.14545  0.493408     1.5764   1.96619      1.66722  0.787871 0.373058  0.953209 0.426017  
1 1 1 34 8  0  o 35.1629  0.344728  1238.13      24.2381  1238.13      24.2381  1238.13      24.2381  35.1749  0.24365   ?        ?         
1 1 1 34 8  1  o 22.8086  0.159505  520.477      7.2762   519.086      10.5045  521.76       10.0883  22.7722  0.230644  22.8317  0.220927  
1 1 1 34 8  2  o 25.2734  0.174116  639.107      8.80098  641.608      12.6374  636.751      12.2639  25.3151  0.249602  25.2199  0.24314   
1 1 1 34 8  3  o 16.2707  0.111085  264.798      3.61486  264.401      5.11353  265.195      5.11084  16.2565  0.157276  16.2809  0.156958  
1 1 1 34 8  4  o 13.3386  0.0950914 177.951      2.53678  177.785      3.58689  178.117      3.5882   13.3312  0.13453   13.3437  0.134453  
1 1 1 34 8  5  o 2.01538  0.108356  4.06273      0.436756 2.90721      0.623276 5.17757      0.612206 1.70447  0.182835  2.27501  0.13455   
1 1 1 34 8  6  o 2.42948  0.0917265 5.90339      0.445695 6.32918      0.63486  5.48959      0.625851 2.51537  0.126196  2.34255  0.133583  
1 1 1 34 8  7  o 5.89578  0.0645741 34.7633      0.76143  35.4962      1.04177  33.9228      1.11568  5.95739  0.087435  5.82376  0.0957865 
1 1 1 34 8  8  o 6.91506  0.0641302 47.8223      0.886929 48.3361      1.26472  47.3251      1.24415  6.95179  0.0909633 6.87871  0.0904349 
1 1 1 34 8  9  o 6.763    0.070564  45.7433      0.95445  46.4984      1.40353  45.0937      1.3018   6.81816  0.102926  6.71447  0.0969396 
1 1 1 34 8  10 o 13.4551  0.105676  181.089      2.84377  176.424      3.9429   186.147      4.10541  13.2789  0.148464  13.6398  0.150493  
1 1 1 34 8  11 o 14.1078  0.108638  199.091      3.0653   192.283      4.26827  206.343      4.40492  13.8623  0.153952  14.3602  0.153372  
1 1 1 34 8  12 o 20.8868  0.147053  436.524      6.14293  435.559      8.78898  437.446      8.58929  20.857   0.210696  20.9027  0.205458  
1 1 1 34 8  13 o 11.9353  0.101708  142.498      2.42784  141.028      3.55034  143.789      3.32746  11.8714  0.149533  11.9876  0.138787  
1 1 1 34 8  14 o 12.3039  0.104468  151.444      2.57074  149.174      3.7308   153.496      3.54729  12.2087  0.152793  12.3849  0.14321   
1 1 1 34 8  15 o 5.45357  0.0797804 29.7494      0.870175 28.9177      1.23967  30.5572      1.22176  5.37599  0.115297  5.52642  0.110538  
1 1 1 34 8  16 o 4.1986   0.0957701 17.6362      0.804202 19.1673      1.11793  15.994       1.15774  4.37631  0.127725  3.9972   0.144819  
1 1 1 34 8  17 o 5.57261  0.0885338 31.0676      0.986728 28.8957      1.35821  33.4951      1.43592  5.37307  0.12639   5.78501  0.124107  
1 1 1 34 8  18 o 9.36902  0.0855665 87.8197      1.60335  88.8379      2.24113  86.7522      2.29477  9.42106  0.118943  9.30949  0.123249  
1 1 1 34 8  19 o 0.992915 0.302989  0.995743     0.656602 1.37797      0.912718 0.585749     0.94529  1.16701  0.357453  0.933783 0.35881   
1 1 1 34 8  20 o 5.49574  0.0806095 30.2216      0.886018 30.0907      1.22745  30.3641      1.28026  5.48227  0.111947  5.50687  0.116242  
1 1 1 34 8  21 o 2.25751  0.148975  5.1088       0.672624 4.59823      0.938618 5.64778      0.964373 2.13868  0.219438  2.37111  0.203359  
1 1 1 34 8  22 o 9.93059  0.090896  98.7213      1.8053   100.531      2.53989  96.8734      2.56648  10.0162  0.12679   9.83166  0.130521  
1 1 1 34 8  23 o 2.13622  0.172506  4.58349      0.737021 4.78815      1.00047  4.34062      1.08987  2.17965  0.229502  2.07278  0.262902  
1 1 1 34 8  24 o 4.12305  0.0979625 17.0278      0.807808 17.8081      1.10919  16.1465      1.17881  4.2136   0.13162   4.01072  0.146958  
1 1 1 34 8  25 o 1.4929   0.24538   2.25561      0.732659 1.34701      1.00913  3.26844      1.06543  1.16147  0.378717  1.79217  0.297248  
1 1 1 34 8  26 f 7.06491  0.0871057 49.9985      1.23079  49.2093      1.71263  50.8414      1.76998  7.00316  0.122275  7.11795  0.124332  
1 1 1 34 8  27 o 2.17168  0.179435  4.7576       0.779353 5.39592      1.09519  4.10274      1.10929  2.3054   0.237527  2.0049   0.276645  
1 1 1 34 8  28 o 3.16029  0.139082  10.047       0.879081 10.7192      1.28652  9.45834      1.204    3.25439  0.197659  3.05714  0.196915  
1 1 1 34 8  29 o 5.21033  0.108939  27.264       1.13522  28.4634      1.75206  26.3961      1.49038  5.30893  0.165011  5.11805  0.1456    
1 1 1 34 8  30 o 2.81503  0.161485  8.00382      0.909167 6.71147      1.23147  9.55216      1.34792  2.56229  0.240306  3.0622   0.220091  
1 1 1 34 8  31 o 4.26502  0.119318  18.3066      1.01779  18.7054      1.43238  17.8998      1.44647  4.29824  0.166624  4.20294  0.172079  
1 1 1 34 8  32 o 1.48037  0.292493  2.36096      0.835176 2.44579      1.18164  2.27629      1.1806   1.47725  0.392982  1.42583  0.398642  
1 1 1 34 8  33 o 1.07143  0.344034  1.22195      0.83446  1.56933      1.16742  0.859059     1.19321  1.2103   0.407339  1.03198  0.40174   
1 1 1 34 8  34 o 3.20471  0.146328  10.4254      0.937877 10.4041      1.30911  10.4478      1.34431  3.1784   0.205938  3.18268  0.211191  
1 1 1 34 8  35 o 2.54546  0.185264  6.64994      0.943162 4.95081      1.29456  8.57213      1.37692  2.15151  0.300848  2.86498  0.240301  
1 1 1 34 8  36 o 0.75168  0.327126  0.00855795   0.919055 0.791219     1.26567  -0.864434    1.33672  1.0097   0.406976  0.767529 0.357538  
1 1 1 34 8  37 o 0.62242  0.292219  -0.762985    0.932954 -0.335215    1.28481  -1.24013     1.35693  0.80336  0.365267  0.719899 0.343217  
1 1 1 34 8  38 o 1.44692  0.336799  2.48664      0.957271 1.53758      1.36627  3.40179      1.34164  1.14207  0.433531  1.63894  0.409937  
1 1 1 34 8  39 o 1.43575  0.341271  2.55117      0.966871 2.54758      1.35371  2.5549       1.38143  1.34753  0.438636  1.34502  0.443104  
1 1 1 34 8  40 o 0.738531 0.327509  0.120858     0.965944 -0.720895    1.33645  1.04154      1.39771  0.72487  0.343354  0.976686 0.413534  
1 1 1 34 8  41 o 0.56083  0.276203  -1.59377     1.10916  -2.29173     1.57244  -0.902621    1.56476  0.636294 0.316407  0.728436 0.352168  
1 1 1 34 8  42 o 0.829127 0.363748  0.912611     1.15528  0.222798     1.62391  1.61951      1.64389  0.784944 0.374521  0.936482 0.420665  
1 1 1 34 8  43 o 0.610764 0.298173  -0.781008    1.19873  -2.31775     1.6425   0.970332     1.75344  0.600413 0.302195  0.825935 0.392199  
1 1 1 34 9  0  o 26.9586  0.259375  727.454      13.9819  727.454      13.9819  727.454      13.9819  26.965   0.183343  ?        ?         
1 1 1 34 9  1  o 8.70021  0.0852486 75.7046      1.48336  70.6207      2.19312  79.9916      2.0139   8.40218  0.130509  8.94267  0.112601  
1 1 1 34 9  2  o 8.59861  0.0711124 73.9436      1.22294  72.5734      1.73907  75.2841      1.72007  8.5181   0.102081  8.67578  0.0991307 
1 1 1 34 9  3  o 25.0691  0.169069  628.823      8.4768   631.247      12.1622  626.533      11.821   25.1096  0.242183  25.0164  0.236266  
1 1 1 34 9  4  o 6.58434  0.0638422 43.3572      0.840717 43.6594      1.23697  43.0977      1.14612  6.60693  0.0936118 6.56436  0.0872989 
1 1 1 34 9  5  o 9.0547   0.0775835 81.9978      1.40499  81.4368      1.97502  82.5726      1.99911  9.0231   0.109443  9.08579  0.110013  
1 1 1 34 9  6  o 7.309    0.0684029 53.4267      0.999914 51.8398      1.44001  54.9043      1.38953  7.19922  0.100011  7.40905  0.0937722 
1 1 1 34 9  7  o 11.8932  0.0887949 141.473      2.11211  140.302      3.00608  142.614      2.96824  11.8428  0.126916  11.9401  0.124297  
1 1 1 34 9  8  o 6.88266  0.0677015 47.3758      0.931933 46.9946      1.31416  47.7614      1.32178  6.85455  0.0958603 6.91025  0.0956389 
1 1 1 34 9  9  o 8.60188  0.0806368 74.0037      1.38726  72.0554      2.01131  75.7716      1.91592  8.48712  0.118492  8.70343  0.110067  
1 1 1 34 9  10 o 10.5942  0.0886524 112.26       1.87841  113.812      2.8248   111.031      2.51505  10.6659  0.132422  10.5352  0.119364  
1 1 1 34 9  11 o 16.6665  0.122395  277.887      4.07981  274.334      5.64492  281.772      5.90317  16.5564  0.170476  16.7789  0.17591   
1 1 1 34 9  12 f 13.577   0.107777  184.399      2.92657  181.734      4.23735  186.829      4.04681  13.4759  0.15722   13.6641  0.148082  
1 1 1 34 9  13 o 12.1823  0.103905  148.46       2.53159  148.71       3.65911  148.23       3.50619  12.1902  0.150085  12.1708  0.144041  
1 1 1 34 9  14 o 11.7727  0.0952329 138.644      2.24229  137.939      3.20153  139.324      3.14148  11.7405  0.136346  11.7995  0.13312   
1 1 1 34 9  15 o 7.24908  0.0766671 52.5632      1.11153  53.0592      1.56768  52.0617      1.57624  7.28223  0.107637  7.2134   0.109258  
1 1 1 34 9  16 o 7.46386  0.0836573 55.7297      1.24881  54.5358      1.73904  57.0008      1.79443  7.38217  0.117787  7.54711  0.118882  
1 1 1 34 9  17 o 7.20742  0.091257  51.9726      1.31545  52.8108      1.84383  51.1036      1.87729  7.26361  0.126922  7.145    0.131371  
1 1 1 34 9  18 o 1.47954  0.21839   2.1962       0.646234 1.96963      0.902125 2.43502      0.926176 1.37087  0.332068  1.52746  0.313947  
1 1 1 34 9  19 o 10.1736  0.0911472 103.573      1.85459  105.557      2.70827  101.82       2.54493  10.2667  0.131895  10.084   0.126187  
1 1 1 34 9  20 o 1.34946  0.245552  1.88938      0.638224 1.00813      0.867395 2.9297       0.942438 1.03567  0.351115  1.70499  0.276377  
1 1 1 34 9  21 o 7.60758  0.0817165 57.9196      1.24333  59.0806      1.79659  56.8526      1.72242  7.68033  0.116961  7.53438  0.114304  
1 1 1 34 9  22 o 7.13251  0.0830475 50.9207      1.18467  52.8507      1.64905  48.8622      1.70302  7.26345  0.113517  6.98305  0.12194   
1 1 1 34 9  23 f 5.58003  0.0845501 31.1712      0.943585 30.9508      1.28273  31.4311      1.39293  5.55756  0.115404  5.59957  0.124378  
1 1 1 34 9  24 o 3.66758  0.107482  13.4795      0.788402 14.2638      1.09445  12.6334      1.13669  3.7695   0.145172  3.54603  0.160276  
1 1 1 34 9  25 o 3.76211  0.11249   14.1904      0.8464   13.1897      1.17804  15.2581      1.21689  3.62196  0.162624  3.89644  0.156154  
1 1 1 34 9  26 o 3.68106  0.109019  13.5885      0.802614 15.2958      1.12886  11.843       1.14137  3.9013   0.144678  3.43012  0.166375  
1 1 1 34 9  27 o 1.33243  0.288697  1.88523      0.747655 1.96202      1.0596   1.8091       1.0551   1.35312  0.37745   1.30451  0.380859  
1 1 1 34 9  28 o 4.9784   0.103667  24.8697      1.03219  25.0002      1.4795   24.7458      1.44075  4.98227  0.148477  4.95759  0.145308  
1 1 1 34 9  29 o 4.95155  0.111617  24.6275      1.10536  23.4985      1.64335  25.5604      1.49376  4.82225  0.170392  5.03571  0.148317  
1 1 1 34 9  30 o 2.28006  0.196204  5.27801      0.894715 5.06638      1.27665  5.48229      1.25428  2.21461  0.288233  2.30782  0.271746  
1 1 1 34 9  31 o 0.743805 0.316381  0.0724641    0.824494 0.419152     1.13604  -0.313381    1.19848  0.92886  0.38145   0.816162 0.363077  
1 1 1 34 9  32 o 0.491211 0.241931  -1.72797     0.843865 -2.1273      1.21488  -1.35568     1.17303  0.611991 0.299074  0.667937 0.318602  
1 1 1 34 9  33 o 2.06023  0.206839  4.35715      0.85227  3.65847      1.19844  5.07205      1.21227  1.82327  0.341284  2.20042  0.275462  
1 1 1 34 9  34 o 3.60333  0.135883  13.1621      0.979258 11.8654      1.34745  14.6136      1.42561  3.39553  0.198415  3.77329  0.188909  
1 1 1 34 9  35 o 1.73326  0.270547  3.17797      0.937854 4.57507      1.28919  1.60744      1.36687  2.06072  0.312801  1.22014  0.438492  
1 1 1 34 9  36 o 1.50416  0.313236  2.54558      0.911235 2.32797      1.27423  2.77335      1.30363  1.391    0.421613  1.51639  0.417041  
1 1 1 34 9  37 o 1.40319  0.345534  2.33012      0.964549 1.64184      1.30105  3.17006      1.43726  1.17887  0.427393  1.57394  0.439776  
1 1 1 34 9  38 o 1.88197  0.243364  3.83974      0.916012 3.7649       1.30271  3.91294      1.28828  1.74386  0.383883  1.78953  0.37228   
1 1 1 34 9  39 o 1.84383  0.276435  3.87345      1.0194   4.73919      1.37902  2.83042      1.51366  1.93561  0.369463  1.38268  0.463826  
1 1 1 34 9  40 o 0.673383 0.314623  -0.413075    1.04492  0.319522     1.47355  -1.15407     1.48197  0.865233 0.392806  0.712342 0.3441    
1 1 1 34 9  41 o 1.49766  0.384044  3.25503      1.15576  2.29245      1.59626  4.31571      1.67562  1.13195  0.456717  1.55213  0.486145  
1 1 1 34 9  42 o 0.714596 0.334008  0.157223     1.17909  1.64085      1.6234   -1.49929     1.71538  0.925714 0.416814  0.667276 0.331629  
1 1 1 34 9  43 o 0.599386 0.293789  -0.809613    1.19454  -0.610992    1.65437  -1.02596     1.72661  0.682457 0.33631   0.666694 0.331528  
1 1 1 34 10 0  o 13.1823  0.133772  173.858      3.52602  173.858      3.52602  173.858      3.52602  13.1839  0.0945685 ?        ?         
1 1 1 34 10 1  o 17.9119  0.122813  320.935      4.39963  320.848      6.15835  321.026      6.2877   17.9067  0.171956  17.9115  0.175521  
1 1 1 34 10 2  o 21.4597  0.148733  460.728      6.3835   456.926      8.86509  464.823      9.19946  21.3663  0.207455  21.5495  0.213449  
1 1 1 34 10 3  o 12.7073  0.0918705 161.505      2.33486  159.686      3.27175  163.393      3.33308  12.6345  0.129477  12.7802  0.1304    
1 1 1 34 10 4  o 5.71763  0.0660219 32.6944      0.754978 33.0446      1.03685  32.2991      1.10148  5.74795  0.0901928 5.68266  0.0969162 
1 1 1 34 10 5  o 11.2008  0.0882537 125.48       1.97703  126.886      2.86168  124.196      2.73454  11.2624  0.127046  11.1425  0.122707  
1 1 1 34 10 6  o 12.0875  0.0915901 146.136      2.2142   142.503      3.10736  149.882      3.15591  11.9353  0.130176  12.2404  0.128913  
1 1 1 34 10 7  o 8.4425   0.0764159 71.2851      1.29028  69.0066      1.85483  73.4215      1.79606  8.30585  0.111658  8.56757  0.104818  
1 1 1 34 10 8  o 3.74382  0.0830509 14.0185      0.621855 16.1223      0.885823 11.9742      0.873186 4.01468  0.110323  3.45973  0.126193  
1 1 1 34 10 9  o 8.62271  0.0823778 74.3638      1.42064  73.2462      2.11015  75.2902      1.92128  8.55675  0.123303  8.67565  0.110728  
1 1 1 34 10 10 o 7.1162   0.0733558 50.6477      1.04403  51.6096      1.54246  49.8344      1.4183   7.18286  0.107371  7.05838  0.100469  
1 1 1 34 10 11 o 10.9509  0.088009  119.95       1.92756  121.439      2.92426  118.806      2.56325  11.0171  0.132714  10.8976  0.117606  
1 1 1 34 10 12 o 8.165    0.0794069 66.6805      1.29671  64.4877      1.86124  68.7486      1.8076   8.02872  0.115911  8.28992  0.109024  
1 1 1 34 10 13 o 11.7161  0.100153  137.318      2.34681  137.521      3.36047  137.124      3.27883  11.7226  0.143334  11.7058  0.140051  
1 1 1 34 10 14 o 6.07906  0.0810366 36.9654      0.985253 36.1713      1.32613  37.9438      1.47198  6.01267  0.110278  6.15794  0.119518  
1 1 1 34 10 15 o 6.5961   0.0789066 43.5218      1.04095  42.4835      1.45064  44.624       1.4946   6.51595  0.111315  6.67807  0.111903  
1 1 1 34 10 16 o 12.6436  0.101443  159.952      2.56521  159.567      3.69129  160.312      3.5674   12.6245  0.146196  12.6545  0.140954  
1 1 1 34 10 17 o 11.8215  0.100285  139.838      2.37104  140.106      3.39774  139.583      3.3103   11.8288  0.143621  11.8071  0.140183  
1 1 1 34 10 18 o 7.16234  0.0771536 51.3216      1.1052   50.119       1.51265  52.6988      1.61871  7.07646  0.106879  7.25602  0.111543  
1 1 1 34 10 19 o 3.28401  0.105336  10.7955      0.69185  10.3605      0.954837 11.2764      1.00385  3.21557  0.148471  3.35464  0.149621  
1 1 1 34 10 20 o 5.47456  0.0813233 29.9921      0.890418 29.2327      1.21303  30.8793      1.31116  5.40308  0.112254  5.55277  0.118064  
1 1 1 34 10 21 o 5.77547  0.0822375 33.3837      0.949921 32.3761      1.29861  34.5434      1.39315  5.68544  0.114205  5.87228  0.118621  
1 1 1 34 10 22 o 5.44017  0.0841587 29.6253      0.915675 28.4482      1.23002  31.0887      1.37141  5.3286   0.115417  5.56967  0.123114  
1 1 1 34 10 23 o 0.84141  0.304248  0.597997     0.658939 0.653217     0.889931 0.53098      0.980384 0.930382 0.350851  0.926042 0.363403  
1 1 1 34 10 24 o 4.65192  0.096653  21.679       0.899243 22.5752      1.22055  20.615       1.32992  4.74383  0.128646  4.53105  0.146757  
1 1 1 34 10 25 f 3.18691  0.119807  10.1875      0.76363  10.4373      1.0579   9.91563      1.10341  3.22152  0.164192  3.13867  0.175777  
1 1 1 34 10 26 o 5.96413  0.0911718 35.6453      1.08752  36.9776      1.54111  34.3236      1.53488  6.06866  0.126973  5.84601  0.131276  
1 1 1 34 10 27 o 5.35616  0.0973431 28.7681      1.04277  29.7948      1.46238  27.7061      1.48733  5.44418  0.134307  5.24834  0.141696  
1 1 1 34 10 28 o 3.16628  0.137499  10.0889      0.870717 13.0273      1.34419  7.96465      1.14291  3.58803  0.187316  2.80246  0.203912  
1 1 1 34 10 29 o 2.64592  0.162582  7.06695      0.860359 6.65765      1.22129  7.47019      1.21222  2.55402  0.239092  2.70879  0.223756  
1 1 1 34 10 30 o 2.24571  0.201382  5.1252       0.904493 5.49821      1.26621  4.73653      1.29249  2.31002  0.274068  2.13723  0.302376  
1 1 1 34 10 31 o 2.32801  0.17853   5.50643      0.831237 5.26881      1.16735  5.75084      1.18392  2.25792  0.258501  2.36122  0.250701  
1 1 1 34 10 32 o 1.07297  0.35361   1.20678      0.879763 0.164065     1.22189  2.32918      1.26772  0.899277 0.383911  1.43478  0.41702   
1 1 1 34 10 33 o 1.36377  0.310951  2.04527      0.829611 3.12645      1.17832  0.982518     1.16824  1.67066  0.362817  1.05281  0.400522  
1 1 1 34 10 34 o 0.539164 0.260897  -1.303       0.866178 -1.17217     1.20351  -1.44358     1.24761  0.69231  0.326944  0.680242 0.325447  
1 1 1 34 10 35 o 1.73359  0.267173  3.18631      0.926336 3.53136      1.29512  2.8249       1.32548  1.74841  0.380954  1.54191  0.418962  
1 1 1 34 10 36 o 1.03325  0.359463  1.16075      0.912045 1.12331      1.26728  1.20098      1.31362  1.07081  0.414604  1.09483  0.422486  
1 1 1 34 10 37 f 3.17207  0.163619  10.3953      1.03802  9.55994      1.41201  11.3777      1.53119  2.99063  0.236073  3.26393  0.234563  
1 1 1 34 10 38 o 2.68998  0.179181  7.58494      0.963987 7.23336      1.33427  7.96886      1.39428  2.56277  0.260318  2.69111  0.259053  
1 1 1 34 10 39 f 1.28393  0.363696  2.1357       0.976426 3.44812      1.37971  0.81883      1.38204  1.57544  0.427167  0.954719 0.40796   
1 1 1 34 10 40 o 0.934342 0.373767  1.07725      1.05617  0.785787     1.47676  1.38244      1.51113  0.920055 0.406865  1.01525  0.42993   
1 1 1 34 10 41 o 0.569417 0.280745  -1.62657     1.15651  -3.82715     1.68589  0.329506     1.58947  0.583075 0.294783  0.841205 0.391093  
1 1 1 34 10 42 o 0.982977 0.4024    1.8853       1.26028  -0.522417    1.65803  5.17984      1.93949  0.711917 0.348252  1.39582  0.519643  
1 1 1 34 10 43 o 1.38809  0.423711  4.00695      1.28393  4.79749      1.85118  3.27417      1.78228  1.18565  0.48692   0.98878  0.441232  
1 1 1 34 11 0  o 26.1923  0.247287  686.661      12.9514  686.661      12.9514  686.661      12.9514  26.1982  0.174801  ?        ?         
1 1 1 34 11 1  o 1.26647  0.177743  1.60503      0.450214 1.40449      0.642604 1.79836      0.630953 1.16085  0.279679  1.31863  0.248351  
1 1 1 34 11 2  o 10.1757  0.0836026 103.56       1.70143  99.7231      2.27603  108.42       2.56156  9.98476  0.113975  10.4108  0.123024  
1 1 1 34 11 3  o 5.14968  0.061619  26.5213      0.634636 25.7551      0.876509 27.3657      0.920097 5.07454  0.0863635 5.23079  0.0879502 
1 1 1 34 11 4  o 6.93552  0.0630773 48.1056      0.874948 46.9563      1.22496  49.3027      1.25015  6.85187  0.0893891 7.02098  0.0890293 
1 1 1 34 11 5  f 21.104   0.153868  445.61       6.49447  438.109      8.93644  454.007      9.45457  20.9205  0.213581  21.2958  0.221982  
1 1 1 34 11 6  o 13.9157  0.10454   193.695      2.9095   191.466      4.17884  195.792      4.05335  13.8335  0.151041  13.9892  0.144874  
1 1 1 34 11 7  o 15.8465  0.121572  251.199      3.85296  245.307      5.417    257.231      5.48138  15.6567  0.172993  16.0328  0.170943  
1 1 1 34 11 8  o 9.13284  0.082662  83.423       1.50988  86.6494      2.20436  80.5715      2.07232  9.30691  0.118426  8.97465  0.115454  
1 1 1 34 11 9  o 6.77725  0.0716306 45.9374      0.970917 45.9184      1.45883  45.9525      1.30087  6.77525  0.107659  6.77799  0.0959631 
1 1 1 34 11 10 f 7.35179  0.0713983 54.0566      1.04981  53.9255      1.4891   54.1862      1.48025  7.34231  0.101406  7.36006  0.100559  
1 1 1 34 11 11 f 0.743781 0.282445  0.386217     0.580092 0.0783194    0.85539  0.648396     0.789334 0.776744 0.325923  0.9047   0.332415  
1 1 1 34 11 12 o 11.816   0.102418  139.668      2.42034  139.455      3.53498  139.855      3.3208   11.8046  0.14973   11.822   0.14045   
1 1 1 34 11 13 o 7.68726  0.0784354 59.1086      1.20591  59.0442      1.65713  59.1811      1.75817  7.68221  0.107855  7.69089  0.114302  
1 1 1 34 11 14 o 5.19865  0.0796392 27.0339      0.828032 26.0537      1.13257  28.1595      1.21366  5.10281  0.110976  5.30493  0.114389  
1 1 1 34 11 15 o 9.9238   0.0883983 98.5224      1.75449  101.396      2.51251  95.7876      2.45108  10.0654  0.124809  9.78308  0.125272  
1 1 1 34 11 16 o 11.4821  0.0942265 131.909      2.16384  129.636      3.05574  134.195      3.06455  11.3797  0.134263  11.5782  0.132341  
1 1 1 34 11 17 o 13.5099  0.110875  182.669      2.99582  185.132      4.22908  180.189      4.24441  13.595   0.155538  13.4119  0.158233  
1 1 1 34 11 18 f 2.033    0.160054  4.14157      0.650779 3.95208      0.908517 4.34127      0.932637 1.98377  0.228987  2.07934  0.224263  
1 1 1 34 11 19 o 3.24024  0.105277  10.5108      0.682243 10.7559      0.94228  10.2409      0.989097 3.27624  0.143805  3.19633  0.154724  
1 1 1 34 11 20 o 3.32105  0.106142  11.0433      0.705006 11.3414      0.993949 10.7415      1.00014  3.36357  0.147752  3.27312  0.15278   
1 1 1 34 11 21 o 7.84827  0.0835812 61.652       1.31193  60.8438      1.798    62.5722      1.91858  7.79341  0.115354  7.90259  0.121389  
1 1 1 34 11 22 o 6.17146  0.0825912 38.1256      1.01942  39.9365      1.38714  35.9991      1.50319  6.31379  0.10985   5.99283  0.125416  
1 1 1 34 11 23 o 2.35271  0.148807  5.55667      0.700198 6.46562      0.964814 4.54522      1.01777  2.5347   0.190321  2.12125  0.239898  
1 1 1 34 11 24 o 1.04673  0.312642  1.13095      0.70413  0.57216      0.949984 1.81221      1.04893  0.924704 0.358775  1.31209  0.378676  
1 1 1 34 11 25 o 1.69119  0.20423   2.8869       0.690784 3.25225      0.950763 2.4784       1.00535  1.78934  0.265674  1.52595  0.338361  
1 1 1 34 11 26 o 5.35257  0.0964131 28.7215      1.03212  27.9983      1.41088  29.5541      1.51381  5.2788   0.133637  5.42232  0.139591  
1 1 1 34 11 27 o 4.17202  0.108436  17.468       0.904793 17.5166      1.25592  17.4156      1.30461  4.17092  0.150556  4.15765  0.156893  
1 1 1 34 11 28 f 2.08534  0.191568  4.40521      0.798968 3.16603      1.15807  5.53077      1.10371  1.71406  0.349922  2.32855  0.236995  
1 1 1 34 11 29 f 3.01227  0.14584   9.14583      0.87862  8.75796      1.24162  9.53488      1.2435   2.93482  0.211532  3.06426  0.202903  
1 1 1 34 11 30 o 1.77471  0.241779  3.22648      0.858175 3.28732      1.23763  3.17014      1.191    1.73462  0.367914  1.7053   0.360345  
1 1 1 34 11 31 o 1.20512  0.32299   1.58281      0.794503 1.70809      1.10546  1.44895      1.14265  1.25464  0.395245  1.18297  0.402994  
1 1 1 34 11 32 o 0.637535 0.290935  -0.479619    0.83155  -0.199214    1.19114  -0.746199    1.1614   0.826535 0.365471  0.735095 0.338887  
1 1 1 34 11 33 o 1.59355  0.260192  2.65419      0.829257 2.97426      1.18938  2.35141      1.15679  1.62231  0.373976  1.43579  0.391961  
1 1 1 34 11 34 o 3.43002  0.139825  11.9394      0.959203 11.5014      1.34719  12.3898      1.36605  3.34022  0.201662  3.46925  0.196879  
1 1 1 34 11 35 o 1.44742  0.323748  2.36213      0.913534 1.72387      1.25752  3.07537      1.32934  1.23213  0.422717  1.60897  0.411452  
1 1 1 34 11 36 o 4.69823  0.122052  22.4293      1.14685  22.7091      1.58102  22.1187      1.66611  4.69384  0.168414  4.62243  0.18022   
1 1 1 34 11 37 o 1.09624  0.366824  1.40919      0.946742 1.24137      1.33072  1.58121      1.34722  1.08155  0.423597  1.15998  0.432844  
1 1 1 34 11 38 o 1.1143   0.359548  1.53007      0.910605 2.52072      1.25843  0.441254     1.31931  1.37505  0.419433  0.902119 0.392257  
1 1 1 34 11 39 o 0.794862 0.339365  0.394802     0.954939 -0.625295    1.30505  1.57045      1.40103  0.734478 0.344975  1.09359  0.432759  
1 1 1 34 11 40 o 0.607126 0.293478  -1.02793     1.08518  -0.881608    1.63146  -1.14404     1.45329  0.753337 0.363235  0.694342 0.336328  
1 1 1 34 11 41 o 1.1016   0.4037    1.97659      1.16352  0.677682     1.67027  3.20109      1.62172  0.876932 0.405085  1.27936  0.475393  
1 1 1 34 11 42 o 0.822796 0.36722   1.00045      1.23494  0.925045     1.69699  1.08534      1.80053  0.827103 0.389903  0.844426 0.3993    
1 1 1 34 11 43 o 0.849407 0.375008  1.6498       1.2476   3.17375      1.81773  0.292503     1.71546  0.943684 0.430509  0.703921 0.346721  
1 1 1 34 12 0  o 29.7357  0.286055  885.245      17.0086  885.245      17.0086  885.245      17.0086  29.7444  0.202192  ?        ?         
1 1 1 34 12 1  o 8.49531  0.0707088 72.1782      1.20139  71.6708      1.67007  72.7224      1.72952  8.46496  0.0986461 8.52678  0.101417  
1 1 1 34 12 2  o 6.10873  0.0628853 37.3198      0.768299 36.7656      1.08388  37.8796      1.08922  6.06293  0.0893858 6.15411  0.0884953 
1 1 1 34 12 3  o 4.73213  0.0685557 22.3953      0.648828 22.0213      0.891539 22.8165      0.946047 4.69222  0.0950019 4.77614  0.0990389 
1 1 1 34 12 4  o 6.06256  0.067821  36.7585      0.822338 36.4602      1.26895  36.9745      1.07975  6.03747  0.105089  6.08012  0.0887935 
1 1 1 34 12 5  o 5.03022  0.0681738 25.3059      0.685859 24.649       0.982969 25.929       0.957436 4.9642   0.0990057 5.09153  0.0940225 
1 1 1 34 12 6  o 3.27105  0.078823  10.7014      0.515668 10.2995      0.724102 11.1149      0.734541 3.20879  0.112831  3.33341  0.110179  
1 1 1 34 12 7  f 10.0391  0.0886886 100.803      1.78071  100.568      2.60415  101.01       2.44042  10.0262  0.129867  10.0485  0.121432  
1 1 1 34 12 8  o 12.103   0.0921979 146.516      2.23174  145.535      3.156    147.496      3.15631  12.061   0.130835  12.142   0.129975  
1 1 1 34 12 9  o 3.08182  0.0908466 9.49984      0.559945 8.64424      0.792525 10.3527      0.791241 2.93935  0.134813  3.21686  0.122984  
1 1 1 34 12 10 o 7.40812  0.0748266 54.8896      1.10865  55.2879      1.61753  54.5367      1.52251  7.43424  0.108789  7.3837   0.103099  
1 1 1 34 12 11 o 6.11552  0.079377  37.4074      0.970863 38.4016      1.39798  36.4812      1.34933  6.19558  0.11282   6.03871  0.111723  
1 1 1 34 12 12 o 6.30547  0.0803824 39.7688      1.0137   42.8619      1.47123  36.9732      1.39869  6.5453   0.112388  6.079    0.115043  
1 1 1 34 12 13 o 3.50172  0.095876  12.2671      0.671461 11.5452      0.929496 13.0549      0.971045 3.39639  0.136836  3.61168  0.134431  
1 1 1 34 12 14 o 2.94261  0.112466  8.66446      0.661887 9.00084      0.925611 8.31247      0.94685  2.99835  0.154353  2.88118  0.164316  
1 1 1 34 12 15 o 10.7969  0.093939  116.63       2.02849  117.621      2.86222  115.63       2.87527  10.84    0.132021  10.7477  0.133762  
1 1 1 34 12 16 o 3.19283  0.109549  10.2019      0.699544 9.70266      0.995788 10.6884      0.982947 3.11234  0.159974  3.26693  0.150439  
1 1 1 34 12 17 o 3.18477  0.108824  10.1516      0.693159 9.93664      0.973384 10.3728      0.987313 3.14944  0.154533  3.21786  0.153412  
1 1 1 34 12 18 o 3.3834   0.103176  11.4582      0.698173 10.9638      0.948256 12.0436      1.03175  3.30814  0.143322  3.46697  0.148797  
1 1 1 34 12 19 o 12.2746  0.0971888 150.817      2.38591  148.324      3.33573  153.429      3.414    12.1668  0.137084  12.3742  0.137949  
1 1 1 34 12 20 o 1.62183  0.204218  2.64345      0.662414 2.53675      0.903216 2.76764      0.974422 1.55887  0.300424  1.62809  0.310399  
1 1 1 34 12 21 o 8.53629  0.0809404 72.9349      1.38186  74.3323      1.95359  71.5356      1.95491  8.61388  0.113398  8.44997  0.115675  
1 1 1 34 12 22 o 2.68402  0.128582  7.22278      0.690233 7.98506      0.928846 6.28273      1.03148  2.81969  0.164707  2.49806  0.206456  
1 1 1 34 12 23 o 1.52516  0.217388  2.34635      0.663102 2.76235      0.921213 1.89905      0.95525  1.62477  0.294309  1.3385   0.352091  
1 1 1 34 12 24 o 3.84142  0.103297  14.789       0.793611 14.4297      1.06142  15.2446      1.19511  3.79101  0.139992  3.89503  0.153415  
1 1 1 34 12 25 o 4.30359  0.095804  18.5612      0.824602 19.1008      1.1376   17.9638      1.19699  4.36166  0.13041   4.22834  0.141543  
1 1 1 34 12 26 o 6.36721  0.0930356 40.6401      1.18475  39.6244      1.60272  41.8637      1.75918  6.28054  0.127594  6.4535   0.136296  
1 1 1 34 12 27 o 4.43129  0.10221   19.7013      0.905841 19.6401      1.25437  19.768       1.30951  4.41749  0.141978  4.43066  0.147778  
1 1 1 34 12 28 o 1.6561   0.241653  2.80035      0.800405 3.27076      1.14216  2.34639      1.122    1.74591  0.339201  1.46659  0.379651  
1 1 1 34 12 29 o 1.6149   0.250572  2.67224      0.809296 2.95561      1.15633  2.40017      1.13306  1.64802  0.360724  1.47991  0.380703  
1 1 1 34 12 30 o 4.93307  0.115282  24.4852      1.13739  22.6226      1.71094  25.9602      1.52251  4.72053  0.181223  5.0687   0.150188  
1 1 1 34 12 31 o 3.63284  0.12466   13.308       0.905739 13.669       1.26552  12.9288      1.29687  3.66779  0.172518  3.56394  0.181943  
1 1 1 34 12 32 o 1.28938  0.332925  1.83878      0.864221 2.74495      1.21947  0.924481     1.22493  1.55659  0.391729  1.05373  0.407696  
1 1 1 34 12 33 o 1.16924  0.33843   1.5176       0.836623 0.493079     1.1861   2.53205      1.18025  0.943758 0.389034  1.4856   0.391633  
1 1 1 34 12 34 o 1.60935  0.291117  2.8276       0.902642 2.3873       1.25291  3.30273      1.30153  1.43035  0.414204  1.69193  0.391994  
1 1 1 34 12 35 o 2.4332   0.188543  6.10638      0.917523 6.43151      1.29694  5.78061      1.29821  2.46152  0.263442  2.32539  0.279138  
1 1 1 34 12 36 o 2.60541  0.188796  7.06514      0.983785 8.33756      1.37451  5.72866      1.40869  2.79198  0.246153  2.27133  0.310101  
1 1 1 34 12 37 o 1.35223  0.346915  2.19206      0.94276  2.90864      1.33666  1.48272      1.32989  1.50295  0.425462  1.13024  0.428107  
1 1 1 34 12 38 o 1.80726  0.266672  3.65378      0.963895 3.87033      1.34676  3.42635      1.38016  1.7285   0.397608  1.59278  0.425167  
1 1 1 34 12 39 o 1.37021  0.344537  2.38762      0.943943 2.62607      1.27403  2.09742      1.40551  1.35846  0.423589  1.20299  0.443422  
1 1 1 34 12 40 o 1.40543  0.377357  2.82372      1.08326  5.02821      1.61018  1.00097      1.46414  1.78571  0.450573  0.929102 0.40854   
1 1 1 34 12 41 o 0.75656  0.343313  0.398393     1.12277  1.1465       1.62886  -0.27882     1.54976  0.899236 0.409505  0.745914 0.358271  
1 1 1 34 12 42 o 0.892104 0.382888  1.38146      1.22682  1.18356      1.68344  1.6056       1.79158  0.859998 0.400855  0.903468 0.41818   
1 1 1 34 13 0  o 2.2245   0.163441  5.02954      0.718125 5.02954      0.718125 5.02954      0.718125 2.23376  0.114347  ?        ?         
1 1 1 34 13 1  o 17.712   0.128745  313.833      4.56066  313.233      6.59841  314.383      6.31069  17.6913  0.186487  17.7244  0.178023  
1 1 1 34 13 2  o 12.3094  0.0948958 151.552      2.33622  149.483      3.39044  153.423      3.22368  12.2236  0.138684  12.384   0.130155  
1 1 1 34 13 3  o 30.3984  0.216536  925.082      13.1647  931.304      18.7338  919.012      18.5039  30.4833  0.307279  30.2818  0.305528  
1 1 1 34 13 4  o 1.58075  0.136453  2.4999       0.431398 2.18529      0.589031 2.86391      0.63358  1.47756  0.199325  1.69159  0.187273  
1 1 1 34 13 5  o 16.9899  0.128869  288.777      4.37894  284.132      6.03097  293.956      6.3683   16.8495  0.178966  17.1377  0.185798  
1 1 1 34 13 6  o 7.87869  0.0760986 62.0831      1.19911  62.6925      1.75168  61.5457      1.64496  7.9166   0.110633  7.84398  0.104855  
1 1 1 34 13 7  o 14.6928  0.112515  215.952      3.30631  222.255      4.92689  210.788      4.45961  14.9027  0.165302  14.5139  0.153633  
1 1 1 34 13 8  o 16.1373  0.113277  260.508      3.65598  261.251      5.25844  259.814      5.08653  16.1571  0.162728  16.113   0.157839  
1 1 1 34 13 9  o 15.5393  0.113356  241.563      3.52292  241.661      4.98641  241.464      4.97793  15.5394  0.160444  15.533   0.160237  
1 1 1 34 13 10 o 3.26962  0.096209  10.6936      0.629133 11.8317      0.923457 9.70792      0.859445 3.4387   0.134274  3.11478  0.137962  
1 1 1 34 13 11 o 7.27246  0.0800893 52.9013      1.16489  54.3026      1.70699  51.6798      1.59366  7.36718  0.115851  7.18721  0.110868  
1 1 1 34 13 12 o 6.07415  0.0768581 36.9047      0.933696 37.6507      1.33116  36.1824      1.30998  6.13444  0.108499  6.01362  0.108918  
1 1 1 34 13 13 o 6.85365  0.0739512 46.9849      1.01367  47.1655      1.43713  46.8062      1.42999  6.86589  0.104657  6.83969  0.104536  
1 1 1 34 13 14 o 8.3448   0.0796069 69.6596      1.32861  71.6861      1.92972  67.8333      1.83195  8.4638   0.113999  8.23335  0.111252  
1 1 1 34 13 15 o 6.33266  0.0779261 40.1174      0.986959 38.7205      1.38599  41.5545      1.40576  6.22022  0.11141   6.44394  0.109076  
1 1 1 34 13 16 o 4.3086   0.0870708 18.5737      0.750307 19.1747      1.10474  18.0591      1.02225  4.37646  0.126213  4.24746  0.120336  
1 1 1 34 13 17 o 11.0328  0.0920059 121.805      2.03016  119.59       2.80763  124.232      2.93902  10.9284  0.128456  11.1381  0.131936  
1 1 1 34 13 18 o 4.47961  0.0869899 20.082       0.779361 19.7433      1.0607   20.4794      1.14894  4.44021  0.119443  4.52181  0.127045  
1 1 1 34 13 19 o 5.7322   0.0842257 32.8841      0.965596 32.7906      1.33682  32.986       1.39624  5.72195  0.116815  5.73861  0.121653  
1 1 1 34 13 20 o 3.13715  0.109985  9.85702      0.690076 9.96062      0.927947 9.72882      1.03219  3.15164  0.147216  3.11359  0.165755  
1 1 1 34 13 21 o 5.06565  0.0833939 25.6869      0.844889 27.1054      1.19241  24.2567      1.19732  5.20125  0.114627  4.91974  0.121685  
1 1 1 34 13 22 o 2.32649  0.145212  5.4318       0.675668 5.7039       0.920247 5.11355      0.995229 2.38074  0.193269  2.25199  0.220967  
1 1 1 34 13 23 o 2.00029  0.166851  4.02288      0.6675   4.48541      0.904503 3.46975      0.98914  2.10846  0.214494  1.8499   0.267349  
1 1 1 34 13 24 o 3.67315  0.103311  13.5231      0.758954 14.1298      1.03673  12.8225      1.11408  3.7513   0.138183  3.57157  0.155966  
1 1 1 34 13 25 o 5.03389  0.0924918 25.395       0.931187 24.6808      1.28663  26.1806      1.34941  4.95745  0.129767  5.10546  0.132153  
1 1 1 34 13 26 o 2.34976  0.156944  5.56119      0.737562 5.50728      1.00273  5.62474      1.0887   2.33112  0.215075  2.3534   0.231304  
1 1 1 34 13 27 o 2.53905  0.154258  6.49786      0.783336 4.95078      1.08583  8.17685      1.13117  2.20259  0.246489  2.8406   0.199108  
1 1 1 34 13 28 o 5.52056  0.101945  30.5899      1.12559  29.0679      1.55545  32.2631      1.63088  5.37116  0.144797  5.65888  0.144099  
1 1 1 34 13 29 o 2.74964  0.156381  7.63433      0.859985 7.10561      1.21758  8.16066      1.21483  2.63758  0.230814  2.83064  0.214586  
1 1 1 34 13 30 o 1.14776  0.344794  1.4185       0.854746 0.246383     1.2574   2.42539      1.16542  0.93116  0.393142  1.47582  0.389215  
1 1 1 34 13 31 f 2.335    0.185274  5.55867      0.86523  5.41639      1.21547  5.70483      1.23193  2.28152  0.266374  2.34265  0.262936  
1 1 1 34 13 32 o 2.51143  0.178092  6.43222      0.894531 6.00903      1.24271  6.88727      1.28865  2.40107  0.258783  2.57391  0.25033   
1 1 1 34 13 33 o 1.19469  0.342544  1.59765      0.861075 2.01661      1.23727  1.20413      1.19911  1.32612  0.418221  1.10505  0.409151  
1 1 1 34 13 34 o 0.977525 0.350389  0.949845     0.872275 0.61124      1.21844  1.30583      1.24931  0.969592 0.396082  1.13287  0.417992  
1 1 1 34 13 35 o 1.75822  0.257452  3.2841       0.905312 4.5614       1.27381  1.9804       1.2869   2.04455  0.311513  1.29474  0.427675  
1 1 1 34 13 36 o 2.34926  0.208846  5.80774      0.981266 4.63776      1.36945  7.04232      1.40674  1.9885   0.357334  2.5399   0.27693   
1 1 1 34 13 37 o 2.76542  0.17065   7.95727      0.943835 8.30121      1.32546  7.60349      1.34431  2.77296  0.238998  2.64085  0.254521  
1 1 1 34 13 38 o 0.769852 0.331504  0.282959     0.925069 -0.797832    1.27075  1.50142      1.34926  0.711503 0.335992  1.08804  0.426456  
1 1 1 34 13 39 f 0.678827 0.308922  -0.14693     0.923538 -0.488157    1.24314  0.273355     1.37966  0.723377 0.339202  0.850415 0.383507  
1 1 1 34 13 40 o 0.975215 0.379047  1.35119      1.06135  2.28551      1.49773  0.40874      1.50424  1.14661  0.449329  0.84792  0.388743  
1 1 1 34 13 41 o 0.493958 0.246979  -2.02504     1.04825  -2.49759     1.52083  -1.59735     1.44684  0.584259 0.293979  0.619384 0.307378  
1 1 1 34 13 42 o 0.642586 0.311002  -0.492272    1.23308  0.318978     1.75515  -1.28295     1.73274  0.772154 0.373248  0.667193 0.331824  
1 1 1 34 14 0  o 3.4093   0.119915  11.6684      0.815356 11.6684      0.815356 11.6684      0.815356 3.41261  0.0845899 ?        ?         
1 1 1 34 14 1  o 6.49145  0.0681086 42.1437      0.884248 43.6012      1.30982  40.9231      1.1986   6.60233  0.099194  6.39643  0.0936926 
1 1 1 34 14 2  o 3.42607  0.0899786 11.7403      0.616545 11.4744      0.860879 12.0203      0.883411 3.38671  0.127097  3.46633  0.127428  
1 1 1 34 14 3  o 16.6459  0.123368  277.193      4.10715  275.553      5.84523  278.793      5.77224  16.5933  0.176132  16.6908  0.172917  
1 1 1 34 14 4  o 11.4139  0.09197   130.306      2.09947  130.278      2.97167  130.333      2.96655  11.4114  0.130206  11.4138  0.129954  
1 1 1 34 14 5  o 13.6236  0.108302  185.659      2.95092  178.882      4.04904  193.336      4.3096   13.3706  0.151416  13.9001  0.155021  
1 1 1 34 14 6  o 15.65    0.119415  245.019      3.73769  241.631      5.36445  248.217      5.21068  15.538   0.172623  15.7489  0.16543   
1 1 1 34 14 7  o 19.2651  0.142377  371.361      5.48581  367.708      7.61356  375.305      7.9112   19.1647  0.198635  19.361   0.204307  
1 1 1 34 14 8  o 22.0983  0.16197   488.727      7.15852  498.457      10.1996  479.282      10.0495  22.3083  0.228604  21.8748  0.229704  
1 1 1 34 14 9  o 7.20575  0.0732526 51.932       1.05568  51.4105      1.58039  52.3521      1.4186   7.16868  0.110228  7.23434  0.0980462 
1 1 1 34 14 10 o 11.4489  0.0937866 131.119      2.1475   132.426      3.15095  129.986      2.93464  11.5036  0.136954  11.3977  0.128739  
1 1 1 34 14 11 o 6.92299  0.0757312 47.9394      1.04857  49.2653      1.55527  46.8344      1.41979  7.0171   0.11082   6.842    0.103755  
1 1 1 34 14 12 o 4.29548  0.0813893 18.4569      0.699213 18.5388      0.992102 18.3761      0.985603 4.30432  0.115245  4.28539  0.114996  
1 1 1 34 14 13 o 2.12541  0.144063  4.52228      0.612383 5.12681      0.871773 3.93339      0.860421 2.26205  0.192695  1.98084  0.217186  
1 1 1 34 14 14 o 5.53536  0.0749358 30.6503      0.829594 31.9894      1.17384  29.3139      1.1726   5.65414  0.103804  5.41238  0.108326  
1 1 1 34 14 15 o 7.68837  0.0789208 59.1351      1.21355  57.3381      1.65477  61.2264      1.78505  7.56919  0.109309  7.82135  0.114114  
1 1 1 34 14 16 o 8.26954  0.0825467 68.4202      1.36525  70.4402      2.03348  66.7624      1.84216  8.38819  0.121211  8.16688  0.112783  
1 1 1 34 14 17 o 5.9301   0.0751187 35.1839      0.890922 33.9456      1.2352   36.5266      1.28626  5.82334  0.106056  6.04064  0.106467  
1 1 1 34 14 18 o 4.97182  0.0856754 24.7383      0.851925 24.0077      1.20128  25.4774      1.20836  4.89587  0.122683  5.04369  0.119789  
1 1 1 34 14 19 o 4.33025  0.0900763 18.7691      0.780105 18.6442      1.05532  18.9194      1.15833  4.31406  0.122312  4.34506  0.133292  
1 1 1 34 14 20 o 5.52017  0.0832442 30.5014      0.919043 29.6088      1.28359  31.4404      1.31648  5.43616  0.11806   5.60183  0.117505  
1 1 1 34 14 21 o 3.90608  0.0969055 15.2796      0.757042 15.3583      1.04753  15.1936      1.0953   3.9135   0.133836  3.89188  0.140717  
1 1 1 34 14 22 o 5.83143  0.082079  34.0468      0.957276 36.0076      1.34767  32.05        1.36     5.9938   0.112422  5.65389  0.120271  
1 1 1 34 14 23 o 2.30941  0.146446  5.3566       0.676409 5.58629      0.925476 5.0932       0.991061 2.35436  0.196545  2.2458   0.220648  
1 1 1 34 14 24 f 3.01114  0.119545  9.09657      0.719933 10.1614      0.989509 7.89892      1.04941  3.17894  0.155635  2.79933  0.187439  
1 1 1 34 14 25 o 1.77584  0.198586  3.18744      0.705313 3.39134      0.970315 2.95901      1.02702  1.82424  0.26595   1.67171  0.318625  
1 1 1 34 14 26 o 3.78928  0.109743  14.4115      0.831692 14.0953      1.13009  14.785       1.22843  3.74135  0.151027  3.8301   0.160366  
1 1 1 34 14 27 o 4.75573  0.106661  22.7081      1.0145   22.9202      1.41857  22.486       1.45145  4.76875  0.148736  4.72211  0.153686  
1 1 1 34 14 28 o 2.08764  0.190715  4.41703      0.796292 2.9159       1.06737  6.30113      1.1958   1.64612  0.335835  2.48348  0.24075   
1 1 1 34 14 29 o 1.72473  0.234367  3.04118      0.808439 1.70845      1.15886  4.30471      1.12836  1.26815  0.40525   2.04294  0.276162  
1 1 1 34 14 30 o 3.55741  0.135507  12.7729      0.964105 13.1335      1.39058  12.4392      1.33784  3.59006  0.193671  3.49463  0.191414  
1 1 1 34 14 31 o 0.652167 0.295998  -0.402546    0.835499 -0.474588    1.19467  -0.333577    1.1689   0.785386 0.355379  0.797351 0.356527  
1 1 1 34 14 32 o 3.47114  0.136925  12.196       0.950571 11.0391      1.30249  13.5144      1.39044  3.28043  0.198524  3.63287  0.191369  
1 1 1 34 14 33 o 3.91821  0.128739  15.5438      1.00885  17.2302      1.47299  14.0538      1.38458  4.10151  0.179567  3.70047  0.187081  
1 1 1 34 14 34 o 1.13955  0.354764  1.45876      0.894129 0.865734     1.24652  2.08727      1.28326  1.02509  0.407394  1.33415  0.426458  
1 1 1 34 14 35 o 0.947375 0.354613  0.872265     0.905636 1.46334      1.2566   0.23345      1.30637  1.15085  0.419754  0.905084 0.391886  
1 1 1 34 14 36 o 0.872011 0.349035  0.620512     0.921782 -0.617991    1.31273  1.82513      1.29465  0.771586 0.357452  1.22111  0.427944  
1 1 1 34 14 37 o 2.02862  0.228954  4.43584      0.928923 5.19006      1.28457  3.60912      1.3449   2.14015  0.300112  1.68105  0.404355  
1 1 1 34 14 38 o 0.80987  0.340996  0.46703      0.941694 -0.920554    1.34901  1.78583      1.31515  0.718298 0.342396  1.14763  0.427775  
1 1 1 34 14 39 o 1.71925  0.324944  3.72364      1.07659  3.93987      1.44274  3.45195      1.61721  1.62671  0.434916  1.43735  0.479429  
1 1 1 34 14 40 o 0.93394  0.373307  1.19413      1.05236  1.20142      1.4464   1.18593      1.53399  0.947134 0.411256  0.948679 0.417654  
1 1 1 34 14 41 o 0.806434 0.353833  0.857742     1.09341  0.875672     1.6114   0.842441     1.48853  0.833202 0.389843  0.824722 0.381518  
1 1 1 34 14 42 o 0.727862 0.340788  0.484169     1.23748  -1.44697     1.70819  2.61699      1.79517  0.638128 0.319041  0.958608 0.434599  
1 1 1 34 15 0  o 1.97685  0.198439  4.02671      0.766435 4.02671      0.766435 4.02671      0.766435 1.99231  0.137515  ?        ?         
1 1 1 34 15 1  o 3.60482  0.0833974 12.9971      0.601266 12.884       0.836324 13.1181      0.865039 3.58879  0.116519  3.62121  0.119441  
1 1 1 34 15 2  o 4.3626   0.076072  19.0352      0.663744 18.7832      0.990365 19.2407      0.894317 4.33321  0.114276  4.38582  0.101956  
1 1 1 34 15 3  f 22.5419  0.16233   508.499      7.31848  506.004      10.3082  511.035      10.3921  22.4785  0.22929   22.5899  0.230016  
1 1 1 34 15 4  o 15.5406  0.115266  241.598      3.58261  242.13       5.19228  241.114      4.94956  15.5545  0.166906  15.5224  0.159433  
1 1 1 34 15 5  o 29.2783  0.219896  858.397      12.8764  855.329      18.1649  861.495      18.2553  29.2056  0.310983  29.3106  0.311411  
1 1 1 34 15 6  o 17.7044  0.133403  313.611      4.72362  312.325      6.64908  314.92       6.71178  17.6634  0.188216  17.7366  0.189208  
1 1 1 34 15 7  o 12.5054  0.0995032 156.434      2.48866  158.974      3.5613   154.01       3.47914  12.6046  0.14127   12.4063  0.140217  
1 1 1 34 15 8  o 4.27552  0.0904456 18.285       0.773403 18.5377      1.12806  18.0609      1.06241  4.30432  0.131038  4.2487   0.125027  
1 1 1 34 15 9  o 18.2688  0.144936  334.008      5.29563  346.044      7.96739  324.483      7.08784  18.5865  0.214333  18.0005  0.196879  
1 1 1 34 15 10 o 7.60974  0.0782459 57.9228      1.19086  56.9777      1.73712  58.7608      1.63571  7.54626  0.115098  7.66373  0.106718  
1 1 1 34 15 11 o 5.74247  0.0751631 32.9845      0.863243 34.4937      1.25525  31.6304      1.18906  5.87157  0.106892  5.62262  0.105739  
1 1 1 34 15 12 o 9.36849  0.0844253 87.8006      1.58188  89.3768      2.29743  86.3797      2.1813   9.45037  0.121552  9.2908   0.117391  
1 1 1 34 15 13 o 4.26991  0.0817326 18.239       0.697981 18.6511      0.969207 17.795       1.00601  4.31716  0.112251  4.21672  0.119288  
1 1 1 34 15 14 o 7.17503  0.0743696 51.4989      1.06721  51.6926      1.50529  51.3032      1.51326  7.18725  0.10472   7.16009  0.105673  
1 1 1 34 15 15 o 2.75906  0.113632  7.6194       0.627035 7.67919      0.887334 7.55977      0.88619  2.76857  0.160251  2.74693  0.161306  
1 1 1 34 15 16 o 7.43797  0.0780199 55.3514      1.16062  55.8359      1.65404  54.8814      1.62898  7.46851  0.110734  7.40446  0.11      
1 1 1 34 15 17 o 3.05018  0.108875  9.31479      0.664173 7.99526      0.944104 10.6077      0.934536 2.82361  0.16718   3.25357  0.143617  
1 1 1 34 15 18 o 2.54761  0.127094  6.50205      0.647573 6.85886      0.91557  6.14487      0.916044 2.61446  0.175098  2.47414  0.185124  
1 1 1 34 15 19 o 3.21385  0.107337  10.3441      0.689933 10.3099      0.944603 10.3832      1.01011  3.20644  0.147298  3.21721  0.156986  
1 1 1 34 15 20 o 9.61278  0.0858828 92.5044      1.65114  91.5756      2.26262  93.5626      2.41497  9.55973  0.118341  9.66175  0.124976  
1 1 1 34 15 21 o 5.05024  0.0885711 25.5381      0.894611 26.471       1.20787  24.4046      1.33148  5.13907  0.117519  4.9326   0.134968  
1 1 1 34 15 22 o 2.86332  0.119439  8.22092      0.683984 9.27357      0.916634 6.89847      1.02742  3.03867  0.150828  2.61689  0.196305  
1 1 1 34 15 23 o 0.626692 0.271953  -0.0872233   0.631775 -0.0483956   0.873961 -0.129721    0.914334 0.74957  0.322487  0.75059  0.326463  
1 1 1 34 15 24 o 5.70564  0.0883659 32.6162      1.00837  33.0862      1.37068  32.0618      1.48871  5.74212  0.119353  5.6504   0.131735  
1 1 1 34 15 25 o 2.2721   0.161596  5.20081      0.734323 5.85085      0.997901 4.4331       1.08447  2.40427  0.207527  2.08567  0.259982  
1 1 1 34 15 26 o 4.54125  0.0973821 20.6854      0.884474 21.0114      1.22806  20.3341      1.27493  4.57051  0.134346  4.49476  0.141824  
1 1 1 34 15 27 o 5.91129  0.0962217 35.0597      1.13759  35.1413      1.60553  34.9775      1.61208  5.90828  0.135871  5.89424  0.13675   
1 1 1 34 15 28 o 2.69821  0.151903  7.34625      0.819733 7.73145      1.1306   6.91934      1.19025  2.75791  0.204975  2.60392  0.22855   
1 1 1 34 15 29 o 1.48769  0.276946  2.35729      0.793272 1.79426      1.08444  3.00532      1.16343  1.28521  0.38883   1.65581  0.361316  
1 1 1 34 15 30 o 1.33458  0.322874  1.94999      0.85368  0.852721     1.19272  3.10253      1.2224   1.0365   0.402037  1.67076  0.375055  
1 1 1 34 15 31 o 1.22822  0.337695  1.66467      0.854904 1.8543       1.20077  1.46974      1.21744  1.29396  0.412413  1.18872  0.41514   
1 1 1 34 15 32 o 0.98166  0.346588  0.957515     0.850579 0.824713     1.16664  1.10822      1.24277  1.0118   0.396552  1.09392  0.413995  
1 1 1 34 15 33 o 2.32416  0.197892  5.56273      0.919866 6.60493      1.30943  4.54728      1.29251  2.50565  0.261295  2.05645  0.314258  
1 1 1 34 15 34 o 1.8839   0.232239  3.7172       0.875028 2.31344      1.24359  5.0937       1.23145  1.39712  0.415122  2.18195  0.282191  
1 1 1 34 15 35 o 2.69221  0.179265  7.50278      0.965238 7.29386      1.34825  7.72244      1.3825   2.60689  0.258593  2.68307  0.257634  
1 1 1 34 15 36 f 2.27701  0.208976  5.47202      0.951684 6.18103      1.35061  4.77286      1.3412   2.36654  0.285356  2.04949  0.327204  
1 1 1 34 15 37 o 0.733037 0.322186  0.0698132    0.909785 -0.416028    1.25162  0.614089     1.32475  0.761224 0.351264  0.932649 0.399     
1 1 1 34 15 38 o 1.09959  0.365784  1.56155      0.941382 0.118918     1.28929  3.20888      1.37773  0.82554  0.371596  1.50417  0.433948  
1 1 1 34 15 39 o 1.17913  0.380796  1.99483      1.02125  0.926596     1.45201  3.04059      1.43665  0.930248 0.407955  1.36433  0.451873  
1 1 1 34 15 40 o 0.71761  0.327406  0.0727648    1.05187  -0.467305    1.52017  0.568868     1.45698  0.748779 0.358478  0.850469 0.387297  
1 1 1 34 15 41 o 0.793583 0.350239  0.845424     1.08693  1.8898       1.60165  -0.0461749   1.47987  0.93769  0.418359  0.72304  0.347968  
1 1 1 34 15 42 o 0.881507 0.382516  1.84906      1.24981  2.35334      1.73518  1.30537      1.8017   0.869164 0.405839  0.773998 0.374834  
1 1 1 34 16 0  o 9.81462  0.113505  96.3827      2.22734  96.3827      2.22734  96.3827      2.22734  9.81604  0.0802363 ?        ?         
1 1 1 34 16 1  o 15.8357  0.114743  250.861      3.63407  247.716      5.20451  253.853      5.07657  15.7329  0.165402  15.927   0.159369  
1 1 1 34 16 2  o 14.2396  0.104634  202.829      2.97989  204.673      4.24928  201.046      4.17998  14.3019  0.148556  14.1747  0.147445  
1 1 1 34 16 3  o 12.8936  0.0985873 166.293      2.5423   166.179      3.58934  166.408      3.6014   12.8874  0.139258  12.8963  0.13963   
1 1 1 34 16 4  o 15.0812  0.115303  227.533      3.47783  223.392      4.71938  232.455      5.14492  14.9408  0.157936  15.24    0.168796  
1 1 1 34 16 5  f 9.12448  0.085268  83.2747      1.55605  81.53        2.16318  85.1455      2.24001  9.02741  0.119812  9.22535  0.121405  
1 1 1 34 16 6  o 12.7195  0.101582  161.839      2.58414  163.13       3.69901  160.607      3.61162  12.768   0.144855  12.669   0.142538  
1 1 1 34 16 7  o 10.9438  0.0939855 119.803      2.05712  121.187      3.04272  118.637      2.79184  11.0049  0.138244  10.889   0.128196  
1 1 1 34 16 8  o 5.87796  0.0798744 34.5586      0.938997 36.1532      1.42772  33.3431      1.24653  6.01115  0.118756  5.77308  0.10796   
1 1 1 34 16 9  o 9.48417  0.0921351 89.9813      1.74765  88.3317      2.51737  91.516       2.42814  9.39493  0.133975  9.56314  0.126953  
1 1 1 34 16 10 o 20.4496  0.156768  418.657      6.41168  426.988      9.23019  410.89       8.91309  20.6397  0.223603  20.2476  0.220102  
1 1 1 34 16 11 o 4.80477  0.0767003 23.0927      0.737055 23.439       1.1094   22.8191      0.986158 4.83978  0.114613  4.77565  0.103249  
1 1 1 34 16 12 f 1.8812   0.147753  3.54323      0.555906 3.76919      0.795715 3.32779      0.776961 1.93918  0.205168  1.82193  0.213225  
1 1 1 34 16 13 o 6.45416  0.0726061 41.6696      0.937222 41.4699      1.32074  41.8722      1.33018  6.43762  0.102579  6.46877  0.102816  
1 1 1 34 16 14 o 9.01383  0.0813557 81.2859      1.46665  81.9273      2.09802  80.6728      2.05109  9.04716  0.115949  8.97775  0.114232  
1 1 1 34 16 15 o 3.687    0.0891579 13.6024      0.65745  14.0758      0.950655 13.1684      0.910212 3.7494   0.126774  3.62657  0.125492  
1 1 1 34 16 16 o 1.88132  0.159315  3.54777      0.599444 3.92039      0.840741 3.16248      0.854921 1.97583  0.212757  1.77353  0.241022  
1 1 1 34 16 17 o 4.90459  0.0823391 24.0726      0.80768  23.4954      1.15171  24.6311      1.13298  4.84354  0.118892  4.95951  0.114223  
1 1 1 34 16 18 o 5.77139  0.0770889 33.3326      0.88982  31.7916      1.24647  34.9341      1.27067  5.63426  0.110616  5.90641  0.107567  
1 1 1 34 16 19 o 4.67304  0.0876204 21.8605      0.818907 21.5052      1.10812  22.288       1.21554  4.63278  0.119596  4.7156   0.128885  
1 1 1 34 16 20 o 3.06006  0.111447  9.38182      0.682067 10.1246      0.956698 8.61401      0.972676 3.17632  0.150598  2.92869  0.16606   
1 1 1 34 16 21 o 1.65341  0.197977  2.75282      0.654676 1.70212      0.859696 4.20328      1.01008  1.26905  0.334107  2.03904  0.247685  
1 1 1 34 16 22 o 3.84629  0.0986635 14.8229      0.758976 14.8653      1.02644  14.7717      1.12735  3.84872  0.133349  3.83512  0.146977  
1 1 1 34 16 23 o 2.22026  0.147141  4.95337      0.653382 4.66685      0.898349 5.27516      0.952031 2.1499   0.208928  2.2858   0.208249  
1 1 1 34 16 24 o 2.55168  0.141647  6.54533      0.722877 6.34827      0.974491 6.78644      1.07792  2.50727  0.194333  2.59051  0.208052  
1 1 1 34 16 25 o 2.68281  0.133756  7.23581      0.717682 7.56682      0.981063 6.85475      1.05262  2.73781  0.179169  2.60245  0.202237  
1 1 1 34 16 26 o 5.91378  0.0920505 35.0731      1.08873  33.931       1.53189  36.2388      1.54763  5.80777  0.131883  6.00282  0.128908  
1 1 1 34 16 27 o 2.09109  0.188585  4.42821      0.788696 3.50864      1.08886  5.44318      1.14395  1.84434  0.29519   2.3076   0.247865  
1 1 1 34 16 28 o 1.30363  0.295165  1.82433      0.75179  2.47165      1.02414  1.0679       1.10708  1.50823  0.346585  1.08263  0.394077  
1 1 1 34 16 29 o 2.84565  0.146766  8.18474      0.835289 8.34472      1.14463  8.00251      1.22169  2.86048  0.200076  2.79599  0.218472  
1 1 1 34 16 30 o 2.57815  0.180055  6.7689       0.928418 6.34452      1.25801  7.27651      1.37585  2.47373  0.254274  2.6471   0.259878  
1 1 1 34 16 31 o 0.877376 0.337318  0.60866      0.835756 -0.438166    1.16581  1.7155       1.19876  0.778155 0.351639  1.25202  0.412769  
1 1 1 34 16 32 o 1.51451  0.295426  2.50876      0.862925 2.38533      1.20182  2.64012      1.23979  1.43693  0.402359  1.51009  0.402908  
1 1 1 34 16 33 o 0.641376 0.295396  -0.555713    0.879651 0.217588     1.21849  -1.39738     1.27121  0.894925 0.382756  0.692411 0.330607  
1 1 1 34 16 34 o 0.685937 0.304771  -0.175054    0.841871 0.169473     1.18035  -0.531791    1.20109  0.86682  0.373874  0.763954 0.349043  
1 1 1 34 16 35 o 1.07131  0.360667  1.31023      0.915229 1.78786      1.28087  0.811994     1.30822  1.21905  0.42581   0.999608 0.409724  
1 1 1 34 16 36 o 2.84553  0.166844  8.39685      0.949519 8.69036      1.33825  8.0993       1.34744  2.84468  0.23522   2.73732  0.246125  
1 1 1 34 16 37 o 0.723161 0.321064  0.00235139   0.931891 -0.81387     1.33216  0.784521     1.30408  0.731943 0.345165  0.950859 0.400862  
1 1 1 34 16 38 o 1.23562  0.35862   1.98608      0.938171 0.984011     1.27386  3.17385      1.38688  0.963386 0.400584  1.48358  0.437782  
1 1 1 34 16 39 f 0.671665 0.311442  -0.227028    0.999441 1.0709       1.41956  -1.50275     1.40736  0.938176 0.407395  0.652156 0.319445  
1 1 1 34 16 40 o 1.05954  0.385284  1.82673      1.058    3.18234      1.55047  0.645471     1.44733  1.2604   0.465533  0.835636 0.382361  
1 1 1 34 16 41 f 1.17459  0.3964    2.49537      1.10557  1.77171      1.63215  3.10891      1.50285  0.925582 0.41728   1.16985  0.451798  
1 1 1 34 17 0  o 4.23154  0.120547  17.9534      1.01833  17.9534      1.01833  17.9534      1.01833  4.23435  0.0851046 ?        ?         
1 1 1 34 17 1  o 6.48842  0.0713456 42.106       0.92584  41.1286      1.24585  43.3116      1.38364  6.41224  0.0971459 6.58006  0.105139  
1 1 1 34 17 2  o 16.2482  0.118828  264.119      3.86149  259.848      5.32119  268.87       5.61239  16.1131  0.16512   16.3899  0.171215  
1 1 1 34 17 3  o 5.39403  0.0723187 29.1003      0.780179 28.5594      1.0797   29.6914      1.1286   5.34324  0.101034  5.44807  0.103578  
1 1 1 34 17 4  o 9.08535  0.0811976 82.561       1.47542  81.033       2.10466  84.0375      2.06891  8.99987  0.116927  9.16533  0.112866  
1 1 1 34 17 5  o 4.11916  0.0906935 16.9722      0.747162 16.9352      1.10299  17.0035      1.01569  4.11399  0.134053  4.12248  0.12319   
1 1 1 34 17 6  o 10.7413  0.0933104 115.411      2.00454  117.47       3.00038  113.75       2.69401  10.8346  0.138462  10.6623  0.126333  
1 1 1 34 17 7  o 5.70842  0.0818266 32.5945      0.934201 33.0239      1.35856  32.2094      1.28669  5.74507  0.118237  5.6739   0.113386  
1 1 1 34 17 8  o 4.90914  0.0897129 24.108       0.880827 26.7245      1.32191  22.0186      1.18128  5.16774  0.1279    4.69078  0.125915  
1 1 1 34 17 9  f 18.8711  0.14768   356.477      5.57376  361.138      8.09694  352.279      7.68423  18.9834  0.213263  18.7507  0.204905  
1 1 1 34 17 10 o 9.29216  0.0842156 86.375       1.56509  87.1072      2.19253  85.6144      2.23481  9.32988  0.117501  9.2494   0.120808  
1 1 1 34 17 11 o 9.09612  0.0804189 82.769       1.463    85.2963      2.15759  80.6179      1.99049  9.23214  0.116852  8.97572  0.110882  
1 1 1 34 17 12 o 1.97632  0.140732  3.91048      0.556261 4.27327      0.824569 3.60749      0.753563 2.0647   0.199682  1.89708  0.198611  
1 1 1 34 17 13 o 11.2258  0.091786  126.09       2.06075  130.105      3.0183   122.584      2.82043  11.3996  0.132386  11.0657  0.12744   
1 1 1 34 17 14 o 6.4649   0.0767096 41.8134      0.99184  41.8572      1.39173  41.7683      1.41388  6.46687  0.107604  6.4599   0.109435  
1 1 1 34 17 15 o 2.76416  0.109307  7.64858      0.604284 7.23451      0.844187 8.08371      0.865379 2.68678  0.1571    2.84029  0.15234   
1 1 1 34 17 16 o 8.59455  0.0800504 73.9157      1.37599  71.4274      1.88717  76.7401      2.01058  8.44602  0.11172   8.75417  0.114836  
1 1 1 34 17 17 o 4.17541  0.0867953 17.449       0.724812 16.8717      1.00519  18.0741      1.04611  4.10402  0.122464  4.2477   0.123139  
1 1 1 34 17 18 o 2.27897  0.134506  5.20596      0.613069 4.77039      0.852865 5.67167      0.881885 2.17868  0.195729  2.37619  0.185567  
1 1 1 34 17 19 o 3.69647  0.100196  13.6839      0.740742 13.0136      1.04448  14.3623      1.05068  3.60187  0.144992  3.7844   0.138817  
1 1 1 34 17 20 o 3.09815  0.109444  9.61756      0.67815  9.24585      0.933561 10.0328      0.986744 3.03471  0.153814  3.16104  0.156079  
1 1 1 34 17 21 o 2.37664  0.139904  5.66936      0.665003 6.89275      0.90188  4.21172      0.984446 2.61806  0.172242  2.04103  0.241164  
1 1 1 34 17 22 o 3.40072  0.104675  11.5913      0.711942 10.9531      1.0023   12.2412      1.01144  3.30167  0.151787  3.49116  0.144857  
1 1 1 34 17 23 f 1.09164  0.288505  1.25895      0.639487 0.783191     0.867085 1.82636      0.946924 0.957672 0.34874   1.30968  0.353338  
1 1 1 34 17 24 o 3.0748   0.122745  9.49426      0.754833 9.67008      0.989513 9.24954      1.1674   3.09874  0.159664  3.02573  0.192911  
1 1 1 34 17 25 o 0.814527 0.304702  0.525664     0.668441 0.707714     0.904093 0.306158     0.992751 0.941533 0.353938  0.868557 0.356617  
1 1 1 34 17 26 o 5.387    0.0954466 29.1153      1.02834  29.8443      1.45412  28.3859      1.45447  5.4454   0.133518  5.30979  0.136961  
1 1 1 34 17 27 o 2.58314  0.149312  6.72856      0.771385 6.09513      1.0432   7.49271      1.14581  2.44791  0.213081  2.71452  0.211051  
1 1 1 34 17 28 o 2.19116  0.174372  4.86162      0.764153 3.99929      1.04439  5.85513      1.12102  1.97109  0.264927  2.39243  0.234286  
1 1 1 34 17 29 o 4.53254  0.109347  20.6685      0.99124  20.0998      1.35608  21.3211      1.45254  4.45719  0.152123  4.58841  0.158283  
1 1 1 34 17 30 o 2.47518  0.179415  6.24122      0.888172 5.32032      1.25117  7.17667      1.26102  2.25659  0.277225  2.63533  0.239253  
1 1 1 34 17 31 o 0.964274 0.348689  0.883143     0.865505 0.79815      1.18689  0.979668     1.26484  1.01319  0.399145  1.07082  0.414289  
1 1 1 34 17 32 o 3.5274   0.142011  12.6308      1.00186  12.7213      1.38372  12.5311      1.45247  3.51607  0.196772  3.48369  0.208467  
1 1 1 34 17 33 o 1.58718  0.287225  2.75822      0.878283 2.32563      1.21939  3.22459      1.26609  1.40755  0.408956  1.66769  0.386779  
1 1 1 34 17 34 o 0.730422 0.31854   0.0026888    0.875114 -0.963496    1.19573  1.11713      1.2842   0.703326 0.330316  1.07529  0.417151  
1 1 1 34 17 35 o 1.35064  0.344907  2.16148      0.935092 1.25999      1.30262  3.11994      1.34315  1.0877   0.420511  1.57624  0.418825  
1 1 1 34 17 36 o 0.894984 0.3434    0.791902     0.864807 0.133316     1.18273  1.54855      1.26773  0.830647 0.366133  1.13316  0.420468  
1 1 1 34 17 37 o 0.649792 0.300398  -0.397638    0.92087  0.41785      1.28838  -1.24936     1.31669  0.876377 0.384307  0.679154 0.327184  
1 1 1 34 17 38 o 0.585818 0.280236  -0.823857    0.924316 -0.424563    1.27973  -1.25935     1.33648  0.73916  0.346163  0.670394 0.324342  
1 1 1 34 17 39 o 0.543083 0.265985  -1.28676     0.974923 -2.00351     1.36939  -0.550056    1.38831  0.604394 0.299786  0.724169 0.345705  
1 1 1 34 17 40 o 0.610904 0.293389  -0.551327    1.0385   -1.25933     1.49797  0.103853     1.441    0.652117 0.321163  0.75375  0.356796  
1 1 1 34 17 41 o 0.642621 0.30686   -0.253138    1.09575  1.35832      1.67638  -1.45523     1.44787  0.868459 0.402946  0.614356 0.305238  
1 1 1 34 18 0  o 19.7455  0.214071  390.317      8.45165  390.317      8.45165  390.317      8.45165  19.751   0.151309  ?        ?         
1 1 1 34 18 1  o 14.4372  0.109921  208.515      3.17389  209.137      4.45108  207.871      4.527    14.4559  0.153953  14.4119  0.157058  
1 1 1 34 18 2  o 11.429   0.0958089 130.663      2.19001  125.303      2.99823  136.794      3.20653  11.1905  0.133963  11.6922  0.137123  
1 1 1 34 18 3  o 4.67941  0.0754286 21.9012      0.705923 23.0339      1.03741  20.9244      0.963352 4.79839  0.1081    4.57344  0.10532   
1 1 1 34 18 4  o 13.6944  0.10954   187.618      3.00018  188.476      4.381    186.86       4.11708  13.7223  0.159631  13.664   0.150654  
1 1 1 34 18 5  o 7.73341  0.0847195 59.8219      1.31034  61.2964      1.96873  58.6492      1.75571  7.82683  0.125768  7.65634  0.114657  
1 1 1 34 18 6  o 4.61901  0.0860374 21.3417      0.794816 21.7065      1.14913  21.0072      1.10052  4.65755  0.123362  4.582    0.120092  
1 1 1 34 18 7  o 3.82925  0.0999359 14.6697      0.76536  14.6018      1.11035  14.7311      1.05643  3.81942  0.145356  3.83648  0.137682  
1 1 1 34 18 8  o 6.36108  0.0825951 40.4763      1.05079  40.4577      1.53957  40.4926      1.43773  6.35842  0.121066  6.36145  0.113003  
1 1 1 34 18 9  o 9.14135  0.0859791 83.5957      1.57193  85.6718      2.19719  81.419       2.24984  9.25259  0.118734  9.01968  0.124718  
1 1 1 34 18 10 o 12.3742  0.102233  153.209      2.53011  155.276      3.67373  151.343      3.48959  12.4535  0.147497  12.2954  0.141907  
1 1 1 34 18 11 o 5.52028  0.0797656 30.4851      0.880657 29.5141      1.21813  31.5483      1.27467  5.43064  0.112154  5.61462  0.113513  
1 1 1 34 18 12 o 2.3083   0.11518   5.33287      0.531741 4.842        0.811579 5.70209      0.703863 2.19797  0.18462   2.38618  0.147487  
1 1 1 34 18 13 o 10.5241  0.0919956 110.825      1.93634  109.536      2.75196  112.09       2.72504  10.4592  0.131556  10.5808  0.128774  
1 1 1 34 18 14 o 4.73837  0.0801456 22.4643      0.759519 22.8694      1.08673  22.0774      1.06194  4.77959  0.113685  4.69613  0.113065  
1 1 1 34 18 15 o 15.9346  0.118607  254.271      3.77991  255.375      5.37057  253.187      5.32097  15.958   0.168272  15.8897  0.167434  
1 1 1 34 18 16 o 3.68752  0.0872795 13.6092      0.64369  13.6903      0.887851 13.5193      0.934574 3.69711  0.120074  3.67359  0.127202  
1 1 1 34 18 17 o 2.64485  0.113674  7.00634      0.601302 5.82596      0.813076 8.4312       0.893315 2.40947  0.168725  2.89941  0.154051  
1 1 1 34 18 18 o 4.71676  0.0830572 22.2693      0.783521 22.2675      1.14407  22.2708      1.07526  4.71398  0.121349  4.71489  0.114028  
1 1 1 34 18 19 o 3.08098  0.108588  9.50983      0.669117 8.82041      0.947218 10.1965      0.945334 2.96398  0.159788  3.1877   0.148278  
1 1 1 34 18 20 o 5.55243  0.0839498 30.8682      0.932251 30.7447      1.24125  31.028       1.41199  5.53856  0.112056  5.56226  0.126926  
1 1 1 34 18 21 o 2.45357  0.135736  6.04222      0.666073 6.88939      0.898532 5.00883      0.992384 2.61708  0.171667  2.22703  0.222804  
1 1 1 34 18 22 o 2.63739  0.124668  6.97968      0.657597 5.92155      0.922717 8.07181      0.937423 2.4238   0.190345  2.83259  0.165471  
1 1 1 34 18 23 o 4.16698  0.0966595 17.4055      0.805557 16.944       1.09149  17.9576      1.19384  4.10703  0.132881  4.22687  0.14122   
1 1 1 34 18 24 o 2.98944  0.121938  8.9757       0.729056 8.53438      0.974836 9.53583      1.09824  2.90951  0.167526  3.07377  0.178648  
1 1 1 34 18 25 o 2.932    0.126963  8.64223      0.74451  7.59891      1.01834  9.84027      1.09123  2.74089  0.185767  3.12106  0.174818  
1 1 1 34 18 26 o 4.64425  0.102539  21.6504      0.952438 20.4352      1.29669  23.0742      1.40355  4.50368  0.143959  4.78498  0.146662  
1 1 1 34 18 27 o 2.0395   0.186416  4.21678      0.76039  4.66408      1.05332  3.72999      1.09883  2.13404  0.246791  1.90009  0.289152  
1 1 1 34 18 28 o 2.80029  0.14101   7.91499      0.789736 7.27873      1.07913  8.64873      1.15884  2.67248  0.201896  2.91397  0.198842  
1 1 1 34 18 29 o 3.13859  0.138405  9.9518       0.868797 9.63271      1.17086  10.3427      1.29597  3.07386  0.190455  3.18075  0.203721  
1 1 1 34 18 30 f 2.17533  0.198893  4.84428      0.865317 6.64406      1.2498   3.18714      1.19925  2.53163  0.246837  1.69054  0.365068  
1 1 1 34 18 31 o 0.701069 0.309329  -0.147099    0.847112 -0.66971     1.15611  0.458758     1.24479  0.739212 0.339698  0.954274 0.39634   
1 1 1 34 18 32 o 2.7209   0.174583  7.5747       0.950043 8.73114      1.32754  6.36068      1.36018  2.89759  0.229076  2.4513   0.277441  
1 1 1 34 18 33 o 0.73856  0.316613  0.0916164    0.837148 0.565958     1.1584   -0.42693     1.21117  0.939343 0.385374  0.782921 0.355619  
1 1 1 34 18 34 o 1.17288  0.355425  1.60044      0.905622 1.55606      1.23931  1.6513       1.32663  1.16794  0.41775   1.19739  0.431824  
1 1 1 34 18 35 o 2.02894  0.224067  4.37494      0.909237 4.07786      1.26276  4.6948       1.31027  1.86115  0.352056  2.03899  0.321303  
1 1 1 34 18 36 o 1.00504  0.354696  1.17638      0.890755 0.914555     1.20119  1.49627      1.32773  0.973541 0.394789  1.11329  0.425978  
1 1 1 34 18 37 o 0.969414 0.35711   1.12206      0.911474 1.54195      1.26789  0.672968     1.31124  1.08911  0.416402  0.919215 0.395227  
1 1 1 34 18 38 o 0.86332  0.350873  0.808621     0.951266 0.867857     1.34424  0.7492       1.34635  0.920525 0.398035  0.9017   0.394152  
1 1 1 34 18 39 o 1.03249  0.373352  1.56624      0.992271 2.30579      1.42848  0.876653     1.37937  1.15238  0.44158   0.892378 0.394104  
1 1 1 34 18 40 o 0.584048 0.282641  -0.704134    1.01742  -1.73743     1.48055  0.220423     1.40048  0.611656 0.304552  0.749193 0.353477  
1 1 1 34 18 41 o 1.08063  0.39063   2.2797       1.08616  0.74046      1.57369  3.68004      1.50101  0.776316 0.369995  1.2296   0.457267  
1 1 1 34 19 0  o 5.19078  0.109601  26.9863      1.13668  26.9863      1.13668  26.9863      1.13668  5.19281  0.0774299 ?        ?         
1 1 1 34 19 1  o 1.1179   0.263155  1.30353      0.579271 1.04742      0.822457 1.55565      0.816007 1.04327  0.341899  1.22362  0.327053  
1 1 1 34 19 2  o 17.4728  0.14108   305.53       4.93012  310.222      7.40731  301.798      6.6058   17.5981  0.210458  17.3602  0.190257  
1 1 1 34 19 3  o 5.94562  0.0773486 35.3588      0.919771 35.9167      1.33693  34.8574      1.26736  5.99157  0.111567  5.90266  0.107355  
1 1 1 34 19 4  o 9.16347  0.0869655 83.9955      1.59381  83.9247      2.2588   84.0657      2.24921  9.15812  0.123322  9.16584  0.122695  
1 1 1 34 19 5  o 7.9119   0.0851151 62.618       1.34684  65.6658      1.95584  59.8693      1.85742  8.10081  0.120719  7.73504  0.120065  
1 1 1 34 19 6  o 2.63314  0.128238  6.93867      0.675339 7.28127      1.01015  6.66178      0.908124 2.69619  0.187329  2.57919  0.176048  
1 1 1 34 19 7  o 9.88341  0.0909306 97.721       1.79741  97.652       2.55805  97.7883      2.52609  9.87786  0.129484  9.88486  0.127776  
1 1 1 34 19 8  o 9.9309   0.0877708 98.6623      1.74329  97.8378      2.36335  99.6463      2.58188  9.88764  0.11951   9.97797  0.129379  
1 1 1 34 19 9  o 8.54877  0.0859561 73.1115      1.46964  78.6187      2.14633  68.2505      2.0165   8.86311  0.121082  8.25797  0.122094  
1 1 1 34 19 10 o 4.84083  0.0843279 23.4437      0.816435 24.2916      1.17488  22.6518      1.13536  4.92655  0.11924   4.75735  0.119327  
1 1 1 34 19 11 o 12.9699  0.101806  168.331      2.64081  171.553      3.79134  165.294      3.68046  13.0888  0.144832  12.848   0.143231  
1 1 1 34 19 12 o 4.2311   0.0789037 17.9102      0.667699 17.9327      1.01423  17.8931      0.887037 4.23248  0.119815  4.22832  0.104892  
1 1 1 34 19 13 o 7.64667  0.0779104 58.5005      1.19151  61.4759      1.78827  56.1251      1.59786  7.83647  0.114099  7.48817  0.106693  
1 1 1 34 19 14 o 2.85233  0.105462  8.14446      0.601625 9.4504       0.879253 6.99475      0.824989 3.07115  0.143147  2.64169  0.156148  
1 1 1 34 19 15 o 15.3083  0.118625  234.7        3.6319   239.224      5.29416  230.677      4.99174  15.4426  0.171414  15.1661  0.164569  
1 1 1 34 19 16 o 5.92658  0.0737922 35.1468      0.874671 35.5473      1.24195  34.7527      1.23205  5.95833  0.10422   5.89134  0.104564  
1 1 1 34 19 17 o 4.59301  0.0832201 21.1155      0.764462 20.1179      1.06569  22.1729      1.09722  4.48103  0.118911  4.7045   0.116614  
1 1 1 34 19 18 o 6.40356  0.0804053 41.0449      1.02976  40.7192      1.51241  41.3264      1.40601  6.37445  0.118631  6.4228   0.109454  
1 1 1 34 19 19 o 6.44577  0.0785173 41.591       1.01221  42.6604      1.41081  40.4564      1.45308  6.52504  0.108108  6.35351  0.114353  
1 1 1 34 19 20 o 2.96425  0.122148  8.81178      0.724155 9.58799      0.981188 7.88315      1.07321  3.08903  0.158818  2.7979   0.191788  
1 1 1 34 19 21 o 2.53007  0.129737  6.42378      0.65649  6.21387      0.900327 6.6621       0.959313 2.48432  0.181202  2.57184  0.186503  
1 1 1 34 19 22 o 3.98322  0.0956402 15.9004      0.761912 16.3412      1.0841   15.4701      1.07103  4.03382  0.134376  3.92458  0.136452  
1 1 1 34 19 23 o 5.61431  0.087768  31.5879      0.985514 30.6848      1.3496   32.6195      1.44249  5.52808  0.122067  5.69882  0.126561  
1 1 1 34 19 24 o 1.79346  0.18527   3.25046      0.664549 4.14773      0.905499 2.20301      0.978351 2.02102  0.224021  1.43045  0.345384  
1 1 1 34 19 25 o 3.01912  0.1237    9.16428      0.746927 10.2845      1.07113  8.10396      1.0421   3.19102  0.167835  2.82975  0.184132  
1 1 1 34 19 26 o 5.10148  0.0985529 26.1175      1.00553  26.2984      1.35953  25.8991      1.49405  5.11156  0.132986  5.06886  0.147375  
1 1 1 34 19 27 o 3.31602  0.120969  11.0606      0.802271 10.156       1.08556  12.1494      1.19091  3.16804  0.17133   3.4649   0.171853  
1 1 1 34 19 28 o 3.2841   0.124814  10.8696      0.819802 10.8831      1.10969  10.8534      1.2164   3.27557  0.169388  3.26629  0.186205  
1 1 1 34 19 29 o 1.13807  0.336606  1.40744      0.818995 1.74886      1.1103   0.999963     1.21297  1.26147  0.395853  1.07238  0.408074  
1 1 1 34 19 30 o 3.42121  0.134133  11.8357      0.917792 13.1617      1.29832  10.5111      1.29758  3.59119  0.180765  3.201    0.202684  
1 1 1 34 19 31 o 4.28278  0.121595  18.5409      1.04153  19.2965      1.45881  17.7553      1.4875   4.34834  0.167744  4.1655   0.178549  
1 1 1 34 19 32 o 1.2294   0.348718  1.70436      0.897073 2.94471      1.2371   0.328881     1.30275  1.59592  0.390289  0.938566 0.398409  
1 1 1 34 19 33 o 0.819945 0.333795  0.407406     0.862354 0.93287      1.17931  -0.196448    1.26422  1.02329  0.399181  0.833008 0.371669  
1 1 1 34 19 34 o 0.828584 0.337731  0.465975     0.88391  0.300522     1.261    0.625796     1.23935  0.89553  0.386348  0.950498 0.395167  
1 1 1 34 19 35 o 0.743944 0.319339  0.166527     0.85357  -0.253603    1.20043  0.596174     1.21395  0.781442 0.354706  0.927142 0.388615  
1 1 1 34 19 36 o 0.727092 0.31793   0.104689     0.876564 0.0902924    1.22006  0.120049     1.26021  0.820446 0.365618  0.834761 0.371803  
1 1 1 34 19 37 o 0.975514 0.35042   1.15915      0.872846 1.51361      1.20135  0.762813     1.27032  1.07659  0.407155  0.924155 0.39289   
1 1 1 34 19 38 o 0.963456 0.369507  1.24685      1.00094  0.608658     1.40471  1.9051       1.42662  0.874583 0.390955  1.0981   0.436014  
1 1 1 34 19 39 o 0.920937 0.365566  1.17974      1.00259  -0.490503    1.45486  2.69035      1.38359  0.732675 0.35075   1.23516  0.441437  
1 1 1 34 19 40 o 0.641329 0.30146   -0.0959431   1.00039  0.727593     1.46211  -0.820818    1.37173  0.795135 0.371764  0.643666 0.315307  
1 1 1 34 19 41 o 0.584093 0.283412  -0.376775    1.03981  -0.40515     1.51754  -0.351664    1.4276   0.645134 0.318918  0.639237 0.314839  
1 1 1 34 20 0  o 4.2172   0.113715  17.8285      0.957544 17.8285      0.957544 17.8285      0.957544 4.21979  0.080293  ?        ?         
1 1 1 34 20 1  o 9.69826  0.0844637 94.0856      1.6383   94.1678      2.34806  94.0076      2.28696  9.70087  0.121023  9.69277  0.117973  
1 1 1 34 20 2  o 6.88854  0.0716733 47.4628      0.98745  47.9563      1.44741  47.0331      1.35054  6.92336  0.104531  6.85658  0.0984853 
1 1 1 34 20 3  o 3.69839  0.0788353 13.6819      0.583128 13.2138      0.761361 14.3462      0.906947 3.63417  0.10475   3.7864   0.119764  
1 1 1 34 20 4  o 5.69515  0.0806682 32.4445      0.918834 32.309       1.34165  32.5641      1.26096  5.68225  0.118056  5.70487  0.110516  
1 1 1 34 20 5  o 9.51249  0.0926173 90.5249      1.76204  89.3122      2.5399   91.6501      2.44652  9.44637  0.134438  9.56961  0.127828  
1 1 1 34 20 6  o 8.99005  0.0911486 80.855       1.63886  79.8479      2.24182  82.011       2.40184  8.9322   0.125491  9.05196  0.132669  
1 1 1 34 20 7  o 2.92351  0.11046   8.55253      0.645862 8.94198      0.914362 8.16475      0.912414 2.98845  0.152983  2.85546  0.159767  
1 1 1 34 20 8  o 2.6532   0.124318  7.04568      0.659683 6.45185      0.967022 7.56258      0.902211 2.53743  0.190551  2.74791  0.164163  
1 1 1 34 20 9  o 7.79679  0.0809655 60.8141      1.26254  60.6183      1.8082   61.0004      1.76364  7.78257  0.11617   7.80723  0.112949  
1 1 1 34 20 10 o 7.39511  0.0775504 54.7092      1.14699  53.6342      1.60686  55.8259      1.63775  7.32061  0.109749  7.46869  0.109641  
1 1 1 34 20 11 o 3.54865  0.0969367 12.6015      0.68799  13.0013      0.921311 12.0975      1.03441  3.60359  0.127833  3.47534  0.148821  
1 1 1 34 20 12 o 11.2059  0.0997819 125.673      2.2363   125.517      3.07508  125.849      3.25805  11.1949  0.137343  11.2086  0.145337  
1 1 1 34 20 13 o 6.13359  0.0739981 37.6401      0.907748 36.4638      1.23524  39.0212      1.33847  6.03559  0.10233   6.24336  0.107191  
1 1 1 34 20 14 o 1.4089   0.189567  1.99255      0.534164 2.67905      0.771027 1.35895      0.740727 1.632    0.236221  1.14209  0.314478  
1 1 1 34 20 15 o 6.07805  0.0738675 36.9656      0.89794  36.7436      1.27861  37.1817      1.26132  6.05779  0.105535  6.09394  0.10349   
1 1 1 34 20 16 o 2.96941  0.103954  8.82968      0.617362 9.56843      0.896932 8.1646       0.851039 3.08909  0.145178  2.85328  0.149133  
1 1 1 34 20 17 o 1.74191  0.169482  3.04676      0.590447 2.4463       0.840062 3.63301      0.830064 1.53112  0.284966  1.89952  0.218493  
1 1 1 34 20 18 o 5.03449  0.0835577 25.3743      0.84134  27.3808      1.21767  23.5412      1.16383  5.22696  0.116479  4.84631  0.120074  
1 1 1 34 20 19 o 4.97958  0.0825924 24.8269      0.822551 23.7788      1.12832  26.0157      1.20166  4.87041  0.115835  5.09411  0.117946  
1 1 1 34 20 20 o 6.04584  0.087233  36.6083      1.05479  35.6825      1.46399  37.6076      1.52105  5.96447  0.122726  6.12303  0.124208  
1 1 1 34 20 21 o 3.90591  0.0947554 15.2865      0.740213 16.1017      1.05864  14.5068      1.03539  4.00499  0.132165  3.801    0.136199  
1 1 1 34 20 22 o 2.51523  0.139504  6.35796      0.701769 5.70449      0.9753   7.0595       1.01054  2.37566  0.20527   2.64467  0.191052  
1 1 1 34 20 23 o 3.27916  0.111725  10.792       0.732727 11.0262      1.00783  10.5295      1.06718  3.30949  0.152264  3.2322   0.165085  
1 1 1 34 20 24 o 2.22661  0.152016  4.99493      0.676959 4.481        0.940777 5.54677      0.974861 2.09957  0.22404   2.33851  0.208437  
1 1 1 34 20 25 o 2.85027  0.132464  8.17531      0.755119 8.41494      1.04555  7.91402      1.09175  2.88374  0.181283  2.79394  0.195379  
1 1 1 34 20 26 o 1.51445  0.237984  2.34424      0.720828 1.18967      0.971367 3.75926      1.07536  1.09298  0.371563  1.90954  0.281574  
1 1 1 34 20 27 o 2.46724  0.150343  6.14789      0.741865 5.83427      1.02567  6.49198      1.07433  2.39122  0.214466  2.52276  0.212928  
1 1 1 34 20 28 o 0.582312 0.268509  -0.527094    0.729611 -0.378398    0.996897 -0.698622    1.0707   0.727586 0.327171  0.709251 0.326341  
1 1 1 34 20 29 o 5.34598  0.103788  28.76        1.10969  28.7904      1.49357  28.7225      1.65795  5.33507  0.139977  5.32156  0.155777  
1 1 1 34 20 30 o 2.07764  0.205908  4.43631      0.855607 5.07145      1.18168  3.73639      1.24048  2.20045  0.26851   1.836    0.35038   
1 1 1 34 20 31 f 2.6214   0.177479  7.03436      0.930484 8.26844      1.2474   5.48634      1.39709  2.82427  0.220837  2.26277  0.308712  
1 1 1 34 20 32 f 1.13471  0.351411  1.44121      0.878852 1.77425      1.23401  1.09841      1.25196  1.24933  0.418793  1.07959  0.413482  
1 1 1 34 20 33 f 1.84974  0.247854  3.627        0.916929 3.68032      1.24109  3.56291      1.36061  1.78612  0.360054  1.72971  0.400821  
1 1 1 34 20 34 o 0.632469 0.29133   -0.464834    0.855942 -1.61508     1.18349  0.796697     1.23942  0.624491 0.302809  0.979862 0.399745  
1 1 1 34 20 35 o 3.88691  0.129428  15.4606      1.00615  17.1817      1.44674  13.8484      1.40022  4.05608  0.178342  3.62832  0.192957  
1 1 1 34 20 36 o 0.956069 0.357371  1.05108      0.919143 1.35174      1.34255  0.785844     1.261    1.05887  0.422175  0.938243 0.3948    
1 1 1 34 20 37 o 0.590656 0.278313  -0.617913    0.862738 -0.455487    1.20476  -0.788879    1.23603  0.720375 0.337065  0.691648 0.328838  
1 1 1 34 20 38 o 0.651253 0.304411  -0.315991    0.979487 0.380099     1.38969  -1.00316     1.38076  0.831071 0.378405  0.68222  0.329996  
1 1 1 34 20 39 o 1.37612  0.362762  2.85164      1.01266  1.03427      1.4328   4.66558      1.43145  0.87332  0.392493  1.6749   0.426163  
1 1 1 34 20 40 o 0.665429 0.310473  0.0374687    1.01307  0.46774      1.44974  -0.373145    1.41624  0.773471 0.363379  0.690447 0.334016  
1 1 1 34 21 0  o 2.71632  0.148311  7.44804      0.800234 7.44804      0.800234 7.44804      0.800234 2.72278  0.104257  ?        ?         
1 1 1 34 21 1  o 9.04808  0.0782386 81.8919      1.41582  82.6917      1.95098  81.0021      2.05783  9.09097  0.107303  8.99727  0.114358  
1 1 1 34 21 2  o 15.5784  0.116028  242.847      3.61507  246.581      5.05459  238.937      5.17239  15.6929  0.161047  15.447   0.167424  
1 1 1 34 21 3  o 4.26745  0.0711515 18.2157      0.607271 17.6932      0.829356 18.8197      0.891644 4.2053   0.0986084 4.33703  0.102794  
1 1 1 34 21 4  o 3.35076  0.0978762 11.2331      0.655919 11.111       0.925052 11.3565      0.930188 3.33167  0.138827  3.3683   0.13808   
1 1 1 34 21 5  o 4.68535  0.0867765 21.9613      0.813155 22.3364      1.13687  21.5684      1.16354  4.72432  0.120321  4.64224  0.125321  
1 1 1 34 21 6  f 13.4094  0.108199  179.929      2.90177  179.053      4.17707  180.747      4.03411  13.372   0.156188  13.4358  0.150126  
1 1 1 34 21 7  o 10.89    0.0949604 118.655      2.06824  120.891      3.02942  116.703      2.83055  10.9889  0.13784   10.7974  0.131075  
1 1 1 34 21 8  o 14.6572  0.119056  215.022      3.49004  212.573      4.83173  217.693      5.0466   14.5673  0.165842  14.7409  0.171177  
1 1 1 34 21 9  o 9.14429  0.0854164 83.6587      1.56214  83.8502      2.18971  83.4603      2.22923  9.15255  0.119623  9.13106  0.122068  
1 1 1 34 21 10 o 3.83077  0.0900454 14.6834      0.689887 15.103       0.991357 14.2894      0.960661 3.88394  0.127623  3.77789  0.127142  
1 1 1 34 21 11 o 7.50876  0.0807614 56.411       1.21284  56.1141      1.67198  56.7408      1.76198  7.48715  0.111656  7.52847  0.117021  
1 1 1 34 21 12 o 5.2413   0.085258  27.4896      0.893725 27.5078      1.19976  27.4669      1.33962  5.24163  0.114445  5.23695  0.1279    
1 1 1 34 21 13 o 9.18625  0.0814715 84.4458      1.49684  86.2428      2.17473  82.8281      2.06335  9.28008  0.117172  9.09492  0.113434  
1 1 1 34 21 14 o 3.02242  0.0945188 9.14417      0.571351 10.6704      0.843858 7.85227      0.776377 3.26349  0.129288  2.79916  0.13868   
1 1 1 34 21 15 o 6.43447  0.075758  41.4321      0.974926 41.4212      1.41479  41.4419      1.34533  6.43107  0.109997  6.43314  0.104563  
1 1 1 34 21 16 o 1.55255  0.182354  2.42161      0.566228 2.8797       0.817204 1.9986       0.785284 1.69006  0.241768  1.37941  0.293428  
1 1 1 34 21 17 o 1.01774  0.272102  1.08398      0.564734 1.84093      0.799906 0.33174      0.797409 1.32124  0.308088  0.810332 0.324515  
1 1 1 34 21 18 o 2.19085  0.143063  4.81688      0.626859 5.16828      0.866669 4.43136      0.907784 2.26616  0.19122   2.09652  0.216498  
1 1 1 34 21 19 o 2.54331  0.126313  6.4885       0.642503 4.76567      0.89641  8.30864      0.921379 2.17408  0.206158  2.87531  0.160223  
1 1 1 34 21 20 o 4.92249  0.0844074 24.2673      0.830989 24.491       1.18244  24.049       1.16809  4.94145  0.119645  4.8967   0.119273  
1 1 1 34 21 21 o 1.1163   0.283369  1.3188       0.633995 1.70092      0.877356 0.901203     0.917178 1.26497  0.339587  1.00539  0.359402  
1 1 1 34 21 22 o 3.44481  0.107296  11.9047      0.739229 12.159       0.995942 11.5926      1.10311  3.47718  0.143211  3.39248  0.162581  
1 1 1 34 21 23 f 1.86513  0.176031  3.51178      0.656641 3.49545      0.937362 3.52752      0.920139 1.85148  0.253139  1.86078  0.247246  
1 1 1 34 21 24 o 2.87079  0.128765  8.28911      0.739317 6.56702      1.05686  9.93944      1.0346   2.54339  0.207765  3.13773  0.164865  
1 1 1 34 21 25 o 0.768071 0.306578  0.332695     0.708722 0.156014     0.999651 0.51125      1.00494  0.835541 0.351546  0.917424 0.36542   
1 1 1 34 21 26 o 3.1605   0.128346  10.0546      0.811274 10.4829      1.14479  9.62239      1.14985  3.2173   0.177912  3.08048  0.186636  
1 1 1 34 21 27 o 2.92136  0.129633  8.60569      0.757407 8.00484      1.04688  9.26565      1.09716  2.80525  0.186592  3.01943  0.181684  
1 1 1 34 21 28 o 1.24249  0.30886   1.68657      0.765167 2.19008      1.0301   1.06675      1.14289  1.40299  0.364044  1.07665  0.399282  
1 1 1 34 21 29 o 2.74877  0.158964  7.67185      0.87391  7.54386      1.16748  7.83496      1.31795  2.70839  0.21553   2.75123  0.23952   
1 1 1 34 21 30 o 1.81225  0.235934  3.41167      0.855142 2.95661      1.16605  3.94121      1.25787  1.61698  0.368625  1.88451  0.346721  
1 1 1 34 21 31 o 1.78048  0.255984  3.32835      0.91155  3.4157       1.22667  3.22061      1.36221  1.73577  0.364901  1.66025  0.411736  
1 1 1 34 21 32 o 1.18143  0.352989  1.58565      0.897496 1.67299      1.26646  1.49753      1.27206  1.21887  0.423631  1.17479  0.42293   
1 1 1 34 21 33 o 0.72465  0.317461  -0.0155336   0.877388 -0.850095    1.20083  0.940252     1.28508  0.714827 0.334867  1.02968  0.412128  
1 1 1 34 21 34 o 1.51835  0.293477  2.61408      0.859392 3.23338      1.21035  1.98441      1.22044  1.63358  0.377711  1.26373  0.416485  
1 1 1 34 21 35 o 1.58629  0.294137  2.90197      0.898159 2.06564      1.25818  3.77101      1.28254  1.25729  0.422876  1.74164  0.378774  
1 1 1 34 21 36 o 0.891551 0.350508  0.835253     0.913513 2.00788      1.30764  -0.282564    1.27672  1.20161  0.42918   0.771106 0.355422  
1 1 1 34 21 37 o 1.65701  0.312528  3.40507      0.997836 2.57861      1.41374  4.22552      1.40858  1.27836  0.447271  1.72409  0.413256  
1 1 1 34 21 38 o 0.902729 0.361685  1.0593       0.991187 1.06147      1.42377  1.05726      1.38072  0.926976 0.405262  0.923576 0.40143   
1 1 1 34 21 39 o 1.1642   0.381659  2.27618      1.02487  3.23656      1.5322   1.49862      1.37868  1.21958  0.460231  0.921689 0.40088   
1 1 1 34 21 40 o 0.637028 0.300244  -0.112718    1.00537  -0.228796    1.50225  -0.0185521   1.35305  0.703215 0.341038  0.703354 0.337084  
1 1 1 34 22 0  o 21.8982  0.224095  480.324      9.81223  480.324      9.81223  480.324      9.81223  21.9073  0.158374  ?        ?         
1 1 1 34 22 1  o 6.69993  0.072681  44.9018      0.973915 45.7782      1.35643  43.9692      1.39921  6.76415  0.100266  6.62897  0.105538  
1 1 1 34 22 2  o 19.928   0.14005   397.546      5.58181  394.357      7.93126  400.674      7.85699  19.8371  0.19991   19.9961  0.196463  
1 1 1 34 22 3  f 8.79489  0.080219  77.3776      1.41103  79.4229      2.17494  75.8911      1.85422  8.9083   0.122074  8.70884  0.106456  
1 1 1 34 22 4  o 7.0543   0.0764802 49.7797      1.07903  48.9326      1.52738  50.6236      1.52458  6.99283  0.109211  7.11272  0.107172  
1 1 1 34 22 5  o 6.37519  0.0783787 40.6577      0.999359 40.1355      1.45815  41.1203      1.37236  6.33279  0.115127  6.41036  0.107042  
1 1 1 34 22 6  o 4.33112  0.0865319 18.7672      0.74956  19.5484      1.08852  18.0627      1.03368  4.41929  0.123156  4.24808  0.121664  
1 1 1 34 22 7  o 3.85659  0.0911524 14.8812      0.703075 14.9745      1.00839  14.793       0.980783 3.86754  0.130366  3.84413  0.127569  
1 1 1 34 22 8  o 11.6642  0.0965882 136.141      2.25325  134.926      3.17015  137.381      3.20326  11.6082  0.136547  11.7133  0.136735  
1 1 1 34 22 9  o 2.85442  0.111725  8.15526      0.637819 7.6092       0.891438 8.72801      0.912973 2.75577  0.16174   2.95167  0.154653  
1 1 1 34 22 10 o 2.7774   0.112247  7.72187      0.62351  8.06825      0.833927 7.28277      0.938935 2.83795  0.146924  2.6953   0.17418   
1 1 1 34 22 11 o 9.75933  0.0885829 95.3135      1.72902  92.5757      2.40981  98.2182      2.4822   9.61466  0.12532   9.90334  0.125321  
1 1 1 34 22 12 o 7.6284   0.0841059 58.2355      1.28319  57.3977      1.76467  59.1755      1.86925  7.5708   0.116544  7.68668  0.12159   
1 1 1 34 22 13 o 9.90602  0.0926381 98.2229      1.83535  98.0135      2.58099  98.4371      2.61042  9.89081  0.130474  9.91198  0.13168   
1 1 1 34 22 14 o 1.77684  0.146674  3.16546      0.521233 3.11346      0.771171 3.2092       0.707241 1.75933  0.219166  1.78714  0.197869  
1 1 1 34 22 15 o 1.76149  0.150799  3.11253      0.531263 3.10681      0.766416 3.11783      0.737082 1.75689  0.218118  1.76045  0.209345  
1 1 1 34 22 16 o 8.69175  0.0823844 75.6227      1.43213  78.1469      2.15859  73.638       1.91406  8.83017  0.122228  8.57324  0.11163   
1 1 1 34 22 17 o 8.29767  0.0821964 68.9287      1.36408  68.1046      1.92417  69.7613      1.93406  8.24314  0.116713  8.34293  0.11591   
1 1 1 34 22 18 o 3.62082  0.0918827 13.131       0.665382 13.5493      0.947738 12.7244      0.934387 3.67523  0.128936  3.5614   0.131183  
1 1 1 34 22 19 o 3.88234  0.0920531 15.0987      0.714763 15.2568      1.0078   14.9387      1.01388  3.89937  0.129226  3.85829  0.13139   
1 1 1 34 22 20 f 4.18892  0.0901667 17.5793      0.755403 15.7304      1.04908  19.5702      1.08862  3.95835  0.132514  4.41628  0.123251  
1 1 1 34 22 21 o 5.12791  0.086492  26.3466      0.887046 24.7495      1.19232  28.3264      1.32749  4.96564  0.120057  5.31153  0.124963  
1 1 1 34 22 22 o 3.56222  0.103621  12.7293      0.738246 14.03        1.03681  11.3917      1.05141  3.73523  0.138789  3.36324  0.15631   
1 1 1 34 22 23 o 1.39688  0.229809  1.98468      0.642033 2.65553      0.914211 1.33184      0.901859 1.5823   0.299771  1.1328   0.357023  
1 1 1 34 22 24 o 6.10957  0.0914117 37.4391      1.11697  37.8857      1.65336  37.0641      1.51497  6.13498  0.134748  6.07093  0.124773  
1 1 1 34 22 25 o 3.37445  0.12059   11.4507      0.813846 11.3348      1.15178  11.5662      1.15012  3.34765  0.172029  3.38208  0.170032  
1 1 1 34 22 26 o 1.10357  0.315786  1.30316      0.732522 1.24979      1.05157  1.35346      1.02099  1.12062  0.386352  1.14694  0.380937  
1 1 1 34 22 27 o 1.14158  0.302678  1.4123       0.702436 1.4938       0.973118 1.32365      1.01499  1.17952  0.370683  1.13097  0.379816  
1 1 1 34 22 28 o 1.66549  0.240391  2.86665      0.800736 3.11377      1.09293  2.5803       1.1765   1.68516  0.336188  1.51355  0.387094  
1 1 1 34 22 29 o 1.92615  0.215413  3.81958      0.829836 4.5873       1.18384  3.07795      1.16355  2.08864  0.2834    1.65875  0.3608    
1 1 1 34 22 30 o 0.784512 0.327557  0.239505     0.857205 -0.221693    1.17503  0.764183     1.25329  0.808494 0.359591  1.01372  0.406476  
1 1 1 34 22 31 f 4.08956  0.127114  16.9349      1.03968  17.0846      1.44019  16.772       1.50246  4.08417  0.176314  4.04131  0.185887  
1 1 1 34 22 32 o 2.20837  0.203488  5.05886      0.898755 4.54879      1.25954  5.58799      1.28285  2.04711  0.307638  2.28396  0.280839  
1 1 1 34 22 33 o 2.23655  0.21245   5.26215      0.950311 4.21935      1.34847  6.29109      1.33946  1.88975  0.369978  2.40278  0.278732  
1 1 1 34 22 34 o 0.882036 0.343444  0.717872     0.872138 1.36972      1.26699  0.130862     1.20233  1.10036  0.417547  0.841606 0.37014   
1 1 1 34 22 35 o 1.84539  0.246281  3.73838      0.908972 4.42718      1.31617  3.11028      1.25684  1.89827  0.359732  1.54271  0.402969  
1 1 1 34 22 36 o 0.693804 0.308144  0.0167579    0.859466 -0.463695    1.21573  0.496796     1.21521  0.729144 0.340167  0.869077 0.377154  
1 1 1 34 22 37 o 1.90557  0.251113  4.20204      0.957026 3.92415      1.37949  4.45989      1.32881  1.62552  0.421047  1.79933  0.380925  
1 1 1 34 22 38 o 0.595139 0.285069  -0.695403    0.964425 -1.25672     1.38741  -0.170579    1.34155  0.655813 0.320284  0.746076 0.3503    
1 1 1 34 22 39 o 1.18561  0.37517   2.36437      0.995007 2.91426      1.43827  1.85962      1.37797  1.15243  0.442659  0.961738 0.409044  
1 1 1 34 22 40 o 0.798518 0.343665  1.08963      0.993181 0.222987     1.44397  1.86776      1.36823  0.703083 0.339634  0.893595 0.39385   
1 1 1 34 23 0  o 6.97027  0.109584  48.6377      1.52681  48.6377      1.52681  48.6377      1.52681  6.97217  0.0774447 ?        ?         
1 1 1 34 23 1  o 5.96182  0.0684125 35.553       0.815725 34.9975      1.16227  36.0923      1.14514  5.91419  0.0982612 6.00608  0.0953317 
1 1 1 34 23 2  o 7.01885  0.0712058 49.2791      0.999567 49.2172      1.38556  49.3463      1.44342  7.01346  0.0987785 7.02248  0.102771  
1 1 1 34 23 3  o 4.64078  0.0716005 21.5435      0.664564 23.087       1.05215  20.5191      0.857198 4.80314  0.109528  4.52856  0.0946435 
1 1 1 34 23 4  o 5.47078  0.0762224 29.9403      0.833993 29.8633      1.16981  30.0198      1.18931  5.46276  0.107072  5.47701  0.108573  
1 1 1 34 23 5  o 6.4297   0.0808449 41.3585      1.03962  40.9741      1.52271  41.6941      1.42285  6.39814  0.118996  6.45454  0.110221  
1 1 1 34 23 6  o 5.18406  0.0785488 26.8857      0.814403 25.9512      1.10336  28.0041      1.2071   5.09219  0.108339  5.28954  0.114102  
1 1 1 34 23 7  o 4.1785   0.0815937 17.4682      0.681879 17.6307      0.960706 17.3032      0.967981 4.1969   0.114454  4.15768  0.116409  
1 1 1 34 23 8  o 5.832    0.0738102 34.0265      0.860922 34.0829      1.21574  33.9697      1.21933  5.8356   0.104165  5.82588  0.104647  
1 1 1 34 23 9  o 13.9306  0.110573  194.261      3.08069  196.755      4.40605  191.876      4.30908  14.0123  0.157221  13.8378  0.1557    
1 1 1 34 23 10 f 1.96013  0.148677  3.85011      0.582851 4.51927      0.794645 3.07093      0.857488 2.12236  0.187208  1.74747  0.245352  
1 1 1 34 23 11 o 5.62591  0.0777204 31.6708      0.874496 32.3119      1.23756  31.0315      1.23589  5.68085  0.108924  5.56703  0.111001  
1 1 1 34 23 12 o 3.33194  0.0982121 11.1137      0.654474 10.0856      0.898436 12.2762      0.955312 3.17224  0.141609  3.50012  0.136468  
1 1 1 34 23 13 o 7.12878  0.0834146 50.8623      1.18929  49.8211      1.66615  51.9438      1.69812  7.05244  0.118126  7.20114  0.117906  
1 1 1 34 23 14 o 3.25608  0.0878342 10.6132      0.571991 11.66        0.87989  9.84701      0.752746 3.41083  0.128985  3.13494  0.120057  
1 1 1 34 23 15 o 2.97899  0.0932699 8.88569      0.555701 9.08577      0.799105 8.69833      0.77329  3.01036  0.132726  2.94556  0.131264  
1 1 1 34 23 16 o 2.10956  0.136957  4.46369      0.577838 3.86909      0.788068 5.15506      0.849791 1.96057  0.200979  2.264    0.187675  
1 1 1 34 23 17 o 7.37591  0.0806859 54.468       1.19026  56.4283      1.70048  52.5851      1.6666   7.50314  0.113318  7.24287  0.115051  
1 1 1 34 23 18 o 3.12331  0.100096  9.7746       0.625265 9.33252      0.883408 10.2184      0.885111 3.04855  0.14489   3.19052  0.13871   
1 1 1 34 23 19 o 4.0402   0.0945763 16.3547      0.764214 15.9526      1.06736  16.7777      1.09468  3.98642  0.133874  4.08821  0.133883  
1 1 1 34 23 20 o 5.7634   0.0825609 33.2722      0.951663 33.9017      1.33762  32.6269      1.35424  5.81313  0.115052  5.70218  0.118748  
1 1 1 34 23 21 o 3.30719  0.110293  10.9748      0.72952  10.4348      0.986514 11.6266      1.08372  3.21979  0.153196  3.39777  0.159474  
1 1 1 34 23 22 o 5.06114  0.0886299 25.6773      0.897137 25.7407      1.23856  25.6073      1.30125  5.06181  0.122343  5.04739  0.128903  
1 1 1 34 23 23 o 0.884147 0.309577  0.727152     0.677384 0.477417     0.979895 0.955719     0.937445 0.901984 0.360346  1.01886  0.363438  
1 1 1 34 23 24 o 1.89234  0.189504  3.62713      0.717211 3.98456      1.01705  3.27356      1.01155  1.9725   0.257808  1.78347  0.283592  
1 1 1 34 23 25 o 2.99008  0.129758  9.00061      0.77597  8.04549      1.05661  10.1189      1.14328  2.81665  0.187565  3.16034  0.18088   
1 1 1 34 23 26 f 1.62022  0.217874  2.68662      0.706006 3.26226      1.00722  2.13062      0.989889 1.77145  0.284293  1.3912   0.354635  
1 1 1 34 23 27 o 3.90401  0.109028  15.3394      0.851293 14.8711      1.16027  15.8855      1.25287  3.83252  0.151372  3.95882  0.158238  
1 1 1 34 23 28 o 2.08314  0.203215  4.4468       0.846651 5.52529      1.17493  3.28188      1.2211   2.30606  0.254747  1.7154   0.366638  
1 1 1 34 23 29 o 1.91077  0.219179  3.76912      0.837601 3.89679      1.15691  3.62848      1.21426  1.91606  0.301898  1.8082   0.348192  
1 1 1 34 23 30 o 3.13173  0.148486  9.97115      0.930037 11.2555      1.30384  8.64071      1.32701  3.30667  0.197153  2.88231  0.230199  
1 1 1 34 23 31 o 2.1193   0.211754  4.66428      0.897543 5.10245      1.24729  4.19374      1.29255  2.18398  0.285555  1.92869  0.347792  
1 1 1 34 23 32 o 1.32817  0.342222  2.04172      0.914482 2.40138      1.37699  1.75791      1.22318  1.39873  0.441219  1.22705  0.416952  
1 1 1 34 23 33 o 2.37162  0.196915  5.89074      0.934017 6.0151       1.32022  5.76613      1.32158  2.34217  0.281836  2.28817  0.288786  
1 1 1 34 23 34 o 1.50329  0.297163  2.5993       0.861649 1.52764      1.19275  3.769        1.24611  1.12641  0.409136  1.76253  0.365741  
1 1 1 34 23 35 o 1.17234  0.352673  1.73688      0.893836 0.999535     1.27862  2.44159      1.25001  0.981808 0.404187  1.33238  0.420393  
1 1 1 34 23 36 o 1.38737  0.317138  2.37961      0.861171 1.64705      1.22296  3.10011      1.21286  1.09841  0.411898  1.50591  0.397015  
1 1 1 34 23 37 o 0.58578  0.28079   -0.755708    0.939988 -0.0837622   1.35407  -1.38072     1.30592  0.769208 0.358912  0.634019 0.309895  
1 1 1 34 23 38 o 0.666592 0.307041  -0.0131718   0.950694 -0.682768    1.34467  0.656057     1.3443   0.678393 0.327714  0.825463 0.374866  
1 1 1 34 23 39 o 0.814827 0.346605  0.963951     0.989619 3.11511      1.46488  -0.842025    1.34222  1.18372  0.449032  0.639292 0.312867  
1 1 1 34 24 0  o 3.18573  0.129808  10.2048      0.823948 10.2048      0.823948 10.2048      0.823948 3.19013  0.091486  ?        ?         
1 1 1 34 24 1  o 5.76328  0.0691493 33.2257      0.797054 33.4794      1.13476  32.9787      1.1198   5.78431  0.0980896 5.74091  0.0975277 
1 1 1 34 24 2  o 17.5247  0.128859  307.449      4.51644  307.322      6.38195  307.576      6.39247  17.5113  0.182224  17.5185  0.182449  
1 1 1 34 24 3  o 1.98158  0.120857  3.93051      0.478975 4.00099      0.645382 3.84409      0.714648 1.99848  0.161468  1.95842  0.182455  
1 1 1 34 24 4  o 7.82798  0.0805662 61.3048      1.26134  58.808       1.77082  63.8762      1.79708  7.66506  0.115513  7.98873  0.112476  
1 1 1 34 24 5  o 1.8626   0.157926  3.4755       0.588306 2.74112      0.859871 4.1218       0.806657 1.65156  0.26032   2.0273   0.198948  
1 1 1 34 24 6  o 7.71683  0.0765347 59.5759      1.18121  58.5223      1.6255   60.7548      1.71943  7.64668  0.106288  7.7909   0.110348  
1 1 1 34 24 7  o 6.2947   0.073628  39.6406      0.926932 39.3791      1.29518  39.9152      1.32717  6.27256  0.103242  6.315    0.105081  
1 1 1 34 24 8  o 5.22841  0.0773158 27.3507      0.808478 26.5483      1.093    28.3201      1.2014   5.14994  0.106117  5.31867  0.112942  
1 1 1 34 24 9  o 3.89481  0.0846585 15.1802      0.659457 15.5328      0.902934 14.7771      0.965425 3.93865  0.114625  3.84114  0.125669  
1 1 1 34 24 10 o 4.87352  0.0779195 23.7664      0.759484 23.2245      1.05533  24.3487      1.09385  4.81614  0.109561  4.93125  0.11091   
1 1 1 34 24 11 o 3.16394  0.0988645 10.0214      0.625602 9.8863       0.865036 10.1696      0.905844 3.14092  0.137704  3.18538  0.142188  
1 1 1 34 24 12 o 1.16323  0.256003  1.41733      0.579484 1.14681      0.841856 1.66093      0.798862 1.0757   0.345571  1.25678  0.317523  
1 1 1 34 24 13 o 8.87692  0.0852257 78.8765      1.51308  78.2652      2.10152  79.5345      2.1803   8.83839  0.118886  8.90927  0.122361  
1 1 1 34 24 14 o 6.39694  0.0762478 40.9552      0.975505 41.6017      1.36663  40.2836      1.39289  6.44467  0.106028  6.34138  0.109826  
1 1 1 34 24 15 o 4.21803  0.0802297 17.8098      0.676823 17.9474      0.92479  17.6511      0.993213 4.23241  0.109251  4.19665  0.118334  
1 1 1 34 24 16 o 5.81683  0.0742699 33.8684      0.864031 34.5788      1.23052  33.1776      1.21351  5.87467  0.104731  5.75433  0.105443  
1 1 1 34 24 17 o 1.57698  0.17757   2.50218      0.560048 2.6795       0.784854 2.31822      0.7994   1.62772  0.24109   1.48804  0.278912  
1 1 1 34 24 18 o 3.14714  0.10096   9.92565      0.635472 10.3911      0.918077 9.49757      0.880488 3.21671  0.142704  3.07526  0.143157  
1 1 1 34 24 19 o 4.01007  0.0910928 16.1118      0.730577 15.5671      0.989985 16.7632      1.0826   3.93828  0.125688  4.08594  0.132478  
1 1 1 34 24 20 o 6.86488  0.0803279 47.2083      1.10288  47.2728      1.58185  47.1472      1.53847  6.86339  0.115238  6.85489  0.112217  
1 1 1 34 24 21 o 3.93697  0.0985876 15.5444      0.776272 14.49        1.08085  16.6677      1.11561  3.79525  0.142394  4.07136  0.137007  
1 1 1 34 24 22 o 6.49449  0.0833198 42.2746      1.08224  43.6108      1.5314   40.9414      1.52964  6.58906  0.116208  6.38332  0.119815  
1 1 1 34 24 23 o 3.19173  0.121169  10.2409      0.773476 10.521       1.11212  9.97849      1.07647  3.2263   0.172352  3.14222  0.171292  
1 1 1 34 24 24 o 2.10968  0.174419  4.50298      0.735938 4.36759      1.04062  4.63845      1.04093  2.06469  0.252004  2.12926  0.244435  
1 1 1 34 24 25 o 1.19819  0.3041    1.54782      0.730256 0.342915     0.996384 2.94615      1.07339  0.871895 0.357508  1.65031  0.336864  
1 1 1 34 24 26 o 2.34677  0.154013  5.57341      0.722866 5.06066      1.00585  6.1211       1.03956  2.221    0.226441  2.44633  0.212473  
1 1 1 34 24 27 o 3.65496  0.12322   13.4754      0.900727 13.1994      1.196    13.837       1.36912  3.6046   0.165899  3.68329  0.185855  
1 1 1 34 24 28 o 0.912865 0.332981  0.765786     0.790779 1.57287      1.09906  -0.100481    1.13865  1.2033   0.395233  0.822416 0.36096   
1 1 1 34 24 29 o 3.67389  0.13283   13.6711      0.976002 13.1163      1.36445  14.2524      1.39666  3.57463  0.190852  3.728    0.18732   
1 1 1 34 24 30 o 1.55912  0.284485  2.64826      0.854188 1.86254      1.23089  3.37814      1.18635  1.2801   0.418265  1.73106  0.35488   
1 1 1 34 24 31 o 2.05519  0.221134  4.40581      0.908943 4.86157      1.28137  3.94421      1.28955  2.12118  0.302042  1.86007  0.359468  
1 1 1 34 24 32 o 0.689103 0.308434  -0.196599    0.876767 -0.00929062  1.34501  -0.335004    1.15617  0.871085 0.386357  0.766429 0.347948  
1 1 1 34 24 33 o 3.78717  0.135962  14.6757      1.02982  15.9982      1.45988  13.3658      1.45292  3.91496  0.186449  3.56383  0.203843  
1 1 1 34 24 34 o 1.19876  0.354026  1.76925      0.906609 2.85627      1.22472  0.451422     1.34848  1.48735  0.402092  0.914136 0.397011  
1 1 1 34 24 35 o 1.43327  0.329787  2.53577      0.926296 1.91282      1.2814   3.21757      1.34057  1.17938  0.42449   1.52282  0.424477  
1 1 1 34 24 36 f 0.842321 0.341858  0.734889     0.901722 0.033066     1.27318  1.44124      1.27728  0.788633 0.359922  1.02946  0.411361  
1 1 1 34 24 37 o 0.839173 0.349914  0.784427     0.976207 0.108137     1.45022  1.34478      1.32007  0.803287 0.373504  0.971692 0.406147  
1 1 1 34 24 38 o 0.520705 0.25675   -1.29643     0.96782  0.499767     1.45769  -2.71242     1.29425  0.79349  0.371076  0.522389 0.26347   
1 1 1 34 24 39 o 0.509275 0.25213   -1.30541     0.957319 -0.833508    1.42737  -1.69123     1.29064  0.651123 0.319787  0.567837 0.282959  
1 1 1 34 25 0  f 13.9078  0.157705  193.674      4.38537  193.674      4.38537  193.674      4.38537  13.9122  0.111463  ?        ?         
1 1 1 34 25 1  o 6.03722  0.0721375 36.4617      0.871019 35.5935      1.19885  37.4325      1.26764  5.96382  0.10051   6.1158   0.103636  
1 1 1 34 25 2  o 4.47862  0.0749323 20.0663      0.671187 19.8855      0.942456 20.2524      0.956094 4.45746  0.105717  4.49838  0.106271  
1 1 1 34 25 3  o 9.34966  0.0861274 87.4649      1.61052  85.7534      2.21938  89.3685      2.34071  9.25526  0.119898  9.44798  0.123874  
1 1 1 34 25 4  o 5.55274  0.0768812 30.847       0.853802 30.7369      1.1886   30.9645      1.22724  5.54158  0.107244  5.56191  0.110326  
1 1 1 34 25 5  o 10.2301  0.0896158 104.723      1.83355  103.553      2.54411  105.987      2.64488  10.1696  0.125085  10.288   0.128542  
1 1 1 34 25 6  o 6.79155  0.0767239 46.1487      1.04215  45.3804      1.43214  47.0134      1.51937  6.73318  0.106349  6.85296  0.110855  
1 1 1 34 25 7  f 4.44483  0.0826419 19.7692      0.734657 20.0764      0.991346 19.3948      1.09417  4.4781   0.110688  4.40077  0.124316  
1 1 1 34 25 8  o 9.09726  0.086741  82.8243      1.57821  84.008       2.20384  81.5783      2.26112  9.15883  0.120312  9.02485  0.125272  
1 1 1 34 25 9  o 1.82908  0.137468  3.35235      0.50288  3.28174      0.622777 3.48464      0.852491 1.80869  0.172162  1.8615   0.22898   
1 1 1 34 25 10 o 7.78436  0.0783446 60.6382      1.21972  60.9033      1.74397  60.3844      1.70654  7.79853  0.111814  7.76543  0.10988   
1 1 1 34 25 11 o 1.43007  0.181368  2.0533       0.518736 1.47729      0.712592 2.70264      0.756591 1.18598  0.300041  1.63863  0.23086   
1 1 1 34 25 12 o 5.43863  0.0795804 29.6039      0.865618 28.1443      1.26898  30.8742      1.1838   5.30002  0.119714  5.55221  0.106606  
1 1 1 34 25 13 o 6.71327  0.0822337 45.1119      1.10411  45.0677      1.584    45.1536      1.53984  6.70647  0.118095  6.71325  0.114687  
1 1 1 34 25 14 f 4.5197   0.0849344 20.4506      0.767756 20.0403      1.05064  20.9208      1.12467  4.47178  0.117475  4.56848  0.123091  
1 1 1 34 25 15 o 3.19777  0.0894448 10.2399      0.572049 9.56784      0.812411 10.9008      0.805629 3.08854  0.13152   3.29735  0.122163  
1 1 1 34 25 16 o 1.05176  0.255531  1.16455      0.53297  1.15514      0.763639 1.1735       0.744205 1.06297  0.32724   1.06769  0.321926  
1 1 1 34 25 17 o 8.12913  0.0792104 66.1681      1.28782  64.9955      1.77567  67.4693      1.87054  8.05197  0.110263  8.20307  0.114015  
1 1 1 34 25 18 o 6.85892  0.0783204 47.1097      1.07439  47.2415      1.52949  46.9813      1.50953  6.8637   0.111419  6.84497  0.110265  
1 1 1 34 25 19 o 1.44422  0.203866  2.1079       0.588856 1.90627      0.795963 2.35168      0.8752   1.33931  0.304036  1.49033  0.304153  
1 1 1 34 25 20 o 3.5963   0.0973843 12.9685      0.700445 12.9117      1.00319  13.0225      0.978436 3.58331  0.13998   3.59923  0.135923  
1 1 1 34 25 21 o 4.23251  0.0915501 17.9613      0.774973 17.5824      1.07735  18.3675      1.1156   4.18218  0.128803  4.27422  0.130504  
1 1 1 34 25 22 o 5.41747  0.0900153 29.4338      0.975311 29.751       1.35099  29.0886      1.40947  5.43943  0.124185  5.37685  0.131068  
1 1 1 34 25 23 f 1.34059  0.271142  1.90711      0.701567 0.996561     0.991373 2.82057      0.99296  1.04154  0.373524  1.62466  0.316895  
1 1 1 34 25 24 o 3.40524  0.117846  11.66        0.80259  10.8968      1.08621  12.5777      1.1911   3.28303  0.165428  3.52635  0.168885  
1 1 1 34 25 25 o 1.27204  0.289333  1.74696      0.719686 1.37867      0.996631 2.14828      1.04036  1.14718  0.376364  1.39484  0.367685  
1 1 1 34 25 26 o 2.64747  0.140308  7.08319      0.742919 6.36584      1.04591  7.81368      1.05545  2.49369  0.209712  2.76833  0.190629  
1 1 1 34 25 27 o 0.9377   0.325613  0.866533     0.748061 1.67454      1.03621  -0.0129176   1.08105  1.23351  0.381489  0.819471 0.355678  
1 1 1 34 25 28 o 1.28268  0.315203  1.81864      0.803918 1.37667      1.09634  2.33267      1.18235  1.14345  0.394466  1.42904  0.398741  
1 1 1 34 25 29 o 1.42788  0.296238  2.2416       0.817648 2.42493      1.13155  2.04127      1.18281  1.45206  0.383779  1.33247  0.406675  
1 1 1 34 25 30 o 1.5801   0.286066  2.7313       0.87082  2.59994      1.26212  2.85066      1.20305  1.48553  0.411138  1.56679  0.385944  
1 1 1 34 25 31 o 2.0737   0.218072  4.49437      0.904433 4.52381      1.31386  4.46785      1.24689  2.02852  0.323849  2.02473  0.307913  
1 1 1 34 25 32 o 0.930285 0.348476  0.862945     0.874882 2.18936      1.28165  -0.294451    1.19721  1.32503  0.426457  0.781427 0.354558  
1 1 1 34 25 33 o 2.9535   0.161686  9.0271       0.955078 8.11667      1.35022  9.93878      1.35115  2.73981  0.246408  3.05415  0.221199  
1 1 1 34 25 34 o 1.11924  0.356172  1.55674      0.895854 1.61689      1.22738  1.48818      1.31056  1.12596  0.414437  1.09672  0.422247  
1 1 1 34 25 35 o 3.35426  0.146695  11.7175      0.984104 10.8676      1.38003  12.5968      1.40374  3.15466  0.218729  3.41311  0.205639  
1 1 1 34 25 36 o 1.19186  0.358768  1.96619      0.924805 3.73694      1.3395   0.353354     1.27838  1.5887   0.416487  0.821461 0.369876  
1 1 1 34 25 37 o 1.38838  0.3569    2.71866      0.996333 3.86609      1.42554  1.62289      1.39308  1.53441  0.441003  1.01166  0.419673  
1 1 1 34 25 38 o 1.10684  0.366115  2.03871      0.943087 1.71666      1.35133  2.3445       1.31679  0.94199  0.402989  1.069    0.420648  
1 1 1 34 25 39 o 0.666693 0.309766  0.252059     0.995166 0.554631     1.4985   0.0133213    1.33108  0.744521 0.356313  0.681068 0.328317  
1 1 1 34 26 0  o 3.25309  0.13152   10.6419      0.852517 10.6419      0.852517 10.6419      0.852517 3.25766  0.0926934 ?        ?         
1 1 1 34 26 1  o 7.88917  0.0770357 62.2695      1.2155   61.9099      1.74045  62.6117      1.69827  7.86428  0.110655  7.90897  0.107363  
1 1 1 34 26 2  o 5.47984  0.0699149 30.041       0.766245 30.033       1.07838  30.0492      1.08896  5.478    0.0984285 5.47943  0.0993684 
1 1 1 34 26 3  o 15.0404  0.117629  226.483      3.53838  224.409      5.01719  228.536      4.99097  14.962   0.167664  15.0995  0.165269  
1 1 1 34 26 4  o 7.38192  0.0779813 54.5226      1.1513   54.033       1.60949  55.0357      1.64755  7.34674  0.109538  7.41447  0.111104  
1 1 1 34 26 5  o 1.49255  0.183007  2.23482      0.546295 2.75212      0.785965 1.75132      0.759852 1.65452  0.23752   1.2924   0.299568  
1 1 1 34 26 6  o 0.65101  0.265348  0.157262     0.545621 1.09919      0.758544 -0.852563    0.785407 1.04648  0.326955  0.569271 0.26745   
1 1 1 34 26 7  o 2.6761   0.130333  7.17441      0.697567 6.48344      0.980821 7.88164      0.992297 2.54128  0.192978  2.8028   0.177019  
1 1 1 34 26 8  o 5.00056  0.0850194 25.0255      0.85029  24.4426      1.19344  25.6265      1.21175  4.93998  0.120794  5.05827  0.11978   
1 1 1 34 26 9  o 2.42528  0.136532  5.89464      0.662257 5.8188       0.927079 5.97366      0.946363 2.40705  0.192576  2.43879  0.194023  
1 1 1 34 26 10 o 7.5618   0.0847378 57.232       1.28154  57.0267      1.7928   57.4464      1.8326   7.54495  0.118808  7.57242  0.121005  
1 1 1 34 26 11 o 3.50458  0.088608  12.2952      0.621068 12.4686      0.796409 12.0262      0.992145 3.52803  0.112869  3.46304  0.143248  
1 1 1 34 26 12 o 4.2071   0.0817795 17.7168      0.688109 17.9984      0.941985 17.3946      1.00759  4.23865  0.111119  4.16626  0.120923  
1 1 1 34 26 13 o 4.10235  0.0869695 16.849       0.713559 17.2406      0.997122 16.438       1.02157  4.14748  0.120208  4.04933  0.126141  
1 1 1 34 26 14 o 4.60372  0.0797301 21.2173      0.73411  21.9405      1.02116  20.4437      1.0561   4.67927  0.109115  4.51615  0.116925  
1 1 1 34 26 15 o 2.84336  0.0905942 8.09714      0.515183 9.02046      0.760046 7.31232      0.700722 2.99888  0.126722  2.69986  0.12977   
1 1 1 34 26 16 o 4.7754   0.0782293 22.8328      0.747152 23.9656      1.10469  21.8777      1.01434  4.88916  0.112974  4.6718   0.10856   
1 1 1 34 26 17 o 8.94028  0.0853091 80.056       1.52537  80.1965      2.22898  79.9322      2.09195  8.94015  0.124661  8.92716  0.117168  
1 1 1 34 26 18 o 2.87313  0.107657  8.27835      0.618624 8.32671      0.85241  8.22452      0.899196 2.87789  0.148097  2.8592   0.157246  
1 1 1 34 26 19 o 1.28543  0.238036  1.73012      0.588955 1.51222      0.789995 2.00276      0.883672 1.19251  0.323187  1.36848  0.326881  
1 1 1 34 26 20 o 2.21734  0.139043  4.94548      0.616611 4.49738      0.85581  5.42922      0.889188 2.10756  0.203033  2.31716  0.19187   
1 1 1 34 26 21 o 4.61078  0.0880765 21.3149      0.812202 21.047       1.18151  21.5551      1.11835  4.5747   0.129135  4.63124  0.12074   
1 1 1 34 26 22 o 2.48813  0.145616  6.2379       0.724625 4.76807      0.990005 7.934        1.06348  2.16319  0.228829  2.79852  0.190008  
1 1 1 34 26 23 o 1.60042  0.21608   2.60813      0.691639 2.13133      0.962659 3.11685      0.994361 1.40064  0.345374  1.73785  0.28609   
1 1 1 34 26 24 o 2.77965  0.137469  7.78884      0.764233 7.60923      1.06231  7.98151      1.10026  2.7364   0.194108  2.80202  0.196334  
1 1 1 34 26 25 o 2.28462  0.162326  5.28911      0.741708 5.10146      1.03321  5.48863      1.06539  2.22856  0.231812  2.31195  0.23041   
1 1 1 34 26 26 o 2.6969   0.141111  7.35639      0.761122 7.51764      1.07945  7.19696      1.07335  2.71106  0.199083  2.65161  0.202396  
1 1 1 34 26 27 o 3.76241  0.121929  14.2865      0.917497 13.7138      1.26617  14.9196      1.33135  3.66907  0.172547  3.8264   0.17397   
1 1 1 34 26 28 o 2.92775  0.150553  8.71099      0.881562 8.9565       1.23854  8.45888      1.25506  2.94657  0.210166  2.8596   0.219447  
1 1 1 34 26 29 o 1.52507  0.283728  2.53426      0.833092 2.78635      1.18547  2.2883       1.171    1.55571  0.38305   1.40566  0.398324  
1 1 1 34 26 30 o 1.2475   0.337688  1.77141      0.863115 0.945949     1.21134  2.62269      1.23014  1.03332  0.404263  1.48911  0.403166  
1 1 1 34 26 31 o 0.576571 0.271736  -0.778565    0.823315 -1.39516     1.15023  -0.130742    1.17899  0.638399 0.307122  0.807149 0.35956   
1 1 1 34 26 32 o 0.614313 0.286481  -0.595083    0.861187 -1.15294     1.25177  -0.0937632   1.18664  0.691602 0.329708  0.805291 0.359672  
1 1 1 34 26 33 o 1.5768   0.296221  2.86196      0.899776 2.37204      1.27232  3.35211      1.27263  1.34599  0.424028  1.63043  0.394073  
1 1 1 34 26 34 o 1.23028  0.354293  1.92903      0.919179 2.57699      1.27023  1.21675      1.33178  1.36214  0.4226    1.02605  0.415855  
1 1 1 34 26 35 o 1.1023   0.356595  1.5943       0.895291 0.326957     1.32886  2.64773      1.21153  0.85138  0.380426  1.36584  0.410533  
1 1 1 34 26 36 o 0.757677 0.327623  0.431467     0.910738 -0.0314233   1.30675  0.868683     1.26999  0.765619 0.355434  0.889031 0.385684  
1 1 1 34 26 37 o 0.725075 0.322433  0.366335     0.944363 0.420649     1.36226  0.316083     1.31032  0.794957 0.366689  0.775729 0.358509  
1 1 1 34 26 38 o 0.805351 0.339803  0.921992     0.938355 1.03459      1.3727   0.823228     1.28564  0.833911 0.37873   0.802516 0.365017  
1 1 1 34 26 39 o 1.04426  0.369971  2.17885      0.969976 1.77064      1.41472  2.54097      1.33248  0.84082  0.382564  0.977805 0.408334  
1 1 1 34 27 0  o 12.1956  0.138596  148.928      3.37954  148.928      3.37954  148.928      3.37954  12.1996  0.0979556 ?        ?         
1 1 1 34 27 1  o 9.79137  0.0839688 95.9365      1.64434  95.0609      2.24855  96.9431      2.41082  9.74366  0.115385  9.83884  0.122515  
1 1 1 34 27 2  o 5.68352  0.0682682 32.3173      0.776007 31.3213      1.06038  33.4658      1.13868  5.59407  0.0947771 5.78221  0.0984639 
1 1 1 34 27 3  o 10.836   0.0901604 117.516      1.95395  116.212      2.72     118.906      2.80874  10.7715  0.12626   10.8952  0.128897  
1 1 1 34 27 4  o 1.50594  0.182978  2.27578      0.551109 2.18885      0.754637 2.37513      0.806742 1.45099  0.270121  1.51162  0.277186  
1 1 1 34 27 5  o 7.28178  0.0784066 53.059       1.14188  54.2555      1.6085   51.8434      1.62129  7.36117  0.109256  7.19539  0.112662  
1 1 1 34 27 6  o 4.2947   0.0961687 18.4631      0.82603  19.0547      1.10789  17.7226      1.23953  4.36132  0.127013  4.20481  0.147395  
1 1 1 34 27 7  o 8.91982  0.0919652 79.6397      1.64063  83.0832      2.34665  76.3472      2.29462  9.10639  0.128847  8.7291   0.131435  
1 1 1 34 27 8  o 1.71489  0.195758  2.95437      0.671406 1.96932      0.933631 4.00941      0.966232 1.36704  0.341994  1.99532  0.242125  
1 1 1 34 27 9  o 3.65021  0.101919  13.3419      0.74405  13.3931      1.04341  13.2889      1.06131  3.65486  0.142743  3.64041  0.145767  
1 1 1 34 27 10 o 12.0753  0.103779  146.029      2.50632  143.243      3.50773  148.936      3.58238  11.9506  0.146759  12.1857  0.146991  
1 1 1 34 27 11 f 3.25615  0.111945  10.6219      0.729021 10.4029      1.00437  10.8658      1.05985  3.21959  0.155978  3.29006  0.161068  
1 1 1 34 27 12 o 2.4123   0.112127  5.83062      0.540968 5.96656      0.710525 5.64314      0.834407 2.43857  0.145685  2.36973  0.176055  
1 1 1 34 27 13 o 5.90373  0.0775798 34.89        0.916021 34.6993      1.34078  35.0568      1.25443  5.88403  0.113933  5.91515  0.106035  
1 1 1 34 27 14 o 2.4945   0.116069  6.23819      0.57907  6.22263      0.793172 6.25596      0.847369 2.48862  0.15936   2.49448  0.169849  
1 1 1 34 27 15 o 3.20231  0.0857598 10.27        0.549258 10.0561      0.801739 10.4591      0.753994 3.16604  0.126615  3.22965  0.11673   
1 1 1 34 27 16 o 3.40629  0.0884803 11.6223      0.60278  12.8349      0.876635 10.5349      0.830179 3.57687  0.122542  3.24008  0.128111  
1 1 1 34 27 17 o 0.81775  0.273772  0.642506     0.527345 1.31968      0.754565 -0.0040184   0.737291 1.12084  0.32043   0.697339 0.297976  
1 1 1 34 27 18 o 5.69929  0.0784867 32.5361      0.894636 31.9113      1.21658  33.2718      1.32017  5.6402   0.107849  5.75801  0.114638  
1 1 1 34 27 19 o 1.77297  0.167614  3.1695       0.594347 2.60055      0.836253 3.75025      0.84488  1.59662  0.261882  1.92298  0.21968   
1 1 1 34 27 20 o 3.99126  0.0923224 15.974       0.736966 15.5795      1.01659  16.411       1.06991  3.93635  0.129128  4.03946  0.132432  
1 1 1 34 27 21 o 3.4766   0.105501  12.1353      0.733571 11.1499      1.04658  13.087       1.02851  3.32423  0.157416  3.6043   0.142679  
1 1 1 34 27 22 o 4.38262  0.100169  19.2789      0.878004 18.4582      1.21184  20.1857      1.27385  4.28031  0.141559  4.47596  0.142299  
1 1 1 34 27 23 o 2.29734  0.153467  5.3276       0.70513  5.13332      0.945543 5.57102      1.05838  2.24565  0.210528  2.33618  0.226519  
1 1 1 34 27 24 o 3.71779  0.109452  13.9043      0.813835 15.3782      1.18129  12.5726      1.12281  3.8995   0.151467  3.5238   0.159318  
1 1 1 34 27 25 o 2.05366  0.177328  4.2892       0.728344 3.75992      0.996882 4.89525      1.06673  1.90399  0.261787  2.17738  0.244957  
1 1 1 34 27 26 o 0.913454 0.319935  0.810694     0.723516 0.839748     1.02217  0.781522     1.02424  0.989524 0.375173  0.974454 0.373767  
1 1 1 34 27 27 o 3.47765  0.138736  12.2475      0.964952 12.0314      1.32593  12.4909      1.40698  3.42643  0.193485  3.4876   0.201711  
1 1 1 34 27 28 o 1.71502  0.232878  3.06097      0.798779 3.0001       1.10974  3.12641      1.15066  1.6324   0.350021  1.66427  0.356049  
1 1 1 34 27 29 o 4.05594  0.11973   16.6399      0.971238 18.1412      1.34889  15.0236      1.39959  4.21619  0.159965  3.82502  0.182953  
1 1 1 34 27 30 o 1.11935  0.345881  1.41406      0.852045 2.55134      1.18568  0.199593     1.22525  1.46827  0.395046  0.883971 0.38109   
1 1 1 34 27 31 o 2.55008  0.176057  6.73487      0.897919 5.87446      1.24871  7.65611      1.2921   2.32911  0.268066  2.67854  0.241195  
1 1 1 34 27 32 o 0.901635 0.338513  0.814286     0.826498 1.45336      1.21156  0.258025     1.13035  1.11792  0.41173   0.844775 0.365135  
1 1 1 34 27 33 o 0.992619 0.358722  1.13863      0.915906 0.552029     1.32348  1.67777      1.26882  0.921382 0.396632  1.14882  0.421517  
1 1 1 34 27 34 o 0.698722 0.313905  -0.061436    0.915642 1.09818      1.32897  -1.10936     1.26335  0.99832  0.411708  0.674823 0.323967  
1 1 1 34 27 35 o 0.707397 0.313672  0.128879     0.885754 0.361954     1.30371  -0.0709489   1.20715  0.836183 0.375139  0.757102 0.347582  
1 1 1 34 27 36 o 0.608717 0.287455  -0.51324     0.930151 -1.45603     1.37287  0.286768     1.26465  0.642295 0.314864  0.795003 0.361714  
1 1 1 34 27 37 o 0.924218 0.354881  1.35529      0.924166 1.62471      1.32179  1.09763      1.29264  0.946764 0.401569  0.860352 0.380536  
1 1 1 34 27 38 o 0.676202 0.308378  0.251753     0.930949 1.47991      1.36803  -0.807529    1.2705   0.889293 0.392644  0.623952 0.305134  
1 1 1 34 28 0  o 0.787024 0.37527   0.918549     0.670749 0.918549     0.670749 0.918549     0.670749 0.823911 0.309345  ?        ?         
1 1 1 34 28 1  o 2.73203  0.0920283 7.47078      0.502848 7.27528      0.70916  7.66847      0.713125 2.69477  0.131581  2.76674  0.128875  
1 1 1 34 28 2  o 9.06871  0.0767023 82.294       1.39118  82.4318      1.98996  82.1622      1.94564  9.07329  0.10966   9.05869  0.107391  
1 1 1 34 28 3  o 4.88945  0.0721131 23.9204      0.705187 23.092       0.96566  24.867       1.03224  4.80275  0.100532  4.98375  0.10356   
1 1 1 34 28 4  o 2.57764  0.108296  6.65296      0.558298 6.95054      0.793742 6.36158      0.785428 2.63304  0.150727  2.51879  0.155914  
1 1 1 34 28 5  o 9.46268  0.0884015 89.6226      1.67303  87.2997      2.32309  92.1254      2.41142  9.33511  0.124428  9.58947  0.125733  
1 1 1 34 28 6  o 5.83505  0.0849388 34.0772      0.991244 33.448       1.36581  34.7775      1.44087  5.77858  0.118178  5.89195  0.122274  
1 1 1 34 28 7  o 6.09315  0.0832392 37.159       1.01438  37.1417      1.44007  37.1761      1.42909  6.08901  0.118251  6.09192  0.117294  
1 1 1 34 28 8  o 4.2304   0.0929102 17.9171      0.786095 18.0725      1.11396  17.763       1.10946  4.24626  0.13117   4.2097   0.131775  
1 1 1 34 28 9  o 4.25402  0.0902195 18.1175      0.767592 19.3419      1.10788  16.9871      1.0645   4.393    0.126096  4.11667  0.129291  
1 1 1 34 28 10 o 8.94223  0.0860977 80.0514      1.53981  78.8376      2.16091  81.3036      2.19473  8.8692   0.121821  9.00684  0.121837  
1 1 1 34 28 11 o 4.33855  0.0909492 18.8477      0.789175 17.7959      1.10359  19.9485      1.12896  4.21272  0.130983  4.46065  0.126547  
1 1 1 34 28 12 o 2.10324  0.149097  4.44059      0.62717  4.33993      0.886247 4.54157      0.887661 2.07504  0.21355   2.12304  0.209054  
1 1 1 34 28 13 o 0.880307 0.263473  0.793481     0.499725 1.18395      0.671726 0.309533     0.747818 1.06487  0.301663  0.783429 0.314046  
1 1 1 34 28 14 o 3.50926  0.0923649 12.336       0.648265 12.3965      0.890958 12.268       0.944997 3.51522  0.126729  3.49619  0.135147  
1 1 1 34 28 15 o 3.67972  0.0927054 13.565       0.682259 13.4454      0.932577 13.7028      1.00075  3.66054  0.127382  3.69459  0.135434  
1 1 1 34 28 16 o 4.96359  0.0759957 24.6706      0.754423 24.2325      1.06513  25.1116      1.06871  4.91592  0.108335  5.00448  0.106775  
1 1 1 34 28 17 o 0.930736 0.272211  0.899761     0.538522 1.25062      0.770655 0.564942     0.752828 1.09548  0.327052  0.856651 0.322789  
1 1 1 34 28 18 o 3.83822  0.0871069 14.7643      0.668671 14.4767      0.90673  15.1072      0.990042 3.79706  0.119399  3.87773  0.127657  
1 1 1 34 28 19 o 2.45613  0.124914  6.06213      0.613609 5.83016      0.847868 6.31725      0.889152 2.40275  0.176437  2.50093  0.177765  
1 1 1 34 28 20 o 5.136    0.0837113 26.4436      0.859882 27.0388      1.22435  25.8642      1.20793  5.18709  0.118019  5.07295  0.119056  
1 1 1 34 28 21 o 4.2791   0.100879  18.3772      0.86334  17.57        1.23636  19.1454      1.2061   4.17517  0.148061  4.36052  0.138298  
1 1 1 34 28 22 o 0.864414 0.308253  0.677597     0.67433  0.574761     0.943798 0.78484      0.963809 0.912068 0.356836  0.973923 0.365573  
1 1 1 34 28 23 o 1.54206  0.221925  2.43016      0.684444 2.37665      0.915488 2.49797      1.03061  1.48209  0.318022  1.51238  0.347773  
1 1 1 34 28 24 o 1.801    0.197191  3.30774      0.710284 4.49519      1.02176  2.19729      0.988074 2.08863  0.2446    1.41189  0.350982  
1 1 1 34 28 25 o 3.73265  0.113823  14.0367      0.849726 15.1583      1.1936   12.8842      1.20995  3.86683  0.154339  3.55986  0.169944  
1 1 1 34 28 26 o 0.713588 0.304233  0.0666419    0.765529 0.616082     1.10234  -0.445171    1.06393  0.952799 0.381559  0.738799 0.334778  
1 1 1 34 28 27 o 2.64557  0.16098   7.12869      0.851766 8.40461      1.16116  5.64232      1.25327  2.8573   0.203191  2.31565  0.270608  
1 1 1 34 28 28 o 1.85431  0.216535  3.56138      0.803042 2.90054      1.12254  4.25407      1.14928  1.59909  0.35972   2.00049  0.287249  
1 1 1 34 28 29 o 3.02191  0.14872   9.30878      0.898838 9.29848      1.25786  9.31953      1.28486  2.99214  0.210195  2.99316  0.214634  
1 1 1 34 28 30 o 1.51885  0.301311  2.58896      0.882757 1.35653      1.2262   3.91488      1.27186  1.12034  0.41396   1.83942  0.358516  
1 1 1 34 28 31 o 2.49351  0.178613  6.46045      0.890745 8.14143      1.26968  4.83128      1.24996  2.76583  0.229529  2.08682  0.299489  
1 1 1 34 28 32 f 0.634172 0.288031  -0.268783    0.794179 -0.92507     1.11755  0.400795     1.12881  0.664695 0.314438  0.864895 0.369108  
1 1 1 34 28 33 o 1.22638  0.359621  1.90897      0.938707 1.4027       1.34279  2.39286      1.31278  1.07248  0.423902  1.31307  0.431954  
1 1 1 34 28 34 o 1.05174  0.347919  1.40316      0.851673 0.0924218    1.213    2.67758      1.19607  0.800726 0.36043   1.39299  0.405126  
1 1 1 34 28 35 o 0.6772   0.309829  -0.110104    0.950005 0.890378     1.38697  -0.994325    1.3039   0.912112 0.399367  0.669323 0.323218  
1 1 1 34 28 36 o 0.713274 0.316645  0.253089     0.906145 0.522345     1.27557  -0.0212182   1.28748  0.820223 0.369385  0.750986 0.350242  
1 1 1 34 28 37 o 0.664982 0.303582  0.18425      0.906569 0.501301     1.28651  -0.128472    1.2777   0.760862 0.353012  0.690285 0.330035  
1 1 1 34 28 38 o 0.79027  0.34829   1.04845      1.06977  -0.728081    1.52136  2.78596      1.50456  0.643984 0.318584  1.01521  0.429408  
1 1 1 34 29 0  o 7.44036  0.101263  55.4226      1.50623  55.4226      1.50623  55.4226      1.50623  7.44249  0.071568  ?        ?         
1 1 1 34 29 1  o 6.82866  0.0675275 46.6554      0.922245 46.3091      1.28142  47.0275      1.32835  6.80155  0.0942005 6.8539   0.0969047 
1 1 1 34 29 2  o 2.45163  0.0973851 6.01722      0.477505 6.29278      0.657606 5.70988      0.69449  2.50599  0.131207  2.38655  0.145501  
1 1 1 34 29 3  o 3.67209  0.0770306 13.4939      0.565727 13.9582      0.786067 12.9949      0.814824 3.73358  0.10527   3.60207  0.113105  
1 1 1 34 29 4  o 3.71854  0.0799282 13.8385      0.594432 13.1595      0.857455 14.4667      0.824804 3.62446  0.118287  3.80073  0.108506  
1 1 1 34 29 5  o 2.25244  0.145102  5.08722      0.653666 4.12469      0.946281 5.96569      0.904014 2.02383  0.233785  2.43709  0.18547   
1 1 1 34 29 6  o 5.21231  0.0821925 27.1929      0.856826 28.9435      1.21977  25.4877      1.20386  5.37526  0.113461  5.0437   0.119343  
1 1 1 34 29 7  o 1.6922   0.180914  2.87664      0.612284 3.40504      0.870724 2.35978      0.861157 1.83807  0.236859  1.5016   0.297322  
1 1 1 34 29 8  o 3.64367  0.0955903 13.294       0.696599 12.2922      0.974477 14.3408      0.99616  3.50106  0.139169  3.78213  0.131693  
1 1 1 34 29 9  o 2.62822  0.122821  6.9234       0.645602 6.82878      0.916144 7.01675      0.909925 2.607    0.175708  2.64289  0.172146  
1 1 1 34 29 10 o 6.15346  0.0805449 37.9051      0.991259 37.8218      1.40613  37.9873      1.39761  6.14334  0.114444  6.15687  0.1135    
1 1 1 34 29 11 o 5.92276  0.082903  35.1214      0.982029 35.2205      1.44717  35.0369      1.33696  5.92688  0.122086  5.91252  0.113062  
1 1 1 34 29 12 o 6.71346  0.0877608 45.136       1.17836  45.7413      1.65953  44.5205      1.67345  6.75362  0.122862  6.66246  0.125588  
1 1 1 34 29 13 o 2.9373   0.114833  8.6506       0.674599 9.41394      0.962638 7.91398      0.945643 3.06064  0.157261  2.8052   0.168552  
1 1 1 34 29 14 o 7.22552  0.0852728 52.2886      1.23228  51.8426      1.84268  52.6494      1.65742  7.18778  0.128182  7.24603  0.114367  
1 1 1 34 29 15 o 4.49096  0.0811538 20.1995      0.728918 20.5085      0.998843 19.8475      1.06613  4.52226  0.110436  4.44768  0.119853  
1 1 1 34 29 16 o 1.4792   0.168559  2.20411      0.498665 2.15526      0.715221 2.25033      0.695625 1.43452  0.258747  1.4897   0.233478  
1 1 1 34 29 17 o 4.7411   0.0800278 22.5191      0.758841 21.1409      1.0476   24.0405      1.10069  4.58948  0.114131  4.89437  0.112445  
1 1 1 34 29 18 o 3.26861  0.098566  10.7157      0.644347 11.082       0.879376 10.2911      0.94685  3.31999  0.132437  3.19717  0.148076  
1 1 1 34 29 19 f 3.17447  0.102085  10.113       0.648132 9.9501       0.894031 10.2934      0.940964 3.14348  0.142204  3.19646  0.147189  
1 1 1 34 29 20 o 2.38148  0.132241  5.70706      0.629861 4.9876       0.896796 6.40747      0.884839 2.21694  0.20226   2.51727  0.175754  
1 1 1 34 29 21 o 3.26     0.109879  10.677       0.716411 10.6312      1.02511  10.7207      1.00161  3.24498  0.157954  3.25945  0.153648  
1 1 1 34 29 22 o 3.48052  0.109444  12.1726      0.761846 12.4121      1.11225  11.961       1.04566  3.50508  0.158662  3.44227  0.151885  
1 1 1 34 29 23 o 1.56383  0.220974  2.50534      0.691132 2.44369      0.999602 2.56181      0.956631 1.49317  0.341921  1.53541  0.321843  
1 1 1 34 29 24 o 2.50866  0.153292  6.375        0.769117 5.75469      1.12772  6.91445      1.05165  2.36189  0.238732  2.60024  0.202223  
1 1 1 34 29 25 o 0.807594 0.313042  0.482638     0.722874 1.51249      1.02983  -0.517624    1.01493  1.1826   0.38244   0.709875 0.323265  
1 1 1 34 29 26 o 2.51495  0.164342  6.43824      0.826622 7.91188      1.13595  4.77953      1.20516  2.7744   0.204719  2.13026  0.282868  
1 1 1 34 29 27 o 2.17533  0.191119  4.86177      0.831492 4.9723       1.11873  4.72536      1.24285  2.17666  0.256984  2.10618  0.29505   
1 1 1 34 29 28 o 1.83611  0.234317  3.51891      0.860462 3.48519      1.24659  3.5496       1.18919  1.74858  0.368043  1.77731  0.346925  
1 1 1 34 29 29 o 3.10867  0.143393  9.84301      0.891524 10.6381      1.27739  9.08788      1.24485  3.20461  0.199306  2.95598  0.210565  
1 1 1 34 29 30 o 1.71268  0.254045  3.1481       0.870196 2.73535      1.22284  3.57155      1.23859  1.49417  0.400819  1.73705  0.367786  
1 1 1 34 29 31 o 0.623371 0.286362  -0.420057    0.820759 0.124833     1.16849  -0.950705    1.15312  0.833542 0.365753  0.678561 0.320326  
1 1 1 34 29 32 o 0.882049 0.334788  0.79495      0.814692 0.698618     1.16985  0.885663     1.13522  0.923597 0.383951  0.956799 0.385523  
1 1 1 34 29 33 o 1.17789  0.348827  1.76283      0.879088 3.25572      1.27776  0.421108     1.21134  1.55323  0.406584  0.859422 0.374784  
1 1 1 34 29 34 o 1.30847  0.335757  2.21295      0.882959 3.49936      1.30745  1.13433      1.19721  1.56706  0.411779  0.965576 0.393226  
1 1 1 34 29 35 o 0.975606 0.367591  1.33693      0.97629  1.33427      1.32898  1.34005      1.43893  0.972074 0.406989  0.974899 0.416418  
1 1 1 34 29 36 o 0.544647 0.263709  -0.79387     0.890062 -2.54264     1.23664  1.08571      1.28206  0.519119 0.261471  0.870127 0.382452  
1 1 1 34 29 37 o 0.584124 0.2802    -0.490122    0.940337 0.35606      1.3381   -1.31571     1.32172  0.750761 0.35202   0.602506 0.297794  
1 1 1 34 30 0  o 6.7587   0.099859  45.7397      1.34917  45.7397      1.34917  45.7397      1.34917  6.76091  0.0705705 ?        ?         
1 1 1 34 30 1  o 6.2397   0.0697508 38.9587      0.870448 39.7281      1.25689  38.2495      1.20665  6.29891  0.0997702 6.18076  0.0976132 
1 1 1 34 30 2  o 4.67041  0.0678458 21.826       0.633735 22.0339      0.908468 21.629       0.884487 4.69111  0.0968286 4.6479   0.095149  
1 1 1 34 30 3  o 12.8669  0.100184  165.781      2.57811  166.885      3.65882  164.693      3.63331  12.9008  0.141806  12.8159  0.141751  
1 1 1 34 30 4  o 3.38986  0.0881555 11.5035      0.597669 10.9618      0.901337 11.9285      0.79845  3.30662  0.136293  3.45057  0.115698  
1 1 1 34 30 5  o 2.09505  0.156913  4.40452      0.657482 3.60672      0.970202 5.08207      0.894094 1.89032  0.256624  2.24804  0.198861  
1 1 1 34 30 6  o 2.36718  0.139119  5.61932      0.65864  4.22726      0.905696 7.18186      0.959552 2.04871  0.221041  2.6736   0.17945   
1 1 1 34 30 7  o 4.88733  0.0853326 23.9122      0.834096 23.4749      1.17432  24.3573      1.18493  4.83967  0.121322  4.92989  0.120178  
1 1 1 34 30 8  o 4.66334  0.0851937 21.7718      0.794574 22.3978      1.15685  21.2126      1.09324  4.72697  0.122367  4.60052  0.118817  
1 1 1 34 30 9  o 3.14606  0.107364  9.91693      0.675548 9.82213      0.974337 10.0047      0.937469 3.12758  0.155765  3.15711  0.14847   
1 1 1 34 30 10 o 2.79113  0.119724  7.8105       0.668332 8.17582      0.975453 7.48727      0.917533 2.85182  0.171023  2.72933  0.168087  
1 1 1 34 30 11 o 5.76958  0.0864076 33.3358      0.997071 33.5644      1.38642  33.0908      1.43498  5.78552  0.119818  5.74387  0.124914  
1 1 1 34 30 12 o 2.93888  0.116195  8.66066      0.682969 9.13365      0.973732 8.20266      0.958184 3.01427  0.16152   2.85593  0.167753  
1 1 1 34 30 13 o 5.28578  0.083589  27.981       0.883666 27.5785      1.22735  28.4142      1.2733   5.24394  0.117026  5.32246  0.119616  
1 1 1 34 30 14 o 5.09941  0.0868599 26.0494      0.885869 27.3668      1.23498  24.6531      1.27143  5.22291  0.118228  4.95578  0.128277  
1 1 1 34 30 15 o 1.10671  0.248319  1.29249      0.536055 0.991394     0.72914  1.64667      0.790802 0.994864 0.321807  1.24365  0.316943  
1 1 1 34 30 16 o 2.57129  0.10079   6.63051      0.518322 7.23749      0.751669 6.08024      0.715689 2.6829   0.140085  2.45854  0.145552  
1 1 1 34 30 17 o 3.23605  0.0965504 10.5016      0.624883 10.8424      0.883173 10.16        0.884265 3.28378  0.134475  3.17817  0.139116  
1 1 1 34 30 18 o 3.18353  0.102603  10.1702      0.653278 10.7051      0.898381 9.56995      0.951667 3.26151  0.137725  3.08124  0.154429  
1 1 1 34 30 19 o 1.16586  0.255306  1.44362      0.578984 1.4299       0.816245 1.45751      0.821394 1.15815  0.33398   1.16822  0.334428  
1 1 1 34 30 20 o 1.46003  0.212616  2.16743      0.620851 2.06835      0.886329 2.26288      0.869932 1.38467  0.325231  1.45259  0.308724  
1 1 1 34 30 21 o 1.70756  0.18267   2.95467      0.623839 2.86887      0.893195 3.03639      0.87168  1.66989  0.267441  1.72043  0.253332  
1 1 1 34 30 22 o 2.47956  0.140607  6.20646      0.697283 6.23971      1.01866  6.17715      0.956489 2.47304  0.205953  2.46334  0.194145  
1 1 1 34 30 23 o 3.6414   0.111762  13.346       0.813938 11.739       1.16233  14.8922      1.14015  3.40042  0.17091   3.83702  0.148573  
1 1 1 34 30 24 o 1.65429  0.220612  2.81416      0.729911 1.29489      1.00529  4.50805      1.0615   1.11541  0.377997  2.08418  0.254656  
1 1 1 34 30 25 o 2.29435  0.166451  5.35595      0.763792 5.07382      1.07132  5.64759      1.08923  2.2116   0.242205  2.3364   0.2331    
1 1 1 34 30 26 o 5.99217  0.0978207 36.1547      1.17232  37.3612      1.66453  34.9672      1.65136  6.07137  0.13708   5.87158  0.140623  
1 1 1 34 30 27 o 2.36438  0.176689  5.72349      0.835518 6.21995      1.19121  5.24273      1.17221  2.43902  0.244199  2.23164  0.262636  
1 1 1 34 30 28 o 4.65438  0.115614  21.9168      1.07622  20.4299      1.53675  23.348       1.50768  4.46254  0.172184  4.78034  0.157696  
1 1 1 34 30 29 o 0.989521 0.33974   1.05672      0.812415 0.866531     1.12189  1.26642      1.17802  0.987053 0.388313  1.09336  0.405393  
1 1 1 34 30 30 o 1.0505   0.349756  1.2649       0.86069  2.38099      1.23846  0.222289     1.197    1.3795   0.415158  0.861439 0.374085  
1 1 1 34 30 31 o 0.630105 0.28697   -0.312727    0.800292 -0.63337     1.12432  0.0165729    1.1394   0.703161 0.327689  0.801932 0.355653  
1 1 1 34 30 32 o 2.30726  0.193392  5.65711      0.892412 6.37938      1.29001  4.99422      1.23585  2.38263  0.270712  2.08555  0.296289  
1 1 1 34 30 33 o 0.524446 0.254409  -1.11062     0.836979 0.566345     1.20546  -2.67157     1.16301  0.878291 0.378313  0.522568 0.261284  
1 1 1 34 30 34 o 0.711706 0.314365  0.188547     0.878159 -0.878835    1.21038  1.37487      1.27603  0.65979  0.316836  0.998884 0.406241  
1 1 1 34 30 35 o 0.789458 0.341937  0.550735     0.995204 0.908666     1.29469  0.0338035    1.5559   0.887744 0.387296  0.805169 0.377901  
1 1 1 34 30 36 o 0.700472 0.318839  0.284878     0.98491  -0.263028    1.44839  0.756145     1.34328  0.71007  0.342342  0.806878 0.368851  
1 1 1 34 30 37 o 0.60128  0.288421  -0.389496    0.996146 -0.569488    1.41726  -0.213755    1.40042  0.661985 0.323394  0.688193 0.33279   
1 1 1 34 31 0  f 0.820263 0.375623  0.989204     0.667669 0.989204     0.667669 0.989204     0.667669 0.868719 0.301588  ?        ?         
1 1 1 34 31 1  o 5.65234  0.0666    31.9693      0.752892 31.974       1.05263  31.9644      1.0773   5.65102  0.0931364 5.65     0.095336  
1 1 1 34 31 2  o 7.581    0.0710267 57.5135      1.07691  56.0357      1.47944  59.1789      1.57059  7.48038  0.0988883 7.68695  0.10216   
1 1 1 34 31 3  o 6.48015  0.0723365 42.0245      0.937502 42.0409      1.26671  42.0046      1.39408  6.47933  0.0977499 6.47556  0.107642  
1 1 1 34 31 4  o 6.99074  0.0784955 48.9154      1.09748  48.8199      1.54379  49.013       1.5605   6.9807   0.110575  6.99438  0.111554  
1 1 1 34 31 5  o 0.649987 0.276641  0.00334573   0.631046 -0.0789945   0.918403 0.0769896    0.868551 0.764651 0.329797  0.776834 0.327304  
1 1 1 34 31 6  o 4.02945  0.0920583 16.2584      0.741889 15.5267      1.05457  16.9754      1.04389  3.93471  0.134009  4.1148   0.126846  
1 1 1 34 31 7  o 3.49051  0.100568  12.2042      0.702064 12.8554      1.01256  11.6014      0.974282 3.57942  0.141442  3.40021  0.143268  
1 1 1 34 31 8  o 1.50565  0.209401  2.28451      0.630569 2.923        0.916648 1.71095      0.868794 1.69875  0.2698    1.27247  0.336267  
1 1 1 34 31 9  o 4.08188  0.0897224 16.6866      0.732472 16.5606      1.02868  16.8162      1.04322  4.06342  0.126578  4.09459  0.12739   
1 1 1 34 31 10 o 3.30665  0.106037  10.9581      0.701253 10.752       0.99827  11.1589      0.9853   3.27155  0.152568  3.33335  0.147794  
1 1 1 34 31 11 o 6.92655  0.0834848 48.0457      1.15652  47.2267      1.57429  49.006       1.70462  6.86297  0.114694  6.98984  0.121935  
1 1 1 34 31 12 o 10.0022  0.0988438 100.255      1.97732  100.254      2.75864  100.257      2.83565  9.99234  0.138038  9.99132  0.141906  
1 1 1 34 31 13 o 4.2979   0.089525  18.5065      0.769539 17.7102      1.06291  19.3836      1.11558  4.20053  0.126521  4.39444  0.126931  
1 1 1 34 31 14 o 1.64173  0.191095  2.72052      0.627452 2.08251      0.867125 3.42174      0.909063 1.39848  0.317245  1.83548  0.247636  
1 1 1 34 31 15 o 2.35398  0.11643   5.56233      0.548147 5.53102      0.732554 5.60215      0.826274 2.34385  0.156272  2.35681  0.175295  
1 1 1 34 31 16 o 2.87727  0.104052  8.30565      0.598772 8.42641      0.770524 8.12155      0.951368 2.89514  0.133072  2.83789  0.167619  
1 1 1 34 31 17 o 7.35004  0.0876334 54.1579      1.28822  53.8533      1.80439  54.4746      1.83975  7.32017  0.123248  7.36176  0.124953  
1 1 1 34 31 18 o 3.25129  0.0968015 10.6067      0.62946  9.01931      0.86628  12.3823      0.916197 2.99185  0.144773  3.508    0.130587  
1 1 1 34 31 19 o 2.29409  0.133885  5.2969       0.614291 5.28139      0.884257 5.31137      0.854009 2.28258  0.193697  2.29018  0.18645   
1 1 1 34 31 20 o 0.573967 0.255941  -0.222299    0.598712 -0.954636    0.850723 0.496372     0.842748 0.581254 0.274673  0.859534 0.337006  
1 1 1 34 31 21 o 2.26527  0.149184  5.18173      0.675883 5.38273      0.967456 4.99009      0.944638 2.29768  0.210529  2.21167  0.213558  
1 1 1 34 31 22 o 1.06226  0.299971  1.21387      0.665237 1.37996      0.970653 1.06676      0.913519 1.14355  0.371427  1.0377   0.359874  
1 1 1 34 31 23 o 4.95134  0.0935255 24.6378      0.926153 23.0152      1.27652  26.4413      1.34578  4.77308  0.133721  5.11688  0.131504  
1 1 1 34 31 24 o 2.91779  0.133333  8.60546      0.778071 9.68725      1.05952  7.33918      1.14632  3.08474  0.171736  2.67175  0.214525  
1 1 1 34 31 25 o 2.12839  0.177192  4.62603      0.754267 4.20752      1.05469  5.06416      1.07912  2.00492  0.263026  2.20625  0.244559  
1 1 1 34 31 26 o 1.77633  0.223694  3.27419      0.794712 3.27624      1.08809  3.27185      1.16348  1.71897  0.328247  1.7052   0.353077  
1 1 1 34 31 27 o 0.916818 0.337363  0.79166      0.813264 0.0350364    1.19972  1.43495      1.10622  0.855147 0.372951  1.1488   0.396246  
1 1 1 34 31 28 o 0.691113 0.303902  -0.0819354   0.810225 0.307023     1.15483  -0.459007    1.13704  0.884259 0.375219  0.751523 0.342211  
1 1 1 34 31 29 o 2.32202  0.187346  5.60592      0.870044 6.11261      1.25871  5.14235      1.20397  2.37955  0.264485  2.17493  0.276784  
1 1 1 34 31 30 o 1.26762  0.322208  1.88126      0.818889 2.27285      1.17158  1.5072       1.14505  1.34945  0.403325  1.13106  0.401849  
1 1 1 34 31 31 o 0.624868 0.287619  -0.399711    0.832521 -0.574309    1.20979  -0.242657    1.14741  0.732348 0.34076   0.75789  0.34475   
1 1 1 34 31 32 o 2.51369  0.176388  6.67933      0.886768 6.20534      1.23553  7.1829       1.27349  2.34644  0.263276  2.53766  0.250919  
1 1 1 34 31 33 o 0.522167 0.252366  -0.960542    0.801121 -1.46151     1.14523  -0.480492    1.12107  0.59742  0.29162   0.690863 0.323625  
1 1 1 34 31 34 o 1.02711  0.369174  1.51227      0.968899 1.91376      1.29596  1.00345      1.45894  1.09477  0.420281  0.925713 0.407427  
1 1 1 34 31 35 o 0.679281 0.311852  0.0259621    0.9717   0.473247     1.38152  -0.411958    1.36698  0.808895 0.371561  0.710321 0.340035  
1 1 1 34 31 36 o 0.709368 0.322924  0.369964     1.0109   1.41855      1.48663  -0.531914    1.37872  0.881083 0.397675  0.668177 0.32488   
1 1 1 34 31 37 o 0.760718 0.338411  0.996441     1.04116  1.49814      1.41344  0.40129      1.53946  0.809296 0.373384  0.704555 0.342797  
1 1 1 34 32 0  o 2.59046  0.138438  6.77769      0.712554 6.77769      0.712554 6.77769      0.712554 2.59698  0.0973173 ?        ?         
1 1 1 34 32 1  o 4.82728  0.0666954 23.3188      0.643914 23.99        0.900961 22.618       0.920622 4.89469  0.0920346 4.75231  0.0968604 
1 1 1 34 32 2  o 6.98125  0.0674947 48.7729      0.942394 48.6239      1.31705  48.9292      1.34901  6.96812  0.0945057 6.98974  0.0964995 
1 1 1 34 32 3  o 3.15405  0.0777948 9.95773      0.490738 9.15606      0.676265 10.8494      0.713225 3.02283  0.11186   3.29071  0.108369  
1 1 1 34 32 4  o 8.94365  0.0840998 80.0822      1.50432  80.5156      2.18072  79.6887      2.07786  8.96201  0.121664  8.91678  0.116514  
1 1 1 34 32 5  o 2.13531  0.154997  4.57825      0.661934 3.74969      0.928022 5.43635      0.944425 1.92683  0.240816  2.32336  0.203245  
1 1 1 34 32 6  o 2.95925  0.111598  8.77649      0.660492 8.6817       0.936602 8.87026      0.931572 2.93983  0.159295  2.9718   0.156735  
1 1 1 34 32 7  o 5.58675  0.0810837 31.2496      0.905988 31.3272      1.26747  31.1685      1.29552  5.59043  0.11336   5.57592  0.116171  
1 1 1 34 32 8  o 0.568658 0.255164  -0.27679     0.603399 0.0443258    0.848825 -0.604821    0.857917 0.759502 0.321955  0.640996 0.293752  
1 1 1 34 32 9  o 6.12271  0.0820016 37.5383      1.00415  38.1373      1.4187   36.9371      1.42146  6.16737  0.115017  6.06926  0.117103  
1 1 1 34 32 10 o 1.15593  0.271146  1.41014      0.616694 0.250318     0.884246 2.50853      0.860512 0.821111 0.336754  1.54654  0.288932  
1 1 1 34 32 11 f 3.83081  0.0947107 14.7041      0.725638 15.6362      1.04247  13.828       1.01068  3.94673  0.132067  3.71108  0.136171  
1 1 1 34 32 12 o 3.20937  0.107615  10.3283      0.690754 9.88566      0.983673 10.7589      0.970212 3.13503  0.156884  3.27157  0.148279  
1 1 1 34 32 13 o 3.61166  0.100395  13.0781      0.725182 13.5514      1.0141   12.5829      1.03742  3.67221  0.138078  3.53744  0.146634  
1 1 1 34 32 14 o 2.6518   0.123518  7.06227      0.655088 7.61626      0.911687 6.47093      0.941922 2.74922  0.165808  2.53159  0.186033  
1 1 1 34 32 15 o 1.5835   0.205293  2.5392       0.650164 2.90886      0.91034  2.15433      0.928882 1.68727  0.269768  1.41718  0.332998  
1 1 1 34 32 16 o 2.49129  0.119612  6.23512      0.595975 5.83597      0.797001 6.74141      0.897612 2.40501  0.165696  2.58371  0.173706  
1 1 1 34 32 17 o 4.91341  0.0832678 24.2015      0.818259 24.8423      1.18612  23.6197      1.13028  4.9715   0.119292  4.84817  0.116568  
1 1 1 34 32 18 o 4.97341  0.0832556 24.7961      0.828129 24.3701      1.1868   25.2003      1.1561   4.92371  0.120519  5.00796  0.115426  
1 1 1 34 32 19 o 5.01944  0.0863335 25.2687      0.866692 23.9808      1.23572  26.5156      1.2159   4.88167  0.126567  5.13519  0.118389  
1 1 1 34 32 20 o 1.77741  0.176716  3.19987      0.628195 2.32266      0.924976 3.95087      0.855849 1.46542  0.324228  1.96839  0.217399  
1 1 1 34 32 21 o 1.18352  0.269295  1.50574      0.623273 0.877268     0.855511 2.21664      0.909882 0.968694 0.347027  1.42542  0.326086  
1 1 1 34 32 22 o 0.878442 0.302002  0.754371     0.642135 1.0643       0.920948 0.461129     0.895805 1.03544  0.361119  0.860515 0.344229  
1 1 1 34 32 23 o 2.2228   0.165114  5.02038      0.734031 5.52134      1.03729  4.5179       1.03886  2.31568  0.223971  2.08769  0.248806  
1 1 1 34 32 24 o 3.05841  0.129832  9.45555      0.794162 9.54632      1.1041   9.35824      1.14314  3.05752  0.180555  3.02426  0.188996  
1 1 1 34 32 25 o 2.33254  0.16861   5.55569      0.786581 5.24936      1.06884  5.91759      1.16175  2.24456  0.238094  2.38075  0.243989  
1 1 1 34 32 26 o 0.655906 0.29423   -0.26601     0.80181  -0.957006    1.12671  0.442976     1.14129  0.687293 0.322398  0.916869 0.380074  
1 1 1 34 32 27 o 2.48111  0.168989  6.31013      0.838561 6.10281      1.24079  6.48444      1.13771  2.40118  0.258371  2.49018  0.22844   
1 1 1 34 32 28 o 1.79557  0.22884   3.39818      0.821798 3.60728      1.14427  3.17544      1.181    1.77971  0.333794  1.64589  0.368077  
1 1 1 34 32 29 o 0.959867 0.335512  1.00472      0.795345 0.307872     1.13235  1.68326      1.11738  0.859533 0.368343  1.18427  0.398512  
1 1 1 34 32 30 o 2.33536  0.18667   5.71213      0.871886 6.3982       1.30718  5.16228      1.17022  2.41154  0.271026  2.16686  0.270027  
1 1 1 34 32 31 o 1.2275   0.330482  1.84191      0.829447 2.62063      1.17286  1.06278      1.17317  1.41244  0.398124  0.991271 0.394827  
1 1 1 34 32 32 o 0.590728 0.275197  -0.448061    0.792085 -0.944108    1.10942  0.0677013    1.13125  0.642717 0.30735   0.780124 0.349731  
1 1 1 34 32 33 o 0.874317 0.34025   0.903906     0.855751 0.627171     1.1683   1.22425      1.25699  0.853389 0.370066  0.974285 0.400864  
1 1 1 34 32 34 o 1.06234  0.371037  1.6577       0.972528 0.844711     1.38417  2.45033      1.36672  0.889028 0.393427  1.19944  0.437732  
1 1 1 34 32 35 o 1.05127  0.371927  1.84501      0.979945 1.43978      1.38254  2.25415      1.38918  0.913529 0.399368  1.05716  0.426261  
1 1 1 34 32 36 o 0.665505 0.312171  0.00389966   1.05616  -0.0450724   1.47475  0.0554629    1.51327  0.722209 0.347519  0.735407 0.353419  
1 1 1 34 33 0  o 6.77575  0.0964566 45.9759      1.30653  45.9759      1.30653  45.9759      1.30653  6.77814  0.0681654 ?        ?         
1 1 1 34 33 1  o 2.33164  0.0998495 5.44603      0.465627 4.85769      0.645672 6.08355      0.672114 2.19985  0.146753  2.46245  0.136472  
1 1 1 34 33 2  o 1.37411  0.154895  1.89617      0.425686 1.85591      0.603482 1.93603      0.600552 1.35638  0.222461  1.38565  0.216703  
1 1 1 34 33 3  o 4.50231  0.0732385 20.2903      0.659485 18.833       0.95668  21.6099      0.91035  4.33495  0.110345  4.64463  0.0980001 
1 1 1 34 33 4  o 5.40351  0.0800937 29.2322      0.865574 29.2154      1.21999  29.2492      1.22826  5.3988   0.112987  5.40185  0.113689  
1 1 1 34 33 5  o 1.79458  0.178465  3.23983      0.640542 2.53893      0.905651 3.94138      0.906075 1.55486  0.30201   1.97554  0.229324  
1 1 1 34 33 6  o 0.685155 0.280207  0.17324      0.610499 0.215857     0.867659 0.131455     0.859155 0.807087 0.332724  0.783676 0.327615  
1 1 1 34 33 7  o 2.03131  0.153838  4.14582      0.624988 3.72322      0.888376 4.55994      0.879424 1.91932  0.23143   2.12634  0.206793  
1 1 1 34 33 8  o 3.30126  0.102173  10.9218      0.674603 10.3561      0.950586 11.4958      0.957516 3.21088  0.148026  3.38361  0.141493  
1 1 1 34 33 9  o 3.39553  0.102208  11.5554      0.694097 11.2526      1.00278  11.8338      0.961707 3.34653  0.149824  3.43289  0.140072  
1 1 1 34 33 10 o 1.77532  0.17346   3.17327      0.615894 3.34643      0.868672 2.99823      0.873359 1.81763  0.238957  1.71905  0.254024  
1 1 1 34 33 11 o 3.15075  0.1099    9.95639      0.692537 9.01884      0.964817 10.9528      0.994654 2.99372  0.16114   3.30042  0.150686  
1 1 1 34 33 12 o 3.3162   0.103258  11.0282      0.684848 12.8437      0.989351 9.35802      0.948955 3.57482  0.138378  3.0494   0.155597  
1 1 1 34 33 13 o 2.31053  0.139018  5.36785      0.64241  4.49304      0.882555 6.3537       0.936889 2.1067   0.209463  2.50837  0.186753  
1 1 1 34 33 14 o 2.14347  0.151263  4.62612      0.648455 3.80491      0.902808 5.50129      0.931997 1.93486  0.2333    2.33153  0.199868  
1 1 1 34 33 15 o 3.23378  0.11531   10.5021      0.745776 10.6487      1.04462  10.3497      1.06505  3.24956  0.160733  3.20267  0.166275  
1 1 1 34 33 16 o 3.23227  0.108576  10.4913      0.701892 10.1237      1.00773  10.8375      0.978175 3.1675   0.159074  3.27904  0.149156  
1 1 1 34 33 17 o 3.59736  0.0994236 12.9868      0.715326 15.5514      1.04724  10.7437      0.979406 3.93095  0.133205  3.26451  0.150008  
1 1 1 34 33 18 o 2.22584  0.139275  4.99147      0.620011 3.76461      0.911862 6.04636      0.845545 1.91944  0.237534  2.44484  0.172924  
1 1 1 34 33 19 o 2.94461  0.105942  8.70987      0.623912 8.99072      0.883656 8.43068      0.881039 2.98518  0.148007  2.88994  0.152432  
1 1 1 34 33 20 o 2.60483  0.124313  6.83718      0.647629 6.12235      0.896664 7.61677      0.936399 2.45427  0.182674  2.74024  0.170861  
1 1 1 34 33 21 o 0.858821 0.296678  0.712832     0.620332 0.868121     0.890418 0.566381     0.86471  0.972232 0.353464  0.879148 0.342048  
1 1 1 34 33 22 o 0.611847 0.271635  -0.194215    0.666982 -0.266884    0.930436 -0.117399    0.956619 0.716928 0.319392  0.754952 0.331105  
1 1 1 34 33 23 o 3.38257  0.12081   11.5456      0.817297 11.3345      1.15368  11.7582      1.158    3.33547  0.172941  3.39816  0.170386  
1 1 1 34 33 24 o 4.07189  0.107437  16.7142      0.874941 15.7039      1.24443  17.7017      1.2304   3.92854  0.158383  4.1758   0.147325  
1 1 1 34 33 25 o 2.03964  0.203746  4.29083      0.831137 4.71904      1.15659  3.83358      1.19517  2.11322  0.273657  1.8589   0.333576  
1 1 1 34 33 26 o 0.603816 0.278553  -0.518044    0.786381 -1.10597     1.17931  -0.0473361   1.05523  0.687551 0.324387  0.792568 0.347676  
1 1 1 34 33 27 o 1.07951  0.336969  1.30516      0.805962 2.40332      1.1276   0.158154     1.15241  1.42839  0.385671  0.854884 0.369082  
1 1 1 34 33 28 o 0.892934 0.334981  0.770249     0.809023 0.539688     1.13492  1.00845      1.15357  0.909927 0.378216  1.01602  0.395118  
1 1 1 34 33 29 o 2.80012  0.153999  8.0762       0.86243  7.76746      1.20678  8.39849      1.23296  2.70272  0.223253  2.81343  0.219121  
1 1 1 34 33 30 o 2.46856  0.175689  6.3773       0.867397 7.79247      1.26993  5.13974      1.18758  2.68088  0.23685   2.14717  0.276544  
1 1 1 34 33 31 o 0.596195 0.276855  -0.43052     0.793514 -0.493571    1.105    -0.363383    1.14023  0.696709 0.324752  0.724454 0.334667  
1 1 1 34 33 32 o 1.3677   0.295319  2.2656       0.784859 1.25898      1.09714  3.32065      1.12323  0.998919 0.385977  1.59966  0.359817  
1 1 1 34 33 33 o 0.767635 0.328667  0.480647     0.90013  0.918264     1.28964  0.0649375    1.25694  0.902174 0.38998   0.770454 0.354117  
1 1 1 34 33 34 o 1.57516  0.34151   3.41825      1.04559  3.50551      1.48187  3.33173      1.47553  1.38971  0.458931  1.34883  0.457947  
1 1 1 34 33 35 o 0.579185 0.279152  -0.566236    0.96121  0.0695502    1.36284  -1.19556     1.3559   0.720372 0.343566  0.615438 0.303566  
1 1 1 34 33 36 o 0.677896 0.31732   0.280974     1.07062  0.822312     1.51874  -0.253785    1.50949  0.766692 0.364513  0.677216 0.331512  
1 1 1 34 34 0  f 2.13165  0.227348  4.71847      0.944043 4.71847      0.944043 4.71847      0.944043 2.15274  0.156962  ?        ?         
1 1 1 34 34 1  o 4.58958  0.0958968 21.1104      0.879384 21.1104      0.879384 21.1104      0.879384 4.59209  0.0677385 ?        ?         
1 1 1 34 34 2  f 3.30742  0.113989  10.9917      0.751986 10.9917      0.751986 10.9917      0.751986 3.31141  0.0803953 ?        ?         
1 1 1 34 34 3  o 0.662409 0.350664  0.647054     0.616094 0.647054     0.616094 0.647054     0.616094 0.66388  0.303447  ?        ?         
1 1 1 34 34 4  o 0.656305 0.385498  0.532131     0.838658 0.532131     0.838658 0.532131     0.838658 0.6119   0.337895  ?        ?         
1 1 1 34 34 5  o 9.36301  0.136637  87.8881      2.55744  87.8881      2.55744  87.8881      2.55744  9.36896  0.0965325 ?        ?         
1 1 1 34 34 6  o 1.82538  0.263691  3.55595      0.90387  3.55595      0.90387  3.55595      0.90387  1.85845  0.175553  ?        ?         
1 1 1 34 34 7  o 3.08129  0.1525    9.58724      0.934542 9.58724      0.934542 9.58724      0.934542 3.08889  0.107261  ?        ?         
1 1 1 34 34 8  o 3.51233  0.139245  12.4211      0.974653 12.4211      0.974653 12.4211      0.974653 3.51838  0.098113  ?        ?         
1 1 1 34 34 9  o 0.584601 0.368014  0.216034     0.883742 0.216034     0.883742 0.216034     0.883742 0.510099 0.316133  ?        ?         
1 1 1 34 34 10 o 1.6381   0.293218  2.95159      0.868564 2.95159      0.868564 2.95159      0.868564 1.68388  0.187682  ?        ?         
1 1 1 34 34 11 o 4.49286  0.129796  20.2825      1.16411  20.2825      1.16411  20.2825      1.16411  4.49827  0.091582  ?        ?         
1 1 1 34 34 12 o 2.42782  0.188447  6.02946      0.902352 6.02946      0.902352 6.02946      0.902352 2.44197  0.131516  ?        ?         
1 1 1 34 34 13 o 1.48585  0.341588  2.55711      0.88254  2.55711      0.88254  2.55711      0.88254  1.55352  0.209304  ?        ?         
1 1 1 34 34 14 o 4.34551  0.133382  18.9909      1.15675  18.9909      1.15675  18.9909      1.15675  4.35165  0.0940806 ?        ?         
1 1 1 34 34 15 o 2.19276  0.218263  4.98843      0.93544  4.98843      0.93544  4.98843      0.93544  2.21378  0.151008  ?        ?         
1 1 1 34 34 16 o 3.24483  0.179361  10.685       1.15586  10.685       1.15586  10.685       1.15586  3.25688  0.125902  ?        ?         
1 1 1 34 34 17 o 0.69241  0.385651  0.690182     0.781667 0.690182     0.781667 0.690182     0.781667 0.675971 0.338024  ?        ?         
1 1 1 34 34 18 o 3.62304  0.13174   13.2238      0.951736 13.2238      0.951736 13.2238      0.951736 3.62975  0.0928404 ?        ?         
1 1 1 34 34 19 o 4.27757  0.123782  18.4095      1.05697  18.4095      1.05697  18.4095      1.05697  4.28413  0.0873092 ?        ?         
1 1 1 34 34 20 o 0.771313 0.413623  0.905202     0.865816 0.905202     0.865816 0.905202     0.865816 0.776047 0.359453  ?        ?         
1 1 1 34 34 21 o 0.596772 0.375495  0.264258     0.918675 0.264258     0.918675 0.264258     0.918675 0.526181 0.324176  ?        ?         
1 1 1 34 34 22 o 3.97006  0.145694  15.9259      1.15329  15.9259      1.15329  15.9259      1.15329  3.9804   0.102594  ?        ?         
1 1 1 34 34 23 o 5.58224  0.13734   31.4134      1.53123  31.4134      1.53123  31.4134      1.53123  5.59351  0.096851  ?        ?         
1 1 1 34 34 24 o 2.35733  0.230168  5.81981      1.06142  5.81981      1.06142  5.81981      1.06142  2.38575  0.158914  ?        ?         
1 1 1 34 34 25 o 1.14963  0.497282  2.0206       1.1701   2.0206       1.1701   2.0206       1.1701   1.25724  0.378185  ?        ?         
1 1 1 34 34 26 o 1.85154  0.331537  3.87628      1.10995  3.87628      1.10995  3.87628      1.10995  1.91762  0.210424  ?        ?         
1 1 1 34 34 27 o 0.697119 0.430737  0.572102     1.15335  0.572102     1.15335  0.572102     1.15335  0.642553 0.378931  ?        ?         
1 1 1 34 34 28 f 0.558402 0.373821  -0.135753    1.11768  -0.135753    1.11768  -0.135753    1.11768  0.469594 0.314362  ?        ?         
1 1 1 34 34 29 o 0.779282 0.451716  0.981579     1.12742  0.981579     1.12742  0.981579     1.12742  0.771483 0.401533  ?        ?         
1 1 1 34 34 30 o 0.565177 0.380654  -0.138206    1.19222  -0.138206    1.19222  -0.138206    1.19222  0.478393 0.321555  ?        ?         
1 1 1 34 34 31 o 1.34449  0.482832  2.72702      1.18449  2.72702      1.18449  2.72702      1.18449  1.51174  0.314209  ?        ?         
1 1 1 34 34 32 o 1.88964  0.411747  4.59054      1.36198  4.59054      1.36198  4.59054      1.36198  2.03427  0.244725  ?        ?         
1 1 1 34 34 33 o 1.28709  0.549801  3.06964      1.43397  3.06964      1.43397  3.06964      1.43397  1.52097  0.386077  ?        ?         
1 1 1 34 34 34 f 0.655105 0.432841  0.698769     1.4087   0.698769     1.4087   0.698769     1.4087   0.627658 0.393377  ?        ?         
1 1 1 34 34 35 o 1.6237   0.500894  4.27692      1.41965  4.27692      1.41965  4.27692      1.41965  1.88342  0.286386  ?        ?         
1 1 1 35 0  0  o 48.4921  0.643419  2359.91      62.3767  2359.91      62.3767  2359.91      62.3767  48.5348  0.454476  ?        ?         
1 1 1 35 0  1  o 10.617   0.112327  112.769      2.38455  112.769      2.38455  112.769      2.38455  10.6181  0.0794085 ?        ?         
1 1 1 35 0  2  o 10.3124  0.114708  106.395      2.36516  106.395      2.36516  106.395      2.36516  10.3136  0.08109   ?        ?         
1 1 1 35 0  3  o 2.27297  0.130552  5.21801      0.589005 5.21801      0.589005 5.21801      0.589005 2.2787   0.0917251 ?        ?         
1 1 1 35 0  4  o 10.2651  0.115304  105.423      2.36655  105.423      2.36655  105.423      2.36655  10.2663  0.0815111 ?        ?         
1 1 1 35 0  5  o 15.0144  0.151985  225.541      4.56287  225.541      4.56287  225.541      4.56287  15.0162  0.107444  ?        ?         
1 1 1 35 0  6  o 21.1499  0.220321  447.627      9.31727  447.627      9.31727  447.627      9.31727  21.1535  0.155745  ?        ?         
1 1 1 35 0  7  o 9.24406  0.107164  85.4948      1.98067  85.4948      1.98067  85.4948      1.98067  9.24519  0.0757558 ?        ?         
1 1 1 35 0  8  o 7.79681  0.0951708 60.822       1.48356  60.822       1.48356  60.822       1.48356  7.79783  0.0672759 ?        ?         
1 1 1 35 0  9  o 24.6278  0.244071  607.037      12.0192  607.037      12.0192  607.037      12.0192  24.6329  0.172529  ?        ?         
1 1 1 35 0  10 o 14.6297  0.14423   214.135      4.21916  214.135      4.21916  214.135      4.21916  14.6315  0.101962  ?        ?         
1 1 1 35 0  11 o 6.03615  0.0936464 36.4647      1.12991  36.4647      1.12991  36.4647      1.12991  6.03738  0.0661865 ?        ?         
1 1 1 35 0  12 o 2.39577  0.160924  5.81859      0.76309  5.81859      0.76309  5.81859      0.76309  2.40411  0.112787  ?        ?         
1 1 1 35 0  13 o 4.03246  0.130872  16.3152      1.05295  16.3152      1.05295  16.3152      1.05295  4.03585  0.0923515 ?        ?         
1 1 1 35 0  14 o 5.12252  0.125387  26.2925      1.28286  26.2925      1.28286  26.2925      1.28286  5.12507  0.0885576 ?        ?         
1 1 1 35 0  15 o 4.34085  0.115048  18.8861      0.997226 18.8861      0.997226 18.8861      0.997226 4.34334  0.0812396 ?        ?         
1 1 1 35 0  16 o 8.15575  0.122781  66.5772      2.00172  66.5772      2.00172  66.5772      2.00172  8.15762  0.086777  ?        ?         
1 1 1 35 0  17 o 11.1867  0.14469   125.255      3.23599  125.255      3.23599  125.255      3.23599  11.1892  0.102269  ?        ?         
1 1 1 35 0  18 o 0.554532 0.363881  -0.0811906   0.973647 -0.0811906   0.973647 -0.0811906   0.973647 0.461565 0.304073  ?        ?         
1 1 1 35 0  19 o 4.95129  0.13051   24.5776      1.29036  24.5776      1.29036  24.5776      1.29036  4.95445  0.0921529 ?        ?         
1 1 1 35 0  20 o 1.17303  0.447645  1.87652      0.98479  1.87652      0.98479  1.87652      0.98479  1.26408  0.31892   ?        ?         
1 1 1 35 0  21 o 4.30514  0.131248  18.5977      1.1277   18.5977      1.1277   18.5977      1.1277   4.30883  0.0926281 ?        ?         
1 1 1 35 0  22 o 2.86799  0.192362  8.35008      1.09199  8.35008      1.09199  8.35008      1.09199  2.879    0.134774  ?        ?         
1 1 1 35 0  23 o 7.85128  0.128784  61.7494      2.02102  61.7494      2.02102  61.7494      2.02102  7.85468  0.0909971 ?        ?         
1 1 1 35 0  24 o 1.41387  0.411358  2.46183      1.00859  2.46183      1.00859  2.46183      1.00859  1.50303  0.260785  ?        ?         
1 1 1 35 0  25 o 3.28943  0.174185  10.936       1.1386   10.936       1.1386   10.936       1.1386   3.29826  0.122434  ?        ?         
1 1 1 35 0  26 o 1.94527  0.301853  4.07551      1.0899   4.07551      1.0899   4.07551      1.0899   1.98616  0.198563  ?        ?         
1 1 1 35 0  27 o 2.45683  0.256887  6.2712       1.23067  6.2712       1.23067  6.2712       1.23067  2.48146  0.177427  ?        ?         
1 1 1 35 0  28 o 4.3628   0.155269  19.1624      1.35093  19.1624      1.35093  19.1624      1.35093  4.37018  0.109447  ?        ?         
1 1 1 35 0  29 o 13.0847  0.177205  172.087      4.63542  172.087      4.63542  172.087      4.63542  13.1015  0.125116  ?        ?         
1 1 1 35 0  30 o 3.09507  0.208098  9.77733      1.27479  9.77733      1.27479  9.77733      1.27479  3.11114  0.145595  ?        ?         
1 1 1 35 0  31 o 0.823497 0.479572  0.912413     1.28032  0.912413     1.28032  0.912413     1.28032  0.781436 0.421817  ?        ?         
1 1 1 35 0  32 o 2.50598  0.253656  6.54858      1.24145  6.54858      1.24145  6.54858      1.24145  2.5333   0.175183  ?        ?         
1 1 1 35 0  33 o 0.701362 0.432792  0.493717     1.16143  0.493717     1.16143  0.493717     1.16143  0.634114 0.377378  ?        ?         
1 1 1 35 0  34 o 1.11763  0.512037  1.93527      1.24075  1.93527      1.24075  1.93527      1.24075  1.20615  0.40756   ?        ?         
1 1 1 35 0  35 o 0.991267 0.51286   1.58519      1.2957   1.58519      1.2957   1.58519      1.2957   1.0324   0.439297  ?        ?         
1 1 1 35 0  36 o 0.936972 0.505674  1.41938      1.30084  1.41938      1.30084  1.41938      1.30084  0.957301 0.440749  ?        ?         
1 1 1 35 0  37 f 0.827248 0.484406  1.01928      1.31775  1.01928      1.31775  1.01928      1.31775  0.80037  0.429125  ?        ?         
1 1 1 35 0  38 f 0.894905 0.512915  1.33399      1.43201  1.33399      1.43201  1.33399      1.43201  0.896887 0.455731  ?        ?         
1 1 1 35 0  39 o 0.583628 0.399495  -0.422025    1.40023  -0.422025    1.40023  -0.422025    1.40023  0.482776 0.331937  ?        ?         
1 1 1 35 0  40 o 0.77511  0.478939  0.926503     1.426    0.926503     1.426    0.926503     1.426    0.743449 0.428852  ?        ?         
1 1 1 35 0  41 o 0.533138 0.373088  -0.726615    1.40079  -0.726615    1.40079  -0.726615    1.40079  0.436989 0.308067  ?        ?         
1 1 1 35 0  42 o 0.56986  0.396768  -0.439616    1.54417  -0.439616    1.54417  -0.439616    1.54417  0.483807 0.336375  ?        ?         
1 1 1 35 0  43 o 0.604681 0.420338  0.028342     1.69827  0.028342     1.69827  0.028342     1.69827  0.542301 0.370872  ?        ?         
1 1 1 35 0  44 o 0.709626 0.473631  1.18897      1.76247  1.18897      1.76247  1.18897      1.76247  0.71276  0.444084  ?        ?         
1 1 1 35 1  0  o 1.45419  0.180241  2.21102      0.506052 2.21102      0.506052 2.21102      0.506052 1.47149  0.123594  ?        ?         
1 1 1 35 1  1  o 12.8768  0.0932531 165.833      2.4016   163.507      3.42746  168.076      3.36612  12.7852  0.13404   12.9627  0.129838  
1 1 1 35 1  2  o 25.7191  0.185081  661.809      9.52026  663.696      13.67    660.032      13.2665  25.7485  0.265452  25.678   0.258323  
1 1 1 35 1  3  o 6.67947  0.0638659 44.618       0.85318  45.2624      1.20493  43.97        1.20823  6.72732  0.089555  6.63057  0.0911108 
1 1 1 35 1  4  o 16.9884  0.123082  288.672      4.18195  289.596      5.79392  287.666      6.04223  17.0137  0.170272  16.9566  0.178167  
1 1 1 35 1  5  o 29.6191  0.205546  877.847      12.1762  879.442      16.5186  875.95       18.0184  29.6377  0.278676  29.5753  0.304619  
1 1 1 35 1  6  o 11.7242  0.0890737 137.473      2.08863  139.516      2.92575  135.349      2.9826   11.8103  0.123865  11.6324  0.128202  
1 1 1 35 1  7  o 24.0048  0.164082  576.487      7.87753  578.566      11.1841  574.441      11.0974  24.0425  0.232591  23.9567  0.231614  
1 1 1 35 1  8  o 3.89737  0.06533   15.1906      0.50923  14.8325      0.711711 15.5663      0.728917 3.851    0.0924061 3.94511  0.0923823 
1 1 1 35 1  9  o 14.6746  0.105597  215.389      3.09918  216.43       4.35634  214.322      4.40994  14.7084  0.14809   14.6365  0.150649  
1 1 1 35 1  10 o 17.2677  0.119485  298.262      4.12647  298.059      5.77268  298.474      5.90084  17.2594  0.167233  17.2712  0.170829  
1 1 1 35 1  11 o 15.3848  0.110779  236.755      3.40865  235.921      4.85993  237.562      4.78213  15.3556  0.158246  15.4091  0.155172  
1 1 1 35 1  12 o 4.51683  0.07746   20.4044      0.699747 20.7918      0.997299 20.0287      0.98206  4.5592   0.109372  4.47475  0.109734  
1 1 1 35 1  13 o 12.8027  0.105071  163.951      2.69037  164.351      3.80658  163.552      3.80293  12.8165  0.148503  12.7854  0.148722  
1 1 1 35 1  14 o 16.7733  0.125142  281.459      4.19809  283.877      5.99116  279.125      5.88427  16.8416  0.177868  16.7002  0.176174  
1 1 1 35 1  15 o 10.6868  0.0862466 114.231      1.84339  116.022      2.63816  112.524      2.57682  10.769   0.122489  10.6054  0.121486  
1 1 1 35 1  16 o 17.4245  0.137222  303.801      4.78205  298.372      6.66797  309.551      6.86189  17.2629  0.19313   17.583   0.195128  
1 1 1 35 1  17 o 11.0997  0.106969  123.26       2.37464  135.826      3.90871  115.908      2.98961  11.6478  0.167787  10.7619  0.138898  
1 1 1 35 1  18 o 1.29799  0.268743  1.75374      0.674092 1.53929      0.951194 1.97011      0.955441 1.22806  0.36261   1.373    0.347467  
1 1 1 35 1  19 o 2.85241  0.128533  8.14379      0.733258 8.13073      1.03309  8.15705      1.04092  2.84882  0.18132   2.85339  0.1824    
1 1 1 35 1  20 o 3.38362  0.113018  11.4584      0.764818 11.2002      1.09672  11.7029      1.06712  3.34369  0.163998  3.41819  0.156095  
1 1 1 35 1  21 o 6.97115  0.0828632 48.6232      1.1553   47.3191      1.66091  49.8457      1.60807  6.87489  0.120795  7.05649  0.113942  
1 1 1 35 1  22 o 6.19494  0.08561   38.4061      1.0607   39.311       1.49121  37.4794      1.50905  6.26535  0.119005  6.11732  0.123343  
1 1 1 35 1  23 o 5.44184  0.0915519 29.6423      0.996421 29.6675      1.36749  29.6137      1.45487  5.4418   0.125647  5.4362   0.133813  
1 1 1 35 1  24 o 3.57008  0.110597  12.767       0.789678 12.0441      1.11741  13.4883      1.11614  3.46421  0.16128   3.66675  0.152197  
1 1 1 35 1  25 o 6.97557  0.086805  48.7172      1.21103  48.0777      1.69133  49.3899      1.7348   6.92548  0.122109  7.01915  0.123576  
1 1 1 35 1  26 o 2.43441  0.161409  5.95566      0.785871 5.32377      1.09677  6.62238      1.12661  2.29493  0.238956  2.56167  0.219896  
1 1 1 35 1  27 o 4.34025  0.107494  18.8843      0.933101 18.841       1.26971  18.9351      1.37589  4.33076  0.146591  4.33991  0.158516  
1 1 1 35 1  28 o 1.98128  0.213614  3.97142      0.846462 2.49532      1.24407  5.24381      1.15504  1.52105  0.40259   2.27127  0.254271  
1 1 1 35 1  29 o 3.24169  0.150565  10.5797      0.976167 10.7735      1.4006   10.3968      1.36126  3.25998  0.214817  3.20295  0.2125    
1 1 1 35 1  30 o 2.37139  0.183936  5.69002      0.872367 6.5603       1.29013  4.95692      1.1841   2.53252  0.254713  2.19849  0.269299  
1 1 1 35 1  31 o 5.64674  0.110346  32.0306      1.24619  31.3306      1.77856  32.7057      1.74663  5.57078  0.159633  5.69379  0.153381  
1 1 1 35 1  32 o 2.04226  0.206521  4.24682      0.84354  4.07255      1.18206  4.42766      1.20414  1.98046  0.298431  2.0668   0.291304  
1 1 1 35 1  33 o 2.48915  0.171562  6.29111      0.854087 7.34027      1.21483  5.26567      1.20101  2.67341  0.227205  2.2532   0.266514  
1 1 1 35 1  34 o 0.676379 0.303571  -0.309255    0.854507 0.375497     1.20357  -1.00524     1.2134   0.932297 0.388624  0.721039 0.337569  
1 1 1 35 1  35 o 1.89596  0.244427  3.7452       0.926848 4.80262      1.29762  2.64382      1.32431  2.12319  0.305583  1.5079   0.42241   
1 1 1 35 1  36 o 1.74973  0.264544  3.22588      0.925761 3.12062      1.31132  3.33048      1.30714  1.6378   0.402628  1.69893  0.392328  
1 1 1 35 1  37 o 1.51707  0.327464  2.60056      0.965315 1.60708      1.35869  3.6132       1.37173  1.20756  0.43686   1.75163  0.400155  
1 1 1 35 1  38 o 2.01822  0.253071  4.37984      1.02151  4.08138      1.42723  4.69331      1.46268  1.83018  0.400895  1.98288  0.382477  
1 1 1 35 1  39 o 1.04427  0.371392  1.25719      0.978278 1.0078       1.40739  1.49034      1.36078  1.03441  0.424644  1.12828  0.431383  
1 1 1 35 1  40 o 1.53913  0.34249   2.93643      1.02672  1.72549      1.40005  4.34542      1.5102   1.1369   0.436725  1.78622  0.427749  
1 1 1 35 1  41 o 0.793325 0.344233  0.384237     1.01206  1.59001      1.40622  -0.911443    1.4577   1.0705   0.430013  0.731627 0.350451  
1 1 1 35 1  42 o 1.79724  0.345727  4.33043      1.19837  4.54391      1.74381  4.1394       1.64961  1.5783   0.496256  1.52228  0.483204  
1 1 1 35 1  43 o 1.0949   0.412692  2.29162      1.2308   2.24583      1.7061   2.34132      1.77731  1.00264  0.440941  1.00755  0.445852  
1 1 1 35 1  44 o 0.657343 0.316398  -0.19987     1.22465  0.492711     1.74094  -0.878282    1.72304  0.764654 0.369987  0.673883 0.334562  
1 1 1 35 2  0  o 8.74931  0.107741  76.5919      1.88468  76.5919      1.88468  76.5919      1.88468  8.75049  0.0761611 ?        ?         
1 1 1 35 2  1  f 8.18518  0.0690996 67.0019      1.13118  66.5697      1.58856  67.4465      1.61116  8.15843  0.0973567 8.21198  0.098098  
1 1 1 35 2  2  o 11.7008  0.087518  136.924      2.04806  138.313      2.82611  135.387      2.97218  11.7594  0.120165  11.6341  0.127735  
1 1 1 35 2  3  o 9.43846  0.0731256 89.0916      1.38039  88.0598      1.89308  90.263       2.01713  9.38329  0.100875  9.49986  0.106166  
1 1 1 35 2  4  o 29.9317  0.205191  896.474      12.2834  901.694      17.6641  891.586      17.0928  30.0082  0.294322  29.8406  0.286402  
1 1 1 35 2  5  o 27.0786  0.184177  733.638      9.97452  726.266      13.9776  741.288      14.2383  26.9349  0.259469  27.2118  0.26162   
1 1 1 35 2  6  o 3.16439  0.0719967 10.0142      0.455652 8.97746      0.630081 11.1508      0.659717 2.99597  0.105155  3.33901  0.0987893 
1 1 1 35 2  7  o 23.1545  0.162035  536.377      7.50368  533.508      10.1103  539.895      11.1961  23.088   0.218952  23.2237  0.24105   
1 1 1 35 2  8  o 15.4779  0.113001  239.622      3.49805  238.868      4.7718   240.498      5.14299  15.4519  0.154408  15.504   0.165861  
1 1 1 35 2  9  f 1.50709  0.151366  2.27238      0.456244 2.84732      0.648682 1.70952      0.641825 1.68677  0.192285  1.28366  0.259075  
1 1 1 35 2  10 o 7.11904  0.0688509 50.6857      0.980303 52.6035      1.46042  49.1129      1.32253  7.25206  0.10069   7.0074   0.0943669 
1 1 1 35 2  11 o 14.7271  0.104516  216.938      3.07844  217.282      4.40983  216.612      4.2994   14.7369  0.149619  14.7143  0.146096  
1 1 1 35 2  12 o 6.65497  0.0781898 44.2947      1.0407   44.4852      1.49685  44.1165      1.44791  6.66876  0.112229  6.64112  0.109011  
1 1 1 35 2  13 o 3.44683  0.101126  11.8837      0.697126 10.8288      0.994167 12.9041      0.977807 3.28978  0.151099  3.5914   0.136132  
1 1 1 35 2  14 o 8.75842  0.0813165 76.7238      1.42441  76.9016      2.01935  76.5477      2.00952  8.76776  0.115158  8.74757  0.114862  
1 1 1 35 2  15 o 11.4519  0.0955986 131.182      2.18957  132.484      3.07888  129.85       3.11446  11.507   0.133782  11.3919  0.136696  
1 1 1 35 2  16 o 9.85544  0.0935282 97.1595      1.84352  93.7517      2.52328  101.061      2.69994  9.67964  0.130339  10.0497  0.134329  
1 1 1 35 2  17 o 5.25718  0.0895755 27.6476      0.941829 30.3278      1.35161  25.1179      1.31312  5.50524  0.122756  5.00988  0.131053  
1 1 1 35 2  18 o 6.86122  0.0796809 47.0915      1.09342  48.1735      1.5501   46.02        1.54258  6.93852  0.111702  6.78158  0.113733  
1 1 1 35 2  19 o 6.62321  0.0837289 43.885       1.10911  42.8648      1.60263  44.8227      1.53649  6.54423  0.122446  6.69238  0.114794  
1 1 1 35 2  20 o 3.17479  0.120396  10.0894      0.764465 8.9013       1.10336  11.1862      1.06017  2.97994  0.185131  3.34165  0.158629  
1 1 1 35 2  21 o 4.16563  0.0942015 17.3655      0.784817 16.6373      1.08577  18.1621      1.13572  4.07582  0.133196  4.25849  0.133347  
1 1 1 35 2  22 o 8.54532  0.086954  73.0808      1.4861   74.2877      2.07907  71.82        2.12501  8.61245  0.120702  8.46767  0.125478  
1 1 1 35 2  23 o 9.11427  0.0889196 83.1495      1.62087  80.4895      2.19136  86.3628      2.40852  8.96346  0.122239  9.28368  0.129718  
1 1 1 35 2  24 o 1.37163  0.270005  1.96508      0.71431  1.76447      1.00605  2.16903      1.01438  1.29876  0.369581  1.4318   0.355434  
1 1 1 35 2  25 o 1.95755  0.190772  3.85528      0.746891 4.12314      1.01937  3.54479      1.09748  2.01977  0.252349  1.86926  0.293558  
1 1 1 35 2  26 o 3.04546  0.131257  9.30628      0.799475 9.22575      1.16473  9.37802      1.09935  3.02641  0.192428  3.05266  0.180065  
1 1 1 35 2  27 o 3.55786  0.123739  12.7013      0.880492 11.08        1.21419  14.4994      1.27872  3.31645  0.183056  3.79596  0.168431  
1 1 1 35 2  28 o 1.89888  0.223789  3.65416      0.849899 5.04418      1.24016  2.42319      1.16705  2.22304  0.278932  1.49901  0.386803  
1 1 1 35 2  29 o 4.93154  0.114173  24.4174      1.1261   25.9988      1.6498   23.038       1.54086  5.07834  0.162435  4.78074  0.161153  
1 1 1 35 2  30 o 3.53688  0.13242   12.5888      0.93671  12.569       1.30489  12.6098      1.34546  3.52342  0.185174  3.52781  0.190693  
1 1 1 35 2  31 o 3.44763  0.147268  11.9857      1.01545  13.2387      1.50576  10.9405      1.37523  3.60823  0.208656  3.27987  0.209647  
1 1 1 35 2  32 o 0.980796 0.340563  0.933852     0.818322 1.55699      1.14246  0.277289     1.1727   1.21838  0.40296   0.913382 0.382356  
1 1 1 35 2  33 f 1.48082  0.295337  2.36697      0.843696 2.25711      1.18768  2.47889      1.19873  1.41875  0.400868  1.4853   0.396127  
1 1 1 35 2  34 o 0.871738 0.340096  0.56465      0.856078 1.12513      1.20443  -0.00760146  1.21702  1.0976   0.409324  0.865108 0.376463  
1 1 1 35 2  35 o 0.546175 0.264248  -1.33102     0.887259 0.0566391    1.26705  -2.66618     1.24285  0.884542 0.384508  0.577867 0.286377  
1 1 1 35 2  36 o 2.2323   0.215674  5.16348      0.962898 5.42869      1.35531  4.89318      1.36827  2.25192  0.300923  2.12808  0.321479  
1 1 1 35 2  37 o 1.06003  0.371337  1.2101       0.974711 0.445378     1.351    2.04029      1.40764  0.958448 0.406226  1.31179  0.447288  
1 1 1 35 2  38 o 2.19966  0.228156  5.1437       1.00373  6.1108       1.43054  4.20591      1.4087   2.34393  0.305157  1.86406  0.390421  
1 1 1 35 2  39 o 2.35024  0.220217  5.90655      1.03512  7.55785      1.48681  4.35331      1.44199  2.60167  0.285742  1.86409  0.398425  
1 1 1 35 2  40 o 2.44048  0.220552  6.48726      1.07651  6.362        1.4615   6.63583      1.59163  2.32024  0.314946  2.33994  0.3401    
1 1 1 35 2  41 o 1.2858   0.37673   2.28724      1.03057  1.6474       1.42047  2.99832      1.49747  1.07085  0.431343  1.3631   0.461339  
1 1 1 35 2  42 o 1.00349  0.395962  1.51049      1.16977  0.234524     1.76206  2.51597      1.56418  0.854207 0.401141  1.1748   0.459429  
1 1 1 35 2  43 f 1.37696  0.421519  3.46517      1.26946  3.03112      1.73404  3.96645      1.86352  1.10086  0.463083  1.21791  0.492616  
1 1 1 35 2  44 o 0.572077 0.283507  -1.08298     1.21803  -1.26066     1.70203  -0.896454    1.74383  0.634138 0.317069  0.657652 0.327881  
1 1 1 35 3  0  o 3.10201  0.102874  9.65492      0.636639 9.65492      0.636639 9.65492      0.636639 3.10463  0.0725897 ?        ?         
1 1 1 35 3  1  o 10.5783  0.083225  111.913      1.76076  114.034      2.47582  109.741      2.50462  10.6776  0.115936  10.4746  0.119557  
1 1 1 35 3  2  o 18.6119  0.132434  346.495      4.92971  348.211      6.77544  344.564      7.186    18.6557  0.181592  18.5571  0.193619  
1 1 1 35 3  3  o 12.3631  0.0903917 152.865      2.23504  153.067      3.09841  152.646      3.22716  12.3705  0.125234  12.3534  0.130619  
1 1 1 35 3  4  o 25.3299  0.185043  641.949      9.37423  643.313      12.9693  640.457      13.5651  25.3502  0.255802  25.2926  0.268164  
1 1 1 35 3  5  o 21.07    0.14606   444.102      6.15499  442.726      8.58763  445.556      8.82621  21.0337  0.20414   21.1004  0.209147  
1 1 1 35 3  6  o 21.3337  0.149622  455.305      6.38399  452.719      8.78519  458.198      9.29284  21.2692  0.206524  21.3967  0.217156  
1 1 1 35 3  7  o 20.1603  0.13886   406.584      5.59892  406.23       7.91517  406.938      7.92096  20.1479  0.196427  20.1654  0.196399  
1 1 1 35 3  8  o 7.92193  0.0694751 62.763       1.10075  61.9429      1.49831  63.7247      1.62249  7.86966  0.0951955 7.98195  0.101635  
1 1 1 35 3  9  f 3.1864   0.0808587 10.1545      0.515297 10.0371      0.734503 10.2683      0.72311  3.1677   0.115936  3.204    0.112845  
1 1 1 35 3  10 o 11.6502  0.0880053 135.75       2.05056  136.983      2.89808  134.514      2.90179  11.7021  0.123828  11.5961  0.125119  
1 1 1 35 3  11 o 2.30281  0.122289  5.30467      0.563215 5.19496      0.798688 5.4132       0.794343 2.27847  0.175268  2.32588  0.170762  
1 1 1 35 3  12 o 19.8655  0.15243   394.857      6.0562   396.116      8.57106  393.602      8.55848  19.8916  0.215444  19.8284  0.215814  
1 1 1 35 3  13 o 13.9147  0.107019  193.675      2.97827  192.887      4.19497  194.476      4.22905  13.8842  0.15107   13.9413  0.151674  
1 1 1 35 3  14 o 14.2999  0.111601  204.56       3.19176  202.916      4.6586   206.014      4.38178  14.2394  0.163581  14.3484  0.152693  
1 1 1 35 3  15 o 6.66369  0.0823348 44.4143      1.09731  45.7468      1.57194  43.1478      1.53247  6.76219  0.11623   6.56728  0.116675  
1 1 1 35 3  16 o 6.18654  0.0866726 38.2842      1.07241  40.2129      1.63422  36.8256      1.42121  6.33935  0.128895  6.06682  0.11713   
1 1 1 35 3  17 o 6.23577  0.0857556 38.898       1.06951  39.4763      1.56612  38.3926      1.46405  6.28076  0.124676  6.19418  0.11818   
1 1 1 35 3  18 o 4.50686  0.0903606 20.3207      0.814486 19.524       1.16719  21.0769      1.13711  4.41655  0.132139  4.58908  0.123893  
1 1 1 35 3  19 o 8.68295  0.0871259 75.4288      1.51302  76.9468      2.26055  74.1969      2.03642  8.76741  0.128918  8.61002  0.118259  
1 1 1 35 3  20 f 2.39934  0.143767  5.76551      0.689891 5.15357      0.947103 6.45723      1.00695  2.2665   0.208935  2.53743  0.19842   
1 1 1 35 3  21 o 7.41793  0.079823  55.0576      1.18424  56.3458      1.67704  53.7762      1.67251  7.50213  0.111771  7.3289   0.114104  
1 1 1 35 3  22 f 6.38409  0.0840776 40.788       1.07352  40.7104      1.4562   40.8804      1.58882  6.37595  0.114195  6.38841  0.124352  
1 1 1 35 3  23 o 7.7503   0.0861006 60.1239      1.33461  59.4096      1.79346  61.0103      1.9979   7.70111  0.116442  7.80276  0.128025  
1 1 1 35 3  24 o 1.29594  0.286523  1.76601      0.722832 2.37769      1.01818  1.14446      1.02635  1.49957  0.346237  1.10737  0.381701  
1 1 1 35 3  25 o 4.5004   0.0960066 20.2862      0.864135 19.852       1.19238  20.7665      1.2541   4.44854  0.134019  4.54944  0.13783   
1 1 1 35 3  26 o 4.35003  0.102608  18.9629      0.892698 18.4644      1.23297  19.5121      1.29419  4.28814  0.143765  4.40773  0.146809  
1 1 1 35 3  27 o 4.67038  0.103866  21.8666      0.970188 22.7856      1.42657  21.0758      1.32335  4.76117  0.149813  4.57988  0.144474  
1 1 1 35 3  28 o 1.05592  0.339097  1.13032      0.810661 1.12005      1.19549  1.13907      1.10298  1.12538  0.409522  1.11101  0.394432  
1 1 1 35 3  29 o 3.51048  0.139554  12.3992      0.979803 11.2838      1.37002  13.567       1.40183  3.33682  0.205288  3.66204  0.1914    
1 1 1 35 3  30 o 0.911235 0.34074   0.678077     0.835741 -1.16212     1.16215  2.64898      1.20272  0.692497 0.32534   1.55605  0.387484  
1 1 1 35 3  31 o 2.73243  0.173303  7.55493      0.947076 8.73571      1.37529  6.48994      1.30612  2.92374  0.235194  2.51413  0.259756  
1 1 1 35 3  32 o 1.36145  0.30931   2.01222      0.823278 1.55486      1.14558  2.50074      1.18395  1.21491  0.403509  1.4983   0.390991  
1 1 1 35 3  33 o 2.03045  0.210725  4.2261       0.855736 3.77754      1.19344  4.70077      1.22768  1.8624   0.332366  2.11826  0.289784  
1 1 1 35 3  34 o 2.32352  0.194859  5.52684      0.905518 5.83415      1.27344  5.21253      1.28787  2.36177  0.269595  2.22497  0.289414  
1 1 1 35 3  35 o 3.50651  0.141236  12.4786      0.990493 12.364       1.40505  12.5918      1.39653  3.46367  0.202826  3.49704  0.199673  
1 1 1 35 3  36 o 3.05729  0.165315  9.55554      1.01083  8.84238      1.41638  10.2958      1.44306  2.90403  0.243864  3.14186  0.229651  
1 1 1 35 3  37 o 4.68096  0.126404  22.2598      1.18338  21.5205      1.64394  23.0548      1.70482  4.56639  0.180004  4.72608  0.180363  
1 1 1 35 3  38 o 2.48367  0.202658  6.4806       1.00667  5.22727      1.41647  7.75969      1.43095  2.14733  0.329819  2.67036  0.267932  
1 1 1 35 3  39 o 0.837714 0.346416  0.508971     0.944484 1.05885      1.36661  0.00616654   1.3068   1.02853  0.419703  0.838293 0.375847  
1 1 1 35 3  40 o 0.919624 0.367645  0.891355     1.02092  2.01627      1.40627  -0.362212    1.4845   1.19628  0.443054  0.810628 0.377294  
1 1 1 35 3  41 o 0.968553 0.373751  1.22978      1.02803  2.21426      1.40665  0.101089     1.50616  1.18152  0.442009  0.833886 0.384998  
1 1 1 35 3  42 o 0.683166 0.322162  -0.394159    1.16049  -1.89348     1.77709  0.720621     1.53235  0.694776 0.343858  0.879283 0.399552  
1 1 1 35 3  43 o 0.993458 0.396852  1.89739      1.18839  1.84616      1.62092  1.95693      1.74748  0.932167 0.418245  0.937251 0.426102  
1 1 1 35 3  44 o 0.944085 0.395749  2.20966      1.25909  2.65975      1.8051   1.78317      1.75713  0.890897 0.415191  0.814174 0.388733  
1 1 1 35 4  0  o 12.7369  0.13791   162.309      3.51216  162.309      3.51216  162.309      3.51216  12.7385  0.0974919 ?        ?         
1 1 1 35 4  1  o 15.5556  0.112123  242.026      3.4883   243.434      4.79671  240.445      5.08205  15.5994  0.153746  15.503   0.163906  
1 1 1 35 4  2  o 1.43757  0.13219   2.06718      0.380064 1.80148      0.552354 2.30608      0.523768 1.34173  0.205837  1.51821  0.172495  
1 1 1 35 4  3  o 5.11417  0.0603502 26.1562      0.617282 26.1585      0.852637 26.1537      0.894826 5.11425  0.083359  5.11375  0.0874923 
1 1 1 35 4  4  f 13.8642  0.108117  192.253      2.99789  191.949      4.13313  192.591      4.35488  13.8519  0.14919   13.8748  0.156935  
1 1 1 35 4  5  o 16.1851  0.118363  262.022      3.83144  260.627      5.52605  263.314      5.31694  16.1397  0.171194  16.2231  0.16387   
1 1 1 35 4  6  o 17.6558  0.125393  311.816      4.42782  310.141      6.23306  313.523      6.29111  17.6057  0.177019  17.7014  0.177701  
1 1 1 35 4  7  o 11.6753  0.0868313 136.333      2.02756  134.194      2.86215  138.489      2.8727   11.5824  0.123556  11.7664  0.122072  
1 1 1 35 4  8  o 13.5836  0.0963187 184.549      2.61671  184.223      3.73934  184.861      3.66301  13.5702  0.137777  13.5938  0.13473   
1 1 1 35 4  9  o 15.1306  0.110014  228.994      3.32917  226.583      4.55972  231.748      4.87212  15.049   0.151496  15.2191  0.160065  
1 1 1 35 4  10 o 5.71013  0.0685559 32.6089      0.782927 33.0021      1.11579  32.2276      1.09885  5.74416  0.0971241 5.67635  0.0967923 
1 1 1 35 4  11 o 8.36996  0.0846636 70.0678      1.41726  70.938       1.93627  69.0636      2.08007  8.42118  0.114964  8.30895  0.12517   
1 1 1 35 4  12 o 28.9298  0.202155  837.782      11.6966  834.829      16.4923  840.771      16.591   28.8639  0.285691  28.9663  0.286384  
1 1 1 35 4  13 o 15.3545  0.114541  235.845      3.51744  235.428      5.14206  236.212      4.82217  15.3378  0.167628  15.364   0.156931  
1 1 1 35 4  14 o 27.5325  0.200224  758.948      11.0254  748.524      15.2099  770.49       16.0048  27.3274  0.278291  27.723   0.288656  
1 1 1 35 4  15 o 10.3063  0.0934508 106.252      1.92627  104.219      2.69603  108.372      2.75318  10.2058  0.132084  10.4071  0.132275  
1 1 1 35 4  16 o 6.09261  0.0825494 37.1304      1.00588  37.1039      1.5067   37.1516      1.35106  6.08935  0.123716  6.09365  0.110858  
1 1 1 35 4  17 o 6.32639  0.0860944 40.0376      1.08933  38.1332      1.5565   41.8658      1.52508  6.17282  0.126077  6.46819  0.117891  
1 1 1 35 4  18 o 6.72574  0.0816769 45.2525      1.09867  45.3063      1.61943  45.2067      1.49548  6.72826  0.120345  6.72126  0.11125   
1 1 1 35 4  19 o 4.12777  0.0951084 17.0485      0.785171 17.6107      1.12379  16.5122      1.09748  4.19404  0.133974  4.06108  0.135121  
1 1 1 35 4  20 o 9.11612  0.0835759 83.1486      1.52378  84.983       2.14941  81.2951      2.16052  9.21372  0.116642  9.01132  0.119878  
1 1 1 35 4  21 o 6.96378  0.0795931 48.5245      1.10854  49.5766      1.56535  47.466       1.57009  7.03681  0.111226  6.88518  0.114019  
1 1 1 35 4  22 o 3.65909  0.112995  13.4082      0.826916 15.7529      1.10877  10.4695      1.24129  3.96461  0.139833  3.22893  0.192215  
1 1 1 35 4  23 o 2.63404  0.139011  6.95621      0.732322 8.86585      1.01759  4.9046       1.05473  2.97171  0.171212  2.20617  0.239041  
1 1 1 35 4  24 o 2.58372  0.145087  6.69713      0.749729 6.0474       1.04295  7.3919       1.0785   2.45057  0.212798  2.71051  0.198948  
1 1 1 35 4  25 o 4.19954  0.0984114 17.6672      0.826566 16.8618      1.15878  18.5014      1.17938  4.09886  0.141353  4.29395  0.13733   
1 1 1 35 4  26 f 4.89535  0.0988959 24.0129      0.96826  24.9655      1.3525   23.0113      1.3868   4.98714  0.135599  4.78671  0.144859  
1 1 1 35 4  27 o 6.90351  0.0933909 47.7583      1.28945  48.5701      1.90386  47.0703      1.75263  6.95361  0.136897  6.84734  0.127979  
1 1 1 35 4  28 o 5.23107  0.110148  27.4591      1.15238  30.6267      1.79506  25.2383      1.50299  5.51344  0.162789  5.00779  0.150065  
1 1 1 35 4  29 o 3.24673  0.14483   10.6134      0.940446 11.1524      1.32348  10.0636      1.3366   3.31777  0.199454  3.14896  0.212229  
1 1 1 35 4  30 o 5.0836   0.108462  25.9519      1.10275  25.8545      1.54629  26.0527      1.57312  5.06344  0.152692  5.08223  0.154766  
1 1 1 35 4  31 o 1.12919  0.351729  1.3419       0.878738 1.7597       1.24405  0.925878     1.2414   1.29131  0.420495  1.07596  0.411837  
1 1 1 35 4  32 o 0.683219 0.301328  -0.1709      0.802712 1.14736      1.11981  -1.56422     1.15125  1.09818  0.39667   0.640284 0.30784   
1 1 1 35 4  33 o 2.06425  0.209247  4.36845      0.863874 2.93583      1.19646  5.92871      1.24862  1.61969  0.376216  2.38824  0.261409  
1 1 1 35 4  34 o 2.30888  0.19608   5.46277      0.905451 4.83742      1.27561  6.0978       1.28545  2.13864  0.298229  2.41456  0.266187  
1 1 1 35 4  35 o 1.37399  0.332464  2.11833      0.905029 2.98505      1.29471  1.29016      1.26559  1.60281  0.403796  1.13521  0.420335  
1 1 1 35 4  36 o 3.97662  0.134379  16.0593      1.06875  15.4591      1.51006  16.6616      1.51283  3.86914  0.195142  4.0213   0.188102  
1 1 1 35 4  37 o 2.92888  0.175825  8.85559      1.02994  7.11184      1.40724  10.8672      1.51145  2.56831  0.273962  3.20505  0.235791  
1 1 1 35 4  38 o 1.66892  0.310642  3.1876       0.998175 2.69383      1.35489  3.7737       1.47615  1.44936  0.433843  1.72422  0.429226  
1 1 1 35 4  39 o 0.875916 0.353246  0.677121     0.954285 1.10335      1.44328  0.346043     1.27201  1.04058  0.429078  0.878874 0.383654  
1 1 1 35 4  40 o 0.643    0.303598  -0.728912    1.03679  -0.416296    1.51603  -1.00358     1.42105  0.809187 0.378421  0.727645 0.347935  
1 1 1 35 4  41 o 0.703376 0.32526   -0.189211    1.08058  -0.162649    1.40463  -0.227723    1.69133  0.778617 0.364175  0.822026 0.38802   
1 1 1 35 4  42 o 0.748639 0.344622  0.120404     1.19553  -1.61461     1.74973  1.63968      1.63733  0.700992 0.345545  0.997808 0.435426  
1 1 1 35 4  43 o 0.736048 0.341112  0.391334     1.19687  -0.569492    1.62682  1.52506      1.76714  0.701563 0.3436    0.887852 0.412623  
1 1 1 35 5  0  o 2.87492  0.114559  8.30534      0.656318 8.30534      0.656318 8.30534      0.656318 2.87843  0.0807585 ?        ?         
1 1 1 35 5  1  o 29.0626  0.203904  845.218      11.852   844.921      16.5658  845.53       16.9637  29.0475  0.28515   29.057   0.291905  
1 1 1 35 5  2  o 6.52215  0.0605853 42.5411      0.790293 44.2026      1.13209  40.9618      1.10374  6.64809  0.0851438 6.39973  0.0862333 
1 1 1 35 5  3  o 15.9563  0.11485   254.661      3.66515  254.179      5.00266  255.219      5.38505  15.9395  0.156926  15.9716  0.168582  
1 1 1 35 5  4  o 16.0501  0.117023  257.669      3.75646  255.922      5.15991  259.639      5.47935  15.9938  0.16131   16.1091  0.17007   
1 1 1 35 5  5  o 3.28135  0.0714129 10.7683      0.468661 10.9826      0.644077 10.5272      0.683228 3.3137   0.0971839 3.24422  0.105299  
1 1 1 35 5  6  o 14.3103  0.101459  204.826      2.90381  206.189      4.13385  203.498      4.0799   14.3563  0.143973  14.2624  0.14303   
1 1 1 35 5  7  o 20.3332  0.140083  413.606      5.6967   415.281      7.91909  411.811      8.201    20.3705  0.194376  20.2846  0.202148  
1 1 1 35 5  8  o 2.61409  0.0945375 6.83473      0.494259 6.73148      0.691456 6.94261      0.706771 2.59402  0.133279  2.63439  0.134143  
1 1 1 35 5  9  o 5.73322  0.0686415 32.8732      0.787074 32.6488      1.13353  33.082       1.09372  5.71331  0.0992011 5.75114  0.095087  
1 1 1 35 5  10 o 8.85196  0.0851039 78.3698      1.50667  77.2336      2.05627  79.6869      2.21397  8.78691  0.117007  8.92521  0.124029  
1 1 1 35 5  11 f 10.9831  0.0912377 120.652      2.00414  119.804      2.82818  121.507      2.84041  10.9433  0.12922   11.0208  0.128866  
1 1 1 35 5  12 o 7.32783  0.0775255 53.7056      1.13619  53.5658      1.68319  53.8226      1.53997  7.31759  0.11501   7.33532  0.104969  
1 1 1 35 5  13 o 13.4199  0.109956  180.157      2.95121  185.475      4.31093  175.465      4.04868  13.614   0.158327  13.2419  0.152874  
1 1 1 35 5  14 o 5.96731  0.0866975 35.6172      1.0347   32.3988      1.44668  38.9877      1.48048  5.69054  0.127113  6.24263  0.118578  
1 1 1 35 5  15 o 5.53574  0.0833471 30.6522      0.922775 29.1187      1.30536  32.184       1.30464  5.39471  0.120985  5.67171  0.115013  
1 1 1 35 5  16 o 2.55978  0.142358  6.55841      0.72881  7.54994      1.09731  5.77576      0.974897 2.74524  0.199857  2.40105  0.203015  
1 1 1 35 5  17 o 6.11817  0.0810069 37.4447      0.991229 38.1234      1.39949  36.7615      1.40414  6.17238  0.113367  6.06104  0.115833  
1 1 1 35 5  18 o 9.27997  0.0864318 86.156       1.60417  87.0767      2.29115  85.2706      2.24677  9.32731  0.12282   9.23015  0.121708  
1 1 1 35 5  19 o 8.39303  0.0817778 70.4754      1.37273  70.5841      1.96196  70.3713      1.92134  8.39744  0.116819  8.38492  0.114571  
1 1 1 35 5  20 o 13.9752  0.108036  195.496      3.01964  194.242      4.1868   196.855      4.35926  13.9239  0.150346  14.0163  0.155507  
1 1 1 35 5  21 o 1.80257  0.185725  3.26095      0.669565 2.37731      0.904177 4.3339       0.996331 1.50701  0.310607  2.07561  0.240009  
1 1 1 35 5  22 o 12.6565  0.103609  160.39       2.62265  161.613      3.59656  159.001      3.83266  12.6976  0.141623  12.5923  0.152183  
1 1 1 35 5  23 f 4.04749  0.0996106 16.4049      0.806345 16.5844      1.14167  16.2261      1.13902  4.06679  0.140366  4.02252  0.141581  
1 1 1 35 5  24 o 2.1595   0.170616  4.68525      0.736888 5.06404      1.00935  4.25293      1.0783   2.24114  0.225186  2.0508   0.262899  
1 1 1 35 5  25 o 1.6899   0.207947  2.87915      0.702819 2.38721      0.988924 3.38119      0.999026 1.5001   0.337759  1.8259   0.27357   
1 1 1 35 5  26 o 3.08241  0.131454  9.53609      0.81039  9.71468      1.12278  9.34186      1.17087  3.10618  0.180732  3.04463  0.192284  
1 1 1 35 5  27 o 1.55473  0.249727  2.4552       0.776517 2.56207      1.10731  2.3518       1.08924  1.54538  0.36387   1.47984  0.368899  
1 1 1 35 5  28 o 4.3018   0.117711  18.581       1.01274  18.973       1.51122  18.2615      1.36445  4.33657  0.174241  4.25737  0.160246  
1 1 1 35 5  29 o 2.2473   0.197492  5.11741      0.887651 4.64096      1.262    5.58392      1.24876  2.12228  0.297323  2.3345   0.267457  
1 1 1 35 5  30 o 3.17376  0.146869  10.1515      0.932252 9.95496      1.34542  10.333       1.29295  3.12881  0.215005  3.19063  0.202617  
1 1 1 35 5  31 o 1.14655  0.344904  1.39754      0.854896 1.42318      1.19183  1.37038      1.22695  1.19191  0.411276  1.18268  0.416396  
1 1 1 35 5  32 o 2.62077  0.164416  6.96258      0.861795 5.82327      1.20586  8.15199      1.23209  2.37467  0.2539    2.82129  0.218356  
1 1 1 35 5  33 o 4.45997  0.113546  20.0414      1.01282  19.8298      1.41613  20.2629      1.44914  4.41996  0.160197  4.46712  0.1622    
1 1 1 35 5  34 o 3.34224  0.142965  11.3221      0.955648 12.5013      1.36955  10.2032      1.33412  3.4913   0.196138  3.14754  0.211931  
1 1 1 35 5  35 o 1.36017  0.334403  2.07956      0.904511 1.74539      1.29482  2.39804      1.26407  1.25251  0.428989  1.43388  0.41631   
1 1 1 35 5  36 o 1.16154  0.361218  1.52794      0.927295 3.07076      1.31456  -9.63926e-05 1.30825  1.60963  0.407701  0.877783 0.386075  
1 1 1 35 5  37 o 2.272    0.217709  5.43009      0.989268 5.55019      1.37174  5.29994      1.42803  2.24357  0.305705  2.17718  0.327953  
1 1 1 35 5  38 o 2.19738  0.219883  5.12777      0.966334 4.62266      1.31818  5.71457      1.42078  2.01586  0.326953  2.2506   0.315646  
1 1 1 35 5  39 o 0.722114 0.324035  -0.09409     0.973176 1.27408      1.419    -1.30907     1.3372   1.06293  0.429892  0.687618 0.330884  
1 1 1 35 5  40 o 0.985854 0.37759   1.17267      1.04406  0.0836151    1.52493  2.13365      1.43246  0.866314 0.394971  1.21242  0.447535  
1 1 1 35 5  41 o 1.59857  0.355825  3.45963      1.10795  3.90512      1.56387  3.0107       1.5699   1.52333  0.468164  1.30503  0.469838  
1 1 1 35 5  42 o 0.762866 0.349355  0.314999     1.21106  2.78565      1.76068  -1.90352     1.66843  1.13234  0.4709    0.657398 0.326766  
1 1 1 35 5  43 o 0.555583 0.275663  -1.45978     1.16087  -2.26069     1.59235  -0.551233    1.69598  0.600325 0.301856  0.715282 0.350438  
1 1 1 35 6  0  o 21.901   0.216743  479.996      9.49171  479.996      9.49171  479.996      9.49171  21.9049  0.153217  ?        ?         
1 1 1 35 6  1  o 11.1993  0.0851213 125.44       1.90659  125.957      2.67498  124.906      2.7182   11.2216  0.119189  11.1746  0.121624  
1 1 1 35 6  2  o 15.1862  0.108693  230.669      3.30125  226.745      4.59605  234.852      4.74485  15.0548  0.152643  15.3215  0.154843  
1 1 1 35 6  3  o 8.79577  0.0709735 77.3729      1.24853  78.7739      1.7934   76.0551      1.73924  8.87462  0.101041  8.72015  0.0997252 
1 1 1 35 6  4  o 17.5978  0.127654  309.778      4.49285  309.085      6.34664  310.474      6.36109  17.5753  0.180556  17.6147  0.180562  
1 1 1 35 6  5  o 12.9558  0.0952204 167.883      2.46731  164.193      3.50353  171.514      3.47525  12.8114  0.136735  13.094   0.132704  
1 1 1 35 6  6  o 3.95328  0.0712424 15.63        0.563282 15.8794      0.80122  15.3863      0.792061 3.98448  0.100543  3.92213  0.100973  
1 1 1 35 6  7  o 5.67492  0.0690395 32.208       0.783588 31.2919      1.07899  33.2303      1.13984  5.59337  0.0964522 5.76398  0.098876  
1 1 1 35 6  8  o 5.85975  0.0681334 34.3401      0.79849  34.815       1.11843  33.8464      1.14036  5.89985  0.0947845 5.81716  0.0980169 
1 1 1 35 6  9  o 3.60261  0.0824982 12.9808      0.594418 12.4104      0.840668 13.5511      0.840601 3.52228  0.119336  3.68065  0.114192  
1 1 1 35 6  10 o 16.336   0.120764  266.958      3.94561  264.708      5.5491   269.258      5.61129  16.2642  0.170592  16.4034  0.17104   
1 1 1 35 6  11 o 9.91194  0.0942592 98.2687      1.86858  101.661      2.61957  94.7547      2.6662   10.0805  0.129932  9.73188  0.136983  
1 1 1 35 6  12 o 18.557   0.136794  344.539      5.07696  337.116      7.05641  352.506      7.31013  18.3514  0.192259  18.7653  0.194778  
1 1 1 35 6  13 o 11.1632  0.0968714 124.653      2.16279  125.892      3.11759  123.502      3.00294  11.2169  0.138968  11.1101  0.135145  
1 1 1 35 6  14 f 15.6327  0.125707  244.511      3.93029  240.652      5.73888  247.919      5.3937   15.504   0.185078  15.7376  0.171363  
1 1 1 35 6  15 f 7.72679  0.0892646 59.7224      1.37946  59.7008      1.92006  59.7456      1.98317  7.7242   0.124289  7.72693  0.128328  
1 1 1 35 6  16 f 12.3798  0.102297  153.335      2.53282  153.115      3.67974  153.533      3.49156  12.3674  0.148767  12.385   0.140959  
1 1 1 35 6  17 o 3.98165  0.0941518 15.8612      0.74976  15.5871      1.04659  16.1503      1.07461  3.94616  0.132609  4.01679  0.133764  
1 1 1 35 6  18 o 6.58621  0.081425  43.3961      1.07256  43.7906      1.46975  42.9467      1.56876  6.61487  0.111094  6.55041  0.119745  
1 1 1 35 6  19 o 6.45488  0.0808861 41.6855      1.04422  43.5823      1.51135  39.953       1.44443  6.59848  0.114522  6.31777  0.114315  
1 1 1 35 6  20 o 7.14389  0.0810291 51.0654      1.15773  50.1095      1.58715  52.1525      1.69246  7.07477  0.112169  7.21717  0.117253  
1 1 1 35 6  21 o 6.54779  0.080441  42.9036      1.05342  42.7111      1.4702   43.1067      1.51013  6.53091  0.112557  6.56088  0.115086  
1 1 1 35 6  22 o 11.1204  0.096053  123.807      2.1363   123.675      2.91497  123.959      3.13992  11.109   0.131199  11.1198  0.141186  
1 1 1 35 6  23 o 2.97301  0.125182  8.85891      0.744334 7.8745       1.02185  9.97165      1.08641  2.79935  0.182515  3.15096  0.172394  
1 1 1 35 6  24 o 3.06212  0.120614  9.39964      0.738666 9.2399       1.02425  9.57276      1.06628  3.03235  0.168887  3.08614  0.172753  
1 1 1 35 6  25 o 6.1933   0.0865281 38.4138      1.07179  37.9581      1.48833  38.9047      1.54473  6.15215  0.12096   6.22793  0.124016  
1 1 1 35 6  26 o 1.00494  0.323409  1.01093      0.737105 0.995838     1.05667  1.02524      1.02874  1.06658  0.385316  1.06821  0.380756  
1 1 1 35 6  27 o 5.00753  0.0983352 25.1399      0.984834 24.7033      1.38182  25.5906      1.40397  4.95754  0.139366  5.04584  0.139122  
1 1 1 35 6  28 o 0.970955 0.343125  0.866766     0.833839 0.139773     1.24052  1.46594      1.1262   0.919832 0.389531  1.20447  0.400082  
1 1 1 35 6  29 o 1.13463  0.343718  1.35714      0.847042 2.20892      1.23111  0.59145      1.16724  1.42451  0.40996   0.984782 0.39333   
1 1 1 35 6  30 o 0.788834 0.326243  0.221566     0.837849 -0.701349    1.18743  1.13666      1.18239  0.761174 0.347473  1.1176   0.407214  
1 1 1 35 6  31 o 2.43616  0.177218  6.01528      0.86346  5.69324      1.18178  6.38408      1.26466  2.35408  0.251007  2.49209  0.253736  
1 1 1 35 6  32 o 3.24833  0.142167  10.6629      0.923609 11.5994      1.33845  9.81148      1.27613  3.37124  0.198511  3.09816  0.20595   
1 1 1 35 6  33 o 0.870468 0.335134  0.590574     0.825577 0.109788     1.1438   1.11347      1.19283  0.863016 0.37003   1.09415  0.407485  
1 1 1 35 6  34 o 2.4498   0.183543  6.14126      0.899287 6.12693      1.26764  6.15578      1.27597  2.41854  0.262067  2.42375  0.263222  
1 1 1 35 6  35 o 1.55924  0.304088  2.67463      0.91446  2.2569       1.30207  3.08121      1.28459  1.39094  0.427125  1.63033  0.397092  
1 1 1 35 6  36 o 1.04634  0.363918  1.1657       0.934735 2.87157      1.30024  -0.65886     1.34471  1.55298  0.411823  0.79539  0.365869  
1 1 1 35 6  37 o 0.987038 0.358243  1.0303       0.914326 1.46651      1.30398  0.608411     1.2824   1.14257  0.425941  0.956192 0.40003   
1 1 1 35 6  38 o 0.909012 0.358724  0.75635      0.960201 -0.705225    1.34166  2.29104      1.37481  0.764336 0.356881  1.32813  0.442041  
1 1 1 35 6  39 o 0.767147 0.33331   0.210973     0.95119  -1.14089     1.35067  1.54109      1.33976  0.703958 0.337232  1.10507  0.426622  
1 1 1 35 6  40 o 1.30888  0.373757  2.28406      1.02718  4.25161      1.52098  0.634206     1.39278  1.72358  0.439728  0.914212 0.400245  
1 1 1 35 6  41 o 0.852053 0.362496  0.777463     1.08275  0.505028     1.53005  1.05074      1.53242  0.864737 0.394624  0.936882 0.414364  
1 1 1 35 6  42 o 0.856859 0.37586   1.04186      1.23312  -0.0203977   1.69601  2.23316      1.79607  0.775449 0.373025  1.0138   0.448462  
1 1 1 35 6  43 o 0.564756 0.278994  -1.29085     1.15641  -1.05714     1.5673   -1.57011     1.71323  0.660317 0.325864  0.652831 0.32541   
1 1 1 35 7  0  o 12.192   0.137509  148.728      3.35205  148.728      3.35205  148.728      3.35205  12.1937  0.0972058 ?        ?         
1 1 1 35 7  1  o 0.984053 0.22743   1.00824      0.438972 1.44705      0.626387 0.584735     0.615361 1.17868  0.271184  0.827776 0.294539  
1 1 1 35 7  2  o 11.4746  0.0847334 131.686      1.94457  133.285      2.81072  130.217      2.69313  11.5433  0.121747  11.4097  0.118019  
1 1 1 35 7  3  o 20.1175  0.135331  404.863      5.44505  409.145      7.77927  400.749      7.62402  20.2198  0.192367  20.0114  0.190491  
1 1 1 35 7  4  o 3.38958  0.0715569 11.4904      0.485095 11.2247      0.703768 11.731       0.669565 3.34995  0.105042  3.42472  0.0977549 
1 1 1 35 7  5  o 22.1446  0.151818  490.616      6.72391  485.002      9.62496  495.968      9.39722  22.0119  0.218631  22.2601  0.211078  
1 1 1 35 7  6  o 23.2027  0.160913  538.656      7.4672   528.265      10.4883  549.337      10.6337  22.9714  0.22829   23.4252  0.22697   
1 1 1 35 7  7  o 3.00129  0.0866842 9.00917      0.520328 8.66475      0.682283 9.48793      0.804419 2.94317  0.11591   3.07968  0.130601  
1 1 1 35 7  8  o 2.41696  0.0998143 5.84298      0.482495 5.50735      0.66566  6.21451      0.700362 2.34625  0.141856  2.49235  0.140502  
1 1 1 35 7  9  o 16.5367  0.123281  273.559      4.07731  271.75       5.80145  275.326      5.73157  16.4789  0.176027  16.5872  0.172771  
1 1 1 35 7  10 o 14.2511  0.110169  203.154      3.14004  204.501      4.57228  201.951      4.31983  14.2958  0.159916  14.2069  0.152033  
1 1 1 35 7  11 o 10.8698  0.0870305 118.176      1.89201  116.154      2.72486  120.058      2.62911  10.7752  0.126441  10.955   0.119996  
1 1 1 35 7  12 o 16.3203  0.12209   266.468      3.98509  264.705      5.62143  268.25       5.65022  16.2627  0.172832  16.3713  0.172565  
1 1 1 35 7  13 o 6.70312  0.0824978 44.9415      1.10598  43.2001      1.6682   46.3072      1.47733  6.571    0.126937  6.80367  0.108569  
1 1 1 35 7  14 f 24.8548  0.175531  618.463      8.72559  617.259      12.3324  619.67       12.3473  24.8163  0.248473  24.8648  0.24829   
1 1 1 35 7  15 o 8.09434  0.0825306 65.538       1.33606  65.1668      1.89714  65.9032      1.8819   8.0701   0.117541  8.11564  0.115943  
1 1 1 35 7  16 o 7.8399   0.0880076 61.4882      1.37994  61.2208      1.9203   61.7736      1.98434  7.8214   0.122759  7.85645  0.126287  
1 1 1 35 7  17 o 10.1548  0.0893464 103.168      1.81459  101.557      2.40283  105.306      2.76823  10.0734  0.119266  10.2565  0.134951  
1 1 1 35 7  18 o 5.46176  0.0825936 29.8444      0.902213 30.5929      1.24382  29.0133      1.31064  5.52873  0.112487  5.38371  0.121723  
1 1 1 35 7  19 o 1.59323  0.203378  2.54663      0.648055 3.65525      0.923729 1.47211      0.909414 1.90743  0.24214   1.19892  0.354732  
1 1 1 35 7  20 o 8.92081  0.0817209 79.6337      1.45803  81.5065      2.07514  77.8076      2.04905  9.02221  0.115002  8.81499  0.116225  
1 1 1 35 7  21 o 7.48733  0.0818954 56.1025      1.22636  55.1195      1.70675  57.1517      1.76329  7.41871  0.11503   7.55407  0.116711  
1 1 1 35 7  22 o 8.0061   0.0852759 64.1596      1.36545  64.4646      1.89411  63.8296      1.97022  8.02155  0.118064  7.98125  0.123428  
1 1 1 35 7  23 o 3.68363  0.105708  13.592       0.778776 12.8168      1.08522  14.4151      1.11823  3.57377  0.151832  3.79043  0.147507  
1 1 1 35 7  24 o 4.22127  0.0957029 17.8482      0.807975 17.3169      1.12217  18.42        1.16429  4.15459  0.135052  4.28478  0.135864  
1 1 1 35 7  25 o 0.851122 0.313856  0.589181     0.704201 0.67851      0.988993 0.497315     1.00293  0.964379 0.368039  0.923184 0.36589   
1 1 1 35 7  26 o 5.13169  0.0928951 26.387       0.953418 27.3593      1.34558  25.4067      1.35111  5.22058  0.128872  5.03002  0.134305  
1 1 1 35 7  27 o 5.47934  0.0949651 30.0986      1.04069  30.4037      1.43709  29.7621      1.50906  5.50102  0.130621  5.44105  0.138674  
1 1 1 35 7  28 o 2.19205  0.194879  4.86248      0.85437  3.31026      1.30867  6.01549      1.1279   1.74712  0.384896  2.432    0.231887  
1 1 1 35 7  29 o 3.53485  0.135901  12.5783      0.960778 12.8958      1.49987  12.3573      1.25118  3.56257  0.210503  3.49506  0.178993  
1 1 1 35 7  30 o 1.38434  0.321276  2.06876      0.873111 1.98471      1.19301  2.1657       1.28123  1.35355  0.407494  1.40943  0.421884  
1 1 1 35 7  31 o 1.0133   0.339494  1.03791      0.810928 1.37288      1.1567   0.71414      1.13719  1.16716  0.404934  0.995577 0.391179  
1 1 1 35 7  32 o 2.69235  0.164138  7.35555      0.883834 7.34747      1.24876  7.36366      1.25111  2.67084  0.233775  2.67372  0.233964  
1 1 1 35 7  33 o 4.12191  0.120447  17.1411      0.992943 15.6527      1.38213  18.7287      1.42744  3.91892  0.17634   4.29119  0.166322  
1 1 1 35 7  34 o 2.99209  0.157588  9.11376      0.943035 8.04598      1.30786  10.2701      1.36104  2.78153  0.235097  3.15205  0.215898  
1 1 1 35 7  35 o 2.07285  0.222676  4.46093      0.923147 3.80374      1.2979   5.13379      1.31329  1.83269  0.367052  2.19111  0.299686  
1 1 1 35 7  36 f 0.74802  0.327224  -0.0241006   0.929405 0.733296     1.284    -0.857663    1.34702  0.999102 0.407113  0.770081 0.358799  
1 1 1 35 7  37 o 0.735497 0.322753  0.00350446   0.910013 -1.31445     1.28385  1.3343       1.29008  0.688336 0.329516  1.10624  0.420878  
1 1 1 35 7  38 o 1.63117  0.29517   3.04237      0.927598 3.67078      1.3295   2.44632      1.29483  1.71453  0.395499  1.37102  0.426938  
1 1 1 35 7  39 f 0.797758 0.341672  0.360136     0.973314 0.127215     1.36637  0.600075     1.3868   0.849181 0.382373  0.923942 0.401962  
1 1 1 35 7  40 o 0.626538 0.295218  -0.616624    0.970681 -1.76096     1.3678   0.544429     1.37775  0.639333 0.31369   0.88763  0.392699  
1 1 1 35 7  41 o 0.881909 0.373151  0.916781     1.1368   1.35341      1.59193  0.462443     1.6239   0.979429 0.428357  0.86724  0.400155  
1 1 1 35 7  42 o 0.821646 0.363581  0.885906     1.18182  -0.341644    1.59944  2.36204      1.75392  0.729586 0.353298  1.01945  0.447713  
1 1 1 35 7  43 o 0.646354 0.30994   -0.251453    1.14793  -0.218256    1.56382  -0.290242    1.6904   0.707814 0.344652  0.716154 0.35063   
1 1 1 35 8  0  o 26.3334  0.259349  694.122      13.6561  694.122      13.6561  694.122      13.6561  26.3398  0.183323  ?        ?         
1 1 1 35 8  1  o 11.0812  0.088031  122.813      1.95098  123.382      2.84602  122.309      2.6797   11.1059  0.128131  11.0577  0.121169  
1 1 1 35 8  2  o 16.5283  0.116293  273.26       3.84427  271.455      5.46721  275.025      5.40652  16.4712  0.165962  16.5794  0.16305   
1 1 1 35 8  3  o 16.609   0.113351  275.932      3.7653   272.927      5.27936  279.044      5.37173  16.5161  0.159824  16.7001  0.160829  
1 1 1 35 8  4  f 22.6373  0.158361  512.715      7.16974  510.839      10.1075  514.615      10.1719  22.5899  0.223718  22.6732  0.224315  
1 1 1 35 8  5  o 21.8437  0.15153   477.381      6.61998  474.406      9.20333  480.57       9.52931  21.7705  0.211371  21.9109  0.217456  
1 1 1 35 8  6  o 10.1063  0.077025  102.151      1.55688  99.8352      2.19431  104.498      2.20928  9.99045  0.109821  10.2211  0.108074  
1 1 1 35 8  7  o 2.745    0.0890355 7.53631      0.488804 8.06481      0.680727 6.97375      0.702326 2.83941  0.119871  2.64027  0.133003  
1 1 1 35 8  8  o 11.838   0.0955536 140.167      2.26232  139.74       3.32224  140.537      3.08927  11.8185  0.140553  11.8525  0.130321  
1 1 1 35 8  9  o 4.59002  0.0774215 21.0714      0.710733 21.3864      1.01999  20.7741      0.990903 4.62385  0.110296  4.5572   0.108718  
1 1 1 35 8  10 o 10.866   0.0897438 118.094      1.95031  116.655      2.71594  119.626      2.80239  10.7985  0.125756  10.935   0.128139  
1 1 1 35 8  11 o 7.85307  0.0747256 61.6804      1.17365  62.4458      1.69356  60.9731      1.62797  7.90098  0.107174  7.80733  0.104259  
1 1 1 35 8  12 o 1.32017  0.252798  1.8044       0.643667 2.62698      0.990985 1.20413      0.846549 1.58963  0.322938  1.10142  0.345658  
1 1 1 35 8  13 o 15.2374  0.122958  232.299      3.74712  232.376      5.37171  232.227      5.2296   15.2357  0.176287  15.2313  0.171673  
1 1 1 35 8  14 o 3.96239  0.091484  15.7059      0.72499  14.7892      1.02667  16.6176      1.02392  3.84427  0.133533  4.07515  0.125629  
1 1 1 35 8  15 o 8.73226  0.084899  76.2783      1.48272  76.3161      2.14879  76.244       2.04856  8.73277  0.12303   8.72892  0.117343  
1 1 1 35 8  16 o 8.29211  0.0859075 68.7866      1.42471  67.9432      1.94047  69.7731      2.09848  8.23969  0.117751  8.34948  0.125665  
1 1 1 35 8  17 o 7.71745  0.0828304 59.5841      1.27848  57.951       1.77433  61.3476      1.84376  7.60936  0.116588  7.82912  0.11775   
1 1 1 35 8  18 o 6.70639  0.077926  44.9951      1.0452   46.1016      1.46766  43.8563      1.48885  6.78696  0.108123  6.6194   0.112461  
1 1 1 35 8  19 o 3.98444  0.0937849 15.8877      0.74736  16.29        1.04782  15.4711      1.06627  4.03315  0.129901  3.93022  0.135651  
1 1 1 35 8  20 o 2.7914   0.119287  7.80361      0.665956 8.02779      0.921139 7.55812      0.963926 2.82941  0.162779  2.74478  0.175593  
1 1 1 35 8  21 f 2.48154  0.138367  6.17203      0.686726 6.96351      0.949188 5.30271      0.994769 2.63376  0.180197  2.29635  0.216598  
1 1 1 35 8  22 o 4.04292  0.100061  16.368       0.809078 16.1966      1.10082  16.5694      1.19317  4.01923  0.136944  4.06443  0.146782  
1 1 1 35 8  23 o 4.87819  0.0881921 23.8262      0.860435 25.3376      1.23614  22.4056      1.19841  5.02754  0.122937  4.72736  0.126753  
1 1 1 35 8  24 o 2.66392  0.132527  7.11975      0.706082 7.44698      0.99244  6.78433      1.00478  2.72047  0.182402  2.5956   0.193554  
1 1 1 35 8  25 o 6.1513   0.0883866 37.9004      1.08739  40.1878      1.57432  35.8136      1.5037   6.32922  0.124369  5.97462  0.125841  
1 1 1 35 8  26 o 1.8528   0.195586  3.46496      0.724762 3.01493      1.00023  3.96243      1.05164  1.69216  0.306841  1.97357  0.266431  
1 1 1 35 8  27 o 1.3255   0.290236  1.86729      0.748318 2.36217      1.08416  1.41698      1.03418  1.48005  0.367483  1.1795   0.383388  
1 1 1 35 8  28 o 4.26591  0.11611   18.2782      0.99063  17.599       1.45095  18.8713      1.35581  4.17427  0.173796  4.32654  0.156686  
1 1 1 35 8  29 o 2.19589  0.20603   4.89524      0.904837 5.39976      1.40036  4.53363      1.18556  2.28528  0.306387  2.09919  0.282386  
1 1 1 35 8  30 o 3.20237  0.146516  10.3429      0.938397 11.493       1.26929  8.95655      1.39359  3.36625  0.188532  2.96007  0.235398  
1 1 1 35 8  31 o 1.11791  0.330694  1.34364      0.790419 1.89017      1.11543  0.792406     1.12023  1.31231  0.393809  1.00771  0.389884  
1 1 1 35 8  32 o 1.64613  0.265414  2.81859      0.873809 2.55075      1.28357  3.04993      1.19291  1.49904  0.414503  1.65413  0.369935  
1 1 1 35 8  33 o 2.40715  0.180715  5.91364      0.870015 5.69355      1.21226  6.14741      1.24936  2.33659  0.259407  2.42878  0.257199  
1 1 1 35 8  34 o 0.775678 0.326549  0.191795     0.863374 0.86836      1.19695  -0.542009    1.24655  1.02367  0.401575  0.785978 0.358011  
1 1 1 35 8  35 o 3.19189  0.151463  10.3788      0.966905 8.93382      1.34136  11.9418      1.39504  2.92699  0.229136  3.39784  0.205284  
1 1 1 35 8  36 o 2.44074  0.199653  6.19113      0.974604 4.73845      1.3372   7.8372       1.42343  2.0737   0.322419  2.70936  0.262687  
1 1 1 35 8  37 o 2.58794  0.189546  6.99227      0.981064 6.15595      1.36497  7.886        1.41104  2.36373  0.288733  2.69782  0.261516  
1 1 1 35 8  38 o 0.845544 0.346464  0.54625      0.935137 1.18339      1.33956  -0.0594131   1.30605  1.05323  0.421098  0.830445 0.373892  
1 1 1 35 8  39 o 0.791136 0.340157  0.341637     0.971282 1.52149      1.3562   -0.900771    1.39169  1.08824  0.427315  0.731974 0.348446  
1 1 1 35 8  40 o 0.804916 0.347989  0.463232     1.02715  1.62323      1.42627  -0.786601    1.48047  1.06413  0.430737  0.741945 0.35486   
1 1 1 35 8  41 o 1.41761  0.401881  3.05782      1.19176  1.56545      1.7201   4.4356       1.65274  1.00565  0.442502  1.58653  0.480024  
1 1 1 35 8  42 o 0.652219 0.31288   -0.371096    1.17282  0.89283      1.5858   -1.89711     1.74247  0.83195  0.388274  0.646976 0.323288  
1 1 1 35 8  43 o 0.569744 0.28202   -1.10902     1.19651  -2.03147     1.6779   -0.154629    1.7067   0.600444 0.302813  0.703184 0.346366  
1 1 1 35 9  0  o 28.7964  0.271027  830.085      15.6061  830.085      15.6061  830.085      15.6061  28.8038  0.191577  ?        ?         
1 1 1 35 9  1  o 2.43001  0.0977508 5.90613      0.475071 7.33568      0.705802 4.72198      0.642372 2.70796  0.13032   2.17251  0.147841  
1 1 1 35 9  2  o 18.3673  0.129805  337.478      4.76835  334.881      6.55401  340.399      6.95035  18.2936  0.179134  18.443   0.188428  
1 1 1 35 9  3  o 4.12236  0.0748324 16.9959      0.616973 16.0841      0.820634 18.1813      0.93571  4.01006  0.102322  4.2634   0.109737  
1 1 1 35 9  4  o 12.7924  0.0992621 163.679      2.5396   161.066      3.54759  166.427      3.63715  12.6885  0.139795  12.8979  0.140998  
1 1 1 35 9  5  o 8.30974  0.0717805 69.0595      1.19296  69.2331      1.81091  68.9265      1.58563  8.31957  0.108834  8.30137  0.0955043 
1 1 1 35 9  6  o 5.2573   0.065389  27.6418      0.68754  27.9488      0.995041 27.3613      0.951102 5.28614  0.0941179 5.23033  0.0909219 
1 1 1 35 9  7  o 6.0898   0.0695935 37.0898      0.847621 37.6261      1.19646  36.5495      1.20099  6.13333  0.0975375 6.04492  0.0993386 
1 1 1 35 9  8  o 17.3784  0.135652  302.143      4.71482  299.103      6.89849  304.807      6.45875  17.2862  0.199538  17.4514  0.185049  
1 1 1 35 9  9  o 6.65955  0.0750163 44.3561      0.99915  43.9759      1.54942  44.6267      1.30727  6.63026  0.116844  6.67949  0.0978569 
1 1 1 35 9  10 o 9.01571  0.081083  81.2978      1.46204  79.5032      2.069    83.0877      2.06628  8.91478  0.116043  9.11361  0.113362  
1 1 1 35 9  11 o 7.7202   0.0792094 59.6126      1.22303  58.1298      1.78748  60.9179      1.67704  7.62272  0.117247  7.80364  0.107452  
1 1 1 35 9  12 o 7.38131  0.0853244 54.4967      1.25961  55.8602      1.79583  53.1763      1.76723  7.4722   0.120168  7.29046  0.121201  
1 1 1 35 9  13 o 21.7778  0.158487  474.725      6.903    468.764      9.6697   480.92       9.85766  21.6303  0.223522  21.9087  0.224971  
1 1 1 35 9  14 o 5.44586  0.0788918 29.6656      0.859267 28.8199      1.21228  30.5194      1.21812  5.36687  0.112941  5.52292  0.110278  
1 1 1 35 9  15 o 11.997   0.101754  144.003      2.44147  140.993      3.46034  146.987      3.44523  11.8676  0.145789  12.1176  0.142158  
1 1 1 35 9  16 o 15.8886  0.123917  252.671      3.93774  252.701      5.68738  252.643      5.45734  15.8819  0.179052  15.8813  0.171817  
1 1 1 35 9  17 o 7.89895  0.0847321 62.4228      1.33859  61.8361      1.84457  63.0754      1.94557  7.86001  0.117339  7.93805  0.122547  
1 1 1 35 9  18 o 8.50477  0.0864316 72.3724      1.47016  73.2914      1.98     71.2433      2.19479  8.5566   0.1157    8.43505  0.130099  
1 1 1 35 9  19 o 5.97164  0.0793227 35.6817      0.947374 36.1846      1.31956  35.1468      1.36098  6.01195  0.109745  5.92479  0.114855  
1 1 1 35 9  20 o 3.86541  0.094997  14.9562      0.734404 14.8723      1.0185   15.047       1.05995  3.85277  0.132178  3.87507  0.136765  
1 1 1 35 9  21 o 14.0185  0.110433  196.822      3.09622  194.991      4.34489  198.711      4.41335  13.9424  0.155815  14.0745  0.156785  
1 1 1 35 9  22 o 3.37242  0.109665  11.3931      0.739675 11.8134      1.01969  10.9263      1.07459  3.43152  0.148577  3.29908  0.162861  
1 1 1 35 9  23 o 2.39759  0.140351  5.76753      0.673009 6.0773       0.938599 5.43974      0.965529 2.45761  0.190958  2.32381  0.207747  
1 1 1 35 9  24 o 4.02185  0.101841  16.2082      0.819179 15.5476      1.15526  16.8762      1.16175  3.93476  0.146802  4.10001  0.141677  
1 1 1 35 9  25 o 5.86794  0.0883743 34.4914      1.03715  33.8798      1.44843  35.1351      1.48579  5.81086  0.124631  5.91738  0.125544  
1 1 1 35 9  26 o 3.47298  0.116509  12.104       0.809268 11.9997      1.09668  12.2288      1.19913  3.45285  0.158808  3.4837   0.172106  
1 1 1 35 9  27 o 0.750962 0.308227  0.213419     0.741359 -0.224682    1.04554  0.656417     1.05137  0.783616 0.344897  0.9706   0.377259  
1 1 1 35 9  28 o 4.06397  0.121156  16.5992      0.98475  16.4567      1.45687  16.7192      1.33623  4.03391  0.180578  4.06992  0.164159  
1 1 1 35 9  29 f 0.846742 0.327981  0.503703     0.793222 0.269796     1.1646   0.706118     1.08337  0.91563  0.382017  0.986827 0.383083  
1 1 1 35 9  30 o 0.823793 0.332326  0.357756     0.844962 -1.01131     1.13467  2.06211      1.26601  0.697823 0.326652  1.37716  0.420817  
1 1 1 35 9  31 o 0.584982 0.273482  -0.702006    0.790986 -1.286       1.07423  -0.0104133   1.16902  0.637823 0.304393  0.855512 0.370571  
1 1 1 35 9  32 o 0.707741 0.310654  -0.123343    0.843515 0.97644      1.22921  -1.10216     1.15964  1.0689   0.409615  0.689911 0.324376  
1 1 1 35 9  33 o 1.12828  0.343496  1.39292      0.844549 2.03151      1.2189   0.803257     1.17127  1.33951  0.413649  1.01021  0.396974  
1 1 1 35 9  34 o 2.97397  0.156727  9.00826      0.932201 9.0033       1.31066  9.01333      1.32614  2.94611  0.22244   2.94651  0.225035  
1 1 1 35 9  35 o 0.608908 0.286251  -0.830634    0.902462 0.148147     1.24643  -1.9091      1.30837  0.884462 0.382872  0.654433 0.317658  
1 1 1 35 9  36 o 0.58251  0.277855  -0.969743    0.892172 -1.01163     1.24547  -0.925598    1.27863  0.712553 0.335354  0.733263 0.343868  
1 1 1 35 9  37 o 2.06862  0.231675  4.56593      0.958494 5.1309       1.29669  3.8854       1.42314  2.14603  0.302114  1.76818  0.410055  
1 1 1 35 9  38 o 1.21006  0.355312  1.80839      0.91575  3.73156      1.29049  -0.142292    1.29969  1.7244   0.384153  0.812646 0.368926  
1 1 1 35 9  39 o 1.33682  0.35942   2.30327      0.981903 0.866081     1.34504  3.94309      1.43673  0.956577 0.405376  1.69178  0.424859  
1 1 1 35 9  40 o 0.917776 0.373363  1.01929      1.07816  -0.489787    1.53856  2.47538      1.51131  0.774215 0.367518  1.21867  0.457712  
1 1 1 35 9  41 o 0.614807 0.298712  -1.07048     1.16184  1.09777      1.72727  -2.86213     1.57012  0.936831 0.425303  0.599305 0.300651  
1 1 1 35 9  42 o 0.564851 0.280604  -1.50935     1.22149  -2.29765     1.63347  -0.50934     1.83978  0.602961 0.303398  0.728971 0.35906   
1 1 1 35 9  43 o 0.669328 0.321007  0.223331     1.2326   2.22392      1.77248  -1.65018     1.71526  0.852174 0.400772  0.602643 0.303941  
1 1 1 35 10 0  o 8.73968  0.097304  76.4182      1.70034  76.4182      1.70034  76.4182      1.70034  8.74071  0.0687866 ?        ?         
1 1 1 35 10 1  o 27.6282  0.187884  763.896      10.3818  758.402      14.9054  769.073      14.4685  27.5174  0.270837  27.7118  0.261053  
1 1 1 35 10 2  o 16.8539  0.120185  284.142      4.05116  284.118      5.60007  284.169      5.86769  16.8508  0.166167  16.8518  0.174097  
1 1 1 35 10 3  o 1.78394  0.125923  3.18354      0.449277 2.14214      0.630139 4.26027      0.640741 1.46287  0.215378  2.0635   0.155256  
1 1 1 35 10 4  o 13.4956  0.10125   182.172      2.73287  184.416      3.8264   179.834      3.9045   13.577   0.140915  13.4071  0.145613  
1 1 1 35 10 5  o 9.63602  0.0788336 92.8658      1.51928  90.4583      2.11519  95.4316      2.18363  9.50962  0.111213  9.76753  0.11178   
1 1 1 35 10 6  o 3.3574   0.0801575 11.2738      0.538241 11.2697      0.767454 11.2777      0.755073 3.35653  0.114323  3.35774  0.112438  
1 1 1 35 10 7  o 7.51766  0.0798178 56.524       1.20009  56.1747      1.7627   56.8257      1.63846  7.4937   0.117612  7.53719  0.108692  
1 1 1 35 10 8  o 11.4444  0.0894813 131.001      2.04811  130.034      2.85408  132.027      2.9408   11.4009  0.125169  11.4879  0.127996  
1 1 1 35 10 9  o 10.4388  0.0829609 108.988      1.73202  108.222      2.53432  109.659      2.37256  10.4009  0.121832  10.47    0.113303  
1 1 1 35 10 10 o 14.7015  0.114267  216.217      3.35978  211.826      4.6974   220.817      4.80741  14.5487  0.161438  14.8542  0.16182   
1 1 1 35 10 11 o 9.6002   0.0842019 92.1845      1.61671  93.9766      2.39388  90.6818      2.19216  9.6918   0.1235    9.52069  0.115126  
1 1 1 35 10 12 o 7.21947  0.0818972 52.1333      1.18251  53.8603      1.65668  50.3394      1.68841  7.33727  0.112895  7.09321  0.119016  
1 1 1 35 10 13 o 3.97219  0.0917103 15.7839      0.728581 16.9817      1.00201  14.4401      1.06128  4.11959  0.121616  3.79843  0.139699  
1 1 1 35 10 14 f 3.07211  0.112523  9.44362      0.69137  9.65892      1.00087  9.24713      0.956155 3.10594  0.161121  3.0391   0.157309  
1 1 1 35 10 15 o 8.61102  0.0885191 74.1813      1.52448  74.9422      2.21155  73.4923      2.10432  8.65309  0.127789  8.56927  0.122783  
1 1 1 35 10 16 o 6.55545  0.0803339 42.9909      1.05325  41.4881      1.50133  44.4473      1.47798  6.43842  0.116592  6.66435  0.110887  
1 1 1 35 10 17 o 14.5919  0.112778  213.114      3.29129  211.19       4.61437  215.107      4.69588  14.5193  0.158904  14.6531  0.160234  
1 1 1 35 10 18 o 4.23359  0.0873922 17.9348      0.739966 17.7524      1.02565  18.1327      1.06861  4.21073  0.12179   4.25543  0.125559  
1 1 1 35 10 19 o 9.93777  0.0872892 98.8372      1.73492  98.3161      2.40354  99.404       2.50681  9.90796  0.121293  9.96205  0.125818  
1 1 1 35 10 20 o 5.35415  0.08238   28.6892      0.88215  29.4986      1.23681  27.8512      1.25857  5.4272   0.113945  5.27309  0.119339  
1 1 1 35 10 21 o 5.4742   0.0847194 29.9961      0.927542 28.9615      1.24285  31.2968      1.39353  5.37671  0.115577  5.58845  0.12468   
1 1 1 35 10 22 o 2.70446  0.128143  7.33238      0.693114 8.2364       0.968527 6.38338      0.992328 2.86361  0.16911   2.51901  0.196968  
1 1 1 35 10 23 o 7.11584  0.0820823 50.6961      1.16817  51.5613      1.59986  49.708       1.70969  7.17262  0.111525  7.04108  0.121408  
1 1 1 35 10 24 o 2.8846   0.127337  8.3483       0.734631 9.14868      1.0075   7.43964      1.07349  3.01619  0.167014  2.71688  0.19756   
1 1 1 35 10 25 o 3.90484  0.104428  15.286       0.815552 15.427       1.12014  15.1269      1.18973  3.91857  0.142928  3.87889  0.15336   
1 1 1 35 10 26 o 4.37609  0.101995  19.2051      0.892676 18.7789      1.22086  19.6947      1.30857  4.32171  0.141247  4.42469  0.147871  
1 1 1 35 10 27 o 3.12881  0.133027  9.84306      0.832429 9.61826      1.18644  10.061       1.16823  3.08365  0.192377  3.15515  0.185131  
1 1 1 35 10 28 o 3.32702  0.137295  11.1445      0.913567 11.7683      1.39879  10.6804      1.20641  3.40451  0.205432  3.24781  0.185727  
1 1 1 35 10 29 o 2.03317  0.200206  4.19698      0.814107 4.77106      1.17512  3.66716      1.12891  2.15381  0.272799  1.88287  0.299786  
1 1 1 35 10 30 o 1.07873  0.348888  1.20591      0.857045 1.45721      1.18783  0.933025     1.2378   1.19776  0.410847  1.07351  0.411142  
1 1 1 35 10 31 o 1.63614  0.241876  2.75858      0.791485 2.40328      1.08874  3.15682      1.15265  1.47071  0.370148  1.69547  0.351707  
1 1 1 35 10 32 o 0.755876 0.316976  0.169407     0.808262 0.0347275    1.16228  0.295529     1.12475  0.855744 0.370071  0.892943 0.374163  
1 1 1 35 10 33 o 2.95076  0.152887  8.84582      0.902268 8.82057      1.2802   8.87075      1.27184  2.9225   0.219025  2.93169  0.216912  
1 1 1 35 10 34 o 2.91926  0.15863   8.68535      0.926165 8.91848      1.29552  8.44166      1.32456  2.93234  0.220901  2.84733  0.232596  
1 1 1 35 10 35 o 2.22476  0.209986  5.14148      0.934338 4.48831      1.28512  5.87389      1.36084  2.03107  0.316365  2.33811  0.291011  
1 1 1 35 10 36 o 1.89615  0.244936  3.83512      0.92887  3.98583      1.29982  3.67785      1.32787  1.84263  0.365706  1.75015  0.389527  
1 1 1 35 10 37 o 2.72938  0.183076  7.77109      0.999367 7.30652      1.36606  8.30601      1.46584  2.58908  0.263812  2.7589   0.265657  
1 1 1 35 10 38 o 1.21032  0.35581   1.82559      0.91779  3.30064      1.27121  0.219573     1.32645  1.59498  0.399087  0.866013 0.383948  
1 1 1 35 10 39 o 0.725688 0.323406  0.0339329    0.954699 0.955143     1.34306  -0.906986    1.35735  0.968078 0.407402  0.718253 0.342631  
1 1 1 35 10 40 f 0.97258  0.38122   1.29606      1.07822  0.344699     1.53627  2.21962      1.51366  0.854943 0.392338  1.14886  0.451338  
1 1 1 35 10 41 o 1.04935  0.404761  1.85004      1.20543  0.243307     1.8367   3.06576      1.59766  0.838278 0.399573  1.23706  0.469037  
1 1 1 35 10 42 o 0.593063 0.292088  -1.19101     1.2433   -0.572896    1.64801  -2.00755     1.89414  0.705602 0.345638  0.658569 0.330313  
1 1 1 35 11 0  o 1.52258  0.242277  2.48964      0.681622 2.48964      0.681622 2.48964      0.681622 1.55373  0.158914  ?        ?         
1 1 1 35 11 1  f 14.3305  0.104139  205.411      2.98471  205.766      4.32205  205.088      4.12675  14.3409  0.150689  14.3176  0.144114  
1 1 1 35 11 2  o 8.7336   0.0737033 76.2849      1.28739  75.9175      1.86015  76.6227      1.78356  8.71196  0.106758  8.75243  0.101889  
1 1 1 35 11 3  o 1.724    0.13577   2.9734       0.468135 2.27643      0.668982 3.64218      0.655315 1.50794  0.22182   1.90781  0.171745  
1 1 1 35 11 4  o 11.0686  0.0901017 122.537      1.9946   119.832      2.81077  125.28       2.83091  10.9447  0.128408  11.1908  0.126484  
1 1 1 35 11 5  o 4.76739  0.0720457 22.7308      0.68694  23.9771      1.04971  21.7973      0.908481 4.89597  0.107201  4.66823  0.0973047 
1 1 1 35 11 6  o 4.31393  0.0703495 18.6123      0.606966 19.0426      0.873986 18.2114      0.843579 4.36323  0.100153  4.26696  0.0988502 
1 1 1 35 11 7  o 8.83193  0.0794581 78.0159      1.40354  76.7974      2.05311  79.0849      1.92307  8.76184  0.117162  8.8916   0.10814   
1 1 1 35 11 8  o 10.3462  0.084622  107.064      1.75103  108.185      2.59803  106.131      2.37026  10.399   0.124918  10.3001  0.11506   
1 1 1 35 11 9  o 10.6176  0.0860082 112.758      1.8264   113.134      2.71659  112.448      2.46723  10.6339  0.127733  10.602   0.116356  
1 1 1 35 11 10 o 6.5405   0.0799478 42.7867      1.0458   45.2424      1.58941  40.9119      1.38878  6.72478  0.118175  6.39506  0.108582  
1 1 1 35 11 11 o 6.87118  0.0799051 47.2236      1.09809  48.5143      1.56364  45.9677      1.54243  6.96369  0.112271  6.77842  0.113775  
1 1 1 35 11 12 o 4.43244  0.0820252 19.6518      0.727143 19.689       1.0189   19.6132      1.03804  4.43604  0.114843  4.42745  0.117228  
1 1 1 35 11 13 o 4.05963  0.0842683 16.486       0.684196 16.1557      0.970813 16.8119      0.964416 4.01805  0.120806  4.09892  0.117643  
1 1 1 35 11 14 o 2.68153  0.129911  7.19688      0.696718 7.87542      0.986229 6.52087      0.984389 2.80408  0.175856  2.55115  0.192931  
1 1 1 35 11 15 o 7.51426  0.0820114 56.4862      1.23251  57.3168      1.80281  55.7574      1.68883  7.56766  0.119113  7.46431  0.113127  
1 1 1 35 11 16 o 5.5808   0.0782372 31.1579      0.873253 31.3446      1.25752  30.984       1.21359  5.59628  0.112353  5.56412  0.109055  
1 1 1 35 11 17 o 2.44825  0.134927  6.00224      0.66067  4.87166      0.923766 7.18605      0.945262 2.20346  0.209617  2.67747  0.176521  
1 1 1 35 11 18 o 3.33264  0.103969  11.1176      0.692979 11.1408      0.980188 11.0945      0.979852 3.33444  0.146979  3.32749  0.147236  
1 1 1 35 11 19 o 12.1193  0.096427  147.027      2.33726  150.508      3.368    143.792      3.24615  12.2557  0.137406  11.9795  0.135488  
1 1 1 35 11 20 o 4.5739   0.0897116 20.9412      0.820663 20.8834      1.12033  21.0082      1.20554  4.5656   0.122692  4.57858  0.13165   
1 1 1 35 11 21 o 5.40823  0.0828961 29.2775      0.896643 29.0673      1.19451  29.5489      1.35708  5.38668  0.110876  5.42984  0.124965  
1 1 1 35 11 22 o 4.18344  0.0918519 17.5251      0.768514 17.9862      1.05134  16.996       1.12621  4.23568  0.124105  4.11632  0.136798  
1 1 1 35 11 23 o 4.30529  0.0947038 18.5668      0.815455 18.4794      1.12221  18.6646      1.18696  4.29186  0.130738  4.31257  0.137617  
1 1 1 35 11 24 o 2.37     0.148229  5.64278      0.702605 5.23258      0.942943 6.15479      1.05349  2.27734  0.207027  2.46921  0.213325  
1 1 1 35 11 25 o 2.24679  0.158997  5.07914      0.714465 4.4715       0.9697   5.80071      1.05671  2.10104  0.230767  2.39434  0.220669  
1 1 1 35 11 26 o 7.42299  0.0898079 55.2278      1.33329  56.1538      1.91728  54.3607      1.85534  7.47617  0.128226  7.35639  0.126104  
1 1 1 35 11 27 o 3.40666  0.123852  11.6626      0.843843 11.387       1.17944  11.9517      1.20782  3.35759  0.175638  3.43985  0.175563  
1 1 1 35 11 28 o 2.07124  0.199119  4.35111      0.824844 3.58416      1.15275  5.1558       1.18077  1.86115  0.309686  2.24268  0.263249  
1 1 1 35 11 29 o 1.61951  0.253598  2.68962      0.821408 3.36685      1.20334  2.09874      1.12401  1.76408  0.353537  1.38608  0.38944   
1 1 1 35 11 30 o 2.06572  0.211692  4.36         0.87459  4.65993      1.25786  4.0793       1.21687  2.11402  0.297504  1.97502  0.308066  
1 1 1 35 11 31 o 3.31421  0.138776  11.1005      0.919867 11.4973      1.22601  10.5895      1.3914   3.35997  0.182444  3.21274  0.216545  
1 1 1 35 11 32 o 0.821477 0.329695  0.410833     0.825621 1.44777      1.19094  -0.548634    1.14559  1.17811  0.410677  0.755259 0.343801  
1 1 1 35 11 33 o 3.38861  0.137812  11.6399      0.933983 10.293       1.31364  13.0168      1.32819  3.15956  0.207882  3.56366  0.186352  
1 1 1 35 11 34 o 0.684345 0.305734  -0.242826    0.857927 1.10722      1.21811  -1.57171     1.20853  1.08171  0.409723  0.652284 0.314047  
1 1 1 35 11 35 o 2.63837  0.180854  7.16499      0.95432  7.70444      1.33285  6.59753      1.36703  2.70285  0.246563  2.48551  0.274999  
1 1 1 35 11 36 o 1.77281  0.265591  3.40124      0.941685 2.16498      1.27675  4.87609      1.39452  1.32007  0.425719  2.07584  0.335893  
1 1 1 35 11 37 o 1.02423  0.36156   1.19521      0.925617 1.62881      1.31141  0.764769     1.30664  1.16119  0.428292  0.974899 0.40556   
1 1 1 35 11 38 o 1.30772  0.352328  2.14857      0.942318 1.15081      1.2941   3.27471      1.37484  1.01757  0.410953  1.54586  0.429533  
1 1 1 35 11 39 o 0.672606 0.308151  -0.25176     0.943347 -0.211511    1.29115  -0.297848    1.38163  0.774444 0.357138  0.785063 0.364851  
1 1 1 35 11 40 o 0.803064 0.352845  0.502462     1.09041  -0.35335     1.63169  1.19308      1.46578  0.788819 0.376144  0.95457  0.414235  
1 1 1 35 11 41 o 0.808666 0.358636  0.761908     1.15855  -1.06205     1.69498  2.36125      1.58719  0.701423 0.345504  1.06032  0.444395  
1 1 1 35 11 42 o 0.607178 0.296831  -0.889125    1.19964  -0.577722    1.6313   -1.25587     1.77032  0.704121 0.34467   0.680553 0.338044  
1 1 1 35 12 0  o 31.3645  0.308363  985.107      19.3391  985.107      19.3391  985.107      19.3391  31.3754  0.217946  ?        ?         
1 1 1 35 12 1  o 13.22    0.0983884 174.807      2.60139  171.951      3.67335  177.681      3.6845   13.11    0.140097  13.3267  0.138238  
1 1 1 35 12 2  o 16.6008  0.124366  275.688      4.12916  269.342      5.8597   281.948      5.81954  16.4054  0.17859   16.7853  0.173352  
1 1 1 35 12 3  o 23.0806  0.165644  533.065      7.64632  535.489      11.1316  530.9        10.5212  23.1244  0.24069   23.0267  0.228457  
1 1 1 35 12 4  o 4.88711  0.0703791 23.8867      0.6879   24.1182      0.975573 23.6578      0.970126 4.91043  0.0993368 4.86333  0.0997389 
1 1 1 35 12 5  o 2.13753  0.115351  4.57059      0.493133 4.77673      0.729079 4.39675      0.669514 2.18479  0.166853  2.09616  0.1597    
1 1 1 35 12 6  o 18.2633  0.134945  333.71       4.9291   326.955      7.13318  339.883      6.81904  18.0725  0.197349  18.4275  0.185023  
1 1 1 35 12 7  o 4.18565  0.0698635 17.5221      0.584849 18.0001      0.830286 17.0513      0.823952 4.24208  0.0978631 4.12875  0.0997823 
1 1 1 35 12 8  o 16.7366  0.123467  280.237      4.13284  278.096      6.10071  282.053      5.61845  16.668   0.183007  16.7875  0.16734   
1 1 1 35 12 9  f 8.63977  0.0813028 74.6609      1.40487  78.0474      2.08895  71.8643      1.8983   8.83252  0.118253  8.47563  0.111986  
1 1 1 35 12 10 o 14.9683  0.122024  224.164      3.653    228.303      5.59473  221.088      4.82299  15.1008  0.185246  14.8623  0.162256  
1 1 1 35 12 11 o 8.41049  0.0820648 70.7548      1.38041  69.8913      1.96843  71.5903      1.93635  8.35784  0.11776   8.45894  0.114456  
1 1 1 35 12 12 o 2.3063   0.128305  5.32291      0.591818 4.67543      0.832085 5.98578      0.841916 2.16047  0.192571  2.44495  0.172175  
1 1 1 35 12 13 o 7.36211  0.074108  54.2154      1.09118  53.1312      1.53785  55.3147      1.54854  7.2871   0.105519  7.43538  0.104133  
1 1 1 35 12 14 o 1.94292  0.168155  3.78091      0.653426 3.70482      0.915325 3.85998      0.9331   1.92177  0.238147  1.96161  0.237841  
1 1 1 35 12 15 o 4.22446  0.0899539 17.8551      0.760013 17.8143      1.08667  17.8941      1.06335  4.21849  0.128799  4.22804  0.12575   
1 1 1 35 12 16 o 6.05237  0.0765798 36.6465      0.926979 35.6526      1.2744   37.7632      1.35083  5.96853  0.10676   6.1425   0.109957  
1 1 1 35 12 17 o 4.67514  0.0843933 21.87        0.789101 21.3219      1.08973  22.4742      1.14418  4.61485  0.118068  4.73779  0.12075   
1 1 1 35 12 18 f 1.98945  0.162626  3.9687       0.64707  2.67084      0.881712 5.48357      0.952581 1.62818  0.270766  2.33674  0.203826  
1 1 1 35 12 19 o 1.94125  0.165004  3.78009      0.640628 4.49027      0.892688 3.02596      0.919894 2.11366  0.211171  1.73259  0.265468  
1 1 1 35 12 20 o 1.99854  0.166172  4.00878      0.664204 3.63944      0.890835 4.47113      0.996707 1.90082  0.234329  2.1067   0.236556  
1 1 1 35 12 21 o 2.88306  0.116823  8.32895      0.673617 9.13268      0.908829 7.34914      1.00346  3.01689  0.150624  2.70393  0.185556  
1 1 1 35 12 22 o 1.20659  0.26539   1.53083      0.623094 1.62336      0.850335 1.42354      0.915662 1.24099  0.334844  1.17591  0.357599  
1 1 1 35 12 23 o 1.53108  0.222754  2.36728      0.68211  2.26121      0.921393 2.4959       1.01463  1.46071  0.32395   1.53321  0.339875  
1 1 1 35 12 24 o 3.06093  0.121065  9.3995       0.741145 8.86551      0.987755 10.0874      1.12115  2.96853  0.166371  3.16523  0.177103  
1 1 1 35 12 25 o 3.26477  0.118926  10.6979      0.776532 10.6545      1.04758  10.7508      1.15691  3.25324  0.161005  3.26563  0.177134  
1 1 1 35 12 26 o 3.14223  0.12532   9.91969      0.787569 10.2647      1.09208  9.54587      1.13685  3.19006  0.171169  3.07414  0.184905  
1 1 1 35 12 27 o 3.60538  0.120137  13.0626      0.866281 13.3732      1.23964  12.7661      1.21107  3.63883  0.170335  3.55529  0.17032   
1 1 1 35 12 28 o 2.05489  0.195474  4.28037      0.803356 4.78052      1.13704  3.78185      1.13519  2.15951  0.263264  1.91446  0.296478  
1 1 1 35 12 29 o 5.17715  0.107659  26.9274      1.11474  25.9433      1.61972  27.8131      1.53652  5.06735  0.159819  5.25113  0.146303  
1 1 1 35 12 30 f 4.86168  0.11248   23.786       1.09369  23.1116      1.60662  24.3684      1.49303  4.77379  0.168275  4.90814  0.152098  
1 1 1 35 12 31 o 3.9531   0.123908  15.7646      0.979641 15.048       1.29423  16.726       1.49908  3.84797  0.168171  4.05001  0.185071  
1 1 1 35 12 32 o 2.2367   0.193044  5.12102      0.863563 5.10858      1.23103  5.13308      1.21172  2.20592  0.279029  2.21317  0.273752  
1 1 1 35 12 33 f 2.29261  0.190113  5.39797      0.871706 5.58284      1.23851  5.21649      1.22712  2.30155  0.26906   2.22171  0.276166  
1 1 1 35 12 34 o 0.662417 0.301497  -0.417898    0.880342 -0.402232    1.24702  -0.433463    1.24298  0.801724 0.362911  0.795909 0.361183  
1 1 1 35 12 35 o 1.15687  0.348     1.53159      0.870322 1.62629      1.22838  1.43614      1.23327  1.1949   0.417029  1.14673  0.416076  
1 1 1 35 12 36 o 2.92542  0.168945  8.85559      0.988472 9.1249       1.36999  8.56314      1.42761  2.92512  0.234176  2.81882  0.253229  
1 1 1 35 12 37 o 2.80341  0.172466  8.19196      0.966987 10.1665      1.35595  6.14854      1.37941  3.08423  0.219819  2.33917  0.29485   
1 1 1 35 12 38 o 1.54376  0.318982  2.88455      0.951333 2.57143      1.33088  3.21171      1.36038  1.34864  0.434622  1.5193   0.428941  
1 1 1 35 12 39 o 1.21168  0.363683  1.97806      0.951237 3.57002      1.27016  -0.055203    1.43545  1.60555  0.397221  0.814592 0.376     
1 1 1 35 12 40 o 1.46407  0.37703   3.07543      1.11043  2.02038      1.58254  4.09868      1.5585   1.08626  0.448757  1.55392  0.465333  
1 1 1 35 12 41 o 0.758799 0.34214   0.534255     1.09768  0.336065     1.67124  0.684618     1.45569  0.794065 0.379127  0.81261  0.37644   
1 1 1 35 12 42 o 0.658625 0.315512  -0.199406    1.18222  1.77148      1.62042  -2.44234     1.72864  0.904125 0.410849  0.606443 0.305851  
1 1 1 35 13 0  o 10.9019  0.124776  118.922      2.71979  118.922      2.71979  118.922      2.71979  10.9035  0.088204  ?        ?         
1 1 1 35 13 1  o 2.48898  0.109741  6.19687      0.546284 6.14929      0.771237 6.24479      0.773894 2.47902  0.155553  2.4982   0.15489   
1 1 1 35 13 2  o 2.62889  0.10213   6.9129       0.536977 6.51368      0.74456  7.34562      0.775163 2.5515   0.145906  2.70958  0.143041  
1 1 1 35 13 3  o 1.13631  0.220199  1.33673      0.482567 1.30763      0.679946 1.36626      0.684988 1.12241  0.297883  1.14607  0.296621  
1 1 1 35 13 4  o 11.7688  0.0951489 138.538      2.23958  135.485      3.16528  141.599      3.16922  11.637   0.136001  11.8967  0.133197  
1 1 1 35 13 5  o 13.9775  0.102799  195.428      2.87376  190.854      4.07766  199.941      4.05068  13.8109  0.147625  14.1361  0.143275  
1 1 1 35 13 6  o 8.50736  0.0769647 72.3872      1.30953  68.7446      1.9143   75.5911      1.79533  8.28966  0.115463  8.693    0.103263  
1 1 1 35 13 7  o 6.82823  0.0735876 46.6323      1.00495  47.9119      1.43742  45.4088      1.40553  6.92073  0.103849  6.73751  0.104307  
1 1 1 35 13 8  o 20.396   0.151872  416.297      6.19516  415.764      8.76826  416.828      8.75431  20.3755  0.215167  20.4016  0.214549  
1 1 1 35 13 9  o 11.9451  0.10156   142.736      2.4263   142.803      3.3622   142.663      3.50485  11.946   0.140725  11.9398  0.146772  
1 1 1 35 13 10 o 5.628    0.0756479 31.6813      0.851493 31.1522      1.23994  32.1535      1.17137  5.58009  0.111104  5.66924  0.103309  
1 1 1 35 13 11 o 2.3778   0.122602  5.65767      0.583048 5.37485      0.835406 5.92627      0.814115 2.3167   0.180301  2.43288  0.167315  
1 1 1 35 13 12 o 7.34578  0.0733711 53.9746      1.07794  55.9267      1.61009  52.3889      1.45113  7.47631  0.107679  7.23625  0.100268  
1 1 1 35 13 13 o 2.91839  0.111088  8.52269      0.648398 9.24802      0.920261 7.80764      0.913721 3.03919  0.151399  2.79221  0.16362   
1 1 1 35 13 14 o 7.90889  0.0777581 62.5732      1.22996  60.7613      1.71774  64.4796      1.76196  7.79211  0.110223  8.02702  0.109752  
1 1 1 35 13 15 o 2.17995  0.150758  4.75944      0.657289 5.15792      0.945873 4.38733      0.914038 2.26775  0.208549  2.0912   0.218544  
1 1 1 35 13 16 o 5.03967  0.0801443 25.4109      0.807801 25.5543      1.15974  25.2757      1.12583  5.05253  0.114768  5.02503  0.112022  
1 1 1 35 13 17 o 8.21081  0.0794895 67.4573      1.30535  66.6407      1.83221  68.299       1.86019  8.15857  0.112287  8.25943  0.11261   
1 1 1 35 13 18 o 4.90545  0.0844637 24.082       0.828664 23.3645      1.14103  24.8827      1.20543  4.83005  0.118118  4.98433  0.120922  
1 1 1 35 13 19 o 6.34178  0.0806897 40.2501      1.02343  41.4839      1.42276  38.9271      1.47327  6.436    0.110531  6.23385  0.118167  
1 1 1 35 13 20 f 7.92801  0.0811408 62.9114      1.28657  63.517       1.7409   62.1826      1.90978  7.96306  0.109311  7.87745  0.121218  
1 1 1 35 13 21 o 5.52583  0.0802546 30.5659      0.886947 30.8232      1.22752  30.2849      1.28299  5.54644  0.110658  5.49719  0.116695  
1 1 1 35 13 22 o 0.813736 0.295828  0.553261     0.623703 1.33334      0.872036 -0.263709    0.892417 1.13969  0.349459  0.716469 0.316632  
1 1 1 35 13 23 o 4.10603  0.0953691 16.891       0.783176 17.2499      1.0529   16.4464      1.17177  4.14648  0.126963  4.04676  0.144778  
1 1 1 35 13 24 o 2.17591  0.157456  4.76194      0.68522  4.40858      0.935459 5.17104      1.00653  2.0875   0.224062  2.26099  0.222587  
1 1 1 35 13 25 o 2.45167  0.150472  6.04836      0.737812 6.43445      1.02314  5.63005      1.06496  2.52242  0.202809  2.35632  0.225981  
1 1 1 35 13 26 o 5.37114  0.0908687 28.923       0.976137 29.5485      1.3525   28.2429      1.41024  5.42274  0.124706  5.29983  0.133046  
1 1 1 35 13 27 f 2.71353  0.153108  7.42562      0.830924 6.21796      1.18292  8.60189      1.16744  2.46798  0.239653  2.91173  0.200473  
1 1 1 35 13 28 o 5.23915  0.0996195 27.5516      1.04384  27.4476      1.45259  27.6627      1.50104  5.21991  0.139139  5.23917  0.143252  
1 1 1 35 13 29 o 1.69392  0.252881  2.94688      0.856723 2.25538      1.21867  3.62252      1.20463  1.4306   0.406659  1.83256  0.341399  
1 1 1 35 13 30 o 2.2462   0.189199  5.13748      0.849958 5.64479      1.19141  4.61169      1.21292  2.33744  0.254854  2.10331  0.288335  
1 1 1 35 13 31 o 1.07488  0.342682  1.23083      0.828999 0.847573     1.10885  1.7165       1.24825  1.01131  0.38861   1.25972  0.421204  
1 1 1 35 13 32 o 1.17529  0.343026  1.52638      0.856019 2.92268      1.23387  0.230681     1.18859  1.6019   0.388557  0.895481 0.380351  
1 1 1 35 13 33 o 1.84509  0.2354    3.54682      0.868666 3.43222      1.23194  3.66015      1.22505  1.74043  0.365537  1.80684  0.351548  
1 1 1 35 13 34 o 0.645056 0.296437  -0.514839    0.88045  -1.09344     1.24306  0.0676605    1.24724  0.710214 0.33448   0.871041 0.38007   
1 1 1 35 13 35 o 1.35493  0.328118  2.11318      0.880974 2.6627       1.22919  1.53276      1.26328  1.48255  0.403736  1.16622  0.421308  
1 1 1 35 13 36 o 1.81332  0.261246  3.56736      0.947442 4.26853      1.31305  2.80581      1.36843  1.90063  0.358537  1.47961  0.434306  
1 1 1 35 13 37 o 0.872495 0.347962  0.689395     0.912263 1.79128      1.27641  -0.461206    1.30432  1.18408  0.423912  0.77384  0.357656  
1 1 1 35 13 38 o 1.05625  0.36624   1.41483      0.946083 1.62835      1.32997  1.19609      1.3461   1.10898  0.425754  1.01959  0.41638   
1 1 1 35 13 39 o 1.00819  0.373869  1.37047      1.00201  1.0638       1.38272  1.7096       1.45407  0.955405 0.408151  1.07442  0.434911  
1 1 1 35 13 40 o 0.899358 0.371984  1.04294      1.0894   -0.218649    1.50199  2.4433       1.58245  0.772708 0.365061  1.15465  0.458977  
1 1 1 35 13 41 o 0.602735 0.293046  -0.763501    1.12151  -2.40724     1.74408  0.395374     1.46443  0.621162 0.312562  0.770113 0.362793  
1 1 1 35 13 42 o 0.818495 0.367112  1.25099      1.24783  1.43816      1.70191  1.03341      1.83498  0.82312  0.388746  0.788087 0.381069  
1 1 1 35 14 0  o 6.53994  0.0962246 42.8039      1.25799  42.8039      1.25799  42.8039      1.25799  6.5412   0.0680113 ?        ?         
1 1 1 35 14 1  o 4.33171  0.0753691 18.7666      0.652955 18.0745      0.876664 19.6289      0.978549 4.2508   0.103118  4.42972  0.110453  
1 1 1 35 14 2  o 1.74679  0.158827  3.05336      0.554874 2.90431      0.838552 3.16946      0.740065 1.7028   0.246227  1.77925  0.207971  
1 1 1 35 14 3  o 4.45927  0.0766334 19.8883      0.683458 20.0759      0.886496 19.6133      1.07314  4.48001  0.0989391 4.4278   0.121182  
1 1 1 35 14 4  o 17.8914  0.129232  320.252      4.62428  322.372      6.65426  318.273      6.43091  17.946   0.185397  17.832   0.18032   
1 1 1 35 14 5  o 10.6018  0.0852208 112.421      1.80698  107.902      2.53419  117.096      2.57727  10.3853  0.122008  10.8188  0.11911   
1 1 1 35 14 6  o 16.4311  0.129738  270.117      4.26347  266.203      6.03499  274.017      6.02393  16.3073  0.18504   16.5451  0.182045  
1 1 1 35 14 7  o 19.839   0.150189  393.867      5.95918  395.64       8.38825  392.061      8.46742  19.8766  0.211008  19.7861  0.213974  
1 1 1 35 14 8  f 5.15513  0.0830872 26.5817      0.856651 24.5409      1.24759  28.4022      1.17835  4.95252  0.125955  5.32825  0.110575  
1 1 1 35 14 9  f 7.58613  0.0796203 57.5633      1.20802  59.3461      1.77281  56.0179      1.65053  7.70168  0.115093  7.48276  0.110289  
1 1 1 35 14 10 o 7.12706  0.0800542 50.8091      1.1411   52.1889      1.7079   49.6966      1.53365  7.22197  0.118243  7.04775  0.108805  
1 1 1 35 14 11 o 5.17049  0.0726444 26.7407      0.751214 27.1511      1.10018  26.3822      1.02822  5.20928  0.105598  5.13513  0.100116  
1 1 1 35 14 12 o 3.1426   0.098949  9.88102      0.621914 9.43489      0.918453 10.2588      0.845151 3.06983  0.149593  3.20147  0.131994  
1 1 1 35 14 13 o 6.67054  0.0780767 44.5119      1.04163  45.7095      1.52531  43.4653      1.42588  6.75838  0.112846  6.59058  0.108176  
1 1 1 35 14 14 o 14.9414  0.112229  223.426      3.35372  224.142      4.7861   222.735      4.70079  14.9589  0.159975  14.9122  0.157615  
1 1 1 35 14 15 o 9.74608  0.0851995 95.0366      1.66072  96.1206      2.34977  93.9548      2.34747  9.79889  0.1199    9.68776  0.121157  
1 1 1 35 14 16 o 4.53202  0.0821855 20.5511      0.744933 19.9796      1.03633  21.1622      1.07154  4.46726  0.115992  4.59754  0.116534  
1 1 1 35 14 17 o 9.68719  0.0826963 93.9084      1.60219  91.2964      2.22109  96.7419      2.31341  9.54827  0.116309  9.82874  0.117686  
1 1 1 35 14 18 o 4.732    0.0853986 22.4104      0.808213 21.6755      1.10362  23.2604      1.18688  4.65196  0.118619  4.81874  0.123153  
1 1 1 35 14 19 o 7.277    0.081507  53.001       1.18625  53.2129      1.61668  52.7539      1.746    7.28881  0.110902  7.25627  0.120309  
1 1 1 35 14 20 o 3.36298  0.10676   11.3287      0.718065 12.5021      0.950045 9.76509      1.09666  3.53108  0.134526  3.11774  0.175873  
1 1 1 35 14 21 o 1.72471  0.184226  2.99175      0.635473 2.97802      0.877744 3.00687      0.921219 1.71613  0.255733  1.72355  0.267245  
1 1 1 35 14 22 o 5.84504  0.0807903 34.2078      0.944444 33.6471      1.30898  34.8167      1.36401  5.79343  0.112971  5.89291  0.115733  
1 1 1 35 14 23 o 1.43594  0.230285  2.08531      0.661354 2.97883      0.888943 0.977646     0.989747 1.71375  0.259356  1.04648  0.373424  
1 1 1 35 14 24 o 3.80261  0.103413  14.4984      0.786478 14.773       1.07233  14.1787      1.15699  3.83427  0.139835  3.7544   0.154084  
1 1 1 35 14 25 o 4.0506   0.101939  16.4566      0.825827 18.0327      1.19159  14.9999      1.14556  4.2345   0.1407    3.86081  0.148358  
1 1 1 35 14 26 o 2.35999  0.155799  5.61339      0.735367 4.7911       1.00702  6.55282      1.07637  2.16972  0.232063  2.54117  0.211786  
1 1 1 35 14 27 f 3.57694  0.124816  12.8661      0.892922 12.5977      1.23487  13.1602      1.29268  3.52983  0.174919  3.60679  0.1792    
1 1 1 35 14 28 o 3.97299  0.11543   15.8679      0.917208 17.3195      1.31465  14.4911      1.28029  4.14106  0.158734  3.78534  0.169111  
1 1 1 35 14 29 o 5.12212  0.105301  26.3741      1.07873  26.2212      1.49035  26.5422      1.56338  5.09498  0.146257  5.12381  0.15256   
1 1 1 35 14 30 o 1.83234  0.219718  3.44517      0.805195 3.6847       1.11082  3.17998      1.16883  1.87542  0.296153  1.69827  0.355583  
1 1 1 35 14 31 f 1.22978  0.334744  1.66951      0.845232 1.56146      1.14018  1.80133      1.25936  1.20538  0.402558  1.28164  0.423074  
1 1 1 35 14 32 o 2.75282  0.164873  7.72195      0.90773  7.89059      1.26939  7.54548      1.29855  2.7585   0.230087  2.6928   0.241116  
1 1 1 35 14 33 o 2.63777  0.177474  7.12525      0.936274 8.53647      1.37974  5.92077      1.27468  2.85875  0.241318  2.36856  0.269083  
1 1 1 35 14 34 o 3.51677  0.1406    12.583       0.988917 11.6902      1.37148  13.5499      1.42727  3.35793  0.204215  3.61952  0.197163  
1 1 1 35 14 35 o 2.41097  0.192472  6.05354      0.928089 6.8824       1.27743  5.12694      1.35066  2.53459  0.252     2.14818  0.314373  
1 1 1 35 14 36 o 0.709565 0.313991  -0.0596865   0.881485 -0.37551     1.23791  0.265167     1.25549  0.777198 0.354786  0.878564 0.382343  
1 1 1 35 14 37 o 0.93921  0.353041  0.963923     0.899485 0.722022     1.23641  1.23589      1.31099  0.934192 0.39191   1.04724  0.417295  
1 1 1 35 14 38 o 1.42791  0.333798  2.54287      0.93713  4.42062      1.34654  0.779095     1.30504  1.85119  0.376778  0.932717 0.397427  
1 1 1 35 14 39 o 0.894052 0.363712  0.954933     1.02314  1.05345      1.38519  0.836659     1.51777  0.941122 0.405459  0.919183 0.408757  
1 1 1 35 14 40 o 1.35973  0.383354  2.77907      1.08733  1.76229      1.54687  3.77213      1.52872  1.02073  0.433738  1.44896  0.465693  
1 1 1 35 14 41 o 0.625576 0.300798  -0.425883    1.09985  -0.97149     1.6569   0.00389589   1.47055  0.678002 0.334701  0.725551 0.348613  
1 1 1 35 14 42 o 0.764444 0.351711  1.05985      1.24341  2.06278      1.74865  0.0341431    1.7684   0.839592 0.395791  0.691055 0.342259  
1 1 1 35 15 0  o 4.29939  0.113072  18.5264      0.970756 18.5264      0.970756 18.5264      0.970756 4.30181  0.0798457 ?        ?         
1 1 1 35 15 1  o 15.1606  0.114638  229.931      3.47597  229.868      4.98219  229.99       4.85193  15.1555  0.164369  15.1598  0.160026  
1 1 1 35 15 2  o 14.2697  0.107206  203.692      3.05959  199.561      4.35079  207.733      4.30341  14.1217  0.154046  14.4083  0.149338  
1 1 1 35 15 3  o 13.1205  0.0989257 172.197      2.59591  170.181      3.59004  174.406      3.75806  13.0417  0.137637  13.2023  0.142326  
1 1 1 35 15 4  o 11.1226  0.0921279 123.745      2.04941  123.116      2.85976  124.409      2.93844  11.093   0.1289    11.1509  0.131758  
1 1 1 35 15 5  o 2.61007  0.1029    6.81472      0.537152 5.93619      0.676365 8.31517      0.883925 2.43569  0.138844  2.88254  0.153324  
1 1 1 35 15 6  o 19.7911  0.149588  391.974      5.92102  392.267      8.51006  391.698      8.24348  19.7907  0.215001  19.7773  0.208408  
1 1 1 35 15 7  o 6.55654  0.079362  42.9978      1.04068  44.0692      1.54043  42.0982      1.4115   6.63688  0.116051  6.48694  0.108795  
1 1 1 35 15 8  o 9.74316  0.0899037 94.959       1.75189  95.3309      2.50925  94.6053      2.44702  9.7606   0.12854   9.72351  0.12583   
1 1 1 35 15 9  f 15.3069  0.126441  234.465      3.87085  234.317      5.56236  234.605      5.39012  15.2963  0.181821  15.3064  0.176074  
1 1 1 35 15 10 o 12.5539  0.0954114 157.668      2.39557  157.517      3.44354  157.809      3.33477  12.545   0.137248  12.557   0.132786  
1 1 1 35 15 11 o 9.33281  0.0799804 87.1302      1.49288  90.6469      2.25539  84.388       1.99164  9.51742  0.118488  9.18351  0.108436  
1 1 1 35 15 12 o 10.372   0.0872197 107.625      1.80928  108.73       2.64284  106.65       2.48214  10.4226  0.126784  10.3229  0.120225  
1 1 1 35 15 13 o 3.24862  0.103819  10.5606      0.674536 9.75851      0.920243 11.4921      0.991629 3.12172  0.147394  3.3877   0.146357  
1 1 1 35 15 14 o 5.99553  0.0838784 35.9641      1.00579  36.7504      1.41995  35.1724      1.42487  6.05925  0.117172  5.92759  0.12019   
1 1 1 35 15 15 o 2.37165  0.123517  5.63162      0.585878 4.76582      0.827271 6.50281      0.829848 2.17989  0.189751  2.54731  0.162887  
1 1 1 35 15 16 o 4.03825  0.0857911 16.3191      0.692892 17.3058      0.968843 15.2861      0.991338 4.1573   0.116523  3.90671  0.126876  
1 1 1 35 15 17 o 2.61111  0.119915  6.82859      0.626224 6.07495      0.859025 7.68335      0.914836 2.46066  0.174552  2.76777  0.165266  
1 1 1 35 15 18 o 2.72496  0.118465  7.43815      0.645624 6.76083      0.892967 8.18003      0.934551 2.59544  0.172026  2.85538  0.163647  
1 1 1 35 15 19 o 7.24158  0.0819577 52.49        1.18701  50.2239      1.57293  55.4876      1.80911  7.08074  0.111071  7.44127  0.121559  
1 1 1 35 15 20 o 5.00735  0.0835175 25.101       0.836403 25.103       1.1279   25.0986      1.24671  5.00526  0.112672  5.00369  0.124578  
1 1 1 35 15 21 o 2.36892  0.135419  5.6304       0.641593 5.60707      0.881871 5.65664      0.935173 2.36045  0.186801  2.37     0.197293  
1 1 1 35 15 22 o 2.48969  0.135796  6.22178      0.676179 6.2289       0.89787  6.21244      1.02776  2.4876   0.180469  2.48175  0.207064  
1 1 1 35 15 23 o 3.26859  0.110804  10.7135      0.724347 10.6386      0.988114 10.8004      1.06496  3.25321  0.151868  3.27662  0.162509  
1 1 1 35 15 24 o 2.15612  0.162197  4.68165      0.699432 6.2872       0.969876 2.94184      1.00961  2.49492  0.19437   1.66796  0.314166  
1 1 1 35 15 25 o 5.75052  0.088683  33.1469      1.01995  32.6402      1.38958  33.7387      1.50179  5.70044  0.121884  5.79388  0.129602  
1 1 1 35 15 26 o 3.07596  0.129835  9.51656      0.798732 9.34314      1.13362  9.68753      1.12558  3.0383   0.186554  3.09471  0.181855  
1 1 1 35 15 27 o 3.84647  0.114363  14.8651      0.879784 15.1899      1.19873  14.4858      1.29528  3.8806   0.154451  3.7859   0.171066  
1 1 1 35 15 28 o 1.08022  0.322641  1.23443      0.749891 0.958358     1.03316  1.5418       1.09015  1.03726  0.380385  1.21352  0.393583  
1 1 1 35 15 29 o 3.5105   0.129749  12.4276      0.910965 12.2019      1.21719  12.715       1.37354  3.46656  0.175561  3.53266  0.194406  
1 1 1 35 15 30 o 2.24031  0.18686   5.11904      0.837246 4.81581      1.194    5.41235      1.17433  2.14743  0.278007  2.28356  0.257127  
1 1 1 35 15 31 o 2.90314  0.157754  8.55949      0.915963 8.85071      1.26916  8.24292      1.32327  2.93186  0.216442  2.82238  0.234424  
1 1 1 35 15 32 o 2.34615  0.19084   5.65352      0.895478 4.2696       1.2314   7.20674      1.30455  1.99721  0.308281  2.62519  0.248468  
1 1 1 35 15 33 o 1.22768  0.343387  1.6993       0.875821 2.75007      1.23439  0.634073     1.24285  1.5372   0.398344  0.980823 0.400244  
1 1 1 35 15 34 o 2.75664  0.166874  7.79383      0.920027 8.49113      1.28968  7.07124      1.31286  2.84749  0.226458  2.58349  0.254087  
1 1 1 35 15 35 o 1.21917  0.360445  1.76548      0.939293 3.27133      1.36554  0.413166     1.29406  1.61961  0.418632  0.921103 0.394215  
1 1 1 35 15 36 o 0.806118 0.334128  0.412276     0.881885 0.628114     1.24     0.19137      1.25447  0.935529 0.392475  0.862356 0.37868   
1 1 1 35 15 37 o 1.2605   0.350942  1.99529      0.916861 2.68149      1.26612  1.2387       1.32947  1.40389  0.41922   1.03885  0.417775  
1 1 1 35 15 38 o 0.739259 0.323908  0.186424     0.913662 -0.669204    1.27339  1.0943       1.31169  0.716831 0.337871  0.984604 0.407765  
1 1 1 35 15 39 o 0.874298 0.363343  0.895853     1.04714  0.563954     1.45011  1.2575       1.51369  0.863886 0.391183  0.968159 0.420554  
1 1 1 35 15 40 o 0.581786 0.282094  -0.862464    1.02697  -1.32446     1.49073  -0.445148    1.41681  0.654432 0.322332  0.708884 0.340989  
1 1 1 35 15 41 f 1.00901  0.393219  1.90124      1.14376  2.07924      1.79491  1.77955      1.4841   0.955061 0.433571  0.940487 0.412443  
1 1 1 35 16 0  o 2.04936  0.206913  4.32959      0.828256 4.32959      0.828256 4.32959      0.828256 2.06565  0.143348  ?        ?         
1 1 1 35 16 1  o 17.5588  0.130433  308.473      4.58048  309.506      6.41428  307.398      6.54319  17.5837  0.182392  17.5233  0.186699  
1 1 1 35 16 2  o 15.0383  0.115038  226.244      3.45996  226.474      4.89497  226.015      4.89126  15.0428  0.162701  15.0276  0.162743  
1 1 1 35 16 3  o 7.62938  0.0796901 58.2192      1.21597  58.1546      1.71782  58.2842      1.72148  7.62438  0.112653  7.63286  0.112767  
1 1 1 35 16 4  o 9.45802  0.0813671 89.4737      1.53914  90.9311      2.24128  88.1729      2.11736  9.53361  0.117546  9.38808  0.112768  
1 1 1 35 16 5  o 6.6018   0.0803285 43.5935      1.06063  41.9927      1.51407  45.136       1.48622  6.47864  0.116851  6.7169   0.110633  
1 1 1 35 16 6  o 12.2787  0.104378  150.828      2.56326  152.215      3.68221  149.525      3.57037  12.3324  0.14929   12.2232  0.146049  
1 1 1 35 16 7  f 7.48176  0.0835204 55.9924      1.24976  57.9579      1.77082  54.0419      1.76405  7.61091  0.116334  7.34917  0.120017  
1 1 1 35 16 8  o 4.06944  0.0942643 16.5668      0.767205 17.1596      1.13852  16.0737      1.03837  4.14066  0.13748   4.0077   0.129547  
1 1 1 35 16 9  o 10.121   0.087598  102.472      1.77316  102.876      2.49222  102.058      2.52332  10.1391  0.122901  10.0986  0.124934  
1 1 1 35 16 10 o 7.41783  0.0774666 55.0413      1.14927  54.7913      1.67179  55.2653      1.5825   7.39969  0.112964  7.4319   0.106467  
1 1 1 35 16 11 o 8.48884  0.081526  72.0874      1.38412  71.3384      2.05097  72.7138      1.87565  8.44271  0.121464  8.52435  0.110017  
1 1 1 35 16 12 o 0.730348 0.272248  0.404208     0.532699 0.227906     0.728997 0.606208     0.780319 0.757609 0.307419  0.887327 0.329753  
1 1 1 35 16 13 o 1.47277  0.193504  2.17459      0.569975 1.9807       0.804041 2.37045      0.808106 1.37628  0.300413  1.51187  0.277628  
1 1 1 35 16 14 o 3.89448  0.0854639 15.1755      0.665675 14.7241      0.919327 15.6731      0.965157 3.83505  0.119858  3.95663  0.121967  
1 1 1 35 16 15 o 6.62466  0.0737153 43.9077      0.976678 43.9222      1.41298  43.8945      1.35153  6.62396  0.106657  6.62216  0.102046  
1 1 1 35 16 16 o 5.46492  0.0801363 29.8856      0.875876 28.2695      1.19132  31.7869      1.29217  5.3134   0.112105  5.63409  0.114674  
1 1 1 35 16 17 o 1.27004  0.243136  1.67727      0.595563 1.0937       0.835703 2.27952      0.84896  1.05694  0.344641  1.47638  0.297954  
1 1 1 35 16 18 o 4.6993   0.082867  22.1037      0.778835 20.6769      1.06423  23.749       1.14285  4.54303  0.117127  4.86882  0.117364  
1 1 1 35 16 19 o 6.57033  0.0798018 43.2099      1.04865  42.4826      1.4141   44.0986      1.56309  6.51213  0.108575  6.6338   0.117812  
1 1 1 35 16 20 o 2.27638  0.145064  5.20034      0.660444 3.86656      0.886884 6.86076      0.989543 1.95783  0.226497  2.61134  0.18947   
1 1 1 35 16 21 o 2.46393  0.132754  6.09158      0.654191 4.52216      0.861447 8.22978      1.0055   2.11812  0.203352  2.86026  0.175771  
1 1 1 35 16 22 o 2.443    0.138231  5.9923       0.675396 5.39434      0.894816 6.78399      1.02962  2.31353  0.193388  2.59393  0.198466  
1 1 1 35 16 23 o 4.25513  0.0921671 18.1435      0.784365 19.0107      1.06483  17.1147      1.15976  4.35223  0.122331  4.12712  0.140505  
1 1 1 35 16 24 o 6.0357   0.0885709 36.5106      1.06918  38.7844      1.48537  34.0659      1.5402   6.21526  0.119494  5.82231  0.132267  
1 1 1 35 16 25 o 0.904913 0.313291  0.770832     0.692078 0.556352     0.932294 1.03411      1.03291  0.908221 0.354792  1.06438  0.381313  
1 1 1 35 16 26 o 3.64611  0.117176  13.36        0.854477 13.0195      1.22334  13.6844      1.19402  3.58939  0.170411  3.68172  0.162155  
1 1 1 35 16 27 o 2.6258   0.15098   6.95488      0.792885 6.58703      1.0919   7.36522      1.15323  2.54416  0.214589  2.6903   0.214332  
1 1 1 35 16 28 o 1.13946  0.315127  1.39628      0.741807 0.576707     1.01992  2.31675      1.08088  0.933516 0.369294  1.45231  0.370791  
1 1 1 35 16 29 o 0.936906 0.334278  0.82238      0.793092 0.515473     1.07207  1.19337      1.17869  0.929337 0.374569  1.11972  0.406716  
1 1 1 35 16 30 o 0.606931 0.281254  -0.618275    0.813483 -0.551496    1.1246   -0.691565    1.17814  0.748382 0.340661  0.748985 0.343657  
1 1 1 35 16 31 o 2.37677  0.194567  5.78921      0.924882 6.17182      1.23923  5.30812      1.38961  2.43289  0.254683  2.23387  0.311031  
1 1 1 35 16 32 o 2.55272  0.174762  6.66619      0.892237 5.9251       1.24701  7.44354      1.27716  2.37332  0.262713  2.67148  0.239036  
1 1 1 35 16 33 o 1.24401  0.348609  1.76264      0.901826 2.20592      1.22865  1.24488      1.32787  1.36987  0.413762  1.12399  0.427183  
1 1 1 35 16 34 o 0.824309 0.335972  0.433255     0.874681 -0.105409    1.20697  1.02905      1.26936  0.822652 0.365293  1.05137  0.413227  
1 1 1 35 16 35 o 0.863182 0.342436  0.623862     0.879251 0.0425203    1.23374  1.22387      1.25339  0.841145 0.371938  1.07284  0.412959  
1 1 1 35 16 36 o 0.653319 0.29843   -0.34482     0.877473 0.0762518    1.19251  -0.841989    1.29579  0.82234  0.364384  0.729565 0.342982  
1 1 1 35 16 37 o 1.42296  0.334525  2.50796      0.937051 1.20925      1.33816  3.75749      1.31259  1.02414  0.41618   1.68967  0.395084  
1 1 1 35 16 38 o 0.865742 0.353482  0.775553     0.969953 1.61775      1.37499  -0.0586799   1.36847  1.07299  0.42742   0.800337 0.368541  
1 1 1 35 16 39 o 0.797102 0.34509   0.55178      1.01277  3.09642      1.47799  -1.7007      1.39055  1.33167  0.458141  0.629822 0.310194  
1 1 1 35 16 40 o 0.796719 0.346202  0.786413     1.02644  2.0044       1.48699  -0.32216     1.41863  0.999275 0.42496   0.707766 0.340635  
1 1 1 35 16 41 o 0.803925 0.35566   0.931911     1.13005  -0.216023    1.75728  1.74135      1.47562  0.733297 0.358667  0.917838 0.406191  
1 1 1 35 17 0  o 16.5622  0.198828  274.608      6.58393  274.608      6.58393  274.608      6.58393  16.5667  0.140531  ?        ?         
1 1 1 35 17 1  o 9.32099  0.0826742 86.9011      1.54121  85.1526      2.13251  88.813       2.22996  9.22571  0.115574  9.42181  0.11834   
1 1 1 35 17 2  o 6.8445   0.079065  46.8573      1.08232  45.2787      1.54626  48.3736      1.51547  6.7274   0.114923  6.95368  0.108969  
1 1 1 35 17 3  o 12.3534  0.103756  152.664      2.56347  152.163      3.51219  153.235      3.75007  12.3309  0.142414  12.3737  0.151534  
1 1 1 35 17 4  o 8.25716  0.079286  68.1967      1.30935  68.1983      1.8597   68.1952      1.84382  8.25627  0.112623  8.25611  0.111664  
1 1 1 35 17 5  f 7.29992  0.0799643 53.3023      1.16747  52.1809      1.66732  54.3809      1.63524  7.22172  0.115438  7.37254  0.110901  
1 1 1 35 17 6  o 3.52399  0.10178   12.4239      0.717342 12.15        1.03662  12.6756      0.993691 3.48403  0.148767  3.5588   0.139611  
1 1 1 35 17 7  o 5.72673  0.0850587 32.8061      0.974216 31.5493      1.33655  34.2309      1.42301  5.61505  0.119015  5.84874  0.121651  
1 1 1 35 17 8  o 9.07361  0.0842835 82.3587      1.52951  80.7782      2.06189  84.2924      2.28075  8.9848   0.114743  9.17765  0.124255  
1 1 1 35 17 9  o 2.22325  0.141379  4.948        0.628643 4.13851      0.911121 5.6835       0.868481 2.03168  0.224228  2.38196  0.182304  
1 1 1 35 17 10 o 8.44775  0.0828141 71.392       1.39919  71.9577      2.05648  70.9045      1.90921  8.47929  0.121265  8.41744  0.113408  
1 1 1 35 17 11 o 5.45398  0.0798982 29.7575      0.871526 29.6758      1.18594  29.8535      1.28507  5.44557  0.10889   5.46151  0.117648  
1 1 1 35 17 12 o 6.51022  0.0786475 42.4006      1.02403  42.3788      1.49935  42.4196      1.40194  6.50697  0.115211  6.51047  0.107668  
1 1 1 35 17 13 o 4.81155  0.080728  23.1623      0.776854 22.3402      1.13925  23.8768      1.06208  4.72394  0.120582  4.8842   0.108726  
1 1 1 35 17 14 o 7.41423  0.0767901 54.9988      1.13868  54.704       1.63713  55.2751      1.58482  7.39228  0.110732  7.43105  0.106635  
1 1 1 35 17 15 f 6.67377  0.0753666 44.5653      1.00596  46.5843      1.39809  42.3979      1.44853  6.82161  0.102475  6.50725  0.111301  
1 1 1 35 17 16 o 2.74294  0.109916  7.53387      0.602986 8.03252      0.829576 6.97532      0.877984 2.83078  0.146528  2.637    0.166474  
1 1 1 35 17 17 o 3.93378  0.088825  15.49        0.698837 15.9927      0.987589 14.9858      0.98902  3.99525  0.123596  3.86717  0.127874  
1 1 1 35 17 18 o 1.03474  0.275849  1.12025      0.581443 0.450862     0.81303  1.82102      0.831861 0.848838 0.331378  1.31393  0.319248  
1 1 1 35 17 19 o 3.2492   0.110671  10.5778      0.719187 8.80458      0.965107 12.792       1.07848  2.96097  0.162971  3.57009  0.151044  
1 1 1 35 17 20 o 2.44204  0.129861  5.98176      0.634252 5.65233      0.857639 6.3794       0.942255 2.37042  0.180904  2.51775  0.187123  
1 1 1 35 17 21 o 5.52413  0.0825075 30.558       0.911563 29.4336      1.22602  31.948       1.36315  5.41829  0.113137  5.64397  0.120762  
1 1 1 35 17 22 o 3.30135  0.107361  10.9271      0.708874 12.286       1.02041  9.65965      0.985498 3.49683  0.145905  3.09925  0.15899   
1 1 1 35 17 23 o 6.26565  0.0875624 39.3374      1.09727  39.3272      1.48912  39.3494      1.62307  6.25961  0.118947  6.25921  0.129655  
1 1 1 35 17 24 o 3.92853  0.100469  15.4795      0.789393 16.3228      1.08595  14.5347      1.1495   4.02939  0.134754  3.79965  0.151263  
1 1 1 35 17 25 o 3.31678  0.116443  11.0509      0.772433 11.0688      1.06393  11.0309      1.12325  3.31256  0.160591  3.30517  0.169923  
1 1 1 35 17 26 o 5.32697  0.0990671 28.4764      1.05546  28.9343      1.4976   28.0245      1.48773  5.36019  0.139697  5.27489  0.14102   
1 1 1 35 17 27 o 1.58415  0.224967  2.55999      0.712762 1.00799      0.96035  4.46337      1.06352  1.03593  0.368019  2.08582  0.254941  
1 1 1 35 17 28 o 3.67851  0.118016  13.6231      0.868243 13.7789      1.22745  13.4671      1.22831  3.68738  0.166439  3.64482  0.168501  
1 1 1 35 17 29 o 2.32195  0.180807  5.48744      0.83965  5.71183      1.13564  5.21687      1.24705  2.35279  0.24134   2.23704  0.278728  
1 1 1 35 17 30 o 1.42274  0.294626  2.19972      0.810064 1.1721       1.13005  3.28592      1.16182  1.09741  0.398273  1.7241   0.349123  
1 1 1 35 17 31 o 1.23874  0.336469  1.71168      0.85508  2.82009      1.18467  0.506192     1.23546  1.57358  0.380134  0.960334 0.396606  
1 1 1 35 17 32 o 2.07254  0.220998  4.4553       0.916053 4.18889      1.24025  4.7751       1.35885  1.97369  0.314194  2.10306  0.323065  
1 1 1 35 17 33 o 0.824357 0.333085  0.438108     0.850729 1.30665      1.18379  -0.489555    1.22342  1.11665  0.407398  0.778352 0.354574  
1 1 1 35 17 34 o 0.906862 0.346036  0.764254     0.87417  -0.642811    1.19144  2.40497      1.28656  0.736907 0.341061  1.39564  0.423774  
1 1 1 35 17 35 o 1.54242  0.309523  2.73109      0.921186 1.7545       1.2485   3.89804      1.36476  1.19944  0.420257  1.78417  0.393056  
1 1 1 35 17 36 o 1.47799  0.313844  2.58201      0.8997   3.36911      1.24902  1.73316      1.29708  1.63048  0.388091  1.16604  0.426346  
1 1 1 35 17 37 o 1.01937  0.361276  1.29464      0.924986 0.380239     1.27805  2.3005       1.34044  0.864828 0.380978  1.2699   0.436358  
1 1 1 35 17 38 o 0.717396 0.322841  0.0643152    0.97259  0.486742     1.37134  -0.363211    1.3796   0.861994 0.38578   0.75718  0.355463  
1 1 1 35 17 39 f 0.624661 0.296546  -0.546859    1.00187  -0.0930142   1.45426  -0.956836    1.38219  0.776818 0.364731  0.680896 0.329496  
1 1 1 35 17 40 o 0.785871 0.344859  0.77452      1.03895  1.33945      1.50657  0.262229     1.43467  0.881642 0.399001  0.7544   0.356588  
1 1 1 35 17 41 o 0.668555 0.320747  -0.0220252   1.23326  0.751291     1.78902  -0.722256    1.70238  0.773201 0.374285  0.671263 0.333164  
1 1 1 35 18 0  o 13.0934  0.149522  171.579      3.91435  171.579      3.91435  171.579      3.91435  13.0961  0.105691  ?        ?         
1 1 1 35 18 1  o 3.83375  0.0871078 14.702       0.6679   14.5859      0.972667 14.8056      0.918743 3.81794  0.127381  3.84673  0.119419  
1 1 1 35 18 2  o 10.583   0.0903695 112.037      1.91277  113.301      2.9013   111.065      2.54391  10.6403  0.136335  10.5357  0.120729  
1 1 1 35 18 3  f 13.7003  0.106795  187.786      2.92623  189.382      4.15639  186.216      4.12048  13.7551  0.151085  13.6397  0.151048  
1 1 1 35 18 4  o 2.46695  0.129533  6.09024      0.639103 6.25551      0.903173 5.92448      0.904484 2.49933  0.180683  2.4322   0.185939  
1 1 1 35 18 5  o 15.0414  0.129526  226.413      3.89651  229.877      5.59776  223.157      5.42719  15.15    0.184745  14.9273  0.181788  
1 1 1 35 18 6  o 3.27442  0.105564  10.7274      0.69132  12.2105      0.999125 9.3653       0.957547 3.49266  0.143032  3.0585   0.156538  
1 1 1 35 18 7  o 7.75765  0.0802744 60.2005      1.24548  60.779       1.78461  59.6511      1.73903  7.79355  0.114492  7.72097  0.112617  
1 1 1 35 18 8  o 5.80228  0.0758659 33.6767      0.88039  33.5643      1.24843  33.7879      1.24172  5.79169  0.107777  5.81098  0.106842  
1 1 1 35 18 9  o 7.21508  0.0805461 52.0766      1.16229  53.0483      1.62425  51.0567      1.66393  7.28086  0.111542  7.14265  0.116479  
1 1 1 35 18 10 o 6.3308   0.0797158 40.0946      1.00933  40.9657      1.45423  39.2849      1.40202  6.3979   0.113649  6.26535  0.111887  
1 1 1 35 18 11 o 11.2481  0.0933215 126.593      2.09938  126.1        2.98399  127.076      2.95417  11.2227  0.132944  11.2663  0.131107  
1 1 1 35 18 12 o 8.65024  0.0798658 74.8618      1.38172  74.7488      2.01208  74.9626      1.90075  8.64137  0.116422  8.6542   0.109817  
1 1 1 35 18 13 o 9.47216  0.0869322 89.7786      1.64687  92.8109      2.61319  87.7808      2.1211   9.62637  0.135731  9.36408  0.113258  
1 1 1 35 18 14 o 6.10372  0.076564  37.277       0.93465  38.0679      1.36316  36.5752      1.28398  6.16622  0.110535  6.0444   0.106212  
1 1 1 35 18 15 o 2.39301  0.123545  5.73603      0.591288 5.6251       0.834057 5.8481       0.838374 2.36774  0.176129  2.41433  0.173624  
1 1 1 35 18 16 o 2.66548  0.108768  7.11486      0.579839 7.26251      0.79396  6.9461       0.848817 2.69138  0.147501  2.63143  0.161285  
1 1 1 35 18 17 o 1.99758  0.143865  4.00163      0.574764 2.88668      0.770568 5.39988      0.862929 1.69302  0.227572  2.31826  0.186115  
1 1 1 35 18 18 o 6.84584  0.0795533 46.91        1.08922  46.015       1.55876  47.7641      1.52265  6.77664  0.11501   6.90479  0.110261  
1 1 1 35 18 19 o 7.12809  0.0858274 50.8738      1.22357  49.6229      1.64055  52.4418      1.83682  7.03612  0.11658   7.23163  0.126999  
1 1 1 35 18 20 o 6.39465  0.0840077 40.9474      1.0744   41.1341      1.47634  40.7371      1.56653  6.40537  0.115242  6.37326  0.122899  
1 1 1 35 18 21 o 3.3579   0.101625  11.3001      0.682497 11.472       0.936999 11.1058      0.996105 3.38025  0.138599  3.32473  0.149802  
1 1 1 35 18 22 o 5.50415  0.083528  30.3465      0.919501 29.4242      1.27228  31.355       1.33041  5.41542  0.117468  5.59004  0.118998  
1 1 1 35 18 23 o 5.46528  0.0886739 29.9352      0.969256 28.4127      1.28938  31.9133      1.46973  5.31951  0.121193  5.63588  0.13039   
1 1 1 35 18 24 o 2.94547  0.121227  8.71548      0.714144 9.56289      0.976259 7.74007      1.04739  3.08032  0.158467  2.76664  0.18929   
1 1 1 35 18 25 o 1.09974  0.307727  1.28761      0.703221 1.19282      0.972031 1.3917       1.01861  1.0962   0.371691  1.16376  0.380492  
1 1 1 35 18 26 o 4.87411  0.0982109 23.8419      0.957381 24.7808      1.31466  22.7818      1.39696  4.9618   0.132478  4.75391  0.146928  
1 1 1 35 18 27 o 2.08886  0.176718  4.41828      0.73828  4.3492       1.00984  4.49761      1.08207  2.06039  0.24506   2.09242  0.258569  
1 1 1 35 18 28 o 1.61047  0.237794  2.66746      0.765919 2.27311      1.06589  3.08847      1.10132  1.43258  0.369658  1.68344  0.339008  
1 1 1 35 18 29 o 3.4461   0.133906  11.9978      0.922908 10.7846      1.24052  13.5016      1.38116  3.25009  0.190843  3.6369   0.189882  
1 1 1 35 18 30 f 0.620411 0.284298  -0.497617    0.803429 -0.683631    1.11505  -0.296773    1.15864  0.723835 0.333043  0.796732 0.355639  
1 1 1 35 18 31 o 2.12307  0.208792  4.65357      0.88656  5.42081      1.22841  3.81948      1.2808   2.26748  0.270876  1.84352  0.360229  
1 1 1 35 18 32 o 0.789221 0.331182  0.225671     0.883322 0.349507     1.19724  0.0777277    1.30859  0.91316  0.384487  0.896937 0.390342  
1 1 1 35 18 33 o 0.641428 0.292822  -0.432794    0.843384 0.385824     1.16287  -1.34124     1.22501  0.901944 0.379307  0.676324 0.323312  
1 1 1 35 18 34 o 1.7427   0.264164  3.28272      0.920718 2.7584       1.28082  3.84336      1.32446  1.48939  0.41483   1.79139  0.381079  
1 1 1 35 18 35 o 2.36566  0.196536  5.88223      0.929872 5.39335      1.28455  6.42045      1.3478   2.20123  0.291781  2.41189  0.279408  
1 1 1 35 18 36 o 0.811201 0.33236   0.514656     0.860465 0.199478     1.18496  0.866237     1.25153  0.827936 0.365508  0.960689 0.398109  
1 1 1 35 18 37 o 1.03919  0.357228  1.36861      0.898436 1.43801      1.22572  1.28804      1.32076  1.057    0.408061  1.029    0.415331  
1 1 1 35 18 38 o 1.68504  0.312149  3.59104      1.01244  2.42308      1.40205  4.86372      1.46355  1.21082  0.443209  1.83232  0.409736  
1 1 1 35 18 39 o 0.702206 0.320225  0.0792945    1.00363  0.566179     1.47475  -0.340727    1.36975  0.842779 0.38577   0.726351 0.345731  
1 1 1 35 18 40 o 0.933874 0.370536  1.52639      1.02961  1.16195      1.52697  1.83024      1.39425  0.848307 0.39007   0.947607 0.407494  
1 1 1 35 18 41 o 0.786488 0.353421  1.19909      1.16134  1.56151      1.65275  0.845633     1.6322   0.799871 0.380273  0.739383 0.357843  
1 1 1 35 19 0  o 5.63701  0.0975465 31.8111      1.099    31.8111      1.099    31.8111      1.099    5.63857  0.0689334 ?        ?         
1 1 1 35 19 1  f 5.68599  0.0711303 32.3377      0.808892 33.1335      1.18935  31.6529      1.10337  5.75479  0.103336  5.62487  0.0980799 
1 1 1 35 19 2  o 4.63715  0.07714   21.5089      0.715419 21.0326      0.997133 22.0143      1.02704  4.58489  0.108741  4.69066  0.109477  
1 1 1 35 19 3  f 9.62352  0.0841496 92.6422      1.61963  91.6293      2.22721  93.779       2.35951  9.56931  0.116373  9.68062  0.121868  
1 1 1 35 19 4  o 5.54276  0.0808437 30.7317      0.896195 30.0471      1.25697  31.4395      1.27811  5.47981  0.114691  5.60536  0.114008  
1 1 1 35 19 5  o 13.589   0.112522  184.777      3.05814  185.003      4.34412  184.555      4.30585  13.593   0.159792  13.5767  0.158576  
1 1 1 35 19 6  o 10.8459  0.0914837 117.685      1.98445  116.15       2.80656  119.22       2.80631  10.7726  0.130264  10.9141  0.128563  
1 1 1 35 19 7  o 15.1835  0.115968  230.707      3.52158  234.548      4.99704  226.917      4.96367  15.3039  0.163261  15.0526  0.164877  
1 1 1 35 19 8  o 4.87026  0.0810054 23.7285      0.789035 22.4679      1.11657  24.9859      1.11516  4.73812  0.117828  4.99679  0.111588  
1 1 1 35 19 9  o 6.60616  0.0798433 43.6585      1.05491  45.4709      1.55652  42.1189      1.43467  6.74041  0.115462  6.48743  0.110573  
1 1 1 35 19 10 o 6.82275  0.0779752 46.5689      1.06401  45.8633      1.46209  47.3632      1.55135  6.76957  0.10799   6.87913  0.112758  
1 1 1 35 19 11 o 4.12884  0.0912805 17.0577      0.753765 17.9701      1.08486  16.2063      1.04806  4.23653  0.128036  4.02317  0.130254  
1 1 1 35 19 12 o 8.33063  0.0864969 69.4422      1.44115  69.477       2.02541  69.4066      2.05102  8.33017  0.12157   8.32581  0.123172  
1 1 1 35 19 13 o 6.06387  0.0740073 36.7898      0.897541 37.799       1.36733  36.0257      1.18975  6.14446  0.111265  5.99933  0.0991567 
1 1 1 35 19 14 o 2.76823  0.105085  7.67213      0.581797 7.47921      0.837877 7.85175      0.80848  2.73139  0.153379  2.79899  0.144424  
1 1 1 35 19 15 o 6.34745  0.0720595 40.3144      0.914789 39.1131      1.27824  41.5755      1.30974  6.25025  0.102256  6.44404  0.101624  
1 1 1 35 19 16 o 6.47421  0.0745181 41.946       0.964891 41.4661      1.33699  42.4675      1.39392  6.43485  0.103886  6.5118   0.10703   
1 1 1 35 19 17 o 8.82138  0.0845115 77.8974      1.49102  75.5275      2.01631  80.7571      2.21488  8.68211  0.116119  8.97652  0.123371  
1 1 1 35 19 18 o 3.69003  0.0976292 13.6374      0.72051  12.4984      1.04897  14.6547      0.99138  3.52894  0.148623  3.82289  0.129664  
1 1 1 35 19 19 o 9.58077  0.0872094 91.9194      1.67107  92.0624      2.32822  91.7675      2.3999   9.58189  0.121491  9.56568  0.125443  
1 1 1 35 19 20 o 2.24697  0.151884  5.07255      0.682558 6.08421      0.926481 3.87169      1.00941  2.4578   0.188478  1.95451  0.258225  
1 1 1 35 19 21 o 3.81257  0.0939227 14.5646      0.716174 13.8882      0.994802 15.2922      1.03186  3.71925  0.133737  3.90289  0.132192  
1 1 1 35 19 22 o 3.23778  0.113164  10.5183      0.732802 10.0919      0.994015 11.0258      1.08457  3.16667  0.156949  3.30901  0.163882  
1 1 1 35 19 23 o 2.42585  0.145338  5.92133      0.705136 6.18221      0.930059 5.56864      1.08139  2.47366  0.187993  2.34162  0.230907  
1 1 1 35 19 24 f 2.16433  0.153973  4.72086      0.666498 3.74145      0.92233  5.79123      0.964206 1.91587  0.240708  2.39035  0.201688  
1 1 1 35 19 25 o 6.31751  0.0903741 40.0279      1.14188  38.0921      1.55574  42.2888      1.68128  6.15411  0.126398  6.48329  0.129662  
1 1 1 35 19 26 o 2.11133  0.17414   4.51109      0.735335 4.32654      1.0035   4.7251       1.08062  2.05601  0.244041  2.14706  0.25165   
1 1 1 35 19 27 o 5.11784  0.0946916 26.2987      0.969233 25.2922      1.33264  27.4289      1.41222  5.00907  0.133023  5.21562  0.135384  
1 1 1 35 19 28 o 1.30244  0.305821  1.84524      0.783886 2.77002      1.06399  0.747363     1.1593   1.58806  0.344669  1.00493  0.394927  
1 1 1 35 19 29 f 0.576547 0.270491  -0.756696    0.794258 -0.382646    1.11577  -1.14095     1.13088  0.769819 0.346146  0.674118 0.317933  
1 1 1 35 19 30 o 2.36945  0.175099  5.72811      0.829778 4.55649      1.12397  7.13158      1.23017  2.08494  0.269545  2.62309  0.234488  
1 1 1 35 19 31 o 1.12231  0.351281  1.39053      0.875088 1.52773      1.19366  1.23112      1.28669  1.18709  0.411401  1.12403  0.422298  
1 1 1 35 19 32 o 0.62993  0.289991  -0.52232     0.846651 -0.987463    1.17605  -0.0218992   1.21984  0.699044 0.328175  0.849837 0.373298  
1 1 1 35 19 33 o 1.01378  0.349441  1.1111       0.860194 0.544981     1.15386  1.81933      1.29058  0.925838 0.382877  1.24602  0.428165  
1 1 1 35 19 34 o 0.688474 0.309296  -0.202055    0.888909 0.659534     1.23934  -1.1149      1.27567  0.952072 0.395451  0.704328 0.334488  
1 1 1 35 19 35 o 1.31403  0.330666  2.06201      0.868963 1.79983      1.2263   2.32643      1.23151  1.19616  0.416752  1.34178  0.416074  
1 1 1 35 19 36 o 1.34846  0.337576  2.26218      0.909202 1.29207      1.29678  3.20014      1.27511  1.04062  0.41491   1.54306  0.407199  
1 1 1 35 19 37 o 0.907982 0.345456  0.962791     0.86915  2.54313      1.2146   -0.695689    1.24427  1.33322  0.413165  0.702102 0.33197   
1 1 1 35 19 38 o 0.863916 0.355411  0.879874     0.987976 1.00272      1.40105  0.758365     1.3934   0.920404 0.402205  0.882558 0.392118  
1 1 1 35 19 39 o 0.808415 0.344268  0.831335     0.978286 2.41761      1.42075  -0.598863    1.34905  1.10113  0.435778  0.677236 0.327343  
1 1 1 35 19 40 o 0.871757 0.357854  1.2115       0.999435 1.97939      1.44574  0.508639     1.38317  0.97755  0.417471  0.773955 0.361756  
1 1 1 35 20 0  o 2.40026  0.162862  5.8441       0.773562 5.8441       0.773562 5.8441       0.773562 2.409    0.114114  ?        ?         
1 1 1 35 20 1  o 3.69863  0.0813988 13.6843      0.602127 13.0947      0.842917 14.2986      0.860426 3.61746  0.116507  3.78014  0.113809  
1 1 1 35 20 2  o 19.8244  0.142497  393.404      5.64986  389.694      8.01544  397.067      7.96501  19.7204  0.203227  19.9067  0.200058  
1 1 1 35 20 3  o 3.57849  0.0769933 12.8094      0.551039 13.4233      0.765495 12.1493      0.793851 3.66276  0.104497  3.48443  0.113914  
1 1 1 35 20 4  o 8.68988  0.081263  75.5402      1.41233  76.1243      2.03765  75.0001      1.95932  8.72182  0.116814  8.65737  0.113159  
1 1 1 35 20 5  o 20.6096  0.157492  425.329      6.49169  424.892      9.42338  425.724      8.95574  20.5837  0.228904  20.6067  0.217301  
1 1 1 35 20 6  o 9.66217  0.0874163 93.3981      1.68926  91.354       2.34306  95.6106      2.4377   9.55386  0.122624  9.77376  0.124706  
1 1 1 35 20 7  o 8.33102  0.079915  69.4323      1.33155  70.8507      1.92527  68.1317      1.84357  8.41399  0.114409  8.25111  0.111717  
1 1 1 35 20 8  o 18.0691  0.140615  326.9        5.08158  327.367      7.19768  326.435      7.17525  18.0704  0.199157  18.0447  0.198819  
1 1 1 35 20 9  f 1.29938  0.254597  1.75375      0.638047 1.4097       0.907196 2.09053      0.89755  1.17786  0.355494  1.41292  0.324306  
1 1 1 35 20 10 o 2.06591  0.153921  4.27546      0.635972 3.34244      0.901377 5.20034      0.897437 1.82407  0.247079  2.27711  0.197056  
1 1 1 35 20 11 o 5.03036  0.0825775 25.3187      0.830789 26.2084      1.16633  24.4023      1.18369  5.11666  0.113974  4.93693  0.119881  
1 1 1 35 20 12 o 5.86014  0.0805734 34.3623      0.944342 35.0962      1.3373   33.6323      1.33371  5.92065  0.112935  5.79572  0.11506   
1 1 1 35 20 13 o 2.62895  0.0963469 6.91816      0.506582 6.72941      0.761532 7.06799      0.678471 2.59117  0.146948  2.65629  0.12771   
1 1 1 35 20 14 o 2.34195  0.115628  5.49305      0.54159  5.62611      0.762828 5.35781      0.76906  2.36845  0.16104   2.31105  0.166387  
1 1 1 35 20 15 f 6.9082   0.0772637 47.7595      1.06751  47.9281      1.58178  47.6185      1.44662  6.91726  0.114336  6.89578  0.104892  
1 1 1 35 20 16 o 5.52707  0.0790452 30.5755      0.873776 31.4619      1.28113  29.8045      1.1948   5.6039   0.114307  5.45471  0.10952   
1 1 1 35 20 17 o 6.41175  0.0766029 41.148       0.982318 41.2876      1.41528  41.0182      1.36453  6.41943  0.110234  6.39884  0.106623  
1 1 1 35 20 18 o 2.66807  0.123755  7.13777      0.660371 6.59212      0.915118 7.73065      0.953899 2.56029  0.178714  2.77315  0.171988  
1 1 1 35 20 19 o 3.20857  0.107938  10.3186      0.692653 10.0337      0.941903 10.6541      1.02213  3.16071  0.149002  3.25618  0.156952  
1 1 1 35 20 20 o 4.01931  0.0922017 16.1841      0.741175 15.8811      1.05305  16.4816      1.04338  3.97776  0.132367  4.05267  0.128728  
1 1 1 35 20 21 o 1.12495  0.283599  1.34008      0.63832  0.340502     0.892182 2.38831      0.913641 0.844086 0.341084  1.50049  0.314533  
1 1 1 35 20 22 o 1.89646  0.174635  3.62732      0.662379 4.18051      0.891842 2.94675      0.989196 2.03107  0.21955   1.66997  0.307712  
1 1 1 35 20 23 o 2.23318  0.151249  5.02241      0.675531 4.64266      0.927541 5.45138      0.985808 2.13911  0.216806  2.31858  0.212588  
1 1 1 35 20 24 o 5.15037  0.0929678 26.6074      0.957636 27.0183      1.3792   26.2249      1.3307   5.1816   0.133087  5.1056   0.130318  
1 1 1 35 20 25 o 1.73943  0.210418  3.07443      0.732014 3.06876      0.996678 3.08107      1.07862  1.69938  0.304251  1.69575  0.329805  
1 1 1 35 20 26 o 2.12247  0.173068  4.55899      0.734663 4.42898      1.02163  4.69821      1.05722  2.07929  0.245667  2.14131  0.246864  
1 1 1 35 20 27 o 1.76776  0.198856  3.18669      0.703058 4.01246      0.967871 2.26424      1.02296  1.97387  0.245171  1.43269  0.357717  
1 1 1 35 20 28 o 2.69556  0.156497  7.36602      0.843695 6.4866       1.14373  8.41583      1.24962  2.51038  0.2278    2.86277  0.218254  
1 1 1 35 20 29 o 1.46786  0.284864  2.32782      0.806431 0.739119     1.1124   4.08761      1.17077  0.984317 0.386848  1.96877  0.297334  
1 1 1 35 20 30 o 2.34062  0.181256  5.6057       0.848504 5.78168      1.15425  5.3988       1.25159  2.35514  0.245049  2.26329  0.276497  
1 1 1 35 20 31 o 1.46089  0.315739  2.37197      0.896358 1.46902      1.22524  3.41169      1.31477  1.17347  0.415807  1.72103  0.390797  
1 1 1 35 20 32 o 0.766825 0.324632  0.18075      0.861146 1.09739      1.19619  -0.805405    1.24072  1.06608  0.405369  0.742909 0.345448  
1 1 1 35 20 33 o 1.23056  0.344634  1.76715      0.881638 1.53151      1.20602  2.03762      1.29208  1.15742  0.412289  1.29377  0.428534  
1 1 1 35 20 34 f 1.029    0.348028  1.20675      0.852208 0.240501     1.18273  2.25012      1.22902  0.858086 0.372227  1.3373   0.415848  
1 1 1 35 20 35 o 1.28757  0.337872  2.0146       0.881008 0.726441     1.2242   3.39847      1.26887  0.939416 0.391788  1.63615  0.392258  
1 1 1 35 20 36 o 0.925675 0.350516  0.973079     0.891284 1.40145      1.2909   0.582853     1.23209  1.05862  0.416514  0.89047  0.382999  
1 1 1 35 20 37 o 1.30751  0.356454  2.2965       0.957505 3.40777      1.3505   1.17325      1.35776  1.51363  0.427394  0.976766 0.410274  
1 1 1 35 20 38 o 0.681141 0.312192  -0.0704515   0.96939  0.0699667    1.34728  -0.221179    1.39586  0.780858 0.361892  0.756211 0.355645  
1 1 1 35 20 39 o 1.02658  0.3703    1.76653      0.975582 2.51212      1.39605  1.05491      1.36388  1.10202  0.433287  0.851519 0.382802  
1 1 1 35 20 40 o 1.0385   0.377231  1.96667      1.014    2.99684      1.45788  1.00132      1.41127  1.13006  0.443215  0.813854 0.374553  
1 1 1 35 21 0  o 21.7847  0.222837  475.359      9.70656  475.359      9.70656  475.359      9.70656  21.7937  0.157485  ?        ?         
1 1 1 35 21 1  o 6.62556  0.072044  43.9105      0.954664 43.554       1.34198  44.2757      1.35836  6.5977   0.101701  6.65212  0.1021    
1 1 1 35 21 2  o 22.3847  0.163746  501.815      7.33085  498.078      10.6902  505.133      10.0722  22.2826  0.239877  22.4443  0.224381  
1 1 1 35 21 3  o 1.96501  0.110326  3.86389      0.433585 3.84022      0.591509 3.89137      0.637425 1.9584   0.151018  1.97122  0.161683  
1 1 1 35 21 4  o 11.935   0.0978692 142.522      2.33613  142.754      3.35381  142.302      3.25594  11.9412  0.14043   11.9227  0.136544  
1 1 1 35 21 5  o 2.66013  0.116706  7.08205      0.620909 7.5374       0.925316 6.70907      0.83744  2.7431   0.168662  2.58816  0.161783  
1 1 1 35 21 6  f 8.4835   0.082842  72.0004      1.40558  69.7262      1.95042  74.4577      2.0274   8.34665  0.116838  8.62516  0.117528  
1 1 1 35 21 7  o 1.98248  0.1596    3.93677      0.632806 3.47704      0.927035 4.33788      0.865932 1.86086  0.249088  2.07977  0.20818   
1 1 1 35 21 8  o 10.0856  0.0914264 101.779      1.84418  103.417      2.67966  100.304      2.54191  10.1632  0.131832  10.0095  0.126975  
1 1 1 35 21 9  f 6.81696  0.079115  46.493       1.07865  46.0512      1.56097  46.8967      1.49223  6.78267  0.115071  6.84501  0.109001  
1 1 1 35 21 10 o 5.43645  0.0815968 29.5714      0.887193 29.7835      1.2291   29.3406      1.28193  5.45452  0.112668  5.41351  0.118401  
1 1 1 35 21 11 o 7.8664   0.0826605 61.9203      1.30048  62.1864      1.80129  61.6306      1.87952  7.88098  0.114281  7.8452   0.119788  
1 1 1 35 21 12 o 1.166    0.253451  1.42222      0.574523 0.397165     0.796229 2.53555      0.829807 0.829596 0.32689   1.58667  0.261493  
1 1 1 35 21 13 o 7.75667  0.0829707 60.2125      1.28715  57.8325      1.82598  62.5631      1.81469  7.59859  0.120153  7.90381  0.114798  
1 1 1 35 21 14 o 2.35366  0.114307  5.5487       0.538081 5.2723       0.779795 5.79992      0.743431 2.29202  0.17011   2.40473  0.154577  
1 1 1 35 21 15 o 2.22066  0.123811  4.94181      0.549884 5.21634      0.789649 4.68335      0.76619  2.27919  0.17323   2.15939  0.177409  
1 1 1 35 21 16 o 5.36572  0.0759204 28.8159      0.814735 27.3482      1.14222  30.336       1.16246  5.22481  0.109307  5.50315  0.105618  
1 1 1 35 21 17 o 4.33923  0.0837199 18.8512      0.72656  19.0563      0.993737 18.6156      1.06498  4.36054  0.113947  4.30899  0.123576  
1 1 1 35 21 18 o 1.55544  0.197357  2.4372       0.613952 1.98094      0.83372  2.97776      0.907481 1.36845  0.311516  1.7143   0.26468   
1 1 1 35 21 19 o 3.67369  0.0946603 13.521       0.695506 11.5389      0.986506 15.4799      0.980709 3.38954  0.145522  3.92818  0.12483   
1 1 1 35 21 20 o 2.38763  0.132116  5.72352      0.630888 5.49317      0.918603 5.92918      0.867969 2.33347  0.196832  2.42616  0.178877  
1 1 1 35 21 21 o 3.64646  0.101781  13.3331      0.742277 13.8628      1.01935  12.7351      1.08302  3.71411  0.137227  3.55782  0.152202  
1 1 1 35 21 22 o 1.21263  0.271629  1.56004      0.642302 1.55861      0.862117 1.56183      0.962924 1.21053  0.341372  1.21774  0.365993  
1 1 1 35 21 23 o 4.57233  0.0936547 20.9664      0.856441 20.4642      1.18758  21.5106      1.23626  4.51076  0.131639  4.62423  0.133672  
1 1 1 35 21 24 o 3.05232  0.12862   9.37202      0.785178 9.45802      1.13477  9.29304      1.08755  3.05638  0.18564   3.03083  0.179415  
1 1 1 35 21 25 o 3.86439  0.110673  15.0048      0.855364 16.2087      1.23378  13.8906      1.18692  4.00752  0.153933  3.70852  0.160025  
1 1 1 35 21 26 o 0.896707 0.314883  0.756617     0.701225 -0.113063    0.984086 1.65368      0.999456 0.772738 0.337386  1.23863  0.372992  
1 1 1 35 21 27 f 2.0686   0.176231  4.34677      0.729104 4.01469      1.0178   4.69681      1.04496  1.97044  0.258267  2.13486  0.244737  
1 1 1 35 21 28 f 2.07593  0.196856  4.40665      0.817319 4.70886      1.13453  4.0806       1.17845  2.12632  0.266784  1.9693   0.299204  
1 1 1 35 21 29 o 2.40931  0.174227  5.91789      0.839533 5.84539      1.15668  5.99861      1.22045  2.37256  0.243761  2.39953  0.254309  
1 1 1 35 21 30 o 1.39345  0.311945  2.15392      0.847538 2.93223      1.12485  1.1318       1.28906  1.61014  0.35862   1.10161  0.420245  
1 1 1 35 21 31 o 2.43277  0.188598  6.08484      0.917629 5.13817      1.2636   7.14114      1.33477  2.196    0.287706  2.60553  0.256141  
1 1 1 35 21 32 o 2.27092  0.200564  5.34726      0.910928 4.97386      1.26391  5.75087      1.31405  2.14648  0.294414  2.31403  0.283931  
1 1 1 35 21 33 o 1.7175   0.254327  3.17178      0.873615 3.73569      1.23399  2.60514      1.23697  1.78269  0.358707  1.4505   0.408865  
1 1 1 35 21 34 o 0.670838 0.302257  -0.210492    0.855116 -1.30245     1.20724  0.889034     1.21141  0.658472 0.316256  0.984785 0.39765   
1 1 1 35 21 35 f 2.27888  0.200162  5.53321      0.912293 5.40312      1.29258  5.66234      1.28779  2.17131  0.297651  2.23135  0.288567  
1 1 1 35 21 36 o 1.74876  0.257273  3.44821      0.899819 4.7033       1.29346  2.27116      1.2526   1.97449  0.327543  1.26839  0.421937  
1 1 1 35 21 37 o 0.616221 0.289739  -0.496444    0.925374 -0.688365    1.32741  -0.314989    1.29071  0.70653  0.337465  0.737183 0.345668  
1 1 1 35 21 38 o 0.800404 0.343112  0.631395     0.983081 0.150963     1.41205  1.08331      1.3695   0.793517 0.368805  0.916113 0.399014  
1 1 1 35 21 39 o 0.521366 0.257196  -1.23676     0.974036 -1.06436     1.431    -1.38559     1.32958  0.638774 0.314602  0.597559 0.296152  
1 1 1 35 21 40 f 0.785041 0.342498  1.06119      1.01255  1.50436      1.50603  0.69561      1.36785  0.821596 0.38148   0.735256 0.347844  
1 1 1 35 22 0  o 18.5033  0.192253  342.858      7.11289  342.858      7.11289  342.858      7.11289  18.5098  0.135879  ?        ?         
1 1 1 35 22 1  o 14.0868  0.107069  198.575      3.01652  196.871      4.14133  200.5        4.40267  14.0219  0.147673  14.1496  0.155576  
1 1 1 35 22 2  o 2.56355  0.103078  6.57598      0.528493 7.01068      0.73785  6.11801      0.757333 2.64621  0.139416  2.47171  0.1532    
1 1 1 35 22 3  o 7.90056  0.0732439 62.4394      1.15734  63.0451      1.6605   61.8671      1.61393  7.93741  0.1046    7.863    0.102628  
1 1 1 35 22 4  o 10.9904  0.0948967 120.858      2.08591  121.554      2.9335   120.147      2.96662  11.0189  0.133112  10.9547  0.135404  
1 1 1 35 22 5  o 11.1284  0.0966648 123.918      2.15145  121.604      3.03836  126.245      3.04689  11.0205  0.137851  11.229   0.13567   
1 1 1 35 22 6  o 3.54588  0.0987887 12.5817      0.700586 11.8081      0.968797 13.4297      1.01433  3.43392  0.141063  3.66222  0.138486  
1 1 1 35 22 7  o 3.51313  0.0962811 12.3504      0.676496 12.4664      0.958927 12.2355      0.95451  3.52837  0.135888  3.49553  0.136533  
1 1 1 35 22 8  o 1.59188  0.188183  2.54108      0.599128 1.7503       0.843728 3.34538      0.850908 1.29247  0.326184  1.82513  0.233109  
1 1 1 35 22 9  o 9.45403  0.0860485 89.4355      1.62701  89.4913      2.29363  89.379       2.30831  9.45398  0.121305  9.44796  0.122159  
1 1 1 35 22 10 o 7.78937  0.0850677 60.7166      1.32525  60.7002      1.85171  60.7339      1.89749  7.78574  0.118917  7.78764  0.121827  
1 1 1 35 22 11 o 3.72872  0.0892726 13.9151      0.665745 13.5449      0.948415 14.2747      0.934744 3.67712  0.128962  3.77515  0.123802  
1 1 1 35 22 12 o 5.60216  0.0775858 31.4054      0.869297 32.218       1.20792  30.5324      1.25201  5.67248  0.106472  5.52163  0.113373  
1 1 1 35 22 13 o 5.44617  0.0798311 29.6839      0.869547 29.9923      1.22369  29.3693      1.23585  5.47232  0.111807  5.41501  0.114113  
1 1 1 35 22 14 o 6.99015  0.0749562 48.8998      1.04791  49.8911      1.49085  47.9318      1.47324  7.05798  0.105615  6.91792  0.10648   
1 1 1 35 22 15 o 4.49405  0.0760142 20.2137      0.683224 21.3747      1.00491  19.2158      0.931687 4.61922  0.108775  4.37989  0.10636   
1 1 1 35 22 16 o 3.85216  0.0848241 14.8566      0.653513 14.188       0.885826 15.6551      0.968051 3.76241  0.117721  3.95176  0.122483  
1 1 1 35 22 17 o 1.60273  0.182796  2.58444      0.585948 1.93481      0.801239 3.33127      0.859093 1.3534   0.303533  1.81589  0.236549  
1 1 1 35 22 18 f 5.26479  0.0803515 27.754       0.846068 27.4436      1.17034  28.0939      1.22454  5.23211  0.111842  5.29328  0.11567   
1 1 1 35 22 19 o 4.75251  0.0827132 22.6201      0.786191 22.1064      1.11256  23.1324      1.11112  4.6946   0.118494  4.80265  0.115678  
1 1 1 35 22 20 o 3.90494  0.0919715 15.2805      0.718286 13.5363      0.998124 17.1541      1.03447  3.67079  0.135955  4.13375  0.125125  
1 1 1 35 22 21 o 1.53764  0.215418  2.39538      0.662469 2.19406      0.896199 2.6379       0.98364  1.43355  0.320674  1.57404  0.323556  
1 1 1 35 22 22 o 1.44714  0.22188   2.1263       0.642183 1.19517      0.883932 3.16712      0.934548 1.08657  0.354447  1.76033  0.265447  
1 1 1 35 22 23 o 3.45549  0.113586  11.995       0.784993 11.8595      1.11062  12.1303      1.10967  3.42776  0.162004  3.46705  0.160031  
1 1 1 35 22 24 o 1.12132  0.302655  1.34336      0.694562 1.14244      0.97922  1.5468       0.985328 1.08169  0.372835  1.20852  0.371651  
1 1 1 35 22 25 o 2.07317  0.177479  4.35218      0.73589  3.83562      1.02725  4.89672      1.0547   1.93115  0.265969  2.18739  0.241086  
1 1 1 35 22 26 o 1.76064  0.19974   3.16132      0.703338 4.06998      1.0195   2.33608      0.971574 1.98539  0.25675   1.4607   0.33885   
1 1 1 35 22 27 o 1.87504  0.196701  3.59032      0.737647 2.86431      1.03285  4.34615      1.05385  1.61893  0.330427  2.04778  0.257314  
1 1 1 35 22 28 o 1.84444  0.214459  3.49626      0.791115 3.31456      1.07929  3.70724      1.163    1.74358  0.321575  1.87151  0.310714  
1 1 1 35 22 29 o 3.88748  0.122104  15.266       0.949352 15.7737      1.34679  14.7646      1.33842  3.93252  0.171237  3.80256  0.17599   
1 1 1 35 22 30 o 3.35339  0.141295  11.4153      0.947635 12.7397      1.28976  9.86156      1.39697  3.52481  0.182955  3.08083  0.226719  
1 1 1 35 22 31 o 0.554911 0.26681   -1.13771     0.865116 -1.30052     1.22165  -0.973939    1.22527  0.680563 0.324747  0.717393 0.336461  
1 1 1 35 22 32 o 1.99735  0.218388  4.18371      0.872398 4.30764      1.24613  4.06458      1.22174  1.97835  0.314943  1.91991  0.318177  
1 1 1 35 22 33 o 1.13552  0.352393  1.5204       0.883152 0.406415     1.21135  2.78437      1.29032  0.897142 0.382601  1.48817  0.416978  
1 1 1 35 22 34 o 0.862757 0.340333  0.672677     0.86395  -0.419028    1.22348  1.75843      1.22014  0.760411 0.349447  1.18455  0.415418  
1 1 1 35 22 35 o 0.718786 0.315843  0.0990012    0.873868 -0.977977    1.25636  1.10837      1.21629  0.688505 0.328725  0.995327 0.399877  
1 1 1 35 22 36 o 0.757923 0.322711  0.363443     0.859354 0.133271     1.21818  0.59146      1.21246  0.801732 0.361023  0.87449  0.378074  
1 1 1 35 22 37 o 0.640841 0.29978   -0.33393     0.952271 -0.515981    1.42117  -0.185592    1.28285  0.735613 0.350836  0.742071 0.347358  
1 1 1 35 22 38 o 0.621731 0.292778  -0.320142    0.951944 0.713925     1.37509  -1.2718      1.31916  0.830666 0.377736  0.622927 0.306417  
1 1 1 35 22 39 o 0.569966 0.275799  -0.682218    0.967867 -0.780978    1.41175  -0.594631    1.3295   0.656845 0.32132   0.657427 0.319456  
1 1 1 35 23 0  o 1.57718  0.262102  2.68935      0.757945 2.68935      0.757945 2.68935      0.757945 1.61269  0.170528  ?        ?         
1 1 1 35 23 1  o 7.71987  0.0757759 59.6188      1.16996  58.1987      1.62004  61.1668      1.69141  7.62595  0.106219  7.81788  0.108176  
1 1 1 35 23 2  o 16.1449  0.118389  260.9        3.82273  257.095      5.40072  264.72       5.41161  16.0188  0.168574  16.255   0.16646   
1 1 1 35 23 3  o 3.3554   0.0778303 11.2633      0.522303 11.1445      0.768914 11.3651      0.711695 3.33682  0.115217  3.36992  0.105595  
1 1 1 35 23 4  o 1.29193  0.232992  1.72732      0.580021 1.78511      0.81584  1.66825      0.824779 1.30543  0.31552   1.26295  0.324762  
1 1 1 35 23 5  o 7.39794  0.0802208 54.7553      1.18694  54.6675      1.64071  54.8516      1.71921  7.39038  0.111003  7.4025   0.116124  
1 1 1 35 23 6  o 10.1158  0.0896093 102.393      1.81294  100.543      2.51573  104.392      2.61492  10.021   0.125524  10.2107  0.128048  
1 1 1 35 23 7  o 5.38527  0.075829  29.0149      0.81672  29.195       1.15562  28.8351      1.15442  5.40068  0.106988  5.36726  0.107543  
1 1 1 35 23 8  o 6.12531  0.075553  37.5386      0.92557  35.8017      1.25598  39.603       1.36925  5.98048  0.105007  6.28973  0.108848  
1 1 1 35 23 9  o 4.915    0.0826477 24.1738      0.812428 24.0238      1.18411  24.3072      1.11674  4.89785  0.12088   4.92709  0.113327  
1 1 1 35 23 10 o 8.22599  0.0818842 67.7153      1.34716  67.7766      1.91035  67.6546      1.90003  8.22677  0.116106  8.21942  0.115582  
1 1 1 35 23 11 o 6.11642  0.0797447 37.4373      0.975504 36.3635      1.42441  38.3858      1.33872  6.02546  0.118199  6.19155  0.108108  
1 1 1 35 23 12 o 5.66625  0.0819549 32.1328      0.928754 34.2218      1.44228  30.6528      1.21395  5.84448  0.123388  5.53241  0.109712  
1 1 1 35 23 13 f 8.77493  0.0877056 77.08        1.53922  78.3868      2.27699  75.9803      2.08875  8.84367  0.128735  8.70816  0.119931  
1 1 1 35 23 14 o 6.19121  0.0716862 38.3599      0.88765  40.4511      1.33032  36.6817      1.19173  6.355    0.104667  6.05223  0.098454  
1 1 1 35 23 15 o 1.84919  0.143772  3.43078      0.531724 3.76487      0.74637  3.08647      0.757699 1.93453  0.192907  1.75024  0.216456  
1 1 1 35 23 16 f 9.30354  0.0873426 86.6736      1.62519  84.7108      2.23661  88.8692      2.36555  9.19167  0.121665  9.41375  0.125643  
1 1 1 35 23 17 o 2.20292  0.131531  4.8694       0.579505 5.01656      0.823005 4.72469      0.816126 2.23232  0.184339  2.16608  0.188387  
1 1 1 35 23 18 o 2.1475   0.139744  4.63075      0.600202 5.05879      0.821877 4.14159      0.878586 2.24131  0.183348  2.02514  0.21692   
1 1 1 35 23 19 o 2.94118  0.111555  8.67591      0.656204 8.1306       0.920748 9.23877      0.935451 2.84265  0.161952  3.03104  0.154312  
1 1 1 35 23 20 o 1.68406  0.185298  2.86254      0.624103 3.32598      0.909831 2.45069      0.857704 1.80836  0.251563  1.52423  0.291761  
1 1 1 35 23 21 o 3.37642  0.109569  11.4411      0.739903 11.8601      1.04182  11.0147      1.05101  3.43211  0.151775  3.30645  0.158933  
1 1 1 35 23 22 o 1.33354  0.248429  1.87019      0.637879 2.36634      0.893227 1.35384      0.911237 1.48829  0.310271  1.14067  0.35875   
1 1 1 35 23 23 o 4.8588   0.0989986 23.6911      0.962029 23.305       1.36781  24.069       1.35333  4.80995  0.142186  4.8891   0.138403  
1 1 1 35 23 24 o 3.18873  0.122558  10.2275      0.781607 10.4966      1.12354  9.97508      1.08803  3.2208   0.17442   3.14001  0.173253  
1 1 1 35 23 25 o 1.52006  0.237213  2.36634      0.721158 1.94123      1.01498  2.79975      1.02484  1.33287  0.368608  1.60944  0.329743  
1 1 1 35 23 26 o 1.99952  0.177031  4.06166      0.707953 4.49102      0.987093 3.60686      1.01592  2.08984  0.236165  1.86439  0.272455  
1 1 1 35 23 27 o 2.23242  0.180471  5.07738      0.805775 5.66755      1.09312  4.37513      1.19242  2.34405  0.233169  2.04189  0.291989  
1 1 1 35 23 28 o 2.68863  0.159702  7.34484      0.858757 7.15567      1.17377  7.56272      1.25971  2.63372  0.222836  2.70375  0.232956  
1 1 1 35 23 29 o 3.97052  0.125778  15.9489      0.998806 17.3986      1.42807  14.5607      1.39748  4.12603  0.173056  3.76856  0.185412  
1 1 1 35 23 30 o 4.08674  0.119556  16.885       0.977188 17.7265      1.35736  15.9795      1.40793  4.16797  0.162832  3.94944  0.178245  
1 1 1 35 23 31 o 2.27983  0.19159   5.36599      0.873584 3.6543       1.20109  7.28851      1.2729   1.79608  0.346739  2.63254  0.241764  
1 1 1 35 23 32 o 0.690318 0.308706  -0.186992    0.876602 0.100028     1.33321  -0.405575    1.16346  0.883913 0.389251  0.758284 0.345524  
1 1 1 35 23 33 o 1.45102  0.323299  2.45409      0.91391  2.07636      1.2778   2.84967      1.30765  1.28422  0.426159  1.49832  0.419751  
1 1 1 35 23 34 o 0.926927 0.346862  0.923462     0.866358 1.27859      1.16832  0.489624     1.29132  1.05086  0.400315  0.907635 0.39126   
1 1 1 35 23 35 o 0.926913 0.349048  0.981397     0.880032 0.0857223    1.28146  1.78083      1.21066  0.821187 0.370005  1.14908  0.412704  
1 1 1 35 23 36 o 0.864992 0.345762  0.829815     0.902846 0.352857     1.25628  1.33929      1.2984   0.828779 0.370121  1.00614  0.409587  
1 1 1 35 23 37 o 1.38331  0.357409  2.67373      0.995601 1.70661      1.3965   3.67334      1.41977  1.03777  0.424003  1.50123  0.442929  
1 1 1 35 23 38 o 0.719169 0.321637  0.408285     0.951772 -1.38795     1.38657  2.00872      1.30881  0.618671 0.305597  1.02165  0.413001  
1 1 1 35 23 39 o 0.672858 0.309537  0.201523     0.962768 -1.04822     1.42453  1.25237      1.30626  0.633793 0.312268  0.854771 0.37973   
1 1 1 35 24 0  o 13.0193  0.148964  169.707      3.87768  169.707      3.87768  169.707      3.87768  13.0232  0.105286  ?        ?         
1 1 1 35 24 1  o 1.92316  0.140244  3.70387      0.53942  4.26351      0.733662 3.04536      0.795837 2.0624   0.177866  1.74172  0.228463  
1 1 1 35 24 2  o 10.9872  0.0903091 120.791      1.98448  121.704      2.74598  119.794      2.87117  11.0255  0.124529  10.9379  0.131248  
1 1 1 35 24 3  o 5.64151  0.0738744 31.8398      0.833526 32.2312      1.17766  31.447       1.17991  5.6749   0.10376   5.60537  0.105248  
1 1 1 35 24 4  o 3.28206  0.0974944 10.78        0.639966 10.5533      0.897413 11.0146      0.912882 3.24611  0.138229  3.31632  0.137635  
1 1 1 35 24 5  o 11.0061  0.0974372 121.229      2.1448   117.313      2.96369  125.535      3.10786  10.8227  0.13692   11.1952  0.138803  
1 1 1 35 24 6  o 4.7425   0.0828987 22.505       0.786294 21.7632      1.11192  23.247       1.11206  4.66217  0.119249  4.81867  0.115391  
1 1 1 35 24 7  o 5.37586  0.0770016 28.9164      0.8279   28.2395      1.1347   29.6869      1.21065  5.31119  0.106821  5.44536  0.111163  
1 1 1 35 24 8  o 2.48718  0.121755  6.1956       0.605653 7.20613      0.873857 5.26145      0.840181 2.68076  0.162987  2.28982  0.18346   
1 1 1 35 24 9  o 3.82671  0.0837851 14.6548      0.641242 15.0188      0.906509 14.2903      0.907197 3.87254  0.117043  3.77731  0.120085  
1 1 1 35 24 10 o 4.27441  0.0814773 18.2844      0.696535 17.8916      0.98872  18.6714      0.981419 4.22655  0.116965  4.31785  0.113647  
1 1 1 35 24 11 o 3.11791  0.0992401 9.73322      0.618844 10.3859      0.886674 9.11333      0.864117 3.21894  0.137728  3.01499  0.143303  
1 1 1 35 24 12 o 5.18133  0.0815776 26.8705      0.845361 25.1364      1.20663  28.5422      1.18471  5.00868  0.120454  5.33802  0.110969  
1 1 1 35 24 13 o 1.83155  0.153904  3.36612      0.563765 2.84608      0.77491  3.95087      0.821715 1.68051  0.230557  1.98146  0.207351  
1 1 1 35 24 14 f 3.6234   0.0947492 13.1476      0.686629 13.6315      0.94585  12.6084      0.998356 3.68727  0.128259  3.54525  0.140802  
1 1 1 35 24 15 o 5.45249  0.0783223 29.7616      0.854103 29.8947      1.18118  29.6157      1.23648  5.46199  0.108128  5.43584  0.113734  
1 1 1 35 24 16 o 10.4273  0.0939954 108.913      1.96024  109.261      2.84281  108.598      2.70659  10.4342  0.136226  10.4041  0.130073  
1 1 1 35 24 17 o 6.77356  0.08095   45.9434      1.09664  47.5568      1.5003   44.0924      1.60695  6.88775  0.108911  6.6302   0.121184  
1 1 1 35 24 18 o 4.75458  0.0821871 22.6408      0.78153  22.7506      1.09217  22.5255      1.11882  4.76268  0.114659  4.73863  0.118053  
1 1 1 35 24 19 o 5.53134  0.0820137 30.6489      0.907292 30.3343      1.24349  31.007       1.32677  5.49864  0.113072  5.55823  0.119352  
1 1 1 35 24 20 o 4.19692  0.0909871 17.6562      0.763731 17.5545      1.07808  17.7587      1.08208  4.17986  0.128962  4.20414  0.128693  
1 1 1 35 24 21 o 2.89143  0.118049  8.39723      0.682659 7.52254      0.955998 9.3073       0.975138 2.72939  0.17513   3.03832  0.160473  
1 1 1 35 24 22 o 1.63703  0.207623  2.72148      0.679771 2.64054      0.942169 2.80936      0.981734 1.57283  0.310568  1.62255  0.313726  
1 1 1 35 24 23 o 5.46169  0.0946917 29.9279      1.03435  29.9935      1.43412  29.8568      1.49327  5.45929  0.131347  5.44529  0.137115  
1 1 1 35 24 24 o 0.611611 0.272129  -0.231001    0.673533 -1.40223     0.951566 0.944929     0.953476 0.574904 0.277251  1.01608  0.366123  
1 1 1 35 24 25 o 1.70707  0.207218  2.97622      0.707469 2.03373      0.966392 4.06466      1.03852  1.35974  0.352507  1.98287  0.261873  
1 1 1 35 24 26 o 2.31987  0.155528  5.4524       0.721608 4.57517      1.01627  6.34439      1.02479  2.10585  0.241298  2.49028  0.205759  
1 1 1 35 24 27 o 1.27048  0.305393  1.76768      0.767554 2.28699      1.04711  1.16457      1.12842  1.42952  0.36494   1.09589  0.397958  
1 1 1 35 24 28 o 1.18714  0.321771  1.55818      0.783032 0.544444     1.10725  2.57237      1.1075   0.93502  0.379091  1.50846  0.369514  
1 1 1 35 24 29 o 2.10203  0.213419  4.57017      0.897228 5.69378      1.29902  3.54515      1.24073  2.31862  0.280128  1.77171  0.362656  
1 1 1 35 24 30 o 0.855968 0.332332  0.588205     0.815398 1.36434      1.12929  -0.257159    1.17858  1.12921  0.399288  0.799337 0.357692  
1 1 1 35 24 31 f 3.09972  0.152947  9.82467      0.948185 10.057       1.35509  9.60178      1.32722  3.10103  0.21849   3.0297   0.219034  
1 1 1 35 24 32 o 0.976235 0.348138  1.02689      0.860124 2.3676       1.24869  -0.183585    1.18649  1.37713  0.417357  0.793955 0.356977  
1 1 1 35 24 33 o 1.40027  0.325891  2.30964      0.896379 2.337        1.26878  2.28237      1.26656  1.34775  0.42321   1.33275  0.423439  
1 1 1 35 24 34 o 0.812972 0.336893  0.487884     0.896226 1.55691      1.20871  -0.817557    1.33569  1.10926  0.41077   0.733133 0.345696  
1 1 1 35 24 35 o 2.41565  0.191001  6.24713      0.922781 5.56112      1.3003   6.94317      1.30977  2.17803  0.298504  2.47264  0.264852  
1 1 1 35 24 36 f 0.64834  0.298449  -0.204746    0.896617 -0.402019    1.28164  -0.0156512   1.2548   0.725115 0.340952  0.765782 0.352736  
1 1 1 35 24 37 o 0.768372 0.332862  0.498254     0.943393 0.685856     1.34171  0.314815     1.32674  0.853742 0.381851  0.801405 0.366442  
1 1 1 35 24 38 o 0.641081 0.29932   -0.0314191   0.943659 0.513339     1.3907   -0.49628     1.28467  0.772079 0.361451  0.657362 0.31803   
1 1 1 35 24 39 o 0.710589 0.322781  0.577299     0.998093 0.989851     1.51057  0.257624     1.3297   0.779574 0.367605  0.699164 0.334856  
1 1 1 35 25 0  o 1.99576  0.191484  4.09784      0.748153 4.09784      0.748153 4.09784      0.748153 2.01051  0.132897  ?        ?         
1 1 1 35 25 1  o 6.1433   0.0725434 37.7568      0.891312 37.5389      1.24007  37.9896      1.28198  6.12426  0.101243  6.16076  0.104044  
1 1 1 35 25 2  o 2.51221  0.104579  6.31707      0.52545  6.29929      0.727888 6.33641      0.759303 2.50757  0.145138  2.51477  0.150969  
1 1 1 35 25 3  o 9.05673  0.0838696 82.075       1.51917  79.2531      2.10731  85.1285      2.19206  8.89693  0.118429  9.22077  0.118865  
1 1 1 35 25 4  o 10.4542  0.0958408 109.383      2.00388  107.171      2.74924  111.89       2.92693  10.344   0.132891  10.5685  0.138474  
1 1 1 35 25 5  o 6.10775  0.0773721 37.3263      0.945139 37.3881      1.35583  37.2678      1.31822  6.11095  0.110934  6.1013   0.108028  
1 1 1 35 25 6  o 6.01315  0.0776816 36.1804      0.934221 36.4381      1.29903  35.9045      1.34452  6.03282  0.107664  5.98817  0.112265  
1 1 1 35 25 7  o 2.03147  0.136522  4.13506      0.554678 3.67203      0.803723 4.55616      0.766469 1.91178  0.210203  2.13086  0.17985   
1 1 1 35 25 8  o 8.45618  0.0833682 71.5621      1.40995  69.2652      2.09155  73.4754      1.9089   8.31528  0.125765  8.56588  0.111424  
1 1 1 35 25 9  o 8.22109  0.0798076 67.6366      1.31221  67.6858      1.85814  67.5876      1.85336  8.22098  0.113012  8.21504  0.112803  
1 1 1 35 25 10 o 2.55321  0.103439  6.52768      0.528201 5.71739      0.71468  7.50308      0.784117 2.38773  0.149657  2.73563  0.143316  
1 1 1 35 25 11 o 2.81396  0.102897  7.92986      0.579096 7.87224      0.800802 7.99302      0.838425 2.80183  0.142907  2.82293  0.148503  
1 1 1 35 25 12 o 4.69995  0.0791928 22.1096      0.744404 21.6125      1.01531  22.6875      1.09465  4.64486  0.109294  4.75853  0.11502   
1 1 1 35 25 13 o 2.87675  0.106784  8.29047      0.614381 8.07158      0.835129 8.5487       0.907053 2.83618  0.147228  2.91823  0.155411  
1 1 1 35 25 14 o 6.6972   0.0781165 44.8999      1.04632  44.5343      1.44419  45.3039      1.51803  6.66659  0.108315  6.72336  0.112892  
1 1 1 35 25 15 o 4.76474  0.0759478 22.7275      0.723742 22.9132      1.01086  22.5322      1.03668  4.78171  0.105701  4.74145  0.109321  
1 1 1 35 25 16 o 5.75874  0.0811362 33.2076      0.934484 33.7653      1.3542   32.7006      1.29117  5.80277  0.116686  5.71104  0.113042  
1 1 1 35 25 17 o 3.37717  0.0943912 11.4277      0.637551 10.746       0.881529 12.1754      0.923178 3.2716   0.134724  3.48261  0.132541  
1 1 1 35 25 18 o 3.85794  0.0900953 14.9137      0.695165 15.2568      0.97211  14.5546      0.994495 3.89851  0.124677  3.80703  0.130613  
1 1 1 35 25 19 o 2.63656  0.117292  6.97825      0.618493 6.96212      0.852316 6.9962       0.898905 2.629    0.162099  2.6344   0.170609  
1 1 1 35 25 20 o 4.43457  0.0894427 19.7135      0.79328  19.3579      1.12314  20.0674      1.1206   4.38879  0.127956  4.46894  0.125376  
1 1 1 35 25 21 o 4.34026  0.0890057 18.8887      0.772617 19.1254      1.09138  18.6509      1.09391  4.36153  0.125114  4.30674  0.127     
1 1 1 35 25 22 o 3.24595  0.116096  10.5871      0.753684 10.6839      1.06934  10.4915      1.06244  3.25277  0.164373  3.22327  0.164807  
1 1 1 35 25 23 o 4.05276  0.106303  16.498       0.861643 16.2701      1.17329  16.7649      1.26949  4.01677  0.146048  4.07505  0.155763  
1 1 1 35 25 24 o 2.31208  0.158504  5.404        0.732948 6.3219       1.04737  4.52311      1.02605  2.49042  0.21028   2.09957  0.244346  
1 1 1 35 25 25 o 0.760325 0.303096  0.346327     0.6919   0.326736     0.962054 0.367316     0.995809 0.852222 0.350678  0.872523 0.357524  
1 1 1 35 25 26 o 1.3485   0.275751  1.95994      0.718019 3.21961      1.03618  0.796355     0.995882 1.72361  0.312046  0.973054 0.36991   
1 1 1 35 25 27 o 1.87048  0.209282  3.59439      0.782916 2.29828      1.0676   5.10244      1.15158  1.42875  0.370557  2.21202  0.260301  
1 1 1 35 25 28 o 1.23161  0.320533  1.6885       0.797058 2.52107      1.12302  0.843401     1.13145  1.48573  0.377135  1.00557  0.391257  
1 1 1 35 25 29 f 0.767903 0.320636  0.227139     0.821425 -0.0315178   1.19742  0.457056     1.12894  0.845851 0.37071   0.916423 0.378836  
1 1 1 35 25 30 o 1.10755  0.344266  1.37398      0.842436 1.87098      1.17251  0.843643     1.2112   1.27     0.407811  1.01068  0.401609  
1 1 1 35 25 31 o 3.04223  0.15261   9.48505      0.92855  9.49524      1.35809  9.47611      1.27243  3.0007   0.226295  3.0075   0.211543  
1 1 1 35 25 32 o 2.02889  0.220024  4.36368      0.892808 5.15195      1.2769   3.60972      1.24881  2.15551  0.296194  1.73439  0.370832  
1 1 1 35 25 33 o 1.75597  0.256728  3.38125      0.901613 3.33035      1.28557  3.43051      1.26483  1.61914  0.399035  1.654    0.388534  
1 1 1 35 25 34 o 1.20841  0.356706  1.86573      0.920599 2.09135      1.28331  1.62652      1.32137  1.22743  0.426455  1.11251  0.425168  
1 1 1 35 25 35 o 2.51952  0.186178  6.81421      0.938161 5.99903      1.33964  7.59878      1.31425  2.24657  0.298152  2.58507  0.254199  
1 1 1 35 25 36 o 1.13406  0.362803  1.8397       0.928616 1.48126      1.32936  2.18128      1.29773  1.0021   0.412265  1.15727  0.42613   
1 1 1 35 25 37 o 1.06669  0.370379  1.81716      0.967878 1.03403      1.39489  2.54429      1.34409  0.874568 0.390303  1.16192  0.432585  
1 1 1 35 25 38 o 0.559066 0.270588  -0.69554     0.933729 -0.650492    1.35971  -0.735742    1.28449  0.657843 0.320508  0.637155 0.310623  
1 1 1 35 26 0  o 5.08269  0.103863  25.8797      1.05482  25.8797      1.05482  25.8797      1.05482  5.08496  0.073375  ?        ?         
1 1 1 35 26 1  o 8.6326   0.0786837 74.5672      1.35849  75.615       1.9555   73.5899      1.88863  8.6903   0.112511  8.57336  0.110145  
1 1 1 35 26 2  o 5.86691  0.0679614 34.4366      0.797446 33.629       1.09254  35.3574      1.16663  5.79648  0.0942413 5.94336  0.0981453 
1 1 1 35 26 3  o 7.82845  0.0736596 61.3188      1.15328  61.3476      1.65153  61.2915      1.61119  7.82802  0.105488  7.82465  0.102956  
1 1 1 35 26 4  o 6.75862  0.0733256 45.7047      0.99116  44.3474      1.38503  47.1295      1.41901  6.65563  0.10405   6.86127  0.103407  
1 1 1 35 26 5  o 5.88114  0.076116  34.6093      0.895298 34.5205      1.28558  34.6928      1.24756  5.87166  0.109473  5.88653  0.105968  
1 1 1 35 26 6  o 7.16718  0.0783684 51.4033      1.12336  52.116       1.62896  50.7571      1.55124  7.21406  0.112902  7.11973  0.108939  
1 1 1 35 26 7  o 10.7551  0.0948165 115.792      2.03953  116.546      2.99053  115.136      2.7887   10.7837  0.138659  10.7198  0.130073  
1 1 1 35 26 8  o 11.5633  0.098929  133.867      2.28788  137.849      3.35038  130.388      3.13178  11.7264  0.142857  11.4057  0.13729   
1 1 1 35 26 9  o 5.91721  0.081331  35.0435      0.962505 33.6629      1.30667  36.6812      1.42315  5.79718  0.112699  6.05105  0.117595  
1 1 1 35 26 10 o 2.1708   0.152916  4.72771      0.663902 4.87046      0.917971 4.57116      0.961327 2.20025  0.208606  2.13049  0.225612  
1 1 1 35 26 11 o 4.98632  0.0803174 24.8869      0.800976 26.0511      1.10732  23.6093      1.16002  5.09958  0.10857   4.85381  0.119496  
1 1 1 35 26 12 o 3.50041  0.0920267 12.2692      0.644263 12.8208      0.895839 11.6784      0.927221 3.57615  0.125252  3.41235  0.135863  
1 1 1 35 26 13 o 3.13723  0.0976068 9.85842      0.61243  9.82292      0.864565 9.89418      0.867658 3.12896  0.138155  3.14029  0.138149  
1 1 1 35 26 14 o 7.52506  0.0820617 56.6982      1.23504  56.6052      1.76587  56.7872      1.72796  7.51389  0.117507  7.5264   0.114794  
1 1 1 35 26 15 o 2.28196  0.115006  5.22127      0.524879 5.51904      0.778621 4.97325      0.710615 2.34275  0.166176  2.22437  0.159734  
1 1 1 35 26 16 o 3.96257  0.0846152 15.7263      0.670586 17.0314      1.02839  14.7608      0.884495 4.12002  0.124804  3.83651  0.115274  
1 1 1 35 26 17 o 5.59305  0.077348  31.3271      0.865222 30.9158      1.21281  31.7534      1.2347   5.55225  0.109218  5.62689  0.109714  
1 1 1 35 26 18 o 4.39333  0.0825625 19.3373      0.725448 18.1447      0.993242 20.701       1.06209  4.2518   0.116803  4.54142  0.116934  
1 1 1 35 26 19 f 6.38677  0.0797469 40.868       1.01865  42.8906      1.46605  38.98        1.41641  6.53696  0.112135  6.23152  0.113649  
1 1 1 35 26 20 o 4.06306  0.0918327 16.5537      0.746243 16.2658      1.03128  16.8703      1.08118  4.02219  0.128199  4.09559  0.131994  
1 1 1 35 26 21 o 2.03471  0.162313  4.17936      0.66052  4.00069      0.965888 4.33632      0.905287 1.97891  0.244045  2.06446  0.219255  
1 1 1 35 26 22 o 1.0778   0.30589   1.23525      0.690062 0.719104     0.971644 1.76053      0.980201 0.959283 0.365174  1.27749  0.36521   
1 1 1 35 26 23 o 1.87081  0.191643  3.55155      0.717056 4.01698      0.966329 2.98127      1.06967  1.98048  0.243963  1.66325  0.333317  
1 1 1 35 26 24 o 2.22655  0.163599  5.02359      0.728522 5.50029      1.04537  4.57345      1.01583  2.31628  0.225658  2.10852  0.240888  
1 1 1 35 26 25 o 3.70404  0.108423  13.8078      0.803205 13.1016      1.11771  14.5619      1.15502  3.59595  0.155412  3.79203  0.152296  
1 1 1 35 26 26 o 2.5      0.153543  6.33794      0.767717 7.70955      1.09004  4.98788      1.08144  2.74442  0.198592  2.19384  0.246473  
1 1 1 35 26 27 o 3.10063  0.142877  9.74411      0.886021 9.83214      1.23046  9.64932      1.27688  3.09521  0.198768  3.06238  0.208478  
1 1 1 35 26 28 o 2.81397  0.153815  8.05917      0.86566  6.77538      1.18808  9.51203      1.26389  2.55157  0.232812  3.03518  0.208208  
1 1 1 35 26 29 o 3.26683  0.142118  10.8469      0.928552 11.8196      1.35847  9.99394      1.27212  3.38319  0.200768  3.10907  0.204582  
1 1 1 35 26 30 o 1.3541   0.32108   2.07822      0.857468 2.91207      1.20078  1.21058      1.22486  1.57419  0.384234  1.09378  0.411812  
1 1 1 35 26 31 o 0.49225  0.242034  -1.50176     0.821567 -1.81669     1.14455  -1.16701     1.18001  0.594261 0.290381  0.668686 0.3191    
1 1 1 35 26 32 f 1.25885  0.338976  1.88633      0.872545 2.14267      1.28268  1.66554      1.19041  1.29774  0.426973  1.17069  0.410346  
1 1 1 35 26 33 o 1.61888  0.288855  3.02369      0.901592 3.29966      1.27259  2.74558      1.27751  1.59776  0.399012  1.43529  0.419098  
1 1 1 35 26 34 o 3.04032  0.168088  9.73768      1.02208  8.38045      1.41042  11.2386      1.48321  2.72869  0.258443  3.19452  0.232149  
1 1 1 35 26 35 o 0.752286 0.328598  0.305542     0.934334 -0.15315     1.38498  0.688659     1.26575  0.783667 0.364623  0.880079 0.383457  
1 1 1 35 26 36 f 1.17993  0.365855  2.01768      0.952194 1.64871      1.33212  2.40316      1.36158  1.02732  0.416097  1.18965  0.436639  
1 1 1 35 26 37 o 1.2334   0.363842  2.40297      0.958108 3.03271      1.37612  1.81051      1.33476  1.2297   0.440168  0.977368 0.408452  
1 1 1 35 26 38 o 0.740865 0.327244  0.62566      0.95157  -0.0237113   1.4183   1.15727      1.28326  0.712302 0.342275  0.840217 0.374683  
1 1 1 35 27 0  o 0.921637 0.379201  1.19761      0.688269 1.19761      0.688269 1.19761      0.688269 0.990792 0.283638  ?        ?         
1 1 1 35 27 1  o 5.1895   0.0693577 26.945       0.719864 25.6197      0.977186 28.5177      1.06449  5.05904  0.0965781 5.33733  0.0997213 
1 1 1 35 27 2  o 4.16498  0.0717942 17.3568      0.598043 17.6635      0.823947 17.0154      0.869403 4.20059  0.098075  4.12248  0.105447  
1 1 1 35 27 3  o 7.49953  0.0744628 56.2773      1.11687  56.0333      1.58807  56.5162      1.57106  7.48088  0.106142  7.51319  0.104553  
1 1 1 35 27 4  o 3.39019  0.090612  11.504       0.614383 11.6031      0.875572 11.4079      0.862319 3.40315  0.128641  3.37445  0.127772  
1 1 1 35 27 5  o 8.26487  0.0830419 68.3625      1.37266  67.9347      1.95616  68.7775      1.92664  8.23551  0.118764  8.28672  0.116249  
1 1 1 35 27 6  o 4.61192  0.0801586 21.2863      0.739371 20.854       0.982603 21.8506      1.12258  4.56342  0.107661  4.67037  0.120181  
1 1 1 35 27 7  o 3.15902  0.110876  9.99502      0.700521 10.661       0.986587 9.31789      0.994837 3.26035  0.151301  3.04734  0.16323   
1 1 1 35 27 8  o 7.20349  0.0839077 51.9398      1.20886  53.1314      1.69399  50.7034      1.72561  7.28244  0.116306  7.11353  0.121291  
1 1 1 35 27 9  o 4.67641  0.08808   21.8929      0.823796 21.4799      1.13618  22.3507      1.19618  4.62967  0.122707  4.72225  0.126653  
1 1 1 35 27 10 o 4.89186  0.0879407 23.9579      0.860387 23.6148      1.1938   24.3286      1.24112  4.85398  0.122971  4.92652  0.125963  
1 1 1 35 27 11 o 3.92017  0.0959457 15.3904      0.752248 14.6777      1.0915   16.0351      1.03818  3.82487  0.142685  3.99895  0.129806  
1 1 1 35 27 12 o 5.37369  0.0746124 28.9045      0.801887 29.1087      1.09556  28.6689      1.17688  5.39037  0.101622  5.34866  0.110016  
1 1 1 35 27 13 f 5.45965  0.0801535 29.8438      0.87522  31.009       1.20955  28.5633      1.26801  5.56239  0.108726  5.33738  0.118786  
1 1 1 35 27 14 o 4.79353  0.0798609 23.0075      0.765632 24.1273      1.09207  21.9252      1.07369  4.90585  0.111303  4.67625  0.114803  
1 1 1 35 27 15 o 4.6501   0.0869278 21.6584      0.808447 22.5808      1.15185  20.7629      1.13497  4.74451  0.121388  4.54913  0.124746  
1 1 1 35 27 16 o 2.74978  0.0975254 7.57822      0.536346 7.71337      0.772577 7.45249      0.745181 2.77096  0.139406  2.72393  0.136784  
1 1 1 35 27 17 o 4.11977  0.0847067 17.0048      0.697943 17.9627      0.971067 15.9812      1.00383  4.2309   0.114759  3.98933  0.125814  
1 1 1 35 27 18 o 1.97681  0.141805  3.93064      0.560645 4.13381      0.797859 3.73247      0.787975 2.02185  0.197309  1.92033  0.205167  
1 1 1 35 27 19 o 2.46217  0.123328  6.09139      0.607306 5.85293      0.850922 6.33897      0.867026 2.40733  0.176736  2.50581  0.173003  
1 1 1 35 27 20 o 4.46191  0.0875833 19.9628      0.781578 20.185       1.1075   19.7425      1.10315  4.48057  0.123589  4.43101  0.12448   
1 1 1 35 27 21 o 4.12557  0.0973443 17.0779      0.803202 17.2148      1.16839  16.9553      1.10598  4.1342   0.141307  4.10425  0.134736  
1 1 1 35 27 22 o 2.07433  0.176806  4.35622      0.733507 4.38566      1.02697  4.32557      1.04802  2.069    0.24818   2.05337  0.255196  
1 1 1 35 27 23 f 3.21202  0.119977  10.3842      0.770738 10.1546      1.03327  10.6721      1.15721  3.16762  0.163098  3.24356  0.178385  
1 1 1 35 27 24 o 1.02386  0.309407  1.11406      0.68693  1.57454      0.971424 0.653512     0.971508 1.20543  0.368677  0.933607 0.362696  
1 1 1 35 27 25 o 3.86421  0.107041  15.031       0.827261 15.5957      1.16118  14.4489      1.17886  3.92433  0.147947  3.7746   0.156158  
1 1 1 35 27 26 o 1.324    0.295784  1.91451      0.763297 3.22669      1.06933  0.551371     1.0899   1.71714  0.32323   0.934432 0.377237  
1 1 1 35 27 27 o 3.22064  0.142398  10.5239      0.917224 11.182       1.31894  9.9076       1.27641  3.29692  0.200026  3.10083  0.205817  
1 1 1 35 27 28 o 1.2383   0.318961  1.71249      0.794582 2.62876      1.12627  0.804507     1.12116  1.51463  0.373628  0.990894 0.388667  
1 1 1 35 27 29 o 0.821396 0.3293    0.459244     0.822358 0.383837     1.15978  0.535492     1.16622  0.902715 0.379178  0.935099 0.385663  
1 1 1 35 27 30 o 3.40524  0.142425  11.8402      0.969987 10.9353      1.36582  12.761       1.3778   3.23306  0.211226  3.50284  0.196669  
1 1 1 35 27 31 o 0.651374 0.295545  -0.285758    0.831817 -0.807461    1.16956  0.248266     1.18329  0.702667 0.329404  0.861628 0.373019  
1 1 1 35 27 32 o 0.73996  0.312926  0.24713      0.79877  0.763695     1.12314  -0.281559    1.13624  0.936417 0.381029  0.753433 0.342816  
1 1 1 35 27 33 o 0.870616 0.347338  0.732089     0.909293 0.712176     1.29183  0.751643     1.28012  0.930838 0.395982  0.936181 0.396038  
1 1 1 35 27 34 o 2.41229  0.193953  6.25039      0.935742 5.13807      1.36945  7.22456      1.28159  2.05223  0.33365   2.53243  0.253036  
1 1 1 35 27 35 o 0.999062 0.362506  1.37943      0.936156 1.02676      1.32663  1.72924      1.32124  0.927906 0.398202  1.06271  0.420346  
1 1 1 35 27 36 o 0.920698 0.353937  1.18321      0.920081 1.30985      1.35181  1.0739       1.25587  0.94795  0.404219  0.904117 0.387696  
1 1 1 35 27 37 f 0.885225 0.3509    1.26655      0.922575 1.01098      1.29946  1.52631      1.31005  0.827296 0.372685  0.907031 0.392579  
1 1 1 35 27 38 f 0.714347 0.321074  0.640923     0.959011 -0.209738    1.33067  1.56029      1.38336  0.653978 0.318345  0.843495 0.382006  
1 1 1 35 28 0  o 3.98339  0.102416  15.9085      0.814704 15.9085      0.814704 15.9085      0.814704 3.98597  0.0723174 ?        ?         
1 1 1 35 28 1  o 1.90944  0.126749  3.65283      0.48404  4.40374      0.686298 2.90959      0.682786 2.0952   0.163779  1.70172  0.200616  
1 1 1 35 28 2  o 11.2358  0.0872952 126.358      1.96166  128.116      2.76434  124.574      2.78419  11.3088  0.122221  11.1509  0.124842  
1 1 1 35 28 3  o 1.58914  0.146397  2.53191      0.46529  2.96275      0.648571 2.07502      0.667893 1.71755  0.188807  1.43578  0.232589  
1 1 1 35 28 4  o 1.54997  0.165981  2.41065      0.514531 2.69927      0.74786  2.15123      0.709007 1.63762  0.228337  1.46134  0.242587  
1 1 1 35 28 5  o 4.49108  0.0764828 20.1851      0.686981 20.5834      1.01423  19.8474      0.93382  4.53322  0.111866  4.45187  0.104879  
1 1 1 35 28 6  o 3.97634  0.0935507 15.8301      0.743979 15.9853      1.04754  15.6721      1.05681  3.9935   0.131156  3.95402  0.133638  
1 1 1 35 28 7  o 4.0839   0.0897355 16.6971      0.732942 17.5612      1.05851  15.9012      1.01588  4.1859   0.126437  3.98307  0.127525  
1 1 1 35 28 8  o 4.34832  0.0891829 18.9298      0.775592 19.1154      1.11384  18.7552      1.08062  4.3669   0.127532  4.32576  0.124905  
1 1 1 35 28 9  o 4.0811   0.0911225 16.6765      0.743759 15.5892      1.05392  17.7553      1.04977  3.94287  0.133648  4.20863  0.124716  
1 1 1 35 28 10 o 3.53214  0.100644  12.4967      0.710979 12.4366      1.00029  12.5581      1.01075  3.52068  0.142059  3.53777  0.142851  
1 1 1 35 28 11 o 4.69355  0.087228  22.0591      0.818818 22.8182      1.18329  21.3616      1.13423  4.77032  0.124026  4.61567  0.122868  
1 1 1 35 28 12 o 8.16883  0.0909331 66.8345      1.48564  71.0671      2.12397  62.7801      2.07877  8.41743  0.126165  7.91044  0.131394  
1 1 1 35 28 13 o 3.12176  0.091355  9.76182      0.570377 9.44808      0.784389 10.1138      0.830887 3.06874  0.127803  3.17477  0.130858  
1 1 1 35 28 14 o 1.15286  0.248744  1.3981       0.557201 1.18741      0.770416 1.62918      0.806847 1.07451  0.328263  1.23982  0.322414  
1 1 1 35 28 15 o 1.12456  0.251647  1.33322      0.551735 1.59085      0.74049  1.0117       0.827239 1.2243   0.303535  1.0209   0.342892  
1 1 1 35 28 16 o 3.5637   0.086372  12.7246      0.615607 12.5914      0.833459 12.8845      0.913196 3.54209  0.117651  3.58198  0.127471  
1 1 1 35 28 17 o 3.48232  0.0917072 12.1557      0.638708 13.1681      0.890097 11.0811      0.917046 3.62104  0.122906  3.31985  0.138115  
1 1 1 35 28 18 o 1.42882  0.192489  2.06492      0.550064 2.39714      0.778823 1.73426      0.776996 1.53299  0.25402   1.27343  0.308     
1 1 1 35 28 19 o 2.53749  0.121708  6.47148      0.617668 5.97756      0.841846 7.0474       0.909049 2.43236  0.173051  2.64122  0.172089  
1 1 1 35 28 20 o 0.759556 0.289746  0.424756     0.612751 -0.98175     0.854643 1.91255      0.878992 0.580452 0.27477   1.33112  0.331126  
1 1 1 35 28 21 o 2.33677  0.14759   5.50649      0.689767 6.71354      1.01635  4.47579      0.939172 2.57168  0.197604  2.09532  0.224112  
1 1 1 35 28 22 o 2.41763  0.137547  5.89003      0.665076 5.92938      0.943641 5.85119      0.937508 2.41609  0.195283  2.4001   0.195306  
1 1 1 35 28 23 f 2.70324  0.141453  7.38079      0.764763 7.46885      1.05863  7.28467      1.106    2.70722  0.195521  2.67059  0.20707   
1 1 1 35 28 24 o 2.50082  0.149271  6.33148      0.746598 5.81209      1.03353  6.89831      1.07968  2.37974  0.217151  2.59534  0.208004  
1 1 1 35 28 25 o 2.49244  0.155816  6.30283      0.776723 6.30137      1.11227  6.30422      1.08514  2.47283  0.224898  2.47522  0.2192    
1 1 1 35 28 26 o 1.17111  0.327382  1.5157       0.796295 0.772691     1.099    2.33689      1.15538  0.985345 0.38515   1.43156  0.392127  
1 1 1 35 28 27 o 3.38839  0.129617  11.6261      0.878388 11.4686      1.26123  11.7745      1.22406  3.34218  0.188684  3.3902   0.180529  
1 1 1 35 28 28 o 3.54811  0.128564  12.7562      0.912321 10.9187      1.23548  14.9598      1.35294  3.25765  0.189627  3.81998  0.177088  
1 1 1 35 28 29 o 0.575115 0.271076  -0.802127    0.819707 0.279275     1.15672  -1.89301     1.16178  0.879373 0.374413  0.601033 0.293444  
1 1 1 35 28 30 o 3.07608  0.14728   9.69625      0.906087 9.40783      1.2424   10.024       1.32433  2.99437  0.207455  3.08581  0.214583  
1 1 1 35 28 31 o 1.99045  0.214955  4.19578      0.855717 5.2943       1.19069  3.02233      1.23063  2.19997  0.270616  1.56226  0.393734  
1 1 1 35 28 32 o 0.817558 0.326852  0.570419     0.806971 0.457317     1.12637  0.689693     1.15669  0.866544 0.369226  0.918716 0.381845  
1 1 1 35 28 33 o 2.49371  0.19358   6.65179      0.965464 6.88222      1.4736   6.47849      1.27795  2.42428  0.303924  2.39219  0.26711   
1 1 1 35 28 34 o 0.996041 0.357652  1.29156      0.909163 1.12572      1.31315  1.44424      1.26     0.970787 0.40538   1.03277  0.40986   
1 1 1 35 28 35 o 1.2435   0.373724  2.24881      1.00405  1.27844      1.37724  3.34959      1.46687  0.962482 0.409135  1.40047  0.456601  
1 1 1 35 28 36 o 0.527078 0.257198  -0.959515    0.888153 -0.13755     1.24454  -1.81258     1.26786  0.702498 0.332086  0.569153 0.283172  
1 1 1 35 28 37 o 0.625193 0.295016  -0.217198    0.976235 0.137485     1.34335  -0.614152    1.42114  0.728706 0.34473   0.672353 0.327593  
1 1 1 35 29 0  o 0.605143 0.35081   0.468022     0.680093 0.468022     0.680093 0.468022     0.680093 0.569271 0.307391  ?        ?         
1 1 1 35 29 1  o 7.21779  0.0720782 52.1322      1.04049  51.0611      1.47177  53.2025      1.47119  7.1407   0.103055  7.28911  0.100917  
1 1 1 35 29 2  f 6.92884  0.0702963 48.0406      0.974145 47.8484      1.35573  48.2457      1.40067  6.91282  0.0980588 6.94119  0.100896  
1 1 1 35 29 3  o 5.20214  0.0710612 27.0809      0.739341 27.5876      1.03961  26.5624      1.05166  5.24888  0.0990317 5.15021  0.102099  
1 1 1 35 29 4  o 6.16148  0.0712398 37.9906      0.877886 40.4728      1.28358  35.8091      1.20334  6.35732  0.100953  5.97986  0.100616  
1 1 1 35 29 5  o 6.02481  0.0763364 36.3284      0.919824 35.7573      1.30584  36.8907      1.29587  5.97465  0.109282  6.06884  0.106764  
1 1 1 35 29 6  o 4.83725  0.0835007 23.4228      0.807827 23.2116      1.11659  23.6548      1.17018  4.81308  0.115995  4.85844  0.120427  
1 1 1 35 29 7  o 2.69076  0.117736  7.25536      0.633599 7.58007      0.897397 6.93261      0.894698 2.74759  0.163306  2.62716  0.170279  
1 1 1 35 29 8  o 7.01257  0.0828172 49.2299      1.16152  47.5502      1.62298  50.9935      1.66304  6.88797  0.117812  7.13317  0.116571  
1 1 1 35 29 9  o 4.86506  0.0866734 23.699       0.843343 23.142       1.22641  24.1987      1.16156  4.80392  0.127647  4.91335  0.118205  
1 1 1 35 29 10 o 3.36334  0.103449  11.334       0.695867 10.9772      0.99188  11.6798      0.97651  3.30644  0.149992  3.41124  0.143131  
1 1 1 35 29 11 o 3.75048  0.0977494 14.092       0.733214 14.8429      1.06527  13.4161      1.01072  3.84555  0.138507  3.65608  0.138225  
1 1 1 35 29 12 o 3.48589  0.10221   12.1772      0.712583 12.1756      1.0129   12.1789      1.00267  3.48191  0.145452  3.48254  0.143956  
1 1 1 35 29 13 o 1.66568  0.186887  2.79521      0.622587 2.84536      0.868961 2.74231      0.89245  1.6749   0.259406  1.64318  0.271561  
1 1 1 35 29 14 o 1.44185  0.17854   2.09434      0.514856 1.63422      0.694682 2.6551       0.766895 1.24262  0.285376  1.61894  0.236851  
1 1 1 35 29 15 o 2.39754  0.121837  5.77017      0.584216 5.99391      0.78669  5.49506      0.872346 2.44013  0.161198  2.33373  0.1869    
1 1 1 35 29 16 f 0.600905 0.248047  0.112492     0.482892 -0.197189    0.69382  0.403438     0.672504 0.632275 0.279335  0.777558 0.301827  
1 1 1 35 29 17 o 2.40322  0.11983   5.80071      0.575957 5.46147      0.811314 6.14538      0.817778 2.32623  0.174384  2.46869  0.16563   
1 1 1 35 29 18 o 2.17073  0.133227  4.73989      0.578399 4.33309      0.814918 5.15285      0.821076 2.06814  0.197017  2.25745  0.181859  
1 1 1 35 29 19 o 4.27563  0.0859458 18.3296      0.734944 18.5156      1.03088  18.1374      1.04807  4.29177  0.1201    4.24709  0.123386  
1 1 1 35 29 20 o 2.49529  0.132708  6.26732      0.66229  7.22945      0.962208 5.40113      0.912969 2.67258  0.180015  2.30716  0.197855  
1 1 1 35 29 21 o 1.12941  0.27905   1.36621      0.627478 1.42547      0.87828  1.30442      0.896785 1.15775  0.349854  1.11827  0.356407  
1 1 1 35 29 22 o 0.676947 0.286007  0.0770915    0.66622  -0.0152855   0.9632   0.161821     0.922472 0.781177 0.337345  0.802483 0.337673  
1 1 1 35 29 23 o 2.07265  0.179783  4.36847      0.745254 4.27599      1.05182  4.4617       1.0561   2.0325   0.258749  2.0774   0.254187  
1 1 1 35 29 24 o 3.73411  0.116597  14.054       0.870774 13.2276      1.19238  14.9984      1.27465  3.60833  0.165226  3.84203  0.165882  
1 1 1 35 29 25 o 1.9109   0.198763  3.74276      0.759632 3.19404      1.06234  4.31686      1.08664  1.70798  0.322761  2.03184  0.267402  
1 1 1 35 29 26 o 1.12266  0.326289  1.39331      0.776108 2.45489      1.06489  0.190572     1.13348  1.47058  0.363636  0.867211 0.369977  
1 1 1 35 29 27 o 2.57462  0.163412  6.76388      0.841448 5.85154      1.20464  7.63314      1.17586  2.36094  0.255118  2.71454  0.216586  
1 1 1 35 29 28 o 2.28848  0.192899  5.40788      0.882893 5.34666      1.26743  5.4656       1.23058  2.23507  0.283533  2.26596  0.271536  
1 1 1 35 29 29 o 2.35581  0.184364  5.74396      0.868653 5.24502      1.21242  6.2702       1.24516  2.20658  0.274728  2.42355  0.256887  
1 1 1 35 29 30 o 1.20679  0.338406  1.71667      0.849532 1.73362      1.18207  1.69857      1.22176  1.19843  0.409885  1.18908  0.415817  
1 1 1 35 29 31 o 2.17541  0.193811  4.97675      0.843239 4.28091      1.17946  5.70428      1.20602  1.94975  0.302464  2.28102  0.26436   
1 1 1 35 29 32 o 0.813813 0.327819  0.56896      0.820501 0.171039     1.16702  0.957932     1.15382  0.816935 0.361422  0.96322  0.388438  
1 1 1 35 29 33 o 1.37932  0.323203  2.35118      0.876952 2.74788      1.27825  1.99844      1.20535  1.39595  0.422111  1.19973  0.413638  
1 1 1 35 29 34 o 1.09637  0.361852  1.67147      0.921254 1.16002      1.32947  2.14391      1.27776  0.958926 0.404528  1.17262  0.423707  
1 1 1 35 29 35 o 1.26495  0.364908  2.31215      0.974255 0.638196     1.30658  4.40835      1.46211  0.846058 0.377658  1.66872  0.434051  
1 1 1 35 29 36 o 0.616382 0.292082  -0.296464    0.967988 -1.31513     1.42897  0.567364     1.31589  0.627396 0.309986  0.779876 0.359985  
1 1 1 35 29 37 o 0.615144 0.294211  -0.300342    1.01761  0.162729     1.47432  -0.72169     1.40633  0.728926 0.349949  0.648872 0.318277  
1 1 1 35 30 0  o 10.2528  0.115949  105.261      2.37692  105.261      2.37692  105.261      2.37692  10.2562  0.0819492 ?        ?         
1 1 1 35 30 1  o 7.44567  0.0738872 55.4815      1.10028  54.4801      1.51344  56.6043      1.60243  7.37545  0.1026    7.51741  0.106581  
1 1 1 35 30 2  o 6.59269  0.0681912 43.4929      0.899127 44.5861      1.29581  42.4778      1.24862  6.6727   0.0970978 6.51313  0.0958541 
1 1 1 35 30 3  o 9.58318  0.0832298 91.9308      1.59521  90.4189      2.19053  93.6379      2.32765  9.49954  0.115297  9.6663   0.1204    
1 1 1 35 30 4  o 5.10803  0.0730381 26.1128      0.746162 25.2056      1.06329  26.9931      1.04736  5.01626  0.105984  5.1915   0.100872  
1 1 1 35 30 5  o 2.78696  0.121297  7.7847       0.676099 7.7029       0.988598 7.85659      0.926697 2.76855  0.178541  2.79699  0.165659  
1 1 1 35 30 6  o 6.54558  0.0816903 42.8904      1.06942  42.356       1.49928  43.444       1.52585  6.50117  0.115309  6.58407  0.115874  
1 1 1 35 30 7  o 2.67895  0.121467  7.19456      0.650807 7.29801      0.938641 7.09879      0.903145 2.69458  0.174172  2.65788  0.1699    
1 1 1 35 30 8  o 5.23662  0.083859  27.4563      0.878276 27.4654      1.27167  27.4481      1.21444  5.23388  0.121485  5.23283  0.116041  
1 1 1 35 30 9  o 1.18188  0.271941  1.47148      0.62985  1.84971      0.934869 1.15709      0.852327 1.32129  0.348661  1.07695  0.347888  
1 1 1 35 30 10 o 2.87686  0.117573  8.29892      0.676484 7.34176      0.947431 9.29446      0.966233 2.7014   0.175359  3.04113  0.158861  
1 1 1 35 30 11 o 2.48786  0.129391  6.21075      0.643814 6.50987      0.898805 5.89555      0.922644 2.54334  0.176698  2.4191   0.1907    
1 1 1 35 30 12 o 7.6481   0.0910393 58.5983      1.39255  62.8582      1.97229  54.3636      1.96646  7.91512  0.12459   7.35906  0.133608  
1 1 1 35 30 13 f 3.03354  0.110014  9.22844      0.667467 9.11405      0.935776 9.34691      0.952322 3.01046  0.155421  3.04859  0.15619   
1 1 1 35 30 14 o 1.94257  0.161723  3.79902      0.628318 4.02989      0.878401 3.55713      0.899111 1.9951   0.220139  1.87225  0.240115  
1 1 1 35 30 15 o 3.21454  0.0976516 10.361       0.62781  11.0258      0.850408 9.56482      0.930736 3.31289  0.128348  3.0829   0.150951  
1 1 1 35 30 16 o 3.02382  0.108422  9.17592      0.655699 8.84047      0.848474 9.6733       1.03316  2.96416  0.143122  3.09725  0.166788  
1 1 1 35 30 17 o 2.886    0.10435   8.35858      0.60231  8.36424      0.859576 8.35312      0.844221 2.88151  0.149154  2.87996  0.146568  
1 1 1 35 30 18 o 2.04669  0.139413  4.21836      0.570671 4.54446      0.804213 3.88762      0.809917 2.11796  0.189856  1.95655  0.206976  
1 1 1 35 30 19 o 0.554784 0.249065  -0.253467    0.57555  -0.572415    0.825106 0.0487965    0.803235 0.625518 0.287252  0.734437 0.312332  
1 1 1 35 30 20 o 4.95622  0.0863373 24.6368      0.855814 25.0229      1.22036  24.2632      1.20049  4.98744  0.122344  4.91119  0.12222   
1 1 1 35 30 21 o 4.32977  0.0930742 18.8189      0.80598  17.9974      1.11486  19.7184      1.16656  4.226    0.131904  4.42347  0.13186   
1 1 1 35 30 22 o 2.86954  0.128588  8.3032       0.737978 8.0206       1.07704  8.55328      1.0132   2.80604  0.191915  2.90231  0.174551  
1 1 1 35 30 23 o 3.10388  0.126508  9.72194      0.785331 9.86788      1.11367  9.57759      1.1076   3.11294  0.178878  3.06627  0.180611  
1 1 1 35 30 24 o 3.48219  0.11659   12.226       0.811974 12.7789      1.10796  11.5846      1.1934   3.54834  0.156124  3.37139  0.17699   
1 1 1 35 30 25 o 1.69399  0.229623  2.97209      0.777959 3.34325      1.07606  2.56566      1.12604  1.74622  0.320044  1.50357  0.37524   
1 1 1 35 30 26 o 5.12198  0.101731  26.4392      1.04213  25.4414      1.41558  27.6198      1.53983  5.00642  0.141377  5.21282  0.147696  
1 1 1 35 30 27 o 2.64636  0.164378  7.1566       0.870007 5.96156      1.25364  8.26688      1.20836  2.37556  0.26386   2.82333  0.213996  
1 1 1 35 30 28 o 4.3869   0.116965  19.4844      1.02623  19.2285      1.4863   19.7176      1.41866  4.32727  0.171737  4.38851  0.161634  
1 1 1 35 30 29 o 1.35443  0.317218  2.1114       0.845093 1.12121      1.179    3.15775      1.21197  1.04677  0.401154  1.62252  0.379805  
1 1 1 35 30 30 f 1.30504  0.318945  1.98828      0.826572 1.32512      1.20108  2.58494      1.13927  1.08811  0.408164  1.44875  0.386087  
1 1 1 35 30 31 f 1.16299  0.329506  1.63024      0.801392 1.52425      1.12255  1.7404       1.14444  1.11405  0.397674  1.17307  0.403187  
1 1 1 35 30 32 o 0.804899 0.329453  0.538217     0.844646 0.589883     1.17903  0.483747     1.21062  0.883708 0.377186  0.870729 0.377134  
1 1 1 35 30 33 o 0.592274 0.276543  -0.435228    0.805608 -0.100778    1.15081  -0.756621    1.12813  0.748981 0.341976  0.660469 0.314082  
1 1 1 35 30 34 o 1.23925  0.348979  2.12746      0.901584 2.78202      1.22468  1.35297      1.33216  1.33611  0.415039  0.977975 0.408337  
1 1 1 35 30 35 o 0.871341 0.364065  1.04692      1.06008  0.84509      1.38907  1.32841      1.64045  0.85625  0.385547  0.929866 0.418823  
1 1 1 35 30 36 o 1.14681  0.381773  2.3004       1.02548  2.06461      1.49748  2.50862      1.40723  0.974529 0.420731  1.07078  0.43015   
1 1 1 35 30 37 o 0.631911 0.299443  0.10778      1.01741  0.188352     1.48529  0.0365562    1.39648  0.682886 0.333116  0.664349 0.323881  
1 1 1 35 31 0  o 1.22169  0.313777  1.76594      0.661539 1.76594      0.661539 1.76594      0.661539 1.28498  0.195638  ?        ?         
1 1 1 35 31 1  o 3.15578  0.0825706 9.96958      0.521149 9.46296      0.733224 10.4868      0.740866 3.07273  0.119312  3.23497  0.114509  
1 1 1 35 31 2  o 6.74394  0.0694229 45.5155      0.936368 43.4037      1.27909  47.9541      1.3745   6.58317  0.0971484 6.91942  0.0993219 
1 1 1 35 31 3  o 6.87561  0.0764247 47.3186      1.05093  48.088       1.45797  46.4865      1.51623  6.9283   0.105218  6.81122  0.111304  
1 1 1 35 31 4  o 1.59517  0.155633  2.55476      0.496522 1.5201       0.753262 3.34973      0.660267 1.20081  0.311177  1.82524  0.180871  
1 1 1 35 31 5  o 1.86601  0.170606  3.49936      0.636708 4.7788       0.926922 2.35636      0.876107 2.17756  0.212835  1.49721  0.303165  
1 1 1 35 31 6  o 1.46942  0.207117  2.17566      0.608683 2.21826      0.856846 2.13225      0.864824 1.45069  0.304977  1.42062  0.312824  
1 1 1 35 31 7  o 3.98098  0.0907264 15.8724      0.722361 14.9927      1.0083   16.7999      1.03538  3.86595  0.130408  4.09271  0.126491  
1 1 1 35 31 8  o 2.86318  0.11733   8.21969      0.671877 7.49757      0.943512 8.96259      0.956988 2.73029  0.172786  2.98635  0.160227  
1 1 1 35 31 9  o 6.23204  0.0815899 38.8904      1.01694  38.6003      1.41472  39.2006      1.46283  6.20483  0.114002  6.25246  0.116981  
1 1 1 35 31 10 o 4.57711  0.0874576 20.9834      0.800607 21.1974      1.14538  20.779       1.11953  4.59667  0.124588  4.55126  0.122991  
1 1 1 35 31 11 o 6.42687  0.084356  41.3695      1.08429  39.8429      1.52559  42.9279      1.54137  6.30199  0.12104   6.54198  0.117806  
1 1 1 35 31 12 o 6.33691  0.0853241 40.2259      1.08138  39.8447      1.54353  40.5933      1.51546  6.30106  0.122482  6.36058  0.119129  
1 1 1 35 31 13 f 3.71991  0.0965374 13.8713      0.718221 14.9111      1.01771  12.8395      1.01374  3.85281  0.132074  3.57394  0.141823  
1 1 1 35 31 14 o 2.0318   0.155929  4.15654      0.633635 3.79483      0.876574 4.55238      0.916982 1.93418  0.226601  2.11979  0.21629   
1 1 1 35 31 15 o 0.793858 0.292231  0.521025     0.610279 0.572976     0.892195 0.475346     0.836612 0.900947 0.348076  0.856456 0.335782  
1 1 1 35 31 16 o 3.19805  0.104195  10.2634      0.666445 10.3827      0.875901 10.0994      1.02703  3.21245  0.136329  3.16433  0.162282  
1 1 1 35 31 17 o 3.26288  0.094751  10.6807      0.618323 11.0904      0.881695 10.2843      0.867363 3.31968  0.132798  3.19632  0.135682  
1 1 1 35 31 18 o 0.975628 0.275745  1.00477      0.561891 1.90245      0.801194 0.135904     0.788232 1.33163  0.30692   0.748681 0.313447  
1 1 1 35 31 19 o 2.16932  0.141474  4.74311      0.613804 4.68613      0.873619 4.79866      0.862586 2.1473   0.203423  2.17378  0.198407  
1 1 1 35 31 20 o 2.89006  0.11482   8.39808      0.663674 8.19803      0.962475 8.57944      0.916376 2.84623  0.169079  2.91402  0.157236  
1 1 1 35 31 21 o 1.19986  0.279237  1.55201      0.658119 1.30079      0.936922 1.79668      0.924643 1.11527  0.364916  1.28007  0.350866  
1 1 1 35 31 22 o 2.90263  0.122439  8.49423      0.71079  8.68916      1.00848  8.3018       1.00197  2.92401  0.172447  2.85732  0.175334  
1 1 1 35 31 23 o 2.67152  0.138197  7.21763      0.738393 7.4593       1.01475  6.94568      1.07647  2.70313  0.1877    2.60273  0.206796  
1 1 1 35 31 24 o 1.80749  0.208658  3.35893      0.754294 3.65761      1.05175  3.04259      1.08238  1.86487  0.28199   1.65857  0.338016  
1 1 1 35 31 25 o 1.95238  0.19737   3.92221      0.770681 5.96872      1.08959  1.8733       1.09023  2.39769  0.227216  1.28368  0.390165  
1 1 1 35 31 26 o 1.06471  0.328693  1.24303      0.769709 1.7261       1.0795   0.74345      1.09779  1.23586  0.390745  0.971251 0.383477  
1 1 1 35 31 27 o 3.74752  0.124119  14.2338      0.930277 15.2864      1.37712  13.3502      1.26167  3.85627  0.178556  3.60575  0.174953  
1 1 1 35 31 28 o 2.08825  0.194099  4.53071      0.810652 4.95404      1.16999  4.13984      1.12424  2.1452   0.272701  1.95312  0.287808  
1 1 1 35 31 29 o 1.80187  0.243224  3.48101      0.876517 3.99143      1.29473  3.04915      1.19093  1.83397  0.365943  1.58635  0.379832  
1 1 1 35 31 30 o 2.69362  0.156858  7.49888      0.845029 8.35011      1.20358  6.67135      1.1867   2.80263  0.214723  2.48792  0.238493  
1 1 1 35 31 31 o 1.24372  0.330657  1.89174      0.836873 2.34332      1.19698  1.45991      1.1705   1.32433  0.410105  1.08487  0.403728  
1 1 1 35 31 32 o 2.36062  0.179504  5.91663      0.847481 6.58352      1.19218  5.23535      1.20496  2.42997  0.245307  2.13118  0.282699  
1 1 1 35 31 33 o 0.753433 0.320276  0.422844     0.843984 1.13441      1.19168  -0.293271    1.19548  0.952199 0.390797  0.722381 0.337132  
1 1 1 35 31 34 o 1.14964  0.380028  1.97732      1.01613  2.4463       1.39935  1.45418      1.47792  1.1911   0.441797  0.988297 0.422077  
1 1 1 35 31 35 o 0.727375 0.324328  0.44795      0.961289 0.129099     1.34581  0.780078     1.37355  0.739169 0.348091  0.818817 0.373756  
1 1 1 35 31 36 o 1.04321  0.38566   1.99045      1.06456  3.00448      1.5408   1.0643       1.47254  1.12711  0.451212  0.835408 0.383683  
1 1 1 35 32 0  o 4.3631   0.098759  19.0821      0.860795 19.0821      0.860795 19.0821      0.860795 4.3657   0.069751  ?        ?         
1 1 1 35 32 1  o 3.52755  0.0749944 12.4559      0.529093 12.162       0.741235 12.7611      0.75547  3.48394  0.106379  3.56875  0.105845  
1 1 1 35 32 2  f 3.57347  0.0730898 12.7817      0.522368 12.4573      0.725813 13.1303      0.752383 3.52617  0.102918  3.62011  0.103917  
1 1 1 35 32 3  o 1.81774  0.130813  3.31433      0.475569 2.9268       0.689693 3.66561      0.656637 1.70451  0.202314  1.9095   0.17194   
1 1 1 35 32 4  o 2.19344  0.124502  4.82484      0.546174 5.16759      0.762022 4.46275      0.783229 2.26736  0.168042  2.10584  0.185966  
1 1 1 35 32 5  o 2.73134  0.12241   7.48129      0.668688 7.9914       0.968378 7.01637      0.924485 2.81907  0.171755  2.64122  0.175011  
1 1 1 35 32 6  o 3.78813  0.0946578 14.375       0.717152 15.657       1.03482  13.1903      0.994777 3.9503   0.13098   3.62521  0.137203  
1 1 1 35 32 7  o 8.18016  0.0909875 67.0262      1.48858  65.425       2.0476   68.821       2.1679   8.0756   0.126777  8.28167  0.130886  
1 1 1 35 32 8  o 4.24594  0.0902019 18.0583      0.765983 19.685       1.12177  16.6373      1.04847  4.42949  0.126626  4.07195  0.128742  
1 1 1 35 32 9  o 2.49258  0.127226  6.2345       0.634244 6.19922      0.905187 6.26853      0.888946 2.48106  0.18242   2.4953   0.178124  
1 1 1 35 32 10 o 6.96636  0.087283  48.6142      1.21609  48.2763      1.676    48.99        1.76725  6.93666  0.120807  6.98664  0.126473  
1 1 1 35 32 11 o 4.75545  0.0889094 22.6578      0.845609 21.6884      1.21455  23.5698      1.17803  4.64744  0.130669  4.84618  0.121542  
1 1 1 35 32 12 o 8.37091  0.0985562 70.2526      1.65001  68.2637      2.27654  72.4537      2.39488  8.2415   0.138115  8.48976  0.141045  
1 1 1 35 32 13 o 0.616646 0.265924  -0.0465665   0.596947 0.53909      0.849075 -0.618989    0.839428 0.878849 0.339556  0.627154 0.28873   
1 1 1 35 32 14 o 1.72055  0.188975  2.99217      0.650281 3.46862      0.896553 2.46328      0.944599 1.84612  0.242821  1.51883  0.32089   
1 1 1 35 32 15 o 2.19473  0.162699  4.8579       0.714158 5.21588      0.958651 4.41149      1.07053  2.26733  0.211406  2.07794  0.257595  
1 1 1 35 32 16 o 2.65818  0.110925  7.09686      0.589719 7.19024      0.784159 6.97528      0.894708 2.67119  0.146781  2.62749  0.170259  
1 1 1 35 32 17 o 0.602729 0.255239  0.0352474    0.532598 -0.190558    0.765141 0.247495     0.741815 0.6663   0.293986  0.757634 0.3092    
1 1 1 35 32 18 o 4.49725  0.0860091 20.2831      0.773609 19.3167      1.09301  21.2532      1.09509  4.3819   0.124718  4.59751  0.119097  
1 1 1 35 32 19 o 4.05187  0.0894922 16.4706      0.725222 17.2613      1.07467  15.8095      0.982725 4.1405   0.129775  3.96373  0.123965  
1 1 1 35 32 20 o 1.23234  0.257031  1.62308      0.612744 1.49478      0.858541 1.75629      0.874789 1.1752   0.343702  1.26734  0.338579  
1 1 1 35 32 21 o 1.73613  0.187678  3.06976      0.651668 2.28432      0.913373 3.88413      0.930049 1.44592  0.323933  1.9418   0.239482  
1 1 1 35 32 22 o 1.62881  0.209927  2.72086      0.68386  4.18738      0.972358 1.28551      0.961973 2.01242  0.241589  1.10725  0.369762  
1 1 1 35 32 23 o 3.32393  0.122318  11.1514      0.813153 13.0661      1.19019  9.47528      1.11358  3.58374  0.166053  3.04634  0.182773  
1 1 1 35 32 24 o 1.30511  0.288487  1.86564      0.732922 2.31346      1.03006  1.40643      1.04308  1.43071  0.360008  1.14361  0.385035  
1 1 1 35 32 25 o 1.13407  0.3202    1.42855      0.758045 2.25107      1.03399  0.472736     1.11462  1.40507  0.3648    0.916232 0.377315  
1 1 1 35 32 26 o 2.43022  0.173697  6.05437      0.844245 5.23628      1.24132  6.75849      1.15161  2.21723  0.279926  2.54615  0.226147  
1 1 1 35 32 27 o 0.565144 0.265359  -0.703545    0.770134 -0.786775    1.10628  -0.625283    1.07276  0.694674 0.324243  0.703804 0.324932  
1 1 1 35 32 28 o 2.07136  0.20043   4.48753      0.830325 3.53342      1.16717  5.46518      1.18148  1.74226  0.347266  2.25055  0.262486  
1 1 1 35 32 29 o 0.827929 0.330722  0.547336     0.82532  -1.06636     1.19919  1.99951      1.1376   0.681681 0.324005  1.26992  0.401082  
1 1 1 35 32 30 o 0.613446 0.282299  -0.392291    0.801513 -0.665155    1.16774  -0.149232    1.10212  0.707649 0.331275  0.757981 0.342244  
1 1 1 35 32 31 o 1.87805  0.219166  3.83699      0.823208 4.7513       1.13673  2.82865      1.19375  2.03973  0.278647  1.45296  0.398849  
1 1 1 35 32 32 o 0.968828 0.338421  1.17039      0.809084 0.826442     1.10926  1.56139      1.1827   0.902737 0.37449   1.07365  0.404578  
1 1 1 35 32 33 o 0.718025 0.320851  0.169897     0.945317 -0.0319291   1.27943  0.412532     1.40283  0.762345 0.353062  0.839585 0.381721  
1 1 1 35 32 34 o 1.30748  0.374754  2.56719      1.0308   2.01307      1.46962  3.10381      1.44622  1.06102  0.434473  1.30147  0.452663  
1 1 1 35 32 35 o 1.10034  0.373643  2.08695      0.982269 1.55033      1.3805   2.6372       1.39794  0.90609  0.39757   1.09988  0.433219  
1 1 1 35 32 36 o 1.0011   0.383312  2.04419      1.07567  -0.316533    1.50805  4.48924      1.53475  0.671799 0.329544  1.35578  0.466815  
1 1 1 35 33 0  o 3.00971  0.119132  9.11314      0.714554 9.11314      0.714554 9.11314      0.714554 3.01428  0.0839594 ?        ?         
1 1 1 35 33 1  o 3.17046  0.0804281 10.0643      0.509987 9.8809       0.716905 10.2522      0.725636 3.13946  0.114177  3.19795  0.113453  
1 1 1 35 33 2  o 7.12237  0.0730714 50.7808      1.04088  51.051       1.50956  50.536       1.43717  7.13726  0.105752  7.10181  0.101183  
1 1 1 35 33 3  f 5.51232  0.0709763 30.4159      0.782488 31.0208      1.07383  29.731       1.14258  5.56454  0.0964888 5.44672  0.104887  
1 1 1 35 33 4  o 4.81778  0.0832409 23.2431      0.802072 22.2337      1.12054  24.3037      1.14859  4.70863  0.118988  4.92321  0.11665   
1 1 1 35 33 5  f 8.39525  0.0936129 70.6058      1.57181  71.8299      2.34848  69.6125      2.11548  8.45877  0.138819  8.32983  0.126982  
1 1 1 35 33 6  o 7.46138  0.0877986 55.7613      1.3102   54.8397      1.86456  56.6601      1.84145  7.39326  0.126098  7.51566  0.122508  
1 1 1 35 33 7  o 2.08064  0.152911  4.35066      0.636303 4.0115       0.914072 4.66953      0.886308 1.99179  0.229459  2.15126  0.205997  
1 1 1 35 33 8  f 3.39878  0.102766  11.579       0.698561 11.4209      1.00999  11.724       0.967224 3.37107  0.149803  3.41642  0.141555  
1 1 1 35 33 9  o 2.17165  0.147815  4.74038      0.642005 5.36693      0.933679 4.17847      0.884204 2.30555  0.202486  2.03283  0.217481  
1 1 1 35 33 10 o 4.86598  0.0895365 23.7257      0.871366 24.3167      1.2591   23.1825      1.20714  4.92108  0.127929  4.8053   0.125605  
1 1 1 35 33 11 o 0.797667 0.292877  0.52693      0.612637 -0.174579    0.845255 1.30331      0.889216 0.709318 0.311162  1.12568  0.354458  
1 1 1 35 33 12 o 1.28342  0.2475    1.72995      0.612619 2.03223      0.854339 1.41001      0.878933 1.37967  0.316219  1.16034  0.349853  
1 1 1 35 33 13 o 0.68662  0.280615  0.186414     0.611859 1.07063      0.862914 -0.707647    0.867704 1.04275  0.350207  0.62652  0.290387  
1 1 1 35 33 14 o 3.51303  0.106922  12.3871      0.751244 12.9041      1.07651  11.8963      1.04887  3.57896  0.150395  3.43597  0.15263   
1 1 1 35 33 15 o 2.04279  0.166837  4.21427      0.681625 4.66632      0.932012 3.69445      0.999444 2.14212  0.217544  1.89873  0.263187  
1 1 1 35 33 16 o 3.67016  0.107434  13.5258      0.788597 13.8539      1.08976  13.165       1.14261  3.70764  0.146961  3.61207  0.158166  
1 1 1 35 33 17 o 3.74804  0.110873  14.1138      0.831112 14.0107      1.17074  14.2184      1.18005  3.72551  0.157125  3.75301  0.157214  
1 1 1 35 33 18 o 3.4683   0.0961643 12.0737      0.667053 12.4156      0.975276 11.7732      0.914376 3.5099   0.138932  3.41887  0.133725  
1 1 1 35 33 19 o 1.98545  0.153475  3.98595      0.609434 3.43157      0.87071  4.51836      0.853292 1.82816  0.238138  2.10535  0.202648  
1 1 1 35 33 20 o 2.05544  0.157914  4.27849      0.649167 4.28519      0.902309 4.2713       0.934666 2.04485  0.220629  2.0396   0.22913   
1 1 1 35 33 21 o 1.58836  0.204861  2.58342      0.650788 4.97048      0.950459 0.476548     0.892939 2.20019  0.215995  0.862112 0.344121  
1 1 1 35 33 22 o 1.73997  0.196255  3.09834      0.682956 3.07626      0.959701 3.121        0.97211  1.71333  0.280069  1.72528  0.281726  
1 1 1 35 33 23 o 2.46576  0.15599   6.17871      0.769269 6.20215      1.10125  6.15638      1.07505  2.44937  0.224802  2.44196  0.220119  
1 1 1 35 33 24 o 1.69701  0.227711  2.99167      0.772853 2.30088      1.0464   3.82079      1.14639  1.42096  0.366042  1.89082  0.303145  
1 1 1 35 33 25 o 1.74682  0.235902  3.18229      0.824155 3.31445      1.13065  3.03247      1.20385  1.72162  0.340483  1.62669  0.377074  
1 1 1 35 33 26 o 2.95977  0.150565  8.93511      0.891275 9.03872      1.36374  8.85787      1.17756  2.9375   0.232126  2.92444  0.201332  
1 1 1 35 33 27 o 0.639777 0.288022  -0.24447     0.774863 -0.842078    1.08117  0.386658     1.11108  0.673533 0.31592   0.878752 0.370216  
1 1 1 35 33 28 o 2.809    0.155856  8.12532      0.875598 7.90402      1.26362  8.32972      1.21441  2.72335  0.231997  2.80706  0.216314  
1 1 1 35 33 29 o 0.786549 0.322173  0.421972     0.808308 0.260154     1.15446  0.577586     1.13211  0.847055 0.367601  0.901808 0.376477  
1 1 1 35 33 30 o 1.26764  0.323622  1.95007      0.823411 0.834818     1.18611  2.98752      1.14399  0.944088 0.389081  1.53177  0.375756  
1 1 1 35 33 31 o 0.607504 0.281222  -0.387887    0.810524 0.683209     1.11616  -1.58283     1.17892  0.886378 0.372132  0.60446  0.295213  
1 1 1 35 33 32 o 0.59722  0.282577  -0.616797    0.902968 -2.12361     1.26085  0.969736     1.29377  0.576744 0.286316  0.93052  0.396076  
1 1 1 35 33 33 o 1.52046  0.339626  3.10735      1.00645  2.65341      1.42033  3.56516      1.42637  1.2383   0.44679   1.46836  0.446276  
1 1 1 35 33 34 o 0.719974 0.32527   0.354479     0.996923 0.585257     1.42117  0.130901     1.39882  0.803328 0.372067  0.750487 0.353847  
1 1 1 35 33 35 o 1.24062  0.370059  2.51007      0.986952 1.78097      1.38729  3.25727      1.40439  0.950937 0.407615  1.24999  0.444942  
1 1 1 35 34 0  o 2.0393   0.162063  4.24794      0.651388 4.24794      0.651388 4.24794      0.651388 2.05043  0.113105  ?        ?         
1 1 1 35 34 1  o 2.47886  0.100402  6.15753      0.497767 7.06184      0.717301 5.31756      0.691315 2.65244  0.135215  2.30066  0.150242  
1 1 1 35 34 2  o 8.80205  0.0763051 77.5697      1.34328  77.6466      1.8984   77.4926      1.90098  8.80118  0.107849  8.7924   0.108103  
1 1 1 35 34 3  o 7.59124  0.0782521 57.7009      1.18806  59.4071      1.71015  56.1093      1.65172  7.69773  0.111081  7.48114  0.110392  
1 1 1 35 34 4  o 1.97094  0.158333  3.9053       0.624131 4.52415      0.887868 3.30077      0.877532 2.11722  0.209678  1.8056   0.243003  
1 1 1 35 34 5  o 11.7078  0.111811  137.446      2.61812  138.071      3.77448  136.867      3.63465  11.7174  0.161063  11.6684  0.155748  
1 1 1 35 34 6  o 5.05543  0.0869105 25.601       0.87874  26.6111      1.23896  24.5785      1.24653  5.15022  0.120282  4.94884  0.125941  
1 1 1 35 34 7  o 2.70485  0.120845  7.34139      0.653735 8.08489      0.939016 6.64209      0.910678 2.83426  0.165655  2.56774  0.17733   
1 1 1 35 34 8  o 5.04864  0.0848294 25.5343      0.856546 25.6027      1.22294  25.4685      1.20007  5.05075  0.121065  5.03779  0.119106  
1 1 1 35 34 9  o 3.85722  0.0981247 14.9161      0.756978 14.9488      1.06693  14.8828      1.07417  3.8567   0.138322  3.84799  0.139575  
1 1 1 35 34 10 f 7.6315   0.0903253 58.3728      1.37863  57.7807      1.96823  58.9432      1.93165  7.58365  0.129768  7.66056  0.126078  
1 1 1 35 34 11 o 3.75634  0.0993355 14.1509      0.746275 14.4339      1.03626  13.8459      1.07562  3.78889  0.13675   3.70968  0.144976  
1 1 1 35 34 12 o 2.96563  0.114677  8.83067      0.680179 9.14782      0.958124 8.50845      0.965758 3.01276  0.159011  2.90452  0.166251  
1 1 1 35 34 13 o 1.85993  0.172017  3.49296      0.639882 3.95925      0.915072 3.04679      0.895117 1.97221  0.231992  1.72631  0.259258  
1 1 1 35 34 14 o 0.870605 0.29837   0.724205     0.626365 0.559204     0.878834 0.894554     0.892961 0.889931 0.345121  0.990318 0.354565  
1 1 1 35 34 15 f 3.12081  0.121234  9.79074      0.756699 10.532       1.04044  8.95844      1.10252  3.23019  0.16105   2.97465  0.18532   
1 1 1 35 34 16 o 1.9158   0.20698   3.73006      0.793065 1.92852      1.16948  5.26389      1.07909  1.33704  0.403642  2.26998  0.237688  
1 1 1 35 34 17 o 1.39147  0.219466  1.97349      0.610761 1.51874      0.803084 2.59733      0.940622 1.18774  0.327624  1.55594  0.31327   
1 1 1 35 34 18 o 1.01067  0.271027  1.09231      0.559228 0.760622     0.784512 1.43496      0.79738  0.917942 0.33197   1.15353  0.329276  
1 1 1 35 34 19 o 3.94473  0.0967597 15.6346      0.763381 15.8406      1.10195  15.4445      1.05853  3.9607   0.13911   3.91189  0.135296  
1 1 1 35 34 20 o 3.23427  0.11095   10.5328      0.717687 9.27012      1.02889  11.7293      1.00159  3.02009  0.17034   3.40411  0.147115  
1 1 1 35 34 21 f 1.28572  0.262801  1.77758      0.652429 0.856736     0.923428 2.69543      0.921922 0.971792 0.359202  1.57629  0.303255  
1 1 1 35 34 22 o 2.48099  0.14086   6.23427      0.698943 6.78953      0.993884 5.69098      0.983112 2.57464  0.193014  2.35238  0.208961  
1 1 1 35 34 23 o 2.55585  0.148706  6.63872      0.760139 6.46341      1.05925  6.82486      1.09146  2.50153  0.211722  2.57029  0.212323  
1 1 1 35 34 24 o 1.11616  0.331331  1.3801       0.792477 2.50968      1.12804  0.279341     1.11356  1.47747  0.379732  0.875877 0.369895  
1 1 1 35 34 25 o 1.64071  0.248252  2.83662      0.814617 2.42606      1.19827  3.18943      1.11078  1.43427  0.401813  1.67853  0.342735  
1 1 1 35 34 26 o 3.52444  0.126759  12.615       0.89351  13.4134      1.26789  11.8273      1.25938  3.60909  0.175652  3.38299  0.186135  
1 1 1 35 34 27 f 0.575132 0.269836  -0.664678    0.790656 -1.00728     1.10854  -0.309925    1.12802  0.660387 0.312762  0.757811 0.343943  
1 1 1 35 34 28 o 0.895111 0.330631  0.816693     0.7821   0.520825     1.10435  1.1144       1.10777  0.88954  0.371624  1.02434  0.389924  
1 1 1 35 34 29 o 1.67908  0.249758  3.08718      0.838725 3.55611      1.2145   2.65964      1.15967  1.69743  0.368099  1.44236  0.391868  
1 1 1 35 34 30 o 1.33959  0.322288  2.20168      0.854246 2.24769      1.17552  2.1502       1.24352  1.28361  0.407947  1.24665  0.420405  
1 1 1 35 34 31 o 2.69014  0.172706  7.68644      0.929208 8.78101      1.3413   6.67636      1.28849  2.80046  0.239478  2.41047  0.26727   
1 1 1 35 34 32 o 2.06354  0.230909  4.85792      0.952977 5.40868      1.36461  4.33362      1.33143  2.04611  0.333465  1.74574  0.391104  
1 1 1 35 34 33 o 0.872213 0.355562  0.983719     0.979845 0.897068     1.36755  1.07513      1.40462  0.882544 0.390744  0.911916 0.400571  
1 1 1 35 34 34 f 0.703765 0.319458  0.349135     0.973891 -0.408973    1.36708  1.13031      1.38773  0.679495 0.328622  0.849549 0.383789  
1 1 1 35 34 35 o 0.902725 0.367622  1.51344      1.04635  0.396105     1.50506  2.5587       1.45571  0.74283  0.355885  1.02428  0.42721   
1 1 1 35 35 0  o 0.528141 0.349109  -0.115247    0.91775  -0.115247    0.91775  -0.115247    0.91775  0.438027 0.291059  ?        ?         
1 1 1 35 35 1  o 1.24263  0.289976  1.78489      0.625832 1.78489      0.625832 1.78489      0.625832 1.29866  0.177769  ?        ?         
1 1 1 35 35 2  o 3.53859  0.104468  12.5697      0.737883 12.5697      0.737883 12.5697      0.737883 3.542    0.0737256 ?        ?         
1 1 1 35 35 3  o 0.659023 0.348326  0.642316     0.607175 0.642316     0.607175 0.642316     0.607175 0.66147  0.301303  ?        ?         
1 1 1 35 35 4  o 1.80281  0.258228  3.46746      0.875663 3.46746      0.875663 3.46746      0.875663 1.83524  0.172176  ?        ?         
1 1 1 35 35 5  o 6.67078  0.118803  44.6175      1.58388  44.6175      1.58388  44.6175      1.58388  6.67521  0.0839202 ?        ?         
1 1 1 35 35 6  o 0.812612 0.422996  0.99245      0.884799 0.99245      0.884799 0.99245      0.884799 0.825247 0.36385   ?        ?         
1 1 1 35 35 7  o 5.69385  0.119351  32.5236      1.35778  32.5236      1.35778  32.5236      1.35778  5.69842  0.084284  ?        ?         
1 1 1 35 35 8  o 2.54747  0.18133   6.61668      0.913111 6.61668      0.913111 6.61668      0.913111 2.56012  0.126811  ?        ?         
1 1 1 35 35 9  o 2.96792  0.166451  8.92605      0.980923 8.92605      0.980923 8.92605      0.980923 2.97791  0.116869  ?        ?         
1 1 1 35 35 10 o 3.05484  0.158941  9.44261      0.965074 9.44261      0.965074 9.44261      0.965074 3.06395  0.111698  ?        ?         
1 1 1 35 35 11 o 3.94176  0.13702   15.6394      1.07724  15.6394      1.07724  15.6394      1.07724  3.94822  0.0965951 ?        ?         
1 1 1 35 35 12 o 6.84303  0.127164  47.0024      1.73902  47.0024      1.73902  47.0024      1.73902  6.84938  0.0897999 ?        ?         
1 1 1 35 35 13 f 6.30012  0.132906  39.8708      1.67296  39.8708      1.67296  39.8708      1.67296  6.30721  0.0938252 ?        ?         
1 1 1 35 35 14 o 2.21717  0.240295  5.13499      1.03696  5.13499      1.03696  5.13499      1.03696  2.24253  0.16556   ?        ?         
1 1 1 35 35 15 o 4.39666  0.160182  19.5015      1.40429  19.5015      1.40429  19.5015      1.40429  4.40637  0.112843  ?        ?         
1 1 1 35 35 16 o 2.34076  0.261736  5.75278      1.19041  5.75278      1.19041  5.75278      1.19041  2.37078  0.179907  ?        ?         
1 1 1 35 35 17 o 3.19813  0.170058  10.38        1.08071  10.38        1.08071  10.38        1.08071  3.21006  0.119403  ?        ?         
1 1 1 35 35 18 o 1.23202  0.376288  1.92777      0.808199 1.92777      0.808199 1.92777      0.808199 1.32064  0.240122  ?        ?         
1 1 1 35 35 19 o 5.17963  0.137191  27.023       1.41894  27.023       1.41894  27.023       1.41894  5.18899  0.0967557 ?        ?         
1 1 1 35 35 20 o 0.51491  0.341136  -0.0933302   0.882877 -0.0933302   0.882877 -0.0933302   0.882877 0.42965  0.285486  ?        ?         
1 1 1 35 35 21 o 4.4964   0.136917  20.3928      1.22868  20.3928      1.22868  20.3928      1.22868  4.50608  0.0965037 ?        ?         
1 1 1 35 35 22 o 2.33672  0.215294  5.68394      0.986528 5.68394      0.986528 5.68394      0.986528 2.36107  0.149088  ?        ?         
1 1 1 35 35 23 o 1.21682  0.475989  2.14802      1.10281  2.14802      1.10281  2.14802      1.10281  1.33476  0.338314  ?        ?         
1 1 1 35 35 24 o 3.0762   0.205384  9.74803      1.25068  9.74803      1.25068  9.74803      1.25068  3.09952  0.14336   ?        ?         
1 1 1 35 35 25 f 0.90176  0.467942  1.32315      1.0805   1.32315      1.0805   1.32315      1.0805   0.940581 0.401266  ?        ?         
1 1 1 35 35 26 o 2.97807  0.218792  9.23834      1.28699  9.23834      1.28699  9.23834      1.28699  3.00925  0.152093  ?        ?         
1 1 1 35 35 27 o 0.697627 0.425882  0.640725     1.10058  0.640725     1.10058  0.640725     1.10058  0.653593 0.37685   ?        ?         
1 1 1 35 35 28 o 1.84471  0.343098  3.96015      1.13537  3.96015      1.13537  3.96015      1.13537  1.92638  0.214436  ?        ?         
1 1 1 35 35 29 o 0.964998 0.502825  1.69395      1.25127  1.69395      1.25127  1.69395      1.25127  1.04342  0.43005   ?        ?         
1 1 1 35 35 30 o 1.05532  0.503712  1.99113      1.20878  1.99113      1.20878  1.99113      1.20878  1.18419  0.403304  ?        ?         
1 1 1 35 35 31 o 1.37005  0.528467  3.11877      1.36677  3.11877      1.36677  3.11877      1.36677  1.58232  0.349657  ?        ?         
1 1 1 35 35 32 o 0.845459 0.489138  1.50669      1.31785  1.50669      1.31785  1.50669      1.31785  0.904162 0.441049  ?        ?         
1 1 1 35 35 33 o 0.93565  0.515693  2.08727      1.37769  2.08727      1.37769  2.08727      1.37769  1.08659  0.451842  ?        ?         
1 1 1 35 35 34 o 0.695185 0.452524  1.03063      1.47064  1.03063      1.47064  1.03063      1.47064  0.695033 0.419387  ?        ?         
1 1 1 35 35 35 o 0.389073 0.287949  -2.35365     1.44363  -2.35365     1.44363  -2.35365     1.44363  0.30853  0.229629  ?        ?         
1 1 1 36 0  0  o 6.67732  0.119587  44.6342      1.59588  44.6342      1.59588  44.6342      1.59588  6.6791   0.0845073 ?        ?         
1 1 1 36 0  1  o 10.4331  0.111125  108.897      2.31816  108.897      2.31816  108.897      2.31816  10.4342  0.0785585 ?        ?         
1 1 1 36 0  2  f 1.6004   0.180066  2.65783      0.559734 2.65783      0.559734 2.65783      0.559734 1.61604  0.124142  ?        ?         
1 1 1 36 0  3  o 5.49835  0.0900449 30.2581      0.989599 30.2581      0.989599 30.2581      0.989599 5.49954  0.0636383 ?        ?         
1 1 1 36 0  4  o 20.6185  0.209061  425.394      8.61909  425.394      8.61909  425.394      8.61909  20.6218  0.147788  ?        ?         
1 1 1 36 0  5  o 8.83527  0.102627  78.1         1.81293  78.1         1.81293  78.1         1.81293  8.83634  0.0725485 ?        ?         
1 1 1 36 0  6  o 35.7017  0.358155  1276.33      25.5677  1276.33      25.5677  1276.33      25.5677  35.7136  0.253141  ?        ?         
1 1 1 36 0  7  o 6.4059   0.0930327 41.0646      1.19135  41.0646      1.19135  41.0646      1.19135  6.40703  0.0657567 ?        ?         
1 1 1 36 0  8  o 13.1412  0.161302  172.812      4.23798  172.812      4.23798  172.812      4.23798  13.1435  0.114019  ?        ?         
1 1 1 36 0  9  o 18.2606  0.183776  333.666      6.7102   333.666      6.7102   333.666      6.7102   18.2636  0.129913  ?        ?         
1 1 1 36 0  10 o 9.83353  0.106966  96.7442      2.10314  96.7442      2.10314  96.7442      2.10314  9.8347   0.0756171 ?        ?         
1 1 1 36 0  11 o 3.03855  0.130585  9.28551      0.790245 9.28551      0.790245 9.28551      0.790245 3.04291  0.0920084 ?        ?         
1 1 1 36 0  12 o 17.2     0.184019  296.053      6.32862  296.053      6.32862  296.053      6.32862  17.2031  0.130081  ?        ?         
1 1 1 36 0  13 o 4.07293  0.133757  16.646       1.0869   16.646       1.0869   16.646       1.0869   4.07645  0.0943819 ?        ?         
1 1 1 36 0  14 o 13.3569  0.149728  178.528      3.99868  178.528      3.99868  178.528      3.99868  13.3592  0.105841  ?        ?         
1 1 1 36 0  15 o 6.97715  0.11139   48.727       1.55347  48.727       1.55347  48.727       1.55347  6.97881  0.078723  ?        ?         
1 1 1 36 0  16 o 8.37513  0.155761  70.2452      2.607    70.2452      2.607    70.2452      2.607    8.37818  0.110056  ?        ?         
1 1 1 36 0  17 o 2.31745  0.222363  5.52296      1.00884  5.52296      1.00884  5.52296      1.00884  2.33432  0.154346  ?        ?         
1 1 1 36 0  18 o 6.83281  0.111577  46.7392      1.52385  46.7392      1.52385  46.7392      1.52385  6.83471  0.0788509 ?        ?         
1 1 1 36 0  19 o 6.39607  0.115442  40.9657      1.47566  40.9657      1.47566  40.9657      1.47566  6.39826  0.0815718 ?        ?         
1 1 1 36 0  20 o 0.45857  0.318932  -0.771174    0.988433 -0.771174    0.988433 -0.771174    0.988433 0.35627  0.252919  ?        ?         
1 1 1 36 0  21 f 7.13262  0.117886  50.9456      1.68064  50.9456      1.68064  50.9456      1.68064  7.13512  0.0833034 ?        ?         
1 1 1 36 0  22 o 0.601089 0.384339  0.132972     0.99974  0.132972     0.99974  0.132972     0.99974  0.515872 0.326662  ?        ?         
1 1 1 36 0  23 o 1.79639  0.30579   3.50908      1.00302  3.50908      1.00302  3.50908      1.00302  1.83993  0.197975  ?        ?         
1 1 1 36 0  24 o 1.1364   0.453728  1.80654      0.994308 1.80654      0.994308 1.80654      0.994308 1.22615  0.332309  ?        ?         
1 1 1 36 0  25 o 2.91436  0.189586  8.62572      1.09431  8.62572      1.09431  8.62572      1.09431  2.9258   0.132861  ?        ?         
1 1 1 36 0  26 o 0.513748 0.35297   -0.618665    1.11514  -0.618665    1.11514  -0.618665    1.11514  0.408062 0.28395   ?        ?         
1 1 1 36 0  27 o 9.11048  0.140026  83.2391      2.55006  83.2391      2.55006  83.2391      2.55006  9.11704  0.0989159 ?        ?         
1 1 1 36 0  28 o 1.10392  0.490621  1.80233      1.13756  1.80233      1.13756  1.80233      1.13756  1.18299  0.385423  ?        ?         
1 1 1 36 0  29 o 4.32923  0.17871   18.9288      1.54136  18.9288      1.54136  18.9288      1.54136  4.34003  0.125803  ?        ?         
1 1 1 36 0  30 o 3.69551  0.184139  13.841       1.35326  13.841       1.35326  13.841       1.35326  3.70801  0.129389  ?        ?         
1 1 1 36 0  31 o 2.84255  0.246618  8.35251      1.37777  8.35251      1.37777  8.35251      1.37777  2.86688  0.171312  ?        ?         
1 1 1 36 0  32 o 1.68236  0.401777  3.3479       1.17201  3.3479       1.17201  3.3479       1.17201  1.76872  0.248023  ?        ?         
1 1 1 36 0  33 o 2.65859  0.236814  7.33822      1.23621  7.33822      1.23621  7.33822      1.23621  2.68436  0.164227  ?        ?         
1 1 1 36 0  34 o 1.66578  0.439366  3.41161      1.2617   3.41161      1.2617   3.41161      1.2617   1.7716   0.270775  ?        ?         
1 1 1 36 0  35 o 3.01303  0.227823  9.39968      1.35483  9.39968      1.35483  9.39968      1.35483  3.03998  0.158553  ?        ?         
1 1 1 36 0  36 o 0.615848 0.41009   -0.124632    1.30307  -0.124632    1.30307  -0.124632    1.30307  0.517443 0.344633  ?        ?         
1 1 1 36 0  37 o 2.66441  0.269312  7.54427      1.4015   7.54427      1.4015   7.54427      1.4015   2.70687  0.185039  ?        ?         
1 1 1 36 0  38 o 1.18553  0.551931  2.37501      1.44427  2.37501      1.44427  2.37501      1.44427  1.31471  0.437536  ?        ?         
1 1 1 36 0  39 o 0.459924 0.33156   -1.62622     1.34728  -1.62622     1.34728  -1.62622     1.34728  0.355907 0.259568  ?        ?         
1 1 1 36 0  40 o 1.98748  0.434034  4.99164      1.50952  4.99164      1.50952  4.99164      1.50952  2.12891  0.25939   ?        ?         
1 1 1 36 0  41 o 0.776566 0.486711  1.04663      1.52492  1.04663      1.52492  1.04663      1.52492  0.758181 0.440744  ?        ?         
1 1 1 36 0  42 f 0.659718 0.457865  -0.0201366   1.95791  -0.0201366   1.95791  -0.0201366   1.95791  0.586524 0.400295  ?        ?         
1 1 1 36 0  43 o 0.777177 0.503105  1.58157      1.78515  1.58157      1.78515  1.58157      1.78515  0.81396  0.47522   ?        ?         
1 1 1 36 0  44 o 0.699275 0.467278  1.33794      1.7277   1.33794      1.7277   1.33794      1.7277   0.719078 0.4438    ?        ?         
1 1 1 36 1  0  o 35.9878  0.344251  1296.62      24.7726  1296.62      24.7726  1296.62      24.7726  35.998   0.243328  ?        ?         
1 1 1 36 1  1  o 4.17866  0.0590187 17.4621      0.493238 18.0577      0.715239 16.922       0.681101 4.2492   0.0841616 4.11342  0.08279   
1 1 1 36 1  2  o 21.9958  0.161096  484.002      7.08686  486.428      10.0736  481.624      9.97187  22.0463  0.228464  21.9372  0.227282  
1 1 1 36 1  3  o 14.4922  0.107807  210.059      3.1247   209.866      4.36257  210.264      4.47766  14.4842  0.150598  14.4978  0.154426  
1 1 1 36 1  4  o 3.56779  0.0639304 12.7299      0.45618  12.6943      0.645491 12.7655      0.644782 3.56267  0.090591  3.57266  0.0902385 
1 1 1 36 1  5  o 10.3829  0.0845645 107.817      1.75605  108.768      2.53095  106.934      2.43849  10.4279  0.121354  10.3397  0.117919  
1 1 1 36 1  6  o 7.24419  0.0738539 52.4832      1.07002  52.5268      1.52096  52.4405      1.50564  7.24684  0.10494   7.2409   0.103968  
1 1 1 36 1  7  o 3.45224  0.0697369 11.919       0.481496 12.5575      0.686257 11.2999      0.675742 3.54335  0.0968374 3.36122  0.10052   
1 1 1 36 1  8  o 28.0502  0.1953    787.405      10.9564  787.213      15.1563  787.615      15.8568  28.037   0.270291  28.0422  0.28273   
1 1 1 36 1  9  o 7.86049  0.0686966 61.7932      1.07998  62.8726      1.53521  60.7358      1.51954  7.92846  0.0968167 7.79255  0.0974996 
1 1 1 36 1  10 o 5.3112   0.0673975 28.2116      0.715923 26.9771      0.988895 29.5712      1.03781  5.19345  0.0952061 5.43741  0.0954325 
1 1 1 36 1  11 o 13.9619  0.10984   194.988      3.06716  196.803      4.55123  193.477      4.15151  14.0246  0.162259  13.9062  0.149269  
1 1 1 36 1  12 o 6.24314  0.0778061 38.9823      0.971508 39.3153      1.37502  38.6504      1.37282  6.2693   0.109663  6.21604  0.110426  
1 1 1 36 1  13 o 3.24905  0.107722  10.5595      0.699991 9.51307      0.96209  11.7364      1.02035  3.08335  0.156014  3.42486  0.148962  
1 1 1 36 1  14 o 3.13692  0.105479  9.84337      0.661755 9.04865      0.926914 10.6695      0.945076 3.00708  0.154122  3.26545  0.144708  
1 1 1 36 1  15 o 6.65447  0.0791103 44.2907      1.05287  43.6858      1.52375  44.8435      1.4565   6.60814  0.115294  6.69528  0.108771  
1 1 1 36 1  16 o 4.59965  0.0929048 21.1637      0.85466  20.8925      1.18479  21.4578      1.23406  4.56939  0.129644  4.6307   0.133248  
1 1 1 36 1  17 o 5.43682  0.0813252 29.5679      0.884302 30.5159      1.28303  28.7101      1.22049  5.52241  0.116166  5.35659  0.113924  
1 1 1 36 1  18 o 8.37339  0.0825981 70.1391      1.38325  69.7687      1.96901  70.5001      1.94367  8.3497   0.117909  8.39346  0.115785  
1 1 1 36 1  19 o 9.56515  0.0881367 91.5357      1.68608  91.1972      2.46896  91.8314      2.30812  9.5448   0.129336  9.57859  0.120483  
1 1 1 36 1  20 o 4.82494  0.0969097 23.2958      0.935166 23.707       1.35596  22.9228      1.29144  4.86553  0.139344  4.78459  0.134959  
1 1 1 36 1  21 o 0.779524 0.302967  0.381016     0.678028 1.08245      0.92344  -0.439464    0.998732 1.07189  0.362281  0.735916 0.329293  
1 1 1 36 1  22 o 2.21224  0.158077  4.90727      0.699406 5.17512      0.958437 4.60215      1.02293  2.26942  0.211163  2.13865  0.239153  
1 1 1 36 1  23 o 8.22789  0.0833906 67.7576      1.37226  68.5091      1.9494   67.0194      1.93205  8.26975  0.117863  8.17932  0.118106  
1 1 1 36 1  24 o 3.76073  0.106488  14.1666      0.800943 14.5629      1.13351  13.7714      1.1319   3.8099   0.148759  3.70459  0.152769  
1 1 1 36 1  25 o 3.3223   0.120504  11.0655      0.800701 10.7575      1.09745  11.4161      1.17083  3.27184  0.167712  3.3699   0.173719  
1 1 1 36 1  26 o 6.09062  0.0926686 37.1596      1.12882  36.5819      1.62444  37.699       1.56974  6.03738  0.134532  6.12991  0.12804   
1 1 1 36 1  27 o 4.37299  0.10911   19.1751      0.954271 20.1943      1.34784  18.1508      1.35125  4.48226  0.150352  4.24813  0.159041  
1 1 1 36 1  28 o 1.65755  0.257277  2.79784      0.852898 2.64702      1.2285   2.93818      1.18504  1.56416  0.3929    1.6529   0.36805   
1 1 1 36 1  29 o 2.39297  0.182144  5.78602      0.87173  5.22979      1.25178  6.30978      1.21468  2.25957  0.276995  2.48855  0.244054  
1 1 1 36 1  30 o 4.61084  0.115236  21.3615      1.06267  22.039       1.51231  20.7007      1.49355  4.67245  0.161833  4.52753  0.164941  
1 1 1 36 1  31 o 3.39263  0.14492   11.6055      0.98332  12.1034      1.36519  11.0687      1.41754  3.45239  0.197717  3.29696  0.214976  
1 1 1 36 1  32 o 2.01217  0.208626  4.13521      0.839583 4.59342      1.19551  3.68931      1.17935  2.10227  0.284339  1.84772  0.331128  
1 1 1 36 1  33 o 1.98431  0.215614  4.04018      0.855687 4.54608      1.20911  3.53258      1.21115  2.08328  0.290193  1.79305  0.350227  
1 1 1 36 1  34 o 2.53922  0.180202  6.57798      0.915144 7.65794      1.30219  5.5241       1.28637  2.71865  0.239492  2.29426  0.280346  
1 1 1 36 1  35 o 2.29203  0.206193  5.41982      0.945199 3.93162      1.3274   6.95054      1.34623  1.86622  0.368763  2.57179  0.261729  
1 1 1 36 1  36 o 0.797873 0.336256  0.219098     0.917102 0.217619     1.29791  0.220572     1.29605  0.914806 0.393268  0.91481  0.393118  
1 1 1 36 1  37 o 2.93849  0.172685  8.88874      1.01486  8.21634      1.44117  9.55018      1.42937  2.77607  0.259569  3.00811  0.237586  
1 1 1 36 1  38 o 0.736623 0.327059  -0.0887572   0.967214 -0.236807    1.36797  0.0592374    1.36772  0.836571 0.37932   0.878744 0.389698  
1 1 1 36 1  39 o 1.52435  0.332831  2.77724      0.986663 1.82456      1.39916  3.71963      1.39158  1.19547  0.442097  1.69938  0.412917  
1 1 1 36 1  40 o 1.27884  0.372199  2.13936      1.00919  2.7826       1.4065   1.45678      1.44887  1.38665  0.446793  1.07749  0.434964  
1 1 1 36 1  41 o 1.59445  0.352353  3.35491      1.09362  2.33706      1.49135  4.53895      1.6085   1.19952  0.453644  1.70497  0.460752  
1 1 1 36 1  42 o 0.619542 0.300514  -1.04235     1.1674   -1.39882     1.65112  -0.686032    1.65078  0.702824 0.344781  0.754209 0.364079  
1 1 1 36 1  43 o 1.77406  0.370661  4.88767      1.27238  5.0899       1.74471  4.65792      1.85961  1.48307  0.497969  1.32708  0.505191  
1 1 1 36 1  44 o 0.547979 0.27288   -1.21958     1.19044  -0.444404    1.68055  -2.00027     1.68653  0.658029 0.3272    0.584425 0.295459  
1 1 1 36 2  0  o 22.7066  0.224163  515.938      10.1777  515.938      10.1777  515.938      10.1777  22.7104  0.158463  ?        ?         
1 1 1 36 2  1  o 5.61426  0.0618317 31.5218      0.694279 31.0533      0.994315 31.9674      0.969858 5.5722   0.089221  5.65365  0.0857728 
1 1 1 36 2  2  o 26.7569  0.192666  716.35       10.3103  718.661      14.4545  713.955      14.7108  26.7922  0.269752  26.7037  0.275445  
1 1 1 36 2  3  o 8.89958  0.0724946 79.2092      1.29034  77.7028      1.76372  80.944       1.89275  8.8142   0.10005   8.99607  0.105199  
1 1 1 36 2  4  o 21.5557  0.15108   464.824      6.51328  466.085      9.02971  463.457      9.40402  21.581   0.209205  21.5194  0.218501  
1 1 1 36 2  5  o 17.4196  0.122037  303.52       4.25167  302.956      5.93691  304.115      6.09161  17.4012  0.170589  17.4342  0.174703  
1 1 1 36 2  6  o 8.95462  0.0739888 80.1932      1.32508  80.7431      1.80525  79.5507      1.95114  8.98488  0.10046   8.91814  0.109392  
1 1 1 36 2  7  o 9.89938  0.0794534 98.0097      1.57308  99.9555      2.21139  96.0165      2.23819  9.99658  0.110607  9.79755  0.114222  
1 1 1 36 2  8  o 11.8918  0.0914254 141.44       2.17443  140.101      2.98918  142.944      3.1689   11.8345  0.126291  11.9538  0.132548  
1 1 1 36 2  9  o 9.97881  0.0804148 99.5902      1.60489  102.504      2.30494  96.8479      2.23594  10.1231  0.113846  9.8398   0.113617  
1 1 1 36 2  10 o 2.21925  0.111783  4.92641      0.49615  4.47789      0.712422 5.34882      0.691376 2.11545  0.168385  2.31219  0.149507  
1 1 1 36 2  11 o 12.8622  0.0987346 165.472      2.53988  164.174      3.56656  166.809      3.61787  12.8102  0.139208  12.9126  0.140091  
1 1 1 36 2  12 o 13.1984  0.115126  174.255      3.03897  177.039      4.39621  171.708      4.20562  13.3011  0.165257  13.0995  0.160526  
1 1 1 36 2  13 o 6.80169  0.0768948 46.2703      1.04603  44.1955      1.4914   48.2792      1.46751  6.64684  0.112189  6.94727  0.105618  
1 1 1 36 2  14 o 13.3653  0.102134  178.686      2.73009  177.939      3.9498   179.369      3.77781  13.335   0.148099  13.3889  0.14108   
1 1 1 36 2  15 o 4.02013  0.105227  16.1674      0.846055 17.4626      1.20723  14.9173      1.18606  4.17736  0.144497  3.86076  0.153604  
1 1 1 36 2  16 o 5.59761  0.0808006 31.3415      0.904581 32.5951      1.28452  30.1083      1.27408  5.70773  0.112525  5.48559  0.11613   
1 1 1 36 2  17 o 7.17691  0.0831908 51.5251      1.19411  53.1866      1.78387  50.1763      1.60733  7.29029  0.122346  7.08133  0.113491  
1 1 1 36 2  18 o 6.2515   0.0812617 39.0957      1.01602  37.9625      1.43371  40.2388      1.44003  6.15906  0.116391  6.34114  0.113547  
1 1 1 36 2  19 o 10.3336  0.0928951 106.843      1.91989  106.075      2.8456   107.485      2.60111  10.2929  0.138231  10.3622  0.12551   
1 1 1 36 2  20 o 3.31331  0.110663  10.9883      0.733322 11.0972      1.02838  10.8756      1.04599  3.32818  0.154495  3.29461  0.158743  
1 1 1 36 2  21 o 5.46695  0.0872062 29.9096      0.953505 31.7586      1.27558  27.568       1.43545  5.632    0.113244  5.2458   0.136819  
1 1 1 36 2  22 o 1.20539  0.287231  1.52505      0.683576 1.05115      0.93982  2.05739      0.996076 1.06409  0.365404  1.39765  0.355422  
1 1 1 36 2  23 o 6.06967  0.0850272 36.8762      1.03217  38.2588      1.47456  35.548       1.44531  6.17952  0.11931   5.95639  0.121324  
1 1 1 36 2  24 o 4.4718   0.0946786 20.0242      0.846768 20.1812      1.19087  19.8636      1.20426  4.48629  0.132723  4.45061  0.135292  
1 1 1 36 2  25 o 4.12447  0.102957  17.0437      0.849283 18.1854      1.20227  15.9066      1.19987  4.25676  0.141219  3.98014  0.150732  
1 1 1 36 2  26 o 1.34828  0.285454  1.91699      0.746163 2.32182      1.10295  1.57536      1.01321  1.47459  0.373418  1.23307  0.376402  
1 1 1 36 2  27 o 0.796813 0.319723  0.325053     0.776175 -0.734544    1.08815  1.42259      1.10746  0.722944 0.331106  1.19527  0.396739  
1 1 1 36 2  28 f 1.09574  0.344969  1.23469      0.842291 1.14662      1.20756  1.31813      1.17545  1.13408  0.411693  1.17259  0.408069  
1 1 1 36 2  29 o 2.37319  0.179438  5.69067      0.851684 7.03235      1.24204  4.49992      1.1701   2.62789  0.236319  2.09467  0.279304  
1 1 1 36 2  30 o 2.2798   0.196121  5.26914      0.894234 4.80728      1.26148  5.73564      1.26782  2.15949  0.292079  2.36438  0.268107  
1 1 1 36 2  31 o 5.43965  0.111691  29.737       1.21512  29.3288      1.68495  30.1793      1.754    5.38928  0.156325  5.46544  0.160463  
1 1 1 36 2  32 o 0.857529 0.331022  0.548632     0.806551 0.755628     1.14775  0.34669      1.13365  1.00588  0.393513  0.912754 0.378611  
1 1 1 36 2  33 o 4.6708   0.114738  21.9811      1.07184  23.8582      1.55744  20.2921      1.47734  4.84862  0.160606  4.46968  0.165263  
1 1 1 36 2  34 f 4.83187  0.111386  23.5321      1.0764   24.3524      1.53059  22.7295      1.51407  4.89641  0.156297  4.72864  0.160095  
1 1 1 36 2  35 f 3.39467  0.146716  11.7099      0.996105 13.7354      1.43488  9.82575      1.38392  3.65372  0.196358  3.07684  0.224892  
1 1 1 36 2  36 o 1.23934  0.356478  1.7538       0.931095 1.85931      1.30999  1.64609      1.32366  1.27326  0.431494  1.21908  0.432162  
1 1 1 36 2  37 o 2.55685  0.199712  6.80753      1.02127  7.73379      1.41604  5.80349      1.4743   2.68648  0.263549  2.28987  0.321918  
1 1 1 36 2  38 o 1.24754  0.363945  1.87288      0.963826 2.39378      1.37575  1.37078      1.3507   1.3658   0.442063  1.1139   0.428706  
1 1 1 36 2  39 o 0.61225  0.29181   -0.906796    0.979067 -1.5413      1.40542  -0.308523    1.3647   0.690412 0.33378   0.80782  0.370323  
1 1 1 36 2  40 o 1.06184  0.378692  1.4449       1.01774  2.3622       1.41598  0.464575     1.46381  1.2739   0.447443  0.909975 0.403401  
1 1 1 36 2  41 o 0.846015 0.362663  0.669184     1.0983   0.272106     1.51711  1.10646      1.59206  0.849726 0.389918  0.967149 0.425637  
1 1 1 36 2  42 o 1.5832   0.391765  3.7299       1.23533  2.64708      1.80399  4.68598      1.69513  1.14627  0.476672  1.60397  0.486309  
1 1 1 36 2  43 o 0.741242 0.343352  0.426378     1.21074  1.4943       1.65804  -0.793601    1.77216  0.885737 0.406939  0.704104 0.347241  
1 1 1 36 2  44 o 0.61462  0.299658  -0.323819    1.1962   -1.12563     1.64042  0.586684     1.74808  0.618268 0.309134  0.724596 0.355237  
1 1 1 36 3  0  o 25.8513  0.254328  668.838      13.1466  668.838      13.1466  668.838      13.1466  25.8566  0.179781  ?        ?         
1 1 1 36 3  1  o 16.1967  0.117861  262.393      3.81793  263.445      5.42558  261.361      5.37355  16.2272  0.167175  16.1629  0.166231  
1 1 1 36 3  2  o 20.0484  0.14388   402.078      5.76913  403.111      7.99518  400.955      8.33286  20.0709  0.199173  20.0165  0.20815   
1 1 1 36 3  3  o 6.99673  0.0657308 48.9578      0.919801 48.715       1.27131  49.2244      1.33243  6.97911  0.0910796 7.01547  0.0949638 
1 1 1 36 3  4  o 7.13742  0.0650709 50.9466      0.928877 52.7562      1.34109  49.278       1.28779  7.26279  0.0923263 7.0193   0.0917319 
1 1 1 36 3  5  o 20.9217  0.14508   437.886      6.07065  440.961      8.5496   434.758      8.62123  20.991   0.203649  20.8426  0.206818  
1 1 1 36 3  6  o 26.7394  0.188294  715.49       10.0697  724.764      14.2512  706.243      14.2303  26.903   0.264863  26.5566  0.267924  
1 1 1 36 3  7  o 4.12379  0.0663564 17.0071      0.547279 16.1913      0.759913 17.8862      0.788837 4.02348  0.0944347 4.22884  0.0932688 
1 1 1 36 3  8  o 11.1508  0.0875762 124.36       1.95309  121.159      2.78258  127.469      2.74203  11.0054  0.126419  11.2885  0.121453  
1 1 1 36 3  9  o 11.6977  0.0891775 136.86       2.08635  134.598      2.92128  139.215      2.98071  11.5997  0.125921  11.7969  0.126334  
1 1 1 36 3  10 o 6.21228  0.0787658 38.5977      0.97863  36.7331      1.35836  40.61        1.41114  6.05994  0.112077  6.37173  0.110734  
1 1 1 36 3  11 o 12.5672  0.102993  157.973      2.58867  158.382      3.57153  157.521      3.7574   12.582   0.141931  12.5474  0.149728  
1 1 1 36 3  12 o 11.7357  0.0939792 137.758      2.20583  138.754      3.3145   136.966      2.95532  11.7764  0.140727  11.7008  0.126287  
1 1 1 36 3  13 o 8.79019  0.0834482 77.2826      1.46705  80.2895      2.27734  75.1496      1.91807  8.95839  0.127106  8.66739  0.110649  
1 1 1 36 3  14 o 9.96442  0.0904491 99.3149      1.80255  97.9259      2.63685  100.533      2.46972  9.89302  0.133268  10.0243  0.123187  
1 1 1 36 3  15 o 6.04837  0.085383  36.5923      1.03286  37.9701      1.49948  35.3485      1.42474  6.16034  0.121704  5.94391  0.119849  
1 1 1 36 3  16 o 3.53447  0.102465  12.4982      0.724319 12.9677      1.06573  12.0952      0.987426 3.59931  0.148047  3.47625  0.142024  
1 1 1 36 3  17 o 15.4453  0.121583  238.737      3.75578  233.243      5.36937  244          5.2554   15.2603  0.175926  15.6093  0.168342  
1 1 1 36 3  18 f 5.10783  0.0858426 26.1011      0.876938 26.2332      1.27113  25.9811      1.21138  5.11953  0.124145  5.09506  0.118878  
1 1 1 36 3  19 o 4.96956  0.0861359 24.709       0.856116 24.2384      1.21158  25.1782      1.20988  4.92069  0.123111  5.01529  0.120619  
1 1 1 36 3  20 o 5.11677  0.0841034 26.1964      0.860676 26.6905      1.21956  25.7062      1.21481  5.16332  0.118098  5.06713  0.119872  
1 1 1 36 3  21 o 3.15243  0.118668  9.95228      0.748185 10.164       0.986867 9.66616      1.14736  3.18418  0.154964  3.10361  0.184844  
1 1 1 36 3  22 o 9.07972  0.0863428 82.5127      1.56794  83.2739      2.15859  81.6625      2.28129  9.118    0.11837   9.02832  0.126341  
1 1 1 36 3  23 o 1.61286  0.21774   2.61839      0.702366 1.67516      0.976849 3.62794      1.0106   1.26797  0.365268  1.89539  0.266595  
1 1 1 36 3  24 o 10.127   0.0924604 102.694      1.87268  103.984      2.65563  101.418      2.64118  10.1834  0.13039   10.0568  0.131313  
1 1 1 36 3  25 o 6.12159  0.0870153 37.527       1.06534  38.1983      1.49869  36.8413      1.51469  6.17195  0.121411  6.06084  0.124957  
1 1 1 36 3  26 o 2.28279  0.172857  5.24393      0.789194 4.96582      1.12506  5.51333      1.10733  2.21352  0.254133  2.33437  0.23718   
1 1 1 36 3  27 o 5.14179  0.0999175 26.5037      1.02751  26.5225      1.45597  26.485       1.45028  5.13722  0.141708  5.13367  0.141252  
1 1 1 36 3  28 o 3.7489   0.128652  14.1223      0.964609 14.96        1.44123  13.4425      1.29827  3.84828  0.187257  3.64967  0.177861  
1 1 1 36 3  29 o 0.724355 0.314076  -0.0790495   0.841338 -1.1374      1.16422  1.07785      1.21722  0.697162 0.327152  1.11336  0.412228  
1 1 1 36 3  30 o 1.47593  0.311873  2.33406      0.892145 2.45079      1.23785  2.20789      1.28695  1.49571  0.404192  1.42562  0.422033  
1 1 1 36 3  31 o 3.72092  0.131378  13.9413      0.977692 14.0511      1.37298  13.8284      1.39255  3.72285  0.184399  3.69208  0.188587  
1 1 1 36 3  32 o 0.949673 0.336991  0.853676     0.805037 1.32282      1.14245  0.390977     1.13458  1.14809  0.402037  0.921713 0.380311  
1 1 1 36 3  33 o 3.85808  0.124585  15.0194      0.961319 15.5944      1.36207  14.4486      1.35696  3.91455  0.173976  3.76563  0.180177  
1 1 1 36 3  34 o 2.35775  0.189968  5.69102      0.895796 5.26724      1.26423  6.11832      1.26948  2.23679  0.282599  2.41911  0.262386  
1 1 1 36 3  35 o 1.4788   0.315412  2.42729      0.905311 2.82923      1.28515  2.03136      1.27551  1.55793  0.407731  1.32918  0.4252    
1 1 1 36 3  36 o 1.41537  0.336986  2.27867      0.94152  4.23284      1.33792  0.361481     1.3252   1.92876  0.360213  0.942447 0.400996  
1 1 1 36 3  37 o 0.876405 0.355597  0.551595     0.975294 0.567912     1.36054  0.534346     1.3988   0.970887 0.409384  0.973077 0.412935  
1 1 1 36 3  38 o 2.13126  0.222513  4.82814      0.948467 4.94365      1.32911  4.70828      1.35391  2.09293  0.317523  2.03071  0.333358  
1 1 1 36 3  39 o 1.92395  0.255828  4.08733      0.984399 2.71848      1.45401  5.24571      1.33757  1.39516  0.454596  2.12814  0.314257  
1 1 1 36 3  40 o 0.5413   0.26663   -1.6464      1.00982  -0.375761    1.47889  -2.75633     1.38221  0.803682 0.375034  0.58535  0.291845  
1 1 1 36 3  41 o 0.892452 0.371028  0.933717     1.09254  3.26233      1.47576  -1.89038     1.6252   1.39631  0.457983  0.677479 0.333731  
1 1 1 36 3  42 o 0.828573 0.365686  0.74647      1.18499  2.49126      1.76758  -0.677848    1.59702  1.09421  0.464256  0.728736 0.352912  
1 1 1 36 3  43 o 1.03365  0.402211  2.06793      1.19573  2.12263      1.62437  2.00323      1.7666   0.97421  0.42929   0.945569 0.429495  
1 1 1 36 4  0  o 16.1514  0.170748  261.02       5.51425  261.02       5.51425  261.02       5.51425  16.1537  0.120704  ?        ?         
1 1 1 36 4  1  f 20.4907  0.143661  420.02       5.88744  416.875      8.26831  423.254      8.38511  20.4101  0.202554  20.5656  0.203863  
1 1 1 36 4  2  o 3.89964  0.0644555 15.2083      0.502706 15.533       0.684347 14.8278      0.740882 3.94093  0.0868256 3.85036  0.0962094 
1 1 1 36 4  3  o 5.38681  0.0631542 29.0198      0.680399 28.8863      0.959165 29.1551      0.965323 5.3742   0.0892379 5.39915  0.0893958 
1 1 1 36 4  4  o 7.52466  0.0666787 56.6253      1.00347  57.6372      1.43701  55.6622      1.40188  7.59127  0.0946487 7.46008  0.0939588 
1 1 1 36 4  5  o 10.1779  0.0777881 103.602      1.58344  102.784      2.20607  104.471      2.27411  10.137   0.108813  10.2199  0.111259  
1 1 1 36 4  6  o 11.065   0.0841128 122.452      1.86141  120.847      2.66896  123.971      2.59737  10.9914  0.121411  11.1327  0.116655  
1 1 1 36 4  7  o 12.0025  0.0878021 144.083      2.10769  142.05       2.94723  146.212      3.01539  11.9166  0.123661  12.0898  0.124708  
1 1 1 36 4  8  o 6.40355  0.0659993 41.0092      0.84526  39.788       1.18613  42.2692      1.20484  6.30717  0.0940306 6.50088  0.0926674 
1 1 1 36 4  9  o 13.4605  0.102059  181.227      2.74754  180.318      3.77352  182.253      4.00831  13.4253  0.140537  13.4968  0.148491  
1 1 1 36 4  10 o 10.9103  0.0939367 119.059      2.04975  117.388      2.82156  120.925      2.98273  10.8325  0.130236  10.9943  0.135649  
1 1 1 36 4  11 o 10.8176  0.111292  117.056      2.40781  144.251      4.32822  104.867      2.89756  12.0056  0.180259  10.2379  0.141511  
1 1 1 36 4  12 o 19.224   0.134366  369.743      5.16613  364.452      7.22515  375.279      7.38965  19.0813  0.189325  19.3625  0.190823  
1 1 1 36 4  13 o 17.7643  0.129893  315.728      4.61492  308.265      6.47138  323.452      6.58303  17.5486  0.184384  17.9758  0.183108  
1 1 1 36 4  14 o 2.97132  0.126123  8.83336      0.749504 8.82719      1.09733  8.83876      1.02616  2.96939  0.184774  2.97155  0.172664  
1 1 1 36 4  15 o 8.55632  0.0860996 73.2319      1.47339  75.8034      2.16476  71.0126      2.0111   8.70385  0.124356  8.42452  0.11936   
1 1 1 36 4  16 o 17.3251  0.136301  300.419      4.72285  294.329      6.76696  306.202      6.59462  17.1404  0.197398  17.4841  0.188589  
1 1 1 36 4  17 o 11.2512  0.0964479 126.652      2.1703   128.407      3.12084  125.009      3.02018  11.3259  0.137774  11.1753  0.135127  
1 1 1 36 4  18 f 4.01922  0.097579  16.1636      0.784383 16.2031      1.11144  16.1243      1.10714  4.02294  0.138138  4.01315  0.137939  
1 1 1 36 4  19 o 3.55553  0.103691  12.6516      0.737356 12.0838      1.04406  13.2166      1.04151  3.47333  0.150296  3.63274  0.14335   
1 1 1 36 4  20 o 3.04919  0.117791  9.30894      0.718336 9.20144      0.968399 9.44044      1.07111  3.02997  0.159803  3.06841  0.174538  
1 1 1 36 4  21 o 5.62286  0.0884395 31.643       0.994565 34.3362      1.33594  28.2944      1.48964  5.85565  0.114072  5.31368  0.14017   
1 1 1 36 4  22 f 1.83227  0.187486  3.37167      0.68705  3.93594      0.94682  2.74412      0.99851  1.97696  0.239464  1.61922  0.319711  
1 1 1 36 4  23 o 5.4609   0.0848548 29.8523      0.926768 30.9531      1.31874  28.778       1.3027   5.55791  0.118636  5.35881  0.121548  
1 1 1 36 4  24 o 3.91005  0.105546  15.3168      0.825378 16.0184      1.15774  14.5916      1.17702  3.99527  0.144889  3.81229  0.154372  
1 1 1 36 4  25 o 2.74076  0.137084  7.5393       0.751428 7.87817      1.08558  7.22758      1.04117  2.79657  0.194091  2.67858  0.194351  
1 1 1 36 4  26 o 4.3979   0.104772  19.3879      0.921555 19.5113      1.27211  19.2516      1.33685  4.40722  0.144321  4.37661  0.152727  
1 1 1 36 4  27 o 3.27986  0.130901  10.8057      0.858678 10.054       1.23445  11.5103      1.19521  3.15516  0.195624  3.37899  0.176859  
1 1 1 36 4  28 o 6.52401  0.102339  42.6969      1.33532  40.4663      2.00494  44.4751      1.79011  6.33756  0.158179  6.65091  0.134577  
1 1 1 36 4  29 o 1.47356  0.296093  2.31157      0.841916 2.11679      1.13505  2.54981      1.25532  1.396    0.391062  1.52564  0.40468   
1 1 1 36 4  30 o 2.98106  0.15523   8.96641      0.925498 7.63361      1.27421  10.4547      1.34648  2.73524  0.232925  3.207    0.209928  
1 1 1 36 4  31 o 1.82864  0.227331  3.41648      0.831413 2.7646       1.18531  4.04785      1.16651  1.58546  0.378502  1.97578  0.295201  
1 1 1 36 4  32 o 2.10056  0.195963  4.49948      0.823268 4.50802      1.1749   4.49124      1.15393  2.08093  0.282303  2.0784   0.277601  
1 1 1 36 4  33 o 2.53642  0.174295  6.54927      0.884172 6.32768      1.24126  6.77752      1.25976  2.46964  0.251305  2.55775  0.246263  
1 1 1 36 4  34 o 0.926109 0.344826  0.769844     0.854097 0.200016     1.21089  1.33403      1.20488  0.895485 0.382232  1.14436  0.411648  
1 1 1 36 4  35 o 1.18219  0.350401  1.56434      0.886785 2.35876      1.25189  0.7643       1.25632  1.42267  0.414701  1.01269  0.40659   
1 1 1 36 4  36 o 3.0096   0.163634  9.27129      0.984946 9.48221      1.37986  9.05219      1.40636  3.01041  0.229182  2.93535  0.239556  
1 1 1 36 4  37 o 0.627295 0.294752  -0.799919    0.954598 -1.25226     1.32818  -0.316571    1.37295  0.710792 0.339038  0.832947 0.378418  
1 1 1 36 4  38 o 0.878227 0.351996  0.646039     0.93928  1.13333      1.27388  0.0654831    1.39045  1.04726  0.413214  0.878712 0.390984  
1 1 1 36 4  39 o 0.630518 0.296882  -0.722774    0.978281 -0.171914    1.45261  -1.17999     1.3234   0.837447 0.383134  0.69351  0.332608  
1 1 1 36 4  40 o 1.10075  0.384942  1.60641      1.04706  2.39697      1.50535  0.865449     1.45736  1.26111  0.459478  0.962385 0.415267  
1 1 1 36 4  41 o 0.950654 0.387022  1.23017      1.15934  0.766673     1.53425  1.84708      1.77004  0.899294 0.405047  1.05728  0.456951  
1 1 1 36 4  42 f 0.893244 0.381961  1.2382       1.213    2.20488      1.74985  0.343986     1.68299  1.01982  0.447537  0.808587 0.384093  
1 1 1 36 4  43 o 0.951866 0.389114  1.67947      1.17677  2.79272      1.60846  0.397304     1.72617  1.08022  0.449707  0.786785 0.377953  
1 1 1 36 5  0  o 24.2122  0.238726  586.71       11.5576  586.71       11.5576  586.71       11.5576  24.2171  0.168752  ?        ?         
1 1 1 36 5  1  o 4.9302   0.061531  24.3085      0.60672  24.2572      0.861818 24.359       0.854294 4.9248   0.0874978 4.93514  0.0865522 
1 1 1 36 5  2  o 14.2928  0.104148  204.325      2.97712  204.227      4.16222  204.429      4.26004  14.2879  0.145656  14.2948  0.149006  
1 1 1 36 5  3  f 5.07038  0.0636425 25.7108      0.645384 25.5071      0.909652 25.9173      0.9158   5.05006  0.0900636 5.0905   0.0899519 
1 1 1 36 5  4  o 14.0567  0.104132  197.635      2.92751  198.43       4.05844  196.773      4.22697  14.0836  0.144084  14.0244  0.150701  
1 1 1 36 5  5  o 16.1734  0.113042  261.646      3.65655  262.947      5.08694  260.255      5.25968  16.2116  0.156892  16.128   0.16306   
1 1 1 36 5  6  o 13.5648  0.0993002 184.041      2.69397  182.057      3.68728  186.312      3.94551  13.4902  0.136665  13.6466  0.14456   
1 1 1 36 5  7  o 29.7829  0.20026   887.775      11.9286  889.314      16.728   886.182      17.015   29.7963  0.280705  29.7428  0.286034  
1 1 1 36 5  8  o 13.6326  0.100874  185.89       2.75035  185.78       3.79941  186.011      3.9865   13.6272  0.139405  13.6354  0.146182  
1 1 1 36 5  9  o 10.9412  0.0919796 119.733      2.01274  119.729      2.84699  119.738      2.84589  10.9399  0.130119  10.9404  0.130064  
1 1 1 36 5  10 o 14.6504  0.114293  214.701      3.34888  213.026      4.76708  216.333      4.70558  14.5907  0.163361  14.7037  0.160014  
1 1 1 36 5  11 o 18.3782  0.133467  337.914      4.90576  333.876      6.79707  342.305      7.08763  18.2639  0.186079  18.4925  0.191635  
1 1 1 36 5  12 o 22.2565  0.155877  495.695      6.93855  493.366      9.8865   497.956      9.74031  22.1961  0.222708  22.2998  0.218395  
1 1 1 36 5  13 o 2.12871  0.15627   4.53485      0.665308 4.93006      0.984563 4.20274      0.902553 2.21868  0.221881  2.04851  0.220295  
1 1 1 36 5  14 o 14.974   0.120186  224.337      3.59933  221.928      5.06065  226.803      5.1203   14.8895  0.16994   15.0522  0.170085  
1 1 1 36 5  15 o 13.2198  0.110339  174.854      2.9173   171.829      4.29456  177.446      3.97529  13.1007  0.163906  13.3144  0.149285  
1 1 1 36 5  16 o 14.7427  0.116099  217.491      3.42322  216.982      4.83538  218.002      4.84696  14.7205  0.16424   14.7551  0.164247  
1 1 1 36 5  17 o 2.80103  0.120461  7.85221      0.67483  6.78162      0.939713 8.99223      0.969701 2.60176  0.180592  2.99649  0.161806  
1 1 1 36 5  18 o 10.5145  0.0935853 110.617      1.968    110.761      2.82567  110.481      2.74253  10.5181  0.134324  10.5051  0.130534  
1 1 1 36 5  19 o 8.56871  0.0829408 73.4614      1.42139  73.2477      1.97725  73.6901      2.04475  8.55406  0.115574  8.57957  0.119164  
1 1 1 36 5  20 o 13.5428  0.105898  183.606      2.86832  184.456      4.01685  182.721      4.09718  13.5673  0.148034  13.5026  0.151718  
1 1 1 36 5  21 o 3.39723  0.11019   11.5567      0.748681 11.8096      1.00462  11.2408      1.12279  3.43244  0.146343  3.34751  0.167706  
1 1 1 36 5  22 o 4.45842  0.0914918 19.8991      0.815818 20.8821      1.14122  18.8718      1.16668  4.56505  0.124995  4.33907  0.134439  
1 1 1 36 5  23 f 6.43163  0.0825918 41.4078      1.0624   41.3847      1.50834  41.4305      1.49665  6.42645  0.117354  6.43012  0.116378  
1 1 1 36 5  24 o 4.05431  0.100636  16.4666      0.816021 16.367       1.12411  16.5776      1.18647  4.03872  0.139166  4.06394  0.145975  
1 1 1 36 5  25 o 4.70627  0.0958869 22.19        0.90254  22.7397      1.26013  21.6109      1.29328  4.76027  0.132359  4.63974  0.13937   
1 1 1 36 5  26 o 0.791985 0.311768  0.379673     0.723615 0.515512     1.01823  0.241068     1.02854  0.930999 0.368769  0.871895 0.361084  
1 1 1 36 5  27 o 4.70585  0.102801  22.2094      0.967535 22.659       1.39747  21.7954      1.34088  4.74615  0.147222  4.65541  0.144013  
1 1 1 36 5  28 o 2.55695  0.164739  6.5931       0.84246  6.15909      1.25042  6.95389      1.14005  2.45705  0.254455  2.61772  0.217756  
1 1 1 36 5  29 o 1.23994  0.339985  1.65376      0.867996 2.63177      1.22843  0.678612     1.22663  1.54969  0.395074  1.02011  0.404536  
1 1 1 36 5  30 o 0.73455  0.315236  -0.00132455  0.831454 1.66886      1.15582  -1.79255     1.19697  1.25874  0.404968  0.639615 0.309017  
1 1 1 36 5  31 o 1.90008  0.215641  3.6869       0.819472 3.75745      1.16618  3.61808      1.15177  1.89797  0.307219  1.86191  0.309298  
1 1 1 36 5  32 o 1.97399  0.217684  3.99585      0.859412 3.25059      1.25513  4.65366      1.1792   1.7092   0.377279  2.11336  0.278988  
1 1 1 36 5  33 o 2.01972  0.212129  4.19061      0.856881 4.93396      1.19862  3.41361      1.22545  2.17136  0.276008  1.75191  0.362063  
1 1 1 36 5  34 o 0.667189 0.299996  -0.300273    0.838058 -1.34035     1.17328  0.783147     1.19748  0.664433 0.317336  1.00774  0.399678  
1 1 1 36 5  35 o 1.46758  0.319974  2.3996       0.913126 0.953557     1.28612  3.86941      1.29665  1.05874  0.416003  1.85128  0.363149  
1 1 1 36 5  36 o 1.17599  0.357937  1.57532      0.917129 2.21887      1.30381  0.945018     1.29033  1.36428  0.429134  1.04637  0.41492   
1 1 1 36 5  37 o 1.22634  0.358517  1.78489      0.934327 2.50924      1.31856  1.0544       1.32413  1.41184  0.429075  1.05061  0.419148  
1 1 1 36 5  38 o 1.22674  0.354807  1.82262      0.919893 2.20148      1.26813  1.40186      1.3364   1.30866  0.424505  1.10784  0.426418  
1 1 1 36 5  39 o 0.766322 0.335075  0.187112     0.973601 0.287496     1.41212  0.0961595    1.34415  0.883795 0.393611  0.84239  0.379286  
1 1 1 36 5  40 o 0.663749 0.309412  -0.427093    1.00331  -3.30464     1.45837  2.15867      1.38246  0.571241 0.287432  1.20359  0.440147  
1 1 1 36 5  41 o 0.677238 0.318993  -0.428249    1.13135  1.27262      1.54049  -2.41977     1.66693  0.967295 0.422229  0.649581 0.323396  
1 1 1 36 5  42 o 0.675131 0.320811  -0.221445    1.17501  0.432458     1.68148  -0.845481    1.64263  0.807098 0.38364   0.702691 0.344453  
1 1 1 36 5  43 o 0.954664 0.391273  1.77465      1.19295  1.6244       1.61607  1.95455      1.76839  0.891575 0.406519  0.920851 0.421893  
1 1 1 36 6  0  o 27.9142  0.280747  780.054      15.6701  780.054      15.6701  780.054      15.6701  27.9218  0.198442  ?        ?         
1 1 1 36 6  1  o 13.1389  0.0971922 172.662      2.55399  170.567      3.4579   175.177      3.78847  13.0578  0.132407  13.2327  0.143148  
1 1 1 36 6  2  o 8.38891  0.0683691 70.3804      1.14708  69.4814      1.62552  71.2721      1.61894  8.33475  0.0975147 8.44149  0.0958919 
1 1 1 36 6  3  o 11.377   0.0865816 129.457      1.97008  128.406      2.80688  130.477      2.76581  11.3299  0.123871  11.421   0.121085  
1 1 1 36 6  4  o 5.39519  0.0631678 29.1105      0.681605 29.404       0.993566 28.8496      0.936806 5.42207  0.0916224 5.37076  0.0872135 
1 1 1 36 6  5  o 18.3329  0.131773  336.218      4.83156  333.98       6.711    338.627      6.96161  18.2686  0.183675  18.3949  0.189227  
1 1 1 36 6  6  o 14.9467  0.110896  223.462      3.31507  220.025      4.52164  227.458      4.87467  14.8295  0.152454  15.0775  0.161654  
1 1 1 36 6  7  o 13.8011  0.101353  190.514      2.79758  190.042      3.86285  191.034      4.05704  13.7826  0.140135  13.8182  0.1468    
1 1 1 36 6  8  o 16.5003  0.124223  272.353      4.09941  272.814      5.95518  271.938      5.65161  16.511   0.18034   16.4851  0.171416  
1 1 1 36 6  9  o 4.03358  0.0766655 16.2721      0.618473 15.6486      0.861908 16.9338      0.88798  3.95527  0.108957  4.11449  0.107909  
1 1 1 36 6  10 o 10.7739  0.0872685 116.099      1.88044  110.253      2.60743  122.436      2.7145   10.4981  0.124186  11.0629  0.122685  
1 1 1 36 6  11 o 5.68225  0.0735464 32.2928      0.835818 30.5127      1.20135  33.9627      1.1636   5.52293  0.10876   5.82695  0.0998467 
1 1 1 36 6  12 o 8.13086  0.0837181 66.1248      1.3614   67.4545      2.10188  65.1638      1.78687  8.21105  0.127991  8.07093  0.110698  
1 1 1 36 6  13 o 11.5738  0.0997276 133.996      2.30844  134.076      3.30201  133.919      3.22849  11.5752  0.142633  11.5686  0.139537  
1 1 1 36 6  14 o 12.4286  0.101006  154.532      2.51072  152.451      3.67218  156.359      3.44052  12.3417  0.148771  12.4997  0.137624  
1 1 1 36 6  15 o 4.82376  0.082857  23.276       0.799365 22.5944      1.08732  24.0777      1.17921  4.75191  0.114409  4.90526  0.120198  
1 1 1 36 6  16 o 2.61687  0.133412  6.85445      0.698247 6.41414      0.981249 7.30611      0.993813 2.53012  0.193913  2.70059  0.183999  
1 1 1 36 6  17 o 8.7228   0.0831472 76.1188      1.45055  78.0314      2.04226  74.1715      2.06065  8.82999  0.115643  8.60859  0.119686  
1 1 1 36 6  18 o 9.26633  0.0874714 85.9104      1.62108  85.6572      2.24682  86.1852      2.34119  9.25035  0.121445  9.27843  0.126163  
1 1 1 36 6  19 f 11.3871  0.111805  129.8        2.54627  132.938      3.65091  126.827      3.55303  11.5178  0.158489  11.2501  0.157911  
1 1 1 36 6  20 o 4.54243  0.0892318 20.6507      0.810659 21.1925      1.11862  20.0515      1.17646  4.60004  0.121588  4.47392  0.131479  
1 1 1 36 6  21 o 2.35962  0.147194  5.58175      0.694643 5.85385      0.94545  5.26256      1.02399  2.4141   0.195818  2.28738  0.223835  
1 1 1 36 6  22 o 4.49952  0.091962  20.2692      0.827569 20.6295      1.18186  19.9225      1.15918  4.53668  0.130256  4.45829  0.130003  
1 1 1 36 6  23 o 3.51803  0.107764  12.3989      0.758233 11.5624      1.04568  13.3264      1.10107  3.39403  0.154047  3.64399  0.151081  
1 1 1 36 6  24 o 5.77741  0.0840703 33.4216      0.971417 33.5945      1.36307  33.2432      1.38477  5.78871  0.117735  5.75806  0.120246  
1 1 1 36 6  25 o 6.36918  0.0849107 40.6269      1.08162  40.8084      1.51445  40.438       1.5453   6.37891  0.118708  6.34943  0.121688  
1 1 1 36 6  26 o 3.60194  0.113812  13.0141      0.81989  12.4418      1.15008  13.6055      1.16915  3.51609  0.163546  3.67749  0.15896   
1 1 1 36 6  27 o 2.82756  0.148606  8.04521      0.840384 8.4185       1.21903  7.70714      1.16012  2.88338  0.21139   2.75906  0.210238  
1 1 1 36 6  28 o 2.7442   0.151316  7.58601      0.830482 7.08765      1.21959  8.0169       1.13403  2.63944  0.231031  2.81288  0.201579  
1 1 1 36 6  29 o 1.6981   0.256435  2.95164      0.870907 4.0943       1.29894  2.0185       1.17383  1.98535  0.327132  1.36651  0.402605  
1 1 1 36 6  30 o 0.755222 0.318247  0.111194     0.821348 0.767969     1.12007  -0.652785    1.20803  1.00918  0.38998   0.774781 0.352783  
1 1 1 36 6  31 o 1.76796  0.239187  3.21446      0.845745 2.7133       1.15916  3.78492      1.23673  1.56474  0.374779  1.86657  0.344202  
1 1 1 36 6  32 o 2.58974  0.167413  6.81265      0.867114 7.1502       1.24134  6.491        1.21176  2.6329   0.235737  2.50664  0.241711  
1 1 1 36 6  33 o 3.37371  0.137906  11.5165      0.930514 9.93711      1.29726  13.1904      1.33547  3.11009  0.208556  3.59307  0.185839  
1 1 1 36 6  34 o 0.657216 0.298761  -0.405138    0.858611 -1.18893     1.18921  0.448339     1.24096  0.68549  0.324317  0.946787 0.394636  
1 1 1 36 6  35 o 1.38914  0.327129  2.16715      0.894885 1.87478      1.25925  2.46546      1.27197  1.28143  0.423055  1.4485   0.416656  
1 1 1 36 6  36 o 0.968449 0.360723  0.913959     0.93483  1.12724      1.30876  0.691787     1.33576  1.08372  0.420977  0.999563 0.412573  
1 1 1 36 6  37 o 2.01195  0.231839  4.31256      0.932898 3.45621      1.32485  5.15475      1.31385  1.67667  0.400088  2.15238  0.305209  
1 1 1 36 6  38 f 1.40512  0.343503  2.38213      0.958548 2.82943      1.33859  1.91135      1.37326  1.46779  0.429131  1.22177  0.439473  
1 1 1 36 6  39 o 0.669833 0.308588  -0.351353    0.960849 -0.868171    1.34794  0.182538     1.37002  0.724242 0.343892  0.855894 0.384257  
1 1 1 36 6  40 f 1.35354  0.365316  2.4703       1.01197  2.95684      1.49917  2.06305      1.37159  1.35724  0.461602  1.16602  0.436416  
1 1 1 36 6  41 o 0.712179 0.329341  -0.09298     1.10797  0.298225     1.56661  -0.484478    1.5672   0.840379 0.389769  0.762552 0.364809  
1 1 1 36 6  42 o 0.948189 0.38895   1.6041       1.17983  2.69353      1.61674  0.362945     1.72565  1.08123  0.450543  0.795005 0.380928  
1 1 1 36 6  43 o 0.636232 0.306023  -0.26086     1.14072  -1.2843      1.54881  0.952511     1.68641  0.626465 0.311865  0.797876 0.380922  
1 1 1 36 7  0  o 16.3655  0.177507  268.012      5.80846  268.012      5.80846  268.012      5.80846  16.3683  0.125479  ?        ?         
1 1 1 36 7  1  o 15.4785  0.109729  239.643      3.39687  236.664      4.80486  242.62       4.80294  15.38    0.156204  15.5724  0.154213  
1 1 1 36 7  2  o 9.32198  0.0726635 86.9088      1.35473  86.4166      1.9101   87.407       1.92172  9.29503  0.102748  9.34814  0.102786  
1 1 1 36 7  3  o 15.594   0.109292  243.232      3.40858  244.663      4.85245  241.839      4.78908  15.6378  0.155152  15.5473  0.154017  
1 1 1 36 7  4  o 18.4549  0.130674  340.707      4.82316  338.83       6.78708  342.622      6.85539  18.4007  0.184424  18.5033  0.185248  
1 1 1 36 7  5  f 4.56236  0.0669113 20.8171      0.610546 21.2521      0.84342  20.3383      0.884964 4.60958  0.0914855 4.50933  0.0981259 
1 1 1 36 7  6  o 6.92035  0.066464  47.8959      0.919909 46.5496      1.29111  49.2841      1.31102  6.82206  0.0946274 7.01959  0.0933828 
1 1 1 36 7  7  o 13.419   0.103468  180.114      2.77687  179.194      3.91114  181.048      3.94323  13.3831  0.146122  13.4521  0.146565  
1 1 1 36 7  8  o 8.97225  0.0869039 80.5157      1.55945  84.227       2.32463  77.4788      2.1028   9.17577  0.126672  8.80071  0.119468  
1 1 1 36 7  9  o 9.02152  0.0865878 81.4031      1.56231  81.9044      2.24475  80.9322      2.17574  9.04834  0.124042  8.99457  0.120947  
1 1 1 36 7  10 o 5.62794  0.0724668 31.6782      0.815678 31.6604      1.22668  31.6922      1.0921   5.62585  0.109022  5.62887  0.0970088 
1 1 1 36 7  11 o 16.2239  0.12236   263.331      3.97032  259.251      5.62587  267.379      5.60396  16.0941  0.174781  16.3447  0.17143   
1 1 1 36 7  12 o 6.77341  0.0837655 45.8892      1.13476  46.0619      1.61621  45.7214      1.59361  6.78537  0.119095  6.76027  0.117866  
1 1 1 36 7  13 o 11.1797  0.0923102 125.025      2.06401  124.465      2.93819  125.57       2.90007  11.1529  0.131724  11.2024  0.12944   
1 1 1 36 7  14 o 4.18281  0.0892503 17.5019      0.746634 18.4774      1.08807  16.6338      1.02643  4.29704  0.126607  4.07705  0.125879  
1 1 1 36 7  15 o 10.7706  0.0938124 116.056      2.02083  113.953      2.82129  118.271      2.89595  10.6703  0.132203  10.8705  0.133202  
1 1 1 36 7  16 o 1.4481   0.232662  2.10333      0.673835 1.02669      0.91906  3.35482      0.99088  1.05578  0.361421  1.82788  0.271046  
1 1 1 36 7  17 o 7.59104  0.080512  57.6475      1.22234  58.102       1.65238  57.0983      1.81655  7.61959  0.10843   7.55284  0.120256  
1 1 1 36 7  18 o 2.24706  0.14748   5.05742      0.662795 5.12301      0.937384 4.99185      0.937284 2.25977  0.207407  2.23056  0.210101  
1 1 1 36 7  19 o 7.24812  0.0862894 52.5706      1.25087  51.192       1.71032  54.1561      1.83417  7.15023  0.119599  7.35391  0.124707  
1 1 1 36 7  20 o 5.56237  0.0808814 30.9618      0.899785 30.4891      1.21793  31.5298      1.33511  5.51809  0.110358  5.61088  0.118975  
1 1 1 36 7  21 o 3.34915  0.108665  11.2331      0.727872 11.1035      0.995102 11.3822      1.06743  3.32761  0.149522  3.36854  0.158442  
1 1 1 36 7  22 o 6.43704  0.0833231 41.4766      1.07271  41.195       1.52475  41.7526      1.50944  6.41183  0.118901  6.4553   0.116915  
1 1 1 36 7  23 o 4.19305  0.0960541 17.6083      0.805519 17.3723      1.11599  17.865       1.16387  4.16182  0.134075  4.22006  0.137898  
1 1 1 36 7  24 o 0.526106 0.246851  -0.689134    0.662096 -1.31794     0.927365 -0.0353671   0.94559  0.578554 0.277706  0.78324  0.336156  
1 1 1 36 7  25 o 4.63189  0.0961419 21.4967      0.890638 21.7663      1.25671  21.2247      1.26242  4.65648  0.134942  4.59786  0.137283  
1 1 1 36 7  26 o 1.70257  0.216659  2.93306      0.737754 3.67922      1.0131   2.09066      1.07646  1.90125  0.266432  1.39713  0.37664   
1 1 1 36 7  27 o 3.32004  0.126151  11.0741      0.837654 10.2946      1.19646  11.8235      1.17312  3.19222  0.187403  3.42392  0.171313  
1 1 1 36 7  28 f 2.51895  0.165807  6.40373      0.835321 7.25545      1.27384  5.76118      1.10642  2.66789  0.238736  2.37849  0.232589  
1 1 1 36 7  29 o 1.86824  0.234591  3.55892      0.876545 1.64043      1.30615  5.1309       1.18232  1.2702   0.430861  2.23713  0.264251  
1 1 1 36 7  30 o 2.28932  0.187473  5.31481      0.858369 5.81007      1.16235  4.72075      1.27302  2.38191  0.243994  2.1347   0.298174  
1 1 1 36 7  31 o 1.34163  0.311743  1.95735      0.821275 0.590893     1.11992  3.54719      1.20799  0.960864 0.384672  1.80403  0.347194  
1 1 1 36 7  32 o 1.03872  0.34795   1.1138       0.851827 2.22293      1.27435  0.217939     1.14529  1.40414  0.42084   0.885246 0.374552  
1 1 1 36 7  33 o 1.96467  0.220192  3.9802       0.865211 4.66896      1.22357  3.2914       1.22361  2.10396  0.290779  1.71279  0.36779   
1 1 1 36 7  34 o 1.69477  0.259122  3.017        0.878305 2.57105      1.22564  3.48775      1.25926  1.48843  0.402181  1.75259  0.370668  
1 1 1 36 7  35 f 3.09815  0.155677  9.79503      0.964622 11.314       1.36293  8.2705       1.36543  3.30496  0.206196  2.80674  0.243241  
1 1 1 36 7  36 o 0.796722 0.341399  0.173097     0.972617 -1.00838     1.3431   1.47583      1.41034  0.746397 0.35046   1.16835  0.441357  
1 1 1 36 7  37 o 3.22073  0.156751  10.6886      1.00971  10.9434      1.39183  10.4054      1.46702  3.2163   0.216371  3.12091  0.235031  
1 1 1 36 7  38 o 0.982585 0.359457  1.0877       0.922117 1.61857      1.32427  0.588013     1.28477  1.14409  0.428699  0.926473 0.394535  
1 1 1 36 7  39 o 1.2874   0.366792  2.15575      0.990344 2.21183      1.38619  2.09729      1.41538  1.24381  0.442119  1.2144   0.445234  
1 1 1 36 7  40 o 1.36529  0.365069  2.54348      1.01647  2.81218      1.40923  2.25209      1.46756  1.32674  0.44754   1.18362  0.449312  
1 1 1 36 7  41 o 0.79608  0.358427  0.40284      1.2003   1.17466      1.603    -0.582165    1.8109   0.944789 0.420112  0.787724 0.38049   
1 1 1 36 7  42 o 0.759219 0.345139  0.577075     1.14603  1.48386      1.55811  -0.491719    1.69158  0.893895 0.405093  0.718028 0.351362  
1 1 1 36 7  43 o 0.666747 0.318006  0.18288      1.16798  1.86398      1.63857  -1.55354     1.66531  0.847059 0.395076  0.608038 0.305955  
1 1 1 36 8  0  o 4.35973  0.0951351 19.0362      0.828636 19.0362      0.828636 19.0362      0.828636 4.36139  0.0672088 ?        ?         
1 1 1 36 8  1  o 17.1192  0.121719  293.158      4.16745  291.715      5.87371  294.621      5.91382  17.0743  0.172004  17.1591  0.172323  
1 1 1 36 8  2  o 3.52407  0.0728107 12.4204      0.513179 11.9745      0.747805 12.8174      0.705529 3.45998  0.108065  3.57977  0.0985439 
1 1 1 36 8  3  o 8.62282  0.0792844 74.3631      1.36731  72.0475      1.99015  76.4333      1.88174  8.48682  0.11725   8.74153  0.107632  
1 1 1 36 8  4  o 10.0653  0.0818875 101.325      1.64845  100.86       2.35203  101.774      2.31102  10.0414  0.117116  10.0869  0.114556  
1 1 1 36 8  5  o 8.21211  0.0756552 67.4473      1.24258  68.8134      1.92976  66.4797      1.62406  8.29414  0.116333  8.15261  0.0996037 
1 1 1 36 8  6  o 7.83525  0.072674  61.3985      1.13884  60.0139      1.59748  62.8295      1.62396  7.74592  0.103118  7.92555  0.102451  
1 1 1 36 8  7  o 8.18438  0.0741898 66.9928      1.21439  65.9126      1.72666  68.0502      1.70832  8.11756  0.106353  8.2482   0.103557  
1 1 1 36 8  8  o 9.39173  0.0811076 88.2192      1.52348  87.9841      2.18947  88.4398      2.12121  9.37837  0.11673   9.40273  0.112797  
1 1 1 36 8  9  o 9.35509  0.0878203 87.5356      1.64313  87.0093      2.37414  88.0194      2.27643  9.32585  0.127288  9.38001  0.121345  
1 1 1 36 8  10 o 3.87375  0.0889282 15.0093      0.688971 14.3348      1.04373  15.5302      0.917194 3.7851   0.137873  3.94007  0.116393  
1 1 1 36 8  11 o 5.86373  0.0767554 34.3895      0.900146 33.4212      1.25853  35.4036      1.28798  5.78005  0.108868  5.94902  0.108251  
1 1 1 36 8  12 o 6.60119  0.0913545 43.5882      1.2061   41.605       1.76921  45.31        1.64854  6.44811  0.137188  6.72954  0.122485  
1 1 1 36 8  13 o 17.4735  0.131653  305.536      4.60088  296.743      6.4396   314.705      6.57578  17.2141  0.187044  17.7276  0.185467  
1 1 1 36 8  14 o 1.43323  0.22474   2.05896      0.644209 1.77059      0.905518 2.3545       0.916684 1.30346  0.342771  1.50269  0.315102  
1 1 1 36 8  15 o 5.05642  0.0839907 25.5769      0.849385 25.5882      1.20921  25.566       1.19337  5.05658  0.119568  5.05444  0.118052  
1 1 1 36 8  16 o 6.71097  0.0786614 45.0537      1.05579  44.4129      1.45408  45.7682      1.53546  6.66194  0.109134  6.76263  0.113526  
1 1 1 36 8  17 o 7.17373  0.0808388 51.4852      1.15983  50.6637      1.5959   52.4049      1.68851  7.11477  0.112154  7.23574  0.116679  
1 1 1 36 8  18 o 7.84589  0.079997  61.5894      1.2553   62.6802      1.78514  60.5225      1.76553  7.91302  0.112798  7.77558  0.11353   
1 1 1 36 8  19 o 8.54026  0.0831582 72.9863      1.42039  75.1285      1.9977   70.7961      2.01994  8.66197  0.115314  8.40803  0.12012   
1 1 1 36 8  20 o 5.39682  0.0810757 29.1471      0.875102 30.8539      1.22182  27.3493      1.25397  5.55085  0.110057  5.22543  0.119987  
1 1 1 36 8  21 o 5.78271  0.0804673 33.4682      0.930638 34.8352      1.2965   32.0151      1.33666  5.89746  0.10992   5.653    0.118226  
1 1 1 36 8  22 o 6.87745  0.0815907 47.3462      1.12227  49.1674      1.59105  45.5427      1.58324  7.00517  0.113563  6.74155  0.117424  
1 1 1 36 8  23 o 1.37154  0.251423  1.96063      0.663956 1.9333       0.93717  1.98816      0.940793 1.35067  0.345513  1.36935  0.343745  
1 1 1 36 8  24 o 4.14068  0.0977389 17.1779      0.809411 17.6916      1.13178  16.6401      1.15803  4.19856  0.134782  4.07104  0.142228  
1 1 1 36 8  25 o 1.59411  0.225525  2.57012      0.719023 1.76442      0.99747  3.44163      1.03741  1.29176  0.368134  1.83893  0.282068  
1 1 1 36 8  26 o 2.3342   0.160658  5.4861       0.750015 5.70203      1.03785  5.25007      1.08509  2.37288  0.21869   2.27419  0.238566  
1 1 1 36 8  27 o 1.24963  0.307376  1.6688       0.76393  2.53465      1.15475  0.994939     1.01871  1.52959  0.378937  1.05152  0.378486  
1 1 1 36 8  28 o 1.81255  0.225998  3.34465      0.819266 2.85738      1.1904   3.78315      1.12925  1.62041  0.374532  1.91565  0.294743  
1 1 1 36 8  29 o 1.99887  0.209254  4.06063      0.836542 2.78959      1.23049  5.15293      1.1407   1.59523  0.388704  2.24299  0.254281  
1 1 1 36 8  30 o 2.48872  0.17801   6.27525      0.886036 6.03069      1.20708  6.56098      1.3047   2.42443  0.24894   2.52635  0.258218  
1 1 1 36 8  31 o 0.622523 0.283992  -0.468858    0.79094  -0.745219    1.09379  -0.16597     1.14509  0.712317 0.328572  0.820362 0.361007  
1 1 1 36 8  32 o 0.797993 0.325279  0.32336      0.819978 0.966009     1.20258  -0.235029    1.12097  1.06056  0.40552   0.795737 0.352853  
1 1 1 36 8  33 o 0.986859 0.348144  0.966475     0.858074 0.97998      1.21961  0.953238     1.20749  1.06016  0.407506  1.05156  0.405211  
1 1 1 36 8  34 o 1.62505  0.269656  2.78627      0.876412 4.35883      1.24011  1.21712      1.23876  2.01673  0.307454  1.11284  0.415095  
1 1 1 36 8  35 o 1.69109  0.266974  3.03836      0.902954 4.6884       1.30544  1.5248       1.25028  2.07749  0.314188  1.17962  0.419828  
1 1 1 36 8  36 o 0.881634 0.348732  0.63807      0.909415 0.255347     1.24392  1.0775       1.3329   0.888044 0.383428  1.06526  0.42193   
1 1 1 36 8  37 o 0.962958 0.356239  0.974892     0.908642 0.448006     1.24473  1.57596      1.32948  0.909389 0.387832  1.15801  0.430406  
1 1 1 36 8  38 o 0.709492 0.317893  -0.100747    0.93353  -0.232336    1.31542  0.0327752    1.32505  0.802507 0.366138  0.840755 0.377668  
1 1 1 36 8  39 o 0.919292 0.358104  0.937622     0.948393 -0.692743    1.3134   2.71388      1.37091  0.729768 0.343725  1.36948  0.441087  
1 1 1 36 8  40 o 2.31365  0.232906  6.08374      1.07772  5.78567      1.47215  6.42797      1.58204  2.10416  0.34982   2.20441  0.358836  
1 1 1 36 8  41 o 1.36218  0.412051  2.97078      1.2179   3.35973      1.73565  2.5935       1.7094   1.28247  0.488106  1.14554  0.468747  
1 1 1 36 8  42 o 0.60655  0.296507  -0.860912    1.19656  -1.46188     1.64751  -0.190013    1.74072  0.648638 0.322729  0.739079 0.360544  
1 1 1 36 8  43 o 0.96602  0.397416  2.28564      1.23531  3.63862      1.78251  1.03535      1.71353  1.00906  0.446516  0.754565 0.365444  
1 1 1 36 9  0  o 4.71572  0.0976624 22.2689      0.920205 22.2689      0.920205 22.2689      0.920205 4.71736  0.0690002 ?        ?         
1 1 1 36 9  1  o 2.58322  0.0967949 6.67439      0.500085 7.30027      0.710901 6.06128      0.703609 2.70139  0.131581  2.46142  0.142928  
1 1 1 36 9  2  o 10.2701  0.0796941 105.49       1.63694  103.911      2.2134   107.397      2.43196  10.1923  0.108582  10.3617  0.117353  
1 1 1 36 9  3  o 9.40479  0.0772045 88.4616      1.45218  87.3127      2.04112  89.6392      2.06651  9.34289  0.109234  9.46655  0.109148  
1 1 1 36 9  4  o 22.5839  0.170151  510.362      7.68533  514.587      10.9592  506.273      10.7804  22.6696  0.241717  22.4859  0.239714  
1 1 1 36 9  5  o 16.0542  0.121078  257.826      3.88762  252.018      5.40507  264.051      5.59575  15.8697  0.170295  16.244   0.17224   
1 1 1 36 9  6  o 19.8857  0.151181  395.658      6.01269  396.389      8.75931  395.007      8.26836  19.8979  0.220107  19.8644  0.20812   
1 1 1 36 9  7  o 6.28535  0.0731156 39.511       0.919115 40.1609      1.35909  38.9633      1.24769  6.33634  0.107245  6.24127  0.0999552 
1 1 1 36 9  8  o 7.77325  0.0742252 60.4323      1.15394  58.815       1.65751  61.9534      1.60748  7.6679   0.108081  7.86995  0.102128  
1 1 1 36 9  9  o 14.9267  0.112197  222.884      3.34947  220.539      4.82414  225.067      4.65416  14.845   0.162484  14.9971  0.155168  
1 1 1 36 9  10 o 16.7868  0.122941  281.926      4.12756  279.214      5.88161  284.557      5.7939   16.7019  0.176076  16.8613  0.171811  
1 1 1 36 9  11 o 2.80284  0.114588  7.85929      0.642345 7.40318      0.915686 8.3012       0.901311 2.71961  0.168349  2.88002  0.156477  
1 1 1 36 9  12 o 18.1728  0.135541  330.482      4.92633  327.722      6.82878  333.476      7.11372  18.0908  0.188736  18.2481  0.194916  
1 1 1 36 9  13 o 4.75217  0.0847689 22.5903      0.805672 22.0412      1.14739  23.1243      1.13156  4.69324  0.122238  4.80728  0.117692  
1 1 1 36 9  14 o 5.65159  0.0793531 31.9504      0.896942 32.6726      1.35906  31.3931      1.19387  5.71399  0.118924  5.60138  0.106569  
1 1 1 36 9  15 o 12.7478  0.10373   162.605      2.64466  161.426      3.72833  163.799      3.75202  12.6977  0.146811  12.7907  0.14667   
1 1 1 36 9  16 o 7.5879   0.080539  57.5999      1.22224  58.2479      1.74326  56.9734      1.71413  7.62885  0.114255  7.54496  0.113595  
1 1 1 36 9  17 o 10.7774  0.091206  116.222      1.96592  118.881      2.85393  113.822      2.71197  10.8964  0.130958  10.6624  0.127175  
1 1 1 36 9  18 o 1.80668  0.174633  3.27282      0.631012 3.90115      0.854289 2.51842      0.93608  1.97106  0.216707  1.55318  0.312325  
1 1 1 36 9  19 o 7.50122  0.0813033 56.3076      1.21975  58.1534      1.71835  54.433       1.73169  7.62075  0.112742  7.37253  0.117442  
1 1 1 36 9  20 o 1.62861  0.199829  2.6649       0.650886 3.34894      0.882128 1.84743      0.96434  1.82368  0.241854  1.32643  0.355995  
1 1 1 36 9  21 o 1.25482  0.261463  1.64843      0.634588 1.93085      0.874276 1.33396      0.922555 1.35278  0.326413  1.14917  0.360881  
1 1 1 36 9  22 o 7.30727  0.0807438 53.4508      1.18003  54.2629      1.64891  52.5983      1.68947  7.35902  0.112033  7.24467  0.116601  
1 1 1 36 9  23 o 1.19382  0.275045  1.50144      0.643633 1.19429      0.877746 1.8587       0.946619 1.09363  0.353014  1.32478  0.351425  
1 1 1 36 9  24 o 1.01967  0.30706   1.07034      0.677347 0.94699      0.956468 1.19444      0.959364 1.03033  0.367149  1.1056   0.369261  
1 1 1 36 9  25 o 4.03716  0.102673  16.3392      0.829015 16.2057      1.1576   16.4797      1.18779  4.01582  0.14413   4.04928  0.146667  
1 1 1 36 9  26 o 0.813379 0.314418  0.454156     0.728198 -0.46779     0.990838 1.53698      1.07381  0.720127 0.324864  1.22131  0.390078  
1 1 1 36 9  27 o 0.628296 0.284166  -0.386654    0.76298  -0.459624    1.14785  -0.328893    1.02125  0.783619 0.351768  0.754336 0.335377  
1 1 1 36 9  28 f 0.979628 0.336616  0.926394     0.797682 1.3222       1.18443  0.597855     1.0791   1.16741  0.409304  0.960355 0.379874  
1 1 1 36 9  29 o 2.65553  0.159064  7.12154      0.844799 6.8329       1.19403  7.41084      1.19542  2.5872   0.230758  2.69652  0.22166   
1 1 1 36 9  30 o 2.885    0.154917  8.41464      0.893872 9.43815      1.25273  7.35301      1.27584  3.04278  0.205853  2.67707  0.23829   
1 1 1 36 9  31 o 0.689047 0.302529  -0.131441    0.800411 -0.542654    1.09135  0.347214     1.17745  0.739068 0.336198  0.923568 0.384646  
1 1 1 36 9  32 o 1.3893   0.306922  2.11134      0.830023 0.778975     1.17994  3.41647      1.16781  1.0108   0.398048  1.76154  0.343739  
1 1 1 36 9  33 o 1.72044  0.247115  3.08636      0.850293 0.711529     1.19897  5.48935      1.20606  0.993304 0.397868  2.28805  0.263555  
1 1 1 36 9  34 o 3.34495  0.142984  11.3636      0.956551 10.7526      1.34414  11.9907      1.36156  3.22593  0.208334  3.41111  0.199578  
1 1 1 36 9  35 o 2.02882  0.229948  4.30819      0.933045 3.5432       1.28557  5.1597       1.35632  1.74838  0.378342  2.18014  0.311062  
1 1 1 36 9  36 o 1.65861  0.275702  2.98904      0.914562 4.07666      1.30062  1.92526      1.28628  1.864    0.361789  1.25749  0.427571  
1 1 1 36 9  37 o 1.54334  0.312767  2.75364      0.931734 3.47219      1.27114  1.91931      1.36972  1.68109  0.385999  1.23585  0.439465  
1 1 1 36 9  38 o 1.6489   0.299455  3.17927      0.951122 2.94378      1.32941  3.42621      1.36133  1.47136  0.426851  1.59978  0.420087  
1 1 1 36 9  39 o 1.19166  0.366089  1.86445      0.956393 2.00507      1.30942  1.70365      1.40023  1.1895   0.42901   1.1159   0.435036  
1 1 1 36 9  40 o 1.52747  0.367475  3.24321      1.11061  4.94519      1.67016  1.894        1.48703  1.7357   0.4697    1.08081  0.438884  
1 1 1 36 9  41 o 0.819772 0.365949  0.718936     1.22699  1.58152      1.82477  0.00707298   1.6577   0.956162 0.434893  0.787693 0.376443  
1 1 1 36 9  42 o 1.16902  0.422971  2.72194      1.27371  1.04958      1.66871  5.05628      1.9715   0.844704 0.395537  1.35593  0.519002  
1 1 1 36 10 0  o 9.54636  0.112418  91.1837      2.14569  91.1837      2.14569  91.1837      2.14569  9.54768  0.0794679 ?        ?         
1 1 1 36 10 1  o 8.01432  0.0711186 64.2367      1.13993  63.5026      1.61799  64.9602      1.60629  7.96792  0.101532  8.05888  0.0996599 
1 1 1 36 10 2  o 25.5384  0.180129  652.689      9.20038  648.525      12.7942  657.149      13.2399  25.4477  0.251382  25.6153  0.258437  
1 1 1 36 10 3  o 8.0103   0.0716723 64.1725      1.14823  65.6026      1.66003  62.8606      1.58993  8.09855  0.10249   7.92754  0.100279  
1 1 1 36 10 4  o 20.1115  0.154475  404.7        6.21346  401.642      8.61295  408.019      8.97237  20.0299  0.215002  20.1875  0.222225  
1 1 1 36 10 5  o 7.3525   0.0753499 54.0668      1.10802  52.9223      1.65936  54.9877      1.48849  7.2736   0.114067  7.41445  0.100377  
1 1 1 36 10 6  o 6.76792  0.069046  45.8104      0.934596 47.2428      1.3582   44.5221      1.28803  6.87248  0.0988144 6.67169  0.0965293 
1 1 1 36 10 7  o 3.02775  0.0972788 9.16957      0.589071 9.99904      0.919612 8.59239      0.767116 3.16122  0.145452  2.9306   0.13088   
1 1 1 36 10 8  o 14.4495  0.104782  208.854      3.02811  206.252      4.28175  211.457      4.28303  14.357   0.149117  14.5371  0.147314  
1 1 1 36 10 9  o 13.0223  0.104543  169.637      2.72278  169.161      4.01621  170.042      3.7039   13.0015  0.154451  13.036   0.142064  
1 1 1 36 10 10 o 3.98287  0.0860286 15.8671      0.685282 16.9686      1.04428  15.0339      0.908183 4.11822  0.126787  3.87651  0.117139  
1 1 1 36 10 11 o 13.1528  0.102445  173.061      2.69486  171.579      3.70235  174.731      3.93004  13.094   0.141375  13.2132  0.148716  
1 1 1 36 10 12 o 9.36541  0.0862331 87.7385      1.61522  87.7169      2.32457  87.7587      2.24599  9.36265  0.12414   9.36508  0.119913  
1 1 1 36 10 13 f 4.78766  0.0817834 22.929       0.783102 22.6275      1.08996  23.2507      1.12586  4.75534  0.114604  4.82033  0.116782  
1 1 1 36 10 14 o 12.0398  0.100557  145.036      2.42138  147.578      3.59343  142.921      3.27709  12.1411  0.147986  11.949   0.137128  
1 1 1 36 10 15 o 9.1755   0.0816932 84.2235      1.49915  85.2939      2.17766  83.2591      2.06691  9.23161  0.117946  9.12112  0.113304  
1 1 1 36 10 16 o 6.4448   0.0801002 41.5535      1.03246  42.6979      1.42267  40.2801      1.50069  6.5317   0.108905  6.34361  0.118283  
1 1 1 36 10 17 o 6.7829   0.0775769 46.0296      1.05239  46.0706      1.49224  45.9891      1.4844   6.78426  0.109979  6.77828  0.109497  
1 1 1 36 10 18 o 9.24501  0.0831512 85.5277      1.53747  84.3681      2.12035  86.8134      2.23261  9.17928  0.115496  9.31089  0.119892  
1 1 1 36 10 19 o 3.43418  0.106896  11.8085      0.7342   13.2287      0.983834 10.0235      1.10298  3.63345  0.135386  3.16067  0.174486  
1 1 1 36 10 20 o 4.99667  0.0865065 24.9905      0.86449  24.7882      1.19032  25.2163      1.2576   4.97425  0.119648  5.01657  0.125345  
1 1 1 36 10 21 o 4.17335  0.0919426 17.4382      0.767417 17.6219      1.06313  17.2383      1.1089   4.19292  0.126776  4.1465   0.133716  
1 1 1 36 10 22 o 6.88248  0.0799045 47.419       1.09988  47.9165      1.52975  46.8865      1.58254  6.91507  0.11061   6.83969  0.115688  
1 1 1 36 10 23 o 5.00853  0.0862502 25.1214      0.863974 24.2452      1.19231  26.0901      1.25368  4.91698  0.121244  5.10043  0.1229    
1 1 1 36 10 24 o 3.48836  0.110044  12.2001      0.767745 10.976       1.05956  13.5532      1.114    3.30403  0.160344  3.67254  0.151666  
1 1 1 36 10 25 o 3.25508  0.117365  10.6321      0.764064 11.4653      1.05179  9.70104      1.1118   3.37584  0.155782  3.10225  0.179193  
1 1 1 36 10 26 f 0.757739 0.305759  0.278078     0.715528 0.178347     0.995231 0.384786     1.02945  0.842602 0.352451  0.899847 0.365247  
1 1 1 36 10 27 o 3.60755  0.123152  13.0795      0.888558 12.0321      1.31459  13.9605      1.20568  3.44787  0.190638  3.72011  0.162049  
1 1 1 36 10 28 o 1.4885   0.277454  2.3447       0.795215 2.16096      1.17501  2.49997      1.08017  1.40902  0.398918  1.51692  0.360809  
1 1 1 36 10 29 o 1.94494  0.210952  3.84982      0.820579 3.89635      1.15966  3.80315      1.16129  1.93955  0.29895   1.91528  0.303166  
1 1 1 36 10 30 o 3.04973  0.149259  9.40396      0.910396 8.3186       1.25984  10.5901      1.31706  2.85     0.221024  3.22115  0.204439  
1 1 1 36 10 31 o 1.59203  0.255733  2.62826      0.814267 4.09011      1.12967  1.0474       1.17475  1.97709  0.285689  1.07702  0.403732  
1 1 1 36 10 32 o 1.85114  0.228668  3.53796      0.846596 3.2811       1.20398  3.78917      1.19067  1.71463  0.362293  1.86013  0.332002  
1 1 1 36 10 33 f 2.10501  0.20625   4.57046      0.868319 5.2775       1.22975  3.86745      1.22623  2.23586  0.275006  1.86529  0.341408  
1 1 1 36 10 34 o 2.81343  0.166178  8.08585      0.935061 7.59902      1.3113   8.58948      1.33374  2.69508  0.243276  2.87094  0.232283  
1 1 1 36 10 35 f 1.16936  0.356856  1.56193      0.910801 1.45077      1.24846  1.68841      1.3317   1.15576  0.418701  1.22162  0.433431  
1 1 1 36 10 36 o 2.02255  0.225885  4.33883      0.913727 5.27883      1.27294  3.33969      1.31237  2.19051  0.290558  1.6489   0.401208  
1 1 1 36 10 37 o 1.50266  0.316738  2.63741      0.922127 2.2645       1.28817  3.02934      1.32061  1.3226   0.427727  1.53389  0.41882   
1 1 1 36 10 38 o 1.62754  0.301097  3.1277       0.943204 2.84167      1.29773  3.44799      1.37326  1.43711  0.423291  1.58855  0.424131  
1 1 1 36 10 39 o 0.595326 0.283748  -0.756934    0.925806 -1.72627     1.28255  0.297675     1.33777  0.619818 0.304001  0.848393 0.380327  
1 1 1 36 10 40 o 0.702987 0.325494  -0.138194    1.08658  0.72525      1.54496  -0.983316    1.52848  0.891984 0.403847  0.714724 0.345975  
1 1 1 36 10 41 f 1.05414  0.411322  2.08653      1.25231  1.85454      1.93446  2.2539       1.64306  0.955996 0.439359  1.02728  0.442072  
1 1 1 36 10 42 o 0.729737 0.340001  0.348807     1.20957  1.50518      1.64579  -1.00948     1.7837   0.884373 0.405943  0.690702 0.342485  
1 1 1 36 11 0  f 21.9126  0.217225  480.572      9.51779  480.572      9.51779  480.572      9.51779  21.9172  0.153551  ?        ?         
1 1 1 36 11 1  o 7.82513  0.0710406 61.24        1.1118   61.2533      1.59167  61.2274      1.55367  7.82547  0.101698  7.82386  0.0992905 
1 1 1 36 11 2  o 12.2867  0.0960943 150.998      2.36137  150.84       3.42431  151.14       3.26066  12.2788  0.13944   12.2913  0.132641  
1 1 1 36 11 3  o 11.9803  0.0968952 143.561      2.32167  144.256      3.50259  143.016      3.10069  12.0075  0.14585   11.9565  0.129666  
1 1 1 36 11 4  o 5.6899   0.0702773 32.379       0.799742 32.8183      1.16865  31.9922      1.09678  5.72796  0.102013  5.65549  0.0969661 
1 1 1 36 11 5  f 3.43712  0.0844194 11.816       0.58032  11.4453      0.912969 12.0674      0.751724 3.38227  0.134964  3.47328  0.108215  
1 1 1 36 11 6  o 6.17506  0.0687298 38.1363      0.848822 37.8412      1.18003  38.4527      1.22189  6.15074  0.0959259 6.2002   0.0985365 
1 1 1 36 11 7  o 12.7562  0.0970901 162.764      2.47699  164.785      3.57251  160.892      3.43739  12.8333  0.139189  12.681   0.135533  
1 1 1 36 11 8  o 16.6651  0.120345  277.846      4.01111  276.015      5.64627  279.711      5.69923  16.6065  0.170002  16.7172  0.17046   
1 1 1 36 11 9  o 10.8443  0.0928607 117.632      2.01403  117.995      2.9514   117.317      2.75524  10.8593  0.135893  10.8285  0.127222  
1 1 1 36 11 10 o 9.64256  0.0862422 93.0036      1.66319  93.4042      2.36653  92.6126      2.33795  9.66199  0.122466  9.621    0.121502  
1 1 1 36 11 11 o 3.27305  0.0954364 10.7168      0.624737 10.9281      0.895452 10.5165      0.872036 3.30451  0.135489  3.24172  0.134502  
1 1 1 36 11 12 o 6.35005  0.0742911 40.3333      0.943503 40.4833      1.35468  40.1921      1.31484  6.36097  0.106484  6.33814  0.103725  
1 1 1 36 11 13 o 6.47471  0.0773138 41.9347      1.00117  41.3339      1.437    42.5014      1.39563  6.42709  0.111793  6.51739  0.10707   
1 1 1 36 11 14 o 7.19237  0.082642  51.7504      1.18878  51.8179      1.71446  51.688       1.64979  7.19554  0.119134  7.18673  0.11478   
1 1 1 36 11 15 o 4.11438  0.0882096 16.9365      0.725855 17.3493      1.04773  16.5555      1.00653  4.16311  0.125835  4.06683  0.123749  
1 1 1 36 11 16 o 7.44246  0.0779188 55.4149      1.15981  57.3426      1.69307  53.7104      1.59204  7.56897  0.111843  7.32552  0.108664  
1 1 1 36 11 17 o 2.50038  0.126819  6.26068      0.63419  5.91587      0.873296 6.64543      0.922484 2.42881  0.179778  2.57425  0.179175  
1 1 1 36 11 18 o 10.3883  0.0900489 108.008      1.8709   107.458      2.67132  108.537      2.6211   10.3572  0.128959  10.4095  0.1259    
1 1 1 36 11 19 o 7.63238  0.081189  58.2979      1.23933  60.0513      1.71829  56.3967      1.78921  7.74371  0.110948  7.50354  0.119225  
1 1 1 36 11 20 o 7.57838  0.0821775 57.4848      1.24554  57.9107      1.74935  57.0469      1.77384  7.60304  0.115043  7.54583  0.117538  
1 1 1 36 11 21 o 3.33103  0.104076  11.114       0.693359 10.3268      0.936292 12.07        1.03176  3.20829  0.145918  3.46829  0.148742  
1 1 1 36 11 22 f 4.91246  0.0852497 24.1634      0.837571 24.6168      1.15172  23.6543      1.22025  4.95557  0.116205  4.85675  0.125625  
1 1 1 36 11 23 o 3.4208   0.106682  11.7287      0.729877 10.8743      1.00766  12.6717      1.05863  3.2899   0.153145  3.55184  0.149026  
1 1 1 36 11 24 o 5.08073  0.0886687 25.8595      0.901004 24.568       1.20291  27.5103      1.35991  4.94842  0.121545  5.23513  0.129883  
1 1 1 36 11 25 o 3.82818  0.107104  14.6999      0.820026 14.7269      1.12682  14.6694      1.19562  3.82658  0.147236  3.81767  0.156591  
1 1 1 36 11 26 o 2.51264  0.146918  6.35457      0.738303 7.34592      1.03742  5.33717      1.05095  2.69532  0.192448  2.29213  0.229253  
1 1 1 36 11 27 o 2.88186  0.150671  8.37083      0.868422 7.68606      1.28955  8.9391       1.17474  2.7459   0.234813  2.96949  0.197801  
1 1 1 36 11 28 o 0.821374 0.32342   0.430918     0.7789   0.426936     1.08165  0.435206     1.12255  0.921344 0.374251  0.936089 0.380919  
1 1 1 36 11 29 f 1.14019  0.339239  1.38359      0.830115 0.398506     1.20064  2.28574      1.14898  0.950122 0.391493  1.44263  0.389219  
1 1 1 36 11 30 o 3.28089  0.13389   10.8617      0.878555 10.6206      1.27963  11.0767      1.20836  3.22711  0.198262  3.3004   0.183062  
1 1 1 36 11 31 o 2.11353  0.20453   4.57521      0.864561 5.52534      1.20008  3.55002      1.24659  2.30571  0.260241  1.79132  0.360619  
1 1 1 36 11 32 o 1.40591  0.306149  2.16805      0.836883 2.72379      1.20145  1.64427      1.16639  1.54746  0.388458  1.22721  0.407158  
1 1 1 36 11 33 o 0.657027 0.29677   -0.330146    0.829451 -0.982504    1.16054  0.351059     1.18592  0.697737 0.327279  0.912053 0.383279  
1 1 1 36 11 34 o 0.771135 0.325541  0.190488     0.862004 -0.381512    1.2218   0.757389     1.21634  0.795038 0.359588  0.996508 0.400078  
1 1 1 36 11 35 o 1.90316  0.241651  3.83444      0.919801 4.41375      1.26979  3.19488      1.33419  2.00288  0.316991  1.6268   0.409945  
1 1 1 36 11 36 o 2.09238  0.221872  4.64277      0.928477 4.96696      1.26427  4.26321      1.36799  2.11602  0.298738  1.88799  0.375618  
1 1 1 36 11 37 o 2.35345  0.204444  5.87708      0.962297 7.08774      1.3439   4.60318      1.37855  2.53577  0.264989  1.94569  0.367664  
1 1 1 36 11 38 f 1.43084  0.334948  2.53885      0.942569 3.58538      1.30508  1.39773      1.36278  1.64141  0.400532  1.06343  0.424917  
1 1 1 36 11 39 o 1.1692   0.374012  1.88723      0.9869   2.19457      1.36825  1.55393      1.42484  1.19483  0.437788  1.05385  0.429047  
1 1 1 36 11 40 o 0.746742 0.338028  0.190245     1.08192  0.117707     1.53238  0.262347     1.52776  0.815448 0.381002  0.831192 0.385277  
1 1 1 36 11 41 o 0.72316  0.334409  0.264081     1.14222  0.938739     1.77258  -0.214976    1.49368  0.849025 0.399726  0.722329 0.348105  
1 1 1 36 11 42 o 0.799911 0.358301  0.982244     1.18518  1.71694      1.61815  0.132011     1.74075  0.885147 0.404715  0.742631 0.361965  
1 1 1 36 12 0  o 7.03194  0.0962731 49.4818      1.3534   49.4818      1.3534   49.4818      1.3534   7.03314  0.0680494 ?        ?         
1 1 1 36 12 1  o 2.69277  0.102949  7.25298      0.554435 7.58064      0.794239 6.94155      0.77432  2.75256  0.144273  2.63395  0.146989  
1 1 1 36 12 2  o 11.2397  0.0873493 126.355      1.96355  124.18       2.77268  128.543      2.78111  11.1414  0.124432  11.3355  0.122673  
1 1 1 36 12 3  o 5.47205  0.0670919 29.9469      0.73426  28.7767      1.06237  31.0171      1.01598  5.36369  0.0990338 5.56869  0.0912227 
1 1 1 36 12 4  o 5.07211  0.0728949 25.73        0.739463 26.2026      1.12914  25.3751      0.978485 5.118    0.11031   5.03672  0.0971351 
1 1 1 36 12 5  o 10.1308  0.0793052 102.652      1.60686  100.96       2.29982  104.265      2.24601  10.046   0.114464  10.2093  0.109998  
1 1 1 36 12 6  o 9.82096  0.0791821 96.4689      1.55529  94.1088      2.1908   98.8669      2.20833  9.69916  0.112938  9.9414   0.111067  
1 1 1 36 12 7  o 8.34535  0.078852  69.6581      1.3161   70.7705      1.87992  68.5888      1.84311  8.41092  0.111755  8.28027  0.111295  
1 1 1 36 12 8  o 11.1741  0.0961794 124.897      2.14943  127.532      2.99593  122.101      3.08555  11.2898  0.132683  11.0465  0.139663  
1 1 1 36 12 9  o 19.4044  0.145022  376.812      5.62811  382.207      8.27328  372.164      7.67865  19.5345  0.211761  19.2779  0.199156  
1 1 1 36 12 10 o 15.4798  0.117063  239.755      3.62423  241.307      5.22168  238.313      5.03432  15.5252  0.168168  15.4291  0.163144  
1 1 1 36 12 11 o 3.11358  0.0976478 9.69854      0.608068 9.77596      0.860034 9.62115      0.859842 3.1253   0.137592  3.10044  0.138665  
1 1 1 36 12 12 o 10.1424  0.0858044 102.905      1.74052  104.463      2.48559  101.407      2.43803  10.2169  0.121641  10.0664  0.121097  
1 1 1 36 12 13 o 12.338   0.100584  152.313      2.48201  151.294      3.58964  153.246      3.43561  12.2929  0.146005  12.3727  0.138838  
1 1 1 36 12 14 o 3.29263  0.102979  10.8485      0.678146 10.2774      0.939045 11.4709      0.980377 3.20372  0.146556  3.38468  0.144826  
1 1 1 36 12 15 o 4.48942  0.0829247 20.1645      0.744567 19.5951      1.04683  20.7474      1.05923  4.42447  0.1183    4.55276  0.116328  
1 1 1 36 12 16 o 6.63866  0.0771096 44.0928      1.02381  44.3153      1.45648  43.8756      1.43944  6.65374  0.109448  6.6207   0.108708  
1 1 1 36 12 17 o 8.33602  0.0819077 69.5348      1.36557  68.4016      1.84944  70.8932      2.02487  8.26549  0.111877  8.41388  0.120329  
1 1 1 36 12 18 o 3.12585  0.10688   9.78322      0.668179 9.55022      0.944563 10.0166      0.945334 3.08637  0.153022  3.16101  0.14953   
1 1 1 36 12 19 o 3.99682  0.0962425 15.9931      0.769327 15.2004      1.0019   17.1319      1.20093  3.89473  0.128623  4.1336   0.145264  
1 1 1 36 12 20 o 8.28262  0.0819565 68.6677      1.35763  69.0658      1.87926  68.2331      1.96347  8.30294  0.113168  8.25194  0.11897   
1 1 1 36 12 21 o 3.01587  0.111979  9.11397      0.675425 8.68974      0.915506 9.62066      1.00054  2.94201  0.155592  3.0951   0.161633  
1 1 1 36 12 22 o 2.68749  0.124658  7.24361      0.670032 6.90035      0.920262 7.63086      0.977458 2.61928  0.175671  2.75428  0.177444  
1 1 1 36 12 23 o 6.49411  0.0837363 42.2351      1.08759  42.6958      1.50392  41.73        1.57468  6.52524  0.115238  6.44994  0.122069  
1 1 1 36 12 24 o 2.84597  0.129657  8.13202      0.738002 8.03718      0.981309 8.25549      1.11972  2.82485  0.173692  2.8602   0.195742  
1 1 1 36 12 25 f 4.02235  0.1027    16.2273      0.826192 15.5249      1.11535  17.0812      1.22984  3.92915  0.141933  4.12017  0.149247  
1 1 1 36 12 26 o 6.84152  0.0901038 46.9261      1.23289  46.2346      1.70151  47.6905      1.78892  6.78267  0.125431  6.8874   0.129869  
1 1 1 36 12 27 o 1.61557  0.252623  2.67016      0.816263 3.49485      1.19802  1.95559      1.11517  1.80441  0.344314  1.34515  0.391175  
1 1 1 36 12 28 f 2.74315  0.147669  7.58815      0.810159 7.02812      1.10857  8.23013      1.18691  2.62857  0.21087   2.845    0.208595  
1 1 1 36 12 29 o 2.70532  0.165367  7.4069       0.894744 7.64694      1.25443  7.1583       1.27658  2.73368  0.22944   2.64162  0.241628  
1 1 1 36 12 30 o 3.67086  0.128383  13.5909      0.942555 13.6516      1.40426  13.5411      1.27155  3.65982  0.191848  3.65104  0.174135  
1 1 1 36 12 31 o 0.631674 0.289267  -0.51079     0.830222 -1.68188     1.13721  0.825673     1.21485  0.619827 0.299758  1.0304   0.404489  
1 1 1 36 12 32 o 1.66903  0.252481  2.90515      0.842798 1.05343      1.17832  4.84476      1.20596  1.0701   0.403664  2.14473  0.281145  
1 1 1 36 12 33 o 0.725463 0.314603  -0.00488949  0.844399 -0.35412     1.20552  0.331481     1.18312  0.797539 0.359138  0.906791 0.382029  
1 1 1 36 12 34 o 1.31635  0.337165  1.97373      0.891582 2.53061      1.24641  1.39019      1.27588  1.46041  0.410021  1.14876  0.422573  
1 1 1 36 12 35 o 1.72676  0.256719  3.19229      0.886586 3.59175      1.24278  2.77832      1.26516  1.74954  0.366914  1.50827  0.409094  
1 1 1 36 12 36 f 0.820202 0.340026  0.415993     0.913541 0.153117     1.2763   0.692159     1.30817  0.868028 0.381561  0.968638 0.404555  
1 1 1 36 12 37 o 0.781481 0.332663  0.303278     0.912792 1.46803      1.27089  -0.937741    1.31184  1.10175  0.418156  0.719742 0.340572  
1 1 1 36 12 38 o 2.37889  0.209619  6.12896      0.997322 6.02978      1.41173  6.22778      1.40912  2.25722  0.312714  2.30142  0.306143  
1 1 1 36 12 39 o 0.885137 0.360826  0.89472      1.00905  1.0051       1.42979  0.785193     1.42426  0.944506 0.409482  0.910384 0.401466  
1 1 1 36 12 40 o 1.29229  0.395885  2.5708       1.11948  2.15558      1.59122  2.97772      1.57526  1.09601  0.450997  1.26067  0.468516  
1 1 1 36 12 41 o 0.892371 0.376807  1.37367      1.1553   1.07797      1.77082  1.5928       1.5244   0.847903 0.399294  0.908049 0.406557  
1 1 1 36 12 42 o 0.810262 0.365428  1.30302      1.2529   0.847086     1.60742  2.00883      1.99996  0.753587 0.362665  0.836948 0.40321   
1 1 1 36 13 0  o 6.47216  0.098431  41.9234      1.27346  41.9234      1.27346  41.9234      1.27346  6.47349  0.0695687 ?        ?         
1 1 1 36 13 1  o 4.19713  0.0796935 17.6189      0.668967 18.5369      0.939959 16.6767      0.952287 4.30475  0.109177  4.08295  0.116618  
1 1 1 36 13 2  o 13.4094  0.102956  179.863      2.76115  179.857      4.07037  179.869      3.75802  13.4068  0.151803  13.4079  0.140143  
1 1 1 36 13 3  o 4.95054  0.0673546 24.511       0.666884 24.7844      0.963626 24.2596      0.923862 4.97773  0.0967937 4.92479  0.093797  
1 1 1 36 13 4  f 11.8796  0.0945089 141.162      2.24546  138.482      3.20201  143.755      3.14976  11.7647  0.136086  11.9868  0.131384  
1 1 1 36 13 5  o 2.78308  0.0884127 7.74736      0.49212  7.90054      0.675799 7.57442      0.718046 2.81018  0.120241  2.75146  0.130484  
1 1 1 36 13 6  o 12.849   0.102506  165.149      2.6342   161.028      3.69117  169.427      3.76043  12.6855  0.145488  13.0122  0.144496  
1 1 1 36 13 7  o 21.528   0.155742  463.822      6.7056   461.02       9.44891  466.665      9.51776  21.4543  0.22021   21.5852  0.22047   
1 1 1 36 13 8  o 10.027   0.0883539 100.568      1.77184  104.587      2.75848  97.7451      2.31181  10.2234  0.13491   9.88418  0.116945  
1 1 1 36 13 9  f 6.82014  0.0717881 46.5239      0.979209 47.3365      1.40325  45.7526      1.36708  6.87871  0.101999  6.76268  0.101075  
1 1 1 36 13 10 o 2.53582  0.112148  6.43397      0.568775 5.76707      0.817385 7.06003      0.791955 2.3999   0.170296  2.65574  0.149103  
1 1 1 36 13 11 o 3.88103  0.0845573 15.0677      0.656339 15.0158      0.96522  15.1123      0.895142 3.87354  0.124591  3.88619  0.11517   
1 1 1 36 13 12 o 4.70073  0.0779633 22.1041      0.732969 22.8235      1.07662  21.4826      1.00068  4.77576  0.112718  4.63348  0.107984  
1 1 1 36 13 13 o 9.50462  0.0898751 90.3812      1.70846  90.3741      2.53077  90.3872      2.31577  9.5015   0.133178  9.503    0.121844  
1 1 1 36 13 14 o 14.1765  0.108154  201.13       3.06651  197.486      4.21982  205.208      4.46385  14.0423  0.150253  14.3134  0.155933  
1 1 1 36 13 15 o 13.5223  0.104123  183.003      2.81598  183.931      4.0117   182.102      3.95373  13.5508  0.148025  13.4834  0.146614  
1 1 1 36 13 16 o 6.21338  0.0743772 38.6252      0.924268 36.9066      1.28206  40.4851      1.33369  6.07204  0.105571  6.35965  0.104856  
1 1 1 36 13 17 o 5.25551  0.0796455 27.6389      0.837156 26.8824      1.16818  28.4377      1.20031  5.18137  0.112729  5.32915  0.112618  
1 1 1 36 13 18 o 6.29936  0.0833596 39.714       1.05023  39.7939      1.48668  39.6345      1.48381  6.30312  0.117932  6.29048  0.117941  
1 1 1 36 13 19 o 2.17505  0.152886  4.74586      0.665071 4.64966      0.876036 4.87674      1.0218   2.15027  0.203704  2.20031  0.232196  
1 1 1 36 13 20 o 1.88408  0.162562  3.56387      0.612563 3.36108      0.828457 3.80845      0.90984  1.8262   0.226825  1.94345  0.234078  
1 1 1 36 13 21 o 3.7335   0.0962349 13.9615      0.718586 13.6615      0.957982 14.3474      1.08659  3.69071  0.129783  3.78098  0.143692  
1 1 1 36 13 22 f 3.62158  0.0984439 13.1411      0.713046 13.4159      1.00216  12.8593      1.01475  3.65599  0.137058  3.57889  0.141769  
1 1 1 36 13 23 o 1.08146  0.29211   1.23157      0.646713 0.770569     0.869118 1.80347      0.968038 0.955627 0.349035  1.30412  0.359688  
1 1 1 36 13 24 o 3.18853  0.117546  10.2026      0.7496   10.3039      1.0281   10.0877      1.09527  3.19949  0.160667  3.16408  0.173079  
1 1 1 36 13 25 o 5.27326  0.0917971 27.8759      0.968139 27.4628      1.33981  28.3273      1.40052  5.22802  0.128137  5.30891  0.131903  
1 1 1 36 13 26 o 1.67863  0.216821  2.86167      0.727926 1.47393      1.01666  4.32149      1.04272  1.1908   0.379476  2.05678  0.253485  
1 1 1 36 13 27 f 4.57055  0.108438  20.9779      0.991244 20.5111      1.42138  21.4198      1.38307  4.50871  0.157626  4.60944  0.150026  
1 1 1 36 13 28 f 1.29454  0.302177  1.80234      0.768876 2.59359      1.0577   0.915666     1.11966  1.54464  0.350359  1.04614  0.393757  
1 1 1 36 13 29 o 1.32949  0.30975   1.92005      0.809094 1.45345      1.10992  2.44915      1.18193  1.18199  0.39718   1.48277  0.392384  
1 1 1 36 13 30 o 2.35606  0.175266  5.64535      0.825873 4.64196      1.17147  6.63681      1.16448  2.10983  0.277622  2.53939  0.229284  
1 1 1 36 13 31 o 0.623016 0.28639   -0.538095    0.822428 -1.20161     1.12905  0.211938     1.2004   0.6656   0.315425  0.898758 0.382005  
1 1 1 36 13 32 o 4.85714  0.111182  23.8002      1.08006  25.0129      1.53793  22.6199      1.51715  4.95898  0.155065  4.71273  0.160963  
1 1 1 36 13 33 o 0.655351 0.297462  -0.373689    0.844079 -0.245761    1.21149  -0.494371    1.17668  0.815573 0.363864  0.767019 0.348961  
1 1 1 36 13 34 o 2.47051  0.188669  6.29534      0.932218 7.11157      1.30409  5.4424       1.3331   2.59518  0.251252  2.24696  0.296645  
1 1 1 36 13 35 o 0.664253 0.301214  -0.299558    0.862807 -0.446888    1.20245  -0.1432      1.23875  0.763937 0.349121  0.818177 0.3664    
1 1 1 36 13 36 o 1.13052  0.356553  1.52382      0.899279 1.25892      1.26352  1.79575      1.28019  1.07393  0.414365  1.2051   0.425229  
1 1 1 36 13 37 f 2.00685  0.237316  4.39789      0.952517 3.88259      1.32174  4.95466      1.3739   1.74375  0.388994  2.04377  0.336119  
1 1 1 36 13 38 o 0.784921 0.334957  0.381864     0.929485 0.00804551   1.31076  0.759971     1.31825  0.81254  0.369307  0.92958  0.397865  
1 1 1 36 13 39 o 0.866001 0.360998  0.832456     1.03858  -1.30881     1.47819  2.91997      1.45952  0.685081 0.33385   1.31544  0.455007  
1 1 1 36 13 40 o 0.654109 0.308811  -0.382627    1.07215  0.507524     1.49801  -1.3175      1.53518  0.833619 0.384524  0.675039 0.331569  
1 1 1 36 13 41 o 0.581509 0.286416  -1.13518     1.17627  -0.444737    1.75656  -1.6965      1.58381  0.725783 0.355908  0.626475 0.312357  
1 1 1 36 13 42 o 0.591126 0.291126  -0.703768    1.23489  -1.11086     1.67445  -0.218314    1.82851  0.622729 0.311575  0.681317 0.339128  
1 1 1 36 14 0  o 6.90659  0.104987  47.7417      1.44945  47.7417      1.44945  47.7417      1.44945  6.90806  0.0742021 ?        ?         
1 1 1 36 14 1  o 11.8422  0.0936561 140.273      2.21818  143.254      3.3187   137.866      2.98219  11.9655  0.138678  11.7388  0.127022  
1 1 1 36 14 2  o 20.1518  0.147866  406.36       5.95954  403.133      8.26318  409.857      8.60323  20.0655  0.205905  20.2313  0.212621  
1 1 1 36 14 3  f 3.83825  0.0837876 14.7353      0.643196 14.2915      0.864047 15.2868      0.963249 3.77967  0.114302  3.90894  0.123211  
1 1 1 36 14 4  o 4.68195  0.0738169 21.9243      0.691213 21.5734      0.94915  22.3207      1.0086   4.64396  0.102192  4.72364  0.106761  
1 1 1 36 14 5  o 8.46889  0.0762705 71.7355      1.29185  71.3812      1.84495  72.0764      1.80948  8.44712  0.109206  8.48824  0.106588  
1 1 1 36 14 6  o 14.2635  0.110553  203.532      3.15374  199.13       4.5135   207.731      4.40847  14.1052  0.159995  14.4071  0.152996  
1 1 1 36 14 7  o 14.5823  0.122366  212.761      3.56877  215.281      5.26226  210.615      4.85616  14.6637  0.179431  14.5051  0.167395  
1 1 1 36 14 8  o 14.9415  0.118285  223.376      3.5347   225.645      5.05174  221.199      4.94755  15.0128  0.168248  14.8643  0.166423  
1 1 1 36 14 9  o 9.04123  0.0828119 81.7689      1.49744  83.0635      2.18798  80.6281      2.05379  9.11095  0.120074  8.97666  0.114396  
1 1 1 36 14 10 o 13.1813  0.100417  173.832      2.64726  172.053      3.80807  175.496      3.68266  13.1102  0.145233  13.2413  0.13906   
1 1 1 36 14 11 o 8.57953  0.0803923 73.6336      1.37945  70.9538      1.95249  76.3045      1.94921  8.42041  0.115938  8.73236  0.111608  
1 1 1 36 14 12 o 11.7008  0.101215  136.991      2.3686   134.537      3.39242  139.324      3.30858  11.5918  0.146329  11.7968  0.140232  
1 1 1 36 14 13 o 7.70039  0.0823014 59.3218      1.26751  59.927       1.87005  58.8076      1.72391  7.73758  0.120842  7.66546  0.112447  
1 1 1 36 14 14 o 8.27115  0.0807766 68.4442      1.33623  69.476       1.90137  67.4373      1.87828  8.33126  0.11411   8.20809  0.114416  
1 1 1 36 14 15 o 5.75745  0.0771064 33.1647      0.887873 33.2266      1.2422   33.1001      1.26953  5.76144  0.107803  5.75032  0.110388  
1 1 1 36 14 16 o 3.41152  0.0954714 11.6492      0.651405 11.0695      0.920309 12.2312      0.922144 3.3239   0.138438  3.49426  0.131951  
1 1 1 36 14 17 o 10.953   0.0900263 120.076      1.97211  116.335      2.75285  124.019      2.82658  10.7761  0.127729  11.1264  0.127021  
1 1 1 36 14 18 o 3.3492   0.107516  11.2334      0.720187 11.2804      0.974524 11.1769      1.06902  3.35418  0.14527   3.33779  0.160139  
1 1 1 36 14 19 o 2.74725  0.122937  7.56363      0.675477 7.92939      0.907228 7.10866      1.01185  2.81067  0.16139   2.65931  0.190247  
1 1 1 36 14 20 o 2.16335  0.145501  4.69601      0.62954  4.77773      0.864501 4.60376      0.918564 2.17886  0.198384  2.13765  0.214854  
1 1 1 36 14 21 o 2.35932  0.139302  5.58634      0.657317 5.41076      0.888954 5.79814      0.976354 2.31823  0.191731  2.39876  0.203512  
1 1 1 36 14 22 o 0.891666 0.297284  0.767578     0.621815 0.712902     0.829663 0.837653     0.939259 0.927913 0.340815  0.994614 0.362888  
1 1 1 36 14 23 o 4.10121  0.0951351 16.8552      0.780339 16.6387      1.05948  17.1119      1.15366  4.07109  0.130122  4.12734  0.139758  
1 1 1 36 14 24 o 3.35501  0.112698  11.2954      0.756208 10.477       1.02368  12.2784      1.12194  3.22579  0.158672  3.49181  0.160653  
1 1 1 36 14 25 o 1.38221  0.2621    2.0113       0.698287 1.40668      0.957618 2.69785      1.02043  1.16513  0.367989  1.588    0.332055  
1 1 1 36 14 26 o 0.757102 0.310491  0.228319     0.751669 0.263886     1.06318  0.192773     1.06286  0.881447 0.366204  0.866294 0.363392  
1 1 1 36 14 27 o 2.15407  0.183634  4.69748      0.791121 5.13306      1.09173  4.21584      1.14802  2.24115  0.243566  2.02333  0.283694  
1 1 1 36 14 28 o 2.02659  0.196841  4.17117      0.797834 4.12555      1.12575  4.21721      1.13088  1.99913  0.281561  2.02163  0.279695  
1 1 1 36 14 29 o 0.657453 0.295604  -0.329078    0.8136   -1.07483     1.09171  0.60254      1.22019  0.669114 0.314636  0.990534 0.399453  
1 1 1 36 14 30 o 1.41433  0.29193   2.16691      0.797599 0.822773     1.10353  3.63713      1.15412  1.00486  0.387342  1.82786  0.327568  
1 1 1 36 14 31 o 2.9747   0.158046  8.98921      0.940278 9.10748      1.32174  8.86803      1.33791  2.97112  0.222432  2.92937  0.228361  
1 1 1 36 14 32 o 1.83232  0.233475  3.49402      0.855599 3.05218      1.17377  3.99496      1.24981  1.63942  0.367171  1.89511  0.342277  
1 1 1 36 14 33 o 2.84603  0.165992  8.27868      0.944835 8.302        1.34661  8.25608      1.32603  2.8176   0.238963  2.8114   0.23583   
1 1 1 36 14 34 o 1.95588  0.23183   4.02022      0.906864 4.94354      1.2974   3.13812      1.2681   2.13204  0.304262  1.62801  0.393297  
1 1 1 36 14 35 o 1.98916  0.227748  4.20259      0.906056 4.28253      1.25078  4.11433      1.31429  1.95336  0.32016   1.86506  0.365374  
1 1 1 36 14 36 o 1.52826  0.306931  2.70183      0.905114 3.74103      1.2775   1.65439      1.28256  1.74829  0.37614   1.16314  0.424084  
1 1 1 36 14 37 o 2.46648  0.197546  6.50112      0.974485 4.43852      1.33869  8.82608      1.42128  1.87729  0.369716  2.81671  0.252294  
1 1 1 36 14 38 o 0.746789 0.323911  0.263871     0.895418 -0.206114    1.27013  0.728251     1.26253  0.767868 0.354148  0.906543 0.38873   
1 1 1 36 14 39 o 2.23285  0.252924  5.85165      1.12948  5.32115      1.5676   6.4244       1.62882  1.87698  0.427075  2.11848  0.399059  
1 1 1 36 14 40 o 0.808282 0.351811  0.802355     1.06328  0.524979     1.51379  1.07246      1.49383  0.809686 0.378455  0.873372 0.396176  
1 1 1 36 14 41 o 0.712455 0.333538  0.190389     1.18421  0.0727412    1.75368  0.289003     1.60557  0.764355 0.370101  0.769917 0.368552  
1 1 1 36 15 0  o 10.0589  0.139677  101.27       2.80877  101.27       2.80877  101.27       2.80877  10.0611  0.0987234 ?        ?         
1 1 1 36 15 1  o 23.5889  0.178142  556.993      8.40435  562.173      11.984   551.98       11.7894  23.6862  0.252975  23.4709  0.25115   
1 1 1 36 15 2  o 16.1424  0.125692  260.707      4.05794  263.039      5.78289  258.444      5.69569  16.2103  0.178372  16.0681  0.177236  
1 1 1 36 15 3  o 2.93149  0.0944486 8.59615      0.55375  9.25161      0.783543 7.9421       0.782701 3.04082  0.128837  2.81728  0.138911  
1 1 1 36 15 4  o 14.4692  0.11444   209.452      3.3117   205.705      4.63501  213.359      4.73346  14.336   0.161656  14.6003  0.162102  
1 1 1 36 15 5  o 6.486    0.0735462 42.0764      0.954041 42.2007      1.41155  41.9718      1.29448  6.49482  0.108667  6.4774   0.0999225 
1 1 1 36 15 6  o 7.08013  0.0784909 50.1402      1.11145  49.5362      1.61612  50.6822      1.53099  7.0364   0.11484   7.11754  0.107551  
1 1 1 36 15 7  o 6.87462  0.0788859 47.2727      1.08462  47.9347      1.52755  46.5995      1.5403   6.92171  0.110345  6.82454  0.11285   
1 1 1 36 15 8  o 6.43207  0.0772425 41.3827      0.993659 42.9733      1.43977  39.9361      1.37309  6.55359  0.109846  6.31779  0.108668  
1 1 1 36 15 9  o 0.683626 0.281793  0.133734     0.622285 -0.0152252   0.910799 0.264144     0.852207 0.779165 0.332007  0.818739 0.332321  
1 1 1 36 15 10 o 5.70652  0.0709941 32.5731      0.810258 31.5085      1.21528  33.425       1.08715  5.61151  0.108284  5.78009  0.0940431 
1 1 1 36 15 11 o 6.53423  0.0777843 42.7111      1.01652  40.3217      1.49174  44.7824      1.38892  6.34741  0.117508  6.68989  0.103807  
1 1 1 36 15 12 o 8.69902  0.0823752 75.7053      1.43317  78.0619      2.13211  73.7629      1.93571  8.83117  0.120715  8.58506  0.112737  
1 1 1 36 15 13 o 13.4669  0.102787  181.492      2.76844  180.14       4.07882  182.646      3.76974  13.4107  0.152074  13.5053  0.139565  
1 1 1 36 15 14 o 6.85614  0.0755123 47.028       1.03545  46.5444      1.44252  47.5419      1.48718  6.81928  0.105768  6.89184  0.107894  
1 1 1 36 15 15 o 3.4933   0.0918018 12.2128      0.641382 13.0147      0.895447 11.3681      0.919119 3.60497  0.124196  3.36871  0.13642   
1 1 1 36 15 16 o 6.95549  0.0782145 48.4107      1.08804  48.0987      1.50133  48.7558      1.57905  6.93097  0.108306  6.97776  0.113149  
1 1 1 36 15 17 o 7.52258  0.077986  56.6299      1.17331  55.4137      1.62561  57.9526      1.6952   7.43876  0.109266  7.60705  0.111423  
1 1 1 36 15 18 o 1.85606  0.169593  3.45848      0.629549 3.06942      0.840325 3.95618      0.950443 1.74508  0.24077   1.98124  0.23986   
1 1 1 36 15 19 o 2.28278  0.141319  5.22673      0.6452   5.66095      0.879156 4.71987      0.949839 2.37309  0.185234  2.16462  0.219401  
1 1 1 36 15 20 o 3.32112  0.101663  11.0495      0.675271 12.7722      0.961178 9.37056      0.948896 3.5682   0.134687  3.05473  0.155316  
1 1 1 36 15 21 o 3.73455  0.0984791 13.9734      0.73555  13.0074      0.993376 15.1459      1.09439  3.59987  0.137974  3.88422  0.140877  
1 1 1 36 15 22 f 4.81743  0.0876946 23.2459      0.844925 22.8017      1.1352   23.7976      1.26513  4.76793  0.119046  4.86953  0.129903  
1 1 1 36 15 23 o 3.99031  0.0974862 15.9602      0.778001 15.6286      1.05054  16.3629      1.15779  3.94465  0.13316   4.03484  0.143474  
1 1 1 36 15 24 o 2.55386  0.139708  6.55874      0.71359  6.16025      0.980379 7.00774      1.04065  2.46816  0.198605  2.63261  0.197647  
1 1 1 36 15 25 o 6.24759  0.0864866 39.1259      1.08067  39.4664      1.48654  38.7443      1.57378  6.26795  0.118582  6.20834  0.126747  
1 1 1 36 15 26 o 1.35295  0.287733  1.95318      0.755241 2.64178      1.08706  1.31067      1.05004  1.56096  0.355966  1.1435   0.386318  
1 1 1 36 15 27 o 3.73176  0.115573  13.9984      0.862586 14.268       1.22132  13.7301      1.21845  3.75802  0.162495  3.68585  0.165287  
1 1 1 36 15 28 o 1.94334  0.202811  3.84548      0.788264 3.45536      1.11787  4.2313       1.1117   1.79316  0.323535  2.02331  0.274723  
1 1 1 36 15 29 o 1.00966  0.333318  1.04756      0.78169  1.78764      1.01947  -0.00834359  1.21772  1.27591  0.374973  0.87131  0.377824  
1 1 1 36 15 30 o 2.02309  0.203733  4.19316      0.824343 3.62437      1.14928  4.79586      1.18305  1.82374  0.326936  2.14225  0.276122  
1 1 1 36 15 31 o 1.33432  0.32995   1.97964      0.876714 2.55426      1.2344   1.39473      1.2454   1.49207  0.403816  1.1667   0.418628  
1 1 1 36 15 32 o 1.55067  0.288157  2.62266      0.860238 2.31934      1.19224  2.95207      1.24243  1.4147   0.402252  1.5991   0.391169  
1 1 1 36 15 33 o 2.08217  0.219496  4.51697      0.914059 2.80068      1.26912  6.36685      1.31759  1.53842  0.406364  2.44768  0.269151  
1 1 1 36 15 34 o 2.41584  0.188791  6.05107      0.912179 5.48325      1.27966  6.63764      1.30062  2.25006  0.284362  2.49064  0.261102  
1 1 1 36 15 35 o 0.712449 0.316435  -0.102059    0.906439 0.639192     1.29042  -0.824048    1.27354  0.956928 0.400865  0.734425 0.344192  
1 1 1 36 15 36 o 1.09005  0.356245  1.43417      0.892923 2.09033      1.22603  0.692961     1.30306  1.26965  0.417437  0.95084  0.400773  
1 1 1 36 15 37 o 2.04909  0.2313    4.61292      0.947912 3.14328      1.30142  6.27361      1.38343  1.51442  0.416771  2.32236  0.29785   
1 1 1 36 15 38 o 1.64022  0.323599  3.37848      1.02375  4.66063      1.43044  2.03209      1.46583  1.8349   0.400846  1.14882  0.445676  
1 1 1 36 15 39 o 0.658477 0.308919  -0.364083    1.03564  1.34733      1.47802  -2.01478     1.45157  0.973781 0.419169  0.622959 0.30891   
1 1 1 36 15 40 o 0.682813 0.316831  0.0797011    1.03662  -0.503377    1.49037  0.626147     1.4428   0.70033  0.339654  0.803109 0.373085  
1 1 1 36 15 41 o 0.760215 0.349054  0.640058     1.21781  1.74218      1.75949  -0.373447    1.68727  0.892286 0.413545  0.711307 0.348812  
1 1 1 36 16 0  o 14.6042  0.163088  213.463      4.76222  213.463      4.76222  213.463      4.76222  14.6073  0.11528   ?        ?         
1 1 1 36 16 1  o 8.00234  0.0766776 64.0507      1.2272   62.6283      1.63736  65.874       1.85377  7.91231  0.103469  8.11441  0.114227  
1 1 1 36 16 2  o 10.521   0.0882922 110.722      1.85784  110.114      2.64691  111.313      2.60829  10.4905  0.126158  10.5476  0.123644  
1 1 1 36 16 3  o 7.07891  0.0789641 50.1225      1.11796  49.9675      1.53154  50.2992      1.63565  7.06723  0.108355  7.09044  0.115342  
1 1 1 36 16 4  o 5.07322  0.0723072 25.7428      0.733661 25.8928      1.04111  25.5948      1.03403  5.08746  0.102321  5.0581   0.102216  
1 1 1 36 16 5  o 3.87148  0.0925568 14.9936      0.716664 14.2423      1.04578  15.6589      0.984068 3.7724   0.138609  3.95587  0.124381  
1 1 1 36 16 6  o 3.26161  0.103157  10.6431      0.672918 10.3541      0.945802 10.9393      0.957608 3.21623  0.147036  3.30592  0.144832  
1 1 1 36 16 7  o 11.5852  0.0994679 134.279      2.30471  134.89       3.18184  133.604      3.34282  11.6091  0.137041  11.553   0.144673  
1 1 1 36 16 8  o 14.8919  0.113023  221.908      3.36625  225.227      4.932    219.014      4.6059   14.9975  0.164427  14.7902  0.155708  
1 1 1 36 16 9  o 4.56231  0.0817426 20.8221      0.745871 20.6082      1.06417  21.0287      1.04572  4.53797  0.117251  4.58412  0.114059  
1 1 1 36 16 10 o 17.6337  0.134584  311.271      4.74642  305.489      6.80505  316.749      6.62352  17.4592  0.194885  17.7797  0.186266  
1 1 1 36 16 11 o 8.01139  0.0818558 64.2092      1.31156  64.5183      2.024    63.9855      1.72202  8.02832  0.126054  7.99617  0.107678  
1 1 1 36 16 12 o 7.01211  0.0791185 49.1908      1.10957  53.0787      1.60106  45.5978      1.53913  7.28246  0.109926  6.74956  0.114017  
1 1 1 36 16 13 o 5.4044   0.0785531 29.2215      0.849065 30.2816      1.19229  28.1306      1.20941  5.50036  0.108383  5.30115  0.114071  
1 1 1 36 16 14 o 3.49831  0.0873588 12.2465      0.611215 13.0959      0.85671  11.366       0.872278 3.61655  0.118443  3.36881  0.129464  
1 1 1 36 16 15 o 8.88168  0.0808617 78.9382      1.43638  78.3317      2.05757  79.5147      2.00609  8.84431  0.116322  8.91124  0.11256   
1 1 1 36 16 16 o 7.17217  0.0802571 51.4776      1.15124  52.5759      1.59224  50.2745      1.66648  7.24595  0.109871  7.08488  0.117608  
1 1 1 36 16 17 o 4.68001  0.0803059 21.9207      0.751666 21.1071      1.05832  22.7489      1.06777  4.59032  0.115278  4.76573  0.112026  
1 1 1 36 16 18 o 1.87965  0.165594  3.54704      0.622519 3.95009      0.847896 3.07573      0.916896 1.98092  0.214016  1.74507  0.262711  
1 1 1 36 16 19 o 5.30947  0.0824201 28.2214      0.875214 28.2056      1.21981  28.2381      1.25648  5.30518  0.114964  5.30789  0.11836   
1 1 1 36 16 20 o 0.827385 0.290716  0.614501     0.597797 0.230821     0.835795 1.01636      0.85537  0.79835  0.327406  1.03086  0.348673  
1 1 1 36 16 21 o 5.46094  0.084339  29.8652      0.921139 28.9258      1.21716  31.1245      1.40922  5.37125  0.113303  5.56987  0.126504  
1 1 1 36 16 22 o 2.3517   0.143882  5.55667      0.676733 4.69373      0.899537 6.68195      1.02721  2.15583  0.208629  2.57329  0.199591  
1 1 1 36 16 23 f 4.46395  0.0926678 19.9728      0.82733  20.3477      1.12896  19.5378      1.21591  4.50144  0.1254    4.40902  0.137889  
1 1 1 36 16 24 o 2.89115  0.125133  8.39802      0.723553 8.57693      0.99369  8.19611      1.05563  2.916    0.170386  2.84829  0.18531   
1 1 1 36 16 25 o 4.14512  0.104216  17.2456      0.863972 17.6192      1.2352   16.8877      1.20891  4.18185  0.147685  4.09414  0.147639  
1 1 1 36 16 26 o 3.94256  0.111228  15.6125      0.877045 16.4061      1.23911  14.8158      1.24155  4.03329  0.153611  3.83101  0.162039  
1 1 1 36 16 27 o 2.48437  0.152832  6.22959      0.759382 6.24508      1.05838  6.21316      1.09018  2.47644  0.213691  2.4686   0.220809  
1 1 1 36 16 28 o 2.25877  0.182519  5.18652      0.824538 5.45978      1.14359  4.89066      1.18994  2.30184  0.248407  2.17164  0.273972  
1 1 1 36 16 29 f 1.78844  0.216361  3.28164      0.773899 4.13824      1.05824  2.29684      1.13467  1.99553  0.265152  1.43144  0.38705   
1 1 1 36 16 30 o 1.34094  0.307033  1.9697       0.806078 1.86774      1.10685  2.08484      1.17624  1.2937   0.393113  1.36025  0.403635  
1 1 1 36 16 31 o 2.1356   0.211546  4.70518      0.903556 3.93496      1.25983  5.521        1.2966   1.8815   0.347888  2.28564  0.283641  
1 1 1 36 16 32 o 1.14953  0.342473  1.47192      0.845638 3.10065      1.19463  -0.163821    1.1972   1.64864  0.371245  0.824037 0.365123  
1 1 1 36 16 33 o 1.33939  0.335063  2.04211      0.896201 2.32428      1.20758  1.69615      1.33714  1.40193  0.406858  1.22882  0.434484  
1 1 1 36 16 34 o 1.31018  0.334854  1.99818      0.880827 3.02567      1.21607  0.864135     1.27756  1.58507  0.386537  1.00822  0.407846  
1 1 1 36 16 35 o 1.128    0.350555  1.50671      0.87355  2.2016       1.25402  0.851644     1.21756  1.31911  0.421564  0.981441 0.397685  
1 1 1 36 16 36 o 2.30683  0.203862  5.6687       0.940549 5.32336      1.28508  6.06712      1.3803   2.16165  0.297245  2.30575  0.299316  
1 1 1 36 16 37 o 0.762831 0.327834  0.302154     0.901452 -0.991486    1.29447  1.52021      1.25609  0.694633 0.332133  1.08118  0.414141  
1 1 1 36 16 38 f 0.837792 0.351216  0.692876     0.991786 0.273318     1.37061  1.15402      1.43694  0.829411 0.377153  0.967673 0.414819  
1 1 1 36 16 39 o 0.965317 0.372144  1.34222      1.0187   0.705939     1.46189  1.94283      1.42032  0.870752 0.39361   1.07234  0.431577  
1 1 1 36 16 40 o 0.523565 0.259006  -1.3355      1.00542  -1.14368     1.45506  -1.51078     1.39088  0.639684 0.315272  0.603752 0.29986   
1 1 1 36 16 41 o 0.904514 0.388914  1.84179      1.26972  3.43473      1.94028  0.648692     1.6792   0.990723 0.450034  0.748883 0.362531  
1 1 1 36 17 0  o 13.5731  0.149944  184.379      4.06929  184.379      4.06929  184.379      4.06929  13.5758  0.105991  ?        ?         
1 1 1 36 17 1  o 12.7434  0.101798  162.463      2.59452  158.57       3.63482  166.506      3.70459  12.5871  0.144386  12.8983  0.143607  
1 1 1 36 17 2  o 6.18422  0.0720462 38.2527      0.891099 38.3924      1.32691  38.1379      1.20264  6.19469  0.107101  6.17437  0.0973898 
1 1 1 36 17 3  o 7.79982  0.0717089 60.8504      1.11863  59.549       1.54252  62.294       1.62465  7.71515  0.0999667 7.89086  0.102945  
1 1 1 36 17 4  o 5.49136  0.0706593 30.1617      0.776032 30.2399      1.14083  30.0944      1.05872  5.49776  0.103754  5.48469  0.0965156 
1 1 1 36 17 5  o 14.5012  0.118359  210.42       3.43268  210.85       4.75105  209.949      4.9651   14.5117  0.163697  14.4798  0.17145   
1 1 1 36 17 6  o 4.94177  0.0808967 24.4288      0.799546 24.8324      1.14833  24.049       1.11391  4.98161  0.115257  4.90245  0.113607  
1 1 1 36 17 7  f 5.83632  0.0773124 34.073       0.90244  34.9395      1.31077  33.2922      1.24431  5.90911  0.110911  5.76823  0.107859  
1 1 1 36 17 8  f 5.85492  0.076149  34.2909      0.891692 35.0429      1.28033  33.5826      1.2426   5.91783  0.108176  5.79325  0.107245  
1 1 1 36 17 9  o 1.96761  0.162906  3.87745      0.641072 3.43792      0.918322 4.29525      0.895339 1.85086  0.24808   2.06969  0.216298  
1 1 1 36 17 10 o 7.9927   0.0861177 63.9128      1.37663  64.8979      1.92914  62.8906      1.96504  8.05229  0.119788  7.92652  0.123954  
1 1 1 36 17 11 o 10.4853  0.0918468 110.004      1.92608  108.835      2.73989  111.146      2.70816  10.4262  0.131395  10.5366  0.128512  
1 1 1 36 17 12 o 7.17866  0.0763199 51.5558      1.09575  52.6269      1.63094  50.6745      1.47937  7.25093  0.112464  7.11566  0.103952  
1 1 1 36 17 13 o 5.94496  0.0733117 35.3589      0.87167  36.2246      1.28305  34.6169      1.1879   6.01572  0.106641  5.881    0.100995  
1 1 1 36 17 14 o 0.871029 0.274819  0.754746     0.534193 0.65064      0.732577 0.87296      0.780638 0.884559 0.320705  0.97148  0.33308   
1 1 1 36 17 15 o 1.8604   0.149791  3.46968      0.557345 4.39715      0.76537  2.42264      0.813214 2.09308  0.182834  1.52671  0.276489  
1 1 1 36 17 16 o 4.66238  0.0804691 21.755       0.750355 21.3646      1.01099  22.2339      1.11963  4.61878  0.109443  4.71119  0.118827  
1 1 1 36 17 17 o 2.27104  0.131901  5.1701       0.599106 4.24871      0.819933 6.22547      0.877524 2.05555  0.199444  2.48971  0.17623   
1 1 1 36 17 18 o 1.24792  0.253933  1.62877      0.611767 1.93953      0.837173 1.27265      0.896177 1.35586  0.314548  1.12416  0.356084  
1 1 1 36 17 19 o 4.96388  0.0839526 24.6704      0.833461 24.6584      1.16266  24.6831      1.19541  4.95974  0.117209  4.96188  0.120459  
1 1 1 36 17 20 o 4.6433   0.0845996 21.5906      0.785642 21.8606      1.08031  21.2875      1.1446   4.66939  0.11568   4.60686  0.124228  
1 1 1 36 17 21 o 1.86229  0.173258  3.49039      0.645314 3.84649      0.864636 3.0426       0.969575 1.95111  0.221575  1.72996  0.280231  
1 1 1 36 17 22 o 3.94431  0.0974574 15.5938      0.768804 13.891       1.03058  17.7306      1.15443  3.71832  0.138582  4.20106  0.137398  
1 1 1 36 17 23 o 2.99677  0.123259  9.01932      0.738756 8.45511      0.990907 9.72533      1.10847  2.89586  0.17109   3.10465  0.178517  
1 1 1 36 17 24 o 4.58822  0.0926016 21.1087      0.849754 20.2778      1.16424  22.0559      1.24309  4.49112  0.129616  4.68328  0.132716  
1 1 1 36 17 25 o 4.02933  0.107638  16.3035      0.867418 16.0324      1.20635  16.5937      1.24814  3.98751  0.151267  4.05614  0.153858  
1 1 1 36 17 26 o 6.3983   0.0897063 41.0623      1.14794  40.4807      1.5888   41.6976      1.66042  6.34364  0.125228  6.43713  0.128972  
1 1 1 36 17 27 o 2.07506  0.181216  4.36396      0.75207  3.97372      1.06291  4.7552       1.06426  1.96378  0.270629  2.15351  0.2471    
1 1 1 36 17 28 o 4.65023  0.107495  21.751       0.999748 22.3317      1.39405  21.1361      1.43453  4.69959  0.148316  4.56904  0.156984  
1 1 1 36 17 29 o 3.47392  0.123865  12.1751      0.860596 11.7705      1.18018  12.6344      1.25764  3.40129  0.17349   3.52212  0.178534  
1 1 1 36 17 30 o 1.90162  0.222362  3.72996      0.845697 4.34832      1.15351  3.01129      1.24355  2.03341  0.283639  1.62949  0.386848  
1 1 1 36 17 31 o 0.703204 0.309213  -0.107259    0.838769 -1.02481     1.17116  0.858979     1.20183  0.696872 0.327216  1.02273  0.402048  
1 1 1 36 17 32 o 1.73934  0.264347  3.19263      0.919583 2.83765      1.19174  3.71503      1.44572  1.56756  0.38289   1.78142  0.413405  
1 1 1 36 17 33 f 1.08603  0.348218  1.31796      0.855105 2.93461      1.18977  -0.4094      1.22983  1.58278  0.38007   0.788887 0.358334  
1 1 1 36 17 34 o 1.26604  0.342125  1.88769      0.886877 2.18226      1.23456  1.57357      1.27488  1.3262   0.417666  1.1638   0.42296   
1 1 1 36 17 35 o 2.79387  0.172955  8.11871      0.96643  7.95635      1.31571  8.30896      1.4242   2.71544  0.242265  2.76155  0.257864  
1 1 1 36 17 36 o 0.989012 0.355131  1.15354      0.896395 1.57631      1.24023  0.691128     1.29707  1.11267  0.415279  0.932204 0.39668   
1 1 1 36 17 37 o 0.698273 0.3099    0.0340746    0.867148 -0.105349    1.21139  0.180598     1.24185  0.772653 0.352205  0.820612 0.367191  
1 1 1 36 17 38 f 0.899489 0.362681  1.00516      1.00566  0.186012     1.36739  1.9703       1.48424  0.807986 0.370519  1.09872  0.441601  
1 1 1 36 17 39 o 0.754855 0.333755  0.443046     0.993148 0.107368     1.43373  0.752702     1.37703  0.777412 0.364492  0.849954 0.383228  
1 1 1 36 17 40 o 0.769153 0.339348  0.720607     1.01928  0.295383     1.49931  1.08601      1.38986  0.75707  0.360899  0.839567 0.381243  
1 1 1 36 17 41 o 0.597689 0.29285   -0.514752    1.185    -2.14193     1.71505  0.971715     1.63921  0.582063 0.294638  0.749328 0.361955  
1 1 1 36 18 0  o 7.24046  0.0986743 52.4649      1.4283   52.4649      1.4283   52.4649      1.4283   7.24186  0.0697451 ?        ?         
1 1 1 36 18 1  o 7.88421  0.0714875 62.1752      1.12724  63.398       1.65295  61.1121      1.54124  7.96032  0.103824  7.81568  0.0985991 
1 1 1 36 18 2  o 8.46246  0.0753013 71.6319      1.27447  71.4591      1.81393  71.8004      1.79103  8.45109  0.107319  8.47131  0.105711  
1 1 1 36 18 3  o 12.1612  0.096031  147.96       2.33571  145.797      3.29398  150.147      3.31249  12.0693  0.136461  12.2482  0.135224  
1 1 1 36 18 4  o 7.15007  0.0790365 51.1389      1.13023  49.6336      1.59249  52.6668      1.60436  7.04292  0.113056  7.25503  0.110569  
1 1 1 36 18 5  o 2.6266   0.122665  6.90425      0.644386 7.41673      0.967541 6.49573      0.863847 2.7212   0.177778  2.54683  0.169593  
1 1 1 36 18 6  o 14.5103  0.114582  210.695      3.32522  211.605      4.68787  209.773      4.71743  14.5367  0.161243  14.4734  0.162969  
1 1 1 36 18 7  o 5.8816   0.0760886 34.6044      0.895046 35.9373      1.28209  33.3373      1.25008  5.99286  0.106968  5.77196  0.108289  
1 1 1 36 18 8  o 6.61247  0.0765563 43.7399      1.01245  42.3143      1.42984  45.1735      1.43382  6.50261  0.109944  6.71886  0.106701  
1 1 1 36 18 9  o 10.728   0.09391   115.153      2.01492  111.519      2.76852  119.246      2.9381   10.5544  0.131154  10.9137  0.134606  
1 1 1 36 18 10 o 9.15206  0.0879052 83.8045      1.60903  82.5035      2.29317  85.0661      2.25825  9.07813  0.126302  9.21834  0.122487  
1 1 1 36 18 11 o 4.53912  0.0895459 20.616       0.812919 21.4097      1.14027  19.7957      1.15925  4.62439  0.123288  4.44636  0.130359  
1 1 1 36 18 12 o 3.09331  0.0917236 9.57542      0.567459 10.2185      0.945111 9.2129       0.7096   3.19365  0.147967  3.0335   0.116961  
1 1 1 36 18 13 o 2.1231   0.12482   4.51452      0.530012 5.15994      0.785074 3.974        0.718449 2.26821  0.17306   1.9903   0.180488  
1 1 1 36 18 14 o 2.13782  0.131017  4.57879      0.560183 3.63823      0.79638  5.49996      0.788121 1.90291  0.209253  2.34161  0.168286  
1 1 1 36 18 15 o 8.1247   0.0781691 66.0585      1.2702   65.4027      1.79137  66.7217      1.80134  8.0813   0.110834  8.16244  0.110344  
1 1 1 36 18 16 o 5.73385  0.0762509 32.9028      0.874423 32.7612      1.21469  33.0551      1.25979  5.71941  0.10619   5.74471  0.109648  
1 1 1 36 18 17 o 7.21994  0.0801663 52.1768      1.15759  53.382       1.59106  50.8214      1.68735  7.29987  0.108979  7.1215   0.118468  
1 1 1 36 18 18 o 7.43185  0.0851928 55.2986      1.26628  57.1228      1.91242  53.8745      1.68976  7.54788  0.126686  7.33182  0.115235  
1 1 1 36 18 19 o 5.27991  0.0803353 27.911       0.848325 27.8355      1.21149  27.9836      1.18827  5.26943  0.114954  5.28371  0.112447  
1 1 1 36 18 20 o 1.90868  0.175414  3.6661       0.66962  3.52509      0.88821  3.85177      1.01922  1.86676  0.237901  1.94903  0.261469  
1 1 1 36 18 21 o 3.19642  0.106865  10.2438      0.68317  11.4065      0.960599 9.05381      0.971796 3.36955  0.142541  2.99999  0.161966  
1 1 1 36 18 22 o 3.50493  0.108452  12.323       0.760231 12.8253      1.01612  11.6844      1.14578  3.5717   0.142246  3.40552  0.168225  
1 1 1 36 18 23 o 5.85696  0.0856621 34.3789      1.00344  34.1426      1.37549  34.6478      1.4671   5.83117  0.117942  5.87269  0.124908  
1 1 1 36 18 24 o 0.969446 0.304468  0.964279     0.65665  1.23674      0.90569  0.662332     0.953437 1.10162  0.358782  0.94108  0.360717  
1 1 1 36 18 25 o 3.73849  0.112041  14.0392      0.837728 13.3346      1.17674  14.7632      1.19288  3.63447  0.161886  3.82552  0.15591   
1 1 1 36 18 26 o 2.83593  0.133052  8.0989       0.754652 7.50903      1.02172  8.807        1.11944  2.72129  0.187726  2.94664  0.189953  
1 1 1 36 18 27 o 1.65876  0.225214  2.81679      0.74715  2.26766      1.04378  3.39383      1.06997  1.43514  0.363164  1.80559  0.296293  
1 1 1 36 18 28 o 3.13883  0.137255  9.95071      0.861637 10.4269      1.18018  9.40711      1.2609   3.20025  0.184388  3.03242  0.207904  
1 1 1 36 18 29 o 0.778637 0.315576  0.324277     0.766923 -0.259628    1.05129  0.988504     1.12127  0.765302 0.340263  1.04931  0.39422   
1 1 1 36 18 30 o 4.17591  0.117561  17.5995      0.98185  15.9548      1.30303  19.7601      1.49346  3.95856  0.164584  4.40299  0.169596  
1 1 1 36 18 31 o 1.34744  0.313393  2.01884      0.829367 2.86199      1.15693  1.12746      1.18955  1.58348  0.37135   1.08324  0.406228  
1 1 1 36 18 32 o 2.37562  0.196871  5.83265      0.935381 7.27671      1.26556  4.09402      1.38865  2.63284  0.240341  1.88397  0.381862  
1 1 1 36 18 33 o 0.743327 0.322464  0.0513728    0.887727 0.203516     1.16306  -0.16097     1.37402  0.860821 0.371203  0.862544 0.386089  
1 1 1 36 18 34 o 1.81784  0.249832  3.55792      0.908309 2.82889      1.28532  4.28519      1.28377  1.50151  0.414609  1.91421  0.348192  
1 1 1 36 18 35 o 0.598329 0.281296  -0.700934    0.871774 0.599858     1.18543  -2.23301     1.28651  0.913203 0.383455  0.603567 0.297247  
1 1 1 36 18 36 o 0.977554 0.351374  1.14471      0.877726 1.57588      1.23121  0.69913      1.25162  1.10101  0.413203  0.917117 0.389947  
1 1 1 36 18 37 o 0.986657 0.356488  1.23978      0.904493 1.32901      1.27014  1.14797      1.28835  1.01639  0.40851   0.981009 0.405067  
1 1 1 36 18 38 o 0.521958 0.257222  -1.50667     0.967881 -2.55016     1.36628  -0.455467    1.37131  0.570925 0.285426  0.730094 0.346761  
1 1 1 36 18 39 o 0.711091 0.323267  0.277799     1.00552  0.489061     1.48177  0.0974793    1.36897  0.800054 0.374139  0.745398 0.351038  
1 1 1 36 18 40 o 0.517608 0.256883  -1.42433     1.01114  -3.29828     1.49137  0.169899     1.37557  0.533839 0.271177  0.733477 0.347861  
1 1 1 36 19 0  o 0.745865 0.390128  0.817079     0.755491 0.817079     0.755491 0.817079     0.755491 0.750434 0.336213  ?        ?         
1 1 1 36 19 1  o 9.60427  0.0769612 92.2694      1.47831  92.6442      2.11808  91.9133      2.06426  9.62226  0.110061  9.58436  0.107689  
1 1 1 36 19 2  o 16.0906  0.120533  259.099      3.87891  262.402      5.6185   256.091      5.36172  16.1865  0.173556  15.9914  0.167643  
1 1 1 36 19 3  o 4.19544  0.0749455 17.6068      0.628858 16.9648      0.819814 18.5246      0.980204 4.11778  0.0995455 4.30257  0.113909  
1 1 1 36 19 4  o 6.07185  0.0772903 36.8791      0.938589 35.1573      1.29158  38.8059      1.3663   5.92749  0.108948  6.22744  0.1097    
1 1 1 36 19 5  o 5.4584   0.0764204 29.8038      0.834266 29.6605      1.22149  29.929       1.14216  5.44426  0.112181  5.46909  0.10442   
1 1 1 36 19 6  o 9.41621  0.084099  88.7013      1.58379  89.493       2.30289  87.9908      2.18166  9.45602  0.121768  9.37667  0.116334  
1 1 1 36 19 7  o 17.4083  0.132408  303.371      4.60999  312.65       6.69725  295.016      6.35522  17.6625  0.18959   17.158   0.185197  
1 1 1 36 19 8  o 8.64848  0.0844153 74.8307      1.46013  74.9392      2.07183  74.7235      2.0581   8.65269  0.119722  8.64027  0.119099  
1 1 1 36 19 9  o 1.63793  0.200235  2.69028      0.655941 2.79289      0.929479 2.58848      0.925813 1.6414   0.293754  1.57769  0.304267  
1 1 1 36 19 10 o 6.41231  0.0796734 41.1375      1.02178  42.5561      1.53997  40.0218      1.36571  6.52002  0.118095  6.32345  0.107987  
1 1 1 36 19 11 o 6.98958  0.0802728 48.8809      1.12215  49.5571      1.61607  48.2513      1.55936  7.03573  0.114848  6.94259  0.112304  
1 1 1 36 19 12 o 8.47897  0.0865562 71.9454      1.46781  73.6588      2.13462  70.4087      2.02159  8.57603  0.124453  8.38508  0.120547  
1 1 1 36 19 13 o 1.94763  0.127577  3.79989      0.496946 3.6884       0.729962 3.89619      0.678439 1.91682  0.19041   1.97076  0.172126  
1 1 1 36 19 14 o 6.5289   0.0738309 42.6533      0.964069 40.7014      1.32259  44.8663      1.40823  6.37579  0.10372   6.69394  0.105187  
1 1 1 36 19 15 f 2.32857  0.122255  5.43273      0.56936  5.87508      0.809301 4.99924      0.801154 2.41946  0.167248  2.23123  0.179532  
1 1 1 36 19 16 o 4.08334  0.0855312 16.6911      0.698505 16.9228      0.99828  16.4688      0.977712 4.10937  0.121464  4.05394  0.120588  
1 1 1 36 19 17 f 3.26754  0.103455  10.6949      0.676087 10.5604      0.915468 10.8562      1.00274  3.24453  0.141079  3.28878  0.152449  
1 1 1 36 19 18 f 1.44493  0.215208  2.1051       0.621922 0.793386     0.89423  3.33397      0.865533 0.971348 0.354114  1.81669  0.238217  
1 1 1 36 19 19 o 3.27615  0.10572   10.7571      0.692707 11.8629      0.946791 9.48331      1.01615  3.43779  0.137703  3.07117  0.165434  
1 1 1 36 19 20 o 3.83496  0.0949526 14.7355      0.728278 14.003       1.00541  15.5441      1.05636  3.73481  0.1346    3.93501  0.134225  
1 1 1 36 19 21 o 1.77977  0.178238  3.1924       0.634446 3.33724      0.862722 3.02182      0.936267 1.81423  0.237765  1.72275  0.271736  
1 1 1 36 19 22 o 1.78257  0.186637  3.20892      0.665389 3.09323      0.890332 3.3553       1.00144  1.74285  0.255424  1.81241  0.276273  
1 1 1 36 19 23 o 1.67828  0.194062  2.84983      0.65138  2.64451      0.889551 3.0872       0.956466 1.58151  0.292225  1.7364   0.275417  
1 1 1 36 19 24 o 4.42248  0.0977532 19.6256      0.864623 20.0243      1.2192   19.2221      1.22636  4.45982  0.136687  4.36877  0.140355  
1 1 1 36 19 25 o 2.24011  0.16514   5.06868      0.739864 4.66187      1.01057  5.53863      1.08616  2.13701  0.236445  2.32999  0.233084  
1 1 1 36 19 26 f 1.67594  0.206089  2.85678      0.690788 3.39839      0.937948 2.21476      1.0212   1.81906  0.257811  1.42431  0.358489  
1 1 1 36 19 27 o 2.53588  0.155304  6.50846      0.787663 5.97193      1.13545  7.00615      1.09358  2.4106   0.235512  2.61856  0.208813  
1 1 1 36 19 28 o 2.68859  0.156908  7.32969      0.843723 7.65431      1.14406  6.94261      1.24928  2.73265  0.209331  2.59224  0.240966  
1 1 1 36 19 29 o 2.24629  0.178458  5.14509      0.801737 5.12938      1.09769  5.16306      1.17378  2.22296  0.246899  2.22447  0.263834  
1 1 1 36 19 30 o 3.5916   0.129138  13.054       0.92762  13.4783      1.24847  12.5312      1.38599  3.63306  0.171821  3.49101  0.198508  
1 1 1 36 19 31 o 1.196    0.341787  1.60526      0.858653 1.40963      1.18986  1.81784      1.24035  1.1539   0.409671  1.26809  0.419868  
1 1 1 36 19 32 o 1.51105  0.308803  2.54646      0.900988 1.71284      1.25015  3.44741      1.29967  1.22807  0.421463  1.71931  0.387267  
1 1 1 36 19 33 o 1.24786  0.338335  1.81527      0.865554 1.82939      1.14933  1.79676      1.3156   1.23591  0.40417   1.22786  0.43129   
1 1 1 36 19 34 o 0.676732 0.304808  -0.217515    0.868863 -0.07553     1.24325  -0.353066    1.21476  0.822484 0.36773   0.774399 0.352919  
1 1 1 36 19 35 o 0.585773 0.276284  -0.723246    0.854248 -0.144232    1.20853  -1.30142     1.20765  0.78723  0.35676   0.650642 0.313422  
1 1 1 36 19 36 o 0.576122 0.274018  -0.751284    0.859012 -1.71929     1.21808  0.206462     1.2116   0.607677 0.297548  0.823215 0.365711  
1 1 1 36 19 37 o 1.11234  0.362756  1.69504      0.92586  1.22912      1.30393  2.1688       1.31487  0.98115  0.406459  1.18653  0.429707  
1 1 1 36 19 38 o 1.07405  0.376822  1.71911      1.00404  1.52411      1.43784  1.90469      1.40267  0.99962  0.421145  1.07266  0.430055  
1 1 1 36 19 39 o 0.840004 0.350123  1.03967      0.976779 0.0207703    1.40393  1.99562      1.35987  0.730813 0.348584  1.00216  0.415119  
1 1 1 36 19 40 f 1.34002  0.380788  3.08088      1.06871  1.26101      1.57801  4.62286      1.45255  0.838136 0.389672  1.51503  0.448333  
1 1 1 36 20 0  o 14.9398  0.166504  223.451      4.97369  223.451      4.97369  223.451      4.97369  14.944   0.117686  ?        ?         
1 1 1 36 20 1  o 14.7103  0.111699  216.544      3.28625  217.647      4.72597  215.511      4.57274  14.7424  0.160285  14.6705  0.155848  
1 1 1 36 20 2  o 14.7894  0.112302  218.882      3.32176  214.557      4.67905  223.276      4.71653  14.6373  0.159833  14.932   0.157933  
1 1 1 36 20 3  o 4.75036  0.0717263 22.5726      0.681452 23.0793      0.92402  21.9683      1.00902  4.80283  0.0961954 4.68549  0.107675  
1 1 1 36 20 4  o 11.1216  0.0934064 123.754      2.07766  122.784      2.8215   124.902      3.07082  11.0755  0.127375  11.1698  0.137461  
1 1 1 36 20 5  o 11.4588  0.0936668 131.375      2.14663  128.304      3.02044  134.509      3.05138  11.321   0.1334    11.5917  0.131619  
1 1 1 36 20 6  o 2.13838  0.145124  4.57875      0.62066  5.25379      0.87899  3.9075       0.876508 2.28942  0.191968  1.97363  0.222055  
1 1 1 36 20 7  o 1.67175  0.194952  2.80185      0.651823 3.40301      1.00017  2.35799      0.859398 1.84013  0.271765  1.50557  0.295953  
1 1 1 36 20 8  o 9.34631  0.093534  87.4081      1.7484   88.9564      2.61219  86.1516      2.35325  9.42513  0.138576  9.2764   0.126841  
1 1 1 36 20 9  o 2.65725  0.12218   7.06912      0.649324 6.55946      0.930084 7.5537       0.906919 2.55784  0.18181   2.74548  0.165166  
1 1 1 36 20 10 o 0.87185  0.298335  0.700873     0.62622  -0.529176    0.924752 1.74266      0.851049 0.687818 0.311873  1.28939  0.32891   
1 1 1 36 20 11 o 10.9127  0.0998588 119.203      2.17946  116.239      3.08989  122.138      3.0746   10.7707  0.14344   11.0412  0.139233  
1 1 1 36 20 12 o 6.46371  0.0797722 41.8079      1.03125  44.8335      1.46778  38.8584      1.44921  6.69151  0.109675  6.22918  0.116324  
1 1 1 36 20 13 o 10.9477  0.0883154 119.96       1.93371  121.896      2.77589  118.134      2.69525  11.0307  0.125826  10.8594  0.124097  
1 1 1 36 20 14 o 3.79043  0.0810655 14.3793      0.614547 14.79        0.882168 13.9921      0.856597 3.84257  0.114789  3.73749  0.114595  
1 1 1 36 20 15 o 4.91099  0.075666  24.1372      0.743189 24.0005      1.05425  24.2721      1.04784  4.89504  0.107685  4.92275  0.106428  
1 1 1 36 20 16 o 2.43143  0.123618  5.9256       0.601136 5.15126      0.839786 6.73933      0.860876 2.26364  0.185495  2.59051  0.166159  
1 1 1 36 20 17 o 8.73907  0.0820073 76.4595      1.43333  76.2031      1.96577  76.7506      2.09442  8.71986  0.112718  8.74991  0.119682  
1 1 1 36 20 18 o 4.16507  0.0903194 17.3749      0.752373 16.4685      1.03228  18.4021      1.09887  4.05184  0.127384  4.28302  0.128283  
1 1 1 36 20 19 o 7.26153  0.0820059 52.8035      1.19098  52.4465      1.64235  53.1995      1.72963  7.23237  0.113541  7.28319  0.118741  
1 1 1 36 20 20 o 3.12505  0.108747  9.79271      0.679676 9.46283      0.968722 10.1126      0.953863 3.06733  0.15791   3.17173  0.150369  
1 1 1 36 20 21 o 1.75321  0.186481  3.10248      0.653879 2.07494      0.897028 4.26749      0.955156 1.39376  0.327073  2.05101  0.23285   
1 1 1 36 20 22 o 2.19389  0.155508  4.84785      0.682336 5.26537      0.900366 4.28452      1.04583  2.28151  0.197318  2.05023  0.25505   
1 1 1 36 20 23 o 0.998116 0.299649  1.03872      0.645708 0.38748      0.912702 1.69129      0.913637 0.858324 0.345748  1.25548  0.350579  
1 1 1 36 20 24 o 1.89691  0.188038  3.64391      0.713383 4.19545      1.00947  3.09367      1.00828  2.02565  0.249172  1.70614  0.306639  
1 1 1 36 20 25 o 3.09063  0.122729  9.60879      0.758619 9.0041       1.04189  10.2911      1.10674  2.98278  0.174651  3.18908  0.173521  
1 1 1 36 20 26 o 1.30631  0.274821  1.8262       0.695351 1.88489      0.952581 1.75927      1.01736  1.31346  0.354407  1.27279  0.374754  
1 1 1 36 20 27 o 1.87365  0.205113  3.58661      0.768617 3.71748      1.05356  3.4377       1.12382  1.89058  0.278634  1.78117  0.327745  
1 1 1 36 20 28 o 2.82165  0.150342  8.06705      0.848426 8.21145      1.14323  7.89001      1.26583  2.83195  0.201845  2.76681  0.228753  
1 1 1 36 20 29 o 2.07161  0.194708  4.3971       0.806718 5.04813      1.10787  3.66229      1.17701  2.20178  0.251585  1.82463  0.335052  
1 1 1 36 20 30 o 3.35596  0.135388  11.4171      0.908715 11.554       1.21783  11.2451      1.36496  3.35811  0.181326  3.30107  0.206745  
1 1 1 36 20 31 o 2.94781  0.159974  8.86866      0.943146 9.41686      1.31313  8.2845       1.3555   3.01162  0.21801   2.81332  0.240908  
1 1 1 36 20 32 o 1.35494  0.327478  2.09106      0.878869 1.21962      1.19365  3.12283      1.29882  1.09093  0.407358  1.61972  0.402258  
1 1 1 36 20 33 o 0.698612 0.309163  -0.0858736   0.854764 0.936194     1.19757  -1.14726     1.22039  1.00471  0.39931   0.683958 0.325925  
1 1 1 36 20 34 o 0.655324 0.297543  -0.277298    0.846012 -0.924587    1.19753  0.367649     1.19536  0.693975 0.32726   0.878318 0.377491  
1 1 1 36 20 35 o 0.957503 0.345425  1.05504      0.848937 1.47897      1.19049  0.616438     1.21093  1.08978  0.406841  0.904977 0.384129  
1 1 1 36 20 36 o 1.34168  0.328724  2.24499      0.876348 1.02908      1.26137  3.37953      1.21843  0.972554 0.401095  1.59875  0.385073  
1 1 1 36 20 37 o 0.592177 0.282733  -0.695884    0.929383 0.105734     1.32565  -1.47072     1.30332  0.793756 0.36434   0.630593 0.308538  
1 1 1 36 20 38 o 0.691122 0.315729  0.017853     0.982431 1.65685      1.43506  -1.42785     1.34778  1.00865  0.422641  0.631676 0.3104    
1 1 1 36 20 39 f 0.772131 0.337676  0.75931      0.989143 -0.0276249   1.43941  1.46342      1.36155  0.719177 0.345393  0.891607 0.392942  
1 1 1 36 20 40 o 0.612396 0.292521  -0.0604932   0.99777  -0.396418    1.47721  0.221343     1.35307  0.645479 0.318017  0.679754 0.328434  
1 1 1 36 21 0  o 6.40298  0.10301   41.0431      1.31837  41.0431      1.31837  41.0431      1.31837  6.40474  0.0727976 ?        ?         
1 1 1 36 21 1  o 16.43    0.124907  270.201      4.10445  269.594      5.79671  270.811      5.81247  16.4037  0.176689  16.4407  0.17677   
1 1 1 36 21 2  o 7.13443  0.0741986 50.9172      1.05873  49.6606      1.47196  52.2641      1.52393  7.04466  0.104474  7.22692  0.105434  
1 1 1 36 21 3  o 7.10294  0.0709274 50.4676      1.00759  50.9366      1.40525  49.9713      1.44548  7.13481  0.0984787 7.06671  0.102274  
1 1 1 36 21 4  o 10.7542  0.0948616 115.72       2.04032  115.3        2.87873  116.144      2.89222  10.7315  0.134125  10.7707  0.134263  
1 1 1 36 21 5  o 16.2654  0.131266  264.867      4.27017  255.17       6.00843  274.762      6.06991  15.9549  0.188294  16.5572  0.183302  
1 1 1 36 21 6  o 8.90549  0.08871   79.3515      1.58001  80.1542      2.28518  78.6162      2.187    8.94772  0.127696  8.8618   0.123395  
1 1 1 36 21 7  o 5.9635   0.0799184 35.5802      0.953187 35.2962      1.38476  35.8359      1.31404  5.93803  0.116601  5.9836   0.109803  
1 1 1 36 21 8  o 2.63178  0.12103   6.93436      0.637046 7.72773      0.918299 6.19834      0.88449  2.77682  0.165351  2.48647  0.17786   
1 1 1 36 21 9  o 13.1308  0.105939  172.588      2.78212  171.136      4.02972  173.911      3.84574  13.0682  0.154181  13.1751  0.145947  
1 1 1 36 21 10 o 4.21783  0.0897055 17.8043      0.756725 18.463       1.11928  17.2498      1.02701  4.29326  0.130353  4.15016  0.123731  
1 1 1 36 21 11 o 4.11581  0.0866268 16.9535      0.713079 16.5454      1.05066  17.302       0.970942 4.06399  0.129265  4.15655  0.116797  
1 1 1 36 21 12 o 5.97292  0.0760158 35.6991      0.908072 35.8405      1.24433  35.538       1.32819  5.98301  0.103988  5.95717  0.111478  
1 1 1 36 21 13 o 7.52412  0.0801115 56.6577      1.20554  57.9221      1.63881  55.1667      1.77967  7.60514  0.107743  7.42076  0.119911  
1 1 1 36 21 14 o 2.38113  0.111203  5.6795       0.529577 5.8518       0.782231 5.53371      0.719559 2.41466  0.161975  2.34857  0.153191  
1 1 1 36 21 15 o 4.81392  0.0789983 23.1954      0.760583 23.6937      1.10384  22.7449      1.04947  4.8629   0.113496  4.76481  0.110127  
1 1 1 36 21 16 o 4.47848  0.0837461 20.0801      0.750111 18.1954      1.00616  22.4383      1.12547  4.26064  0.118076  4.73131  0.118938  
1 1 1 36 21 17 o 5.34102  0.0785515 28.5591      0.839091 30.0203      1.19407  27.1337      1.17938  5.47304  0.109086  5.2028   0.11334   
1 1 1 36 21 18 o 1.36882  0.221109  1.89225      0.605317 1.93437      0.824299 1.84296      0.891771 1.35154  0.311182  1.31747  0.337052  
1 1 1 36 21 19 o 3.41903  0.0985929 11.7149      0.674184 11.0222      0.96138  12.3851      0.945693 3.31231  0.145122  3.51226  0.134628  
1 1 1 36 21 20 o 1.64114  0.191194  2.71814      0.627551 3.99935      0.924123 1.6217       0.854896 1.98639  0.232614  1.23554  0.336805  
1 1 1 36 21 21 o 0.898809 0.301547  0.783541     0.639773 1.51915      0.876059 -0.0571019   0.936515 1.19809  0.346163  0.771098 0.332811  
1 1 1 36 21 22 o 2.94305  0.122104  8.70217      0.718719 9.09846      0.988858 8.25839      1.04643  3.00349  0.164618  2.85861  0.183031  
1 1 1 36 21 23 o 2.35344  0.152099  5.58475      0.715913 5.37241      1.04081  5.77543      0.986295 2.29664  0.226594  2.38486  0.206782  
1 1 1 36 21 24 o 2.04251  0.186159  4.22496      0.760467 2.68547      1.0858   5.70717      1.06541  1.57375  0.353621  2.36688  0.225066  
1 1 1 36 21 25 o 3.96723  0.104934  15.8084      0.832593 15.0808      1.14735  16.6177      1.21008  3.86621  0.148382  4.05828  0.149088  
1 1 1 36 21 26 o 3.57662  0.112486  12.873       0.804642 12.7508      1.14171  12.9935      1.13419  3.54813  0.160889  3.58247  0.158298  
1 1 1 36 21 27 o 1.94393  0.206945  3.86882      0.804573 2.94289      1.12794  4.82797      1.148    1.63081  0.355678  2.15501  0.266357  
1 1 1 36 21 28 o 1.9133   0.202696  3.75203      0.775636 3.96128      1.08551  3.53375      1.10869  1.94458  0.279111  1.82923  0.303048  
1 1 1 36 21 29 o 2.23145  0.18526   5.09733      0.826794 5.10354      1.12737  5.09011      1.21621  2.21003  0.255057  2.19884  0.276556  
1 1 1 36 21 30 o 0.882674 0.335685  0.664125     0.820393 2.21427      1.09412  -1.32674     1.23993  1.38827  0.382175  0.688571 0.328235  
1 1 1 36 21 31 o 0.673182 0.303427  -0.296457    0.862556 -0.678723    1.17763  0.145987     1.26694  0.73725  0.3404    0.88969  0.385584  
1 1 1 36 21 32 f 0.877389 0.342317  0.653177     0.867318 0.79248      1.18454  0.492186     1.27342  0.982023 0.394586  0.941407 0.396463  
1 1 1 36 21 33 o 1.67862  0.259927  3.05227      0.87264  4.13199      1.22984  1.95744      1.23841  1.8859   0.338333  1.25754  0.41954   
1 1 1 36 21 34 o 0.662487 0.301659  -0.302436    0.883392 -1.04151     1.16582  0.694118     1.35375  0.666813 0.317961  0.962633 0.40725   
1 1 1 36 21 35 o 0.542483 0.261749  -1.01648     0.850788 -0.690341    1.21573  -1.3295      1.19104  0.7063   0.332095  0.633265 0.306346  
1 1 1 36 21 36 o 0.640254 0.294506  -0.28458     0.871283 -0.267942    1.25267  -0.300172    1.21266  0.753483 0.349109  0.739431 0.342939  
1 1 1 36 21 37 o 0.64717  0.301436  -0.282117    0.949778 -0.140923    1.3795   -0.409362    1.3096   0.765468 0.358648  0.722632 0.341201  
1 1 1 36 21 38 f 0.637598 0.299344  -0.221349    0.978948 0.210817     1.45043  -0.582929    1.32671  0.772447 0.363063  0.676138 0.326392  
1 1 1 36 21 39 o 0.64963  0.30475   -0.0732028   1.00734  -0.0792264   1.47814  -0.0679794   1.37647  0.724618 0.348492  0.712716 0.341189  
1 1 1 36 22 0  o 12.3272  0.147283  152.134      3.62998  152.134      3.62998  152.134      3.62998  12.3307  0.104098  ?        ?         
1 1 1 36 22 1  f 9.94067  0.0806004 98.8598      1.60244  98.9976      2.24937  98.7179      2.28341  9.94545  0.113085  9.93124  0.114961  
1 1 1 36 22 2  o 3.95158  0.0757016 15.6211      0.598282 14.1539      0.816839 17.319       0.878746 3.76065  0.108603  4.16002  0.105618  
1 1 1 36 22 3  o 6.88974  0.067988  47.4837      0.936839 47.397       1.31963  47.5717      1.33022  6.88233  0.0958706 6.89498  0.0964628 
1 1 1 36 22 4  o 6.08423  0.0775105 37.0338      0.943184 35.9103      1.29281  38.3122      1.3791   5.99     0.107914  6.18691  0.111453  
1 1 1 36 22 5  o 1.05675  0.280996  1.163        0.604309 2.13621      0.89959  0.362667     0.815788 1.42789  0.322587  0.829156 0.32956   
1 1 1 36 22 6  o 6.00883  0.0783532 36.1234      0.941623 36.9647      1.3384   35.2988      1.32501  6.07695  0.110121  5.93836  0.111564  
1 1 1 36 22 7  o 6.16214  0.075806  37.9904      0.934255 38.0148      1.31285  37.9654      1.32979  6.16265  0.106516  6.15857  0.107963  
1 1 1 36 22 8  o 5.28861  0.0758039 27.9842      0.801795 28.2787      1.15447  27.7098      1.11441  5.31489  0.108607  5.26129  0.105906  
1 1 1 36 22 9  o 12.6215  0.102381  159.473      2.5844   157.633      3.71233  161.204      3.60006  12.5413  0.148005  12.6836  0.141918  
1 1 1 36 22 10 o 3.33228  0.0957094 11.1151      0.637862 11.1305      0.922236 11.1009      0.883177 3.33282  0.138357  3.32866  0.132663  
1 1 1 36 22 11 f 2.93766  0.105506  8.64075      0.619882 7.99973      0.876729 9.28153      0.876562 2.82449  0.155201  3.04296  0.144031  
1 1 1 36 22 12 f 3.02345  0.104357  9.15362      0.631033 8.69729      0.882367 9.63134      0.902816 2.945    0.149808  3.09934  0.145646  
1 1 1 36 22 13 o 6.72364  0.077831  45.2449      1.04662  44.5319      1.45947  45.9999      1.50171  6.66773  0.109442  6.7766   0.110801  
1 1 1 36 22 14 o 1.32436  0.174158  1.76178      0.461296 3.23072      0.755689 0.889305     0.582394 1.7915   0.210909  0.935435 0.285336  
1 1 1 36 22 15 o 2.69247  0.103782  7.26203      0.558862 6.98613      0.777342 7.55721      0.804033 2.63845  0.14731   2.74423  0.146495  
1 1 1 36 22 16 o 9.94059  0.087879  98.9529      1.74714  99.183       2.35384  98.6706      2.60719  9.94647  0.118326  9.91781  0.13144   
1 1 1 36 22 17 o 3.97736  0.0884607 15.844       0.70368  14.9321      0.972906 16.8444      1.019    3.85813  0.126085  4.09792  0.124331  
1 1 1 36 22 18 o 4.50929  0.082325  20.363       0.742454 20.0043      1.0483   20.7241      1.05169  4.46613  0.117361  4.54596  0.115673  
1 1 1 36 22 19 o 3.86981  0.0913842 15.0053      0.707278 14.3707      0.993972 15.6561      1.00663  3.78308  0.131371  3.94913  0.12745   
1 1 1 36 22 20 o 2.13592  0.144415  4.58835      0.616918 4.46556      0.874858 4.7098       0.870069 2.10079  0.208221  2.15827  0.201566  
1 1 1 36 22 21 o 6.0036   0.0888333 36.1289      1.06664  35.072       1.44861  37.3806      1.57639  5.90883  0.12258   6.09867  0.129241  
1 1 1 36 22 22 o 3.61874  0.10366   13.1425      0.750236 13.1721      1.07621  13.1146      1.04641  3.61575  0.148822  3.60854  0.14499   
1 1 1 36 22 23 o 2.18853  0.165264  4.83659      0.72337  5.05179      1.03854  4.63381      1.00813  2.22581  0.233296  2.13117  0.236521  
1 1 1 36 22 24 o 1.13074  0.306956  1.37053      0.711911 1.27656      0.99201  1.47032      1.02226  1.12222  0.375491  1.18564  0.380793  
1 1 1 36 22 25 o 1.35655  0.267083  1.9579       0.698812 1.95828      0.964967 1.95748      1.01335  1.33851  0.354699  1.33743  0.36763   
1 1 1 36 22 26 o 3.51215  0.113613  12.4163      0.798055 13.178       1.12977  11.6576      1.12747  3.60769  0.156578  3.39051  0.166269  
1 1 1 36 22 27 o 1.23917  0.315219  1.68437      0.783301 2.26606      1.09205  1.06796      1.12416  1.4216   0.377613  1.07126  0.396254  
1 1 1 36 22 28 o 0.649953 0.289528  -0.229157    0.764421 0.742676     1.10241  -1.12917     1.06089  0.980936 0.385238  0.645669 0.305874  
1 1 1 36 22 29 o 3.35748  0.135638  11.427       0.910805 11.3582      1.25713  11.5031      1.32142  3.32647  0.188959  3.34358  0.197605  
1 1 1 36 22 30 o 1.39958  0.31375   2.1789       0.856402 1.42813      1.15767  3.08638      1.27276  1.1546   0.404669  1.63271  0.393762  
1 1 1 36 22 31 o 1.39734  0.311082  2.18943      0.846719 2.7965       1.17212  1.52692      1.22448  1.54772  0.380769  1.17643  0.415796  
1 1 1 36 22 32 o 1.48587  0.311315  2.5184       0.895421 2.85028      1.25842  2.17806      1.27437  1.52312  0.405714  1.32742  0.425046  
1 1 1 36 22 33 o 1.49869  0.31202   2.59238      0.904364 4.36374      1.25104  0.653558     1.30884  1.96533  0.318278  0.959671 0.402942  
1 1 1 36 22 34 o 0.58155  0.276246  -0.805923    0.870561 -0.837023    1.19858  -0.771196    1.26655  0.695372 0.327768  0.723319 0.339767  
1 1 1 36 22 35 o 1.36528  0.32699   2.30572      0.882428 1.38852      1.2885   3.11587      1.21099  1.05484  0.415778  1.53022  0.393536  
1 1 1 36 22 36 o 1.57029  0.313275  3.08145      0.94902  3.46665      1.32811  2.67957      1.35657  1.53582  0.420301  1.3094   0.439099  
1 1 1 36 22 37 f 1.09686  0.368176  1.75754      0.953736 2.59723      1.36234  0.950446     1.33563  1.23639  0.438418  0.901874 0.393418  
1 1 1 36 22 38 o 1.02726  0.369967  1.76497      0.973493 3.76066      1.45131  0.132603     1.31257  1.37407  0.454174  0.733053 0.344789  
1 1 1 36 22 39 o 0.715652 0.325393  0.445428     1.01968  1.18178      1.45545  -0.264407    1.429    0.839713 0.383895  0.68988  0.334049  
1 1 1 36 23 0  o 7.48327  0.10157   56.0517      1.51952  56.0517      1.51952  56.0517      1.51952  7.48501  0.0717893 ?        ?         
1 1 1 36 23 1  o 2.64859  0.104015  7.02068      0.550983 7.04029      0.764977 6.99955      0.794263 2.65127  0.144266  2.64341  0.150234  
1 1 1 36 23 2  o 13.8491  0.10506   191.958      2.90998  191.051      4.18243  192.809      4.05138  13.81    0.151427  13.8742  0.146004  
1 1 1 36 23 3  o 8.96837  0.0793878 80.471       1.42396  80.271       2.03862  80.6614      1.98983  8.95486  0.113828  8.97685  0.110831  
1 1 1 36 23 4  o 6.55913  0.0798788 43.0443      1.04787  43.2571      1.43619  42.8021      1.5323   6.57383  0.109235  6.53868  0.117172  
1 1 1 36 23 5  o 5.8639   0.0812652 34.4045      0.953062 31.4155      1.33258  37.5344      1.36362  5.60158  0.118947  6.1233   0.111347  
1 1 1 36 23 6  o 2.51135  0.120063  6.31509      0.603042 7.01774      0.847551 5.59465      0.858209 2.64603  0.160155  2.36177  0.181687  
1 1 1 36 23 7  o 3.67199  0.0878072 13.4937      0.644854 13.7814      0.919556 13.2153      0.904553 3.70956  0.123944  3.63254  0.124507  
1 1 1 36 23 8  o 0.647603 0.27011   0.0827138    0.581953 -0.206051    0.830893 0.360768     0.815338 0.702312 0.308295  0.827208 0.329254  
1 1 1 36 23 9  o 1.56874  0.18921   2.47058      0.59364  2.59039      0.867496 2.36505      0.814113 1.57844  0.285248  1.50758  0.280482  
1 1 1 36 23 10 o 4.39616  0.0804813 19.3406      0.707617 20.1261      1.03129  18.6418      0.97272  4.48278  0.115028  4.31444  0.112728  
1 1 1 36 23 11 o 5.40856  0.0773848 29.2745      0.83708  28.1411      1.18197  30.4149      1.18566  5.30068  0.111492  5.51096  0.107573  
1 1 1 36 23 12 o 3.09553  0.0994402 9.59532      0.61564  9.05301      0.852152 10.1874      0.890401 3.00467  0.141805  3.1875   0.139671  
1 1 1 36 23 13 o 2.10799  0.136231  4.45572      0.57435  3.95812      0.792223 5.00704      0.833885 1.98367  0.199686  2.23189  0.186811  
1 1 1 36 23 14 o 2.97435  0.103125  8.86176      0.613462 8.13011      0.845255 9.6761       0.891742 2.84628  0.148484  3.10549  0.143575  
1 1 1 36 23 15 o 1.77106  0.151335  3.14938      0.536048 2.89703      0.76075  3.39822      0.755451 1.69448  0.224478  1.83653  0.205674  
1 1 1 36 23 16 o 2.22151  0.129117  4.95113      0.573669 5.43432      0.800623 4.4413       0.822395 2.32447  0.172216  2.09962  0.195844  
1 1 1 36 23 17 o 5.08411  0.0772753 25.8804      0.785752 26.0067      1.12047  25.7581      1.1022   5.0933   0.109994  5.06905  0.108719  
1 1 1 36 23 18 f 4.53287  0.0807446 20.5777      0.73201  20.3593      1.01526  20.8142      1.0564   4.50558  0.112667  4.55525  0.115955  
1 1 1 36 23 19 o 3.48272  0.0979884 12.1598      0.682533 12.5203      0.967179 11.8022      0.963326 3.52979  0.137002  3.42664  0.140564  
1 1 1 36 23 20 o 3.3358   0.104035  11.1626      0.694079 10.1791      0.965134 12.216       0.998887 3.17991  0.151755  3.48482  0.14332   
1 1 1 36 23 21 o 3.10105  0.111669  9.65476      0.692585 10.7001      1.00964  8.72569      0.951837 3.25851  0.154924  2.94153  0.161793  
1 1 1 36 23 22 o 2.30156  0.152611  5.34175      0.702486 4.54668      0.950528 6.29869      1.0428   2.11298  0.224926  2.48997  0.2094    
1 1 1 36 23 23 o 1.78402  0.198416  3.22904      0.707956 2.46962      0.995039 4.00758      1.00748  1.51182  0.337693  1.97816  0.254651  
1 1 1 36 23 24 o 2.34668  0.154805  5.55986      0.726555 4.77636      1.02203  6.3604       1.03307  2.16117  0.236452  2.50048  0.206574  
1 1 1 36 23 25 o 3.54332  0.112174  12.6338      0.794933 13.0799      1.12359  12.1867      1.12482  3.59496  0.156274  3.46845  0.16215   
1 1 1 36 23 26 o 3.30793  0.120457  11.0295      0.796923 11.5559      1.1171   10.4841      1.13721  3.37401  0.165545  3.21028  0.17712   
1 1 1 36 23 27 o 3.05052  0.143644  9.42113      0.876379 9.83949      1.24969  9.01628      1.22934  3.099    0.201628  2.96449  0.207343  
1 1 1 36 23 28 o 2.58401  0.161754  6.79481      0.835949 7.17786      1.17078  6.39642      1.19398  2.63567  0.222104  2.48114  0.240611  
1 1 1 36 23 29 o 5.70114  0.1033    32.7649      1.17786  35.4584      1.66069  30.0382      1.67085  5.91081  0.140479  5.43241  0.153786  
1 1 1 36 23 30 o 3.0076   0.147951  9.213        0.889954 10.0514      1.24438  8.33516      1.27329  3.11852  0.199515  2.82728  0.225178  
1 1 1 36 23 31 o 1.78616  0.238017  3.36735      0.850274 3.67113      1.16554  3.02178      1.24315  1.79828  0.336531  1.59457  0.392036  
1 1 1 36 23 32 o 0.671984 0.305302  -0.315538    0.893851 -2.93903     1.31182  1.95812      1.22123  0.572317 0.285202  1.26174  0.41662   
1 1 1 36 23 33 o 1.63038  0.293702  3.03022      0.922747 4.69924      1.32492  1.45812      1.28588  2.02515  0.327117  1.11797  0.421696  
1 1 1 36 23 34 o 0.888456 0.345136  0.809427     0.879692 0.646483     1.18579  1.00887      1.31189  0.904591 0.381846  0.993708 0.409303  
1 1 1 36 23 35 o 0.890757 0.344941  0.868865     0.877257 0.754778     1.22506  0.988941     1.2568   0.914501 0.387176  0.963684 0.399124  
1 1 1 36 23 36 o 0.523046 0.255986  -1.25037     0.898733 -1.71488     1.27228  -0.787741    1.26972  0.603901 0.297439  0.681577 0.326621  
1 1 1 36 23 37 o 0.972824 0.361446  1.36178      0.937413 0.647486     1.33659  2.05326      1.31507  0.845995 0.379683  1.1018   0.423258  
1 1 1 36 23 38 o 0.594113 0.284008  -0.399298    0.945216 -0.280689    1.40272  -0.497948    1.27927  0.693384 0.334914  0.654765 0.316875  
1 1 1 36 23 39 o 0.83271  0.348057  1.26883      0.969472 1.46511      1.4207   1.09778      1.32625  0.825671 0.378229  0.783276 0.361495  
1 1 1 36 24 0  o 2.64187  0.145787  7.04925      0.764937 7.04925      0.764937 7.04925      0.764937 2.64852  0.10246   ?        ?         
1 1 1 36 24 1  o 7.08222  0.0718795 50.18        1.01813  50.8368      1.43892  49.5215      1.44079  7.12688  0.10095   7.03398  0.102417  
1 1 1 36 24 2  o 8.03494  0.0766221 64.5933      1.23131  63.0782      1.73909  66.1162      1.74358  7.93802  0.109542  8.1271   0.10727   
1 1 1 36 24 3  o 6.21473  0.0734061 38.6416      0.912398 38.9707      1.31764  38.3383      1.26465  6.23953  0.105588  6.1889   0.102171  
1 1 1 36 24 4  o 6.99386  0.0790257 48.9426      1.10539  48.5805      1.57583  49.2934      1.55097  6.96581  0.113112  7.01693  0.110517  
1 1 1 36 24 5  o 1.77844  0.160556  3.17093      0.571079 3.34701      0.844581 3.02262      0.775135 1.82468  0.231433  1.73431  0.223471  
1 1 1 36 24 6  o 5.47991  0.0770223 30.0479      0.84415  30.9484      1.22711  29.239       1.16308  5.55963  0.110359  5.40408  0.107611  
1 1 1 36 24 7  o 5.391    0.0777939 29.0818      0.838774 29.3769      1.19206  28.7925      1.18043  5.41653  0.110039  5.36238  0.110066  
1 1 1 36 24 8  o 4.5407   0.0817268 20.6334      0.742194 19.9067      1.04447  21.3746      1.05485  4.45827  0.117138  4.61989  0.114164  
1 1 1 36 24 9  f 6.14825  0.0764092 37.8271      0.939567 37.9242      1.37018  37.741       1.29086  6.15373  0.111329  6.13934  0.10513   
1 1 1 36 24 10 o 3.51108  0.0896442 12.3403      0.629495 12.6239      0.897286 12.0655      0.883359 3.54939  0.1264    3.46994  0.127287  
1 1 1 36 24 11 o 2.55466  0.110651  6.53734      0.565351 6.39239      0.77418  6.70296      0.827539 2.52421  0.153351  2.58442  0.160101  
1 1 1 36 24 12 o 4.66769  0.0767191 21.8061      0.716201 21.4409      0.989142 22.2086      1.03837  4.62652  0.106899  4.70836  0.110269  
1 1 1 36 24 13 o 2.01985  0.142816  4.09299      0.576934 3.83395      0.772955 4.41884      0.86692  1.95192  0.197999  2.09492  0.20691   
1 1 1 36 24 14 o 3.25164  0.101117  10.5921      0.657595 10.9254      0.888042 10.1875      0.978483 3.3001   0.134548  3.18517  0.1536    
1 1 1 36 24 15 o 1.94794  0.129391  3.80663      0.504092 3.21128      0.721872 4.37326      0.704242 1.78503  0.202201  2.08555  0.168838  
1 1 1 36 24 16 o 4.52174  0.0810085 20.4737      0.732598 19.9274      1.03341  21.0256      1.03871  4.45789  0.115908  4.57936  0.113412  
1 1 1 36 24 17 o 0.818537 0.276292  0.637145     0.537097 0.116914     0.769302 1.13186      0.750196 0.741182 0.309941  1.05103  0.324506  
1 1 1 36 24 18 o 2.65532  0.116638  7.07481      0.619425 7.2486       0.860043 6.88749      0.892879 2.68372  0.160233  2.61489  0.17073   
1 1 1 36 24 19 o 3.13379  0.104687  9.85103      0.656136 10.6662      0.906097 8.95237      0.951392 3.25709  0.139096  2.98144  0.159552  
1 1 1 36 24 20 o 3.22837  0.107538  10.4595      0.694347 9.73547      0.972152 11.2134      0.992062 3.10846  0.156372  3.33728  0.148633  
1 1 1 36 24 21 o 2.04325  0.161701  4.21247      0.660792 4.19239      0.965531 4.23016      0.906283 2.02766  0.23809   2.03932  0.222203  
1 1 1 36 24 22 o 2.34341  0.1551    5.53886      0.726925 5.01732      0.998562 6.12684      1.06026  2.21974  0.224928  2.45464  0.215971  
1 1 1 36 24 23 o 1.74007  0.204358  3.07783      0.711194 2.56407      0.993122 3.61864      1.01894  1.54042  0.331838  1.87508  0.271704  
1 1 1 36 24 24 o 4.54684  0.099433  20.7643      0.904211 19.7208      1.25533  21.8894      1.30353  4.42105  0.141972  4.65839  0.139912  
1 1 1 36 24 25 o 1.68745  0.207966  2.91015      0.701865 2.90267      0.992629 2.91763      0.992546 1.63925  0.313967  1.64378  0.313169  
1 1 1 36 24 26 o 2.50802  0.159331  6.3825       0.799207 5.82345      1.08181  7.05422      1.18583  2.37776  0.227486  2.61731  0.226537  
1 1 1 36 24 27 o 3.40827  0.128497  11.737       0.875905 12.6087      1.22934  10.8381      1.24832  3.51689  0.174776  3.2543   0.191795  
1 1 1 36 24 28 o 1.36895  0.29753   2.06306      0.79183  2.0561       1.08715  2.07092      1.15562  1.34172  0.384956  1.3447   0.400297  
1 1 1 36 24 29 o 2.98917  0.149317  9.08787      0.892671 10.2306      1.2595   7.93444      1.26538  3.15059  0.199883  2.76173  0.229091  
1 1 1 36 24 30 o 1.5303   0.285948  2.57481      0.84269  3.11333      1.16503  1.98391      1.22038  1.64505  0.363796  1.30211  0.415845  
1 1 1 36 24 31 f 2.28107  0.1945    5.41567      0.887335 5.16896      1.26586  5.654        1.24418  2.17638  0.290817  2.28831  0.271856  
1 1 1 36 24 32 o 0.708109 0.311672  -0.0228145   0.853851 -0.384805    1.19625  0.353158     1.21913  0.765411 0.349198  0.887657 0.381356  
1 1 1 36 24 33 o 0.961668 0.352642  1.02351      0.887937 2.98246      1.28559  -0.763455    1.22786  1.51597  0.412921  0.716121 0.336035  
1 1 1 36 24 34 o 0.78404  0.333437  0.371568     0.915506 1.71783      1.26167  -1.12563     1.33052  1.1343   0.419746  0.694409 0.333151  
1 1 1 36 24 35 o 1.0322   0.350329  1.38252      0.863514 2.08595      1.25295  0.746145     1.19173  1.19437  0.420758  0.893773 0.380276  
1 1 1 36 24 36 o 0.995187 0.356938  1.38545      0.905308 1.47822      1.26698  1.28868      1.29404  1.0012   0.405682  0.96426  0.402522  
1 1 1 36 24 37 o 1.52414  0.326835  3.23828      0.967512 2.61733      1.37789  3.84218      1.35884  1.16027  0.436793  1.48388  0.431894  
1 1 1 36 24 38 o 0.598744 0.286496  -0.421511    0.967707 -0.900736    1.47193  -0.0566936   1.28427  0.658858 0.323957  0.699888 0.33373   
1 1 1 36 25 0  f 4.22189  0.10667   17.8686      0.899395 17.8686      0.899395 17.8686      0.899395 4.22452  0.0753251 ?        ?         
1 1 1 36 25 1  o 9.68976  0.0826696 93.956       1.6021   96.292       2.30239  91.763       2.23072  9.80611  0.117396  9.57282  0.116513  
1 1 1 36 25 2  o 5.19909  0.0691636 27.0438      0.719175 28.0433      1.04785  26.1536      0.988846 5.29296  0.0989854 5.11163  0.0967251 
1 1 1 36 25 3  o 7.35336  0.0780863 54.1061      1.14839  54.9378      1.59466  53.2101      1.65518  7.40759  0.107637  7.28969  0.113529  
1 1 1 36 25 4  o 7.13722  0.0755617 50.9707      1.0786   50.6253      1.52554  51.3159      1.5252   7.11085  0.107269  7.15924  0.10652   
1 1 1 36 25 5  o 10.5438  0.0888996 111.266      1.87468  113.272      2.78702  109.609      2.53347  10.6331  0.131054  10.4611  0.121089  
1 1 1 36 25 6  o 12.2672  0.101356  150.657      2.48671  149.798      3.54124  151.493      3.49274  12.2249  0.144837  12.2944  0.142046  
1 1 1 36 25 7  o 5.39499  0.0756065 29.1252      0.815793 28.5365      1.15656  29.7081      1.15087  5.33832  0.108326  5.44698  0.105643  
1 1 1 36 25 8  o 10.0297  0.0868699 100.689      1.74256  99.7955      2.52827  101.497      2.40505  9.97991  0.126668  10.0657  0.119468  
1 1 1 36 25 9  o 3.23813  0.085485  10.4956      0.553623 10.3644      0.755405 10.6478      0.813726 3.21646  0.117428  3.25974  0.124814  
1 1 1 36 25 10 o 2.91589  0.0959385 8.51338      0.559492 8.34615      0.774293 8.6961       0.809354 2.88532  0.134178  2.94501  0.137411  
1 1 1 36 25 11 o 4.75137  0.0766145 22.5951      0.728047 22.8228      1.00907  22.3479      1.05146  4.77334  0.105699  4.72298  0.111314  
1 1 1 36 25 12 o 3.42696  0.0938077 11.7605      0.64295  12.0066      0.883731 11.4838      0.937157 3.46052  0.127688  3.38355  0.138487  
1 1 1 36 25 13 o 2.09768  0.138846  4.41508      0.582507 4.0242       0.788026 4.88595      0.864909 1.99922  0.197083  2.20296  0.196306  
1 1 1 36 25 14 o 7.08575  0.0802306 50.2692      1.13699  51.8149      1.5854   48.6323      1.63148  7.18997  0.110251  6.96462  0.117126  
1 1 1 36 25 15 o 2.86016  0.105894  8.19918      0.605747 8.72404      0.801389 7.49963      0.925198 2.94814  0.135915  2.73062  0.169412  
1 1 1 36 25 16 o 0.746579 0.270017  0.471246     0.519029 0.555852     0.741247 0.389862     0.726997 0.85201  0.320442  0.796566 0.312838  
1 1 1 36 25 17 o 4.57246  0.0824035 20.9419      0.753574 22.4033      1.12046  19.735       1.01828  4.72515  0.118563  4.43532  0.114793  
1 1 1 36 25 18 o 3.08774  0.102064  9.56155      0.630294 9.61315      0.869842 9.5045       0.914579 3.09216  0.140653  3.07365  0.148777  
1 1 1 36 25 19 o 6.98493  0.0814162 48.886       1.13737  50.1283      1.57852  47.5446      1.64023  7.06702  0.111682  6.88072  0.11919   
1 1 1 36 25 20 o 2.89524  0.115651  8.41923      0.669673 8.97628      0.954986 7.88029      0.93933  2.98335  0.160052  2.79408  0.168093  
1 1 1 36 25 21 o 4.14896  0.0958274 17.2708      0.795167 16.0469      1.09904  18.6152      1.15189  3.99217  0.13765   4.30057  0.133923  
1 1 1 36 25 22 o 3.15024  0.130141  9.98738      0.819952 9.26553      1.14062  10.7593      1.17953  3.02363  0.188618  3.26     0.180909  
1 1 1 36 25 23 o 2.85503  0.127076  8.20416      0.725611 8.46474      1.01463  7.93137      1.03811  2.89137  0.175457  2.79674  0.185594  
1 1 1 36 25 24 o 0.883139 0.311425  0.735193     0.686552 1.25075      0.970059 0.217775     0.971805 1.10379  0.371313  0.831789 0.348126  
1 1 1 36 25 25 o 2.2554   0.157757  5.1565       0.711612 5.08883      0.990246 5.22877      1.02331  2.22562  0.222465  2.2548   0.226918  
1 1 1 36 25 26 o 1.00827  0.326208  1.06751      0.749194 0.395218     1.02776  1.82982      1.09442  0.883581 0.362829  1.28298  0.391107  
1 1 1 36 25 27 o 0.54262  0.257397  -0.846306    0.75348  -1.45126     1.066    -0.242289    1.06517  0.611867 0.294676  0.769957 0.342412  
1 1 1 36 25 28 o 1.22826  0.316473  1.68135      0.782059 1.26721      1.07389  2.14902      1.14117  1.10246  0.389416  1.36623  0.395194  
1 1 1 36 25 29 o 0.695472 0.305724  -0.0931892   0.819454 -0.351949    1.14649  0.177066     1.17168  0.774476 0.349412  0.870523 0.373924  
1 1 1 36 25 30 o 0.661382 0.299757  -0.330769    0.85339  -0.186716    1.19641  -0.479976    1.21762  0.810274 0.361543  0.774685 0.353126  
1 1 1 36 25 31 o 1.08546  0.345848  1.36091      0.844478 1.25243      1.22825  1.45816      1.16297  1.08223  0.410982  1.12803  0.404558  
1 1 1 36 25 32 o 1.27175  0.334259  1.91984      0.861385 2.07828      1.2429   1.7734       1.19488  1.28147  0.4203    1.19934  0.411999  
1 1 1 36 25 33 o 1.64122  0.27262   3.01372      0.894858 2.34906      1.24693  3.71956      1.28496  1.32476  0.420068  1.71365  0.38443   
1 1 1 36 25 34 o 0.87034  0.345691  0.770651     0.897039 0.649788     1.23989  0.903395     1.29941  0.901594 0.385872  0.956522 0.401547  
1 1 1 36 25 35 o 0.735907 0.32348   0.24599      0.917295 0.627776     1.31412  -0.116799    1.28101  0.875354 0.385875  0.765151 0.353948  
1 1 1 36 25 36 o 0.663514 0.303282  -0.0722205   0.907874 -0.151386    1.29282  0.00480395   1.27522  0.742939 0.347932  0.75869  0.351795  
1 1 1 36 25 37 o 1.34688  0.351023  2.74363      0.95506  0.870984     1.34196  4.66561      1.35952  0.825056 0.374644  1.67779  0.408423  
1 1 1 36 25 38 o 0.653002 0.3019    0.118225     0.930278 0.140954     1.33668  0.0968746    1.29551  0.715736 0.341084  0.706348 0.33622   
1 1 1 36 26 0  o 0.86985  0.391548  1.10439      0.724528 1.10439      0.724528 1.10439      0.724528 0.924015 0.311064  ?        ?         
1 1 1 36 26 1  o 1.65753  0.151266  2.75424      0.501455 3.19885      0.691895 2.26231      0.727796 1.78489  0.19382   1.4993   0.242712  
1 1 1 36 26 2  o 3.36269  0.0799133 11.3156      0.537448 12.2448      0.750008 10.3348      0.77054  3.49706  0.107234  3.21225  0.119938  
1 1 1 36 26 3  o 5.43519  0.0719518 29.5583      0.782144 29.0611      1.11033  30.0481      1.10195  5.38765  0.103044  5.47852  0.10057   
1 1 1 36 26 4  o 4.06324  0.0829645 16.5228      0.674208 16.8946      0.923546 16.0985      0.986515 4.10735  0.112426  4.00884  0.123042  
1 1 1 36 26 5  o 2.5644   0.116458  6.58657      0.597289 6.15509      0.846934 7.01351      0.842471 2.4767   0.170981  2.64437  0.159295  
1 1 1 36 26 6  o 5.51155  0.0754886 30.3984      0.832119 30.0684      1.15397  30.7557      1.20102  5.47975  0.105294  5.5418   0.108361  
1 1 1 36 26 7  o 6.83581  0.0781358 46.765       1.06824  45.2186      1.47822  48.4554      1.54547  6.71923  0.109999  6.95545  0.111098  
1 1 1 36 26 8  o 2.50287  0.127034  6.27821      0.6359   6.65777      0.926671 5.9404       0.874216 2.57456  0.179967  2.43192  0.179738  
1 1 1 36 26 9  o 6.90165  0.0840933 47.6809      1.16076  48.3535      1.61899  46.9695      1.66512  6.94689  0.116526  6.84615  0.12161   
1 1 1 36 26 10 o 6.57209  0.0824186 43.2365      1.08333  43.5312      1.59988  42.987       1.47218  6.59044  0.121379  6.55016  0.112377  
1 1 1 36 26 11 o 7.14257  0.0772135 51.0654      1.10301  54.3415      1.61052  48.1713      1.51375  7.36449  0.109343  6.93382  0.109157  
1 1 1 36 26 12 o 5.0582   0.0789921 25.6134      0.799116 25.8172      1.11072  25.3948      1.15058  5.07569  0.109415  5.03352  0.114292  
1 1 1 36 26 13 o 2.74643  0.107909  7.55956      0.59273  7.54759      0.813595 7.57309      0.865286 2.74157  0.148381  2.74546  0.157585  
1 1 1 36 26 14 o 2.18113  0.132264  4.77419      0.576969 4.73855      0.794274 4.81401      0.839518 2.1695   0.183055  2.18597  0.192024  
1 1 1 36 26 15 o 5.28837  0.0852779 28.0107      0.901963 28.5831      1.24878  27.3864      1.30416  5.33851  0.11696   5.2245   0.124812  
1 1 1 36 26 16 o 3.10673  0.091551  9.67102      0.568849 10.3819      0.825199 9.02732      0.785235 3.21581  0.128303  2.99845  0.13094   
1 1 1 36 26 17 o 4.283    0.0849164 18.3796      0.727394 17.7522      1.02332  19.0203      1.03415  4.20506  0.121677  4.35306  0.118784  
1 1 1 36 26 18 o 1.75808  0.157641  3.1133       0.554291 4.51295      0.792689 1.77414      0.77537  2.1136   0.187521  1.28956  0.305031  
1 1 1 36 26 19 o 1.81994  0.16374   3.34041      0.595992 2.92905      0.82678  3.7854       0.859917 1.69533  0.243841  1.93028  0.222744  
1 1 1 36 26 20 o 1.60196  0.189738  2.59936      0.607907 4.0232       0.87359  1.26255      0.846471 1.9886   0.219649  1.10121  0.345652  
1 1 1 36 26 21 o 3.45066  0.107799  11.9568      0.743958 10.7447      1.10361  12.9665      1.00722  3.26098  0.169215  3.58807  0.140356  
1 1 1 36 26 22 o 3.59885  0.115258  13.0201      0.829591 12.5782      1.13982  13.5179      1.20974  3.52826  0.161527  3.65677  0.165411  
1 1 1 36 26 23 o 2.61599  0.140019  6.90506      0.732575 6.36796      0.987918 7.56118      1.0919   2.50117  0.197491  2.72475  0.200368  
1 1 1 36 26 24 o 1.02484  0.305708  1.11895      0.673535 1.37779      0.961585 0.869643     0.943712 1.14134  0.369596  0.985147 0.363325  
1 1 1 36 26 25 o 1.61621  0.219856  2.68533      0.710667 3.17028      1.01251  2.21445      0.997722 1.7118   0.306863  1.41098  0.35387   
1 1 1 36 26 26 o 1.96365  0.195632  3.94876      0.768304 3.36085      1.06659  4.58283      1.10766  1.75616  0.315104  2.09472  0.264395  
1 1 1 36 26 27 o 1.63394  0.249439  2.79043      0.815136 2.629        1.14373  2.95706      1.16204  1.51671  0.37797   1.6148   0.367896  
1 1 1 36 26 28 f 0.69636  0.301576  -0.00545331  0.773951 0.511633     1.11494  -0.486336    1.0752   0.923918 0.378399  0.731315 0.332947  
1 1 1 36 26 29 o 2.15713  0.19488   4.8083       0.840763 5.85531      1.15533  3.62958      1.22584  2.35856  0.244923  1.78534  0.355918  
1 1 1 36 26 30 o 2.80102  0.159538  8.05529      0.893737 8.59486      1.28705  7.55282      1.24202  2.85687  0.225255  2.67385  0.232253  
1 1 1 36 26 31 o 1.63662  0.25445   2.89206      0.832874 2.01205      1.13198  3.93078      1.22982  1.27836  0.39941   1.83152  0.348301  
1 1 1 36 26 32 f 1.25161  0.32941   1.87185      0.835863 1.17058      1.1808   2.5762       1.18339  1.03557  0.400363  1.42257  0.399561  
1 1 1 36 26 33 o 1.5861   0.292517  2.94882      0.893094 1.88246      1.27907  3.9633       1.24757  1.1801   0.424168  1.77678  0.363621  
1 1 1 36 26 34 o 0.679136 0.303357  -0.0213811   0.844328 0.298795     1.21367  -0.321669    1.17537  0.830704 0.367909  0.732209 0.338835  
1 1 1 36 26 35 o 0.723098 0.321215  0.202652     0.934513 0.280071     1.36955  0.1352       1.27836  0.820446 0.374126  0.785975 0.359517  
1 1 1 36 26 36 o 1.05655  0.363605  1.66766      0.931028 2.38954      1.35104  1.01482      1.2848   1.16257  0.433527  0.891843 0.38743   
1 1 1 36 26 37 o 0.854021 0.346232  1.14845      0.923547 0.541271     1.31518  1.73914      1.29719  0.765281 0.355778  0.94294  0.398773  
1 1 1 36 26 38 o 1.15279  0.377478  2.52737      1.00254  1.38886      1.4489   3.57314      1.38862  0.811    0.375643  1.20071  0.440929  
1 1 1 36 27 0  o 0.64229  0.356241  0.579188     0.663181 0.579188     0.663181 0.579188     0.663181 0.624131 0.311474  ?        ?         
1 1 1 36 27 1  o 3.58709  0.0781927 12.8765      0.560967 13.8008      0.803182 11.9962      0.783828 3.71236  0.108177  3.46091  0.11324   
1 1 1 36 27 2  o 4.89165  0.0672353 23.9412      0.657783 23.9765      0.930201 23.9059      0.93029  4.89392  0.0950363 4.8867   0.095186  
1 1 1 36 27 3  o 2.83852  0.0979394 8.06662      0.556005 8.50384      0.827212 7.70633      0.75093  2.91253  0.142009  2.77291  0.135405  
1 1 1 36 27 4  o 2.61759  0.111489  6.86249      0.583665 7.01555      0.818142 6.70385      0.832911 2.6447   0.154676  2.58495  0.161108  
1 1 1 36 27 5  o 5.00527  0.0790073 25.0732      0.790906 24.7616      1.1502   25.3526      1.0893   4.97175  0.115674  5.03128  0.108253  
1 1 1 36 27 6  o 3.80074  0.0828986 14.4592      0.630152 14.7091      0.87236  14.1865      0.911249 3.83185  0.11383   3.76273  0.121089  
1 1 1 36 27 7  o 1.99792  0.161953  4.00649      0.647139 4.33326      0.903058 3.66154      0.927832 2.07469  0.217637  1.90552  0.243459  
1 1 1 36 27 8  o 6.71538  0.08265   45.1416      1.11005  44.3373      1.55176  45.9845      1.5886   6.65193  0.11664   6.77429  0.117252  
1 1 1 36 27 9  o 1.70432  0.193899  2.92158      0.660933 3.3582       0.931895 2.47967      0.937533 1.82326  0.255557  1.53532  0.316142  
1 1 1 36 27 10 o 3.33071  0.105374  11.114       0.701941 11.9366      1.02022  10.3746      0.96728  3.44864  0.147916  3.21489  0.150437  
1 1 1 36 27 11 o 4.29146  0.0884892 18.4423      0.759495 18.4949      1.06737  18.3884      1.08094  4.29464  0.124268  4.28207  0.126217  
1 1 1 36 27 12 f 10.0285  0.0887384 100.721      1.77982  103.659      2.49175  97.6617      2.54313  10.1667  0.122544  9.86675  0.128874  
1 1 1 36 27 13 o 2.20715  0.127342  4.88754      0.562124 5.26737      0.785127 4.48807      0.80518  2.28828  0.171554  2.11077  0.190732  
1 1 1 36 27 14 o 5.36483  0.0832231 28.8241      0.892955 30.9921      1.28746  26.8145      1.23956  5.55912  0.115797  5.17037  0.119871  
1 1 1 36 27 15 o 0.979984 0.284869  0.998763     0.591528 1.14172      0.77974  0.804947     0.907904 1.05779  0.331692  0.975071 0.35668   
1 1 1 36 27 16 o 3.70271  0.0829943 13.7349      0.614609 13.3143      0.847364 14.2018      0.892789 3.64245  0.116318  3.76162  0.118671  
1 1 1 36 27 17 o 2.09593  0.131249  4.41468      0.550179 3.82554      0.785164 4.983        0.771166 1.94462  0.201881  2.22273  0.173472  
1 1 1 36 27 18 o 2.55685  0.114674  6.56424      0.586409 7.41424      0.830192 5.71785      0.828425 2.713    0.153003  2.37996  0.174042  
1 1 1 36 27 19 o 1.80882  0.161541  3.30126      0.584396 2.91289      0.813525 3.71535      0.840034 1.68978  0.24072   1.91154  0.219727  
1 1 1 36 27 20 o 3.79127  0.0964603 14.4217      0.731415 13.5339      1.02772  15.3329      1.04116  3.66584  0.140176  3.90319  0.133373  
1 1 1 36 27 21 o 2.75725  0.128169  7.65107      0.706788 8.07516      1.03573  7.28147      0.966911 2.82323  0.183431  2.68148  0.180294  
1 1 1 36 27 22 o 0.894343 0.309587  0.763402     0.675789 0.964626     0.957096 0.563341     0.954329 1.02155  0.366944  0.911188 0.358245  
1 1 1 36 27 23 o 3.91701  0.107254  15.4316      0.840232 15.8399      1.15698  14.976       1.22224  3.95884  0.146126  3.84566  0.158911  
1 1 1 36 27 24 o 1.54364  0.22691   2.4515       0.700535 1.88567      0.966663 3.07735      1.01664  1.30458  0.359265  1.68507  0.313372  
1 1 1 36 27 25 o 1.91166  0.198686  3.74147      0.759643 3.56638      1.05123  3.93281      1.09895  1.84363  0.285097  1.93646  0.283754  
1 1 1 36 27 26 o 1.03416  0.334967  1.13801      0.789803 2.10629      1.09752  0.0980141    1.13745  1.36251  0.385473  0.85441  0.36775   
1 1 1 36 27 27 o 2.82841  0.154686  8.14395      0.875034 7.19363      1.21809  9.15728      1.25783  2.62959  0.231613  2.97656  0.21129   
1 1 1 36 27 28 o 0.955064 0.331611  0.934873     0.775861 0.69824      1.09072  1.17725      1.10387  0.956219 0.380751  1.07794  0.393393  
1 1 1 36 27 29 o 1.22207  0.336569  1.70472      0.848346 2.65313      1.19581  0.743724     1.20372  1.49754  0.393941  0.984    0.396776  
1 1 1 36 27 30 o 0.673732 0.298244  -0.101216    0.796273 -1.15337     1.10725  1.02577      1.14595  0.64439  0.307886  1.01845  0.394273  
1 1 1 36 27 31 o 4.15136  0.119818  17.5517      0.994819 17.3055      1.38795  17.8119      1.42662  4.08464  0.169899  4.14194  0.172216  
1 1 1 36 27 32 o 0.545126 0.260754  -0.861069    0.799948 -2.07946     1.10703  0.470335     1.15723  0.550651 0.272254  0.875079 0.373599  
1 1 1 36 27 33 o 3.22843  0.15141   10.8686      0.977631 10.9131      1.48461  10.8346      1.29905  3.14485  0.236039  3.17039  0.204873  
1 1 1 36 27 34 o 0.764774 0.333193  0.323539     0.955516 1.89948      1.37212  -1.16028     1.33141  1.12649  0.432456  0.673109 0.325321  
1 1 1 36 27 35 o 0.857896 0.34941   0.877715     0.945373 0.386639     1.27797  1.47122      1.40495  0.812646 0.367645  0.996303 0.417859  
1 1 1 36 27 36 o 0.588611 0.280923  -0.465037    0.915284 1.09         1.34303  -1.81364     1.25071  0.869045 0.385683  0.564275 0.280815  
1 1 1 36 27 37 o 0.68155  0.311452  0.215702     0.95681  0.504029     1.37242  -0.0569679   1.33464  0.772153 0.360694  0.708669 0.338461  
1 1 1 36 28 0  o 5.76604  0.0972155 33.2964      1.12038  33.2964      1.12038  33.2964      1.12038  5.76817  0.0686942 ?        ?         
1 1 1 36 28 1  o 3.09654  0.0852077 9.59783      0.527698 8.36637      0.713413 11.0856      0.784147 2.88954  0.123448  3.32643  0.117866  
1 1 1 36 28 2  o 2.86406  0.086131  8.21106      0.493369 8.25065      0.682107 8.16762      0.714477 2.86966  0.118848  2.85489  0.125132  
1 1 1 36 28 3  o 3.8823   0.0793873 15.0852      0.61641  15.0941      0.89884  15.0774      0.846943 3.88155  0.115784  3.87979  0.109148  
1 1 1 36 28 4  o 3.76136  0.0810876 14.1608      0.609999 14.4084      0.88198  13.9338      0.844575 3.79226  0.116287  3.72946  0.11323   
1 1 1 36 28 5  o 5.06237  0.0766698 25.6491      0.776261 25.3203      1.07574  26.0062      1.12127  5.0278   0.106979  5.09521  0.110032  
1 1 1 36 28 6  f 6.8448   0.0795587 46.8948      1.08913  45.4616      1.50291  48.4799      1.58054  6.73631  0.111553  6.9561   0.113608  
1 1 1 36 28 7  o 3.81965  0.0937841 14.6093      0.716445 14.6371      1.02756  14.583       0.999442 3.82052  0.134479  3.81373  0.131032  
1 1 1 36 28 8  o 4.76629  0.0853065 22.7441      0.813192 23.4691      1.17887  22.086       1.1232   4.83867  0.121818  4.69413  0.119639  
1 1 1 36 28 9  o 3.07891  0.109284  9.49905      0.672948 8.81262      0.946359 10.2012      0.957118 2.9621   0.159744  3.18774  0.150125  
1 1 1 36 28 10 o 7.39456  0.088875  54.758       1.31438  53.7815      1.87401  55.7035      1.84399  7.32265  0.12796   7.45308  0.123707  
1 1 1 36 28 11 o 2.31965  0.139994  5.40124      0.649472 5.20769      0.928671 5.58654      0.908641 2.27286  0.204296  2.3551   0.192909  
1 1 1 36 28 12 o 3.5937   0.101612  12.9419      0.730325 11.2602      1.02963  14.6448      1.03607  3.34759  0.153787  3.81972  0.135621  
1 1 1 36 28 13 o 2.46451  0.107341  6.0889       0.529086 6.7352       0.727314 5.36246      0.771084 2.58978  0.14042   2.30883  0.166986  
1 1 1 36 28 14 o 4.28243  0.0850189 18.3702      0.728174 19.3301      1.04727  17.4719      1.01316  4.3893   0.119299  4.17275  0.121402  
1 1 1 36 28 15 o 5.72552  0.08334   32.8407      0.954329 33.1833      1.31765  32.4627      1.38405  5.75075  0.114563  5.68674  0.121691  
1 1 1 36 28 16 o 1.94109  0.1473    3.79108      0.571844 3.54827      0.760683 4.10663      0.867155 1.87281  0.203086  2.01335  0.215352  
1 1 1 36 28 17 o 0.898478 0.272194  0.832495     0.531188 1.41252      0.766121 0.295517     0.737143 1.1528   0.320747  0.770705 0.310611  
1 1 1 36 28 18 o 3.44529  0.0940188 11.9052      0.647844 11.7453      0.903126 12.0747      0.929839 3.41704  0.13215   3.46431  0.134202  
1 1 1 36 28 19 o 0.47902  0.226572  -0.675734    0.580068 -0.625595    0.812866 -0.727761    0.828024 0.611228 0.282441  0.602802 0.281034  
1 1 1 36 28 20 o 3.71289  0.102844  13.8403      0.763696 13.3965      1.1086   14.2411      1.05356  3.64426  0.152102  3.75985  0.140107  
1 1 1 36 28 21 o 3.06059  0.115326  9.41715      0.705929 10.0981      1.00391  8.75111      0.992851 3.16168  0.158762  2.94134  0.168775  
1 1 1 36 28 22 o 2.72729  0.133559  7.50324      0.728509 6.97635      1.01921  8.05363      1.04169  2.61721  0.194714  2.8145   0.185058  
1 1 1 36 28 23 o 3.33992  0.116475  11.2347      0.778034 10.6695      1.06529  11.8809      1.13901  3.24342  0.164224  3.42195  0.166428  
1 1 1 36 28 24 o 1.93572  0.183849  3.82101      0.711759 3.39005      0.979176 4.30384      1.03642  1.8027   0.271586  2.03633  0.254483  
1 1 1 36 28 25 o 0.973895 0.330365  0.96747      0.767903 1.21269      1.0919   0.727496     1.08016  1.09924  0.392224  0.971847 0.381433  
1 1 1 36 28 26 o 0.982052 0.332877  1.00062      0.779622 0.813415     1.10459  1.18644      1.10052  0.991849 0.386449  1.08646  0.393159  
1 1 1 36 28 27 o 1.01548  0.337685  1.09547      0.802306 1.43599      1.17443  0.797492     1.09862  1.15891  0.407452  0.984092 0.384997  
1 1 1 36 28 28 o 3.67002  0.126182  13.6571      0.926179 13.0062      1.302    14.3239      1.31778  3.55458  0.183143  3.73413  0.17645   
1 1 1 36 28 29 o 2.38205  0.182161  5.86934      0.867834 6.05326      1.22148  5.68187      1.23321  2.38085  0.256521  2.29992  0.2681    
1 1 1 36 28 30 o 2.89449  0.154462  8.62261      0.894177 9.0259       1.24214  8.18883      1.28823  2.92504  0.21233   2.77187  0.232376  
1 1 1 36 28 31 o 3.41639  0.133802  11.961       0.914235 12.6965      1.28972  11.2182      1.29615  3.48131  0.185235  3.2612   0.198724  
1 1 1 36 28 32 o 0.529001 0.255225  -0.998836    0.808523 -2.22028     1.12496  0.306222     1.16283  0.54322  0.269779  0.837737 0.366247  
1 1 1 36 28 33 o 1.56553  0.298464  2.92606      0.900951 3.67293      1.35037  2.32687      1.20951  1.63801  0.412214  1.28964  0.414204  
1 1 1 36 28 34 o 0.661525 0.302536  -0.14067     0.904785 0.791815     1.26252  -1.12524     1.2973   0.887793 0.384839  0.658471 0.318744  
1 1 1 36 28 35 o 1.22031  0.369435  2.18392      0.978743 2.87016      1.37661  1.48243      1.39182  1.29147  0.44233   0.987527 0.415119  
1 1 1 36 28 36 o 0.600999 0.287089  -0.408302    0.96134  -0.236755    1.43905  -0.546561    1.2919   0.709382 0.34182   0.658316 0.318566  
1 1 1 36 28 37 o 0.752134 0.334511  0.701664     1.01676  2.52269      1.46388  -0.995642    1.41328  1.0308   0.429069  0.629374 0.310316  
1 1 1 36 29 0  o 0.781763 0.381457  0.911835     0.697141 0.911835     0.697141 0.911835     0.697141 0.812719 0.318313  ?        ?         
1 1 1 36 29 1  o 7.68629  0.0725955 59.1241      1.11598  58.7714      1.57317  59.4813      1.58335  7.66038  0.102682  7.7065   0.102728  
1 1 1 36 29 2  o 3.68913  0.07418   13.6206      0.547319 12.6185      0.756336 14.7222      0.793018 3.54929  0.106547  3.83395  0.103421  
1 1 1 36 29 3  o 3.27034  0.0794272 10.7051      0.519508 10.0668      0.712265 11.4306      0.759386 3.16984  0.11235   3.37774  0.11241   
1 1 1 36 29 4  o 2.56188  0.102158  6.57352      0.523434 5.97617      0.750594 7.13904      0.730317 2.44024  0.153795  2.6681   0.136861  
1 1 1 36 29 5  o 2.95487  0.0908255 8.74241      0.536755 9.07904      0.788036 8.45108      0.73311  3.00911  0.130942  2.90345  0.126248  
1 1 1 36 29 6  o 5.98511  0.0843681 35.8626      1.0099   36.5446      1.45052  35.221       1.40692  6.03814  0.120113  5.92794  0.118669  
1 1 1 36 29 7  o 3.09222  0.109122  9.58107      0.674857 8.1441       0.976895 10.8929      0.933375 2.84666  0.171586  3.29481  0.141643  
1 1 1 36 29 8  o 5.84692  0.0816894 34.227       0.955262 34.2616      1.37255  34.1945      1.33033  5.84615  0.117389  5.84084  0.113882  
1 1 1 36 29 9  o 1.14407  0.273937  1.38003      0.61944  -0.154522    0.882227 2.87216      0.869945 0.732653 0.31967   1.68424  0.25826   
1 1 1 36 29 10 o 6.35944  0.0866391 40.5026      1.10195  40.0967      1.55179  40.9155      1.56508  6.32279  0.122714  6.38706  0.12252   
1 1 1 36 29 11 o 3.03724  0.112904  9.24907      0.685834 9.69996      0.982214 8.82008      0.958068 3.10653  0.158089  2.96193  0.16173   
1 1 1 36 29 12 o 6.45297  0.0839547 41.7047      1.08351  43.5089      1.56969  40.0626      1.49749  6.58602  0.119169  6.31992  0.118474  
1 1 1 36 29 13 o 0.953274 0.290519  0.93224      0.603922 -0.812051    0.83502  2.84536      0.874497 0.596883 0.279548  1.67343  0.261288  
1 1 1 36 29 14 o 0.954983 0.260622  0.958251     0.511536 1.28285      0.677346 0.527377     0.780391 1.10166  0.299568  0.854131 0.326648  
1 1 1 36 29 15 o 1.91716  0.154783  3.70043      0.593487 3.7547       0.786313 3.62858      0.904722 1.92647  0.204081  1.88974  0.239377  
1 1 1 36 29 16 o 3.08694  0.103696  9.56025      0.640205 9.27043      0.865759 9.90996      0.951006 3.03541  0.14261   3.13712  0.151573  
1 1 1 36 29 17 o 1.77142  0.155449  3.16281      0.550729 3.44568      0.786112 2.89015      0.771783 1.84236  0.213344  1.68541  0.22896   
1 1 1 36 29 18 o 3.49148  0.0939552 12.2293      0.656085 12.3684      0.917535 12.0837      0.938509 3.50599  0.130852  3.46465  0.135441  
1 1 1 36 29 19 f 2.3935   0.130353  5.76427      0.624002 5.51499      0.877201 6.01964      0.887839 2.33331  0.187973  2.4387   0.182031  
1 1 1 36 29 20 o 2.73652  0.121487  7.5325       0.664905 7.90904      0.952979 7.17532      0.928148 2.79615  0.170409  2.66259  0.174294  
1 1 1 36 29 21 o 1.35958  0.245289  1.95275      0.642596 2.16842      0.899347 1.7278       0.91849  1.41323  0.324804  1.25999  0.351401  
1 1 1 36 29 22 o 2.06843  0.169632  4.34086      0.701746 4.00226      0.986743 4.68737      0.998195 1.96947  0.250509  2.13566  0.233697  
1 1 1 36 29 23 o 3.10397  0.125582  9.72143      0.779605 8.81897      1.07771  10.7121      1.12915  2.9415   0.18319   3.24488  0.173989  
1 1 1 36 29 24 o 0.843484 0.318559  0.588858     0.734572 1.18444      1.02634  -0.0366592   1.05181  1.0829   0.38088   0.803674 0.349858  
1 1 1 36 29 25 o 2.60037  0.155129  6.87279      0.806786 6.60568      1.12108  7.15973      1.16195  2.52815  0.221719  2.63243  0.2207    
1 1 1 36 29 26 o 2.58839  0.155883  6.82253      0.806975 7.70311      1.15776  5.99049      1.1254   2.72955  0.212078  2.39828  0.234626  
1 1 1 36 29 27 o 1.47783  0.28412   2.39149      0.809799 2.35648      1.15511  2.42533      1.13559  1.42242  0.39317   1.4454   0.385586  
1 1 1 36 29 28 o 0.553326 0.265284  -1.04699     0.84005  -2.15699     1.20524  0.0017224    1.17149  0.596159 0.293133  0.834346 0.366164  
1 1 1 36 29 29 o 3.57829  0.126474  13.0377      0.905123 11.6363      1.24433  14.6124      1.319    3.34562  0.185965  3.75693  0.175542  
1 1 1 36 29 30 o 1.61838  0.260325  2.84491      0.842608 2.35206      1.17763  3.36191      1.20614  1.37155  0.402989  1.66909  0.371044  
1 1 1 36 29 31 o 1.04499  0.337799  1.30276      0.803508 0.877518     1.10919  1.77233      1.16557  0.951776 0.382079  1.18034  0.406774  
1 1 1 36 29 32 o 0.864161 0.333169  0.785142     0.816519 0.867017     1.1414   0.699325     1.16855  0.932304 0.382519  0.902453 0.37991   
1 1 1 36 29 33 o 1.05513  0.350412  1.45514      0.863922 1.04324      1.24275  1.84036      1.20182  0.956011 0.396473  1.13626  0.410887  
1 1 1 36 29 34 o 0.597113 0.285073  -0.661784    0.944483 -1.27406     1.4156   -0.170554    1.26797  0.668195 0.325816  0.740428 0.346193  
1 1 1 36 29 35 o 0.597251 0.286685  -0.633728    0.988412 -1.14984     1.32249  0.0193922    1.4877   0.635078 0.310748  0.767716 0.362994  
1 1 1 36 29 36 o 0.595285 0.286975  -0.54672     1.01719  1.09697      1.46818  -2.06401     1.4106   0.841968 0.385194  0.573887 0.286944  
1 1 1 36 29 37 o 0.503048 0.251182  -1.41381     1.04246  -0.075595    1.47108  -2.76367     1.47746  0.663051 0.325325  0.522496 0.26611   
1 1 1 36 30 0  o 14.4341  0.151477  208.789      4.37181  208.789      4.37181  208.789      4.37181  14.4418  0.107041  ?        ?         
1 1 1 36 30 1  o 10.1043  0.0818411 102.206      1.6539   100.686      2.2913   103.859      2.38974  10.0238  0.114293  10.1799  0.117375  
1 1 1 36 30 2  o 10.1666  0.0843131 103.477      1.71436  102.139      2.43321  104.796      2.41582  10.0946  0.120521  10.2255  0.118127  
1 1 1 36 30 3  o 4.82412  0.0722692 23.2919      0.697271 22.8119      0.979506 23.785       0.992809 4.77206  0.102629  4.87285  0.101872  
1 1 1 36 30 4  o 3.14033  0.0896775 9.87491      0.563235 10.5202      0.82551  9.31289      0.77041  3.23907  0.12743   3.04762  0.126395  
1 1 1 36 30 5  o 3.88324  0.0858036 15.0987      0.666392 14.651       0.95762  15.519       0.927923 3.82247  0.125262  3.93468  0.117916  
1 1 1 36 30 6  o 7.62079  0.0830942 58.148       1.26649  57.0859      1.77828  59.2413      1.80417  7.54613  0.117827  7.68735  0.117347  
1 1 1 36 30 7  o 1.67019  0.187792  2.80781      0.627298 4.13711      0.926749 1.68376      0.852199 2.02414  0.228924  1.26187  0.332845  
1 1 1 36 30 8  o 1.78745  0.177229  3.21453      0.633576 3.38727      0.90372  3.04755      0.888496 1.82964  0.246966  1.7347   0.256095  
1 1 1 36 30 9  o 3.15195  0.110054  9.95909      0.69377  9.11842      0.967885 10.8474      0.994952 3.01186  0.160679  3.28598  0.151394  
1 1 1 36 30 10 o 1.56434  0.195276  2.46672      0.610956 2.64545      0.848925 2.27468      0.879956 1.61492  0.262838  1.4667   0.309596  
1 1 1 36 30 11 o 5.54265  0.0873136 30.773       0.967897 29.4544      1.34097  32.207       1.39847  5.41804  0.12375   5.6656   0.123417  
1 1 1 36 30 12 o 4.68574  0.0895382 21.9982      0.839105 23.0089      1.22352  21.1006      1.15297  4.78744  0.127784  4.58489  0.125736  
1 1 1 36 30 13 o 2.96366  0.111557  8.81189      0.661236 8.42519      0.914779 9.23501      0.956899 2.89323  0.15809   3.02911  0.157951  
1 1 1 36 30 14 o 2.90653  0.121506  8.48324      0.706324 8.57782      0.950773 8.36675      1.05515  2.91793  0.162919  2.87899  0.18325   
1 1 1 36 30 15 o 3.10068  0.101049  9.64386      0.626642 9.59424      0.849962 9.70294      0.927521 3.08866  0.137594  3.10454  0.149381  
1 1 1 36 30 16 o 0.663077 0.268952  0.194679     0.557663 0.366672     0.750331 -0.0175661   0.833522 0.794723 0.316003  0.734093 0.315354  
1 1 1 36 30 17 o 1.79014  0.155148  3.23241      0.555472 3.3845       0.800564 3.09122      0.771361 1.82385  0.219471  1.74279  0.221301  
1 1 1 36 30 18 o 0.595627 0.255169  -0.0110908   0.543115 0.340921     0.78157  -0.339806    0.755265 0.798096 0.320585  0.631899 0.284423  
1 1 1 36 30 19 o 1.36195  0.220985  1.89068      0.601941 3.20788      0.867489 0.66755      0.835935 1.77019  0.245027  0.906367 0.340411  
1 1 1 36 30 20 o 2.87919  0.115015  8.33563      0.6623   7.8615       0.936145 8.81075      0.937124 2.78729  0.167931  2.95264  0.158693  
1 1 1 36 30 21 o 4.13684  0.0961102 17.1927      0.795184 17.7319      1.11218  16.6288      1.13736  4.19255  0.132638  4.058    0.140138  
1 1 1 36 30 22 f 0.849602 0.310258  0.641635     0.686706 0.170979     0.993313 1.07251      0.950406 0.826647 0.349241  1.04248  0.366535  
1 1 1 36 30 23 o 1.37486  0.262757  2.02539      0.696676 1.86593      0.985526 2.18467      0.984973 1.29505  0.364919  1.40104  0.351737  
1 1 1 36 30 24 o 1.46547  0.269788  2.31072      0.761109 2.3072       1.0013   2.31554      1.17133  1.43543  0.351184  1.4257   0.396575  
1 1 1 36 30 25 o 2.94432  0.136997  8.79015      0.806724 9.72734      1.13091  7.81916      1.15112  3.08063  0.183551  2.752    0.209143  
1 1 1 36 30 26 o 3.59181  0.125115  13.056       0.89878  11.4584      1.26715  14.6736      1.27501  3.33916  0.189741  3.78964  0.168224  
1 1 1 36 30 27 o 0.984792 0.338041  1.02162      0.80427  2.28604      1.16011  -0.14847     1.11599  1.39407  0.396925  0.79335  0.351898  
1 1 1 36 30 28 o 2.81421  0.152241  8.11065      0.856876 8.38339      1.22519  7.84952      1.19885  2.82753  0.216653  2.73452  0.219207  
1 1 1 36 30 29 o 0.735345 0.313675  0.173205     0.814549 0.449452     1.13972  -0.115219    1.16457  0.888243 0.374622  0.796377 0.355985  
1 1 1 36 30 30 o 1.59937  0.25636   2.78831      0.820031 3.07895      1.1972   2.53143      1.12552  1.57664  0.382933  1.42437  0.385641  
1 1 1 36 30 31 o 2.6883   0.162434  7.54477      0.873338 7.27329      1.21741  7.83262      1.25356  2.57892  0.23603   2.67818  0.234032  
1 1 1 36 30 32 o 0.84903  0.330786  0.74748      0.809282 0.679159     1.12127  0.82177      1.16923  0.885715 0.37247   0.921762 0.38356   
1 1 1 36 30 33 o 1.05094  0.351792  1.49519      0.87074  1.4005       1.1919   1.60355      1.27513  1.00818  0.399094  1.05147  0.413879  
1 1 1 36 30 34 o 0.656836 0.306016  -0.251766    0.97965  1.38424      1.38817  -1.87493     1.38271  0.975312 0.412494  0.61412  0.303788  
1 1 1 36 30 35 o 0.924524 0.36791   1.39941      1.01782  2.05944      1.368    0.580973     1.52334  1.02065  0.41877   0.804259 0.376834  
1 1 1 36 30 36 o 0.793462 0.345594  0.870729     1.02736  -0.352911    1.51121  1.92219      1.40086  0.699813 0.340221  0.959517 0.410392  
1 1 1 36 31 0  o 2.86396  0.127603  8.26262      0.727599 8.26262      0.727599 8.26262      0.727599 2.86925  0.0898555 ?        ?         
1 1 1 36 31 1  o 2.70896  0.0905885 7.34906      0.490802 6.84071      0.684746 7.88617      0.703845 2.61151  0.131102  2.80433  0.125492  
1 1 1 36 31 2  o 5.34924  0.0657907 28.6364      0.703861 28.651       0.985065 28.6211      1.00609  5.34862  0.0920858 5.34565  0.0941033 
1 1 1 36 31 3  o 3.83623  0.0764009 14.7322      0.586184 14.7082      0.797802 14.7603      0.864144 3.83137  0.104115  3.83752  0.112592  
1 1 1 36 31 4  o 7.06688  0.0758801 49.9937      1.07247  50.1289      1.53854  49.8659      1.49577  7.07246  0.10877   7.05427  0.106019  
1 1 1 36 31 5  o 0.732553 0.290304  0.300255     0.631296 0.852477     0.905225 -0.222625    0.880848 0.991098 0.356777  0.718921 0.316496  
1 1 1 36 31 6  o 5.09918  0.0843611 26.0379      0.860345 24.6734      1.21109  27.428       1.22241  4.96001  0.122085  5.2302   0.116861  
1 1 1 36 31 7  o 1.80772  0.174977  3.28797      0.632619 1.77541      0.888092 4.8461       0.901371 1.29392  0.339085  2.19212  0.205594  
1 1 1 36 31 8  o 4.11443  0.0913932 16.9578      0.752062 16.8276      1.07241  17.0838      1.05496  4.09493  0.130943  4.12632  0.127833  
1 1 1 36 31 9  o 4.27675  0.0873013 18.3206      0.746731 19.8212      1.07146  16.9033      1.04126  4.44522  0.120519  4.10432  0.126849  
1 1 1 36 31 10 o 2.14233  0.145496  4.61173      0.623399 4.16601      0.874261 5.07278      0.889168 2.03041  0.215292  2.24228  0.198273  
1 1 1 36 31 11 o 6.32297  0.0871646 40.0543      1.10228  39.0209      1.57295  41.0514      1.54513  6.23456  0.126148  6.39575  0.120794  
1 1 1 36 31 12 o 3.44366  0.100633  11.8908      0.693089 11.9386      0.984231 11.8438      0.97617  3.44594  0.14281   3.43231  0.142203  
1 1 1 36 31 13 o 3.22441  0.106981  10.4307      0.689902 10.0626      0.952717 10.8366      1.00036  3.16203  0.15065   3.28114  0.152442  
1 1 1 36 31 14 o 0.54014  0.250612  -0.548268    0.648445 -0.507456    0.855255 -0.60345     0.994494 0.652274 0.296958  0.699785 0.319025  
1 1 1 36 31 15 o 5.01183  0.0917751 25.1868      0.919922 26.5532      1.3718   24.0702      1.24008  5.13798  0.133496  4.89327  0.126713  
1 1 1 36 31 16 o 1.96836  0.148511  3.90496      0.584646 3.58539      0.759845 4.36868      0.91532  1.87978  0.20211   2.07207  0.220871  
1 1 1 36 31 17 o 3.29624  0.0986611 10.903       0.650421 11.1118      0.923235 10.6973      0.916471 3.32187  0.138963  3.25905  0.140604  
1 1 1 36 31 18 o 3.19069  0.103392  10.2227      0.659783 9.45773      0.941866 10.9598      0.924523 3.0613   0.153834  3.29799  0.140165  
1 1 1 36 31 19 o 1.2821   0.243735  1.73509      0.602425 1.90325      0.859486 1.5727       0.844625 1.32559  0.326018  1.20766  0.33703   
1 1 1 36 31 20 o 1.25964  0.262524  1.69786      0.639629 1.50249      0.922815 1.87852      0.88737  1.18039  0.359     1.30986  0.33688   
1 1 1 36 31 21 o 1.51768  0.219975  2.36195      0.6677   2.46865      0.958776 2.26147      0.930404 1.50253  0.328116  1.43679  0.330464  
1 1 1 36 31 22 o 2.75114  0.128313  7.64122      0.706015 7.18786      0.970291 8.15132      1.02922  2.65532  0.182707  2.8279   0.181977  
1 1 1 36 31 23 o 2.01349  0.179786  4.13588      0.723995 4.22943      1.07762  4.05892      0.977457 2.01153  0.267862  1.97692  0.247217  
1 1 1 36 31 24 o 3.30766  0.126334  11.0635      0.835744 10.9569      1.13955  11.1876      1.2294   3.27548  0.173951  3.30486  0.185999  
1 1 1 36 31 25 o 0.950136 0.324927  0.927574     0.742827 1.1044       1.04307  0.74561      1.05812  1.05305  0.382593  0.962817 0.377597  
1 1 1 36 31 26 o 0.653039 0.293719  -0.275146    0.803946 0.18159      1.18944  -0.659299    1.09085  0.875616 0.376451  0.709692 0.327654  
1 1 1 36 31 27 o 2.21137  0.187782  5.05125      0.830511 4.16959      1.20211  5.85639      1.14875  1.95762  0.307032  2.3555   0.243845  
1 1 1 36 31 28 o 0.678175 0.299971  -0.0933624   0.803355 -0.226855    1.111    0.052921     1.16301  0.765477 0.344732  0.82717  0.363913  
1 1 1 36 31 29 o 2.20752  0.198415  5.11723      0.876009 5.51294      1.26863  4.75659      1.2111   2.2359   0.283695  2.07085  0.292416  
1 1 1 36 31 30 o 1.16157  0.32578   1.62112      0.787257 2.16642      1.11109  1.07137      1.11562  1.30071  0.393591  0.997882 0.388461  
1 1 1 36 31 31 o 1.44376  0.297993  2.47908      0.831103 1.71107      1.17877  3.23825      1.17197  1.13492  0.407271  1.58353  0.375302  
1 1 1 36 31 32 o 0.89153  0.334713  0.923318     0.808034 -0.397896    1.09932  2.47599      1.19173  0.696478 0.324362  1.31873  0.409374  
1 1 1 36 31 33 o 0.656938 0.302142  -0.158394    0.916716 -1.06309     1.24193  0.924607     1.35881  0.64404  0.311777  0.908108 0.39647   
1 1 1 36 31 34 o 0.705292 0.322618  0.0763572    1.02948  1.17471      1.43584  -1.08559     1.47682  0.9192   0.404377  0.680164 0.331856  
1 1 1 36 31 35 o 0.860406 0.351547  1.18184      0.960024 0.899793     1.35553  1.46568      1.35984  0.813034 0.371192  0.893165 0.393223  
1 1 1 36 31 36 o 0.747692 0.337666  0.792621     1.07336  0.425801     1.5479   1.13238      1.4897   0.728639 0.351921  0.793088 0.371788  
1 1 1 36 32 0  o 3.16788  0.116572  10.0892      0.736303 10.0892      0.736303 10.0892      0.736303 3.17214  0.08219   ?        ?         
1 1 1 36 32 1  o 3.29896  0.0791995 10.8963      0.522552 10.7743      0.733906 11.0217      0.744203 3.27847  0.111928  3.31588  0.112218  
1 1 1 36 32 2  o 5.15964  0.0680316 26.6459      0.702037 26.8995      0.973565 26.3711      1.01329  5.18203  0.0939366 5.13042  0.0987528 
1 1 1 36 32 3  o 4.83088  0.072911  23.3619      0.704448 22.9585      1.0004   23.7587      0.992133 4.78635  0.104505  4.86931  0.101876  
1 1 1 36 32 4  f 4.5701   0.0753922 20.9096      0.689099 22.2892      1.02767  19.7825      0.928869 4.71556  0.108966  4.44291  0.104534  
1 1 1 36 32 5  o 4.68577  0.0893465 21.9921      0.837313 22.6854      1.21102  21.3571      1.15898  4.75511  0.127338  4.614    0.125593  
1 1 1 36 32 6  o 5.14458  0.0845039 26.506       0.869473 26.0448      1.24617  26.9435      1.21372  5.09554  0.12228   5.18338  0.117078  
1 1 1 36 32 7  o 6.59573  0.0804464 43.5639      1.06121  41.9075      1.47318  45.3504      1.52997  6.46469  0.113941  6.72504  0.113752  
1 1 1 36 32 8  o 2.03015  0.155653  4.1439       0.631999 3.97676      0.903558 4.304        0.884315 1.98272  0.227858  2.06406  0.214217  
1 1 1 36 32 9  o 5.14898  0.083643  26.5559      0.861353 27.4155      1.2308   25.7309      1.20585  5.22742  0.117726  5.06408  0.119059  
1 1 1 36 32 10 o 3.07333  0.108416  9.47348      0.666398 9.38889      0.941367 9.55846      0.943494 3.05499  0.15407   3.08258  0.153036  
1 1 1 36 32 11 o 3.94712  0.0939872 15.6175      0.741956 15.6142      1.0466   15.6208      1.05199  3.94205  0.132748  3.94279  0.133407  
1 1 1 36 32 12 o 3.10698  0.110763  9.68749      0.688275 9.04457      0.950719 10.3955      0.997716 2.99664  0.158631  3.21314  0.155256  
1 1 1 36 32 13 o 1.10338  0.285147  1.29428      0.633617 1.78545      0.891286 0.792424     0.900932 1.29022  0.340424  0.965354 0.355094  
1 1 1 36 32 14 o 2.95231  0.125713  8.7609       0.742287 8.95513      1.00036  8.52294      1.10727  2.97871  0.167919  2.90206  0.190772  
1 1 1 36 32 15 o 0.799548 0.296093  0.525718     0.628046 -0.0929131   0.868463 1.20394      0.909329 0.732377 0.318349  1.09012  0.359502  
1 1 1 36 32 16 o 4.70053  0.0914819 22.1612      0.860027 22.1694      1.19182  22.1522      1.24227  4.69479  0.12693   4.69177  0.132388  
1 1 1 36 32 17 o 0.843333 0.300932  0.640743     0.642773 1.76774      0.872395 -0.697588    0.950679 1.27871  0.336526  0.6635   0.306157  
1 1 1 36 32 18 o 2.81931  0.109923  7.98704      0.619815 7.34514      0.886904 8.59982      0.866551 2.69546  0.164518  2.91956  0.148404  
1 1 1 36 32 19 o 3.54038  0.0979915 12.5916      0.693855 12.1632      1.01061  12.9736      0.954327 3.47018  0.145613  3.58688  0.13303   
1 1 1 36 32 20 o 4.83554  0.0887638 23.4763      0.858442 22.3067      1.1977   24.712       1.23103  4.70358  0.127318  4.95163  0.124306  
1 1 1 36 32 21 o 2.29355  0.144137  5.3229       0.66117  5.36343      0.949132 5.28469      0.921549 2.2878   0.207433  2.27216  0.202792  
1 1 1 36 32 22 o 3.88577  0.102057  15.1949      0.79314  16.9005      1.12753  13.5243      1.1159   4.08728  0.137932  3.65153  0.152799  
1 1 1 36 32 23 o 1.74091  0.210668  3.1207       0.733507 4.0698       1.05191  2.22244      1.02335  1.97091  0.266858  1.40423  0.362138  
1 1 1 36 32 24 o 1.44458  0.273786  2.26502      0.762311 2.84704      1.04308  1.59778      1.11684  1.5953   0.337319  1.20133  0.398416  
1 1 1 36 32 25 o 0.603498 0.276561  -0.455799    0.7604   0.307717     1.04967  -1.29896     1.10306  0.861602 0.361264  0.639632 0.306016  
1 1 1 36 32 26 o 0.851243 0.32926   0.595614     0.798831 -1.07444     1.17858  2.01482      1.08647  0.688742 0.324754  1.31519  0.387283  
1 1 1 36 32 27 o 1.89069  0.209289  3.7405       0.791398 4.3894       1.13684  3.13036      1.10236  2.01197  0.28252   1.64474  0.346032  
1 1 1 36 32 28 o 3.39255  0.136244  11.7715      0.924432 10.4825      1.27995  13.177       1.33658  3.15939  0.202562  3.55401  0.188038  
1 1 1 36 32 29 o 2.1466   0.193199  4.8446       0.829441 5.33912      1.20275  4.39615      1.14536  2.20001  0.273351  1.98584  0.288382  
1 1 1 36 32 30 o 1.3887   0.307505  2.2931       0.831395 3.72662      1.2126   1.02141      1.1421   1.73089  0.362004  0.977626 0.38951   
1 1 1 36 32 31 o 0.842361 0.33269   0.710976     0.826508 0.779848     1.1166   0.627511     1.22922  0.906171 0.375809  0.894624 0.383591  
1 1 1 36 32 32 o 1.86323  0.248074  3.9824       0.924435 4.32426      1.29177  3.62354      1.3235   1.79082  0.372961  1.57722  0.41423   
1 1 1 36 32 33 o 1.21204  0.383316  2.19411      1.03879  2.21321      1.34151  2.16549      1.64168  1.15083  0.431431  1.10456  0.456736  
1 1 1 36 32 34 o 0.591036 0.284085  -0.586796    0.978761 -0.836455    1.3939   -0.343986    1.37465  0.661983 0.32288   0.700509 0.336696  
1 1 1 36 32 35 o 0.698534 0.317326  0.317859     0.965002 0.431054     1.36888  0.20603      1.36059  0.763356 0.357588  0.73845  0.348408  
1 1 1 36 33 0  o 2.33698  0.144821  5.53577      0.670933 5.53577      0.670933 5.53577      0.670933 2.34502  0.101589  ?        ?         
1 1 1 36 33 1  o 4.9811   0.066837  24.8343      0.665844 24.255       0.931844 25.4386      0.951763 4.92041  0.0946917 5.03906  0.0944386 
1 1 1 36 33 2  o 6.60045  0.0681351 43.6079      0.899444 45.0264      1.29944  42.3032      1.24624  6.70368  0.0969201 6.49792  0.0958951 
1 1 1 36 33 3  o 6.67902  0.0792149 44.6681      1.05816  45.4972      1.59871  44.0216      1.41161  6.73529  0.118681  6.62706  0.106504  
1 1 1 36 33 4  o 0.48464  0.224955  -0.456133    0.523163 -1.00974     0.745343 0.0814929    0.734506 0.525468 0.251434  0.717471 0.301579  
1 1 1 36 33 5  o 4.85689  0.0876181 23.629       0.851102 22.6593      1.20456  24.5957      1.20272  4.75189  0.126746  4.95147  0.121451  
1 1 1 36 33 6  o 7.04218  0.0864912 49.6763      1.21817  49.0302      1.77658  50.2496      1.67355  6.98943  0.12709   7.07755  0.11823   
1 1 1 36 33 7  o 2.14248  0.146356  4.61342      0.627127 3.4088       0.874674 5.88777      0.899636 1.83404  0.238456  2.41662  0.186135  
1 1 1 36 33 8  o 2.72904  0.121421  7.47497      0.662723 7.73761      0.948459 7.22441      0.926394 2.77161  0.171103  2.6779   0.17297   
1 1 1 36 33 9  o 3.09872  0.107869  9.63169      0.668514 10.8583      0.954608 8.45122      0.936497 3.28607  0.145251  2.89715  0.161623  
1 1 1 36 33 10 o 5.83535  0.0909496 34.1302      1.06144  34.3766      1.52031  33.8959      1.48261  5.84944  0.129954  5.80888  0.127616  
1 1 1 36 33 11 o 2.15154  0.148589  4.65914      0.63939  5.94994      0.904898 3.37212      0.90357  2.42698  0.186425  1.82005  0.248227  
1 1 1 36 33 12 o 4.36591  0.0939274 19.1132      0.820158 18.8874      1.12278  19.3715      1.20092  4.3347   0.129511  4.38858  0.136823  
1 1 1 36 33 13 o 1.66538  0.200886  2.8103       0.669101 2.55168      0.909488 3.11543      0.987867 1.549    0.304421  1.74187  0.283565  
1 1 1 36 33 14 o 1.46936  0.220044  2.19653      0.646648 2.87677      0.897302 1.46153      0.932723 1.67456  0.267922  1.17681  0.361532  
1 1 1 36 33 15 o 1.85816  0.180224  3.49292      0.669769 3.60276      0.924874 3.37178      0.971217 1.87762  0.246289  1.81288  0.267866  
1 1 1 36 33 16 o 3.48088  0.121844  12.185       0.84825  13.6653      1.26171  10.9641      1.14585  3.67603  0.171613  3.29221  0.174025  
1 1 1 36 33 17 o 5.25129  0.0914938 27.6684      0.960921 27.8465      1.3974   27.5087      1.32351  5.2583   0.132875  5.22802  0.126578  
1 1 1 36 33 18 o 1.71192  0.171394  2.97014      0.586823 2.87783      0.871191 3.04681      0.793962 1.67057  0.260747  1.72468  0.230176  
1 1 1 36 33 19 o 6.48708  0.0928598 42.2658      1.20478  43.2557      1.74279  41.3598      1.66734  6.54765  0.133085  6.40377  0.130184  
1 1 1 36 33 20 o 0.584175 0.259559  -0.189913    0.610638 0.643277     0.879752 -0.96451     0.848254 0.902196 0.3463    0.574873 0.272889  
1 1 1 36 33 21 o 3.74737  0.100084  14.1267      0.750107 14.5146      1.0504   13.7229      1.07154  3.7881   0.138644  3.68121  0.145542  
1 1 1 36 33 22 o 1.33639  0.258741  1.91878      0.666876 1.51706      0.931677 2.34083      0.954964 1.17419  0.361451  1.45173  0.3354    
1 1 1 36 33 23 o 2.88135  0.138308  8.41935      0.79703  9.38483      1.1302   7.46416      1.12416  3.02492  0.186815  2.68923  0.209012  
1 1 1 36 33 24 o 0.790196 0.313755  0.4254       0.738728 0.12959      0.990061 0.796927     1.10956  0.806308 0.344942  0.986531 0.386713  
1 1 1 36 33 25 o 1.99329  0.205437  4.11962      0.818992 4.42827      1.16701  3.82007      1.14965  2.03277  0.287048  1.87955  0.305831  
1 1 1 36 33 26 o 1.67412  0.243851  2.96455      0.816472 3.09978      1.19016  2.84433      1.12217  1.62803  0.373288  1.56235  0.365298  
1 1 1 36 33 27 o 2.93066  0.144575  8.79806      0.847402 9.29699      1.19167  8.28768      1.20527  2.98042  0.199916  2.8043   0.214896  
1 1 1 36 33 28 o 2.03151  0.204242  4.34841      0.829839 4.80962      1.186    3.90603      1.16152  2.08704  0.284134  1.83476  0.328406  
1 1 1 36 33 29 o 3.52254  0.129873  12.7277      0.914968 12.8393      1.32056  12.6246      1.2689   3.4893   0.18923   3.46574  0.183064  
1 1 1 36 33 30 o 1.005    0.346351  1.23802      0.845018 1.4155       1.19769  1.06211      1.1924   1.06041  0.404918  0.980227 0.395051  
1 1 1 36 33 31 o 2.32473  0.19913   5.85203      0.925846 5.7185       1.28358  5.99685      1.33673  2.20377  0.291223  2.24991  0.297063  
1 1 1 36 33 32 o 0.983354 0.359335  1.33316      0.921264 1.24275      1.28057  1.43014      1.32636  0.961057 0.400753  0.997767 0.411363  
1 1 1 36 33 33 o 0.702716 0.320475  0.0651286    1.00551  -1.90872     1.47175  1.79294      1.37697  0.626796 0.310871  1.03512  0.421659  
1 1 1 36 33 34 o 0.744867 0.329345  0.59673      0.967139 -0.184949    1.34695  1.4286       1.38952  0.69682  0.334524  0.89207  0.394555  
1 1 1 36 33 35 o 0.50415  0.250998  -1.46643     1.0044   -1.21926     1.45805  -1.68965     1.38559  0.616537 0.30632   0.576166 0.287959  
1 1 1 36 34 0  o 7.83001  0.101977  61.4114      1.59636  61.4114      1.59636  61.4114      1.59636  7.83329  0.0720649 ?        ?         
1 1 1 36 34 1  o 3.92088  0.0722767 15.3913      0.566776 16.2733      0.800892 14.5063      0.802193 4.02958  0.0993765 3.804    0.105441  
1 1 1 36 34 2  o 7.12739  0.0695223 50.8552      0.991024 52.0442      1.4281   49.7508      1.37637  7.2062   0.0990881 7.04585  0.0976726 
1 1 1 36 34 3  o 6.60867  0.0763226 43.733       1.00878  44.0951      1.45077  43.394       1.40366  6.63133  0.109388  6.57884  0.10668   
1 1 1 36 34 4  o 1.69808  0.182311  2.906        0.619156 3.27298      0.875806 2.53933      0.875433 1.79665  0.243733  1.55391  0.292423  
1 1 1 36 34 5  o 1.78584  0.187898  3.2165       0.67111  3.72254      0.977997 2.76616      0.92261  1.91433  0.255441  1.62205  0.295322  
1 1 1 36 34 6  o 4.83717  0.0864903 23.4424      0.836738 23.4766      1.17936  23.4078      1.18733  4.83624  0.12193   4.829    0.122938  
1 1 1 36 34 7  o 3.46803  0.100901  12.0597      0.699857 11.9561      0.998877 12.1595      0.980862 3.44826  0.144838  3.47797  0.141011  
1 1 1 36 34 8  o 4.00515  0.0938599 16.0805      0.751846 17.0714      1.06223  15.0858      1.06432  4.12234  0.128838  3.87399  0.137367  
1 1 1 36 34 9  o 2.32166  0.137874  5.41964      0.640195 4.31017      0.888387 6.6182       0.92337  2.06245  0.215372  2.5607   0.180296  
1 1 1 36 34 10 o 3.40157  0.106812  11.6104      0.72666  12.1009      1.01584  11.0963      1.03988  3.46751  0.146481  3.31894  0.156659  
1 1 1 36 34 11 o 2.22765  0.150438  4.99782      0.670248 5.37848      0.945073 4.61261      0.950699 2.30379  0.205112  2.1309   0.223074  
1 1 1 36 34 12 o 2.02679  0.160843  4.14358      0.651991 4.38569      0.911604 3.89005      0.932872 2.07728  0.219423  1.95349  0.238771  
1 1 1 36 34 13 o 1.62005  0.205883  2.66475      0.66708  2.84111      0.914773 2.46446      0.974879 1.66287  0.275058  1.51227  0.331389  
1 1 1 36 34 14 o 1.55107  0.208215  2.44313      0.645911 2.26494      0.90621  2.62713      0.920877 1.45134  0.32076   1.57052  0.304028  
1 1 1 36 34 15 o 3.41182  0.116508  11.7008      0.79501  11.5668      1.12025  11.8368      1.12842  3.3833   0.165556  3.42271  0.164843  
1 1 1 36 34 16 o 2.2511   0.180851  5.13373      0.81423  3.67525      1.2508   6.20626      1.07261  1.84504  0.3516    2.46789  0.217314  
1 1 1 36 34 17 o 3.40794  0.112058  11.6796      0.763772 12.2279      1.11555  11.1958      1.04789  3.47675  0.16043   3.32749  0.15746   
1 1 1 36 34 18 o 2.38797  0.125574  5.7477       0.599732 6.23929      0.851098 5.26286      0.845231 2.47957  0.171622  2.27444  0.185811  
1 1 1 36 34 19 o 4.61834  0.093564  21.4316      0.864222 21.329       1.16493  21.5572      1.28883  4.59804  0.126676  4.61827  0.139537  
1 1 1 36 34 20 o 3.61261  0.101649  13.1302      0.734433 13.0905      1.04136  13.1696      1.03595  3.59595  0.144796  3.60717  0.143596  
1 1 1 36 34 21 o 1.33768  0.251023  1.91433      0.646816 1.28191      0.896691 2.60035      0.933916 1.09549  0.356996  1.54078  0.313951  
1 1 1 36 34 22 o 1.69761  0.201456  2.96451      0.683988 2.84032      0.951382 3.09738      0.984056 1.61067  0.306384  1.68462  0.303112  
1 1 1 36 34 23 o 0.656849 0.287608  -0.0802101   0.719365 -0.169953    0.984796 0.0224584    1.05333  0.74863  0.331503  0.80789  0.350876  
1 1 1 36 34 24 o 3.53697  0.126199  12.6725      0.892724 11.4604      1.28407  13.8065      1.24199  3.3354   0.192491  3.67323  0.169059  
1 1 1 36 34 25 o 1.69804  0.236988  3.02769      0.804831 2.67093      1.18841  3.32995      1.09387  1.50658  0.391062  1.72142  0.329473  
1 1 1 36 34 26 o 1.31117  0.307913  1.96179      0.794561 1.25422      1.12009  2.6785       1.1273   1.07679  0.39595   1.49702  0.376571  
1 1 1 36 34 27 o 2.88262  0.147927  8.53457      0.852834 8.51246      1.22683  8.55525      1.18637  2.83675  0.216238  2.84958  0.208165  
1 1 1 36 34 28 o 1.30189  0.306257  1.97989      0.784985 2.85515      1.10701  1.09466      1.11329  1.52647  0.366654  1.01088  0.389178  
1 1 1 36 34 29 o 1.50265  0.28935   2.63079      0.838548 1.63189      1.21918  3.52757      1.15518  1.12603  0.413186  1.6887   0.353442  
1 1 1 36 34 30 o 0.970374 0.349435  1.14102      0.868419 1.64477      1.19268  0.572573     1.26694  1.11007  0.408541  0.891204 0.385903  
1 1 1 36 34 31 o 1.05092  0.357826  1.49739      0.900868 2.46926      1.23952  0.409225     1.31158  1.27647  0.419727  0.841914 0.377024  
1 1 1 36 34 32 o 0.724672 0.322062  0.237392     0.940889 1.76575      1.29955  -1.44636     1.36402  1.05614  0.417155  0.641271 0.314201  
1 1 1 36 34 33 o 0.588228 0.282553  -0.585619    0.96437  -0.432463    1.36418  -0.738618    1.36347  0.692355 0.333418  0.666021 0.323595  
1 1 1 36 34 34 o 0.510807 0.254042  -1.54971     1.01544  -2.11146     1.44384  -0.999932    1.42838  0.580199 0.2901    0.6446   0.317519  
1 1 1 36 34 35 o 0.683899 0.316895  0.501112     1.03244  0.750889     1.47879  0.263575     1.4421   0.729057 0.350125  0.685998 0.333142  
1 1 1 36 35 0  o 5.06993  0.0950995 25.7602      0.963531 25.7602      0.963531 25.7602      0.963531 5.0727   0.067182  ?        ?         
1 1 1 36 35 1  o 3.39305  0.0790244 11.5308      0.536268 11.4366      0.758551 11.6248      0.758244 3.37651  0.112328  3.40427  0.111367  
1 1 1 36 35 2  o 2.07864  0.107922  4.33346      0.448661 3.99026      0.634504 4.67666      0.634499 1.99121  0.159326  2.1567   0.1471    
1 1 1 36 35 3  o 3.36939  0.0794531 11.3712      0.535418 11.7503      0.737608 10.949       0.77843  3.4228   0.107749  3.30307  0.117834  
1 1 1 36 35 4  o 4.1216   0.0895811 17.0235      0.738434 17.3211      1.05135  16.7339      1.03739  4.15314  0.126573  4.08207  0.127067  
1 1 1 36 35 5  o 3.49994  0.105077  12.2866      0.735528 11.3023      1.04752  13.2437      1.03302  3.35082  0.156308  3.62925  0.142318  
1 1 1 36 35 6  o 3.08058  0.112183  9.52344      0.691175 9.14855      0.957246 9.93177      0.999031 3.01411  0.158794  3.14044  0.159059  
1 1 1 36 35 7  o 4.64351  0.0925769 21.6155      0.859764 19.7274      1.21767  23.4927      1.21412  4.42958  0.137448  4.83602  0.125528  
1 1 1 36 35 8  o 1.58597  0.200839  2.54555      0.637048 2.31433      0.879974 2.80017      0.923441 1.47438  0.308403  1.62897  0.294216  
1 1 1 36 35 9  o 1.72915  0.188278  3.0228       0.651122 3.23326      0.904412 2.79633      0.938166 1.78035  0.253999  1.62558  0.299818  
1 1 1 36 35 10 o 6.92305  0.0901332 48.0547      1.24799  46.4405      1.74722  49.7361      1.78319  6.7963   0.128542  7.03384  0.126758  
1 1 1 36 35 11 o 2.96584  0.121898  8.84146      0.723058 9.00387      1.02946  8.68334      1.01579  2.98519  0.172429  2.93143  0.173258  
1 1 1 36 35 12 o 4.25143  0.0981318 18.1374      0.834401 17.3156      1.18687  18.9405      1.17329  4.14583  0.14314   4.33771  0.135243  
1 1 1 36 35 13 o 5.01715  0.0924785 25.2486      0.927957 26.0255      1.31606  24.4805      1.30863  5.08618  0.129376  4.93213  0.132664  
1 1 1 36 35 14 o 4.04589  0.106888  16.4412      0.864915 16.2711      1.21355  16.6169      1.23303  4.01608  0.151087  4.05835  0.151913  
1 1 1 36 35 15 o 1.38027  0.283465  2.03323      0.755643 2.79577      1.09725  1.34533      1.04216  1.60368  0.351704  1.14924  0.384866  
1 1 1 36 35 16 f 1.74028  0.204004  3.085        0.71005  2.64301      1.00198  3.53086      1.00636  1.56066  0.331059  1.84858  0.272198  
1 1 1 36 35 17 o 1.45814  0.23879   2.18715      0.69638  1.58138      1.00383  2.74913      0.966874 1.21017  0.375725  1.59478  0.314331  
1 1 1 36 35 18 o 0.774943 0.293273  0.475944     0.623647 0.592101     0.842911 0.33545      0.927015 0.878654 0.338562  0.840491 0.344769  
1 1 1 36 35 19 o 1.1393   0.272784  1.40574      0.614257 1.15806      0.864436 1.65835      0.873009 1.05448  0.350516  1.22659  0.342756  
1 1 1 36 35 20 o 2.59735  0.127365  6.81407      0.661624 6.85957      0.924441 6.76628      0.947335 2.5934   0.17823   2.57405  0.184017  
1 1 1 36 35 21 o 2.00034  0.163292  4.07422      0.65328  4.53102      0.93684  3.64186      0.911439 2.09312  0.22379   1.87083  0.243592  
1 1 1 36 35 22 o 1.38875  0.261732  2.08445      0.700337 0.977629     0.951814 3.39107      1.03416  1.00258  0.365353  1.78623  0.289481  
1 1 1 36 35 23 o 1.78617  0.216266  3.30544      0.772575 4.15979      1.10767  2.49609      1.07811  1.98065  0.279622  1.47791  0.366155  
1 1 1 36 35 24 o 2.38975  0.167969  5.85255      0.802808 7.3021       1.14448  4.4484       1.12642  2.64845  0.216067  2.04196  0.275818  
1 1 1 36 35 25 o 1.96734  0.21636   4.05658      0.851309 3.12352      1.26027  4.83966      1.15453  1.61623  0.393103  2.12116  0.272148  
1 1 1 36 35 26 o 1.53238  0.275988  2.62083      0.814983 2.01054      1.14567  3.24602      1.15957  1.28018  0.402186  1.65393  0.360555  
1 1 1 36 35 27 o 0.802863 0.318744  0.522942     0.762317 -0.072408    1.0825   1.10867      1.07371  0.772973 0.344428  1.0167   0.384796  
1 1 1 36 35 28 o 1.90795  0.226765  3.93161      0.865312 4.45582      1.20993  3.38278      1.23803  1.97106  0.306924  1.63607  0.384442  
1 1 1 36 35 29 o 0.971833 0.349129  1.13292      0.866442 2.48235      1.20644  -0.304497    1.24515  1.34506  0.410755  0.760408 0.350685  
1 1 1 36 35 30 o 0.800864 0.328214  0.576162     0.839357 0.786019     1.19289  0.370377     1.18126  0.903714 0.382305  0.828835 0.365546  
1 1 1 36 35 31 o 0.735395 0.320863  0.331974     0.888811 0.25165      1.23145  0.41932      1.28414  0.791036 0.359114  0.823549 0.370768  
1 1 1 36 35 32 o 0.619456 0.292518  -0.463975    0.963078 -0.465898    1.34592  -0.461957    1.37867  0.712868 0.340329  0.719792 0.343827  
1 1 1 36 35 33 o 0.922785 0.36965   1.45098      1.03505  1.4025       1.47305  1.49827      1.45468  0.88756  0.398459  0.901708 0.400634  
1 1 1 36 35 34 o 0.800642 0.347726  0.972813     1.03448  2.16494      1.46573  -0.210404    1.46024  0.968286 0.417119  0.693126 0.336173  
1 1 1 36 36 0  o 2.29765  0.220377  5.45769      0.991298 5.45769      0.991298 5.45769      0.991298 2.31755  0.15275   ?        ?         
1 1 1 36 36 1  o 0.57426  0.333528  0.425066     0.616593 0.425066     0.616593 0.425066     0.616593 0.540885 0.292508  ?        ?         
1 1 1 36 36 2  o 3.15418  0.111552  10.0034      0.701716 10.0034      0.701716 10.0034      0.701716 3.15852  0.0786577 ?        ?         
1 1 1 36 36 3  o 2.40535  0.139759  5.85989      0.667143 5.85989      0.667143 5.85989      0.667143 2.41313  0.0981131 ?        ?         
1 1 1 36 36 4  o 2.58792  0.177768  6.82155      0.91013  6.82155      0.91013  6.82155      0.91013  2.60008  0.124407  ?        ?         
1 1 1 36 36 5  o 0.859257 0.435329  1.12149      0.922371 1.12149      0.922371 1.12149      0.922371 0.88531  0.36995   ?        ?         
1 1 1 36 36 6  o 2.14103  0.21847   4.75703      0.913178 4.75703      0.913178 4.75703      0.913178 2.16177  0.151042  ?        ?         
1 1 1 36 36 7  o 3.16462  0.161438  10.1328      1.01571  10.1328      1.01571  10.1328      1.01571  3.17398  0.11347   ?        ?         
1 1 1 36 36 8  o 4.69812  0.14126   22.2027      1.3246   22.2027      1.3246   22.2027      1.3246   4.70501  0.0996363 ?        ?         
1 1 1 36 36 9  o 4.08915  0.15724   16.8647      1.28164  16.8647      1.28164  16.8647      1.28164  4.0979   0.110759  ?        ?         
1 1 1 36 36 10 o 8.02122  0.1479    64.6585      2.37086  64.6585      2.37086  64.6585      2.37086  8.03111  0.104412  ?        ?         
1 1 1 36 36 11 o 4.03921  0.167024  16.4798      1.34405  16.4798      1.34405  16.4798      1.34405  4.04939  0.117573  ?        ?         
1 1 1 36 36 12 o 4.86567  0.135112  23.808       1.31252  23.808       1.31252  23.808       1.31252  4.87248  0.0953206 ?        ?         
1 1 1 36 36 13 f 3.73624  0.155239  14.0971      1.15547  14.0971      1.15547  14.0971      1.15547  3.74548  0.109281  ?        ?         
1 1 1 36 36 14 o 8.25281  0.174971  68.6181      2.88507  68.6181      2.88507  68.6181      2.88507  8.26812  0.123431  ?        ?         
1 1 1 36 36 15 o 0.699694 0.411773  0.632302     0.959781 0.632302     0.959781 0.632302     0.959781 0.657315 0.362086  ?        ?         
1 1 1 36 36 16 o 1.5933   0.363199  2.96427      1.00694  2.96427      1.00694  2.96427      1.00694  1.66957  0.221986  ?        ?         
1 1 1 36 36 17 o 0.735117 0.43237   0.716972     1.05724  0.716972     1.05724  0.716972     1.05724  0.694112 0.380813  ?        ?         
1 1 1 36 36 18 o 2.12373  0.2725    4.81922      1.11468  4.81922      1.11468  4.81922      1.11468  2.1614   0.185477  ?        ?         
1 1 1 36 36 19 o 0.51403  0.335724  0.00821637   0.817494 0.00821637   0.817494 0.00821637   0.817494 0.435279 0.283489  ?        ?         
1 1 1 36 36 20 o 2.7606   0.172461  7.78407      0.943676 7.78407      0.943676 7.78407      0.943676 2.77547  0.12073   ?        ?         
1 1 1 36 36 21 o 0.877916 0.434238  1.21643      0.90828  1.21643      0.90828  1.21643      0.90828  0.925417 0.363541  ?        ?         
1 1 1 36 36 22 f 2.3369   0.234889  5.73491      1.07239  5.73491      1.07239  5.73491      1.07239  2.36675  0.161938  ?        ?         
1 1 1 36 36 23 o 2.53088  0.210111  6.65648      1.04667  6.65648      1.04667  6.65648      1.04667  2.55603  0.145863  ?        ?         
1 1 1 36 36 24 o 2.0534   0.271091  4.56991      1.06998  4.56991      1.06998  4.56991      1.06998  2.09792  0.183551  ?        ?         
1 1 1 36 36 25 o 2.08308  0.310785  4.82667      1.20839  4.82667      1.20839  4.82667      1.20839  2.1445   0.203427  ?        ?         
1 1 1 36 36 26 o 1.16847  0.500677  2.16619      1.18842  2.16619      1.18842  2.16619      1.18842  1.29865  0.37351   ?        ?         
1 1 1 36 36 27 o 0.51272  0.355227  -0.543714    1.17039  -0.543714    1.17039  -0.543714    1.17039  0.417699 0.290724  ?        ?         
1 1 1 36 36 28 o 2.47092  0.270494  6.69018      1.30017  6.69018      1.30017  6.69018      1.30017  2.53069  0.183873  ?        ?         
1 1 1 36 36 29 o 0.630852 0.4101    0.330893     1.20304  0.330893     1.20304  0.330893     1.20304  0.566782 0.358635  ?        ?         
1 1 1 36 36 30 o 0.636954 0.414892  0.426479     1.23863  0.426479     1.23863  0.426479     1.23863  0.582654 0.366622  ?        ?         
1 1 1 36 36 31 o 0.654422 0.431718  0.488146     1.3942   0.488146     1.3942   0.488146     1.3942   0.604256 0.384112  ?        ?         
1 1 1 36 36 32 o 0.8185   0.491153  1.61961      1.41007  1.61961      1.41007  1.61961      1.41007  0.891884 0.452444  ?        ?         
1 1 1 36 36 33 o 0.513545 0.364244  -0.54512     1.44065  -0.54512     1.44065  -0.54512     1.44065  0.437797 0.309542  ?        ?         
1 1 1 36 36 34 o 0.703695 0.455992  1.44623      1.47193  1.44623      1.47193  1.44623      1.47193  0.752481 0.434986  ?        ?         
1 1 1 37 0  0  o 9.74788  0.150173  95.1052      2.92616  95.1052      2.92616  95.1052      2.92616  9.75003  0.106136  ?        ?         
1 1 1 37 0  1  o 13.6956  0.143276  187.66       3.92353  187.66       3.92353  187.66       3.92353  13.6972  0.101287  ?        ?         
1 1 1 37 0  2  o 20.1906  0.205408  407.922      8.29269  407.922      8.29269  407.922      8.29269  20.1938  0.145205  ?        ?         
1 1 1 37 0  3  o 13.2095  0.142315  174.579      3.75884  174.579      3.75884  174.579      3.75884  13.2111  0.100606  ?        ?         
1 1 1 37 0  4  o 22.3108  0.220442  498.119      9.83433  498.119      9.83433  498.119      9.83433  22.3147  0.155832  ?        ?         
1 1 1 37 0  5  o 8.52373  0.103831  72.693       1.76946  72.693       1.76946  72.693       1.76946  8.52487  0.0733975 ?        ?         
1 1 1 37 0  6  o 34.1836  0.335151  1170.05      22.9084  1170.05      22.9084  1170.05      22.9084  34.1947  0.236885  ?        ?         
1 1 1 37 0  7  o 3.63905  0.0959219 13.2714      0.697032 13.2714      0.697032 13.2714      0.697032 3.64103  0.0677365 ?        ?         
1 1 1 37 0  8  o 12.5741  0.12672   158.182      3.18604  158.182      3.18604  158.182      3.18604  12.5756  0.0895837 ?        ?         
1 1 1 37 0  9  o 8.39491  0.102926  70.514       1.72752  70.514       1.72752  70.514       1.72752  8.39608  0.0727572 ?        ?         
1 1 1 37 0  10 o 3.93754  0.105633  15.5396      0.830518 15.5396      0.830518 15.5396      0.830518 3.93979  0.0745903 ?        ?         
1 1 1 37 0  11 o 2.28433  0.182522  5.31933      0.821633 5.31933      0.821633 5.31933      0.821633 2.2956   0.12744   ?        ?         
1 1 1 37 0  12 o 23.7156  0.25458   563.07       12.0719  563.07       12.0719  563.07       12.0719  23.7223  0.179941  ?        ?         
1 1 1 37 0  13 o 11.2882  0.136384  127.511      3.07805  127.511      3.07805  127.511      3.07805  11.2901  0.0964059 ?        ?         
1 1 1 37 0  14 o 7.77936  0.113126  60.5682      1.75926  60.5682      1.75926  60.5682      1.75926  7.78096  0.0799569 ?        ?         
1 1 1 37 0  15 o 2.60873  0.187552  6.91431      0.966923 6.91431      0.966923 6.91431      0.966923 2.61931  0.131267  ?        ?         
1 1 1 37 0  16 o 7.62842  0.121587  58.2545      1.85397  58.2545      1.85397  58.2545      1.85397  7.63044  0.0859275 ?        ?         
1 1 1 37 0  17 o 12.2791  0.13696   150.901      3.36256  150.901      3.36256  150.901      3.36256  12.2816  0.096812  ?        ?         
1 1 1 37 0  18 o 5.44518  0.118124  29.7033      1.28504  29.7033      1.28504  29.7033      1.28504  5.44763  0.0834439 ?        ?         
1 1 1 37 0  19 o 1.69554  0.344162  3.21449      1.03286  3.21449      1.03286  3.21449      1.03286  1.75295  0.215687  ?        ?         
1 1 1 37 0  20 f 5.07001  0.129423  25.7715      1.31042  25.7715      1.31042  25.7715      1.31042  5.07328  0.0913888 ?        ?         
1 1 1 37 0  21 o 0.722539 0.41399   0.689641     0.932555 0.689641     0.932555 0.689641     0.932555 0.686098 0.3629    ?        ?         
1 1 1 37 0  22 o 2.54751  0.195245  6.6169       0.981339 6.6169       0.981339 6.6169       0.981339 2.56018  0.136405  ?        ?         
1 1 1 37 0  23 o 10.3387  0.129455  107.056      2.67583  107.056      2.67583  107.056      2.67583  10.3427  0.0914859 ?        ?         
1 1 1 37 0  24 o 5.85301  0.120823  34.3393      1.413    34.3393      1.413    34.3393      1.413    5.85648  0.085343  ?        ?         
1 1 1 37 0  25 o 0.850909 0.452046  1.07385      1.02661  1.07385      1.02661  1.07385      1.02661  0.853005 0.39161   ?        ?         
1 1 1 37 0  26 f 8.92447  0.132671  79.8426      2.36686  79.8426      2.36686  79.8426      2.36686  8.93     0.0937312 ?        ?         
1 1 1 37 0  27 o 8.78119  0.130989  77.3174      2.29932  77.3174      2.29932  77.3174      2.29932  8.78712  0.0925374 ?        ?         
1 1 1 37 0  28 o 2.37917  0.263759  5.9192       1.21987  5.9192       1.21987  5.9192       1.21987  2.40722  0.181539  ?        ?         
1 1 1 37 0  29 o 0.552663 0.374007  -0.430644    1.17417  -0.430644    1.17417  -0.430644    1.17417  0.447057 0.306447  ?        ?         
1 1 1 37 0  30 o 3.10877  0.216376  9.88355      1.33036  9.88355      1.33036  9.88355      1.33036  3.12651  0.151247  ?        ?         
1 1 1 37 0  31 o 4.5358   0.165261  20.7665      1.49466  20.7665      1.49466  20.7665      1.49466  4.54643  0.116405  ?        ?         
1 1 1 37 0  32 f 0.910604 0.478406  1.29112      1.14     1.29112      1.14     1.29112      1.14     0.931195 0.413003  ?        ?         
1 1 1 37 0  33 o 2.40127  0.262348  6.07753      1.22561  6.07753      1.22561  6.07753      1.22561  2.43446  0.180265  ?        ?         
1 1 1 37 0  34 o 3.50671  0.195968  12.5604      1.3646   12.5604      1.3646   12.5604      1.3646   3.52548  0.137322  ?        ?         
1 1 1 37 0  35 o 0.426188 0.308582  -1.92509     1.2552   -1.92509     1.2552   -1.92509     1.2552   0.321632 0.236882  ?        ?         
1 1 1 37 0  36 o 1.0535   0.523064  1.82545      1.31983  1.82545      1.31983  1.82545      1.31983  1.12515  0.437337  ?        ?         
1 1 1 37 0  37 o 2.15723  0.370664  5.32011      1.45747  5.32011      1.45747  5.32011      1.45747  2.24023  0.236013  ?        ?         
1 1 1 37 0  38 o 1.0294   0.53175   1.85843      1.39166  1.85843      1.39166  1.85843      1.39166  1.10394  0.453281  ?        ?         
1 1 1 37 0  39 o 0.786751 0.476692  0.968461     1.35602  0.968461     1.35602  0.968461     1.35602  0.761069 0.425817  ?        ?         
1 1 1 37 0  40 f 0.420356 0.308465  -2.45102     1.42258  -2.45102     1.42258  -2.45102     1.42258  0.320297 0.237512  ?        ?         
1 1 1 37 0  41 o 0.920334 0.53132   1.82502      1.54956  1.82502      1.54956  1.82502      1.54956  0.992659 0.478937  ?        ?         
1 1 1 37 0  42 o 0.786725 0.499718  1.28108      1.66573  1.28108      1.66573  1.28108      1.66573  0.791138 0.460313  ?        ?         
1 1 1 37 0  43 o 0.395904 0.294633  -3.79048     1.71924  -3.79048     1.71924  -3.79048     1.71924  0.306526 0.22971   ?        ?         
1 1 1 37 0  44 o 0.520135 0.374829  -0.517249    1.71368  -0.517249    1.71368  -0.517249    1.71368  0.456165 0.325833  ?        ?         
1 1 1 37 1  0  o 18.0762  0.180719  326.932      6.53194  326.932      6.53194  326.932      6.53194  18.0787  0.127755  ?        ?         
1 1 1 37 1  1  o 24.4264  0.17413   596.943      8.50671  594.702      11.9908  599.213      12.0702  24.3743  0.245973  24.4665  0.246668  
1 1 1 37 1  2  o 32.6891  0.234806  1069.55      15.3512  1067.74      21.9472  1071.28      21.4801  32.6453  0.336147  32.7008  0.328433  
1 1 1 37 1  3  o 17.4043  0.123155  302.988      4.28685  301.931      6.18083  303.968      5.95077  17.3714  0.177902  17.4303  0.170702  
1 1 1 37 1  4  o 20.885   0.146374  436.348      6.11407  438.99       8.50209  433.519      8.79873  20.9444  0.202968  20.8129  0.211377  
1 1 1 37 1  5  o 6.1327   0.0637456 37.6129      0.781866 35.3955      1.08962  39.9663      1.12256  5.94895  0.0915811 6.32143  0.0887904 
1 1 1 37 1  6  o 19.1109  0.136414  365.358      5.21399  365.63       7.2982   365.074      7.45158  19.1147  0.190905  19.0999  0.195069  
1 1 1 37 1  7  o 6.42915  0.0618308 41.3371      0.795038 42.2383      1.14788  40.5062      1.10221  6.49859  0.0883179 6.36397  0.0865981 
1 1 1 37 1  8  o 10.2128  0.0810309 104.315      1.6551   106.291      2.29808  102.186      2.38571  10.3084  0.111466  10.1072  0.11802   
1 1 1 37 1  9  o 17.5146  0.126753  306.865      4.44006  305.959      6.19654  307.822      6.36525  17.4858  0.177188  17.5387  0.181464  
1 1 1 37 1  10 o 13.7998  0.104292  190.479      2.87842  191.67       4.1004   189.322      4.04164  13.8411  0.148124  13.7562  0.146903  
1 1 1 37 1  11 o 9.67356  0.086491  93.5943      1.67335  95.0098      2.53257  92.4976      2.22929  9.74534  0.129938  9.61603  0.115915  
1 1 1 37 1  12 o 16.8121  0.128192  282.766      4.31037  282.445      5.92855  283.126      6.27804  16.7994  0.176451  16.8188  0.186637  
1 1 1 37 1  13 o 10.8831  0.0879595 118.468      1.91455  119.011      2.71067  117.928      2.70451  10.9069  0.124265  10.8571  0.12455   
1 1 1 37 1  14 o 10.8664  0.0923553 118.11       2.00714  117.316      2.86809  118.872      2.80986  10.8283  0.132435  10.9     0.128892  
1 1 1 37 1  15 o 5.96887  0.0830757 35.6361      0.991736 34.3502      1.37147  37.0455      1.43579  5.85947  0.11703   6.08499  0.117978  
1 1 1 37 1  16 o 5.27015  0.0833251 27.7828      0.878271 26.9552      1.18422  28.7946      1.3093   5.19035  0.11408   5.3643   0.122038  
1 1 1 37 1  17 f 10.0945  0.0895506 101.94       1.80794  101.18       2.56332  102.693      2.55036  10.0547  0.127469  10.1297  0.125885  
1 1 1 37 1  18 o 14.7093  0.114613  216.527      3.37175  216.191      4.77467  216.862      4.76209  14.6922  0.16249   14.7151  0.16181   
1 1 1 37 1  19 o 10.9252  0.0979991 119.437      2.14132  119.583      3.03296  119.291      3.02362  10.9282  0.138767  10.9149  0.138508  
1 1 1 37 1  20 o 5.23297  0.0850247 27.4         0.889864 27.6268      1.22288  27.1447      1.29733  5.25323  0.116394  5.20677  0.124581  
1 1 1 37 1  21 o 2.67059  0.132116  7.14485      0.705656 6.98766      0.997162 7.30254      0.998736 2.63861  0.188956  2.69761  0.185115  
1 1 1 37 1  22 o 4.01629  0.0961371 16.1478      0.77223  15.9316      1.07002  16.3829      1.1156   3.98728  0.134179  4.04312  0.137963  
1 1 1 37 1  23 o 3.00208  0.123561  9.03148      0.741879 8.69682      1.02856  9.39438      1.07108  2.94284  0.174757  3.05856  0.175096  
1 1 1 37 1  24 o 5.46721  0.0867009 29.9258      0.948024 29.9426      1.32698  29.9083      1.35488  5.46557  0.121394  5.46216  0.124024  
1 1 1 37 1  25 o 3.60112  0.114345  12.9996      0.823539 13.2994      1.17718  12.7122      1.15253  3.63797  0.16179   3.55673  0.162022  
1 1 1 37 1  26 o 3.77357  0.112591  14.2777      0.849742 15.207       1.2263   13.4194      1.17855  3.88956  0.15764   3.65336  0.161297  
1 1 1 37 1  27 o 3.61478  0.122381  13.115       0.884761 13.0156      1.25477  13.2133      1.24774  3.59424  0.174552  3.62178  0.172256  
1 1 1 37 1  28 o 2.28081  0.189933  5.2567       0.866401 5.17131      1.22511  5.34214      1.22544  2.25007  0.272239  2.2877   0.267831  
1 1 1 37 1  29 o 4.29991  0.114564  18.5704      0.98523  18.3223      1.41665  18.8028      1.37112  4.26058  0.166251  4.31784  0.158774  
1 1 1 37 1  30 o 0.983667 0.353531  0.875067     0.888513 1.25106      1.24179  0.480648     1.27185  1.15972  0.417832  0.991178 0.404747  
1 1 1 37 1  31 o 1.79581  0.246573  3.30366      0.885594 2.53283      1.25215  4.07515      1.25269  1.51472  0.405261  1.97892  0.316508  
1 1 1 37 1  32 o 2.29603  0.182173  5.36004      0.836548 5.17793      1.18505  5.54092      1.18107  2.23632  0.264956  2.31631  0.254947  
1 1 1 37 1  33 o 1.30504  0.328149  1.87699      0.856283 1.69396      1.21704  2.0564       1.20498  1.25162  0.415905  1.35488  0.409862  
1 1 1 37 1  34 o 1.64719  0.267218  2.84019      0.880318 2.65327      1.24714  3.02581      1.24278  1.52139  0.403274  1.63202  0.38627   
1 1 1 37 1  35 o 2.92862  0.162894  8.74868      0.954107 8.80106      1.36352  8.69843      1.33554  2.90686  0.234535  2.89163  0.230932  
1 1 1 37 1  36 f 2.04671  0.230397  4.38357      0.943115 3.78224      1.32079  5.00912      1.34713  1.8103   0.377208  2.14788  0.313596  
1 1 1 37 1  37 o 3.25949  0.159199  10.9136      1.03781  11.1035      1.4775   10.7287      1.45807  3.24303  0.227797  3.18712  0.228744  
1 1 1 37 1  38 o 0.881709 0.352587  0.649912     0.939384 1.22629      1.32801  0.0727015    1.32897  1.07801  0.42297   0.867954 0.384623  
1 1 1 37 1  39 o 1.47358  0.341744  2.64584      0.98846  2.42643      1.39994  2.86398      1.39586  1.32847  0.446062  1.44464  0.44196   
1 1 1 37 1  40 o 1.10089  0.37807   1.58479      1.00612  2.40251      1.37783  0.650666     1.47264  1.28529  0.442329  0.936198 0.410702  
1 1 1 37 1  41 o 0.510469 0.254998  -2.22594     1.08005  -2.07145     1.47336  -2.40537     1.5879   0.631441 0.312654  0.638803 0.317697  
1 1 1 37 1  42 o 0.801951 0.36038   0.54981      1.20762  -1.2961      1.76284  2.18206      1.65768  0.714987 0.352182  1.0625   0.450135  
1 1 1 37 1  43 f 0.575868 0.284466  -1.30517     1.20175  -1.2539      1.69253  -1.3573      1.70663  0.669184 0.332142  0.665703 0.330838  
1 1 1 37 2  0  o 3.36457  0.103259  11.3533      0.693363 11.3533      0.693363 11.3533      0.693363 3.36702  0.0728835 ?        ?         
1 1 1 37 2  1  f 26.9477  0.194069  726.652      10.4595  732.225      14.7276  720.981      14.8571  27.0421  0.272309  26.8331  0.276842  
1 1 1 37 2  2  f 18.3608  0.134131  337.226      4.92551  338.127      6.90435  336.292      7.02877  18.3825  0.187797  18.3323  0.191705  
1 1 1 37 2  3  o 16.6772  0.122669  278.205      4.09156  277.999      5.85505  278.402      5.72     16.6686  0.175631  16.6809  0.171453  
1 1 1 37 2  4  o 3.8891   0.0689373 15.1264      0.536208 14.9689      0.786295 15.2634      0.733119 3.8686   0.101625  3.90651  0.093833  
1 1 1 37 2  5  o 8.25114  0.069948  68.0877      1.1543   67.5491      1.64067  68.6157      1.62432  8.21803  0.0998211 8.28268  0.0980549 
1 1 1 37 2  6  o 9.6732   0.0798802 93.5829      1.5454   94.4175      2.10639  92.6098      2.2743   9.71571  0.108401  9.62204  0.118182  
1 1 1 37 2  7  o 2.89575  0.0853308 8.38661      0.494193 7.64558      0.677719 9.22808      0.722187 2.76463  0.122569  3.03733  0.118885  
1 1 1 37 2  8  o 12.0134  0.0924231 144.348      2.22063  143.634      3.06427  145.137      3.22261  11.9827  0.127863  12.045   0.133774  
1 1 1 37 2  9  o 11.8674  0.089512  140.861      2.12455  137.663      2.99156  144.115      3.01776  11.7309  0.127508  12.0027  0.125712  
1 1 1 37 2  10 o 8.59979  0.0761229 73.9661      1.30928  74.3741      1.86013  73.5656      1.84319  8.62289  0.10786   8.5759   0.107463  
1 1 1 37 2  11 o 21.4795  0.165743  461.681      7.12014  463.152      9.9543   460.14       10.1886  21.5067  0.231423  21.4359  0.237652  
1 1 1 37 2  12 o 7.7248   0.0763268 59.6818      1.17922  58.2623      1.63861  61.2066      1.69832  7.63179  0.107354  7.82222  0.108558  
1 1 1 37 2  13 o 9.64405  0.084018  93.0269      1.62055  91.7364      2.32972  94.2367      2.25567  9.57583  0.121646  9.70564  0.116204  
1 1 1 37 2  14 o 7.7204   0.0899264 59.6202      1.38854  62.4558      2.02267  57.0927      1.90957  7.90081  0.128004  7.55402  0.126394  
1 1 1 37 2  15 o 7.64192  0.0823237 58.4142      1.25822  58.2794      1.78725  58.5465      1.77164  7.63207  0.117088  7.64958  0.1158    
1 1 1 37 2  16 o 1.86684  0.174089  3.48992      0.64999  2.65716      0.933186 4.27464      0.90587  1.60067  0.302527  2.06522  0.219316  
1 1 1 37 2  17 o 7.37762  0.0912298 54.4533      1.34612  50.2272      1.87113  58.987       1.93803  7.08385  0.13207   7.67707  0.126222  
1 1 1 37 2  18 f 6.50263  0.0792013 42.3003      1.03003  42.8903      1.46341  41.721       1.45005  6.54657  0.111769  6.45669  0.112291  
1 1 1 37 2  19 f 4.89015  0.0899614 23.9273      0.879849 23.3781      1.18991  24.5897      1.30688  4.83246  0.123117  4.95571  0.131856  
1 1 1 37 2  20 o 8.94109  0.0839773 79.9919      1.5017   79.7844      2.06112  80.2267      2.19239  8.92704  0.115443  8.9511   0.122465  
1 1 1 37 2  21 o 2.82081  0.121781  7.96954      0.687041 9.02873      0.969811 6.9024       0.973444 3.00064  0.161601  2.62247  0.185597  
1 1 1 37 2  22 o 6.54122  0.0819671 42.8224      1.07233  42.8144      1.47322  42.8314      1.56384  6.53823  0.112662  6.53888  0.11958   
1 1 1 37 2  23 o 6.69386  0.0837847 44.8525      1.12169  44.9836      1.54561  44.7066      1.63039  6.70061  0.115333  6.67919  0.12205   
1 1 1 37 2  24 o 6.01439  0.0848892 36.2159      1.02111  35.4375      1.44706  36.9878      1.44111  5.94563  0.121691  6.07466  0.118616  
1 1 1 37 2  25 o 2.66394  0.142887  7.12457      0.761284 6.79076      1.09081  7.44156      1.06297  2.59486  0.210187  2.7179   0.195549  
1 1 1 37 2  26 o 2.95021  0.135662  8.7384       0.80046  9.20566      1.16162  8.31589      1.10458  3.02211  0.192186  2.87234  0.192279  
1 1 1 37 2  27 o 4.01785  0.116191  16.1995      0.933678 16.7436      1.29685  15.6139      1.34533  4.07865  0.15898   3.93669  0.170871  
1 1 1 37 2  28 o 4.50506  0.118789  20.3813      1.07031  20.6785      1.52503  20.0928      1.5025   4.52828  0.168389  4.46371  0.168302  
1 1 1 37 2  29 o 2.4244   0.176132  5.94111      0.854025 7.06606      1.22092  4.86336      1.19504  2.63351  0.231805  2.17673  0.274503  
1 1 1 37 2  30 o 2.57964  0.180857  6.73493      0.933093 5.82822      1.29053  7.7282       1.35071  2.38187  0.270906  2.74927  0.245649  
1 1 1 37 2  31 o 2.81466  0.164328  8.01076      0.925058 7.26113      1.25696  8.89652      1.36633  2.66386  0.235928  2.94985  0.231594  
1 1 1 37 2  32 o 2.68946  0.156918  7.32396      0.844049 8.074        1.20821  6.60898      1.17964  2.80849  0.215099  2.53601  0.232577  
1 1 1 37 2  33 f 2.2963   0.18786   5.38283      0.862766 5.90203      1.21654  4.85744      1.22376  2.38402  0.255145  2.15322  0.28417   
1 1 1 37 2  34 o 4.08175  0.125256  16.8372      1.02253  17.0944      1.444    16.5785      1.44815  4.0917   0.176455  4.02792  0.179764  
1 1 1 37 2  35 o 2.13585  0.215421  4.72289      0.920211 5.07998      1.30843  4.3734       1.29443  2.18036  0.300049  2.01353  0.321433  
1 1 1 37 2  36 o 2.4181   0.199072  6.05106      0.962756 6.73748      1.36048  5.36249      1.36261  2.51602  0.270363  2.22578  0.306097  
1 1 1 37 2  37 o 2.87897  0.181588  8.5953       1.04557  8.45513      1.4723   8.73792      1.48511  2.80064  0.26285   2.8488   0.260655  
1 1 1 37 2  38 o 1.0025   0.360665  1.11234      0.924941 1.6059       1.33689  0.659173     1.28102  1.16121  0.431603  0.953103 0.399338  
1 1 1 37 2  39 o 1.37011  0.359703  2.35649      0.998232 3.18436      1.41164  1.52843      1.41179  1.51983  0.43951   1.10984  0.435926  
1 1 1 37 2  40 o 0.507326 0.251942  -1.93525     0.980572 -3.14913     1.32628  -0.471723    1.4563   0.545391 0.274423  0.785853 0.368252  
1 1 1 37 2  41 o 1.08425  0.392079  1.76173      1.09431  1.44568      1.46575  2.15974      1.64488  0.999127 0.42328   1.11604  0.45877   
1 1 1 37 2  42 o 0.823714 0.367182  0.789288     1.23133  1.84688      1.89604  0.0179137    1.61927  0.973381 0.442879  0.777371 0.37164   
1 1 1 37 2  43 o 0.825359 0.366474  0.980403     1.21455  2.73881      1.72719  -0.739632    1.70824  1.05115  0.452807  0.704576 0.34706   
1 1 1 37 3  0  o 14.7662  0.150748  218.154      4.45091  218.154      4.45091  218.154      4.45091  14.7681  0.106569  ?        ?         
1 1 1 37 3  1  o 25.4255  0.176908  646.826      8.99596  647.055      12.4435  646.574      13.0205  25.4232  0.244727  25.4124  0.256185  
1 1 1 37 3  2  o 11.6869  0.089027  136.605      2.08091  135.809      2.9317   137.413      2.95412  11.652   0.125803  11.7206  0.126023  
1 1 1 37 3  3  o 3.00171  0.080032  9.01137      0.480466 8.64211      0.691182 9.35665      0.668356 2.93936  0.117574  3.05851  0.109262  
1 1 1 37 3  4  o 12.3686  0.094759  153.01       2.34408  153.062      3.36008  152.961      3.27174  12.3696  0.13582   12.3656  0.132292  
1 1 1 37 3  5  o 4.266    0.0674652 18.2004      0.575613 19.1689      0.856524 17.4028      0.777307 4.3778   0.0978259 4.1713   0.0931733 
1 1 1 37 3  6  o 15.5317  0.114214  241.3        3.54789  243.113      5.05228  239.535      4.98338  15.5878  0.162058  15.4728  0.161037  
1 1 1 37 3  7  o 3.89762  0.0780943 15.1934      0.608763 16.7139      0.880763 13.8025      0.842363 4.08776  0.107732  3.71467  0.113383  
1 1 1 37 3  8  o 5.4068   0.0641585 29.2361      0.693784 30.1516      0.993141 28.3634      0.9696   5.49056  0.0904407 5.32525  0.0910379 
1 1 1 37 3  9  o 4.13874  0.0816293 17.1317      0.675685 18.9448      0.984902 15.5197      0.928698 4.35193  0.113157  3.93889  0.117888  
1 1 1 37 3  10 o 22.7537  0.172534  518.097      7.85157  515.857      10.7864  520.622      11.451   22.697   0.237616  22.7998  0.25112   
1 1 1 37 3  11 o 5.05406  0.0770159 25.5475      0.778487 25.7623      1.16767  25.3756      1.04449  5.07478  0.115047  5.03672  0.103688  
1 1 1 37 3  12 o 8.08603  0.0755623 65.3943      1.222    65.8384      1.78243  65.0004      1.67857  8.11271  0.109854  8.06105  0.104116  
1 1 1 37 3  13 o 3.60135  0.0992621 12.9736      0.714954 12.4824      1.02258  13.4433      0.99999  3.53191  0.144764  3.66547  0.136407  
1 1 1 37 3  14 o 7.15866  0.0829864 51.2587      1.18814  50.1813      1.64596  52.4309      1.71686  7.0822   0.116204  7.23914  0.118582  
1 1 1 37 3  15 o 6.70813  0.0855472 45.0128      1.14772  42.4978      1.63068  47.4818      1.61567  6.51687  0.125112  6.88869  0.11727   
1 1 1 37 3  16 o 7.07407  0.0814942 50.0586      1.15299  48.8452      1.71622  51.0567      1.55659  6.98636  0.122827  7.14333  0.108954  
1 1 1 37 3  17 o 9.23128  0.086814  85.2525      1.60281  84.43        2.26524  86.0771      2.26819  9.1847   0.123316  9.27391  0.122289  
1 1 1 37 3  18 o 8.09302  0.082274  65.5253      1.33169  65.2083      1.8601   65.8586      1.90738  8.0717   0.115223  8.11171  0.117569  
1 1 1 37 3  19 o 9.63252  0.091676  92.8442      1.76614  94.1123      2.45711  91.4888      2.54038  9.69522  0.126718  9.55855  0.132885  
1 1 1 37 3  20 o 5.19938  0.082748  27.0509      0.860476 27.355       1.19984  26.7288      1.2347   5.22698  0.114774  5.16655  0.11949   
1 1 1 37 3  21 o 3.93769  0.0970354 15.5215      0.764191 15.1081      1.03521  16.0165      1.13284  3.88312  0.133296  3.99766  0.141687  
1 1 1 37 3  22 o 6.34828  0.0807299 40.3343      1.02499  41.3173      1.4445   39.3374      1.45467  6.42265  0.112454  6.26655  0.116066  
1 1 1 37 3  23 o 4.33258  0.0926305 18.7949      0.802658 19.9084      1.13624  17.6859      1.13402  4.4565   0.127481  4.19978  0.13501   
1 1 1 37 3  24 o 3.36909  0.113314  11.376       0.76353  12.4031      1.0915   10.3917      1.06845  3.51444  0.155288  3.21591  0.16612   
1 1 1 37 3  25 o 5.95663  0.086715  35.5347      1.03306  36.805       1.50305  34.3973      1.42223  6.05744  0.124066  5.85634  0.121426  
1 1 1 37 3  26 o 6.78843  0.091916  46.1705      1.24793  46.074       1.77619  46.2646      1.75371  6.77474  0.131089  6.78912  0.129156  
1 1 1 37 3  27 o 5.08225  0.100866  25.9007      1.02525  24.192       1.41254  27.8031      1.49045  4.90486  0.143994  5.25866  0.141714  
1 1 1 37 3  28 o 5.32835  0.104907  28.4875      1.11796  29.6646      1.67634  27.5446      1.50034  5.42657  0.154457  5.23171  0.143389  
1 1 1 37 3  29 o 2.81469  0.164901  8.00037      0.928289 7.86736      1.28035  8.14778      1.34785  2.77822  0.230426  2.82539  0.238524  
1 1 1 37 3  30 o 3.19041  0.147264  10.2633      0.939664 10.3029      1.28003  10.2171      1.3838   3.18518  0.200935  3.16749  0.218438  
1 1 1 37 3  31 o 2.69222  0.167632  7.33889      0.902605 6.1089       1.25288  8.66611      1.30146  2.43586  0.257174  2.91148  0.223505  
1 1 1 37 3  32 o 3.4439   0.130025  11.9669      0.895588 11.6598      1.27612  12.265       1.25719  3.38275  0.188622  3.47197  0.181049  
1 1 1 37 3  33 o 0.600963 0.279932  -0.671606    0.819273 0.262039     1.15434  -1.61926     1.16296  0.89494  0.37721   0.635691 0.306551  
1 1 1 37 3  34 o 1.33994  0.327942  2.00196      0.872908 2.37754      1.23827  1.63094      1.23072  1.4353   0.41053   1.22331  0.418235  
1 1 1 37 3  35 o 1.31534  0.336746  1.94861      0.889682 2.24168      1.26183  1.6589       1.2546   1.38767  0.419347  1.22588  0.422066  
1 1 1 37 3  36 o 2.47398  0.194809  6.3261       0.96391  6.54519      1.36098  6.10559      1.36538  2.4767   0.274757  2.38575  0.286153  
1 1 1 37 3  37 o 2.81435  0.181426  8.22328      1.0212   7.64258      1.43058  8.82661      1.45819  2.65478  0.269436  2.86508  0.254476  
1 1 1 37 3  38 o 0.766289 0.32801   0.213661     0.896147 -0.447362    1.23952  0.937547     1.29713  0.764989 0.351626  1.00646  0.409497  
1 1 1 37 3  39 o 1.85299  0.272792  3.87588      1.01096  4.46255      1.43723  3.30132      1.42231  1.85158  0.399483  1.53814  0.439993  
1 1 1 37 3  40 o 0.604023 0.289645  -0.928549    1.00261  -1.10519     1.44856  -0.766106    1.38912  0.716984 0.344861  0.733876 0.348769  
1 1 1 37 3  41 o 0.74972  0.340415  0.159482     1.1076   -1.92835     1.49831  2.67508      1.64466  0.641316 0.316997  1.20344  0.471005  
1 1 1 37 3  42 o 0.725968 0.338168  0.173787     1.19569  -0.968642    1.71859  1.24561      1.66463  0.706892 0.348202  0.892315 0.409032  
1 1 1 37 3  43 f 0.92618  0.389106  1.63158      1.22168  2.00021      1.69219  1.23028      1.76559  0.936623 0.423428  0.850674 0.400045  
1 1 1 37 4  0  o 8.91482  0.126788  79.5347      2.25955  79.5347      2.25955  79.5347      2.25955  8.91652  0.0896148 ?        ?         
1 1 1 37 4  1  o 8.20673  0.068526  67.3567      1.12475  67.3113      1.59126  67.402       1.59001  8.20359  0.0969858 8.20911  0.096844  
1 1 1 37 4  2  o 12.1439  0.0941847 147.501      2.28754  149.652      3.20312  145.261      3.268    12.2312  0.130941  12.0502  0.135599  
1 1 1 37 4  3  o 22.2192  0.165141  493.967      7.3386   495.952      10.0363  491.686      10.7579  22.2585  0.225448  22.1608  0.242725  
1 1 1 37 4  4  o 18.96    0.132183  359.608      5.01239  361.352      7.04259  357.819      7.13549  19.0026  0.185306  18.9092  0.188678  
1 1 1 37 4  5  o 11.8078  0.0874253 139.446      2.0646   137.73       2.85827  141.318      2.98544  11.734   0.121794  11.8858  0.125589  
1 1 1 37 4  6  o 3.88581  0.06908   15.101       0.536863 14.8582      0.745371 15.3628      0.77391  3.85425  0.0966947 3.91913  0.0987348 
1 1 1 37 4  7  o 13.0319  0.0932383 169.861      2.43014  166.557      3.34891  173.537      3.53185  12.9033  0.129769  13.1708  0.134079  
1 1 1 37 4  8  o 4.84342  0.0806019 23.4621      0.780778 22.8659      1.00703  24.3606      1.23626  4.78124  0.105311  4.93478  0.12526   
1 1 1 37 4  9  o 10.4412  0.089316  109.04       1.86514  108.782      2.63621  109.299      2.63921  10.4279  0.126402  10.4526  0.126246  
1 1 1 37 4  10 o 12.9045  0.10488   166.571      2.70685  166.279      3.83467  166.861      3.8215   12.8913  0.148731  12.9139  0.147961  
1 1 1 37 4  11 o 12.6202  0.0963045 159.309      2.43076  158.391      3.44365  160.222      3.43163  12.5821  0.136847  12.6547  0.135587  
1 1 1 37 4  12 o 5.26946  0.0767429 27.7721      0.808788 29.3972      1.20213  26.4281      1.09321  5.42094  0.110879  5.13997  0.106344  
1 1 1 37 4  13 o 6.01363  0.0901377 36.1732      1.08411  39.286       1.60689  33.5727      1.46873  6.26619  0.128219  5.79269  0.126775  
1 1 1 37 4  14 o 7.69437  0.084078  59.2192      1.29386  59.9003      1.81552  58.5163      1.8444   7.7375   0.11732   7.64747  0.120589  
1 1 1 37 4  15 o 15.2976  0.129838  234.193      3.97242  234.163      6.00317  234.216      5.29831  15.289   0.196324  15.2937  0.173219  
1 1 1 37 4  16 o 6.69081  0.0821665 44.7825      1.09952  42.5157      1.52342  47.2474      1.58854  6.51812  0.11686   6.87131  0.115592  
1 1 1 37 4  17 o 5.48619  0.0865731 30.1115      0.949913 28.7744      1.2985   31.6509      1.39326  5.36186  0.121086  5.62337  0.123882  
1 1 1 37 4  18 o 9.88489  0.0904863 97.7652      1.78889  100.447      2.60937  95.3868      2.45723  10.0165  0.130253  9.76131  0.125866  
1 1 1 37 4  19 o 1.06568  0.310719  1.16563      0.702714 1.18303      0.915432 1.14066      1.09646  1.10303  0.360707  1.12608  0.393907  
1 1 1 37 4  20 o 2.09225  0.160956  4.38911      0.67352  3.8604       0.934092 4.96165      0.972044 1.95916  0.238391  2.2221   0.218722  
1 1 1 37 4  21 o 2.66084  0.12859   7.0934       0.684317 7.03377      0.939498 7.16078      0.998759 2.64737  0.17744   2.67063  0.186989  
1 1 1 37 4  22 o 7.21762  0.0803512 52.1397      1.15989  52.7618      1.64245  51.5208      1.63822  7.25743  0.113157  7.17146  0.114218  
1 1 1 37 4  23 o 5.1612   0.0856398 26.6679      0.884008 26.131       1.2309   27.2399      1.27039  5.10611  0.120532  5.21319  0.121844  
1 1 1 37 4  24 o 3.61391  0.107995  13.0878      0.780568 13.2467      1.08554  12.9178      1.1232   3.63226  0.149431  3.58618  0.156601  
1 1 1 37 4  25 o 5.37798  0.0898847 28.9705      0.966795 27.5942      1.37352  30.322       1.36107  5.24386  0.130965  5.49796  0.12378   
1 1 1 37 4  26 f 4.37083  0.105236  19.1539      0.919938 18.9956      1.29089  19.3173      1.31133  4.34715  0.148476  4.38364  0.14957   
1 1 1 37 4  27 o 5.65185  0.0961512 32.0263      1.08686  32.8586      1.54837  31.2179      1.52599  5.71766  0.135403  5.57277  0.136915  
1 1 1 37 4  28 o 0.751397 0.315532  0.1148       0.802752 -0.691983    1.20694  0.754834     1.075    0.772837 0.352093  0.999798 0.383082  
1 1 1 37 4  29 o 1.70548  0.249118  2.97358      0.849731 3.74339      1.17337  2.12464      1.23219  1.90228  0.30841   1.39982  0.412513  
1 1 1 37 4  30 o 1.99809  0.218534  4.06779      0.873302 2.71491      1.18921  5.65136      1.28661  1.57309  0.381392  2.34254  0.274618  
1 1 1 37 4  31 o 0.866637 0.333155  0.569299     0.815208 1.86111      1.15914  -0.694978    1.14672  1.306    0.403398  0.741391 0.339699  
1 1 1 37 4  32 o 2.86082  0.15426   8.29234      0.882619 8.06297      1.24327  8.52539      1.25321  2.80137  0.221904  2.88212  0.217411  
1 1 1 37 4  33 o 2.78301  0.158595  7.86534      0.882745 6.63995      1.24061  9.12194      1.25631  2.5299   0.245191  2.97931  0.21084   
1 1 1 37 4  34 o 0.818596 0.33122   0.399737     0.842884 0.429695     1.1912   0.369696     1.19284  0.930286 0.387129  0.918743 0.385164  
1 1 1 37 4  35 o 2.18894  0.212139  4.95985      0.928718 6.03063      1.31938  3.90823      1.30751  2.38547  0.276545  1.85859  0.36475   
1 1 1 37 4  36 f 2.3163   0.204247  5.57483      0.946193 4.68083      1.31528  6.53373      1.36219  2.06788  0.318027  2.46975  0.275775  
1 1 1 37 4  37 o 0.712751 0.319201  -0.176439    0.940242 -1.75799     1.3058   1.52646      1.35497  0.654372 0.31754   1.15546  0.433506  
1 1 1 37 4  38 o 1.00316  0.35558   1.14527      0.896078 1.23271      1.23207  1.04709      1.30561  1.05655  0.408863  1.02533  0.413317  
1 1 1 37 4  39 o 0.887028 0.35905   0.759702     0.991022 1.49763      1.46487  0.136921     1.34573  1.08995  0.438448  0.844986 0.380035  
1 1 1 37 4  40 o 0.871693 0.356483  0.789377     0.988075 0.224343     1.43879  1.2937       1.35929  0.849698 0.386389  1.00905  0.416298  
1 1 1 37 4  41 o 1.10553  0.401738  1.90319      1.15013  2.85966      1.58206  0.831083     1.67497  1.24888  0.468452  0.913727 0.415877  
1 1 1 37 4  42 o 0.688011 0.324832  -0.0925528   1.18657  0.928125     1.71608  -1.02754     1.64247  0.848386 0.397949  0.685702 0.337724  
1 1 1 37 4  43 o 0.734093 0.3406    0.489665     1.19771  -0.0790259   1.66116  1.10539      1.72848  0.722973 0.352601  0.822174 0.389933  
1 1 1 37 5  0  o 10.7979  0.121802  116.656      2.62965  116.656      2.62965  116.656      2.62965  10.7993  0.0861034 ?        ?         
1 1 1 37 5  1  o 4.27043  0.0659227 18.2382      0.563036 17.6065      0.786301 18.9029      0.806594 4.19563  0.0937046 4.34736  0.0927683 
1 1 1 37 5  2  o 4.18629  0.0715561 17.5269      0.599109 18.097       0.843181 16.9456      0.851415 4.25362  0.0991133 4.11605  0.103426  
1 1 1 37 5  3  o 23.6682  0.173312  560.531      8.20397  561.529      11.3476  559.439      11.8747  23.6825  0.239577  23.637   0.251189  
1 1 1 37 5  4  o 8.48822  0.0715933 72.0577      1.2154   71.5174      1.69027  72.6361      1.74889  8.45591  0.0999464 8.52174  0.102614  
1 1 1 37 5  5  o 11.3133  0.0847477 128.01       1.91755  126.939      2.67025  129.149      2.7554   11.265   0.118519  11.3626  0.121248  
1 1 1 37 5  6  o 13.0074  0.100101  169.23       2.60411  167.458      3.51876  171.376      3.87208  12.938   0.135986  13.0879  0.147926  
1 1 1 37 5  7  o 6.46641  0.0710002 41.8191      0.918233 41.6912      1.28665  41.9518      1.31084  6.45616  0.0996455 6.47629  0.101203  
1 1 1 37 5  8  o 6.48007  0.0733547 41.9965      0.950687 41.8827      1.31698  42.1204      1.37377  6.4709   0.101762  6.48917  0.105851  
1 1 1 37 5  9  o 6.74336  0.0760709 45.4794      1.02595  44.5149      1.42656  46.5126      1.47654  6.671    0.106923  6.81902  0.108266  
1 1 1 37 5  10 o 17.2956  0.127476  299.267      4.40954  294.255      6.29618  304.092      6.17759  17.1462  0.183603  17.431   0.177202  
1 1 1 37 5  11 o 9.78141  0.0880175 95.697       1.72187  90.9152      2.36832  101.059      2.50785  9.53284  0.124219  10.0506  0.124762  
1 1 1 37 5  12 o 8.47926  0.0849508 71.9139      1.44064  70.65        2.17399  72.9035      1.92365  8.40318  0.129355  8.53667  0.11267   
1 1 1 37 5  13 o 12.9561  0.108544  167.929      2.8126   168.662      4.18538  167.325      3.798    12.9811  0.161211  12.9305  0.146862  
1 1 1 37 5  14 o 12.7994  0.101493  163.895      2.59809  164.198      3.66605  163.589      3.68252  12.8085  0.14311   12.7846  0.144021  
1 1 1 37 5  15 o 4.6823   0.0823749 21.9311      0.771408 21.0427      1.07513  22.8737      1.10746  4.58571  0.117226  4.7811   0.115816  
1 1 1 37 5  16 o 8.54949  0.0833286 73.1216      1.42483  72.7761      2.01701  73.4658      2.01304  8.52764  0.118263  8.568    0.117474  
1 1 1 37 5  17 o 6.62883  0.0790352 43.9585      1.04782  42.9517      1.43063  45.1236      1.53899  6.5513   0.109186  6.71465  0.1146    
1 1 1 37 5  18 o 14.758   0.118304  218.018      3.49186  219.072      4.96584  216.988      4.91108  14.7859  0.167925  14.7156  0.166867  
1 1 1 37 5  19 o 7.48091  0.0822937 55.9972      1.23126  57.1883      1.67407  54.5935      1.81727  7.55823  0.110745  7.38384  0.123057  
1 1 1 37 5  20 o 7.8596   0.0798731 61.8151      1.25554  62.699       1.78195  60.9436      1.76932  7.91298  0.112597  7.80134  0.113398  
1 1 1 37 5  21 o 7.77524  0.0835116 60.505       1.29865  61.7627      1.85232  59.2892      1.82121  7.85234  0.117947  7.69345  0.118361  
1 1 1 37 5  22 o 3.82535  0.0985567 14.6533      0.754027 15.1353      1.06323  14.1656      1.06951  3.88527  0.136828  3.75835  0.142284  
1 1 1 37 5  23 o 2.63738  0.135056  6.97617      0.712385 8.13021      0.994992 5.76239      1.02042  2.84429  0.17491   2.39167  0.213328  
1 1 1 37 5  24 o 4.15416  0.0986327 17.2887      0.819472 19.0478      1.13766  15.3918      1.18139  4.35738  0.130544  3.91484  0.150886  
1 1 1 37 5  25 o 3.47683  0.114511  12.1217      0.796272 13.564       1.13529  10.7252      1.11713  3.67378  0.154512  3.26496  0.171079  
1 1 1 37 5  26 o 6.09465  0.0915693 37.2217      1.11616  39.4261      1.60118  35.1379      1.55674  6.26642  0.127759  5.91511  0.13159   
1 1 1 37 5  27 o 2.61722  0.161875  6.90188      0.847325 7.32802      1.21824  6.50253      1.17931  2.68724  0.226672  2.53031  0.233036  
1 1 1 37 5  28 o 2.58003  0.156852  6.71062      0.809365 7.88669      1.18109  5.66938      1.11133  2.78748  0.211855  2.35926  0.235524  
1 1 1 37 5  29 o 3.63246  0.136926  13.2833      0.994755 12.8096      1.3928   13.7765      1.42122  3.55448  0.195922  3.68701  0.192734  
1 1 1 37 5  30 o 1.49385  0.286378  2.37445      0.825091 1.69273      1.11008  3.21597      1.23334  1.26039  0.395874  1.71665  0.369799  
1 1 1 37 5  31 o 2.41039  0.179532  5.90371      0.865486 6.02372      1.21998  5.7821       1.22803  2.41629  0.252448  2.36525  0.259598  
1 1 1 37 5  32 o 2.58456  0.164694  6.78368      0.851324 5.95002      1.20276  7.62065      1.20515  2.39628  0.250964  2.72249  0.221332  
1 1 1 37 5  33 o 2.45462  0.178476  6.14693      0.876179 5.86402      1.24775  6.42213      1.23064  2.36954  0.263289  2.48589  0.247524  
1 1 1 37 5  34 o 0.862967 0.339057  0.558889     0.8543   1.96993      1.21446  -0.823284    1.20197  1.31206  0.414411  0.733133 0.340558  
1 1 1 37 5  35 o 1.09898  0.356182  1.33119      0.892917 2.03953      1.2557   0.606652     1.26997  1.3237   0.421726  0.978736 0.402852  
1 1 1 37 5  36 o 1.81182  0.256347  3.49829      0.928912 4.0476       1.31453  2.9504       1.31283  1.87037  0.364412  1.56061  0.413797  
1 1 1 37 5  37 o 0.649915 0.298975  -0.459806    0.89812  -0.487485    1.26949  -0.432071    1.27078  0.775192 0.35612   0.782958 0.358267  
1 1 1 37 5  38 o 1.58066  0.30446   2.90104      0.928147 2.28012      1.27237  3.6072       1.3569   1.3181   0.42498   1.67819  0.407723  
1 1 1 37 5  39 f 0.853757 0.356233  0.601145     1.01283  2.3065       1.47474  -0.921314    1.39342  1.25961  0.45519   0.730085 0.348008  
1 1 1 37 5  40 o 0.829794 0.352888  0.599799     1.02539  0.360318     1.57144  0.77737      1.35316  0.878971 0.400797  0.908054 0.396053  
1 1 1 37 5  41 o 0.93057  0.383682  1.17793      1.15394  -0.409699    1.56426  3.07339      1.70918  0.765944 0.36596   1.25455  0.482374  
1 1 1 37 5  42 o 1.06833  0.40879   2.22123      1.22278  3.56729      1.72786  0.870757     1.73069  1.19234  0.477613  0.833191 0.393061  
1 1 1 37 5  43 o 0.722563 0.336945  0.575338     1.19112  0.228689     1.64515  0.957246     1.72679  0.718386 0.35046   0.776777 0.37433   
1 1 1 37 6  0  o 11.5224  0.128569  132.838      2.96201  132.838      2.96201  132.838      2.96201  11.524   0.0908866 ?        ?         
1 1 1 37 6  1  o 24.4181  0.174278  596.621      8.51106  591.187      11.6632  602.811      12.448   24.2996  0.239988  24.5356  0.253672  
1 1 1 37 6  2  o 20.6914  0.145318  428.322      6.01367  425.135      8.25779  431.922      8.77498  20.6101  0.200334  20.7729  0.211212  
1 1 1 37 6  3  o 23.0332  0.161226  530.82       7.4271   528.015      10.4578  533.675      10.5498  22.9659  0.227682  23.0886  0.228463  
1 1 1 37 6  4  o 9.28635  0.0759942 86.247       1.41142  84.3198      1.93885  88.4198      2.05863  9.18148  0.105585  9.40197  0.109479  
1 1 1 37 6  5  f 9.08034  0.0737126 82.4623      1.33867  82.7882      1.88326  82.1294      1.90323  9.09773  0.103502  9.06144  0.105018  
1 1 1 37 6  6  o 8.22498  0.0805836 67.66        1.3256   66.6736      1.88611  68.6229      1.86345  8.16417  0.115511  8.28272  0.11249   
1 1 1 37 6  7  o 3.72741  0.0764554 13.8955      0.569961 14.2564      0.827884 13.5703      0.785852 3.77524  0.109647  3.68329  0.106678  
1 1 1 37 6  8  f 10.6208  0.0942013 112.826      2.00099  116.284      2.93685  109.831      2.73372  10.781   0.136204  10.4778  0.130453  
1 1 1 37 6  9  o 17.9118  0.128056  320.968      4.58742  320.038      6.46545  321.91       6.50998  17.8819  0.180781  17.9341  0.181497  
1 1 1 37 6  10 f 8.67573  0.0781799 75.2811      1.35654  75.9908      2.00889  74.6862      1.83919  8.71565  0.115246  8.64075  0.106425  
1 1 1 37 6  11 o 4.08301  0.0950278 16.6755      0.775999 14.6798      1.1736   18.2258      1.03439  3.83007  0.153209  4.26823  0.121173  
1 1 1 37 6  12 o 3.56767  0.102208  12.7327      0.729286 11.8118      1.12157  13.4072      0.959923 3.43531  0.163242  3.66055  0.131117  
1 1 1 37 6  13 o 7.7575   0.0784403 60.193       1.217    62.0781      1.72737  58.335       1.7149   7.87714  0.109644  7.63587  0.112292  
1 1 1 37 6  14 o 10.252   0.0904132 105.143      1.85384  106.317      2.71449  104.116      2.53786  10.307   0.131682  10.2001  0.124403  
1 1 1 37 6  15 o 8.26003  0.0799828 68.2503      1.32132  68.9521      1.86536  67.5436      1.87192  8.30107  0.112356  8.21577  0.113922  
1 1 1 37 6  16 o 4.21404  0.0926064 17.767       0.780495 18.0971      1.06869  17.3896      1.14258  4.25212  0.125666  4.16782  0.137072  
1 1 1 37 6  17 o 7.29401  0.0783768 53.2242      1.14336  53.5373      1.55376  52.8545      1.68856  7.31416  0.106216  7.26683  0.116182  
1 1 1 37 6  18 o 16.017   0.123777  256.846      3.96506  260.564      5.59119  253.085      5.62382  16.1231  0.173391  15.8892  0.17697   
1 1 1 37 6  19 o 1.96039  0.171566  3.85397      0.672673 2.8172       0.924405 5.02086      0.980697 1.67237  0.276376  2.2356   0.219336  
1 1 1 37 6  20 o 8.3821   0.0824619 70.3124      1.38241  71.1235      2.01023  69.5846      1.90413  8.42686  0.119275  8.33574  0.114215  
1 1 1 37 6  21 o 10.7572  0.0919471 115.843      1.97819  120.068      2.88957  112.115      2.71386  10.9454  0.132     10.5773  0.128287  
1 1 1 37 6  22 o 8.6829   0.0831283 75.4689      1.44359  75.6007      2.04709  75.3386      2.03604  8.68598  0.117839  8.67097  0.117406  
1 1 1 37 6  23 o 6.9629   0.0826935 48.5382      1.15157  48.6457      1.60851  48.4252      1.64939  6.96671  0.115443  6.95045  0.118654  
1 1 1 37 6  24 o 1.80379  0.187536  3.27624      0.676552 3.2804       0.944882 3.27187      0.969158 1.79902  0.26261   1.79601  0.269808  
1 1 1 37 6  25 o 1.29262  0.281212  1.76462      0.706721 0.73763      0.988487 2.8385       1.0108   0.979241 0.369623  1.64023  0.319527  
1 1 1 37 6  26 o 3.59458  0.113416  12.9644      0.815365 12.4105      1.14741  13.5294      1.15888  3.51071  0.163415  3.66637  0.158041  
1 1 1 37 6  27 o 4.17124  0.110673  17.4631      0.923292 18.0263      1.34273  16.958       1.27163  4.22988  0.15872   4.10334  0.154951  
1 1 1 37 6  28 o 1.18602  0.318566  1.50631      0.771837 2.10024      1.12632  0.980468     1.0598   1.39125  0.389499  1.05329  0.385356  
1 1 1 37 6  29 o 3.72213  0.138191  13.951       1.02873  14.0259      1.47226  13.8796      1.43804  3.71835  0.197973  3.69986  0.194337  
1 1 1 37 6  30 o 3.43936  0.130635  11.9106      0.898602 11.5542      1.23116  12.317       1.31456  3.37631  0.182323  3.48434  0.188639  
1 1 1 37 6  31 o 1.96557  0.215095  3.95403      0.84557  3.77967      1.18647  4.13399      1.20539  1.89776  0.312596  1.98748  0.303245  
1 1 1 37 6  32 o 2.48065  0.170365  6.25778      0.845233 6.22666      1.20285  6.28813      1.18797  2.45262  0.245217  2.46617  0.240853  
1 1 1 37 6  33 o 0.845531 0.334722  0.494079     0.838442 -0.573814    1.20843  1.48535      1.16427  0.772685 0.3521    1.1817   0.406615  
1 1 1 37 6  34 o 0.690926 0.306944  -0.199827    0.853508 -1.04601     1.20063  0.664672     1.21356  0.704871 0.331033  0.982074 0.397405  
1 1 1 37 6  35 o 0.785354 0.331425  0.212859     0.892917 -1.48056     1.23804  2.04872      1.28906  0.66852  0.320884  1.32128  0.427932  
1 1 1 37 6  36 o 2.91988  0.171089  8.78905      0.999119 8.86193      1.38588  8.71019      1.4417   2.89077  0.239708  2.85715  0.252298  
1 1 1 37 6  37 o 1.80462  0.255962  3.52362      0.92383  4.85811      1.3004   2.16383      1.31267  2.08043  0.312532  1.30783  0.431936  
1 1 1 37 6  38 o 1.61943  0.307034  3.06393      0.958378 2.61685      1.3219   3.55933      1.39148  1.3961   0.430701  1.64551  0.421056  
1 1 1 37 6  39 o 0.722157 0.323665  -0.0183759   0.968387 0.103817     1.36859  -0.140895    1.37042  0.841328 0.380548  0.809986 0.371224  
1 1 1 37 6  40 o 1.28734  0.375288  2.33406      1.02519  2.73427      1.50374  1.98649      1.40136  1.27596  0.459787  1.12366  0.435796  
1 1 1 37 6  41 o 0.800207 0.362806  0.397349     1.25124  -0.798849    1.72117  1.73811      1.8222   0.754768 0.365728  1.01744  0.450682  
1 1 1 37 6  42 o 0.761155 0.346316  0.615023     1.15932  2.46127      1.59157  -1.47184     1.69211  1.02015  0.436916  0.65437  0.325787  
1 1 1 37 6  43 o 0.635004 0.308741  -0.164902    1.24498  -1.74553     1.7848   1.33304      1.7375   0.606961 0.306644  0.777533 0.374889  
1 1 1 37 7  0  o 1.54949  0.252551  2.58635      0.71991  2.58635      0.71991  2.58635      0.71991  1.58272  0.164916  ?        ?         
1 1 1 37 7  1  o 27.9998  0.197006  784.641      11.0323  778.549      15.67    790.629      15.5348  27.8788  0.281039  28.095   0.276469  
1 1 1 37 7  2  o 12.7529  0.0931139 162.667      2.37494  162.517      3.3949   162.811      3.3236   12.7458  0.133177  12.7574  0.130262  
1 1 1 37 7  3  o 21.8758  0.153622  478.797      6.7212   476.468      9.26154  481.389      9.76918  21.8174  0.212251  21.9287  0.222749  
1 1 1 37 7  4  o 11.7314  0.0900201 137.65       2.11212  139.388      3.01946  135.985      2.95555  11.8041  0.127898  11.6592  0.126748  
1 1 1 37 7  5  o 23.9617  0.169488  574.535      8.12243  578.003      11.4237  570.989      11.5511  24.0263  0.237733  23.8795  0.241861  
1 1 1 37 7  6  o 10.2592  0.0891303 105.27       1.82881  102.537      2.59721  107.958      2.57558  10.1241  0.128269  10.3884  0.123964  
1 1 1 37 7  7  o 7.7207   0.0744924 59.6173      1.15027  58.3295      1.67087  60.7774      1.58589  7.63625  0.109404  7.79499  0.101725  
1 1 1 37 7  8  o 14.4177  0.105844  207.93       3.05207  204.891      4.36463  210.838      4.26949  14.3097  0.152506  14.5162  0.14706   
1 1 1 37 7  9  o 11.4973  0.0893501 132.216      2.05457  129.927      2.95049  134.372      2.86269  11.3959  0.129454  11.5894  0.123504  
1 1 1 37 7  10 o 16.3793  0.131967  268.42       4.32305  259.856      6.33252  275.895      5.91613  16.1109  0.19653   16.6023  0.178172  
1 1 1 37 7  11 o 22.7311  0.17504   517.205      7.9577   514.378      11.3562  519.932      11.1543  22.6573  0.250607  22.7803  0.244824  
1 1 1 37 7  12 o 5.69042  0.0786043 32.3881      0.894584 30.9247      1.25363  33.9065      1.27695  5.55971  0.112743  5.82166  0.109673  
1 1 1 37 7  13 o 7.5884   0.0809646 57.5998      1.22878  55.6413      1.6928   59.7811      1.78651  7.45725  0.1135    7.72961  0.115563  
1 1 1 37 7  14 o 10.3569  0.0914201 107.308      1.89365  102.38       2.53399  113.54       2.8498   10.1145  0.125265  10.6509  0.133782  
1 1 1 37 7  15 o 13.151   0.107969  173.059      2.83979  169.258      3.99442  176.943      4.03808  13.0016  0.153613  13.2937  0.15188   
1 1 1 37 7  16 o 4.47299  0.0872962 20.017       0.780949 19.7738      1.11035  20.255       1.0986   4.44463  0.124909  4.49848  0.122108  
1 1 1 37 7  17 o 10.574   0.0908647 111.875      1.92161  110.815      2.62033  113.109      2.82651  10.5211  0.124528  10.6285  0.132968  
1 1 1 37 7  18 o 13.3062  0.104101  177.217      2.77038  178.474      3.85433  175.874      3.98472  13.3477  0.144382  13.2491  0.150377  
1 1 1 37 7  19 o 2.80627  0.120283  7.88698      0.675091 7.95869      0.915197 7.8014       0.999855 2.81729  0.162425  2.78849  0.179283  
1 1 1 37 7  20 o 5.14082  0.0819964 26.4485      0.843057 26.2325      1.15328  26.6963      1.23549  5.11801  0.112669  5.16258  0.119658  
1 1 1 37 7  21 o 3.76332  0.0966497 14.1806      0.727447 14.7889      1.01059  13.5265      1.04796  3.8411   0.13155   3.67276  0.142666  
1 1 1 37 7  22 o 0.686672 0.288465  0.0685198    0.671364 1.39995      0.948386 -1.26892     0.950523 1.17314  0.365398  0.595806 0.284814  
1 1 1 37 7  23 o 2.27576  0.149779  5.19986      0.681719 4.84054      0.940563 5.59754      0.98949  2.19107  0.214636  2.35659  0.209941  
1 1 1 37 7  24 o 2.11896  0.162683  4.51413      0.689437 4.80978      0.958566 4.19729      0.992335 2.18251  0.219602  2.03654  0.243632  
1 1 1 37 7  25 o 3.90085  0.104399  15.2548      0.814488 15.02        1.14116  15.4986      1.16287  3.86591  0.147593  3.92695  0.148062  
1 1 1 37 7  26 o 2.0298   0.188556  4.1605       0.765464 3.7601       1.04553  4.62306      1.12375  1.91974  0.272311  2.12997  0.263795  
1 1 1 37 7  27 o 2.99269  0.132486  9.00491      0.792977 8.36285      1.16152  9.5654       1.08524  2.87364  0.202099  3.07794  0.176293  
1 1 1 37 7  28 o 2.97675  0.143777  8.92722      0.855974 8.69558      1.27753  9.11592      1.15308  2.9236   0.218485  2.9992   0.192231  
1 1 1 37 7  29 o 1.97799  0.223543  3.98716      0.884333 4.3693       1.30003  3.65804      1.20648  2.05117  0.316899  1.8463   0.339425  
1 1 1 37 7  30 o 3.24091  0.137992  10.591       0.894443 10.7888      1.2249   10.3652      1.30916  3.25942  0.187902  3.19011  0.205191  
1 1 1 37 7  31 o 4.5507   0.111156  20.8425      1.01167  21.3508      1.40846  20.3007      1.45406  4.5925   0.153344  4.47482  0.162472  
1 1 1 37 7  32 o 1.37272  0.310741  2.06369      0.833379 1.62059      1.20687  2.46754      1.15218  1.22909  0.414163  1.47913  0.385579  
1 1 1 37 7  33 o 1.68823  0.254103  2.97588      0.857968 2.80561      1.21519  3.14512      1.21152  1.56685  0.38907   1.66807  0.37264   
1 1 1 37 7  34 o 1.27453  0.335501  1.82668      0.866965 1.5441       1.21269  2.12207      1.23991  1.19222  0.414524  1.35406  0.417008  
1 1 1 37 7  35 f 3.28218  0.148936  10.9829      0.977671 12.23        1.38853  9.75683      1.37682  3.43598  0.202058  3.05613  0.225255  
1 1 1 37 7  36 o 2.43938  0.199074  6.21324      0.971231 5.408        1.34178  7.09947      1.40764  2.21462  0.302936  2.5584   0.275103  
1 1 1 37 7  37 f 1.11768  0.361862  1.48165      0.921799 1.68429      1.26615  1.25311      1.34463  1.17892  0.422192  1.08329  0.425451  
1 1 1 37 7  38 o 1.20331  0.36219   1.81598      0.942554 1.99617      1.32632  1.63213      1.33973  1.22125  0.43263   1.13416  0.42966   
1 1 1 37 7  39 o 0.804344 0.34146   0.443336     0.957062 0.782891     1.32946  0.0780713    1.37887  0.935587 0.399965  0.836832 0.37993   
1 1 1 37 7  40 o 2.12069  0.261535  5.29249      1.10927  5.40062      1.57317  5.18558      1.56435  1.91388  0.422318  1.8635   0.428433  
1 1 1 37 7  41 o 1.39813  0.423954  3.27886      1.28824  1.70969      1.81723  4.86404      1.82649  0.987176 0.442889  1.53911  0.509507  
1 1 1 37 7  42 o 0.685268 0.324497  -0.0450492   1.19289  -0.153658    1.64037  0.0768527    1.73786  0.734396 0.356225  0.760891 0.368425  
1 1 1 37 8  0  o 8.49459  0.108775  72.2029      1.84731  72.2029      1.84731  72.2029      1.84731  8.49591  0.0768892 ?        ?         
1 1 1 37 8  1  o 2.21879  0.115105  4.92446      0.510789 5.03907      0.708944 4.80075      0.736576 2.24417  0.157953  2.19038  0.168139  
1 1 1 37 8  2  o 13.6231  0.102999  185.632      2.80633  184.45       3.9005   186.9        4.04071  13.5781  0.143632  13.6678  0.147819  
1 1 1 37 8  3  o 18.594   0.139606  345.889      5.19169  347.297      7.47047  344.573      7.22022  18.6274  0.200524  18.5547  0.194566  
1 1 1 37 8  4  o 14.9551  0.114948  223.724      3.43811  223.557      4.93132  223.883      4.79596  14.9471  0.164959  14.9583  0.160311  
1 1 1 37 8  5  o 2.76887  0.0932994 7.66821      0.516667 8.1145       0.746825 7.25853      0.715533 2.84801  0.131114  2.6936   0.132821  
1 1 1 37 8  6  o 6.66788  0.0727309 44.4664      0.969921 44.2517      1.45221  44.6393      1.3032   6.6512   0.109169  6.68047  0.0975383 
1 1 1 37 8  7  f 12.5593  0.099668  157.777      2.50352  157.081      3.84738  158.288      3.29702  12.5293  0.153535  12.5784  0.131059  
1 1 1 37 8  8  o 16.6798  0.123597  278.331      4.12314  273.358      5.90653  283.057      5.75828  16.5263  0.178701  16.8175  0.171199  
1 1 1 37 8  9  o 5.91252  0.0732334 34.9633      0.865987 35.284       1.26673  34.682       1.18657  5.93904  0.106645  5.88827  0.100757  
1 1 1 37 8  10 o 4.46679  0.0822545 19.9564      0.734828 19.1059      1.00881  20.9178      1.07251  4.37011  0.115422  4.57262  0.117276  
1 1 1 37 8  11 o 6.35698  0.0800482 40.4202      1.01773  41.4615      1.57435  39.6726      1.33392  6.43738  0.122282  6.29739  0.105911  
1 1 1 37 8  12 o 18.8078  0.140402  354.014      5.28132  343.949      7.38964  364.522      7.55079  18.531   0.199386  19.0774  0.197899  
1 1 1 37 8  13 o 12.9689  0.105698  168.279      2.74157  165.253      3.84287  171.416      3.91241  12.8484  0.149546  13.0858  0.14949   
1 1 1 37 8  14 o 10.5479  0.0880635 111.303      1.85777  105.849      2.61157  116.89       2.64328  10.284   0.126972  10.8074  0.12229   
1 1 1 37 8  15 o 10.5     0.0919129 110.305      1.93018  110.199      2.79105  110.401      2.67219  10.4922  0.133006  10.5023  0.12722   
1 1 1 37 8  16 o 3.851    0.0908635 14.8382      0.69983  14.5889      0.961008 15.1197      1.02115  3.81753  0.125868  3.88618  0.131382  
1 1 1 37 8  17 o 13.6793  0.109279  187.293      2.98972  186.984      4.16235  187.624      4.29706  13.662   0.152333  13.6846  0.157003  
1 1 1 37 8  18 o 2.73393  0.124717  7.48511      0.681934 8.2199       0.919104 6.58522      1.01713  2.86363  0.160479  2.56151  0.198541  
1 1 1 37 8  19 o 3.67101  0.0983116 13.4904      0.721806 13.6616      0.977251 13.2849      1.07071  3.69268  0.132323  3.6406   0.147052  
1 1 1 37 8  20 o 4.28539  0.0875848 18.3819      0.750671 19.3065      1.03734  17.3653      1.08767  4.39015  0.118144  4.1628   0.130641  
1 1 1 37 8  21 o 3.14458  0.110062  9.90538      0.692198 10.5458      0.967651 9.23427      0.990582 3.24228  0.149224  3.03304  0.163299  
1 1 1 37 8  22 o 2.51067  0.137734  6.32281      0.691611 5.83636      0.949463 6.87269      1.00946  2.40823  0.197129  2.61364  0.193114  
1 1 1 37 8  23 o 1.50889  0.216984  2.29689      0.654811 2.68413      0.918061 1.89588      0.934235 1.60027  0.297962  1.33693  0.346592  
1 1 1 37 8  24 o 4.69494  0.0925974 22.082       0.869479 20.7959      1.20581  23.4751      1.25491  4.55195  0.13245   4.83665  0.129729  
1 1 1 37 8  25 o 2.02973  0.183175  4.15336      0.743592 4.87443      1.02579  3.35488      1.07945  2.19331  0.233846  1.81224  0.297823  
1 1 1 37 8  26 o 3.92233  0.109672  15.4375      0.86034  17.6717      1.22334  13.2511      1.21018  4.19115  0.145943  3.62593  0.166878  
1 1 1 37 8  27 o 1.28929  0.299852  1.77571      0.759277 2.88474      1.1156   0.818684     1.03633  1.63646  0.350991  1.00628  0.37881   
1 1 1 37 8  28 o 2.76272  0.154239  7.69785      0.852238 7.34534      1.25717  7.9976       1.15926  2.68371  0.234224  2.80641  0.206538  
1 1 1 37 8  29 o 1.6781   0.250055  2.88572      0.839234 2.77001      1.17961  3.00432      1.19424  1.59041  0.376261  1.65904  0.369518  
1 1 1 37 8  30 o 3.20997  0.133786  10.3931      0.858896 9.96275      1.18128  10.8758      1.25105  3.1297   0.18872   3.2692   0.191339  
1 1 1 37 8  31 o 2.28547  0.1848    5.32148      0.844712 5.2092       1.16773  5.44471      1.22343  2.24075  0.260566  2.28869  0.267276  
1 1 1 37 8  32 o 1.26865  0.323197  1.77557      0.82254  2.07388      1.18998  1.50265      1.13823  1.35657  0.406689  1.18787  0.402214  
1 1 1 37 8  33 o 0.918978 0.341905  0.764214     0.839362 1.40014      1.20034  0.155712     1.17417  1.15729  0.411409  0.873802 0.374792  
1 1 1 37 8  34 o 0.591267 0.278772  -0.871001    0.868146 -1.37345     1.21381  -0.344808    1.24216  0.674078 0.32214   0.81063  0.364821  
1 1 1 37 8  35 o 0.989715 0.351884  1.007        0.878146 2.51662      1.25682  -0.432956    1.22748  1.45275  0.412979  0.786439 0.357427  
1 1 1 37 8  36 o 2.48262  0.193157  6.43102      0.959074 5.13821      1.30599  7.94433      1.41298  2.15444  0.303094  2.71349  0.260363  
1 1 1 37 8  37 o 1.51116  0.307401  2.63683      0.896787 3.65839      1.23297  1.4894       1.30673  1.74075  0.365755  1.12826  0.425242  
1 1 1 37 8  38 o 0.635304 0.297358  -0.565962    0.939438 0.685615     1.32681  -1.82417     1.33033  0.934376 0.399511  0.638421 0.312216  
1 1 1 37 8  39 o 1.11312  0.373269  1.64148      0.980302 1.00798      1.38234  2.28238      1.39041  0.974189 0.411804  1.24176  0.44265   
1 1 1 37 8  40 f 0.796234 0.348331  0.498111     1.05327  0.259014     1.47459  0.747163     1.50497  0.828063 0.381788  0.892694 0.401669  
1 1 1 37 8  41 f 0.798205 0.36322   0.622231     1.27615  1.61483      1.97617  -0.0877931   1.67137  0.938761 0.436307  0.769229 0.370099  
1 1 1 37 8  42 o 0.971411 0.394713  1.78874      1.20355  2.78387      1.67669  0.730975     1.72865  1.06489  0.452006  0.815899 0.388373  
1 1 1 37 9  0  o 5.37127  0.100478  28.8842      1.07853  28.8842      1.07853  28.8842      1.07853  5.37284  0.0709996 ?        ?         
1 1 1 37 9  1  o 10.7806  0.0845286 116.24       1.82254  115.067      2.56487  117.437      2.59023  10.7251  0.119573  10.835   0.11953   
1 1 1 37 9  2  o 9.16635  0.0753693 84.0332      1.38172  84.4841      1.94759  83.5762      1.96057  9.19031  0.105959  9.14076  0.107243  
1 1 1 37 9  3  o 18.6635  0.140179  348.49       5.23248  347.467      7.2941   349.575      7.51033  18.6319  0.195742  18.6879  0.200941  
1 1 1 37 9  4  o 16.0315  0.125553  257.108      4.0256   255.395      5.743    258.763      5.64438  15.9747  0.179753  16.08    0.175509  
1 1 1 37 9  5  o 1.2667   0.197553  1.60612      0.500482 0.769207     0.745208 2.29376      0.675493 0.930793 0.324821  1.51356  0.223147  
1 1 1 37 9  6  o 15.1976  0.11431   231.046      3.47446  230.642      5.09909  231.396      4.74704  15.1812  0.167941  15.2068  0.156083  
1 1 1 37 9  7  o 5.71618  0.070778  32.6792      0.80916  32.325       1.19454  32.9795      1.09995  5.68464  0.105067  5.74205  0.0957804 
1 1 1 37 9  8  o 7.99255  0.0760899 63.8916      1.2163   62.3876      1.74321  65.3185      1.69792  7.89718  0.110369  8.08068  0.10506   
1 1 1 37 9  9  o 1.50294  0.181975  2.26114      0.546994 1.73076      0.765243 2.81524      0.782167 1.28803  0.301984  1.67645  0.23328   
1 1 1 37 9  10 o 9.11791  0.0822606 83.1552      1.50009  82.6194      2.19188  83.6273      2.05739  9.08728  0.120601  9.14284  0.112514  
1 1 1 37 9  11 o 13.0707  0.103218  170.912      2.69826  168.71       3.72229  173.351      3.91699  12.9837  0.143345  13.1606  0.148814  
1 1 1 37 9  12 o 10.2915  0.0911127 105.954      1.87538  108.691      2.84015  103.839      2.49719  10.4212  0.136268  10.1867  0.122571  
1 1 1 37 9  13 o 4.97688  0.0799304 24.7772      0.795608 25.5066      1.14138  24.0878      1.10961  5.04881  0.113035  4.90638  0.113078  
1 1 1 37 9  14 o 20.3187  0.148724  413.354      6.04375  411.183      8.71283  415.368      8.39058  20.2518  0.215112  20.3568  0.206088  
1 1 1 37 9  15 o 11.1254  0.0905168 123.837      2.01407  122.982      2.88283  124.653      2.81503  11.0839  0.130046  11.1593  0.12613   
1 1 1 37 9  16 o 6.58452  0.0776969 43.3744      1.02319  42.4791      1.41961  44.3423      1.47606  6.51484  0.108952  6.65608  0.110881  
1 1 1 37 9  17 o 1.74829  0.180554  3.06476      0.631319 3.44492      0.918243 2.72397      0.869397 1.8513   0.247999  1.64566  0.264148  
1 1 1 37 9  18 f 6.00505  0.0797314 36.0842      0.957582 36.1062      1.27859  36.0561      1.4451   6.00538  0.106453  6.00025  0.12042   
1 1 1 37 9  19 o 2.60892  0.127862  6.81902      0.667162 7.3361       0.899536 6.18683      0.994634 2.70429  0.166317  2.48169  0.200394  
1 1 1 37 9  20 o 5.085    0.0822065 25.8802      0.83604  26.6324      1.16359  25.0775      1.20203  5.15634  0.112831  5.00299  0.120131  
1 1 1 37 9  21 o 4.68383  0.0869667 21.9628      0.814674 23.2106      1.13623  20.6427      1.16871  4.81272  0.118044  4.5378   0.128775  
1 1 1 37 9  22 o 4.11363  0.0916823 16.9464      0.754294 16.6908      1.04666  17.2226      1.08801  4.07964  0.128279  4.14384  0.13128   
1 1 1 37 9  23 o 3.36838  0.107801  11.3721      0.726228 12.0068      1.01104  10.6954      1.04382  3.45781  0.146197  3.26217  0.159989  
1 1 1 37 9  24 o 5.71403  0.0856273 32.7025      0.978554 35.2812      1.41007  30.3069      1.3591   5.9307   0.118879  5.49604  0.123644  
1 1 1 37 9  25 o 6.18728  0.0915474 38.3653      1.13286  38.6331      1.56309  38.069       1.6442   6.20292  0.125996  6.15593  0.133546  
1 1 1 37 9  26 o 1.70774  0.21017   2.95451      0.71783  2.50077      0.993017 3.45112      1.03886  1.52813  0.33411   1.83622  0.282881  
1 1 1 37 9  27 o 4.14291  0.11373   17.2388      0.942347 18.3709      1.4156   16.3379      1.26281  4.2661   0.165912  4.02512  0.156866  
1 1 1 37 9  28 o 1.39429  0.299836  2.0795       0.812122 1.45198      1.17976  2.64468      1.11963  1.20269  0.409485  1.55983  0.364997  
1 1 1 37 9  29 o 3.09219  0.138675  9.6353       0.857622 8.85747      1.18802  10.4818      1.23933  2.95213  0.201214  3.21353  0.192829  
1 1 1 37 9  30 o 4.36447  0.113996  19.1727      0.995062 19.5809      1.40906  18.7666      1.40541  4.39696  0.160231  4.30351  0.163287  
1 1 1 37 9  31 o 0.81021  0.328277  0.356168     0.82956  0.988536     1.16532  -0.293538    1.18119  1.0599   0.400956  0.808498 0.360035  
1 1 1 37 9  32 o 0.823845 0.329376  0.430595     0.819515 1.11909      1.16638  -0.240668    1.1517   1.08738  0.403344  0.80309  0.35669   
1 1 1 37 9  33 f 0.668027 0.29922   -0.262435    0.826501 0.153394     1.17615  -0.668097    1.16168  0.872302 0.37466   0.738651 0.339892  
1 1 1 37 9  34 o 2.9234   0.162594  8.72831      0.950658 9.67476      1.38462  7.88428      1.30755  3.04775  0.227154  2.74592  0.23809   
1 1 1 37 9  35 o 1.07234  0.363003  1.26889      0.927125 4.18251      1.30913  -1.66277     1.31318  1.91108  0.355786  0.673899 0.325166  
1 1 1 37 9  36 o 2.35688  0.194269  5.8096       0.91574  5.5689       1.28688  6.05651      1.30338  2.25137  0.2858    2.35443  0.276793  
1 1 1 37 9  37 o 1.26988  0.347725  1.95566      0.908721 3.65921      1.26444  0.135876     1.30686  1.7249   0.376917  0.862555 0.381925  
1 1 1 37 9  38 o 1.11155  0.367892  1.5821       0.952264 1.73252      1.34479  1.43083      1.34863  1.13738  0.430591  1.0713   0.424384  
1 1 1 37 9  39 o 0.607882 0.288482  -0.698254    0.947405 -2.9986      1.34755  1.55013      1.33224  0.554573 0.278348  1.06153  0.421392  
1 1 1 37 9  40 o 0.926575 0.374969  1.1472       1.08049  0.784104     1.55986  1.48211      1.4981   0.899081 0.406492  0.997672 0.425479  
1 1 1 37 9  41 o 0.662744 0.320467  -0.569881    1.29799  1.20918      1.93887  -2.01476     1.74731  0.885559 0.417256  0.648847 0.324153  
1 1 1 37 9  42 o 0.769366 0.353428  0.677802     1.25022  -0.60584     1.63224  2.49986      1.94466  0.691097 0.340238  0.961829 0.4414    
1 1 1 37 10 0  o 7.68167  0.101419  59.0463      1.55753  59.0463      1.55753  59.0463      1.55753  7.68291  0.0716886 ?        ?         
1 1 1 37 10 1  o 11.1912  0.0884014 125.268      1.97864  124.243      2.74949  126.369      2.84965  11.1443  0.123358  11.2392  0.126773  
1 1 1 37 10 2  o 1.76667  0.147302  3.12282      0.52047  2.74865      0.757397 3.4576       0.716422 1.65682  0.22857   1.8586   0.192732  
1 1 1 37 10 3  o 5.15811  0.0711962 26.6095      0.734476 24.6524      1.06473  28.3863      1.0145   4.96439  0.107237  5.32726  0.0952177 
1 1 1 37 10 4  o 7.80865  0.0732358 60.9835      1.14375  59.6518      1.64197  62.2387      1.59409  7.72231  0.106314  7.88809  0.101044  
1 1 1 37 10 5  o 10.6269  0.0857212 112.953      1.8219   112.223      2.78244  113.501      2.4105   10.591   0.131358  10.6518  0.11315   
1 1 1 37 10 6  o 8.49067  0.0745817 72.1028      1.2665   72.4621      1.82855  71.7715      1.75586  8.51108  0.107422  8.47052  0.103645  
1 1 1 37 10 7  o 10.413   0.0829816 108.452      1.72817  108.202      2.44991  108.7        2.43813  10.3999  0.117786  10.4238  0.11695   
1 1 1 37 10 8  o 7.9412   0.0764003 63.074       1.21342  62.2403      1.70089  63.9381      1.7316   7.88783  0.107817  7.99468  0.108297  
1 1 1 37 10 9  o 5.08616  0.0873944 25.8756      0.889004 24.0588      1.23001  27.8628      1.28636  4.90368  0.125417  5.27721  0.121879  
1 1 1 37 10 10 o 12.4486  0.100849  155.027      2.51085  154.293      3.56144  155.752      3.5404   12.4167  0.143414  12.4753  0.141896  
1 1 1 37 10 11 o 12.0357  0.0963601 144.916      2.31953  143.263      3.27612  146.578      3.28451  11.9644  0.136912  12.1021  0.1357    
1 1 1 37 10 12 o 4.0098   0.0885434 16.0845      0.710084 15.4999      0.997678 16.6847      1.01087  3.93548  0.126754  4.0832   0.123784  
1 1 1 37 10 13 o 7.28042  0.0790536 53.0222      1.15109  53.3784      1.5752   52.6139      1.68623  7.3038   0.107834  7.25095  0.116277  
1 1 1 37 10 14 o 8.76615  0.0838709 76.8773      1.47045  78.3043      2.23446  75.7873      1.95292  8.8448   0.126315  8.70235  0.112207  
1 1 1 37 10 15 o 5.51618  0.075173  30.4397      0.829336 29.6442      1.16701  31.2513      1.17879  5.44255  0.107212  5.5882   0.105472  
1 1 1 37 10 16 o 7.71459  0.0794267 59.5436      1.22549  59.8246      1.73381  59.263       1.7324   7.73089  0.112135  7.69449  0.112574  
1 1 1 37 10 17 o 8.64128  0.082275  74.718       1.42192  74.1869      1.97991  75.2838      2.04339  8.60796  0.115005  8.6711   0.117828  
1 1 1 37 10 18 o 11.2164  0.0933403 125.926      2.09389  126.501      2.90002  125.299      3.02643  11.2373  0.129036  11.1828  0.135316  
1 1 1 37 10 19 o 3.89072  0.0929656 15.1534      0.723406 16.6487      0.995722 13.4819      1.05276  4.07662  0.122126  3.66721  0.143537  
1 1 1 37 10 20 o 3.93862  0.0957097 15.5325      0.753928 16.8612      1.04932  14.1147      1.08396  4.10155  0.127917  3.7515   0.14447   
1 1 1 37 10 21 o 3.86222  0.0961646 14.9383      0.742818 14.5349      1.01274  15.4081      1.09284  3.80715  0.133005  3.9193   0.139417  
1 1 1 37 10 22 f 4.50294  0.0876527 20.3048      0.78939  21.0064      1.10213  19.5657      1.13116  4.57724  0.120393  4.41671  0.128055  
1 1 1 37 10 23 o 4.47025  0.0920293 20.0177      0.822788 20.1159      1.15828  19.9178      1.16899  4.47747  0.129345  4.45515  0.131196  
1 1 1 37 10 24 o 3.71988  0.108333  13.875       0.805972 13.1801      1.10793  14.6561      1.17462  3.62069  0.153001  3.81793  0.153829  
1 1 1 37 10 25 o 1.77826  0.20543   3.19893      0.730618 3.79444      0.994874 2.50176      1.07644  1.93054  0.257667  1.52592  0.358423  
1 1 1 37 10 26 f 2.30615  0.166225  5.36357      0.766679 6.39472      1.11408  4.43593      1.05669  2.50977  0.221948  2.08561  0.253329  
1 1 1 37 10 27 o 5.73157  0.102303  32.9739      1.17271  33.2119      1.75807  32.7831      1.57406  5.73881  0.153174  5.70615  0.137927  
1 1 1 37 10 28 o 1.04227  0.338039  1.10923      0.804164 0.559509     1.1497   1.63578      1.12522  0.971264 0.389371  1.24728  0.3994    
1 1 1 37 10 29 o 2.48966  0.167385  6.27047      0.833462 5.88117      1.15651  6.69113      1.2022   2.39605  0.241337  2.55728  0.235055  
1 1 1 37 10 30 o 1.02227  0.34376   1.06095      0.831436 0.948762     1.18609  1.16933      1.16583  1.05994  0.403472  1.1114   0.404412  
1 1 1 37 10 31 f 1.72859  0.237924  3.08693      0.822545 3.41819      1.14597  2.73489      1.18135  1.76686  0.336405  1.55957  0.381389  
1 1 1 37 10 32 o 1.36596  0.31158   2.05482      0.832686 2.31353      1.18278  1.80059      1.17248  1.42374  0.39932   1.27136  0.407761  
1 1 1 37 10 33 o 2.37402  0.188366  5.78673      0.89437  4.03683      1.24426  7.65732      1.28646  1.93521  0.321479  2.71024  0.237332  
1 1 1 37 10 34 o 3.07173  0.153344  9.62724      0.942062 8.86588      1.33131  10.3908      1.33324  2.91279  0.228529  3.16357  0.210718  
1 1 1 37 10 35 o 0.945059 0.354364  0.866833     0.905142 -0.115035    1.26247  1.9054       1.29841  0.836254 0.372311  1.2648   0.429584  
1 1 1 37 10 36 o 1.1733   0.355879  1.63758      0.907658 2.72867      1.26392  0.475707     1.30428  1.47412  0.412575  0.929776 0.396777  
1 1 1 37 10 37 o 1.88582  0.247445  3.88324      0.933275 4.44775      1.31262  3.30612      1.3272   1.9195   0.355281  1.59719  0.412653  
1 1 1 37 10 38 o 0.947568 0.359063  1.03675      0.935836 1.32056      1.30474  0.736047     1.34304  1.04267  0.416039  0.935403 0.401012  
1 1 1 37 10 39 o 1.87348  0.277632  4.14313      1.04028  3.88078      1.48876  4.39345      1.45421  1.5876   0.448885  1.74204  0.421374  
1 1 1 37 10 40 o 0.738649 0.338334  0.0685975    1.13651  -1.92451     1.62766  1.96484      1.58761  0.666195 0.32956   1.06919  0.446056  
1 1 1 37 10 41 o 0.818754 0.370095  0.892828     1.29235  1.39032      1.90526  0.46886      1.75884  0.886075 0.416366  0.801858 0.384299  
1 1 1 37 10 42 o 0.706102 0.331145  0.381152     1.18623  1.31132      1.60785  -0.729882    1.75724  0.820411 0.384893  0.677034 0.336364  
1 1 1 37 11 0  o 7.40667  0.101065  54.8967      1.49648  54.8967      1.49648  54.8967      1.49648  7.40795  0.0714363 ?        ?         
1 1 1 37 11 1  o 16.2199  0.121994  263.187      3.95746  259.51       5.66655  266.688      5.52935  16.1027  0.17595   16.3244  0.169359  
1 1 1 37 11 2  o 20.4606  0.145926  418.871      5.97144  416.1        8.49258  421.581      8.39798  20.3867  0.208287  20.5209  0.20462   
1 1 1 37 11 3  o 13.1846  0.102441  173.883      2.7013   175.831      3.96943  172.203      3.68664  13.2561  0.149722  13.1191  0.140507  
1 1 1 37 11 4  o 9.20539  0.0826482 84.7553      1.52162  84.9322      2.30727  84.6192      2.0242   9.21385  0.125207  9.19731  0.110043  
1 1 1 37 11 5  o 6.52699  0.0684411 42.6073      0.893429 41.9969      1.30788  43.1414      1.22335  6.47955  0.100923  6.56739  0.0931385 
1 1 1 37 11 6  o 3.26201  0.0857608 10.6431      0.559505 10.5656      0.787509 10.722       0.795065 3.24977  0.121164  3.27372  0.121431  
1 1 1 37 11 7  o 7.2149   0.0728552 52.0635      1.05129  52.7131      1.50381  51.4425      1.47024  7.25916  0.10358   7.17116  0.102511  
1 1 1 37 11 8  o 15.4175  0.121014  237.818      3.73148  233.537      5.06085  242.917      5.5237   15.2749  0.165659  15.5775  0.177297  
1 1 1 37 11 9  o 15.9032  0.116799  253.039      3.71494  253.985      5.34137  252.152      5.17024  15.9285  0.167667  15.8714  0.162879  
1 1 1 37 11 10 o 12.32    0.092817  151.836      2.287    152.791      3.20438  150.845      3.2651   12.3564  0.129664  12.2773  0.132973  
1 1 1 37 11 11 o 7.30901  0.0769804 53.4364      1.1253   55.2617      1.69714  52.0044      1.50327  7.43154  0.114185  7.20957  0.104255  
1 1 1 37 11 12 o 6.86733  0.0760144 47.1742      1.04403  47.8112      1.52279  46.6093      1.43416  6.91241  0.110149  6.82516  0.105064  
1 1 1 37 11 13 o 11.2333  0.0967668 126.255      2.17403  127.99       3.10131  124.579      3.04846  11.3072  0.137138  11.1556  0.136634  
1 1 1 37 11 14 o 7.00004  0.0817563 49.0213      1.14459  48.0155      1.64455  49.9662      1.59403  6.9262   0.11872   7.0658   0.112799  
1 1 1 37 11 15 o 6.67082  0.0780148 44.5193      1.04085  44.5312      1.43771  44.5061      1.50882  6.67036  0.107769  6.66819  0.113136  
1 1 1 37 11 16 o 3.41196  0.0962517 11.6505      0.656813 11.6551      0.940219 11.6461      0.917929 3.41122  0.137813  3.41003  0.134592  
1 1 1 37 11 17 o 9.7555   0.0851644 95.2406      1.66164  94.0622      2.2706   96.5994      2.43817  9.6918   0.11714   9.8208   0.124133  
1 1 1 37 11 18 f 5.75184  0.0819102 33.1086      0.942268 32.719       1.3084   33.5283      1.35812  5.71584  0.114454  5.78587  0.117365  
1 1 1 37 11 19 o 11.2427  0.100398  126.563      2.2575   126.172      3.11248  126.997      3.27922  11.2187  0.138719  11.2538  0.145693  
1 1 1 37 11 20 o 4.93821  0.0854354 24.4119      0.843796 23.8223      1.1692   25.0528      1.21897  4.87565  0.119902  4.99982  0.121901  
1 1 1 37 11 21 o 5.50156  0.0820826 30.3011      0.903164 30.2426      1.21846  30.3726      1.3455   5.49364  0.110897  5.50422  0.122224  
1 1 1 37 11 22 o 5.08041  0.085048  25.8464      0.864158 25.3607      1.16548  26.4396      1.28788  5.02947  0.115865  5.1342   0.125421  
1 1 1 37 11 23 o 7.77775  0.0829208 60.5813      1.28987  62.0047      1.85696  59.2543      1.79304  7.86282  0.118085  7.68672  0.116632  
1 1 1 37 11 24 o 3.19603  0.11992   10.2506      0.766536 11.5134      1.0401   8.74942      1.13408  3.38336  0.153708  2.94461  0.192569  
1 1 1 37 11 25 o 6.2067   0.0869244 38.6064      1.07903  37.5821      1.49951  39.7064      1.5539   6.1174   0.122561  6.28769  0.123567  
1 1 1 37 11 26 o 2.48435  0.156669  6.22058      0.778445 6.32153      1.13562  6.13111      1.06916  2.49335  0.227729  2.45729  0.217549  
1 1 1 37 11 27 o 2.73921  0.150335  7.56428      0.8236   7.48468      1.16648  7.64341      1.16302  2.7132   0.214964  2.74243  0.212042  
1 1 1 37 11 28 o 2.89177  0.144747  8.43145      0.837151 9.83245      1.17308  6.97747      1.19505  3.11397  0.188357  2.61471  0.228525  
1 1 1 37 11 29 o 1.49684  0.285274  2.39352      0.823331 2.2289       1.22786  2.528        1.1098   1.41899  0.409761  1.51433  0.369246  
1 1 1 37 11 30 o 3.87449  0.124825  15.1365      0.967262 14.6223      1.38594  15.6247      1.35057  3.79015  0.182835  3.92181  0.172187  
1 1 1 37 11 31 o 2.25468  0.187602  5.19102      0.845968 5.30888      1.16961  5.06171      1.22508  2.25893  0.258886  2.19899  0.278554  
1 1 1 37 11 32 o 1.34493  0.314935  2.00167      0.833093 3.63665      1.16242  0.274982     1.19458  1.81612  0.332402  0.904014 0.382511  
1 1 1 37 11 33 o 1.5262   0.294893  2.5519       0.868002 3.83402      1.25622  1.38052      1.20074  1.84904  0.352358  1.14816  0.411145  
1 1 1 37 11 34 o 0.672093 0.302953  -0.295694    0.85998  0.583799     1.23515  -1.12319     1.19808  0.961644 0.396802  0.690576 0.326157  
1 1 1 37 11 35 o 0.857822 0.342032  0.57652      0.881244 0.641035     1.19307  0.499061     1.30728  0.946753 0.390206  0.944884 0.399994  
1 1 1 37 11 36 o 1.83656  0.247364  3.63591      0.9086   3.63379      1.25096  3.63829      1.32188  1.73651  0.371052  1.72063  0.392642  
1 1 1 37 11 37 o 0.549396 0.266423  -1.24834     0.916544 -1.04623     1.30284  -1.44639     1.28964  0.704073 0.335822  0.661738 0.319887  
1 1 1 37 11 38 o 2.46167  0.202526  6.53426      0.997108 6.27821      1.38926  6.80629      1.43196  2.31541  0.300003  2.41495  0.296477  
1 1 1 37 11 39 o 1.22949  0.380524  2.1681       1.03072  1.67923      1.47537  2.63419      1.44057  1.05592  0.434345  1.26131  0.45047   
1 1 1 37 11 40 o 0.760978 0.341386  0.32559      1.07958  2.13338      1.58702  -1.23146     1.47286  1.08771  0.449377  0.675526 0.329932  
1 1 1 37 11 41 o 0.85149  0.372086  1.18527      1.19904  0.464935     1.7858   1.77659      1.618    0.790378 0.380832  0.919887 0.415048  
1 1 1 37 11 42 o 0.842845 0.36916   1.56057      1.1859   2.22834      1.59581  0.736946     1.77228  0.874393 0.400679  0.734818 0.359593  
1 1 1 37 12 0  o 3.61719  0.125027  13.1337      0.902042 13.1337      0.902042 13.1337      0.902042 3.62063  0.0882023 ?        ?         
1 1 1 37 12 1  o 20.3722  0.148997  415.284      6.07079  408.368      8.34613  423.054      8.84647  20.1959  0.206629  20.5548  0.215192  
1 1 1 37 12 2  o 14.795   0.11026   218.967      3.26257  219.913      4.75505  218.125      4.48476  14.824   0.160383  14.7642  0.15188   
1 1 1 37 12 3  o 7.41166  0.0696441 54.9405      1.03236  56.3224      1.49012  53.665       1.43159  7.50375  0.0992916 7.32462  0.0977243 
1 1 1 37 12 4  o 14.2604  0.109554  203.432      3.12458  203.324      4.42933  203.539      4.40838  14.2541  0.155371  14.2616  0.154554  
1 1 1 37 12 5  o 14.3404  0.107592  205.719      3.08583  202.441      4.41433  208.852      4.31539  14.2229  0.155184  14.4467  0.149355  
1 1 1 37 12 6  f 20.5591  0.158693  423.015      6.52518  420.484      9.06073  425.743      9.40489  20.4897  0.221105  20.6164  0.228092  
1 1 1 37 12 7  o 9.81065  0.0935737 96.2778      1.83604  94.6576      2.55858  97.9979      2.63627  9.72632  0.131528  9.89637  0.133194  
1 1 1 37 12 8  o 12.655   0.0979748 160.207      2.47974  161.379      3.61902  159.169      3.40457  12.6986  0.142496  12.6119  0.134975  
1 1 1 37 12 9  f 5.26326  0.0751271 27.7084      0.790827 26.4811      1.15557  28.7896      1.0846   5.14461  0.112308  5.36444  0.101092  
1 1 1 37 12 10 o 5.55507  0.0768237 30.8672      0.853522 29.1853      1.31483  32.0921      1.12208  5.40048  0.121733  5.66369  0.0990588 
1 1 1 37 12 11 o 2.53942  0.115937  6.45306      0.588828 7.17172      0.857457 5.81171      0.810023 2.67627  0.160196  2.40903  0.168122  
1 1 1 37 12 12 o 4.36883  0.0797624 19.0935      0.696937 19.5525      1.01285  18.6807      0.960467 4.42021  0.114571  4.32064  0.111149  
1 1 1 37 12 13 o 9.05668  0.084604  82.0594      1.53246  81.2378      2.21159  82.8183      2.12544  9.00902  0.122743  9.09663  0.116826  
1 1 1 37 12 14 o 12.0907  0.0953511 146.275      2.30571  147.661      3.35682  145.037      3.17252  12.1436  0.138214  12.0359  0.131794  
1 1 1 37 12 15 o 3.21871  0.103005  10.3687      0.663084 9.51972      0.936351 11.2227      0.93914  3.08259  0.151877  3.34742  0.140278  
1 1 1 37 12 16 o 4.31018  0.0837179 18.5899      0.721678 18.6468      1.00144  18.5284      1.04092  4.31548  0.116029  4.30152  0.120994  
1 1 1 37 12 17 o 5.00715  0.083933  25.0906      0.840531 24.4023      1.12561  25.9582      1.26373  4.93643  0.11401   5.09071  0.124121  
1 1 1 37 12 18 o 2.01112  0.153837  4.05606      0.618768 4.83425      0.873586 3.27255      0.876562 2.19347  0.199133  1.80262  0.243135  
1 1 1 37 12 19 o 8.94966  0.0850025 80.1765      1.52149  79.4086      2.10948  81.0091      2.19658  8.9025   0.118477  8.99122  0.122151  
1 1 1 37 12 20 o 3.82296  0.0931137 14.6345      0.71194  15.3505      0.978123 13.8278      1.03823  3.91322  0.124977  3.71294  0.139813  
1 1 1 37 12 21 o 2.72251  0.1201    7.43108      0.653947 8.2294       0.903714 6.55355      0.94748  2.86232  0.157864  2.55214  0.185625  
1 1 1 37 12 22 o 1.43343  0.222421  2.07514      0.63765  1.36101      0.890385 2.82701      0.913609 1.15014  0.353209  1.66891  0.273715  
1 1 1 37 12 23 o 1.99898  0.167913  4.02106      0.671307 4.0982       0.902811 3.92566      1.00397  2.01319  0.224224  1.96715  0.255184  
1 1 1 37 12 24 o 4.25197  0.0993623 18.1261      0.844971 17.7088      1.12644  18.6632      1.27775  4.19833  0.134153  4.30774  0.148309  
1 1 1 37 12 25 o 5.15745  0.0901603 26.6637      0.929995 26.292       1.28626  27.0708      1.34621  5.11561  0.125719  5.19005  0.129692  
1 1 1 37 12 26 o 2.99964  0.139747  9.05739      0.838378 10.8277      1.27281  7.70068      1.11424  3.2694   0.194655  2.75578  0.202164  
1 1 1 37 12 27 o 3.14783  0.13052   9.96914      0.821707 9.98967      1.13369  9.94643      1.19269  3.14224  0.180395  3.13337  0.190321  
1 1 1 37 12 28 o 1.11837  0.326019  1.33263      0.773694 1.28462      1.07187  1.38486      1.11792  1.13596  0.390216  1.17142  0.398609  
1 1 1 37 12 29 o 1.15909  0.326939  1.45692      0.79067  1.34427      1.09526  1.57952      1.14259  1.14856  0.394461  1.22139  0.402983  
1 1 1 37 12 30 o 2.42733  0.185833  6.00731      0.902159 5.04478      1.31251  6.86935      1.2421   2.19075  0.299556  2.57868  0.240839  
1 1 1 37 12 31 o 0.633001 0.288704  -0.459595    0.816365 -1.30258     1.13167  0.455064     1.1788   0.655205 0.312626  0.939534 0.387656  
1 1 1 37 12 32 f 0.755542 0.32104   0.126117     0.84739  1.56541      1.17711  -1.42215     1.22086  1.19841  0.409026  0.673321 0.322088  
1 1 1 37 12 33 o 2.94269  0.156959  8.82377      0.923766 9.73455      1.33213  7.9801       1.28211  3.06469  0.217335  2.76823  0.231576  
1 1 1 37 12 34 o 2.61296  0.178986  7.02406      0.935368 6.55158      1.30298  7.52644      1.34358  2.48382  0.262293  2.66834  0.251762  
1 1 1 37 12 35 o 1.44011  0.320333  2.39153      0.89848  2.61718      1.28334  2.17458      1.25832  1.44804  0.419163  1.32406  0.422199  
1 1 1 37 12 36 o 1.38046  0.333586  2.25981      0.912082 3.34439      1.28232  1.14927      1.29757  1.63883  0.395237  1.05195  0.416413  
1 1 1 37 12 37 o 1.01648  0.359942  1.24194      0.917992 0.134067     1.25226  2.52887      1.34967  0.831648 0.370516  1.34986  0.437947  
1 1 1 37 12 38 o 0.720759 0.319653  0.0679759    0.920406 0.862923     1.31095  -0.704817    1.29255  0.944842 0.400294  0.720223 0.339743  
1 1 1 37 12 39 f 0.91887  0.367883  1.0896       1.02438  1.63364      1.48221  0.592137     1.41735  1.03411  0.43118   0.866659 0.389886  
1 1 1 37 12 40 o 0.725845 0.332304  0.181797     1.09484  -0.3427      1.62328  0.619498     1.48289  0.756122 0.364023  0.834942 0.384124  
1 1 1 37 12 41 o 0.576663 0.283996  -1.21192     1.17497  -2.01371     1.74636  -0.548772    1.5882   0.638107 0.319054  0.699826 0.341987  
1 1 1 37 13 0  o 25.9892  0.269662  676.39       14.0132  676.39       14.0132  676.39       14.0132  25.9983  0.19059   ?        ?         
1 1 1 37 13 1  o 7.18395  0.0734636 51.6176      1.05552  51.5328      1.53984  51.6927      1.44969  7.17738  0.107271  7.18866  0.100832  
1 1 1 37 13 2  o 30.3155  0.215964  920.334      13.0942  919.682      18.0886  921.053      18.9794  30.2851  0.298639  30.3035  0.313154  
1 1 1 37 13 3  o 15.6921  0.116377  246.346      3.65241  243.107      4.99798  250.058      5.35062  15.5857  0.160339  15.8062  0.169257  
1 1 1 37 13 4  o 7.79767  0.08011   60.8161      1.24934  60.7731      1.73872  60.862       1.79636  7.79416  0.11154   7.79976  0.115155  
1 1 1 37 13 5  o 14.5232  0.116481  211.019      3.38337  211.936      4.89006  210.177      4.68607  14.5512  0.16803   14.4912  0.161687  
1 1 1 37 13 6  o 4.2358   0.0822517 17.9463      0.696804 18.3099      1.06784  17.6768      0.91956  4.27781  0.124811  4.20347  0.109381  
1 1 1 37 13 7  o 14.8138  0.110973  219.553      3.28787  226.085      4.88758  214.153      4.44358  15.0284  0.162611  14.6274  0.151892  
1 1 1 37 13 8  o 12.3164  0.0938137 151.75       2.31089  149.281      3.23566  154.321      3.30153  12.2135  0.132463  12.4179  0.132935  
1 1 1 37 13 9  o 10.6295  0.0848364 113.025      1.80354  111.416      2.57636  114.571      2.52558  10.5517  0.122083  10.7003  0.118015  
1 1 1 37 13 10 o 13.7056  0.104382  187.947      2.86126  185.562      4.25472  189.917      3.86601  13.6138  0.156265  13.7742  0.140335  
1 1 1 37 13 11 o 12.0654  0.0955541 145.646      2.30579  144.253      3.39408  146.841      3.14224  12.004   0.141373  12.1122  0.129713  
1 1 1 37 13 12 o 4.7302   0.0797535 22.3833      0.7545   22.8372      1.08216  21.9539      1.05251  4.77699  0.113268  4.68373  0.112358  
1 1 1 37 13 13 o 1.85795  0.158936  3.45774      0.590588 3.58317      0.835059 3.33221      0.835377 1.88984  0.220934  1.82223  0.229219  
1 1 1 37 13 14 o 9.44357  0.0825331 89.2264      1.55881  89.3236      2.20211  89.1288      2.20689  9.44627  0.11656   9.43593  0.116941  
1 1 1 37 13 15 o 1.0899   0.274588  1.24255      0.59869  2.48685      0.860229 0.0736913    0.833742 1.5467   0.288814  0.764016 0.321232  
1 1 1 37 13 16 o 4.09627  0.084304  16.7918      0.690663 17.0676      0.964024 16.5009      0.989983 4.12839  0.116755  4.05903  0.121948  
1 1 1 37 13 17 o 4.44444  0.0881318 19.7704      0.783392 18.8432      1.04472  20.9614      1.1841   4.33731  0.120434  4.57402  0.129437  
1 1 1 37 13 18 o 4.06723  0.0913528 16.5603      0.743106 16.0864      1.00676  17.1274      1.10144  4.00669  0.125634  4.13377  0.133224  
1 1 1 37 13 19 o 5.77619  0.0798403 33.3953      0.922345 33.3791      1.24641  33.4148      1.37131  5.77254  0.10796   5.7746   0.118736  
1 1 1 37 13 20 o 5.45474  0.0812019 29.7865      0.88587  31.3036      1.2398   28.204       1.26624  5.58925  0.110909  5.30447  0.119356  
1 1 1 37 13 21 o 2.62483  0.126357  6.91047      0.663331 6.27704      0.911337 7.62415      0.967351 2.49757  0.182445  2.75318  0.175679  
1 1 1 37 13 22 o 2.06575  0.153684  4.28831      0.634946 5.68691      0.887707 2.82323      0.908554 2.37616  0.186794  1.66749  0.272432  
1 1 1 37 13 23 o 5.50247  0.0841189 30.328       0.925724 29.7151      1.25869  31.0502      1.36625  5.44253  0.115635  5.56233  0.122813  
1 1 1 37 13 24 o 1.04868  0.30642   1.15084      0.68269  1.22959      0.928374 1.05811      1.0074   1.10678  0.363248  1.06852  0.377195  
1 1 1 37 13 25 o 2.25823  0.159531  5.13995      0.720515 6.1586       1.01093  4.08826      1.02719  2.46551  0.205013  2.00146  0.256611  
1 1 1 37 13 26 o 2.67132  0.15784   7.20006      0.843282 6.99069      1.18794  7.41275      1.19728  2.6197   0.226732  2.69868  0.221827  
1 1 1 37 13 27 o 8.15495  0.0910024 66.7095      1.48424  67.2172      2.09617  66.1991      2.1019   8.17332  0.128232  8.11066  0.129577  
1 1 1 37 13 28 o 3.24077  0.139403  10.5865      0.903543 9.50152      1.21962  11.9064      1.3452   3.05728  0.199462  3.42321  0.196481  
1 1 1 37 13 29 o 1.8752   0.212299  3.5967       0.796207 3.58962      1.08291  3.60504      1.1747   1.85501  0.291886  1.82305  0.334682  
1 1 1 37 13 30 o 2.59418  0.166599  6.83826      0.864378 6.17554      1.1688   7.63824      1.28416  2.44474  0.239044  2.71998  0.23606   
1 1 1 37 13 31 o 2.88404  0.157772  8.45134      0.910041 7.90636      1.28816  8.99435      1.28583  2.76347  0.233069  2.95394  0.217647  
1 1 1 37 13 32 f 2.61195  0.17459   6.97821      0.91204  6.05298      1.26441  7.98173      1.31682  2.39872  0.26356   2.76719  0.237935  
1 1 1 37 13 33 o 3.03871  0.153864  9.4139       0.935097 10.1137      1.35947  8.78549      1.28825  3.11986  0.217874  2.90587  0.221664  
1 1 1 37 13 34 o 1.42772  0.330718  2.33048      0.926566 1.46508      1.29202  3.24684      1.32951  1.15872  0.425333  1.64545  0.405968  
1 1 1 37 13 35 o 1.42721  0.318431  2.35753      0.885595 2.8138       1.2369   1.87762      1.26854  1.50709  0.40259   1.23757  0.424567  
1 1 1 37 13 36 o 2.08531  0.219042  4.64334      0.913543 5.93614      1.29327  3.35582      1.29062  2.31198  0.279689  1.63091  0.398517  
1 1 1 37 13 37 o 1.44809  0.327009  2.56817      0.924749 3.37518      1.30526  1.75487      1.31034  1.58352  0.40928   1.14378  0.426863  
1 1 1 37 13 38 f 1.0743   0.363932  1.52878      0.931876 1.74522      1.29977  1.29985      1.33675  1.10919  0.422323  1.01478  0.414758  
1 1 1 37 13 39 o 1.09894  0.386332  1.81603      1.05581  1.78113      1.50122  1.85019      1.4852   1.05101  0.435807  1.0642   0.43644   
1 1 1 37 13 40 o 0.621747 0.298148  -0.507853    1.06242  0.447344     1.48366  -1.51311     1.52204  0.794279 0.37211   0.640523 0.317303  
1 1 1 37 13 41 o 0.56636  0.279722  -1.27993     1.16077  -1.83742     1.7169   -0.810555    1.57538  0.638778 0.319389  0.676839 0.333399  
1 1 1 37 14 0  o 6.67134  0.126995  44.5667      1.69307  44.5667      1.69307  44.5667      1.69307  6.67359  0.089732  ?        ?         
1 1 1 37 14 1  o 9.22225  0.0807219 85.0678      1.48887  86.6718      2.08556  83.4007      2.1262   9.30787  0.112032  9.13039  0.116435  
1 1 1 37 14 2  o 16.5555  0.125028  274.227      4.1398   275.537      5.60247  272.651      6.14404  16.5915  0.168836  16.5027  0.186153  
1 1 1 37 14 3  o 15.4621  0.119389  239.193      3.69201  235.578      4.84288  244.21       5.70497  15.342   0.15783   15.6183  0.182637  
1 1 1 37 14 4  o 4.20111  0.0760745 17.653       0.639195 18.6289      0.917794 16.7338      0.890731 4.31525  0.106343  4.08983  0.108896  
1 1 1 37 14 5  o 10.3854  0.0864489 107.887      1.79562  108.665      2.66419  107.24       2.43063  10.421   0.127828  10.353   0.117388  
1 1 1 37 14 6  o 17.3808  0.129509  302.296      4.50193  298.848      6.39746  305.678      6.33637  17.2752  0.185163  17.472   0.181329  
1 1 1 37 14 7  o 4.35221  0.0799424 18.9471      0.695853 19.1782      0.948526 18.6776      1.02397  4.37816  0.108325  4.32041  0.118503  
1 1 1 37 14 8  o 11.731   0.0938522 137.674      2.20197  138.958      3.14938  136.446      3.07989  11.7831  0.13364   11.6762  0.131887  
1 1 1 37 14 9  o 7.29121  0.0740632 53.1764      1.08002  56.4611      1.68514  50.8866      1.40698  7.51169  0.112168  7.13174  0.0986421 
1 1 1 37 14 10 o 7.44654  0.0743976 55.4678      1.10801  54.7319      1.57338  56.1917      1.56062  7.39583  0.106369  7.49391  0.104126  
1 1 1 37 14 11 o 4.91468  0.0792124 24.163       0.778607 24.2834      1.18645  24.0719      1.03189  4.92571  0.120435  4.90471  0.105194  
1 1 1 37 14 12 o 12.5274  0.102952  157.042      2.57943  155.691      3.6978   158.322      3.59991  12.4686  0.148284  12.5742  0.143147  
1 1 1 37 14 13 o 2.04099  0.143902  4.17185      0.587406 4.68935      0.845538 3.68911      0.81665  2.16247  0.195503  1.91753  0.212943  
1 1 1 37 14 14 o 5.59641  0.0750004 31.3344      0.839466 32.4926      1.19022  30.1879      1.18417  5.69765  0.104449  5.49169  0.107815  
1 1 1 37 14 15 o 5.94837  0.0757439 35.4031      0.901106 35.8288      1.30351  35.0135      1.24707  5.98225  0.108948  5.914    0.105434  
1 1 1 37 14 16 o 8.77437  0.0841784 77.0492      1.47723  76.6657      2.09269  77.4302      2.08555  8.74907  0.119595  8.7927   0.118596  
1 1 1 37 14 17 o 8.55382  0.0840784 73.2308      1.43838  72.7298      1.98818  73.7811      2.08354  8.5211   0.116662  8.58187  0.121392  
1 1 1 37 14 18 o 5.51027  0.0826541 30.3919      0.910892 30.4779      1.25732  30.2969      1.32147  5.51569  0.113976  5.49874  0.120161  
1 1 1 37 14 19 o 2.33534  0.136831  5.46952      0.639096 5.27131      0.88323  5.68735      0.925917 2.28932  0.192903  2.37782  0.194699  
1 1 1 37 14 20 o 3.76606  0.0953909 14.206       0.718495 14.0192      0.959697 14.4442      1.08379  3.73875  0.128345  3.79368  0.142842  
1 1 1 37 14 21 o 1.85616  0.168669  3.46485      0.62615  3.61441      0.866478 3.30139      0.905855 1.89133  0.229066  1.80572  0.250829  
1 1 1 37 14 22 o 3.19059  0.109127  10.2064      0.696362 9.79354      0.923859 10.7496      1.05966  3.12203  0.147958  3.26933  0.16206   
1 1 1 37 14 23 o 4.33796  0.0952106 18.8613      0.826039 19.6808      1.12447  17.9007      1.21746  4.42726  0.126994  4.2198   0.144255  
1 1 1 37 14 24 o 4.55052  0.090916  20.7571      0.827431 21.6184      1.15833  19.8596      1.18237  4.63912  0.124844  4.44506  0.132998  
1 1 1 37 14 25 o 3.44949  0.112667  11.9483      0.777291 12.23        1.08766  11.6542      1.11123  3.48313  0.156132  3.39883  0.163473  
1 1 1 37 14 26 f 2.2845   0.179175  5.27908      0.818649 4.59685      1.19762  5.87745      1.1216   2.11354  0.283321  2.40075  0.233594  
1 1 1 37 14 27 o 3.34773  0.124165  11.2756      0.831342 11.1526      1.13181  11.4197      1.22512  3.32054  0.170425  3.35729  0.182456  
1 1 1 37 14 28 o 0.799508 0.321884  0.349728     0.790455 -0.130027    1.07723  0.909383     1.16349  0.804247 0.352051  1.04926  0.39955   
1 1 1 37 14 29 o 1.14761  0.322593  1.43155      0.771078 1.0301       1.07326  1.85982      1.10853  1.05541  0.387634  1.29922  0.393136  
1 1 1 37 14 30 o 2.38673  0.178183  5.8044       0.850552 5.55168      1.14146  6.1199       1.27537  2.31448  0.246591  2.42418  0.263053  
1 1 1 37 14 31 o 1.65098  0.260202  2.85068      0.859178 3.05107      1.23912  2.66513      1.19235  1.63779  0.38446   1.5276   0.389104  
1 1 1 37 14 32 o 1.52374  0.288689  2.53521      0.847834 3.18327      1.18014  1.84395      1.21883  1.67565  0.362404  1.27542  0.416211  
1 1 1 37 14 33 o 1.07969  0.353019  1.28557      0.876824 1.2635       1.24233  1.30747      1.23772  1.11393  0.415654  1.12397  0.415779  
1 1 1 37 14 34 o 3.36644  0.144783  11.5839      0.974806 10.3439      1.38375  12.8057      1.37347  3.13677  0.22057   3.50836  0.195743  
1 1 1 37 14 35 o 1.52092  0.299763  2.63469      0.879358 1.65784      1.20556  3.74536      1.28549  1.17465  0.412834  1.76319  0.375688  
1 1 1 37 14 36 o 0.678321 0.306603  -0.200341    0.886873 -1.0943      1.22848  0.772703     1.28167  0.679622 0.32462   0.959519 0.400571  
1 1 1 37 14 37 o 0.931324 0.355291  0.982977     0.921386 -0.0563584   1.27169  2.13151      1.33682  0.799483 0.363476  1.22904  0.434446  
1 1 1 37 14 38 o 1.77838  0.283396  3.75303      1.00797  3.92593      1.43986  3.58687      1.41154  1.62231  0.434817  1.54     0.437624  
1 1 1 37 14 39 o 1.89367  0.284047  4.39592      1.07578  5.91455      1.55493  3.00159      1.48993  2.02253  0.398596  1.29872  0.458693  
1 1 1 37 14 40 o 1.04061  0.386798  1.9201       1.07376  2.61832      1.51626  1.2177       1.5208   1.08863  0.442802  0.872426 0.396865  
1 1 1 37 14 41 o 0.667253 0.318647  -0.0586931   1.18214  0.720289     1.75351  -0.707682    1.60053  0.787306 0.378867  0.672382 0.331213  
1 1 1 37 15 0  o 15.6197  0.160207  244.167      5.0036   244.167      5.0036   244.167      5.0036   15.6228  0.113248  ?        ?         
1 1 1 37 15 1  o 16.2244  0.121248  263.374      3.93437  263.879      5.50665  262.848      5.62326  16.2358  0.169584  16.2036  0.173519  
1 1 1 37 15 2  o 5.69143  0.0738492 32.399       0.840615 30.9298      1.11     34.3746      1.2872   5.56042  0.0998128 5.86166  0.109798  
1 1 1 37 15 3  o 18.7919  0.133997  353.379      5.03613  353.918      6.97596  352.792      7.27796  18.8001  0.185529  18.7691  0.193882  
1 1 1 37 15 4  o 16.1606  0.122619  261.323      3.9632   261.938      5.62018  260.715      5.58957  16.1746  0.173735  16.1368  0.173193  
1 1 1 37 15 5  o 5.19598  0.0730557 27.0044      0.759192 27.4159      1.14749  26.6841      1.01246  5.23465  0.109605  5.16459  0.0980198 
1 1 1 37 15 6  o 8.85188  0.0825297 78.3798      1.46109  76.8055      2.03275  80.0625      2.10154  8.76118  0.116009  8.94495  0.117471  
1 1 1 37 15 7  o 8.77752  0.0809709 77.069       1.42145  76.3475      1.98928  77.8217      2.03186  8.73499  0.113868  8.81885  0.1152    
1 1 1 37 15 8  o 10.3383  0.0876067 106.922      1.81141  108.795      2.62756  105.225      2.50058  10.4263  0.126007  10.2541  0.121931  
1 1 1 37 15 9  o 1.58873  0.197649  2.52949      0.628023 2.87681      0.902837 2.20387      0.874175 1.69283  0.266664  1.45288  0.309983  
1 1 1 37 15 10 o 11.1453  0.0902402 124.277      2.0115   123.772      2.97708  124.7        2.72853  11.1194  0.133869  11.162   0.122224  
1 1 1 37 15 11 o 10.3923  0.0944716 108.062      1.96356  107.495      2.94646  108.515      2.63359  10.3612  0.142187  10.4117  0.126473  
1 1 1 37 15 12 o 8.17927  0.0781876 66.9293      1.27903  67.3988      1.83339  66.4842      1.78523  8.20601  0.11171   8.15029  0.109519  
1 1 1 37 15 13 o 13.8422  0.104979  191.773      2.90628  191.206      4.20285  192.293      4.02324  13.8149  0.152113  13.8552  0.145188  
1 1 1 37 15 14 o 4.95923  0.0773251 24.6076      0.766945 25.7391      1.10907  23.5708      1.06173  5.07055  0.109364  4.85227  0.109405  
1 1 1 37 15 15 o 8.60189  0.0793705 74.0422      1.36547  73.1868      1.87512  75.0077      1.99234  8.54949  0.109663  8.65464  0.115103  
1 1 1 37 15 16 o 5.95126  0.0810227 35.4444      0.964375 35.662       1.36273  35.226       1.36493  5.96725  0.114184  5.93059  0.115076  
1 1 1 37 15 17 o 5.96398  0.0786258 35.5982      0.937845 35.5377      1.28489  35.6672      1.37202  5.95676  0.107852  5.96698  0.114968  
1 1 1 37 15 18 o 2.11305  0.145598  4.47887      0.615312 3.98227      0.861375 4.99631      0.879266 1.98868  0.216569  2.22885  0.197247  
1 1 1 37 15 19 o 0.917776 0.291457  0.840981     0.600111 0.972483     0.814858 0.685126     0.887108 1.00907  0.340316  0.938602 0.351039  
1 1 1 37 15 20 o 4.24324  0.0919079 18.0337      0.779973 16.5056      1.03654  20.0282      1.18426  4.05648  0.127763  4.46791  0.13253   
1 1 1 37 15 21 o 5.9869   0.0804307 35.891       0.96306  36.0497      1.30852  35.7033      1.42256  5.9968   0.109101  5.9665   0.119213  
1 1 1 37 15 22 o 2.39242  0.13977   5.74977      0.668778 6.80766      0.902786 4.46317      0.9956   2.60003  0.17361   2.09891  0.237171  
1 1 1 37 15 23 o 3.08415  0.11749   9.54804      0.724714 9.7526       0.988762 9.31058      1.06532  3.11224  0.15885   3.03864  0.175295  
1 1 1 37 15 24 o 1.9913   0.16933   3.99993      0.674377 3.57704      0.935552 4.45733      0.972975 1.8736   0.249667  2.09409  0.232314  
1 1 1 37 15 25 o 6.15688  0.0935043 38.0225      1.15139  37.9331      1.63128  38.1112      1.62536  6.14001  0.13284   6.15464  0.132044  
1 1 1 37 15 26 o 2.6061   0.153681  6.84971      0.801019 5.58202      1.12389  8.15846      1.14195  2.33813  0.24034   2.83541  0.201373  
1 1 1 37 15 27 o 1.69635  0.21505   2.9309       0.7296   2.63017      1.00697  3.26325      1.05858  1.5597   0.332638  1.74778  0.314274  
1 1 1 37 15 28 o 3.64073  0.12501   13.3584      0.910254 11.8795      1.2491   15.0331      1.32922  3.41843  0.182701  3.84885  0.172678  
1 1 1 37 15 29 o 2.31512  0.173902  5.4517       0.805206 4.20446      1.06608  7.1082       1.2286   2.0106   0.265115  2.62548  0.233977  
1 1 1 37 15 30 o 1.6921   0.248584  2.97245      0.841257 3.56451      1.16053  2.31684      1.22123  1.80247  0.334463  1.42694  0.407553  
1 1 1 37 15 31 o 0.652925 0.297752  -0.460268    0.867724 -0.705038    1.20985  -0.200981    1.24521  0.752251 0.346449  0.836443 0.371273  
1 1 1 37 15 32 o 1.9902   0.222923  4.11198      0.887323 3.50991      1.22307  4.78099      1.28927  1.76297  0.359334  2.11224  0.30519   
1 1 1 37 15 33 o 1.37888  0.32661   2.15262      0.887992 1.66808      1.22383  2.69132      1.29043  1.21427  0.416976  1.50173  0.415769  
1 1 1 37 15 34 o 1.36392  0.321987  2.14777      0.865294 2.76874      1.21289  1.50413      1.23483  1.50599  0.397013  1.14757  0.416342  
1 1 1 37 15 35 o 0.822197 0.33717   0.46491      0.886352 -0.170511    1.26413  1.07937      1.24311  0.812605 0.366742  1.03301  0.408003  
1 1 1 37 15 36 o 1.77214  0.27103   3.50951      0.960608 4.88187      1.34823  2.09451      1.36901  2.03708  0.330923  1.24491  0.439687  
1 1 1 37 15 37 o 0.940348 0.350966  1.03553      0.885832 1.45516      1.2328   0.587576     1.27371  1.06369  0.409529  0.895144 0.387261  
1 1 1 37 15 38 o 1.09321  0.375691  1.70003      0.993646 1.25548      1.42762  2.11775      1.38386  0.979564 0.416478  1.15072  0.43646   
1 1 1 37 15 39 o 1.47377  0.358823  3.06074      1.04922  2.54938      1.48319  3.57297      1.48446  1.1842   0.451063  1.42698  0.458929  
1 1 1 37 15 40 o 0.846956 0.356489  1.12937      1.02864  0.678246     1.51646  1.51384      1.39994  0.795711 0.373393  0.899907 0.397281  
1 1 1 37 15 41 o 0.718365 0.336218  0.645668     1.20044  2.14397      1.74628  -0.696711    1.65292  0.859149 0.402716  0.647854 0.322466  
1 1 1 37 16 0  o 9.50408  0.107222  90.3836      2.0375   90.3836      2.0375   90.3836      2.0375   9.50555  0.0757945 ?        ?         
1 1 1 37 16 1  o 5.28975  0.0717407 27.9875      0.758981 27.8562      1.0928   28.1098      1.05492  5.2767   0.103549  5.30075  0.0995071 
1 1 1 37 16 2  o 6.21674  0.0702592 38.656       0.873565 38.8335      1.251    38.487       1.22039  6.23029  0.100396  6.20249  0.0983788 
1 1 1 37 16 3  o 7.08635  0.0689665 50.2269      0.977442 50.184       1.38797  50.2692      1.37672  7.08255  0.0979855 7.08858  0.0971081 
1 1 1 37 16 4  o 6.56162  0.069735  43.0644      0.915149 43.2772      1.30586  42.8589      1.28288  6.57706  0.0992735 6.54523  0.0980013 
1 1 1 37 16 5  o 3.23927  0.103383  10.4982      0.66977  10.0768      0.946259 10.9212      0.948139 3.17273  0.149124  3.30311  0.143522  
1 1 1 37 16 6  o 4.42695  0.0842151 19.6047      0.745631 20.8155      1.06136  18.4249      1.04774  4.56087  0.116355  4.29084  0.12209   
1 1 1 37 16 7  o 3.69419  0.0929848 13.6532      0.687007 13.2824      0.975055 14.0187      0.96813  3.64281  0.133833  3.74253  0.129342  
1 1 1 37 16 8  o 9.90929  0.086328  98.2348      1.7109   99.1811      2.41546  97.2821      2.42371  9.95491  0.12132   9.85904  0.122918  
1 1 1 37 16 9  o 1.98933  0.161469  3.96356      0.642431 3.22976      0.936819 4.61497      0.882666 1.79351  0.261169  2.14555  0.205697  
1 1 1 37 16 10 o 4.18523  0.0919833 17.5256      0.769943 18.5992      1.13975  16.6245      1.04423  4.31024  0.132214  4.07515  0.128122  
1 1 1 37 16 11 o 10.3495  0.0894158 107.172      1.85082  104.66       2.6678   109.504      2.56986  10.2242  0.130466  10.4588  0.122856  
1 1 1 37 16 12 o 2.15083  0.123836  4.63161      0.532702 4.41102      0.757912 4.84697      0.748878 2.09755  0.180666  2.19907  0.170271  
1 1 1 37 16 13 o 6.9501   0.0749221 48.3282      1.04143  46.4954      1.45439  50.2568      1.49194  6.81527  0.106701  7.08568  0.105279  
1 1 1 37 16 14 o 5.55932  0.0751178 30.9242      0.835208 31.4328      1.19339  30.4359      1.16931  5.60322  0.106491  5.51367  0.106037  
1 1 1 37 16 15 o 1.6021   0.175283  2.57557      0.561643 2.90965      0.772107 2.20015      0.818487 1.70085  0.226977  1.45098  0.292307  
1 1 1 37 16 16 o 1.88796  0.169199  3.57725      0.638884 4.61896      0.859772 2.29279      0.954703 2.14375  0.20053   1.47528  0.33165   
1 1 1 37 16 17 o 4.70545  0.0794039 22.161       0.747262 23.2374      1.06441  21.1149      1.04932  4.81635  0.1105    4.59085  0.114284  
1 1 1 37 16 18 f 3.77218  0.0918235 14.248       0.692749 14.6062      0.983787 13.8958      0.975654 3.81681  0.128876  3.72266  0.131042  
1 1 1 37 16 19 o 4.18568  0.0897037 17.545       0.750943 17.4694      1.04426  17.6261      1.08066  4.1738   0.125097  4.19212  0.128892  
1 1 1 37 16 20 o 4.47019  0.0880278 20.0134      0.787001 20.5566      1.08658  19.4141      1.14142  4.52746  0.119999  4.39879  0.129742  
1 1 1 37 16 21 o 0.520214 0.243118  -0.592784    0.624417 -0.980387    0.828197 -0.0822523   0.9505   0.571124 0.270416  0.774866 0.334872  
1 1 1 37 16 22 o 1.29384  0.259402  1.76024      0.647583 1.62901      0.871717 1.92186      0.967377 1.23867  0.341189  1.3412   0.355018  
1 1 1 37 16 23 o 2.13381  0.156326  4.58512      0.667139 3.82723      0.894552 5.53489      1.00142  1.94168  0.230355  2.33738  0.214218  
1 1 1 37 16 24 o 1.51005  0.221801  2.3161       0.669863 2.60577      0.927609 2.00042      0.968362 1.56563  0.307192  1.3618   0.352785  
1 1 1 37 16 25 o 2.62805  0.149981  6.96266      0.788315 7.36531      1.09435  6.52835      1.13654  2.69383  0.203121  2.53204  0.224432  
1 1 1 37 16 26 o 2.27139  0.164087  5.21251      0.745414 5.09425      1.04665  5.33424      1.06186  2.23359  0.234298  2.286    0.232254  
1 1 1 37 16 27 o 0.885318 0.318283  0.706461     0.72022  0.0717666    0.993109 1.41061      1.04604  0.812349 0.346433  1.16726  0.385581  
1 1 1 37 16 28 o 1.61249  0.246377  2.68038      0.794559 3.45309      1.08953  1.8026       1.16124  1.81716  0.299791  1.28608  0.405083  
1 1 1 37 16 29 o 2.37536  0.166803  5.7337       0.792432 5.35308      1.08011  6.17739      1.16616  2.27661  0.23722   2.44521  0.238458  
1 1 1 37 16 30 o 1.32384  0.319382  1.93674      0.837117 2.08025      1.1353   1.76574      1.23925  1.35567  0.394836  1.26605  0.419682  
1 1 1 37 16 31 o 3.66653  0.135329  13.6278      0.992378 12.9642      1.39377  14.3101      1.4133   3.54983  0.196315  3.73323  0.189287  
1 1 1 37 16 32 o 1.97806  0.225441  4.07396      0.891874 4.60332      1.20942  3.44291      1.32049  2.07534  0.291378  1.72339  0.391862  
1 1 1 37 16 33 o 0.526498 0.256566  -1.4203      0.872909 -1.41276     1.17956  -1.42942     1.29786  0.651044 0.31267   0.691463 0.331084  
1 1 1 37 16 34 o 0.71124  0.313973  -0.0549169   0.874214 0.00611387   1.22063  -0.119191    1.25264  0.833555 0.369093  0.823079 0.368527  
1 1 1 37 16 35 o 0.606158 0.283916  -0.629032    0.86198  0.137595     1.22197  -1.3883      1.2161   0.844473 0.372202  0.651301 0.31393   
1 1 1 37 16 36 o 0.764564 0.325982  0.304676     0.878976 -0.293673    1.20507  0.984899     1.28488  0.756402 0.34727   0.982801 0.404982  
1 1 1 37 16 37 o 0.724844 0.317274  0.168258     0.874808 0.954324     1.25591  -0.572568    1.21924  0.95235  0.396984  0.712836 0.334558  
1 1 1 37 16 38 o 0.859934 0.35556   0.846138     0.994809 0.687941     1.35788  1.02942      1.46159  0.871963 0.387289  0.932719 0.409167  
1 1 1 37 16 39 o 0.800002 0.344577  0.719187     0.999973 -0.339561    1.44376  1.69538      1.38634  0.728083 0.348758  0.989235 0.414996  
1 1 1 37 16 40 o 0.68702  0.316554  0.203227     1.0116   1.93387      1.54376  -1.09913     1.33919  0.954752 0.419662  0.620167 0.305455  
1 1 1 37 17 0  o 13.9748  0.150173  195.466      4.1962   195.466      4.1962   195.466      4.1962   13.9779  0.106152  ?        ?         
1 1 1 37 17 1  o 7.18968  0.0832226 51.7081      1.19669  54.8506      1.81233  49.2789      1.59346  7.40351  0.122396  7.01777  0.113531  
1 1 1 37 17 2  o 15.4944  0.114064  240.223      3.53471  239.35       4.93495  241.142      5.06526  15.4616  0.159588  15.5189  0.163196  
1 1 1 37 17 3  o 12.9576  0.103608  167.987      2.68502  169.472      3.98153  166.749      3.63629  13.0107  0.153009  12.9069  0.140866  
1 1 1 37 17 4  o 7.7361   0.0747113 59.8639      1.15595  60.739       1.66267  59.0452      1.6082   7.79131  0.106701  7.68199  0.104674  
1 1 1 37 17 5  o 8.23918  0.0783924 67.9057      1.29178  69.5716      1.85517  66.3378      1.79979  8.33829  0.111244  8.14223  0.110522  
1 1 1 37 17 6  o 9.24004  0.0853978 85.4121      1.57816  86.4379      2.20358  84.332       2.26125  9.29367  0.118553  9.17949  0.123168  
1 1 1 37 17 7  o 1.29024  0.246058  1.72565      0.612159 1.96838      0.861598 1.47821      0.869909 1.37178  0.319667  1.19832  0.34453   
1 1 1 37 17 8  o 2.15737  0.14543   4.66019      0.627494 4.69612      0.901211 4.62639      0.874224 2.1642   0.208208  2.1482   0.203478  
1 1 1 37 17 9  o 2.80747  0.123589  7.88969      0.693943 6.85375      1.01896  8.78578      0.947684 2.61472  0.19485   2.9616   0.159995  
1 1 1 37 17 10 o 4.64629  0.0899874 21.6003      0.836215 22.8042      1.23683  20.5866      1.1349   4.77252  0.129579  4.53473  0.125135  
1 1 1 37 17 11 o 6.00881  0.0788923 36.1232      0.948098 33.8378      1.34738  38.3646      1.33434  5.81398  0.115874  6.1911   0.107763  
1 1 1 37 17 12 o 1.15839  0.228891  1.39452      0.511416 1.5702       0.791335 1.26852      0.670175 1.22498  0.319648  1.10333  0.297067  
1 1 1 37 17 13 o 2.85508  0.101713  8.16013      0.580795 8.0213       0.883853 8.26563      0.7705   2.82868  0.156231  2.87237  0.134123  
1 1 1 37 17 14 o 3.83271  0.0809778 14.7003      0.620729 14.4153      0.862852 15.0059      0.893643 3.79405  0.113711  3.87091  0.115431  
1 1 1 37 17 15 o 7.56462  0.0784459 57.2661      1.18683  59.3411      1.64707  55.0252      1.71165  7.69796  0.106981  7.4119   0.115466  
1 1 1 37 17 16 o 2.67015  0.117125  7.1431       0.625484 7.31778      0.823361 6.90471      0.96183  2.70084  0.152427  2.62163  0.183441  
1 1 1 37 17 17 o 6.64541  0.0806054 44.2043      1.07131  45.4772      1.51004  42.9143      1.52014  6.73729  0.112066  6.54424  0.116143  
1 1 1 37 17 18 o 4.67548  0.0842572 21.8863      0.787885 21.3799      1.11582  22.3899      1.11267  4.61811  0.120809  4.72623  0.117712  
1 1 1 37 17 19 o 3.99032  0.092125  15.9484      0.735217 14.7766      1.02299  17.2003      1.05737  3.83755  0.133286  4.14091  0.127674  
1 1 1 37 17 20 o 9.36972  0.0900947 87.9397      1.68832  88.0249      2.25227  87.8303      2.5508   9.3682   0.120208  9.35385  0.13635   
1 1 1 37 17 21 o 4.99735  0.0842679 25.0149      0.842233 24.489       1.15807  25.6054      1.22712  4.94074  0.117196  5.05151  0.12146   
1 1 1 37 17 22 o 3.54987  0.106027  12.6402      0.752767 12.0098      1.01805  13.4005      1.11812  3.45541  0.147313  3.64913  0.153203  
1 1 1 37 17 23 o 2.47431  0.138164  6.15747      0.683724 6.139        0.930848 6.17911      1.00757  2.46451  0.18885   2.47038  0.20393   
1 1 1 37 17 24 o 2.29764  0.152889  5.3212       0.70257  5.4552       0.956283 5.16405      1.03562  2.31873  0.206208  2.25206  0.229928  
1 1 1 37 17 25 o 1.13539  0.307768  1.37757      0.716327 1.06734      0.990374 1.71792      1.03734  1.06157  0.374069  1.26762  0.379647  
1 1 1 37 17 26 o 1.67671  0.211747  2.8615       0.710078 2.58747      0.989273 3.15272      1.01983  1.54799  0.329381  1.71968  0.307629  
1 1 1 37 17 27 o 1.21909  0.303067  1.61152      0.736689 1.86709      1.01846  1.33105      1.0669   1.30427  0.372078  1.14202  0.389407  
1 1 1 37 17 28 o 1.10872  0.325941  1.32778      0.77017  1.59943      1.03505  0.990786     1.15281  1.2143   0.382434  1.06063  0.399479  
1 1 1 37 17 29 o 4.09426  0.111987  16.8892      0.917009 16.306       1.26151  17.5427      1.33533  4.00827  0.157364  4.15619  0.160643  
1 1 1 37 17 30 o 2.37098  0.18545   5.75316      0.879397 6.7502       1.22014  4.67536      1.26859  2.54886  0.239349  2.09793  0.302343  
1 1 1 37 17 31 o 3.57065  0.132922  12.9204      0.949239 13.0468      1.32928  12.7889      1.35597  3.5653   0.186419  3.52702  0.192226  
1 1 1 37 17 32 o 0.944041 0.353881  0.832249     0.902547 0.921587     1.18383  0.708245     1.39473  1.0229   0.399758  1.02256  0.42175   
1 1 1 37 17 33 o 1.02543  0.353205  1.14983      0.878696 3.04408      1.2058   -0.995207    1.28313  1.60092  0.381482  0.72723  0.341715  
1 1 1 37 17 34 o 1.40609  0.332227  2.31937      0.920583 1.86271      1.30769  2.76804      1.29619  1.23063  0.430206  1.48074  0.418907  
1 1 1 37 17 35 o 1.02316  0.353988  1.22522      0.883429 0.588035     1.18847  2.01207      1.32068  0.909709 0.383057  1.24332  0.432558  
1 1 1 37 17 36 o 0.894351 0.347173  0.854686     0.88977  0.875911     1.23329  0.831645     1.28495  0.947213 0.394025  0.945703 0.398262  
1 1 1 37 17 37 o 0.792982 0.33324   0.511778     0.89647  1.34365      1.28912  -0.26724     1.2475   1.01458  0.40999   0.747401 0.347094  
1 1 1 37 17 38 o 0.875943 0.361009  0.929544     1.02117  1.38632      1.45042  0.480576     1.43797  0.981648 0.418649  0.847631 0.385671  
1 1 1 37 17 39 o 1.10065  0.377551  2.02216      1.00311  2.78557      1.44974  1.32097      1.38941  1.15824  0.444556  0.899869 0.396716  
1 1 1 37 17 40 o 0.507101 0.252833  -1.66198     1.03743  -1.75276     1.57923  -1.59306     1.37598  0.620503 0.309734  0.592257 0.294713  
1 1 1 37 18 0  o 5.30963  0.0994797 28.2289      1.05556  28.2289      1.05556  28.2289      1.05556  5.31136  0.0702918 ?        ?         
1 1 1 37 18 1  o 8.05012  0.0761465 64.8237      1.22598  64.9721      1.70322  64.6641      1.76607  8.05822  0.105682  8.03891  0.109845  
1 1 1 37 18 2  o 4.32777  0.0767241 18.7353      0.664088 19.3013      0.927848 18.1408      0.950901 4.39206  0.105628  4.25783  0.111665  
1 1 1 37 18 3  o 11.7887  0.096283  139.042      2.2701   137.675      3.15718  140.504      3.26641  11.7279  0.134602  11.8475  0.137852  
1 1 1 37 18 4  o 7.38699  0.0770694 54.5854      1.13862  53.3841      1.56896  55.922       1.65499  7.30415  0.107402  7.47561  0.110693  
1 1 1 37 18 5  o 9.924    0.0866895 98.5277      1.72061  97.5853      2.49905  99.377       2.37251  9.87406  0.126546  9.96481  0.119044  
1 1 1 37 18 6  o 5.63284  0.0765934 31.7399      0.862876 31.7008      1.20908  31.7805      1.23182  5.62842  0.107408  5.63542  0.109293  
1 1 1 37 18 7  o 10.2536  0.0871768 105.186      1.78775  105.834      2.56495  104.573      2.49311  10.2826  0.124723  10.2213  0.121956  
1 1 1 37 18 8  o 8.69524  0.0835723 75.6421      1.45336  75.1402      2.03884  76.1606      2.0723   8.66433  0.117657  8.72288  0.118785  
1 1 1 37 18 9  o 9.26532  0.0903253 85.8961      1.67379  85.9272      2.34112  85.8636      2.39394  9.26436  0.126351  9.26068  0.129253  
1 1 1 37 18 10 o 0.593201 0.261915  -0.191297    0.608734 -0.0243126   0.904319 -0.329651    0.823153 0.773192 0.330185  0.675168 0.300612  
1 1 1 37 18 11 f 7.12861  0.0771436 50.8436      1.09985  49.7169      1.56759  51.9359      1.54355  7.0472   0.111221  7.20303  0.107146  
1 1 1 37 18 12 o 11.0369  0.0959821 121.927      2.1187   120.551      2.89386  123.517      3.11043  10.97    0.131899  11.1029  0.140073  
1 1 1 37 18 13 o 2.70135  0.102876  7.30569      0.555806 7.97963      0.836765 6.77358      0.743527 2.82146  0.148286  2.59973  0.143001  
1 1 1 37 18 14 f 4.00639  0.0820614 16.0639      0.65754  16.7598      0.937007 15.3887      0.922956 4.0907   0.114529  3.91963  0.117735  
1 1 1 37 18 15 o 5.10785  0.0795637 26.1121      0.812799 27.0846      1.15547  25.1595      1.14356  5.20003  0.111103  5.01159  0.114092  
1 1 1 37 18 16 o 7.28749  0.079809  53.1566      1.16321  55.7397      1.63007  50.4765      1.66042  7.45939  0.109263  7.09758  0.116971  
1 1 1 37 18 17 o 3.86124  0.0909574 14.929       0.702416 15.1555      0.992743 14.702       0.99399  3.88786  0.127672  3.82907  0.129795  
1 1 1 37 18 18 o 11.2008  0.0991927 125.682      2.22207  123.358      3.09563  128.152      3.19154  11.087   0.139606  11.2999  0.14122   
1 1 1 37 18 19 o 6.26702  0.0784745 39.3242      0.983602 38.1461      1.38522  40.5223      1.39691  6.16846  0.112282  6.35803  0.109854  
1 1 1 37 18 20 o 2.57879  0.130884  6.67516      0.675042 6.91753      0.908027 6.37572      1.00929  2.62155  0.173185  2.51398  0.200736  
1 1 1 37 18 21 o 5.47481  0.0834479 30.0261      0.913723 29.9056      1.25187  30.1634      1.33669  5.45961  0.114649  5.48191  0.121918  
1 1 1 37 18 22 o 1.32575  0.253273  1.84644      0.64753  1.69922      0.875618 2.02412      0.961948 1.26123  0.339552  1.37291  0.34937   
1 1 1 37 18 23 o 0.827911 0.299663  0.592769     0.639365 0.141234     0.873969 1.11267      0.9378   0.786439 0.329692  1.06854  0.365087  
1 1 1 37 18 24 o 2.53776  0.144988  6.48909      0.73589  6.72934      1.02832  6.23692      1.05355  2.57553  0.199633  2.47713  0.212655  
1 1 1 37 18 25 o 1.86923  0.190207  3.5415       0.711084 3.43209      0.973545 3.66661      1.0411   1.82829  0.266245  1.88794  0.275724  
1 1 1 37 18 26 o 2.57927  0.143058  6.7076       0.737969 6.86007      1.01729  6.53824      1.07216  2.5989   0.195715  2.53392  0.211562  
1 1 1 37 18 27 o 2.35069  0.169423  5.60565      0.796522 4.89316      1.09794  6.39727      1.15731  2.17755  0.252105  2.4958   0.231851  
1 1 1 37 18 28 o 1.90378  0.203613  3.71041      0.775269 3.76739      1.06017  3.64492      1.13661  1.89891  0.279152  1.85991  0.305554  
1 1 1 37 18 29 o 3.63262  0.122402  13.3192      0.889277 14.5537      1.23698  11.9987      1.27934  3.78318  0.163485  3.42645  0.186686  
1 1 1 37 18 30 o 3.20234  0.141276  10.4046      0.904826 10.5895      1.22919  10.186       1.33681  3.21158  0.191368  3.14014  0.212859  
1 1 1 37 18 31 o 0.69981  0.30685   -0.0837952   0.821216 0.890476     1.13738  -1.14485     1.18696  1.01426  0.392767  0.688395 0.324976  
1 1 1 37 18 32 o 0.566067 0.271756  -1.1316      0.888948 -1.19473     1.22454  -1.06127     1.29254  0.692062 0.328215  0.730052 0.343019  
1 1 1 37 18 33 o 1.68499  0.261316  3.05746      0.880629 2.76517      1.17905  3.42624      1.32437  1.51129  0.388105  1.67793  0.399778  
1 1 1 37 18 34 o 0.82664  0.334816  0.508041     0.862516 0.390284     1.24782  0.615777     1.19355  0.898517 0.385912  0.928759 0.387067  
1 1 1 37 18 35 o 0.607575 0.285156  -0.648793    0.88577  -0.224833    1.22313  -1.11633     1.28445  0.778717 0.354684  0.692139 0.330918  
1 1 1 37 18 36 o 0.777178 0.326096  0.420124     0.856255 0.771516     1.19971  0.0552728    1.22247  0.918422 0.385707  0.80182  0.361327  
1 1 1 37 18 37 o 0.749601 0.329126  0.28402      0.947396 -0.988862    1.3365   1.56964      1.34317  0.684589 0.329761  1.04484  0.420031  
1 1 1 37 18 38 o 1.3964   0.364741  2.77563      1.02971  4.25764      1.50885  1.48375      1.40875  1.60613  0.451191  0.990189 0.417002  
1 1 1 37 18 39 o 0.953623 0.367641  1.54         0.9942   1.69449      1.42736  1.39443      1.38559  0.937604 0.40785   0.893914 0.39486   
1 1 1 37 18 40 o 1.27516  0.385701  2.92165      1.06714  2.19684      1.63927  3.45471      1.40582  0.929949 0.418777  1.22209  0.444149  
1 1 1 37 19 0  o 4.89567  0.104232  24.0075      1.01953  24.0075      1.01953  24.0075      1.01953  4.89771  0.0736348 ?        ?         
1 1 1 37 19 1  o 5.89907  0.0717329 34.8092      0.846316 35.2365      1.21596  34.4077      1.17866  5.93428  0.102452  5.86414  0.100497  
1 1 1 37 19 2  o 2.85314  0.0976053 8.14484      0.556963 7.55242      0.771193 8.79072      0.805241 2.74662  0.140389  2.96336  0.135866  
1 1 1 37 19 3  f 6.48028  0.0723769 42.0069      0.938046 40.1137      1.27554  44.2367      1.38432  6.33167  0.100727  6.64897  0.1041    
1 1 1 37 19 4  o 0.995078 0.288616  1.01477      0.607848 1.20227      0.885985 0.848041     0.835489 1.10556  0.354447  0.978719 0.343706  
1 1 1 37 19 5  o 6.86661  0.0746262 47.1665      1.02486  46.45        1.44623  47.8893      1.45252  6.81303  0.106137  6.91783  0.104984  
1 1 1 37 19 6  o 1.16262  0.267066  1.41203      0.608284 -0.259337    0.864138 3.0536       0.8564   0.708751 0.312609  1.74402  0.245525  
1 1 1 37 19 7  o 1.44471  0.216503  2.09386      0.625565 1.47131      0.925391 2.61776      0.848913 1.20092  0.358356  1.61409  0.26297   
1 1 1 37 19 8  o 9.75079  0.0904186 95.1347      1.7633   91.7508      2.47737  98.6092      2.51033  9.57273  0.129397  9.92435  0.126473  
1 1 1 37 19 9  o 4.88592  0.0822537 23.885       0.80377  23.0392      1.19271  24.5887      1.08791  4.79695  0.124319  4.95631  0.10975   
1 1 1 37 19 10 o 3.99228  0.090428  15.9498      0.722027 15.1191      1.05142  16.6911      0.99326  3.88518  0.135312  4.0828   0.12164   
1 1 1 37 19 11 o 7.36402  0.0825471 54.2661      1.21576  53.8908      1.69223  54.6664      1.74779  7.33615  0.115335  7.3885   0.118278  
1 1 1 37 19 12 o 9.0977   0.0859926 82.8343      1.56467  82.3609      2.20609  83.3136      2.21952  9.06806  0.121641  9.12035  0.12168   
1 1 1 37 19 13 f 6.3958   0.0754011 40.9332      0.9645   40.8014      1.34189  41.074       1.38726  6.38349  0.105106  6.40453  0.108303  
1 1 1 37 19 14 o 4.58713  0.0803494 21.0594      0.737147 21.0992      1.0132   21.0146      1.07446  4.58977  0.110376  4.58009  0.117297  
1 1 1 37 19 15 o 9.60432  0.0873585 92.343       1.67804  92.5978      2.33643  92.0716      2.41157  9.61264  0.121529  9.58457  0.125805  
1 1 1 37 19 16 o 3.49857  0.0960594 12.2575      0.67214  11.4717      0.911525 13.194       0.995059 3.38217  0.134755  3.627    0.137174  
1 1 1 37 19 17 o 11.9791  0.103299  143.768      2.47487  144.601      3.6115   143.031      3.39822  12.0011  0.150465  11.9383  0.142325  
1 1 1 37 19 18 o 6.62725  0.0801795 43.9756      1.06274  43.6613      1.54996  44.2544      1.45996  6.59882  0.117442  6.6446   0.10986   
1 1 1 37 19 19 o 2.23963  0.143209  5.03756      0.641469 4.78384      0.877999 5.32805      0.939465 2.17799  0.201562  2.29826  0.204386  
1 1 1 37 19 20 o 5.70472  0.0832949 32.5971      0.950348 31.3739      1.31764  33.9233      1.37199  5.59209  0.117813  5.81483  0.117974  
1 1 1 37 19 21 o 3.84444  0.097303  14.8181      0.748151 15.6551      1.03619  13.9066      1.08135  3.94742  0.131249  3.71848  0.145401  
1 1 1 37 19 22 o 1.52859  0.207139  2.36681      0.63326  2.30665      0.857879 2.43883      0.938698 1.4734   0.301524  1.51124  0.32033   
1 1 1 37 19 23 o 2.36023  0.146395  5.61109      0.691052 5.38057      0.954009 5.86557      1.00237  2.30276  0.207144  2.40409  0.208473  
1 1 1 37 19 24 o 6.01803  0.0912732 36.3247      1.09857  35.3387      1.52944  37.3756      1.57897  5.92683  0.129027  6.0951   0.129528  
1 1 1 37 19 25 o 3.174    0.119614  10.1314      0.759312 9.8306       1.04461  10.4684      1.10564  3.11807  0.16751   3.21669  0.17186   
1 1 1 37 19 26 f 3.54243  0.115625  12.6262      0.819184 12.7147      1.14388  12.5331      1.17369  3.54454  0.161358  3.5177   0.166827  
1 1 1 37 19 27 o 3.36585  0.124412  11.4208      0.837508 10.577       1.14024  12.4092      1.23415  3.2259   0.176733  3.49419  0.1766    
1 1 1 37 19 28 o 0.815921 0.316802  0.48945      0.740992 1.34735      1.01722  -0.480446    1.08158  1.13201  0.380232  0.741989 0.336769  
1 1 1 37 19 29 o 2.83255  0.149257  8.14068      0.845556 10.0054      1.17028  6.10398      1.22306  3.12724  0.187111  2.4202   0.252677  
1 1 1 37 19 30 o 1.55709  0.278323  2.63062      0.83548  2.15064      1.12817  3.21355      1.24329  1.36731  0.392105  1.67642  0.379584  
1 1 1 37 19 31 o 1.94684  0.226544  3.95013      0.882089 5.05065      1.22324  2.7579       1.27319  2.17795  0.280823  1.5307   0.408249  
1 1 1 37 19 32 o 1.96903  0.226753  4.06807      0.892966 4.06847      1.23237  4.06764      1.2957   1.925    0.320096  1.88379  0.356867  
1 1 1 37 19 33 o 0.716147 0.315582  -0.0367543   0.87791  0.742964     1.19599  -0.947744    1.29275  0.96172  0.392567  0.728674 0.342568  
1 1 1 37 19 34 o 0.697618 0.3082    -0.0396534   0.84458  0.791383     1.19036  -0.882122    1.19852  0.958199 0.39147   0.698235 0.32872   
1 1 1 37 19 35 o 0.506756 0.24819   -1.38107     0.848782 -0.4224      1.20843  -2.31454     1.19245  0.741873 0.343407  0.559656 0.277916  
1 1 1 37 19 36 o 0.659377 0.29814   -0.129644    0.839286 0.0884302    1.20046  -0.338153    1.17384  0.797444 0.358779  0.73162  0.338583  
1 1 1 37 19 37 o 0.933041 0.36153   1.14474      0.963964 2.30954      1.41319  0.131182     1.31826  1.18011  0.442728  0.793556 0.36386   
1 1 1 37 19 38 o 0.574731 0.278732  -0.956441    1.00356  -1.55474     1.47524  -0.441067    1.36919  0.648075 0.319179  0.715607 0.342023  
1 1 1 37 19 39 o 0.80422  0.346522  0.924415     1.01201  1.02727      1.4521   0.827273     1.41118  0.830934 0.38137   0.805435 0.372167  
1 1 1 37 19 40 o 0.73682  0.336044  0.853187     1.10585  2.44802      1.60708  -0.581102    1.52405  0.898731 0.4086    0.634695 0.315044  
1 1 1 37 20 0  o 1.01755  0.401732  1.43211      0.78279  1.43211      0.78279  1.43211      0.78279  1.09592  0.292906  ?        ?         
1 1 1 37 20 1  o 15.5644  0.123442  242.479      3.84262  242.673      5.50861  242.295      5.36288  15.5628  0.17698   15.5515  0.172424  
1 1 1 37 20 2  o 10.5651  0.0936155 111.682      1.97811  115.226      2.78437  108.071      2.81077  10.7286  0.129763  10.3897  0.135266  
1 1 1 37 20 3  o 5.98459  0.0697158 35.8264      0.834441 37.3122      1.2296   34.5579      1.1361   6.10638  0.100681  5.87683  0.096659  
1 1 1 37 20 4  o 8.45689  0.083679  71.5519      1.41533  69.355       1.97464  73.8728      2.02964  8.32408  0.11861   8.59095  0.118127  
1 1 1 37 20 5  o 7.97572  0.0810865 63.6406      1.29345  61.4893      1.85813  65.6631      1.8016   7.83771  0.118538  8.09982  0.111212  
1 1 1 37 20 6  o 5.50128  0.0859135 30.2801      0.945269 30.0071      1.36722  30.53        1.30835  5.47478  0.124865  5.52259  0.118454  
1 1 1 37 20 7  o 2.71911  0.121746  7.40188      0.662078 7.58323      0.953628 7.23311      0.919922 2.75059  0.17335   2.68642  0.171217  
1 1 1 37 20 8  o 2.88327  0.113997  8.32214      0.657367 8.17712      0.982867 8.43952      0.884248 2.85607  0.172067  2.9023   0.152336  
1 1 1 37 20 9  o 5.8135   0.0788391 33.8158      0.916662 34.0102      1.36238  33.6551      1.23909  5.82821  0.116878  5.79829  0.106849  
1 1 1 37 20 10 o 6.2961   0.0797736 39.6668      1.00453  39.8001      1.45442  39.5452      1.38906  6.30447  0.115349  6.2846   0.110513  
1 1 1 37 20 11 o 2.69488  0.11614   7.27299      0.625966 7.87267      0.910024 6.73444      0.862395 2.80184  0.162397  2.59121  0.166408  
1 1 1 37 20 12 o 1.13116  0.265043  1.34133      0.589751 1.12778      0.846313 1.54292      0.822275 1.07038  0.346748  1.21453  0.329978  
1 1 1 37 20 13 o 4.30451  0.0836851 18.5454      0.720447 19.9182      1.00085  17.069       1.03789  4.4594   0.112218  4.12731  0.125734  
1 1 1 37 20 14 o 2.60496  0.103817  6.79609      0.540878 5.98246      0.77884  7.55403      0.751715 2.44155  0.159497  2.74485  0.136932  
1 1 1 37 20 15 o 2.49259  0.1194    6.22638      0.595232 5.25062      0.80825  7.38275      0.879874 2.28596  0.176785  2.71167  0.162239  
1 1 1 37 20 16 o 7.46447  0.07989   55.7785      1.19267  55.4467      1.7012   56.0992      1.67256  7.43797  0.114359  7.48198  0.111773  
1 1 1 37 20 17 o 1.18877  0.247741  1.48219      0.569649 2.29682      0.811922 0.692429     0.799435 1.48055  0.284341  0.913772 0.334653  
1 1 1 37 20 18 o 1.89924  0.166112  3.62748      0.630971 2.79244      0.86728  4.56647      0.91968  1.65956  0.261298  2.12683  0.216209  
1 1 1 37 20 19 o 1.09705  0.275103  1.27165      0.603048 2.20265      0.851066 0.332865     0.854621 1.44281  0.304412  0.829247 0.334347  
1 1 1 37 20 20 o 6.1571   0.0853592 37.9808      1.05113  37.3903      1.4917   38.5632      1.48139  6.10313  0.122208  6.19863  0.119494  
1 1 1 37 20 21 o 3.71537  0.100826  13.8445      0.749207 13.3487      1.04317  14.3726      1.0767   3.64289  0.143179  3.78015  0.142415  
1 1 1 37 20 22 o 3.12888  0.113794  9.83019      0.712096 10.4566      0.98255  9.1372       1.03349  3.22164  0.152492  3.00855  0.171759  
1 1 1 37 20 23 o 2.43393  0.147557  5.97062      0.718286 5.66739      1.03454  6.25284      0.998059 2.36014  0.21917   2.48242  0.201025  
1 1 1 37 20 24 o 1.74712  0.205507  3.10044      0.71809  3.53565      1.00581  2.64798      1.02554  1.85495  0.271116  1.56612  0.337067  
1 1 1 37 20 25 o 2.98316  0.121957  8.95249      0.727631 9.37914      1.0038   8.48008      1.05625  3.04576  0.164787  2.89251  0.182584  
1 1 1 37 20 26 o 1.07996  0.313696  1.25274      0.717566 0.664515     1.00411  1.86668      1.02582  0.946097 0.368488  1.30288  0.373981  
1 1 1 37 20 27 o 1.40767  0.289516  2.143        0.787145 2.59458      1.06436  1.59786      1.16943  1.52955  0.354554  1.22212  0.407689  
1 1 1 37 20 28 o 2.02812  0.19142   4.20553      0.776445 3.07985      1.0523   5.55078      1.15036  1.67721  0.325317  2.31229  0.248749  
1 1 1 37 20 29 o 0.987378 0.338789  0.999184     0.807759 1.83446      1.09145  -0.0123497   1.2011   1.27527  0.390943  0.854056 0.372813  
1 1 1 37 20 30 o 1.28814  0.327645  1.86036      0.846331 3.47028      1.12741  -0.218186    1.28103  1.76783  0.331114  0.842674 0.375107  
1 1 1 37 20 31 o 1.47683  0.306637  2.43149      0.875461 2.12618      1.19822  2.78111      1.28222  1.3443   0.409122  1.53005  0.41043   
1 1 1 37 20 32 o 0.676514 0.304719  -0.257508    0.868426 -1.23505     1.17624  0.913874     1.28758  0.664301 0.317384  1.02599  0.411747  
1 1 1 37 20 33 o 1.36405  0.319503  2.16356      0.857243 1.35795      1.20712  2.9832       1.21759  1.09965  0.409842  1.55826  0.390992  
1 1 1 37 20 34 o 1.70751  0.263123  3.21193      0.898569 3.4009       1.23347  2.99825      1.31167  1.6537   0.380597  1.51643  0.418885  
1 1 1 37 20 35 o 1.32487  0.325787  2.16256      0.858374 2.88133      1.22713  1.47393      1.20113  1.45986  0.405858  1.07532  0.406988  
1 1 1 37 20 36 o 0.648335 0.298004  -0.264435    0.890288 -1.0282      1.29603  0.417988     1.22508  0.680168 0.326921  0.842179 0.371739  
1 1 1 37 20 37 o 1.10291  0.369011  1.76623      0.958065 2.00528      1.37545  1.54095      1.33526  1.10395  0.431007  1.01189  0.41421   
1 1 1 37 20 38 o 0.63565  0.298301  -0.201481    0.968373 -1.85975     1.40038  1.31813      1.34055  0.596804 0.297022  0.906037 0.394698  
1 1 1 37 20 39 o 0.620095 0.293376  -0.257633    0.973115 0.488783     1.42225  -0.914629    1.33434  0.774811 0.363229  0.634947 0.311023  
1 1 1 37 21 0  o 4.77112  0.103873  22.8042      0.990124 22.8042      0.990124 22.8042      0.990124 4.77325  0.0733774 ?        ?         
1 1 1 37 21 1  o 2.25231  0.119669  5.07783      0.53906  4.73017      0.756847 5.43579      0.767967 2.17262  0.174178  2.32929  0.16485   
1 1 1 37 21 2  o 2.09762  0.122513  4.40456      0.513972 4.53844      0.711753 4.25868      0.742984 2.12828  0.167213  2.06132  0.180221  
1 1 1 37 21 3  o 8.1179   0.0733614 65.9254      1.19108  66.6129      1.71952  65.2912      1.65143  8.15843  0.105383  8.07728  0.102227  
1 1 1 37 21 4  o 5.44254  0.0807768 29.6353      0.879262 28.226       1.23065  31.1048      1.25669  5.31019  0.115876  5.57456  0.112717  
1 1 1 37 21 5  o 8.76186  0.0845431 76.8119      1.48151  76.1042      2.1638   77.4364      2.03269  8.71861  0.124091  8.79528  0.115556  
1 1 1 37 21 6  o 15.2791  0.132434  233.78       4.04694  233.936      5.72159  233.624      5.72489  15.2733  0.187307  15.263   0.187541  
1 1 1 37 21 7  o 10.0143  0.088903  100.354      1.7806   99.838       2.483    100.901      2.55483  9.98519  0.124334  10.0379  0.127259  
1 1 1 37 21 8  o 7.5774   0.0816336 57.4533      1.23714  58.5603      1.83511  56.531       1.67499  7.64727  0.119985  7.5143   0.111454  
1 1 1 37 21 9  o 2.45802  0.126084  6.05182      0.619832 6.83609      0.901124 5.34754      0.853928 2.61059  0.17259   2.30841  0.18496   
1 1 1 37 21 10 f 2.81656  0.113099  7.94406      0.637099 7.94089      0.918893 7.94699      0.884101 2.81388  0.163279  2.81526  0.157019  
1 1 1 37 21 11 o 4.03286  0.085074  16.2775      0.686182 15.7332      0.987837 16.785       0.95387  3.96294  0.124634  4.09373  0.116504  
1 1 1 37 21 12 o 6.46902  0.075957  41.8789      0.982735 43.242       1.39353  40.5303      1.38609  6.57117  0.106034  6.36154  0.108943  
1 1 1 37 21 13 o 6.32123  0.0791285 39.9928      1.00038  39.6463      1.42011  40.334       1.40945  6.29095  0.112869  6.34546  0.11106   
1 1 1 37 21 14 o 2.32436  0.107329  5.41191      0.498942 4.18954      0.727149 6.49947      0.68588  2.04196  0.178051  2.54593  0.134702  
1 1 1 37 21 15 f 6.66797  0.0776798 44.506       1.03593  45.3978      1.40299  43.437       1.53611  6.73172  0.104207  6.58323  0.116668  
1 1 1 37 21 16 o 1.20332  0.236215  1.51194      0.548219 1.73455      0.766922 1.27933      0.783955 1.281    0.303596  1.11178  0.329445  
1 1 1 37 21 17 o 8.64627  0.0872836 74.8721      1.50935  75.24        2.14746  74.5129      2.12187  8.66081  0.123976  8.61905  0.123092  
1 1 1 37 21 18 o 2.92955  0.11224   8.60556      0.657623 8.51242      0.891593 8.71669      0.973883 2.9103   0.153179  2.94379  0.165413  
1 1 1 37 21 19 o 4.88656  0.0838918 23.9193      0.819885 23.9877      1.16105  23.8512      1.15794  4.88937  0.118732  4.87544  0.118753  
1 1 1 37 21 20 o 4.05397  0.0956124 16.4765      0.775219 16.0393      1.08014  16.9408      1.11326  3.99486  0.135192  4.10552  0.13558   
1 1 1 37 21 21 o 2.58771  0.136969  6.7345       0.708875 7.32539      0.971283 6.06104      1.03693  2.69324  0.180319  2.44524  0.212032  
1 1 1 37 21 22 o 3.67338  0.105678  13.5451      0.776391 13.4392      1.09884  13.6506      1.09713  3.65174  0.150454  3.68062  0.149041  
1 1 1 37 21 23 o 1.40383  0.263051  2.08083      0.711264 1.75819      1.01206  2.3957       0.999808 1.2793   0.372855  1.48872  0.342677  
1 1 1 37 21 24 f 5.18747  0.0950593 27.006       0.986234 26.2894      1.42297  27.6685      1.36814  5.10773  0.139296  5.24244  0.130487  
1 1 1 37 21 25 o 1.71766  0.206378  3.00708      0.708974 3.18245      0.994791 2.82607      1.01068  1.7523   0.283852  1.61779  0.323799  
1 1 1 37 21 26 o 0.701679 0.297099  0.0810345    0.721452 -0.422645    1.03726  0.553049     1.00412  0.736772 0.332379  0.918019 0.365392  
1 1 1 37 21 27 o 3.37079  0.129917  11.4741      0.875846 12.3674      1.21702  10.5144      1.26144  3.48582  0.174567  3.20654  0.196699  
1 1 1 37 21 28 o 4.41054  0.107179  19.5964      0.945432 19.1575      1.31587  20.0647      1.35927  4.34481  0.151431  4.44587  0.152869  
1 1 1 37 21 29 o 1.7735   0.233159  3.27289      0.827015 3.229        1.09732  3.33061      1.25829  1.7043   0.33383   1.70858  0.378273  
1 1 1 37 21 30 o 0.797849 0.325719  0.350062     0.82346  0.805284     1.10777  -0.212133    1.23106  0.986957 0.386499  0.826479 0.367814  
1 1 1 37 21 31 o 2.00743  0.212762  4.19292      0.854213 3.73024      1.17717  4.70753      1.24148  1.82001  0.336022  2.08854  0.297212  
1 1 1 37 21 32 o 1.46282  0.314384  2.45168      0.893344 3.43117      1.28153  1.52576      1.24598  1.68719  0.387691  1.15309  0.41823   
1 1 1 37 21 33 o 1.46178  0.310531  2.47011      0.880495 2.56675      1.20864  2.36082      1.28531  1.42882  0.404606  1.35885  0.425811  
1 1 1 37 21 34 o 0.685087 0.30746   -0.126312    0.876422 0.725471     1.16878  -1.22053     1.32471  0.925204 0.384144  0.69401  0.33283   
1 1 1 37 21 35 o 0.605509 0.283484  -0.51897     0.855802 -1.2789      1.228    0.198654     1.19332  0.647328 0.312787  0.817146 0.362988  
1 1 1 37 21 36 o 1.15187  0.359426  1.81675      0.917079 1.21856      1.27533  2.4573       1.3197   0.975866 0.402983  1.25544  0.432817  
1 1 1 37 21 37 o 0.563553 0.272765  -0.95551     0.948988 -0.0835775   1.36512  -1.77095     1.32015  0.763979 0.35774   0.605271 0.298788  
1 1 1 37 21 38 o 0.919273 0.364361  1.38414      0.994623 -0.682413    1.47388  3.11223      1.34778  0.68111  0.332175  1.25333  0.436885  
1 1 1 37 21 39 o 0.627824 0.296941  -0.150678    0.996222 1.42603      1.49676  -1.4047      1.33484  0.86418  0.393274  0.589489 0.292911  
1 1 1 37 22 0  o 3.74889  0.111852  14.0983      0.836955 14.0983      0.836955 14.0983      0.836955 3.75184  0.0789492 ?        ?         
1 1 1 37 22 1  o 4.93968  0.0716027 24.41        0.707388 23.3201      0.971638 25.6391      1.03187  4.82721  0.100642  5.06148  0.101934  
1 1 1 37 22 2  o 5.58995  0.0720619 31.26        0.805645 31.3526      1.12437  31.1624      1.15495  5.59714  0.100442  5.57999  0.103491  
1 1 1 37 22 3  o 1.11593  0.168354  1.24811      0.375743 1.12566      0.491805 1.41979      0.582362 1.03795  0.241279  1.16562  0.256731  
1 1 1 37 22 4  o 1.71866  0.175594  2.9613       0.603571 3.05826      0.897095 2.88112      0.815837 1.744    0.257195  1.69331  0.2409    
1 1 1 37 22 5  o 4.91086  0.0775978 24.1292      0.762145 23.6578      1.10424  24.5581      1.05323  4.86119  0.113578  4.95317  0.106319  
1 1 1 37 22 6  o 2.14304  0.138667  4.60084      0.594337 4.43016      0.846856 4.76652      0.834324 2.10084  0.201552  2.17953  0.1914    
1 1 1 37 22 7  o 9.0635   0.0821798 82.2031      1.48967  83.2402      2.14303  81.2335      2.07219  9.1173   0.117525  9.007    0.115032  
1 1 1 37 22 8  o 3.7107   0.0946582 13.7824      0.702497 15.0601      1.00607  12.5667      0.981358 3.8773   0.129738  3.54137  0.138556  
1 1 1 37 22 9  o 4.11189  0.0874958 16.922       0.719547 16.6204      1.03564  17.2034      1.00046  4.07317  0.127129  4.14436  0.120701  
1 1 1 37 22 10 o 6.02429  0.0782249 36.3182      0.9425   36.6389      1.39096  36.0459      1.28155  6.0483   0.114988  5.99979  0.106799  
1 1 1 37 22 11 o 2.64424  0.112401  7.00328      0.594429 6.08997      0.824501 7.99181      0.857784 2.46338  0.167352  2.82281  0.151938  
1 1 1 37 22 12 o 2.54536  0.118387  6.49149      0.602677 6.42633      0.840088 6.56058      0.865091 2.53017  0.166014  2.55627  0.169209  
1 1 1 37 22 13 o 4.66711  0.0808181 21.803       0.754373 20.3403      1.04206  23.4136      1.09349  4.50552  0.115642  4.83413  0.113101  
1 1 1 37 22 14 o 1.82302  0.159893  3.33716      0.582974 2.26605      0.788177 4.63095      0.86624  1.47271  0.277754  2.14482  0.201937  
1 1 1 37 22 15 o 1.08688  0.241792  1.24049      0.511848 0.784161     0.728894 1.68443      0.718935 0.924527 0.321378  1.2637   0.290382  
1 1 1 37 22 16 o 4.97766  0.0799797 24.8084      0.796224 24.0558      1.08149  25.6991      1.17657  4.8988   0.110383  5.06271  0.1162    
1 1 1 37 22 17 o 1.55979  0.189584  2.45132      0.591421 2.59469      0.81243  2.28969      0.862615 1.60008  0.253872  1.47303  0.303187  
1 1 1 37 22 18 o 7.16212  0.0773495 51.3675      1.10797  50.0922      1.50223  52.8887      1.64074  7.06831  0.106265  7.26169  0.112972  
1 1 1 37 22 19 o 3.82057  0.093333  14.6306      0.713171 15.0778      1.0353   14.2268      0.983823 3.87388  0.133625  3.76336  0.130711  
1 1 1 37 22 20 o 3.49098  0.0999508 12.2227      0.697853 12.7655      0.972919 11.6476      1.00153  3.5632   0.136523  3.40212  0.147192  
1 1 1 37 22 21 o 4.59957  0.0910627 21.2126      0.837699 20.0462      1.16291  22.4706      1.20773  4.46494  0.130227  4.72773  0.127729  
1 1 1 37 22 22 o 2.17443  0.156301  4.76982      0.679734 4.57969      0.937211 4.98082      0.987322 2.12133  0.220902  2.21188  0.223186  
1 1 1 37 22 23 o 3.84652  0.113364  14.8669      0.872113 12.8841      1.24545  16.7744      1.2216   3.56906  0.174479  4.07848  0.149762  
1 1 1 37 22 24 o 2.12641  0.170863  4.57474      0.72665  5.78824      1.03204  3.38173      1.02329  2.38327  0.216518  1.80977  0.282713  
1 1 1 37 22 25 o 4.38225  0.0998752 19.2999      0.875357 20.0585      1.23483  18.5336      1.24108  4.45746  0.138513  4.28277  0.144892  
1 1 1 37 22 26 o 3.23049  0.131944  10.5373      0.852487 11.6152      1.22062  9.51076      1.19112  3.37741  0.180703  3.05162  0.195162  
1 1 1 37 22 27 o 1.31215  0.297062  1.87888      0.761552 0.277557     1.05228  3.64001      1.10354  0.865564 0.362257  1.85866  0.296864  
1 1 1 37 22 28 o 1.99413  0.200869  4.08613      0.801118 4.32291      1.13766  3.85323      1.1283   2.02531  0.280861  1.90678  0.295866  
1 1 1 37 22 29 o 1.61572  0.260482  2.74464      0.841733 3.75898      1.14284  1.54198      1.24441  1.87391  0.304936  1.19474  0.419477  
1 1 1 37 22 30 o 3.43887  0.133926  12.0083      0.921109 12.058       1.30082  11.9582      1.30448  3.41985  0.190187  3.40493  0.191557  
1 1 1 37 22 31 o 1.75275  0.246836  3.25917      0.865284 4.41202      1.18607  1.94745      1.26515  2.01563  0.294218  1.27979  0.424046  
1 1 1 37 22 32 o 1.18618  0.351357  1.66606      0.891824 1.05014      1.32195  2.18052      1.20817  1.04603  0.41828   1.32419  0.412414  
1 1 1 37 22 33 o 1.11181  0.356404  1.48037      0.895819 2.62798      1.25055  0.270789     1.28387  1.43066  0.413658  0.880626 0.384919  
1 1 1 37 22 34 o 0.884536 0.345315  0.798277     0.882857 -0.456096    1.22578  2.15038      1.27263  0.741644 0.344282  1.25467  0.425298  
1 1 1 37 22 35 o 0.750162 0.319163  0.330848     0.839422 -0.170495    1.21018  0.79572      1.16533  0.763352 0.349431  0.912806 0.381571  
1 1 1 37 22 36 o 0.95783  0.357509  1.23175      0.919194 0.0139329    1.29456  2.47002      1.30538  0.77452  0.357338  1.24001  0.430176  
1 1 1 37 22 37 o 0.78779  0.336695  0.620855     0.941685 1.39565      1.34529  -0.123505    1.3186   0.960663 0.406175  0.741146 0.34786   
1 1 1 37 22 38 o 0.838042 0.347017  1.08481      0.949764 1.7325       1.40125  0.534385     1.29176  0.930316 0.404382  0.762072 0.353634  
1 1 1 37 22 39 o 0.56469  0.27325   -0.430275    0.950169 0.254088     1.40015  -1.01448     1.29364  0.689574 0.333337  0.58211  0.289121  
1 1 1 37 23 0  o 2.4068   0.16181   5.87732      0.770806 5.87732      0.770806 5.87732      0.770806 2.4157   0.113382  ?        ?         
1 1 1 37 23 1  o 8.21456  0.0750019 67.5123      1.23222  66.0264      1.69853  69.1631      1.79032  8.12176  0.104567  8.3122   0.107692  
1 1 1 37 23 2  o 11.5938  0.0910392 134.516      2.11098  134.089      2.94108  134.969      3.03175  11.5714  0.127084  11.6088  0.13058   
1 1 1 37 23 3  o 7.83852  0.0734037 61.4729      1.15075  60.9595      1.65211  61.9567      1.60379  7.80364  0.105855  7.8675   0.101925  
1 1 1 37 23 4  o 4.25251  0.084864  18.0964      0.721771 17.7867      1.05188  18.3719      0.992209 4.21429  0.124799  4.2835   0.115817  
1 1 1 37 23 5  o 3.47636  0.0910617 12.0953      0.633127 11.3687      0.913698 12.7664      0.878116 3.36863  0.135619  3.57029  0.122976  
1 1 1 37 23 6  o 5.10997  0.0759739 26.1277      0.776449 25.281       1.06852  27.0749      1.1302   5.02505  0.10632   5.20015  0.10867   
1 1 1 37 23 7  o 0.989277 0.278934  1.01358      0.575633 1.34498      0.834834 0.713213     0.794779 1.14502  0.340105  0.922909 0.334098  
1 1 1 37 23 8  f 8.79431  0.0918917 77.4137      1.61625  79.2115      2.2036   75.3206      2.37777  8.89234  0.123904  8.6695   0.137134  
1 1 1 37 23 9  o 7.45998  0.0797098 55.6937      1.18927  56.7779      1.77667  54.8136      1.6008   7.52879  0.117992  7.3984   0.108185  
1 1 1 37 23 10 o 4.86367  0.0785676 23.6743      0.764254 24.2221      1.11828  23.1942      1.04689  4.91746  0.113705  4.81233  0.108772  
1 1 1 37 23 11 o 2.33912  0.124456  5.48332      0.582237 6.16803      0.822716 4.79631      0.824099 2.47877  0.165952  2.18461  0.188615  
1 1 1 37 23 12 o 4.55241  0.0791259 20.7437      0.720427 20.982       1.01546  20.5022      1.02225  4.57639  0.110945  4.52361  0.112991  
1 1 1 37 23 13 o 2.05882  0.137805  4.2517       0.567429 5.0055       0.787624 3.43827      0.818181 2.23165  0.176466  1.8469   0.221501  
1 1 1 37 23 14 o 2.69076  0.113684  7.25678      0.611794 7.05068      0.796347 7.55362      0.955706 2.64998  0.150255  2.74097  0.174337  
1 1 1 37 23 15 o 2.1639   0.120687  4.69568      0.522308 5.0482       0.760587 4.38108      0.718517 2.24058  0.16973   2.08712  0.172131  
1 1 1 37 23 16 o 1.88165  0.144008  3.55582      0.541947 4.46141      0.804836 2.80458      0.733043 2.1043   0.191236  1.66641  0.219947  
1 1 1 37 23 17 o 5.1945   0.0776007 27.0195      0.806194 27.239       1.12091  26.7843      1.16037  5.21232  0.107525  5.16803  0.112264  
1 1 1 37 23 18 o 3.13944  0.102629  9.88254      0.644397 8.69746      0.884291 11.2244      0.940978 2.94073  0.150352  3.3419   0.140785  
1 1 1 37 23 19 o 4.10992  0.0912742 16.9315      0.750259 18.1066      1.03271  15.6181      1.09181  4.24632  0.121601  3.9413   0.138508  
1 1 1 37 23 20 o 1.27666  0.257921  1.72035      0.635506 1.94375      0.870153 1.46497      0.930346 1.34581  0.326213  1.18125  0.360701  
1 1 1 37 23 21 o 5.68143  0.0859077 32.3617      0.976156 31.2184      1.40121  33.4398      1.36067  5.57188  0.12574   5.76863  0.117937  
1 1 1 37 23 22 o 0.988324 0.314254  1.00059      0.697501 -0.538258    0.96175  2.70809      1.01308  0.693371 0.315463  1.58741  0.330055  
1 1 1 37 23 23 o 2.88824  0.133397  8.40079      0.770563 8.46506      1.07839  8.33375      1.10146  2.88956  0.186601  2.86587  0.192168  
1 1 1 37 23 24 o 4.32112  0.098376  18.7541      0.850189 19.3601      1.19321  18.1292      1.2117   4.38159  0.136162  4.23821  0.142949  
1 1 1 37 23 25 o 0.762249 0.304437  0.343975     0.69924  -0.708649    0.98509  1.41293      0.992703 0.67251  0.310822  1.15548  0.375622  
1 1 1 37 23 26 o 1.75852  0.223877  3.18248      0.787384 2.90732      1.09276  3.47961      1.13553  1.6218   0.346985  1.78562  0.330397  
1 1 1 37 23 27 o 1.56474  0.251781  2.54696      0.787945 4.45426      1.13635  0.780711     1.09353  2.06093  0.275689  0.987884 0.384589  
1 1 1 37 23 28 o 1.28945  0.306077  1.84253      0.778561 2.576        1.09645  1.09661      1.10571  1.50422  0.367166  1.06277  0.393014  
1 1 1 37 23 29 o 0.596321 0.2783    -0.6599      0.81465  -1.4745      1.11001  0.291092     1.19935  0.624128 0.30061   0.902971 0.382732  
1 1 1 37 23 30 o 2.07802  0.200176  4.47071      0.831941 3.10814      1.15932  5.91737      1.19456  1.64419  0.362305  2.36694  0.252342  
1 1 1 37 23 31 o 2.40135  0.183281  5.97849      0.880243 6.09493      1.23477  5.85817      1.25519  2.38265  0.259116  2.32945  0.269418  
1 1 1 37 23 32 o 2.17457  0.208699  4.98659      0.907663 2.82972      1.30424  7.01234      1.26397  1.49495  0.41933   2.55174  0.247668  
1 1 1 37 23 33 o 1.55587  0.307776  2.8258       0.923646 2.82204      1.29291  2.82972      1.31997  1.46545  0.419598  1.46267  0.425656  
1 1 1 37 23 34 o 2.20283  0.211635  5.25245      0.932392 5.42196      1.28129  5.06165      1.35937  2.16053  0.296523  2.05253  0.331145  
1 1 1 37 23 35 o 1.11915  0.352201  1.65931      0.87809  1.47361      1.32063  1.80646      1.1756   1.04412  0.417839  1.12687  0.40649   
1 1 1 37 23 36 o 0.625658 0.292483  -0.333481    0.90458  -0.426281    1.26853  -0.237468    1.29029  0.71109  0.335768  0.736326 0.345328  
1 1 1 37 23 37 o 0.632734 0.296595  -0.187188    0.947444 -0.72631     1.36209  0.318161     1.31874  0.668629 0.324413  0.76592  0.356146  
1 1 1 37 23 38 o 0.567481 0.273992  -0.630122    0.936003 -0.785459    1.43829  -0.516008    1.23276  0.662391 0.324102  0.647399 0.31292   
1 1 1 37 24 0  f 3.35851  0.121586  11.3323      0.814268 11.3323      0.814268 11.3323      0.814268 3.36245  0.0857442 ?        ?         
1 1 1 37 24 1  o 9.62496  0.0799815 92.7007      1.53964  91.967       2.21416  93.3875      2.14236  9.58344  0.11552   9.65768  0.110915  
1 1 1 37 24 2  o 6.68198  0.0706924 44.672       0.944731 45.5124      1.36935  43.9086      1.30507  6.74272  0.101543  6.62306  0.0985247 
1 1 1 37 24 3  o 8.58897  0.079449  73.8193      1.36477  72.0028      1.90018  75.7549      1.96143  8.4799   0.11204   8.69797  0.112752  
1 1 1 37 24 4  f 9.89491  0.0913592 97.9964      1.80798  98.0799      2.50863  97.9061      2.60801  9.89509  0.126761  9.88562  0.131909  
1 1 1 37 24 5  o 18.3002  0.137436  335.59       5.03024  334.627      7.22169  336.498      7.01067  18.2539  0.197812  18.3073  0.191472  
1 1 1 37 24 6  o 3.24082  0.0990735 10.5145      0.642158 10.8739      0.894713 10.1327      0.922208 3.29413  0.135804  3.17942  0.145028  
1 1 1 37 24 7  o 2.08985  0.142197  4.37784      0.594342 4.35357      0.885537 4.39774      0.801748 2.08098  0.212769  2.09256  0.191571  
1 1 1 37 24 8  o 3.77375  0.0893359 14.2553      0.674262 13.5035      0.99019  14.9054      0.920698 3.67054  0.134884  3.85732  0.119344  
1 1 1 37 24 9  o 2.24013  0.130565  5.02963      0.584963 4.49546      0.860879 5.48781      0.797301 2.11439  0.203576  2.33806  0.170505  
1 1 1 37 24 10 o 6.13763  0.0743634 37.7         0.91283  37.9056      1.26951  37.4799      1.31349  6.1521   0.103177  6.11707  0.107362  
1 1 1 37 24 11 o 1.84902  0.145326  3.42968      0.537422 3.78116      0.73867  3.03439      0.783357 1.93921  0.190456  1.73529  0.225714  
1 1 1 37 24 12 o 4.35495  0.0839153 18.9871      0.730893 19.1021      1.01738  18.8645      1.0507   4.36577  0.116518  4.33815  0.1211    
1 1 1 37 24 13 o 7.27275  0.0810299 52.9543      1.17862  52.1413      1.64787  53.8058      1.68645  7.21254  0.114236  7.32663  0.11509   
1 1 1 37 24 14 o 2.95361  0.110651  8.74432      0.653641 8.82034      0.872835 8.64724      0.986308 2.96374  0.147252  2.93267  0.168159  
1 1 1 37 24 15 o 1.76344  0.140376  3.1223       0.495091 2.57737      0.744606 3.55412      0.662836 1.59659  0.233186  1.87929  0.176353  
1 1 1 37 24 16 o 1.27656  0.198913  1.64386      0.507849 2.34205      0.743218 1.03234      0.695562 1.52043  0.244411  1.0064   0.312819  
1 1 1 37 24 17 o 3.3678   0.0949908 11.3673      0.639821 11.5669      0.920893 11.181       0.889604 3.39335  0.135691  3.33653  0.133313  
1 1 1 37 24 18 o 3.63479  0.0920976 13.2429      0.669511 13.4962      0.940234 12.9823      0.953569 3.66541  0.128258  3.59439  0.132647  
1 1 1 37 24 19 o 5.42208  0.0817786 29.4582      0.88682  29.8375      1.23363  29.0526      1.27573  5.45188  0.113138  5.37868  0.118591  
1 1 1 37 24 20 o 1.2468   0.257656  1.64493      0.620632 1.00252      0.883394 2.27105      0.872126 1.02276  0.353968  1.45762  0.308614  
1 1 1 37 24 21 o 4.38157  0.0918381 19.2564      0.80479  18.6424      1.1433   19.8595      1.13306  4.30395  0.13282   4.44333  0.127501  
1 1 1 37 24 22 o 5.1329   0.0993174 26.4456      1.01957  25.9229      1.36723  27.1005      1.5303   5.07387  0.134732  5.18427  0.147591  
1 1 1 37 24 23 f 1.64068  0.207666  2.73867      0.681427 3.05203      0.934133 2.38226      0.996229 1.72132  0.271342  1.48075  0.342874  
1 1 1 37 24 24 o 6.98692  0.0927287 49.0273      1.29578  48.5468      1.79506  49.5502      1.8724   6.93868  0.129352  7.00809  0.133588  
1 1 1 37 24 25 o 1.34266  0.269981  1.93572      0.699494 1.8072       0.99226  2.06268      0.986237 1.27843  0.368092  1.36318  0.357374  
1 1 1 37 24 26 o 1.44063  0.291726  2.2503       0.811193 3.7501       1.1694   0.859234     1.12622  1.88221  0.310646  1.0167   0.391429  
1 1 1 37 24 27 o 2.57851  0.155143  6.7567       0.800079 6.44046      1.13658  7.06734      1.12646  2.49447  0.227819  2.61785  0.21515   
1 1 1 37 24 28 o 1.45444  0.280643  2.30398      0.787223 2.66046      1.08157  1.90238      1.148    1.53129  0.359013  1.29109  0.401994  
1 1 1 37 24 29 o 0.713062 0.3091    0.00566063   0.814494 0.657555     1.13178  -0.694654    1.17306  0.955336 0.384937  0.73538  0.339614  
1 1 1 37 24 30 o 0.717633 0.308983  0.0677815    0.803473 1.64541      1.12895  -1.5515      1.14376  1.19705  0.400571  0.623628 0.301427  
1 1 1 37 24 31 o 1.68924  0.253775  3.07009      0.857374 2.0056       1.23984  4.04565      1.18691  1.27644  0.419782  1.90553  0.311439  
1 1 1 37 24 32 o 1.80709  0.236937  3.50826      0.856335 2.82188      1.19915  4.22257      1.2233   1.50357  0.394014  1.93008  0.316903  
1 1 1 37 24 33 o 1.495    0.31585   2.65996      0.915169 2.72069      1.30233  2.60071      1.2863   1.41866  0.425485  1.38721  0.424235  
1 1 1 37 24 34 o 1.02922  0.359193  1.3324       0.911282 1.02383      1.23576  1.70023      1.3492   0.971643 0.398231  1.12103  0.429272  
1 1 1 37 24 35 o 0.895355 0.352525  0.966482     0.925332 2.43764      1.33248  -0.403807    1.28599  1.2428   0.434284  0.730187 0.342863  
1 1 1 37 24 36 o 0.671792 0.305785  -0.0122074   0.90592  0.207458     1.30945  -0.213866    1.25463  0.789131 0.362171  0.727082 0.340908  
1 1 1 37 24 37 o 0.607297 0.287342  -0.308418    0.933654 0.123851     1.37746  -0.67579     1.26986  0.738043 0.349116  0.64524  0.313119  
1 1 1 37 24 38 o 0.792271 0.338097  0.917315     0.947015 0.652694     1.32881  1.19045      1.35001  0.768218 0.357326  0.837497 0.37843   
1 1 1 37 25 0  o 4.62633  0.104842  21.4487      0.968941 21.4487      0.968941 21.4487      0.968941 4.62881  0.0740515 ?        ?         
1 1 1 37 25 1  o 1.89964  0.133996  3.61576      0.509088 3.16154      0.696246 4.1376       0.746273 1.77432  0.1962    2.03034  0.18378   
1 1 1 37 25 2  o 4.00268  0.0752384 16.0315      0.60231  14.4084      0.796587 18.1981      0.920343 3.79352  0.104993  4.26317  0.107941  
1 1 1 37 25 3  o 4.74336  0.0717447 22.5124      0.680622 22.5086      1.00332  22.5157      0.92637  4.74134  0.105805  4.74253  0.0976662 
1 1 1 37 25 4  o 0.982665 0.265398  1.00615      0.533876 0.693093     0.760456 1.3104       0.749688 0.90612  0.326924  1.12362  0.318811  
1 1 1 37 25 5  o 4.57362  0.0789192 20.9335      0.721893 20.958       1.0407   20.9107      1.00221  4.57448  0.113751  4.56955  0.109662  
1 1 1 37 25 6  o 9.03402  0.0834674 81.6839      1.50809  81.0311      2.10422  82.3734      2.1625   8.99409  0.116978  9.06798  0.119238  
1 1 1 37 25 7  o 2.82062  0.104154  7.9672       0.587556 7.01311      0.857071 8.81316      0.807044 2.64368  0.162098  2.9651   0.13609   
1 1 1 37 25 8  o 5.70866  0.0743491 32.6137      0.848867 32.5185      1.21625  32.704       1.1853   5.69802  0.106726  5.71449  0.10371   
1 1 1 37 25 9  o 4.44566  0.0765169 19.7806      0.680335 20.3983      0.960768 19.1593      0.963517 4.51274  0.106451  4.37328  0.11016   
1 1 1 37 25 10 o 7.26118  0.0767108 52.7719      1.11402  55.456       1.59327  50.2045      1.55825  7.44033  0.10707   7.07893  0.110063  
1 1 1 37 25 11 o 5.1583   0.0787239 26.635       0.812162 28.1077      1.16849  25.2586      1.12964  5.29635  0.110311  5.02055  0.112502  
1 1 1 37 25 12 o 1.96991  0.145215  3.89505      0.572121 3.8874       0.775938 3.90417      0.846915 1.96483  0.197457  1.96778  0.215195  
1 1 1 37 25 13 o 8.57851  0.0861805 73.6956      1.4786   75.8848      2.10986  71.5827      2.07274  8.69894  0.121271  8.44848  0.122669  
1 1 1 37 25 14 o 2.13737  0.140387  4.58672      0.600118 4.97406      0.802324 4.0948       0.904162 2.22292  0.180466  2.01328  0.224549  
1 1 1 37 25 15 o 6.93396  0.0856756 48.1567      1.18814  47.7704      1.65017  48.5724      1.71211  6.90094  0.119561  6.958    0.123032  
1 1 1 37 25 16 o 1.81249  0.140122  3.30064      0.507939 4.4489       0.776617 2.44226      0.671469 2.10063  0.184853  1.55408  0.216034  
1 1 1 37 25 17 o 4.35655  0.0843845 19.0163      0.735251 18.5219      1.0356   19.5189      1.04405  4.2953   0.120551  4.40969  0.118382  
1 1 1 37 25 18 o 2.56247  0.114973  6.59181      0.589231 6.02681      0.827489 7.17296      0.83923  2.44473  0.16924   2.6686   0.157242  
1 1 1 37 25 19 o 3.02667  0.105922  9.19367      0.641185 9.70254      0.89534  8.65796      0.918653 3.10443  0.144204  2.93078  0.156725  
1 1 1 37 25 20 o 2.55464  0.131398  6.56692      0.671347 7.52349      0.963196 5.66316      0.936233 2.7275   0.176571  2.36296  0.198106  
1 1 1 37 25 21 o 2.76675  0.124399  7.69793      0.688361 7.9458       1.00325  7.47744      0.946226 2.80242  0.178998  2.71944  0.173974  
1 1 1 37 25 22 o 3.11367  0.129267  9.75947      0.804991 8.91478      1.10612  10.7106      1.17375  2.96518  0.186518  3.25157  0.18049   
1 1 1 37 25 23 o 0.87653  0.309296  0.719183     0.6773   0.57396      0.94096  0.87532      0.975677 0.906942 0.355997  0.997045 0.369087  
1 1 1 37 25 24 o 1.95951  0.177106  3.90207      0.694082 4.56113      0.984103 3.24972      0.979077 2.10605  0.233637  1.76785  0.276911  
1 1 1 37 25 25 o 3.36238  0.121605  11.4029      0.817765 11.745       1.12399  11.0181      1.19199  3.40011  0.165288  3.28799  0.181263  
1 1 1 37 25 26 o 1.64073  0.244275  2.79381      0.801577 0.545542     1.15758  4.86494      1.11105  0.951042 0.386879  2.16043  0.257136  
1 1 1 37 25 27 o 0.852567 0.326801  0.592876     0.782592 -0.114259    1.07805  1.38068      1.13788  0.793686 0.349736  1.14304  0.40114   
1 1 1 37 25 28 f 1.71554  0.234772  3.06739      0.805521 3.70666      1.11463  2.36853      1.16542  1.86235  0.299254  1.43029  0.394735  
1 1 1 37 25 29 o 1.27421  0.319303  1.8332       0.812826 2.18432      1.13969  1.46971      1.15959  1.36455  0.395011  1.15633  0.40503   
1 1 1 37 25 30 o 1.83479  0.242224  3.57616      0.888859 3.74305      1.29295  3.4266       1.22396  1.78269  0.374529  1.70719  0.368935  
1 1 1 37 25 31 o 0.656302 0.295054  -0.206947    0.810349 0.555721     1.15493  -0.946485    1.13728  0.911787 0.380422  0.67506  0.318511  
1 1 1 37 25 32 f 1.5626   0.287328  2.78894      0.864357 2.42624      1.22485  3.14874      1.21993  1.36968  0.413006  1.58524  0.387506  
1 1 1 37 25 33 o 0.503473 0.246321  -1.31552     0.830263 -2.24337     1.16799  -0.36776     1.18045  0.554282 0.275221  0.736912 0.340459  
1 1 1 37 25 34 o 1.26902  0.336701  2.05029      0.868849 2.61987      1.22305  1.46999      1.23451  1.36124  0.413152  1.05655  0.409182  
1 1 1 37 25 35 o 0.977974 0.364725  1.32013      0.956279 2.33949      1.36661  0.342151     1.33859  1.19006  0.437381  0.821981 0.373494  
1 1 1 37 25 36 o 0.616296 0.290092  -0.386304    0.932581 -1.01736     1.31574  0.25078      1.32202  0.651555 0.316979  0.781536 0.360778  
1 1 1 37 25 37 o 0.762659 0.330765  0.731999     0.933562 0.403866     1.3514   1.03153      1.29117  0.751316 0.352547  0.827065 0.372097  
1 1 1 37 25 38 o 0.920673 0.362546  1.70144      0.978823 2.01632      1.35382  1.35655      1.41686  0.895667 0.393348  0.799605 0.370787  
1 1 1 37 26 0  o 4.49752  0.101328  20.2709      0.910403 20.2709      0.910403 20.2709      0.910403 4.49992  0.0715701 ?        ?         
1 1 1 37 26 1  o 2.92786  0.0927344 8.58122      0.543027 9.09544      0.764491 8.05758      0.771469 3.01295  0.126868  2.83543  0.136041  
1 1 1 37 26 2  o 3.93937  0.0737953 15.5289      0.581414 15.6799      0.818005 15.3748      0.826549 3.95721  0.103356  3.91841  0.10547   
1 1 1 37 26 3  o 2.1078   0.13544   4.45293      0.570961 4.79979      0.804857 4.10155      0.81009  2.18625  0.184073  2.02019  0.200499  
1 1 1 37 26 4  o 2.89028  0.105927  8.36566      0.612315 7.15906      0.84531  9.69771      0.888166 2.67137  0.158216  3.11007  0.142789  
1 1 1 37 26 5  o 5.0685   0.079177  25.711       0.802617 25.9127      1.16265  25.5274      1.10937  5.08605  0.114298  5.04842  0.109873  
1 1 1 37 26 6  o 8.4739   0.0820212 71.8735      1.39008  70.9524      1.95709  72.8113      1.97476  8.41548  0.116279  8.52507  0.115821  
1 1 1 37 26 7  o 3.06092  0.0957798 9.38148      0.586349 10.3497      0.852805 8.51341      0.807493 3.21305  0.13271   2.91377  0.138565  
1 1 1 37 26 8  o 11.4666  0.100164  131.678      2.29706  128.318      3.17847  135.351      3.32345  11.3111  0.140503  11.6163  0.143051  
1 1 1 37 26 9  o 7.62429  0.0781845 58.1854      1.1922   59.0103      1.65142  57.2875      1.72291  7.6748   0.107587  7.5611   0.113932  
1 1 1 37 26 10 o 1.44462  0.175133  2.09763      0.506001 2.27011      0.622925 1.76305      0.867568 1.50125  0.207469  1.29148  0.333617  
1 1 1 37 26 11 o 4.2414   0.0779622 18.0091      0.661338 18.3038      0.920811 17.6951      0.950438 4.27382  0.107727  4.20171  0.113101  
1 1 1 37 26 12 o 5.35817  0.0763358 28.7423      0.81804  28.8028      1.15905  28.6821      1.15473  5.36079  0.108105  5.34957  0.107927  
1 1 1 37 26 13 o 3.15437  0.0971827 9.96924      0.613101 8.99476      0.834475 11.1123      0.903777 2.99323  0.139394  3.32729  0.135813  
1 1 1 37 26 14 o 2.77302  0.111023  7.71018      0.615736 7.74118      0.828191 7.67186      0.9207   2.77566  0.149188  2.76157  0.166699  
1 1 1 37 26 15 o 1.75737  0.168324  3.10911      0.591614 4.21811      0.820203 1.90636      0.854167 2.04407  0.20063   1.33806  0.322495  
1 1 1 37 26 16 o 2.46295  0.106521  6.08443      0.524714 5.41477      0.784965 6.62536      0.705495 2.31821  0.169304  2.56759  0.137385  
1 1 1 37 26 17 o 1.24215  0.222765  1.61149      0.533348 1.7564       0.763487 1.47337      0.745375 1.28362  0.302082  1.17642  0.311735  
1 1 1 37 26 18 o 3.30448  0.097441  10.9521      0.643984 10.7213      0.891937 11.2034      0.930765 3.26475  0.136601  3.33693  0.139464  
1 1 1 37 26 19 o 1.9911   0.147     3.9943       0.585383 4.22336      0.83241  3.7702       0.823378 2.04024  0.203998  1.92632  0.213718  
1 1 1 37 26 20 o 5.76934  0.0876441 33.3768      1.0113   36.1481      1.42817  30.5897      1.43222  5.99698  0.119074  5.51401  0.129871  
1 1 1 37 26 21 o 2.77356  0.129498  7.7433       0.71834  8.92835      1.07857  6.79862      0.962997 2.96885  0.181648  2.58989  0.185915  
1 1 1 37 26 22 o 3.78237  0.105722  14.3736      0.79976  13.8409      1.15152  14.8701      1.1116   3.70137  0.155553  3.83912  0.144773  
1 1 1 37 26 23 o 2.30922  0.156751  5.39849      0.723947 5.21895      0.965928 5.6286       1.09354  2.25872  0.213822  2.34061  0.2336    
1 1 1 37 26 24 o 0.54688  0.254391  -0.559878    0.673647 -0.0941261   0.96065  -1.01049     0.944908 0.761359 0.332872  0.612946 0.289568  
1 1 1 37 26 25 o 2.14589  0.17799   4.69328      0.763893 4.11378      1.05678  5.32741      1.10548  1.98584  0.26608   2.2674   0.243777  
1 1 1 37 26 26 o 2.29666  0.174821  5.38362      0.803009 5.74056      1.19578  5.09044      1.08372  2.34494  0.25497   2.21175  0.244992  
1 1 1 37 26 27 o 1.6853   0.242414  2.96605      0.817084 2.48886      1.13308  3.48303      1.17937  1.47152  0.381799  1.76434  0.346576  
1 1 1 37 26 28 o 0.824284 0.323972  0.5092       0.780224 0.101202     1.10132  0.920305     1.1055   0.834881 0.360631  1.01101  0.38816   
1 1 1 37 26 29 o 1.26673  0.325593  1.82627      0.829269 1.82065      1.14759  1.83241      1.19967  1.25016  0.403657  1.25404  0.412925  
1 1 1 37 26 30 o 1.84585  0.229524  3.61466      0.847333 3.88643      1.22491  3.36528      1.17337  1.82775  0.347624  1.68989  0.358096  
1 1 1 37 26 31 o 1.29072  0.31756   1.94811      0.815239 1.66102      1.11246  2.28112      1.19814  1.17025  0.397635  1.34509  0.409057  
1 1 1 37 26 32 o 0.714423 0.310398  0.116716     0.824895 0.334844     1.15878  -0.107383    1.17453  0.849941 0.368563  0.782125 0.353218  
1 1 1 37 26 33 o 0.887526 0.343559  0.847154     0.87007  2.17869      1.31776  -0.181985    1.1585   1.24194  0.432079  0.752904 0.343533  
1 1 1 37 26 34 o 1.03631  0.355336  1.42845      0.888462 -0.349539    1.23392  3.34268      1.28032  0.730161 0.341439  1.52458  0.410652  
1 1 1 37 26 35 o 0.698514 0.31658   0.06515      0.951818 -0.34559     1.27628  0.57987      1.42873  0.720368 0.339162  0.858731 0.388598  
1 1 1 37 26 36 o 1.22555  0.364125  2.35139      0.956827 0.87171      1.33722  3.90377      1.36968  0.835118 0.377033  1.47869  0.434653  
1 1 1 37 26 37 o 1.12452  0.371784  2.13194      0.97252  2.10982      1.37931  2.15381      1.37142  1.00891  0.418007  1.01856  0.418835  
1 1 1 37 27 0  o 0.934898 0.376267  1.22258      0.682138 1.22258      0.682138 1.22258      0.682138 1.00697  0.277348  ?        ?         
1 1 1 37 27 1  o 1.44189  0.163169  2.0865       0.470543 2.29934      0.655927 1.86084      0.675397 1.51157  0.216969  1.33551  0.262207  
1 1 1 37 27 2  o 5.21808  0.0687399 27.2459      0.71738  26.7623      1.00067  27.7572      1.02898  5.16994  0.0967776 5.26508  0.0977175 
1 1 1 37 27 3  o 11.163   0.0945998 124.765      2.11203  126.074      3.03737  123.54       2.93878  11.2141  0.135427  11.1014  0.13236   
1 1 1 37 27 4  o 3.94017  0.085272  15.5408      0.671972 15.9683      0.959736 15.1296      0.941159 3.99197  0.120208  3.88567  0.121107  
1 1 1 37 27 5  o 8.33844  0.0811319 69.5955      1.35303  68.6943      2.01102  70.3408      1.82887  8.27937  0.121448  8.37972  0.109124  
1 1 1 37 27 6  o 4.20769  0.0807046 17.7218      0.67916  16.3856      0.945166 19.1481      0.976559 4.04379  0.116866  4.37178  0.111689  
1 1 1 37 27 7  o 8.08648  0.0830172 65.4604      1.34263  65.5263      1.93846  65.3997      1.86142  8.0858   0.119868  8.07867  0.115206  
1 1 1 37 27 8  o 0.644203 0.275607  -0.0208776   0.63211  -0.274758    0.924419 0.202076     0.866286 0.729451 0.322328  0.804641 0.332193  
1 1 1 37 27 9  o 6.33605  0.081592  40.1917      1.03394  40.4809      1.49838  39.9288      1.42855  6.35478  0.117894  6.31189  0.113163  
1 1 1 37 27 10 o 5.53064  0.0806906 30.6246      0.892542 30.5597      1.25079  30.6919      1.27402  5.52157  0.113264  5.53328  0.115123  
1 1 1 37 27 11 o 8.5306   0.0903569 72.8875      1.5416   75.9624      2.25108  70.1717      2.11553  8.70143  0.129351  8.36379  0.126469  
1 1 1 37 27 12 o 5.71957  0.0759547 32.7523      0.868857 34.4335      1.20218  30.9138      1.25716  5.86172  0.102545  5.55276  0.113201  
1 1 1 37 27 13 o 5.04331  0.0787758 25.4692      0.794581 26.3453      1.0966   24.5008      1.15293  5.12645  0.106956  4.94259  0.116632  
1 1 1 37 27 14 o 4.39196  0.0849702 19.3222      0.746371 18.9224      1.02196  19.7792      1.09264  4.3429   0.117659  4.43945  0.12306   
1 1 1 37 27 15 o 3.25111  0.102422  10.5988      0.665968 10.8248      0.913372 10.3423      0.973104 3.28183  0.139156  3.20633  0.151747  
1 1 1 37 27 16 o 3.29532  0.099233  10.8897      0.654008 11.329       0.888468 10.3702      0.966233 3.35751  0.13231   3.20997  0.150505  
1 1 1 37 27 17 o 3.91089  0.0844956 15.3287      0.660906 16.6691      0.987997 14.2432      0.889127 4.07353  0.12127   3.76592  0.118049  
1 1 1 37 27 18 o 4.56387  0.0871153 20.8824      0.795167 20.0131      1.16111  21.6501      1.09121  4.46071  0.130149  4.64203  0.117536  
1 1 1 37 27 19 o 2.71012  0.114528  7.37937      0.62077  8.84876      0.896534 6.02609      0.860384 2.96243  0.151317  2.44112  0.176227  
1 1 1 37 27 20 o 4.59292  0.0921864 21.1626      0.846809 22.1511      1.21444  20.2272      1.18138  4.6916   0.129427  4.48272  0.131771  
1 1 1 37 27 21 o 2.6132   0.136412  6.87984      0.712943 6.70185      1.04465  7.03501      0.975414 2.56734  0.20345   2.63411  0.18515   
1 1 1 37 27 22 o 1.29281  0.267002  1.78929      0.666832 1.95166      0.958719 1.63713      0.92811  1.33245  0.353758  1.22629  0.356943  
1 1 1 37 27 23 o 3.31085  0.114478  11.038       0.758041 11.3308      1.03155  10.6944      1.11768  3.34501  0.154193  3.24469  0.172232  
1 1 1 37 27 24 o 0.53838  0.252106  -0.622164    0.678093 -0.963497    0.952876 -0.271961    0.965178 0.621689 0.292806  0.72996  0.325246  
1 1 1 37 27 25 o 1.08391  0.321305  1.27794      0.7456   0.981683     1.04681  1.58299      1.06224  1.02892  0.38202   1.20267  0.388358  
1 1 1 37 27 26 o 2.15701  0.195321  4.78385      0.842617 5.69669      1.24225  4.00596      1.14675  2.32653  0.266974  1.9401   0.29554   
1 1 1 37 27 27 o 2.55136  0.163382  6.64256      0.833692 7.66932      1.21391  5.72592      1.14697  2.71784  0.223322  2.33957  0.245124  
1 1 1 37 27 28 o 1.76379  0.234607  3.26132      0.827596 3.08531      1.13042  3.46463      1.21494  1.64272  0.354174  1.73963  0.361248  
1 1 1 37 27 29 o 0.665682 0.299289  -0.240411    0.833912 -0.66627     1.15754  0.219101     1.2024   0.724262 0.335578  0.872927 0.376938  
1 1 1 37 27 30 o 1.29229  0.315853  1.93911      0.810576 0.864429     1.11927  3.12438      1.17545  0.971401 0.386046  1.61163  0.371956  
1 1 1 37 27 31 o 0.722179 0.310731  0.147542     0.811542 0.676331     1.12739  -0.421136    1.16914  0.919724 0.379232  0.744574 0.341929  
1 1 1 37 27 32 o 0.712457 0.308956  0.149869     0.814325 -0.207276    1.12175  0.54778      1.18404  0.745187 0.33948   0.883802 0.37763   
1 1 1 37 27 33 o 0.613885 0.284709  -0.403546    0.835784 -1.12301     1.24212  0.191692     1.12981  0.664248 0.319458  0.797719 0.353923  
1 1 1 37 27 34 o 0.642152 0.300075  -0.361443    0.950957 -1.72196     1.33729  1.03032      1.35256  0.621621 0.306185  0.934829 0.401655  
1 1 1 37 27 35 o 0.57019  0.275883  -0.933935    0.967626 -0.0458955   1.27201  -2.15364     1.49073  0.747929 0.34855   0.620231 0.308372  
1 1 1 37 27 36 o 1.00915  0.380094  1.7953       1.04365  2.76039      1.5998   1.08028      1.37702  1.08628  0.450127  0.846745 0.382425  
1 1 1 37 27 37 o 0.750815 0.336845  0.703948     1.05117  0.970399     1.47242  0.426995     1.50116  0.80175  0.374164  0.748632 0.357884  
1 1 1 37 28 0  o 4.81975  0.100975  23.2777      0.972383 23.2777      0.972383 23.2777      0.972383 4.82222  0.0713279 ?        ?         
1 1 1 37 28 1  o 5.46238  0.0689571 29.8582      0.753339 29.2768      1.05869  30.4545      1.0722   5.40701  0.0978998 5.51474  0.0972124 
1 1 1 37 28 2  o 1.43063  0.157869  2.05417      0.451703 2.7021       0.618323 1.31267      0.661466 1.6395   0.18857   1.11814  0.292464  
1 1 1 37 28 3  o 7.77825  0.0765933 60.5539      1.19152  59.3476      1.66803  61.8107      1.70264  7.69697  0.108356  7.85506  0.108379  
1 1 1 37 28 4  o 2.95498  0.0941416 8.74362      0.556373 7.94102      0.800743 9.49277      0.773618 2.81362  0.142298  3.07731  0.125697  
1 1 1 37 28 5  o 7.67635  0.079212  58.9841      1.21612  59.7121      1.84661  58.4264      1.61606  7.71865  0.11962   7.63697  0.105805  
1 1 1 37 28 6  o 4.41287  0.080698  19.494       0.712219 18.4901      0.956867 20.7411      1.06648  4.29565  0.111376  4.54911  0.117219  
1 1 1 37 28 7  o 2.04636  0.154094  4.20453      0.630662 4.38327      0.902604 4.03403      0.88155  2.08526  0.216425  2.00017  0.220369  
1 1 1 37 28 8  o 2.95112  0.110582  8.72822      0.652684 8.84564      0.925192 8.61188      0.920893 2.96768  0.155878  2.92809  0.157251  
1 1 1 37 28 9  o 5.80762  0.081408  33.7707      0.945573 33.3238      1.34273  34.2103      1.33182  5.7653   0.11645   5.84179  0.113991  
1 1 1 37 28 10 o 4.55262  0.0880751 20.7583      0.801945 19.8038      1.12188  21.7558      1.14678  4.44312  0.126249  4.65731  0.123116  
1 1 1 37 28 11 o 1.36337  0.226547  1.87855      0.617735 2.02454      0.895075 1.74578      0.853618 1.38053  0.328491  1.28276  0.330706  
1 1 1 37 28 12 o 5.20116  0.0862383 27.0962      0.897078 27.8835      1.30477  26.3903      1.23539  5.27169  0.123752  5.12904  0.120431  
1 1 1 37 28 13 o 2.27166  0.11662   5.1771       0.529842 5.34913      0.707062 4.95677      0.800166 2.3064   0.153283  2.21784  0.180393  
1 1 1 37 28 14 o 6.65163  0.0893025 44.3365      1.18801  44.6603      1.69049  44.0206      1.66991  6.66891  0.126744  6.62111  0.126105  
1 1 1 37 28 15 o 5.31338  0.0819564 28.2859      0.87093  29.4281      1.20571  27.0399      1.2594   5.4153   0.111325  5.18921  0.121348  
1 1 1 37 28 16 o 1.81404  0.160746  3.31666      0.5832   3.31203      0.787333 3.3223       0.868108 1.80687  0.217872  1.80689  0.240221  
1 1 1 37 28 17 o 1.69469  0.15857   2.89587      0.537455 1.80733      0.794669 3.81355      0.729641 1.29844  0.309876  1.94138  0.187918  
1 1 1 37 28 18 o 3.45591  0.0934062 11.9809      0.645607 12.7718      0.924836 11.2292      0.901658 3.5629   0.129787  3.33998  0.13498   
1 1 1 37 28 19 o 4.11906  0.0907638 17.0179      0.747723 17.268       1.09825  16.8017      1.02087  4.14205  0.132573  4.08723  0.124885  
1 1 1 37 28 20 o 3.10133  0.11299   9.66715      0.700841 8.9997       0.97551  10.3792      1.00754  2.98404  0.163454  3.20587  0.15714   
1 1 1 37 28 21 o 1.8835   0.17165   3.59516      0.646606 3.38388      0.901394 3.81913      0.928069 1.81421  0.248427  1.929    0.240557  
1 1 1 37 28 22 o 0.812359 0.305602  0.535518     0.674261 0.320069     0.97956  0.72951      0.929505 0.856597 0.353399  0.9429   0.357684  
1 1 1 37 28 23 o 1.53685  0.230959  2.4341       0.7099   2.13465      0.984734 2.75812      1.02434  1.38593  0.353959  1.58443  0.333723  
1 1 1 37 28 24 o 1.33592  0.28376   1.93711      0.735301 1.79637      1.01202  2.09449      1.07016  1.2705   0.37367   1.36475  0.37888   
1 1 1 37 28 25 o 0.819421 0.323029  0.473623     0.777865 0.445982     1.0851   0.502845     1.11567  0.906724 0.372653  0.927417 0.378959  
1 1 1 37 28 26 o 1.99855  0.20821   4.12494      0.832237 5.62916      1.21398  2.79117      1.14313  2.31319  0.262404  1.56369  0.370692  
1 1 1 37 28 27 o 1.16084  0.320876  1.51026      0.769358 1.54832      1.09417  1.47304      1.082    1.17881  0.394352  1.15628  0.392153  
1 1 1 37 28 28 o 2.93945  0.155108  8.83313      0.911862 9.45488      1.30378  8.23776      1.27581  3.01011  0.216566  2.80363  0.227529  
1 1 1 37 28 29 o 1.52704  0.274506  2.59185      0.807867 2.13034      1.12766  3.07847      1.15793  1.32248  0.39578   1.60889  0.367723  
1 1 1 37 28 30 o 1.20233  0.327317  1.70136      0.80807  0.845932     1.10322  2.69151      1.18693  0.960059 0.382725  1.47142  0.394967  
1 1 1 37 28 31 f 2.63557  0.16495   7.23607      0.869474 7.41199      1.2176   7.05302      1.242    2.61611  0.232712  2.54206  0.244291  
1 1 1 37 28 32 o 1.36187  0.309926  2.24445      0.825429 2.46931      1.15676  2.01118      1.1782   1.35239  0.400055  1.21475  0.409214  
1 1 1 37 28 33 o 0.561695 0.269144  -0.821985    0.861609 -1.63998     1.25939  -0.102227    1.18135  0.616761 0.302126  0.754166 0.345234  
1 1 1 37 28 34 o 0.670389 0.305545  -0.0524842   0.910965 -0.199456    1.28058  0.0980838    1.29616  0.739279 0.346229  0.778733 0.358626  
1 1 1 37 28 35 o 0.887994 0.362228  1.15445      1.01758  1.25708      1.4027   1.04044      1.47843  0.910246 0.400065  0.880572 0.397058  
1 1 1 37 28 36 o 0.974381 0.375748  1.68899      1.03868  1.4263       1.49678  1.93298      1.44254  0.884326 0.39909   0.962451 0.414197  
1 1 1 37 28 37 o 0.937013 0.376106  1.92304      1.07459  1.76045      1.52785  2.08221      1.51168  0.828436 0.384494  0.868362 0.395191  
1 1 1 37 29 0  o 7.71733  0.102125  59.6377      1.57565  59.6377      1.57565  59.6377      1.57565  7.71992  0.072175  ?        ?         
1 1 1 37 29 1  o 0.925272 0.252251  0.892886     0.479509 1.43083      0.671577 0.333424     0.684876 1.16548  0.289136  0.765704 0.30271   
1 1 1 37 29 2  o 6.81056  0.069422  46.4196      0.945605 46.8395      1.35065  46.016       1.32431  6.83853  0.0987532 6.77826  0.0976881 
1 1 1 37 29 3  o 5.61411  0.0733519 31.5459      0.82361  32.8516      1.1941   30.3612      1.13748  5.7265   0.104261  5.50525  0.103309  
1 1 1 37 29 4  o 0.956616 0.260496  0.955776     0.511732 0.649665     0.758856 1.21107      0.693014 0.889174 0.326009  1.07807  0.306728  
1 1 1 37 29 5  o 1.92201  0.135709  3.70592      0.521665 4.49571      0.802291 3.12743      0.68663  2.11367  0.189787  1.76262  0.194776  
1 1 1 37 29 6  o 4.84246  0.0839566 23.4792      0.813114 24.5223      1.16902  22.5015      1.13172  4.94577  0.118183  4.73747  0.119444  
1 1 1 37 29 7  o 2.10386  0.146673  4.44403      0.61716  4.29484      0.877563 4.59003      0.868105 2.06368  0.212621  2.13419  0.203381  
1 1 1 37 29 8  o 5.50731  0.0841574 30.3726      0.926962 31.396       1.31683  29.3673      1.30509  5.59565  0.117666  5.41147  0.120586  
1 1 1 37 29 9  o 6.79813  0.088428  46.2879      1.20229  47.7833      1.66823  44.6717      1.73428  6.90237  0.120845  6.67232  0.129961  
1 1 1 37 29 10 o 2.35021  0.136881  5.54529      0.643401 6.81786      0.933177 4.39219      0.888293 2.60238  0.179293  2.0859   0.212928  
1 1 1 37 29 11 o 3.6178   0.100389  13.118       0.726375 12.0787      1.01697  14.2004      1.03785  3.46716  0.146657  3.76038  0.137998  
1 1 1 37 29 12 o 2.69748  0.121285  7.30214      0.654329 7.47049      0.918674 7.1288       0.932197 2.72392  0.168631  2.66018  0.175213  
1 1 1 37 29 13 o 3.04288  0.113977  9.29087      0.693638 8.60491      0.921389 10.1882      1.0538   2.92392  0.157561  3.18047  0.165667  
1 1 1 37 29 14 o 3.77313  0.0857211 14.2663      0.646873 14.2159      0.890436 14.3226      0.941317 3.76297  0.118316  3.77625  0.124637  
1 1 1 37 29 15 o 1.08545  0.260061  1.24968      0.558013 1.39028      0.749099 1.07441      0.836396 1.14396  0.316796  1.03945  0.344784  
1 1 1 37 29 16 o 2.07821  0.143974  4.34822      0.598419 4.60444      0.814517 4.04771      0.882102 2.13296  0.190936  1.99582  0.220988  
1 1 1 37 29 17 o 3.10022  0.0952955 9.64292      0.590874 10.4401      0.868275 8.95528      0.806397 3.22051  0.134804  2.98266  0.135181  
1 1 1 37 29 18 o 3.40482  0.0973999 11.6322      0.663259 9.81735      0.916232 13.6303      0.961375 3.12111  0.14678   3.68058  0.130601  
1 1 1 37 29 19 o 3.80797  0.09464   14.552       0.720773 13.1347      1.00797  16.035       1.03108  3.61028  0.139597  3.99122  0.129168  
1 1 1 37 29 20 o 2.41746  0.137043  5.89057      0.662593 5.3692       0.944653 6.39549      0.929624 2.29651  0.205671  2.51063  0.185138  
1 1 1 37 29 21 o 4.05734  0.0983113 16.5419      0.797764 15.663       1.09095  17.552       1.16957  3.9388   0.138487  4.16904  0.140269  
1 1 1 37 29 22 o 1.64355  0.203082  2.76282      0.66755  3.8768       0.973431 1.77383      0.917194 1.93529  0.251494  1.26822  0.35026   
1 1 1 37 29 23 o 3.13005  0.125033  9.88837      0.782719 10.1941      1.12504  9.60161      1.08967  3.16312  0.177837  3.06995  0.177473  
1 1 1 37 29 24 o 2.70446  0.152669  7.42518      0.825776 6.47659      1.11529  8.5762       1.22855  2.50457  0.222652  2.886    0.212847  
1 1 1 37 29 25 o 1.19023  0.316604  1.57633      0.766997 0.340503     1.10547  2.72344      1.06505  0.886978 0.371265  1.5542   0.350919  
1 1 1 37 29 26 o 4.2278   0.114985  18.0558      0.972267 17.4408      1.40755  18.617       1.34459  4.13036  0.170391  4.27427  0.15729   
1 1 1 37 29 27 o 2.23199  0.180445  5.12434      0.8055   5.71425      1.14813  4.55252      1.13038  2.32909  0.246475  2.06684  0.273456  
1 1 1 37 29 28 o 1.89135  0.22374   3.76479      0.846343 3.31916      1.23037  4.16502      1.16604  1.67662  0.376211  1.95199  0.298679  
1 1 1 37 29 29 o 1.93042  0.207656  3.92335      0.801724 4.03142      1.12489  3.81178      1.14295  1.90928  0.294585  1.81947  0.325879  
1 1 1 37 29 30 o 0.944731 0.335114  0.983016     0.796028 0.146779     1.11219  1.86134      1.13983  0.815754 0.357397  1.21926  0.402496  
1 1 1 37 29 31 o 1.03618  0.341586  1.30434      0.820949 1.5504       1.13127  1.03061      1.19319  1.10582  0.398767  0.984305 0.395808  
1 1 1 37 29 32 o 1.00318  0.34186   1.24726      0.822267 0.19847      1.15845  2.31216      1.16732  0.806829 0.35812   1.29469  0.405814  
1 1 1 37 29 33 o 0.787216 0.335101  0.5075       0.926199 -0.822793    1.29195  1.91413      1.3285   0.68771  0.329538  1.11534  0.426294  
1 1 1 37 29 34 o 0.907159 0.362722  1.09029      0.993997 0.977957     1.43072  1.19511      1.38199  0.910747 0.401903  0.941806 0.405363  
1 1 1 37 29 35 o 0.942374 0.370518  1.48103      1.02086  1.44038      1.38427  1.52951      1.51155  0.909925 0.39869   0.918181 0.408126  
1 1 1 37 29 36 o 0.900514 0.371741  1.42522      1.08467  1.29186      1.62495  1.53239      1.45671  0.858407 0.397681  0.892189 0.398494  
1 1 1 37 30 0  o 3.61618  0.108787  13.1258      0.785174 13.1258      0.785174 13.1258      0.785174 3.61958  0.0767722 ?        ?         
1 1 1 37 30 1  o 7.61496  0.0709383 58.0392      1.08038  57.085       1.50275  59.0599      1.55434  7.54882  0.0995356 7.67806  0.10122   
1 1 1 37 30 2  o 4.79534  0.0688753 23.0147      0.660561 23.5569      0.957331 22.522       0.91262  4.84931  0.0987079 4.74181  0.0962313 
1 1 1 37 30 3  o 7.54471  0.0761935 56.9825      1.14972  57.238       1.6029   56.7117      1.65001  7.55786  0.106042  7.5225   0.109672  
1 1 1 37 30 4  f 2.40541  0.109151  5.79875      0.525106 6.26251      0.765043 5.38566      0.722045 2.49707  0.153188  2.31549  0.155916  
1 1 1 37 30 5  o 3.95103  0.0895749 15.6345      0.707827 14.6766      1.04976  16.433       0.958486 3.82416  0.137254  4.04837  0.118379  
1 1 1 37 30 6  o 3.7848   0.0953483 14.3503      0.721748 13.9656      1.02184  14.7334      1.01958  3.73019  0.136969  3.83175  0.133043  
1 1 1 37 30 7  o 3.99714  0.0922723 16.0046      0.73765  16.101       1.04467  15.9087      1.04173  4.00576  0.130396  3.98173  0.130813  
1 1 1 37 30 8  o 1.81572  0.17105   3.31687      0.621155 1.99965      0.862041 4.73937      0.895826 1.37301  0.319615  2.16747  0.206652  
1 1 1 37 30 9  o 3.28326  0.103402  10.8047      0.678989 9.82712      0.94206  11.8616      0.979506 3.12721  0.150623  3.43658  0.142512  
1 1 1 37 30 10 o 3.18979  0.105728  10.2009      0.674503 10.8486      0.950566 9.54403      0.957251 3.28586  0.144645  3.08085  0.155355  
1 1 1 37 30 11 o 5.86047  0.0851922 34.4065      0.998533 35.9641      1.42456  32.9021      1.40004  5.9866   0.118979  5.72553  0.122263  
1 1 1 37 30 12 o 3.42525  0.102002  11.7651      0.698762 11.2213      0.962433 12.3713      1.01615  3.3406   0.144051  3.50749  0.144854  
1 1 1 37 30 13 o 3.75294  0.0998809 14.1248      0.749695 14.7874      1.01887  13.3425      1.10707  3.83584  0.132809  3.64081  0.152036  
1 1 1 37 30 14 o 3.50407  0.105408  12.32        0.738716 13.0821      1.03905  11.541       1.05045  3.60558  0.144089  3.38486  0.155169  
1 1 1 37 30 15 o 3.06445  0.101675  9.42245      0.623157 9.17316      0.839063 9.72908      0.930579 3.01912  0.138958  3.10768  0.149723  
1 1 1 37 30 16 o 2.43068  0.126486  5.94217      0.614894 6.64869      0.834055 5.10097      0.910095 2.5663   0.162501  2.24192  0.202972  
1 1 1 37 30 17 o 1.74129  0.185179  3.06925      0.6449   3.47664      0.845525 2.50262      0.997175 1.84718  0.228869  1.52313  0.336344  
1 1 1 37 30 18 o 0.696305 0.275303  0.291188     0.566533 0.240429     0.828305 0.335806     0.776589 0.789134 0.325167  0.793637 0.319243  
1 1 1 37 30 19 o 1.27364  0.245874  1.71397      0.603956 1.4043       0.867284 2.00554      0.841542 1.1493   0.347729  1.36327  0.31478   
1 1 1 37 30 20 o 1.73896  0.180888  3.07322      0.629113 3.47644      0.89939  2.68691      0.880318 1.83753  0.244727  1.58475  0.288411  
1 1 1 37 30 21 o 0.872696 0.302213  0.736342     0.644033 0.484239     0.891661 1.01132      0.931228 0.865863 0.34442   1.02242  0.362479  
1 1 1 37 30 22 o 0.845165 0.307986  0.640724     0.676372 0.928069     0.992395 0.391461     0.924299 1.00754  0.372383  0.850357 0.345777  
1 1 1 37 30 23 o 0.925593 0.312327  0.868193     0.686337 0.642547     0.976035 1.08891      0.965308 0.924669 0.362651  1.04446  0.369177  
1 1 1 37 30 24 o 4.21605  0.109938  17.9271      0.927009 17.7155      1.22103  18.215       1.42429  4.17758  0.146141  4.22571  0.168527  
1 1 1 37 30 25 o 4.21697  0.109975  17.9459      0.927523 16.4461      1.3194   19.4113      1.30416  4.01442  0.164333  4.36903  0.14925   
1 1 1 37 30 26 f 1.33289  0.313046  1.99077      0.82121  2.39374      1.20153  1.63752      1.12497  1.42723  0.403177  1.20478  0.399864  
1 1 1 37 30 27 o 1.8319   0.221524  3.51097      0.811619 3.98565      1.16717  3.06654      1.12937  1.91448  0.304826  1.63114  0.356036  
1 1 1 37 30 28 o 0.930892 0.334896  0.90203      0.797486 0.667362     1.11971  1.14362      1.1361   0.93227  0.380077  1.0459   0.395827  
1 1 1 37 30 29 o 2.53067  0.167469  6.63377      0.847616 6.12801      1.20713  7.12566      1.19046  2.37925  0.253679  2.58289  0.230452  
1 1 1 37 30 30 o 1.72812  0.238464  3.24499      0.824186 4.54337      1.19409  2.06361      1.13901  2.00041  0.298461  1.26521  0.401508  
1 1 1 37 30 31 o 1.01274  0.339472  1.26067      0.810823 0.372008     1.13337  2.19232      1.16046  0.835251 0.36338   1.26964  0.40551   
1 1 1 37 30 32 o 0.91558  0.340597  1.00119      0.832899 -0.190647    1.13826  2.37482      1.22199  0.734194 0.337255  1.28141  0.41675   
1 1 1 37 30 33 o 0.964679 0.361438  1.28029      0.941277 0.960093     1.28964  1.64532      1.37698  0.907153 0.391029  1.03448  0.421573  
1 1 1 37 30 34 o 0.889401 0.360262  1.09722      0.998698 0.410775     1.43083  1.74935      1.39461  0.813314 0.375404  1.0128   0.42001   
1 1 1 37 30 35 o 0.87811  0.360797  1.28165      1.01688  1.32317      1.37083  1.23084      1.51632  0.869476 0.387506  0.855771 0.391488  
1 1 1 37 30 36 o 0.870471 0.367933  1.51999      1.10337  2.0516       1.62933  1.06971      1.49953  0.882879 0.404692  0.782285 0.368114  
1 1 1 37 31 0  o 2.46867  0.142211  6.16652      0.69681  6.16652      0.69681  6.16652      0.69681  2.47604  0.0998664 ?        ?         
1 1 1 37 31 1  o 6.62599  0.0685433 43.9437      0.908334 43.7223      1.29661  44.1571      1.27288  6.60612  0.0981369 6.63918  0.0958611 
1 1 1 37 31 2  o 7.16883  0.0705753 51.4423      1.01188  53.078       1.47378  49.9835      1.39178  7.27818  0.101246  7.0632   0.0985237 
1 1 1 37 31 3  o 3.15531  0.0902227 9.97205      0.569361 11.0355      0.839171 9.06492      0.775043 3.31673  0.126506  3.00587  0.128922  
1 1 1 37 31 4  o 2.64527  0.100559  7.01165      0.532008 6.59489      0.768384 7.39541      0.737324 2.56229  0.149941  2.71444  0.135815  
1 1 1 37 31 5  o 3.3856   0.107659  11.4894      0.728983 13.1014      1.0834   10.1559      0.985423 3.61133  0.150001  3.17908  0.154986  
1 1 1 37 31 6  o 2.02045  0.155242  4.10274      0.627318 3.92631      0.90808  4.2638       0.867624 1.97068  0.230398  2.05543  0.211057  
1 1 1 37 31 7  o 5.96573  0.0848599 35.6451      1.0125   33.4083      1.38305  38.2283      1.48632  5.77115  0.119824  6.17336  0.120381  
1 1 1 37 31 8  o 3.67261  0.0947052 13.5153      0.695631 14.1529      0.987284 12.8867      0.980294 3.75476  0.131471  3.58229  0.136825  
1 1 1 37 31 9  o 5.51397  0.0837777 30.4546      0.923896 30.5506      1.2742   30.3483      1.34158  5.51852  0.115447  5.49921  0.121979  
1 1 1 37 31 10 o 1.64142  0.186129  2.71804      0.611031 2.41775      0.854651 3.03203      0.873928 1.51444  0.292611  1.72731  0.252974  
1 1 1 37 31 11 o 1.79272  0.175183  3.241        0.628109 3.87186      0.880522 2.58741      0.896247 1.95422  0.225287  1.56561  0.296989  
1 1 1 37 31 12 o 2.8177   0.122803  7.97408      0.692043 9.30608      0.943891 6.42575      1.01766  3.04008  0.155241  2.52019  0.201902  
1 1 1 37 31 13 o 1.45437  0.219912  2.14647      0.639667 2.6226       0.891107 1.64032      0.918779 1.575    0.293822  1.24028  0.353267  
1 1 1 37 31 14 o 3.67903  0.106285  13.5852      0.782053 11.5818      1.10309  15.6097      1.10892  3.38838  0.162775  3.93802  0.140796  
1 1 1 37 31 15 o 2.23162  0.153222  5.02201      0.683867 6.09966      0.947192 3.84858      0.98839  2.45334  0.193041  1.93923  0.25484   
1 1 1 37 31 16 o 1.09192  0.27425   1.27154      0.598602 0.668397     0.803823 2.02246      0.896908 0.899163 0.334577  1.36885  0.33081   
1 1 1 37 31 17 o 0.719256 0.287514  0.285385     0.624298 0.953216     0.850653 -0.494233    0.919095 0.997544 0.347144  0.680722 0.309355  
1 1 1 37 31 18 o 2.56853  0.119248  6.63503      0.612585 6.14023      0.887684 7.08492      0.846439 2.46178  0.180293  2.64807  0.159822  
1 1 1 37 31 19 o 3.17817  0.107441  10.1568      0.682932 9.97302      0.97794  10.3318      0.954125 3.13985  0.155731  3.19734  0.149206  
1 1 1 37 31 20 o 1.40566  0.231052  2.0298       0.649561 3.07129      0.938619 1.07259      0.899842 1.72003  0.27285   1.03685  0.357402  
1 1 1 37 31 21 o 3.06751  0.115632  9.48174      0.709403 10.0722      1.01353  8.91465      0.993269 3.1503   0.160863  2.96187  0.167676  
1 1 1 37 31 22 o 1.18488  0.282263  1.52746      0.660283 1.80435      0.925232 1.24011      0.942571 1.27417  0.351742  1.0886   0.366015  
1 1 1 37 31 23 o 2.36173  0.165232  5.67996      0.780466 4.76785      1.08482  6.65862      1.1237   2.1378   0.253724  2.539    0.221288  
1 1 1 37 31 24 o 1.40078  0.281392  2.14111      0.76059  2.42694      1.04291  1.81634      1.11165  1.4619   0.358868  1.26549  0.395891  
1 1 1 37 31 25 o 3.29518  0.131202  11.0033      0.864666 13.0883      1.21605  8.87128      1.22971  3.57784  0.169942  2.92873  0.209939  
1 1 1 37 31 26 o 2.1892   0.186941  4.94026      0.818503 4.8023       1.17819  5.06895      1.13793  2.12035  0.27783   2.18704  0.260153  
1 1 1 37 31 27 o 1.4132   0.28413   2.22873      0.774822 1.18475      1.09863  3.26189      1.09292  1.05899  0.391726  1.68641  0.33595   
1 1 1 37 31 28 o 0.951713 0.33928   0.972274     0.816854 1.26799      1.12154  0.638183     1.19209  1.07014  0.395802  0.937269 0.388481  
1 1 1 37 31 29 o 1.64398  0.250854  2.93798      0.824801 3.70292      1.1946   2.24113      1.14019  1.76014  0.351788  1.33178  0.397853  
1 1 1 37 31 30 o 3.31795  0.134652  11.3426      0.893538 12.1727      1.27185  10.5336      1.25562  3.38987  0.187595  3.14156  0.19984   
1 1 1 37 31 31 o 0.901092 0.338963  0.917772     0.829481 0.645128     1.16389  1.19918      1.18245  0.88638  0.37643   1.00342  0.397415  
1 1 1 37 31 32 o 0.825106 0.337418  0.696314     0.885179 1.0696       1.19152  0.236562     1.32234  0.940119 0.388946  0.81859  0.371757  
1 1 1 37 31 33 o 2.01755  0.250377  4.78104      1.0103   5.05735      1.38645  4.46821      1.47523  1.89741  0.378759  1.68927  0.434306  
1 1 1 37 31 34 o 0.753179 0.335505  0.536647     1.02643  0.765448     1.40068  0.271266     1.50849  0.822268 0.376204  0.776039 0.366353  
1 1 1 37 31 35 o 0.688914 0.313446  0.27692      0.94967  0.163024     1.341    0.391508     1.34508  0.730609 0.345064  0.755499 0.354007  
1 1 1 37 32 0  o 5.57869  0.0944554 31.1772      1.05319  31.1772      1.05319  31.1772      1.05319  5.58118  0.0667386 ?        ?         
1 1 1 37 32 1  o 2.88579  0.0884687 8.34125      0.510603 7.98257      0.710395 8.72459      0.734407 2.82075  0.125923  2.94904  0.124516  
1 1 1 37 32 2  o 10.2499  0.083323  105.212      1.7081   106.867      2.45982  103.67       2.37372  10.3225  0.119148  10.1675  0.11673   
1 1 1 37 32 3  o 1.51737  0.165723  2.31569      0.502923 2.28448      0.755322 2.34055      0.674074 1.47879  0.264981  1.52212  0.221426  
1 1 1 37 32 4  o 4.70317  0.0759635 22.147       0.714538 22.824       1.09304  21.6419      0.944232 4.77081  0.114555  4.647    0.101596  
1 1 1 37 32 5  o 1.7932   0.180042  3.23846      0.645703 2.61225      0.922457 3.84005      0.904142 1.57538  0.303608  1.94819  0.232047  
1 1 1 37 32 6  o 3.82029  0.0954968 14.6249      0.72965  15.2415      1.04852  14.0458      1.01601  3.89606  0.134562  3.73997  0.135831  
1 1 1 37 32 7  o 1.96676  0.158488  3.89116      0.623417 4.56694      0.883925 3.22231      0.879381 2.12619  0.207866  1.78228  0.246701  
1 1 1 37 32 8  f 3.09957  0.108449  9.6356       0.672294 9.62442      0.944329 9.64708      0.95734  3.09336  0.152638  3.09677  0.154571  
1 1 1 37 32 9  o 5.37852  0.0853279 28.9845      0.917875 28.3845      1.31463  29.5553      1.28213  5.31698  0.123625  5.42648  0.118136  
1 1 1 37 32 10 o 3.99649  0.0940058 16.0116      0.751386 16.2812      1.06032  15.7397      1.06493  4.02527  0.131708  3.95735  0.134551  
1 1 1 37 32 11 o 4.26206  0.0934185 18.2118      0.796311 18.2964      1.11278  18.123       1.14002  4.26684  0.130399  4.24594  0.134249  
1 1 1 37 32 12 o 2.25393  0.15249   5.11682      0.687402 5.61012      0.929606 4.52165      1.02109  2.35433  0.197425  2.10725  0.24228   
1 1 1 37 32 13 o 1.32037  0.251357  1.83532      0.639872 2.03316      0.902413 1.63528      0.90744  1.3742   0.33165   1.23613  0.35076   
1 1 1 37 32 14 o 0.649635 0.277187  0.0121679    0.636364 -0.280968    0.880201 0.333178     0.921101 0.701018 0.311532  0.846717 0.344883  
1 1 1 37 32 15 f 2.56272  0.134453  6.61001      0.689131 6.34252      0.954013 6.90188      0.996534 2.50206  0.190646  2.61001  0.190906  
1 1 1 37 32 16 o 3.16953  0.120793  10.1019      0.765713 9.66407      1.12263  10.4829      1.04708  3.08922  0.181701  3.22146  0.162516  
1 1 1 37 32 17 f 3.09868  0.113215  9.65109      0.701634 9.06462      0.953783 10.3428      1.0358   2.99547  0.159204  3.19914  0.161888  
1 1 1 37 32 18 o 0.889722 0.283157  0.812216     0.566193 0.506409     0.842084 1.06454      0.764904 0.858957 0.336854  1.01632  0.32969   
1 1 1 37 32 19 o 2.1263   0.15165   4.57382      0.644904 5.07189      0.934566 4.12105      0.891052 2.2274   0.209789  2.00512  0.222194  
1 1 1 37 32 20 o 2.50352  0.132246  6.32948      0.662162 6.95203      0.929821 5.68888      0.9432   2.61332  0.177901  2.35854  0.199954  
1 1 1 37 32 21 o 1.72001  0.190189  3.02237      0.654254 1.85357      0.909177 4.27767      0.942217 1.29279  0.345074  2.03584  0.231407  
1 1 1 37 32 22 o 1.67164  0.204906  2.87055      0.685056 2.04081      0.959271 3.73416      0.978652 1.35     0.351778  1.89149  0.258698  
1 1 1 37 32 23 o 2.08812  0.182787  4.46816      0.763359 3.60887      1.06835  5.36447      1.09112  1.84346  0.289768  2.26823  0.240522  
1 1 1 37 32 24 o 2.63011  0.149679  7.03583      0.787342 6.85794      1.11065  7.21553      1.11631  2.57334  0.2158    2.64145  0.211306  
1 1 1 37 32 25 o 1.90493  0.217085  3.77814      0.82706  3.44664      1.1646   4.11544      1.17475  1.74489  0.346019  1.95324  0.300718  
1 1 1 37 32 26 o 1.14167  0.33196   1.48502      0.803151 2.73468      1.19448  0.453865     1.08504  1.5166   0.391313  0.890587 0.369971  
1 1 1 37 32 27 o 0.731655 0.30827   0.215905     0.770469 -0.148161    1.09798  0.569073     1.08142  0.772768 0.345538  0.90182  0.371562  
1 1 1 37 32 28 o 2.20163  0.193904  5.08222      0.853811 6.07243      1.21262  4.10864      1.20239  2.3657   0.256292  1.90807  0.315079  
1 1 1 37 32 29 o 1.90353  0.214079  3.8777       0.815015 4.32029      1.16983  3.46025      1.13612  1.94858  0.300175  1.69113  0.347829  
1 1 1 37 32 30 o 0.852488 0.336619  0.722999     0.845985 1.7335       1.21535  -0.226857    1.17831  1.13909  0.413067  0.753377 0.344838  
1 1 1 37 32 31 o 0.789872 0.328249  0.513552     0.854594 1.05814      1.19222  -0.0619895   1.22563  0.958949 0.391777  0.774601 0.353409  
1 1 1 37 32 32 o 0.493186 0.244753  -1.65735     0.917455 -1.74654     1.3012   -1.56917     1.29379  0.606773 0.298834  0.617643 0.303702  
1 1 1 37 32 33 o 0.583861 0.282514  -0.912715    1.01528  -1.88781     1.34637  0.372784     1.54588  0.597786 0.29664   0.829916 0.385786  
1 1 1 37 32 34 o 0.925748 0.364543  1.45109      0.989628 2.83011      1.40718  0.101583     1.39204  1.14365  0.438264  0.72928  0.347675  
1 1 1 37 32 35 o 0.630012 0.298364  -0.091689    1.00873  0.0640099    1.4719   -0.22958     1.38517  0.707422 0.341931  0.673705 0.326962  
1 1 1 37 33 0  o 12.3947  0.132149  153.982      3.27506  153.982      3.27506  153.982      3.27506  12.4019  0.0933775 ?        ?         
1 1 1 37 33 1  o 1.97587  0.11994   3.91668      0.473973 3.21996      0.658484 4.66576      0.682775 1.78765  0.184176  2.15399  0.158491  
1 1 1 37 33 2  o 3.68016  0.0731447 13.56        0.538368 14.3545      0.773991 12.8153      0.749343 3.78426  0.102264  3.57542  0.104791  
1 1 1 37 33 3  o 11.3359  0.0954321 128.772      2.16362  127.626      2.97972  130.051      3.14675  11.2746  0.132143  11.379   0.13827   
1 1 1 37 33 4  o 3.87692  0.0872831 15.0575      0.67678  14.8208      0.974107 15.2785      0.940976 3.84251  0.126754  3.9021   0.120573  
1 1 1 37 33 5  o 2.85918  0.120275  8.20368      0.687778 8.7108       0.985063 7.72132      0.960723 2.94141  0.167447  2.76863  0.173502  
1 1 1 37 33 6  o 5.66046  0.0859503 32.1007      0.973036 32.1362      1.35417  32.0628      1.39909  5.65868  0.119655  5.6515   0.12378   
1 1 1 37 33 7  o 0.611665 0.265549  -0.0812824   0.602869 -1.59675     0.833937 1.57774      0.872543 0.50356  0.246481  1.21967  0.343263  
1 1 1 37 33 8  o 2.542    0.126984  6.49076      0.645588 6.69765      0.909462 6.28063      0.916577 2.57693  0.176462  2.49453  0.183718  
1 1 1 37 33 9  o 6.11647  0.0887598 37.4964      1.08579  35.4597      1.61574  39.1735      1.46622  5.93907  0.136026  6.24655  0.117362  
1 1 1 37 33 10 o 3.5795   0.103357  12.8541      0.739934 14.4279      1.03929  11.2363      1.05371  3.78771  0.137192  3.33959  0.15776   
1 1 1 37 33 11 o 5.47363  0.0918245 30.0405      1.00523  30.4243      1.35793  29.5751      1.49517  5.50248  0.123393  5.42189  0.137882  
1 1 1 37 33 12 o 2.22385  0.158303  4.98729      0.704084 6.00139      0.962974 3.82247      1.03206  2.4336   0.19785   1.93177  0.267129  
1 1 1 37 33 13 o 2.5068   0.133316  6.32437      0.66839  6.93831      0.953293 5.73073      0.937401 2.61836  0.18204   2.37718  0.197167  
1 1 1 37 33 14 o 3.47724  0.108344  12.1419      0.753476 11.4733      1.03778  12.8873      1.09573  3.37284  0.153844  3.57476  0.153259  
1 1 1 37 33 15 o 0.832434 0.306797  0.583597     0.672805 0.822393     0.932051 0.323786     0.972196 0.977101 0.360934  0.861518 0.353179  
1 1 1 37 33 16 o 2.04553  0.185776  4.24198      0.760022 4.37328      1.14153  4.13743      1.01861  2.05961  0.277122  2.00821  0.253613  
1 1 1 37 33 17 o 1.8252   0.172005  3.37591      0.627887 2.99975      0.861743 3.80161      0.916738 1.70754  0.252334  1.92523  0.238086  
1 1 1 37 33 18 o 1.60777  0.200483  2.63734      0.644664 3.09135      0.8791   2.10915      0.948201 1.73035  0.254023  1.38534  0.343489  
1 1 1 37 33 19 o 0.691383 0.280027  0.238928     0.603314 0.321996     0.843646 0.151982     0.863117 0.807656 0.329699  0.774755 0.326346  
1 1 1 37 33 20 o 1.8995   0.16792   3.668        0.637927 2.82898      0.903625 4.50161      0.900711 1.62102  0.289118  2.09334  0.215137  
1 1 1 37 33 21 o 3.05469  0.115059  9.40927      0.70294  9.292        0.98131  9.53286      1.00742  3.02296  0.16231   3.06118  0.164547  
1 1 1 37 33 22 o 3.44322  0.113065  11.9631      0.778614 11.6507      1.07426  12.3089      1.13012  3.38329  0.15876   3.47606  0.162557  
1 1 1 37 33 23 o 1.89764  0.195173  3.70484      0.740736 4.84177      1.01085  2.38636      1.08858  2.15598  0.23443   1.44335  0.374103  
1 1 1 37 33 24 o 4.49327  0.110296  20.3903      0.99118  19.5015      1.41385  21.2494      1.38993  4.36959  0.161783  4.56672  0.152181  
1 1 1 37 33 25 o 0.601113 0.279274  -0.590491    0.808691 -1.12159     1.19089  -0.136014    1.10164  0.687419 0.324906  0.789594 0.350006  
1 1 1 37 33 26 o 2.03888  0.201888  4.34332      0.823249 4.11168      1.2464   4.52258      1.09646  1.88968  0.34238   2.04727  0.267785  
1 1 1 37 33 27 o 1.26984  0.318454  1.87867      0.808039 2.5185       1.1363   1.22413      1.14929  1.43196  0.38739   1.06082  0.399002  
1 1 1 37 33 28 o 2.40179  0.17209   6.00922      0.826651 5.73239      1.18672  6.27017      1.15217  2.2883   0.259301  2.40885  0.239153  
1 1 1 37 33 29 o 1.32121  0.323904  2.12214      0.85045  1.1747       1.20414  3.06514      1.2013   1.01611  0.401484  1.53563  0.390212  
1 1 1 37 33 30 o 0.629188 0.290464  -0.359702    0.85705  -0.401496    1.21419  -0.318201    1.20992  0.736402 0.342157  0.745844 0.344623  
1 1 1 37 33 31 o 1.66408  0.271791  3.25956      0.904563 3.70882      1.23849  2.74587      1.32431  1.63794  0.384277  1.32944  0.433847  
1 1 1 37 33 32 o 0.906868 0.358149  1.08162      0.957802 0.22219      1.32366  2.0262       1.38768  0.796619 0.364989  1.10267  0.432425  
1 1 1 37 33 33 o 0.799011 0.342112  0.801501     0.975343 0.181497     1.35022  1.47804      1.41043  0.750544 0.352223  0.926026 0.404116  
1 1 1 37 33 34 f 0.585376 0.283264  -0.673366    1.02125  -0.856214    1.44299  -0.489868    1.44555  0.657979 0.322633  0.685827 0.33321   
1 1 1 37 33 35 o 0.862486 0.363145  1.57026      1.06798  1.06124      1.55044  2.02983      1.47321  0.757542 0.362518  0.866722 0.393283  
1 1 1 37 34 0  o 2.47305  0.138865  6.18814      0.681889 6.18814      0.681889 6.18814      0.681889 2.48041  0.097538  ?        ?         
1 1 1 37 34 1  o 4.15595  0.0700296 17.2932      0.58208  17.0797      0.812723 17.518       0.834062 4.12777  0.0984458 4.18026  0.0997618 
1 1 1 37 34 2  o 3.95685  0.0728079 15.6777      0.576181 15.7059      0.825468 15.6509      0.804617 3.95764  0.104288  3.95096  0.101826  
1 1 1 37 34 3  o 2.47715  0.102469  6.1529       0.507664 6.51786      0.736994 5.82338      0.700302 2.54618  0.144726  2.40664  0.145494  
1 1 1 37 34 4  o 1.80089  0.171598  3.26848      0.618057 3.39795      0.880187 3.14256      0.868069 1.82949  0.240556  1.7587   0.246792  
1 1 1 37 34 5  o 2.89144  0.119212  8.39296      0.689385 8.0017       0.991975 8.75844      0.958749 2.8169   0.176076  2.94891  0.16256   
1 1 1 37 34 6  o 2.86035  0.116732  8.21292      0.667789 8.27592      0.9498   8.15135      0.939084 2.86585  0.16571   2.84428  0.165083  
1 1 1 37 34 7  o 4.31653  0.0897793 18.6758      0.775069 17.8957      1.07588  19.5175      1.11754  4.22051  0.127458  4.40772  0.126771  
1 1 1 37 34 8  o 2.01134  0.160732  4.0767       0.646573 3.52684      0.893087 4.68235      0.9373   1.86215  0.239801  2.14874  0.218105  
1 1 1 37 34 9  o 5.10242  0.0885319 26.098       0.903453 24.3941      1.28393  27.769       1.27151  4.92602  0.130322  5.25766  0.12092   
1 1 1 37 34 10 o 8.40614  0.0987383 70.8868      1.66002  70.9606      2.21958  70.793       2.50071  8.39971  0.132123  8.38321  0.14915   
1 1 1 37 34 11 o 3.18145  0.119281  10.1716      0.758975 10.0779      1.02491  10.2852      1.12938  3.16007  0.162166  3.18962  0.17704   
1 1 1 37 34 12 o 6.14333  0.0939296 37.8604      1.15408  37.922       1.5807   37.7901      1.6889   6.13967  0.128728  6.1263   0.13784   
1 1 1 37 34 13 o 2.23468  0.149212  5.03349      0.66688  3.76322      0.933622 6.35675      0.952897 1.91951  0.243193  2.50495  0.190203  
1 1 1 37 34 14 o 4.51932  0.101356  20.5052      0.916121 20.1766      1.2646   20.8682      1.32898  4.4746   0.141309  4.54944  0.14606   
1 1 1 37 34 15 o 3.4956   0.127177  12.2983      0.88912  12.9798      1.33203  11.7507      1.19406  3.57783  0.186151  3.40689  0.175242  
1 1 1 37 34 16 o 1.12182  0.315124  1.35359      0.736037 0.613165     1.06261  2.03647      1.02049  0.953293 0.376998  1.36238  0.36647   
1 1 1 37 34 17 o 0.878578 0.318672  0.693581     0.72339  1.7667       1.05935  -0.244022    0.990203 1.27165  0.38422   0.748598 0.331833  
1 1 1 37 34 18 o 2.32767  0.14465   5.47946      0.673397 5.9745       0.895284 4.83452      1.02188  2.42189  0.184831  2.16624  0.235864  
1 1 1 37 34 19 o 2.66471  0.120231  7.1606       0.64076  6.61621      0.895971 7.73051      0.91673  2.54929  0.17573   2.7582   0.166183  
1 1 1 37 34 20 o 0.739021 0.287479  0.389247     0.610757 0.560589     0.865675 0.219429     0.861819 0.872685 0.341683  0.786564 0.328427  
1 1 1 37 34 21 o 0.758794 0.294733  0.422939     0.641477 0.607037     0.909688 0.240852     0.904704 0.894565 0.350258  0.804223 0.336195  
1 1 1 37 34 22 f 1.94938  0.18127   3.89385      0.706726 3.42775      0.973822 4.41248      1.02724  1.80275  0.270093  2.05295  0.250187  
1 1 1 37 34 23 f 1.41032  0.270782  2.16051      0.736527 2.36029      1.05551  1.97091      1.02824  1.43697  0.366139  1.31318  0.373619  
1 1 1 37 34 24 o 1.29627  0.30442   1.88099      0.776624 0.849105     1.20413  2.61598      1.01625  1.01032  0.400759  1.5154   0.343217  
1 1 1 37 34 25 o 1.91645  0.210564  3.84043      0.807072 4.83114      1.19882  3.0192       1.09147  2.11266  0.283722  1.61598  0.347676  
1 1 1 37 34 26 o 2.48561  0.168681  6.38945      0.83855  6.9395       1.21792  5.89368      1.15626  2.54866  0.238933  2.34386  0.246657  
1 1 1 37 34 27 o 1.25976  0.312918  1.85361      0.785853 1.17989      1.12416  2.4975       1.099    1.04026  0.393726  1.42378  0.379096  
1 1 1 37 34 28 o 1.14632  0.340148  1.60149      0.835329 1.5001       1.16737  1.70789      1.19581  1.10433  0.4044    1.15815  0.410742  
1 1 1 37 34 29 o 0.513689 0.250556  -1.2387      0.839529 -1.57609     1.21713  -0.932509    1.15951  0.619353 0.30202   0.661948 0.315987  
1 1 1 37 34 30 o 0.648569 0.297386  -0.250379    0.880621 -0.661202    1.18024  0.265576     1.32266  0.687022 0.324247  0.838962 0.377076  
1 1 1 37 34 31 o 1.48671  0.316113  2.84928      0.911738 3.25958      1.28261  2.43019      1.29629  1.45764  0.418106  1.22449  0.428302  
1 1 1 37 34 32 o 0.705438 0.321183  0.088598     1.00085  0.180885     1.4324   0.000561077  1.39902  0.795699 0.370449  0.770081 0.360875  
1 1 1 37 34 33 o 0.743867 0.334681  0.538782     1.04467  0.880599     1.49012  0.208403     1.46498  0.822523 0.380968  0.749681 0.357174  
1 1 1 37 34 34 o 1.44228  0.371883  3.42438      1.07931  2.39698      1.53299  4.43425      1.51985  0.991662 0.426879  1.41702  0.464774  
1 1 1 37 35 0  o 1.92503  0.175957  3.81321      0.664434 3.81321      0.664434 3.81321      0.664434 1.93931  0.122246  ?        ?         
1 1 1 37 35 1  o 0.802807 0.253125  0.649535     0.453268 1.1561       0.64516  0.155773     0.636955 1.04788  0.295248  0.690431 0.284931  
1 1 1 37 35 2  o 6.59185  0.0717996 43.5155      0.946584 45.0897      1.35519  42.0158      1.32274  6.70534  0.101053  6.47255  0.102181  
1 1 1 37 35 3  o 4.9261   0.081933  24.3127      0.80722  22.8223      1.12684  25.8839      1.15692  4.76789  0.118169  5.07834  0.113908  
1 1 1 37 35 4  o 1.77328  0.174137  3.17204      0.617587 3.66084      0.878332 2.69407      0.868551 1.89883  0.231282  1.62482  0.267277  
1 1 1 37 35 5  o 1.99626  0.164918  4.01695      0.658438 5.23598      0.97247  2.98504      0.894726 2.27306  0.213912  1.7107   0.261509  
1 1 1 37 35 6  o 2.4831   0.13387   6.19912      0.664825 6.78929      0.927776 5.57624      0.953145 2.59317  0.178889  2.34689  0.203066  
1 1 1 37 35 7  o 5.11829  0.0860751 26.2571      0.881114 26.2638      1.2476   26.2505      1.24458  5.11295  0.122004  5.11171  0.121738  
1 1 1 37 35 8  o 6.07545  0.0840586 36.9949      1.02139  37.0863      1.41659  36.8959      1.47404  6.07641  0.116565  6.0596   0.121628  
1 1 1 37 35 9  o 3.42261  0.107336  11.7599      0.734734 11.6127      1.02524  11.9154      1.05348  3.39451  0.151014  3.43809  0.153208  
1 1 1 37 35 10 o 3.81885  0.100801  14.637       0.769886 14.4933      1.06835  14.7923      1.11044  3.79341  0.140817  3.83153  0.144907  
1 1 1 37 35 11 o 4.10054  0.0989375 16.8735      0.811394 17.231       1.11956  16.4779      1.17761  4.13734  0.135299  4.04382  0.145606  
1 1 1 37 35 12 o 4.1566   0.0961563 17.3356      0.799367 16.3816      1.11753  18.3352      1.14388  4.0332   0.138542  4.26787  0.13401   
1 1 1 37 35 13 o 0.768173 0.301874  0.37911      0.677323 0.527971     0.939332 0.217883     0.97757  0.899194 0.354818  0.839358 0.350085  
1 1 1 37 35 14 o 3.38689  0.131648  11.5508      0.891753 11.164       1.32341  11.8725      1.20688  3.31461  0.199633  3.42418  0.17623   
1 1 1 37 35 15 o 2.6876   0.139382  7.28686      0.749205 6.2071       1.05276  8.39488      1.06645  2.46601  0.213453  2.87501  0.185468  
1 1 1 37 35 16 o 0.831164 0.312984  0.561145     0.707565 0.0325963    0.979851 1.13708      1.02283  0.795949 0.341921  1.07747  0.380101  
1 1 1 37 35 17 o 2.26426  0.173528  5.20984      0.785826 5.59272      1.11895  4.83723      1.10385  2.32893  0.240229  2.1617   0.25532   
1 1 1 37 35 18 o 1.9251   0.191583  3.78499      0.737634 2.63133      1.08736  4.76848      1.00397  1.53743  0.359663  2.14985  0.233498  
1 1 1 37 35 19 o 3.67774  0.106833  13.6206      0.785809 14.5544      1.07863  12.5644      1.14713  3.79134  0.14225   3.51577  0.16314   
1 1 1 37 35 20 o 1.3048   0.245947  1.82261      0.618321 2.38625      0.876344 1.26385      0.872545 1.47482  0.30722   1.08522  0.352133  
1 1 1 37 35 21 o 0.862622 0.305258  0.721893     0.660152 -0.0957755   0.901267 1.6684       0.969675 0.730706 0.320921  1.21835  0.367494  
1 1 1 37 35 22 o 1.53557  0.231277  2.45454      0.710284 2.17299      0.990494 2.7526       1.01911  1.3827   0.356095  1.56758  0.33487   
1 1 1 37 35 23 o 1.50595  0.243226  2.38511      0.732574 1.90819      1.06448  2.81423      1.00972  1.2836   0.384611  1.58019  0.330224  
1 1 1 37 35 24 o 2.34592  0.169439  5.65492      0.794981 4.64802      1.18151  6.48789      1.07462  2.07705  0.284419  2.49233  0.215587  
1 1 1 37 35 25 o 2.03439  0.204553  4.33719      0.832282 4.79626      1.12792  3.78845      1.23316  2.10492  0.267924  1.79954  0.355279  
1 1 1 37 35 26 o 0.970278 0.3455    1.02478      0.846862 0.842098     1.19732  1.20766      1.19797  0.977467 0.395069  1.05984  0.404888  
1 1 1 37 35 27 o 1.42156  0.304898  2.35837      0.841833 2.17127      1.18912  2.54636      1.19195  1.29787  0.410079  1.40855  0.402746  
1 1 1 37 35 28 o 0.758534 0.320338  0.335982     0.835161 -0.130982    1.21706  0.751566     1.14815  0.780931 0.355186  0.915447 0.380456  
1 1 1 37 35 29 o 0.829484 0.336092  0.635767     0.869547 1.05054      1.18679  0.155017     1.27769  0.969257 0.392677  0.825828 0.370913  
1 1 1 37 35 30 o 0.690135 0.307854  0.0803906    0.866932 1.32204      1.22471  -1.16661     1.22735  0.991496 0.400047  0.638749 0.309342  
1 1 1 37 35 31 o 0.867388 0.352182  0.921613     0.957432 0.475269     1.40844  1.30506      1.30544  0.84122  0.38247   0.962904 0.403271  
1 1 1 37 35 32 o 1.22822  0.376753  2.44037      1.01344  3.44849      1.45252  1.48413      1.41467  1.31545  0.45402   0.927121 0.404656  
1 1 1 37 35 33 o 0.537212 0.264583  -1.18462     1.01148  -2.42429     1.41803  0.0994698    1.4432   0.557865 0.280781  0.736116 0.351663  
1 1 1 37 35 34 o 0.596616 0.287857  -0.227555    1.02872  -0.334242    1.45618  -0.121263    1.45348  0.643522 0.316934  0.658159 0.323068  
1 1 1 37 36 0  o 0.326794 0.234684  -0.864269    0.652442 -0.864269    0.652442 -0.864269    0.652442 0.247006 0.18025   ?        ?         
1 1 1 37 36 1  o 1.70601  0.134655  2.92634      0.459448 3.16762      0.658432 2.69736      0.641417 1.77064  0.185931  1.63296  0.196397  
1 1 1 37 36 2  o 2.21954  0.100207  4.94132      0.444825 5.25705      0.641975 4.64973      0.616928 2.28603  0.140413  2.14965  0.143495  
1 1 1 37 36 3  o 2.82595  0.10085   8.01087      0.569997 8.18223      0.87186  7.88295      0.753274 2.85027  0.152944  2.79991  0.134517  
1 1 1 37 36 4  o 0.59777  0.264973  -0.202947    0.631359 -0.987132    0.870129 0.668959     0.917507 0.588328 0.277908  0.934404 0.355103  
1 1 1 37 36 5  o 1.9561   0.168993  3.86099      0.661132 4.00203      0.940659 3.7233       0.929407 1.9827   0.237217  1.91156  0.243102  
1 1 1 37 36 6  f 3.11986  0.112     9.77341      0.698852 10.3274      0.970754 9.17741      1.00689  3.20147  0.151611  3.01555  0.16695   
1 1 1 37 36 7  o 0.999162 0.294019  1.04625      0.626405 1.31842      0.882703 0.770137     0.889073 1.12526  0.352926  0.953524 0.352456  
1 1 1 37 36 8  o 4.83876  0.0948231 23.4888      0.917653 22.4793      1.33611  24.3902      1.26253  4.7243   0.141408  4.92413  0.128198  
1 1 1 37 36 9  o 2.54926  0.132995  6.5401       0.678076 6.57661      0.949784 6.50215      0.968376 2.54851  0.186341  2.53322  0.191135  
1 1 1 37 36 10 o 1.92008  0.170867  3.72517      0.656155 3.70661      0.91917  3.74445      0.936973 1.90534  0.241209  1.91447  0.244709  
1 1 1 37 36 11 o 2.93712  0.124094  8.67661      0.728956 8.55466      1.0017   8.81388      1.0628   2.90859  0.172198  2.9508   0.180088  
1 1 1 37 36 12 o 3.81149  0.109415  14.5964      0.834072 12.9286      1.17318  16.3009      1.18603  3.57659  0.164009  4.02011  0.147513  
1 1 1 37 36 13 o 3.20084  0.130037  10.3152      0.832456 9.54665      1.18344  11.068       1.1712   3.06658  0.192958  3.30578  0.177144  
1 1 1 37 36 14 o 3.46421  0.121318  12.083       0.840541 11.9121      1.21202  12.2415      1.16668  3.42655  0.176857  3.47608  0.167816  
1 1 1 37 36 15 o 4.68995  0.0960573 22.0979      0.901008 22.9354      1.26537  21.2365      1.28326  4.76804  0.132693  4.5858   0.139916  
1 1 1 37 36 16 o 3.51463  0.127165  12.4601      0.893877 14.6021      1.31108  10.5996      1.2219   3.7908   0.172929  3.22461  0.189464  
1 1 1 37 36 17 o 1.23828  0.321031  1.68423      0.801497 1.69441      1.07387  1.67144      1.20428  1.24252  0.389185  1.2445   0.413719  
1 1 1 37 36 18 o 0.813493 0.315139  0.493653     0.732363 0.561645     1.03164  0.424575     1.03984  0.921873 0.369143  0.89296  0.365528  
1 1 1 37 36 19 o 2.41061  0.124101  5.86999      0.598318 5.37199      0.835639 6.39385      0.857067 2.29271  0.182238  2.50447  0.171107  
1 1 1 37 36 20 o 0.680604 0.282619  0.173812     0.632738 0.517806     0.898437 -0.164708    0.891259 0.865879 0.345318  0.713822 0.31582   
1 1 1 37 36 21 o 0.590549 0.268339  -0.340272    0.691022 -0.970784    0.97236  0.303092     0.982219 0.624151 0.294497  0.84014  0.350696  
1 1 1 37 36 22 o 0.759459 0.302727  0.384901     0.690165 -1.05077     1.01251  1.63087      0.943247 0.628984 0.298371  1.19901  0.362611  
1 1 1 37 36 23 o 0.543948 0.254635  -0.588147    0.689805 -0.280497    0.972982 -0.899043    0.9781   0.71877  0.323213  0.631139 0.297081  
1 1 1 37 36 24 o 0.549162 0.260387  -0.796595    0.770342 -1.87468     1.07345  0.348174     1.10615  0.5651   0.277469  0.867291 0.367582  
1 1 1 37 36 25 o 0.575793 0.270306  -0.671349    0.797679 -2.28897     1.09112  1.18569      1.16909  0.536615 0.266388  1.0542   0.400779  
1 1 1 37 36 26 o 1.42678  0.300882  2.34968      0.831792 2.11791      1.19354  2.56855      1.15985  1.29105  0.411138  1.43033  0.393371  
1 1 1 37 36 27 o 1.33206  0.328336  2.15033      0.87028  1.90383      1.2568   2.3774       1.20628  1.2013   0.421581  1.3379   0.411168  
1 1 1 37 36 28 o 0.979177 0.351237  1.16088      0.876643 1.5631       1.27668  0.80205      1.20587  1.09383  0.417948  0.9266   0.387797  
1 1 1 37 36 29 o 2.21861  0.199056  5.35135      0.883259 4.53761      1.23027  6.21694      1.26886  1.92477  0.319589  2.3089   0.274776  
1 1 1 37 36 30 o 0.755331 0.327276  0.416955     0.912331 -1.37108     1.27168  2.31327      1.30962  0.625362 0.305696  1.18877  0.429013  
1 1 1 37 36 31 o 1.2338   0.380398  2.32797      1.03137  2.58093      1.42299  2.04803      1.49697  1.18956  0.444658  1.06809  0.438122  
1 1 1 37 36 32 o 0.646979 0.303971  -0.105282    1.01475  0.390403     1.44084  -0.593112    1.42938  0.764935 0.360209  0.675203 0.328903  
1 1 1 37 36 33 o 1.07765  0.381025  2.14108      1.02833  2.96743      1.45146  1.30828      1.45712  1.11968  0.441302  0.848091 0.386508  
1 1 1 37 37 0  o 8.54877  0.160292  73.4624      2.73843  73.4624      2.73843  73.4624      2.73843  8.55978  0.113153  ?        ?         
1 1 1 37 37 1  o 0.8681   0.378374  1.09848      0.676591 1.09848      0.676591 1.09848      0.676591 0.930873 0.293364  ?        ?         
1 1 1 37 37 2  o 0.625461 0.342076  0.568276     0.601721 0.568276     0.601721 0.568276     0.601721 0.616287 0.29833   ?        ?         
1 1 1 37 37 3  o 4.76041  0.114728  22.7505      1.09087  22.7505      1.09087  22.7505      1.09087  4.76506  0.0809918 ?        ?         
1 1 1 37 37 4  o 3.21375  0.160597  10.4503      1.02636  10.4503      1.02636  10.4503      1.02636  3.22326  0.112893  ?        ?         
1 1 1 37 37 5  o 2.4398   0.205438  6.12097      0.986101 6.12097      0.986101 6.12097      0.986101 2.45731  0.142987  ?        ?         
1 1 1 37 37 6  o 1.31785  0.39816   2.18846      0.913553 2.18846      0.913553 2.18846      0.913553 1.40951  0.253766  ?        ?         
1 1 1 37 37 7  o 7.26452  0.125814  52.9707      1.82673  52.9707      1.82673  52.9707      1.82673  7.27128  0.0888513 ?        ?         
1 1 1 37 37 8  o 0.775178 0.424294  0.887732     0.926314 0.887732     0.926314 0.887732     0.926314 0.767057 0.370277  ?        ?         
1 1 1 37 37 9  o 6.22888  0.135531  38.9853      1.6866   38.9853      1.6866   38.9853      1.6866   6.23632  0.0956687 ?        ?         
1 1 1 37 37 10 o 0.928815 0.451698  1.32091      0.976496 1.32091      0.976496 1.32091      0.976496 0.975624 0.375449  ?        ?         
1 1 1 37 37 11 o 2.26277  0.23275   5.33353      1.02779  5.33353      1.02779  5.33353      1.02779  2.2869   0.160719  ?        ?         
1 1 1 37 37 12 f 0.981795 0.465454  1.47416      1.0304   1.47416      1.0304   1.47416      1.0304   1.04166  0.380619  ?        ?         
1 1 1 37 37 13 o 1.18964  0.450372  1.97658      1.00091  1.97658      1.00091  1.97658      1.00091  1.2943   0.315903  ?        ?         
1 1 1 37 37 14 o 0.419734 0.297716  -0.993354    0.962664 -0.993354    0.962664 -0.993354    0.962664 0.323267 0.233394  ?        ?         
1 1 1 37 37 15 o 2.67246  0.208277  7.35315      1.09768  7.35315      1.09768  7.35315      1.09768  2.69242  0.145103  ?        ?         
1 1 1 37 37 16 o 1.38013  0.478745  2.58847      1.19028  2.58847      1.19028  2.58847      1.19028  1.50181  0.318869  ?        ?         
1 1 1 37 37 17 o 1.0744   0.470722  1.74088      1.04716  1.74088      1.04716  1.74088      1.04716  1.16474  0.363568  ?        ?         
1 1 1 37 37 18 o 0.651419 0.40456   0.410837     1.02751  0.410837     1.02751  0.410837     1.02751  0.586863 0.352378  ?        ?         
1 1 1 37 37 19 f 0.686584 0.419541  0.539602     1.0703   0.539602     1.0703   0.539602     1.0703   0.630666 0.368073  ?        ?         
1 1 1 37 37 20 o 0.956876 0.443426  1.42235      0.931735 1.42235      0.931735 1.42235      0.931735 1.02958  0.355725  ?        ?         
1 1 1 37 37 21 o 2.74798  0.197704  7.78435      1.07365  7.78435      1.07365  7.78435      1.07365  2.76936  0.137848  ?        ?         
1 1 1 37 37 22 o 1.54121  0.352694  2.81504      0.945534 2.81504      0.945534 2.81504      0.945534 1.62178  0.214508  ?        ?         
1 1 1 37 37 23 o 0.583168 0.378022  0.141426     1.01289  0.141426     1.01289  0.141426     1.01289  0.50604  0.324399  ?        ?         
1 1 1 37 37 24 o 0.906562 0.489755  1.40059      1.22123  1.40059      1.22123  1.40059      1.22123  0.941462 0.427397  ?        ?         
1 1 1 37 37 25 o 0.58407  0.388241  -0.0120532   1.156    -0.0120532   1.156    -0.0120532   1.156    0.498869 0.329652  ?        ?         
1 1 1 37 37 26 o 0.817455 0.473529  1.13416      1.2376   1.13416      1.2376   1.13416      1.2376   0.819845 0.422075  ?        ?         
1 1 1 37 37 27 o 1.558    0.481254  3.41771      1.30901  3.41771      1.30901  3.41771      1.30901  1.72522  0.293868  ?        ?         
1 1 1 37 37 28 o 1.12552  0.503417  2.18595      1.19768  2.18595      1.19768  2.18595      1.19768  1.27574  0.381719  ?        ?         
1 1 1 37 37 29 o 0.85609  0.48512   1.47814      1.26451  1.47814      1.26451  1.47814      1.26451  0.913738 0.433544  ?        ?         
1 1 1 37 37 30 o 0.755698 0.463683  1.11594      1.31841  1.11594      1.31841  1.11594      1.31841  0.763916 0.422913  ?        ?         
1 1 1 37 37 31 o 1.1561   0.559112  2.99687      1.49412  2.99687      1.49412  2.99687      1.49412  1.41853  0.427867  ?        ?         
1 1 1 37 37 32 o 0.713139 0.458981  1.14648      1.45378  1.14648      1.45378  1.14648      1.45378  0.725398 0.426481  ?        ?         
1 1 1 37 37 33 o 0.541887 0.379666  0.0997666    1.45933  0.0997666    1.45933  0.0997666    1.45933  0.492254 0.338567  ?        ?         
1 1 1 38 0  0  o 7.7421   0.145292  60.0143      2.24794  60.0143      2.24794  60.0143      2.24794  7.74449  0.102664  ?        ?         
1 1 1 38 0  1  o 12.7552  0.134829  162.775      3.43868  162.775      3.43868  162.775      3.43868  12.7567  0.095315  ?        ?         
1 1 1 38 0  2  o 12.1013  0.126882  146.51       3.07012  146.51       3.07012  146.51       3.07012  12.1027  0.0896977 ?        ?         
1 1 1 38 0  3  o 20.9236  0.207188  438.093      8.66833  438.093      8.66833  438.093      8.66833  20.9271  0.146463  ?        ?         
1 1 1 38 0  4  o 2.18515  0.136755  4.83158      0.592297 4.83158      0.592297 4.83158      0.592297 2.19171  0.0959644 ?        ?         
1 1 1 38 0  5  o 4.06359  0.0988251 16.5436      0.802096 16.5436      0.802096 16.5436      0.802096 4.06549  0.0698003 ?        ?         
1 1 1 38 0  6  o 5.73256  0.0847486 32.8861      0.971174 32.8861      0.971174 32.8861      0.971174 5.7336   0.0599006 ?        ?         
1 1 1 38 0  7  o 2.53783  0.127106  6.49001      0.641454 6.49001      0.641454 6.49001      0.641454 2.54274  0.0894415 ?        ?         
1 1 1 38 0  8  o 10.9677  0.114224  120.346      2.50494  120.346      2.50494  120.346      2.50494  10.9689  0.0807495 ?        ?         
1 1 1 38 0  9  o 28.9438  0.285593  838.727      16.5287  838.727      16.5287  838.727      16.5287  28.9522  0.201864  ?        ?         
1 1 1 38 0  10 o 8.9842   0.126651  80.7786      2.2747   80.7786      2.2747   80.7786      2.2747   8.98594  0.0895185 ?        ?         
1 1 1 38 0  11 o 2.35472  0.189111  5.65363      0.877392 5.65363      0.877392 5.65363      0.877392 2.3665   0.132021  ?        ?         
1 1 1 38 0  12 o 5.03186  0.116009  25.3645      1.16608  25.3645      1.16608  25.3645      1.16608  5.03409  0.0819449 ?        ?         
1 1 1 38 0  13 o 0.998939 0.434843  1.4321       0.893613 1.4321       0.893613 1.4321       0.893613 1.06562  0.33802   ?        ?         
1 1 1 38 0  14 o 17.7687  0.201766  316.057      7.16818  316.057      7.16818  316.057      7.16818  17.7734  0.142612  ?        ?         
1 1 1 38 0  15 o 5.8635   0.109019  34.4241      1.27746  34.4241      1.27746  34.4241      1.27746  5.86535  0.0770333 ?        ?         
1 1 1 38 0  16 o 3.13191  0.160679  9.89181      1.00042  9.89181      1.00042  9.89181      1.00042  3.13857  0.113027  ?        ?         
1 1 1 38 0  17 o 17.4842  0.180591  306.059      6.31347  306.059      6.31347  306.059      6.31347  17.4894  0.127644  ?        ?         
1 1 1 38 0  18 o 0.548888 0.366229  -0.253089    1.05171  -0.253089    1.05171  -0.253089    1.05171  0.448518 0.301639  ?        ?         
1 1 1 38 0  19 o 3.37382  0.164375  11.4743      1.10314  11.4743      1.10314  11.4743      1.10314  3.38064  0.115675  ?        ?         
1 1 1 38 0  20 o 8.61953  0.115102  74.3785      1.98345  74.3785      1.98345  74.3785      1.98345  8.62191  0.0813505 ?        ?         
1 1 1 38 0  21 o 6.80923  0.11399   46.4365      1.55139  46.4365      1.55139  46.4365      1.55139  6.81184  0.080547  ?        ?         
1 1 1 38 0  22 o 6.55798  0.112267  43.0776      1.47151  43.0776      1.47151  43.0776      1.47151  6.56066  0.0793258 ?        ?         
1 1 1 38 0  23 o 4.96246  0.124228  24.6992      1.23121  24.6992      1.23121  24.6992      1.23121  4.96615  0.0877147 ?        ?         
1 1 1 38 0  24 o 3.63985  0.15061   13.3409      1.09213  13.3409      1.09213  13.3409      1.09213  3.64621  0.106101  ?        ?         
1 1 1 38 0  25 o 4.01637  0.159483  16.2466      1.2765   16.2466      1.2765   16.2466      1.2765   4.02358  0.112365  ?        ?         
1 1 1 38 0  26 o 2.89157  0.197547  8.51215      1.1302   8.51215      1.1302   8.51215      1.1302   2.90479  0.138275  ?        ?         
1 1 1 38 0  27 o 2.51282  0.22567   6.50569      1.1131   6.50569      1.1131   6.50569      1.1131   2.53227  0.156788  ?        ?         
1 1 1 38 0  28 o 1.77107  0.406193  3.6474       1.25115  3.6474       1.25115  3.6474       1.25115  1.85378  0.248572  ?        ?         
1 1 1 38 0  29 o 6.07927  0.144092  37.1525      1.74972  37.1525      1.74972  37.1525      1.74972  6.08725  0.10169   ?        ?         
1 1 1 38 0  30 o 4.50992  0.164484  20.5212      1.47914  20.5212      1.47914  20.5212      1.47914  4.51998  0.115871  ?        ?         
1 1 1 38 0  31 o 0.599412 0.39677   -0.121313    1.19087  -0.121313    1.19087  -0.121313    1.19087  0.500183 0.332053  ?        ?         
1 1 1 38 0  32 o 3.10983  0.198914  9.88487      1.22557  9.88487      1.22557  9.88487      1.22557  3.12714  0.13919   ?        ?         
1 1 1 38 0  33 o 3.44347  0.195554  12.1035      1.33684  12.1035      1.33684  12.1035      1.33684  3.46141  0.137034  ?        ?         
1 1 1 38 0  34 o 0.609123 0.403149  -0.0719957   1.22898  -0.0719957   1.22898  -0.0719957   1.22898  0.513154 0.339396  ?        ?         
1 1 1 38 0  35 o 0.753795 0.458186  0.701774     1.26175  0.701774     1.26175  0.701774     1.26175  0.69943  0.403421  ?        ?         
1 1 1 38 0  36 o 0.935496 0.507375  1.43846      1.31487  1.43846      1.31487  1.43846      1.31487  0.958435 0.443019  ?        ?         
1 1 1 38 0  37 o 3.66585  0.204308  13.8727      1.48729  13.8727      1.48729  13.8727      1.48729  3.69543  0.142778  ?        ?         
1 1 1 38 0  38 o 0.530506 0.369811  -0.821541    1.34968  -0.821541    1.34968  -0.821541    1.34968  0.426117 0.3009    ?        ?         
1 1 1 38 0  39 o 0.569501 0.391153  -0.406781    1.36718  -0.406781    1.36718  -0.406781    1.36718  0.473206 0.32618   ?        ?         
1 1 1 38 0  40 o 3.49963  0.235117  13.0593      1.6286   13.0593      1.6286   13.0593      1.6286   3.55753  0.162626  ?        ?         
1 1 1 38 0  41 o 0.771028 0.484388  1.12512      1.5215   1.12512      1.5215   1.12512      1.5215   0.764889 0.442209  ?        ?         
1 1 1 38 0  42 o 0.831789 0.518653  1.74763      1.70413  1.74763      1.70413  1.74763      1.70413  0.891709 0.485113  ?        ?         
1 1 1 38 0  43 f 0.5887   0.412435  -0.0843315   1.72148  -0.0843315   1.72148  -0.0843315   1.72148  0.524628 0.363074  ?        ?         
1 1 1 38 1  0  o 10.9828  0.119479  120.68       2.62373  120.68       2.62373  120.68       2.62373  10.9841  0.0844629 ?        ?         
1 1 1 38 1  1  o 23.9762  0.173199  575.172      8.30529  575.324      11.8974  575.028      11.5992  23.9723  0.248149  23.9668  0.241984  
1 1 1 38 1  2  o 14.505   0.107162  210.439      3.10876  210.002      4.39549  210.875      4.39742  14.4884  0.151691  14.5184  0.151443  
1 1 1 38 1  3  o 10.6757  0.0801437 113.984      1.71117  114.29       2.4525   113.693      2.38869  10.6893  0.114717  10.6614  0.112025  
1 1 1 38 1  4  o 16.6072  0.118162  275.873      3.92466  277.413      5.57631  274.362      5.52467  16.6511  0.167446  16.5593  0.166814  
1 1 1 38 1  5  o 1.22777  0.175613  1.50836      0.431223 2.04402      0.609526 0.971579     0.610158 1.42903  0.213265  0.979102 0.290747  
1 1 1 38 1  6  o 7.74235  0.0688927 59.9499      1.06678  59.5413      1.48923  60.3806      1.52886  7.71556  0.0965086 7.76972  0.0983861 
1 1 1 38 1  7  o 10.4972  0.0798447 110.207      1.6763   112.224      2.3562   108.139      2.38535  10.5922  0.111223  10.3975  0.114708  
1 1 1 38 1  8  f 14.3033  0.106152  204.634      3.03666  204.707      4.25174  204.557      4.33854  14.3042  0.148619  14.2988  0.15171   
1 1 1 38 1  9  o 21.9442  0.158038  481.817      6.93604  485.71       9.88027  478.034      9.73933  22.0264  0.224282  21.8518  0.222849  
1 1 1 38 1  10 o 5.3321   0.0821075 28.4358      0.875611 31.1894      1.39971  26.6655      1.12233  5.58369  0.125339  5.16314  0.108687  
1 1 1 38 1  11 o 16.0104  0.123842  256.433      3.9655   256.532      5.68588  256.338      5.53337  16.0101  0.177571  16.0044  0.17287   
1 1 1 38 1  12 o 13.1113  0.101757  171.956      2.66833  169.715      3.72788  174.31       3.82102  13.0238  0.143118  13.1988  0.144749  
1 1 1 38 1  13 o 16.6757  0.127698  278.217      4.2589   274.139      6.11386  282.061      5.93606  16.5485  0.184725  16.7867  0.176809  
1 1 1 38 1  14 o 11.4305  0.102475  130.705      2.34268  132.803      3.18071  128.217      3.46341  11.5202  0.138049  11.3187  0.152995  
1 1 1 38 1  15 o 9.25845  0.0840426 85.744       1.55621  84.6053      2.1938   86.8973      2.20789  9.19538  0.119288  9.31914  0.11846   
1 1 1 38 1  16 o 1.28686  0.263105  1.7224       0.653771 1.02104      0.919299 2.44008      0.929936 1.05455  0.361464  1.53045  0.314603  
1 1 1 38 1  17 o 9.14375  0.0860642 83.6425      1.5739   82.1191      2.30867  84.9652      2.15131  9.0579   0.127439  9.21419  0.116739  
1 1 1 38 1  18 o 11.1657  0.0961175 124.747      2.14645  125.6        2.91241  123.732      3.17572  11.2011  0.130006  11.1162  0.142842  
1 1 1 38 1  19 o 7.63719  0.0822535 58.3562      1.25637  60.0206      1.77593  56.6886      1.77762  7.74345  0.114673  7.52522  0.118111  
1 1 1 38 1  20 o 6.40491  0.0782126 41.0461      1.00189  41.7228      1.42371  40.3821      1.41016  6.45569  0.110268  6.35107  0.111017  
1 1 1 38 1  21 o 7.984    0.0809093 63.7899      1.29196  62.7855      1.81532  64.8209      1.83913  7.91805  0.114632  8.0454   0.114297  
1 1 1 38 1  22 o 3.0292   0.118985  9.19255      0.720861 8.87342      0.983961 9.56227      1.05908  2.97366  0.165446  3.08652  0.171566  
1 1 1 38 1  23 o 1.74843  0.191657  3.07345      0.670195 3.35434      0.943614 2.78752      0.95204  1.82249  0.258881  1.6332   0.302827  
1 1 1 38 1  24 o 4.35689  0.0935545 19.011       0.815213 18.6213      1.16877  19.3802      1.13763  4.3084   0.135638  4.39594  0.129396  
1 1 1 38 1  25 o 3.06713  0.126534  9.43728      0.776195 8.56258      1.07022  10.408       1.12743  2.91647  0.183478  3.21636  0.175265  
1 1 1 38 1  26 o 3.61863  0.112746  13.1318      0.815974 13.3765      1.15951  12.8917      1.14849  3.64713  0.158962  3.58025  0.160392  
1 1 1 38 1  27 f 1.70671  0.238357  2.95751      0.813616 0.148839     1.12624  6.02337      1.17667  0.885005 0.372786  2.43531  0.241585  
1 1 1 38 1  28 o 3.86352  0.12573   14.9991      0.971523 14.3955      1.39628  15.5656      1.35264  3.77436  0.184969  3.92748  0.172202  
1 1 1 38 1  29 o 0.736924 0.31369   0.0431367    0.811611 -0.328027    1.16716  0.390645     1.12936  0.80959  0.35939   0.929433 0.380777  
1 1 1 38 1  30 o 4.16084  0.128326  17.4213      1.06789  15.9362      1.48473  19.0129      1.53707  3.96552  0.187205  4.33438  0.177311  
1 1 1 38 1  31 o 1.94554  0.22136   3.86692      0.861329 3.42907      1.22076  4.30098      1.21547  1.77513  0.3564    2.03407  0.298777  
1 1 1 38 1  32 o 3.47058  0.128011  12.1491      0.888542 12.4359      1.26217  11.8673      1.25108  3.49644  0.180493  3.41471  0.18319   
1 1 1 38 1  33 o 1.11215  0.344543  1.33748      0.844735 2.55853      1.20096  0.141832     1.18841  1.50273  0.394552  0.883031 0.377846  
1 1 1 38 1  34 o 1.15206  0.347082  1.46684      0.865292 0.995969     1.22289  1.93897      1.22453  1.06186  0.408084  1.3086   0.416412  
1 1 1 38 1  35 o 2.11899  0.216794  4.65172      0.918768 5.83762      1.30776  3.4959       1.29107  2.34729  0.278568  1.74788  0.379945  
1 1 1 38 1  36 o 2.49468  0.191627  6.42544      0.956097 6.34524      1.34908  6.50637      1.35519  2.43758  0.276725  2.46967  0.274367  
1 1 1 38 1  37 o 2.02506  0.240633  4.37525      0.974589 3.6722       1.37557  5.08388      1.381    1.73298  0.403959  2.12882  0.324359  
1 1 1 38 1  38 o 0.718184 0.318082  -0.0523567   0.907264 -0.598483    1.30844  0.453369     1.25911  0.766876 0.355882  0.908243 0.388789  
1 1 1 38 1  39 o 0.707697 0.321612  -0.198093    0.993348 2.14499      1.40903  -2.51331     1.40062  1.24131  0.445292  0.610695 0.302978  
1 1 1 38 1  40 o 0.944797 0.368499  1.04892      1.0049   0.497363     1.35867  1.71502      1.49311  0.885367 0.391055  1.10833  0.443975  
1 1 1 38 1  41 o 1.26735  0.407455  2.49266      1.17021  2.84649      1.64967  2.1343       1.66022  1.23693  0.474376  1.1044   0.458149  
1 1 1 38 1  42 o 0.52629  0.263145  -2.08546     1.1747   -2.75077     1.70055  -1.47826     1.6246   0.609026 0.306726  0.661378 0.327679  
1 1 1 38 1  43 o 1.10088  0.414702  2.45377      1.24243  2.83425      1.77399  2.08747      1.74061  1.03847  0.453202  0.945663 0.428377  
1 1 1 38 2  0  f 4.53493  0.0905682 20.5918      0.820703 20.5918      0.820703 20.5918      0.820703 4.53638  0.0639921 ?        ?         
1 1 1 38 2  1  o 26.992   0.192135  729.088      10.3722  729.316      15.039   728.881      14.3242  26.9854  0.278651  26.9793  0.265466  
1 1 1 38 2  2  o 9.05753  0.0717278 82.0471      1.29935  83.2121      1.88206  80.9862      1.79608  9.12111  0.103171  8.99835  0.0998004 
1 1 1 38 2  3  o 7.64433  0.0679477 58.4412      1.03883  56.3377      1.43349  60.7677      1.50756  7.50515  0.0955002 7.79463  0.0967053 
1 1 1 38 2  4  o 15.0551  0.110706  226.713      3.33338  227.011      4.72192  226.416      4.70635  15.0631  0.156738  15.0434  0.156426  
1 1 1 38 2  5  o 1.06569  0.215861  1.17809      0.444023 0.493508     0.626628 1.86844      0.629267 0.799327 0.295809  1.34521  0.242771  
1 1 1 38 2  6  o 23.5729  0.168827  556.015      7.95949  554.353      10.9667  557.865      11.5704  23.5312  0.233024  23.6042  0.245093  
1 1 1 38 2  7  o 14.4931  0.10572   210.099      3.06442  211.282      4.35048  208.935      4.3172   14.532   0.149686  14.4511  0.149373  
1 1 1 38 2  8  o 3.9728   0.0742681 15.785       0.590104 15.3093      0.848325 16.2311      0.821394 3.9122   0.108421  4.02832  0.101952  
1 1 1 38 2  9  o 20.2252  0.152043  409.28       6.15023  408.468      8.57964  410.137      8.82084  20.1999  0.212368  20.2406  0.2179    
1 1 1 38 2  10 o 3.04277  0.094027  9.2605       0.572205 9.81209      0.820537 8.73833      0.79836  3.13175  0.131003  2.95539  0.135068  
1 1 1 38 2  11 o 11.2278  0.0893587 126.089      2.00659  124.138      2.84673  128.016      2.82886  11.1393  0.127779  11.312   0.125038  
1 1 1 38 2  12 o 8.54008  0.0798446 72.9465      1.36376  73.4481      1.9833   72.4967      1.87828  8.56851  0.115732  8.51299  0.110318  
1 1 1 38 2  13 o 6.03445  0.0792985 36.4219      0.957046 36.9931      1.38625  35.9018      1.32291  6.08093  0.113983  5.99064  0.110415  
1 1 1 38 2  14 o 6.06419  0.0782449 36.7828      0.948983 37.5377      1.40092  36.1426      1.29006  6.12531  0.114355  6.01057  0.107316  
1 1 1 38 2  15 o 7.77819  0.0839682 60.5192      1.30624  60.7492      1.92173  60.3216      1.78091  7.79151  0.123322  7.7644   0.114684  
1 1 1 38 2  16 o 4.06837  0.0918145 16.5588      0.747071 16.8128      1.0937   16.3366      1.02289  4.09848  0.133427  4.04021  0.126589  
1 1 1 38 2  17 o 10.4428  0.090919  109.104      1.89889  108.297      2.6345   109.976      2.73946  10.4017  0.126637  10.4817  0.130678  
1 1 1 38 2  18 o 7.79894  0.0846758 60.8527      1.32076  60.3767      1.79047  61.4208      1.9562   7.76675  0.115265  7.83301  0.124869  
1 1 1 38 2  19 o 12.9474  0.102735  167.775      2.6603   169.737      3.78924  165.867      3.73579  13.0173  0.145547  12.8681  0.145157  
1 1 1 38 2  20 o 4.93135  0.0825926 24.3349      0.814586 25.3991      1.16102  23.3031      1.14319  5.03642  0.115262  4.82396  0.118491  
1 1 1 38 2  21 o 8.25384  0.0835237 68.1796      1.37878  69.1132      1.94507  67.2367      1.95475  8.30698  0.117074  8.19319  0.119291  
1 1 1 38 2  22 o 2.29923  0.146652  5.30166      0.67437  4.18986      0.924269 6.56731      0.986142 2.03991  0.226546  2.55631  0.192884  
1 1 1 38 2  23 o 2.66566  0.130516  7.12411      0.695824 8.50794      0.980607 5.7207       0.987516 2.91051  0.16846   2.38397  0.207116  
1 1 1 38 2  24 o 3.3829   0.111789  11.4696      0.756345 11.4366      1.10264  11.499       1.03943  3.37371  0.163416  3.38385  0.153586  
1 1 1 38 2  25 f 2.71312  0.139953  7.39041      0.759419 6.72653      1.06458  8.07827      1.08363  2.58245  0.206119  2.83173  0.191337  
1 1 1 38 2  26 o 4.42774  0.102114  19.6525      0.904265 20.3495      1.27652  18.9505      1.28114  4.50052  0.141819  4.34224  0.14752   
1 1 1 38 2  27 f 2.7454   0.151232  7.58534      0.830382 7.86174      1.17235  7.30706      1.17634  2.78686  0.210335  2.68538  0.219026  
1 1 1 38 2  28 o 5.56556  0.104049  31.0813      1.15819  30.8318      1.68941  31.3025      1.59088  5.53214  0.15269   5.57683  0.142633  
1 1 1 38 2  29 o 5.53638  0.103676  30.7701      1.14797  30.0592      1.6301   31.4695      1.61694  5.46063  0.14926   5.58861  0.144664  
1 1 1 38 2  30 o 3.43774  0.141175  11.911       0.970646 11.9472      1.29775  11.8652      1.46234  3.43234  0.189047  3.41381  0.214181  
1 1 1 38 2  31 o 1.96428  0.218385  3.94616      0.857938 4.21416      1.2025   3.66829      1.22441  2.01059  0.299041  1.83814  0.345759  
1 1 1 38 2  32 o 1.75501  0.236183  3.1745       0.829007 3.63012      1.21155  2.77338      1.1368   1.82136  0.345123  1.57939  0.366627  
1 1 1 38 2  33 o 0.881022 0.336785  0.626054     0.829286 0.67389      1.16716  0.577285     1.17849  0.983354 0.393107  0.964855 0.391134  
1 1 1 38 2  34 o 2.38     0.188203  5.81061      0.895847 5.16072      1.24823  6.50092      1.28647  2.20858  0.282587  2.49006  0.258321  
1 1 1 38 2  35 o 1.48507  0.312025  2.44577      0.897345 2.47376      1.27147  2.418        1.26662  1.45335  0.416094  1.43774  0.416503  
1 1 1 38 2  36 o 0.613252 0.287807  -0.784988    0.901909 -0.0781926   1.27442  -1.49416     1.27656  0.852206 0.377273  0.678781 0.325816  
1 1 1 38 2  37 o 0.575082 0.27686   -1.17512     0.938891 -0.334356    1.31328  -2.05409     1.34279  0.810431 0.368698  0.642731 0.314173  
1 1 1 38 2  38 o 1.35355  0.341313  2.20162      0.924393 2.40446      1.33922  2.01703      1.27754  1.35386  0.43595   1.25471  0.426116  
1 1 1 38 2  39 o 0.588468 0.284323  -1.17383     1.01387  -0.741818    1.39911  -1.65155     1.47127  0.751511 0.354199  0.688973 0.335185  
1 1 1 38 2  40 o 0.655503 0.305596  -0.412536    0.978997 -1.51517     1.33654  0.863963     1.43805  0.648477 0.31627   0.943171 0.409809  
1 1 1 38 2  41 o 0.851424 0.368002  0.748633     1.14813  0.0759276    1.60781  1.4486       1.64007  0.823077 0.385918  0.993761 0.434705  
1 1 1 38 2  42 o 1.21627  0.421547  2.79043      1.25329  2.53124      1.76655  3.0531       1.77835  1.03919  0.452894  1.11485  0.468966  
1 1 1 38 2  43 o 0.666661 0.318826  -0.120774    1.19443  0.533901     1.68351  -0.78435     1.69492  0.77577  0.372805  0.683854 0.337814  
1 1 1 38 3  0  o 5.98091  0.0955159 35.802       1.14189  35.802       1.14189  35.802       1.14189  5.98219  0.067506  ?        ?         
1 1 1 38 3  1  o 4.93058  0.0634271 24.3126      0.625465 24.3477      0.882654 24.2771      0.88644  4.93394  0.0894471 4.92678  0.0899614 
1 1 1 38 3  2  o 23.1456  0.163571  536.009      7.57188  537.986      10.6167  533.963      10.8022  23.1821  0.228984  23.0947  0.233868  
1 1 1 38 3  3  o 22.5906  0.161723  510.608      7.30682  506.299      10.2518  515.057      10.417   22.489   0.227929  22.6825  0.229625  
1 1 1 38 3  4  o 8.51263  0.0703946 72.4724      1.19849  74.1606      1.77066  71.0451      1.62813  8.6107   0.102817  8.428    0.0965904 
1 1 1 38 3  5  o 9.18361  0.0759299 84.349       1.39462  84.2572      2.02017  84.4326      1.92766  9.17799  0.110055  9.18765  0.104905  
1 1 1 38 3  6  o 10.2329  0.0810608 104.728      1.65898  104.187      2.31826  105.296      2.37508  10.2058  0.113576  10.2599  0.115746  
1 1 1 38 3  7  o 3.94732  0.0755013 15.5833      0.596056 15.3829      0.819944 15.8079      0.868008 3.92163  0.104541  3.97539  0.109173  
1 1 1 38 3  8  o 8.74484  0.0784341 76.4831      1.37179  77.2635      1.93058  75.6872      1.94956  8.78874  0.109833  8.69858  0.112062  
1 1 1 38 3  9  f 7.9528   0.0803564 63.257       1.27812  60.8909      1.79395  65.6961      1.82143  7.802    0.114967  8.10406  0.112377  
1 1 1 38 3  10 o 12.4688  0.0958354 155.509      2.38991  154.044      3.31875  157.088      3.44445  12.4085  0.133728  12.5304  0.137444  
1 1 1 38 3  11 o 12.7677  0.0980364 163.059      2.5034   163.251      3.59192  162.877      3.49093  12.7734  0.140602  12.759   0.136803  
1 1 1 38 3  12 o 7.87248  0.0802198 61.9882      1.26306  61.6106      1.86674  62.307       1.71532  7.84754  0.118938  7.89205  0.108674  
1 1 1 38 3  13 f 5.12945  0.088128  26.3182      0.904096 24.7038      1.29613  27.8481      1.26174  4.96884  0.130426  5.27584  0.119577  
1 1 1 38 3  14 o 10.9385  0.0940089 119.693      2.05663  117.526      2.96469  121.704      2.85542  10.8368  0.136788  11.0282  0.12946   
1 1 1 38 3  15 o 14.4315  0.113855  208.394      3.2862   206.139      4.71219  210.529      4.58518  14.3484  0.164206  14.501   0.158099  
1 1 1 38 3  16 o 9.99349  0.0850028 99.9088      1.69895  99.238       2.40133  100.581      2.40402  9.95794  0.120574  10.0251  0.1199    
1 1 1 38 3  17 o 3.36203  0.109088  11.3115      0.733512 10.7572      1.00877  11.9333      1.0685   3.27743  0.153896  3.45191  0.154769  
1 1 1 38 3  18 f 8.77652  0.0869177 77.0686      1.52567  76.7542      2.12359  77.4041      2.19335  8.75632  0.12126   8.79305  0.124721  
1 1 1 38 3  19 o 9.26238  0.0852175 85.845       1.57863  85.4075      2.1643   86.3425      2.30763  9.23617  0.117165  9.2859   0.124255  
1 1 1 38 3  20 o 7.78144  0.0802082 60.5917      1.24827  61.2133      1.74898  59.9463      1.78213  7.81879  0.111845  7.73714  0.115167  
1 1 1 38 3  21 o 2.26622  0.14423   5.14842      0.653716 5.00796      0.906726 5.30045      0.943351 2.23238  0.203085  2.29652  0.205387  
1 1 1 38 3  22 o 5.06965  0.083532  25.7264      0.846956 26.6395      1.19779  24.8133      1.19776  5.15649  0.116144  4.97626  0.120348  
1 1 1 38 3  23 o 6.62839  0.0813569 43.9818      1.07853  44.3152      1.51514  43.6392      1.53561  6.65005  0.113919  6.59884  0.116355  
1 1 1 38 3  24 o 1.43479  0.25863   2.14693      0.715057 1.31809      0.987533 3.06043      1.03675  1.15025  0.374643  1.70761  0.315425  
1 1 1 38 3  25 o 5.19822  0.0899477 27.0672      0.935136 28.4563      1.35625  25.8083      1.29111  5.32549  0.127336  5.07167  0.127287  
1 1 1 38 3  26 o 6.39411  0.0900017 40.9654      1.15096  42.0696      1.62191  39.8452      1.63357  6.47376  0.125268  6.29943  0.12966   
1 1 1 38 3  27 o 2.29402  0.183399  5.3134       0.841442 6.93722      1.20698  3.77793      1.17368  2.61406  0.230863  1.91824  0.305925  
1 1 1 38 3  28 o 2.11956  0.198395  4.55025      0.841023 4.0927       1.27516  4.90252      1.11888  1.98952  0.320468  2.19065  0.255376  
1 1 1 38 3  29 o 2.30771  0.194905  5.39802      0.899569 6.15059      1.25964  4.61472      1.28511  2.45095  0.25697   2.11315  0.304074  
1 1 1 38 3  30 o 2.80554  0.164409  7.95581      0.92251  8.19236      1.25084  7.67371      1.366    2.83474  0.220628  2.73623  0.249614  
1 1 1 38 3  31 o 3.22932  0.139602  10.5299      0.901638 10.0909      1.26312  10.986       1.28745  3.14534  0.200792  3.28337  0.196056  
1 1 1 38 3  32 o 1.43078  0.299333  2.22328      0.828858 2.80167      1.16564  1.63173      1.17883  1.5829   0.373735  1.23211  0.409324  
1 1 1 38 3  33 o 1.36704  0.316143  2.05708      0.847797 1.16385      1.19304  2.96828      1.20498  1.10339  0.408198  1.62208  0.378066  
1 1 1 38 3  34 o 1.42716  0.310561  2.25631      0.861732 2.58259      1.20785  1.91806      1.22979  1.49405  0.397255  1.2981   0.417736  
1 1 1 38 3  35 o 0.921515 0.350438  0.747346     0.894048 1.44129      1.26736  0.0599059    1.26141  1.16664  0.421935  0.877611 0.382587  
1 1 1 38 3  36 o 1.79726  0.265307  3.45347      0.953651 3.71504      1.34197  3.18662      1.35547  1.77461  0.388746  1.62351  0.415657  
1 1 1 38 3  37 o 0.627396 0.294044  -0.703423    0.929802 -0.0177051   1.29128  -1.44179     1.33994  0.847396 0.376925  0.693014 0.332929  
1 1 1 38 3  38 o 1.24931  0.34767   1.90125      0.900045 2.82498      1.25073  0.909133     1.2962   1.48006  0.409126  0.992452 0.40749   
1 1 1 38 3  39 o 0.709513 0.321364  -0.127417    0.979292 0.408513     1.38465  -0.663777    1.38521  0.891341 0.394095  0.754486 0.354674  
1 1 1 38 3  40 o 0.830259 0.350547  0.61461      0.999727 0.9551       1.46077  0.314624     1.37114  0.949679 0.412841  0.843859 0.381339  
1 1 1 38 3  41 o 0.602909 0.293261  -1.1206      1.12533  -0.836599    1.57402  -1.41754     1.60948  0.731621 0.353622  0.696211 0.341175  
1 1 1 38 3  42 o 0.822215 0.365185  0.935168     1.20721  2.15446      1.70849  -0.280598    1.70602  0.98008  0.434978  0.739608 0.360106  
1 1 1 38 3  43 o 1.03108  0.40348   2.33178      1.20679  1.99993      1.6943   2.67349      1.71929  0.885594 0.408668  0.961429 0.431077  
1 1 1 38 4  0  o 17.6866  0.169637  312.994      5.99934  312.994      5.99934  312.994      5.99934  17.6891  0.119922  ?        ?         
1 1 1 38 4  1  o 12.537   0.0905437 157.204      2.2703   156.825      3.20246  157.586      3.21898  12.5209  0.127885  12.5512  0.128234  
1 1 1 38 4  2  o 18.4848  0.138841  341.824      5.13288  343.995      7.21351  339.596      7.30532  18.5398  0.194542  18.4205  0.198293  
1 1 1 38 4  3  o 12.188   0.0952165 148.576      2.321    148.85       3.20719  148.275      3.36315  12.1982  0.131462  12.1744  0.138124  
1 1 1 38 4  4  o 5.47034  0.0640746 29.9273      0.70102  29.842       0.966456 30.0219      1.01836  5.46233  0.0884655 5.47872  0.0929382 
1 1 1 38 4  5  f 6.72078  0.0662158 45.1732      0.890044 43.9071      1.22146  46.6064      1.29959  6.62563  0.092177  6.82622  0.0951913 
1 1 1 38 4  6  o 16.0449  0.129374  257.534      4.15159  256.823      5.60727  258.397      6.17639  16.0203  0.175005  16.0682  0.192193  
1 1 1 38 4  7  o 14.2574  0.11069   203.331      3.1563   201.648      4.3816   205.147      4.55056  14.1964  0.154321  14.3188  0.158902  
1 1 1 38 4  8  o 10.5929  0.0938956 112.234      1.98926  113.819      2.88242  110.793      2.74881  10.6662  0.135119  10.5236  0.130602  
1 1 1 38 4  9  o 12.03    0.0978326 144.757      2.35386  141.383      3.31214  148.2        3.34584  11.8875  0.139312  12.1708  0.137454  
1 1 1 38 4  10 o 15.7075  0.117379  246.817      3.68744  242.129      5.14072  251.786      5.29224  15.5546  0.165247  15.8617  0.166825  
1 1 1 38 4  11 o 2.96181  0.103331  8.77508      0.612092 8.8514       0.91749  8.71386      0.821673 2.97408  0.154248  2.95108  0.139216  
1 1 1 38 4  12 o 12.7225  0.10363   161.918      2.63686  162.362      3.9282   161.554      3.55747  12.7373  0.154201  12.7064  0.139987  
1 1 1 38 4  13 o 6.82925  0.0824523 46.6505      1.12617  46.2657      1.54907  47.0818      1.64013  6.80024  0.113898  6.85978  0.119547  
1 1 1 38 4  14 o 8.93592  0.0823989 79.8745      1.47262  78.1287      2.00024  81.9407      2.17604  8.83651  0.11318   9.04918  0.120234  
1 1 1 38 4  15 o 17.3895  0.123539  302.625      4.29656  294.734      6.0229   310.803      6.13106  17.1546  0.175548  17.6162  0.174017  
1 1 1 38 4  16 o 7.94605  0.0806445 63.1631      1.28161  62.1112      1.77114  64.3193      1.85684  7.87824  0.112407  8.01688  0.115808  
1 1 1 38 4  17 o 5.95563  0.0805491 35.4844      0.959441 35.0163      1.30375  36.0374      1.41703  5.91511  0.110205  6.00037  0.118078  
1 1 1 38 4  18 o 6.81347  0.0874545 46.4502      1.19174  48.7022      1.65314  44.0136      1.71956  6.97495  0.118506  6.63001  0.12968   
1 1 1 38 4  19 o 11.086   0.0922665 122.996      2.04573  123.453      2.86982  122.525      2.91695  11.1023  0.129244  11.0602  0.131867  
1 1 1 38 4  20 o 6.44651  0.0783315 41.5852      1.00993  43.7111      1.45503  39.6089      1.40291  6.60708  0.110111  6.28931  0.111531  
1 1 1 38 4  21 o 5.68815  0.0801609 32.3811      0.911935 32.4273      1.26913  32.3317      1.31125  5.69006  0.111521  5.68135  0.115399  
1 1 1 38 4  22 f 6.20063  0.0804667 38.4838      0.997889 39.5662      1.42044  37.429       1.40219  6.28433  0.113014  6.11208  0.114707  
1 1 1 38 4  23 o 4.84676  0.0880538 23.5215      0.853552 23.6233      1.20678  23.4196      1.20743  4.85407  0.124306  4.83304  0.124914  
1 1 1 38 4  24 o 2.48533  0.148256  6.20329      0.736932 5.93436      1.03343  6.48152      1.05115  2.42539  0.213045  2.53532  0.207301  
1 1 1 38 4  25 o 4.61217  0.0933398 21.3122      0.860997 21.3298      1.22994  21.2952      1.20569  4.60962  0.133411  4.6062   0.130876  
1 1 1 38 4  26 o 3.88484  0.111999  15.1405      0.870192 16.4562      1.22252  13.7893      1.23892  4.04485  0.15112   3.70018  0.167414  
1 1 1 38 4  27 o 4.70673  0.106109  22.2273      0.998858 20.8323      1.40971  23.6337      1.41551  4.54818  0.154975  4.84625  0.146041  
1 1 1 38 4  28 o 2.77799  0.150612  7.77692      0.836795 9.78068      1.26933  6.2367       1.11286  3.10515  0.20439   2.4759   0.224739  
1 1 1 38 4  29 o 3.72555  0.13793   13.975       1.02773  14.3018      1.43723  13.6331      1.47018  3.75681  0.191284  3.66554  0.200541  
1 1 1 38 4  30 o 1.6107   0.256555  2.66304      0.826466 2.9674       1.11697  2.29481      1.22859  1.65381  0.348597  1.4445   0.407575  
1 1 1 38 4  31 o 3.54991  0.129621  12.7087      0.920283 13.4468      1.32393  12.0186      1.28013  3.63678  0.182019  3.4369   0.186233  
1 1 1 38 4  32 o 2.67911  0.161797  7.28656      0.866946 6.80601      1.22801  7.76406      1.2241   2.56649  0.239239  2.74706  0.222801  
1 1 1 38 4  33 o 0.978719 0.344456  0.948466     0.839543 1.09128      1.20138  0.812161     1.17369  1.08542  0.408006  1.01302  0.397603  
1 1 1 38 4  34 o 0.666893 0.301437  -0.342372    0.857232 -0.225521    1.21004  -0.460103    1.21459  0.819111 0.364594  0.785694 0.356677  
1 1 1 38 4  35 o 3.34786  0.146985  11.4166      0.984167 12.4086      1.3918   10.4246      1.39184  3.4631   0.200948  3.16371  0.21997   
1 1 1 38 4  36 o 0.706272 0.313454  -0.136524    0.887195 -0.302952    1.2486   0.033189     1.26086  0.804015 0.363586  0.859081 0.378428  
1 1 1 38 4  37 o 0.715225 0.318112  -0.111077    0.919612 0.49755      1.27259  -0.776248    1.33039  0.92614  0.393474  0.757045 0.354215  
1 1 1 38 4  38 o 1.14727  0.354751  1.61613      0.896104 1.09185      1.2304   2.20835      1.3077   1.01581  0.404423  1.28942  0.431116  
1 1 1 38 4  39 o 0.773709 0.341458  0.170461     1.03302  1.4435       1.54554  -0.857487    1.38881  1.07869  0.444275  0.734279 0.348852  
1 1 1 38 4  40 o 0.600817 0.288468  -0.866826    1.0023   -0.808148    1.46994  -0.917813    1.37024  0.732157 0.350997  0.699187 0.336084  
1 1 1 38 4  41 o 0.941068 0.387404  1.24606      1.17462  1.29411      1.65569  1.19737      1.66669  0.960362 0.427001  0.947947 0.424746  
1 1 1 38 4  42 o 0.928203 0.388286  1.59311      1.20804  0.239702     1.69749  2.98196      1.71957  0.769613 0.370942  1.08165  0.458365  
1 1 1 38 4  43 o 0.657959 0.316086  0.121102     1.20774  0.332494     1.69797  -0.0953655   1.71823  0.707459 0.347883  0.682055 0.337696  
1 1 1 38 5  0  o 3.43765  0.104541  11.8516      0.717245 11.8516      0.717245 11.8516      0.717245 3.44014  0.0737901 ?        ?         
1 1 1 38 5  1  o 28.2026  0.196076  796.039      11.0597  789.52       15.515   802.775      15.7698  28.0755  0.276308  28.3098  0.278522  
1 1 1 38 5  2  o 20.4064  0.148613  416.617      6.0653   412.856      8.61619  420.311      8.53958  20.309   0.212127  20.4919  0.208364  
1 1 1 38 5  3  o 22.1582  0.162898  491.265      7.21906  487.915      10.1487  494.695      10.271   22.0762  0.229857  22.2289  0.231027  
1 1 1 38 5  4  o 4.99962  0.0696188 24.9988      0.696135 25.3566      0.956311 24.5956      1.0153   5.03503  0.0949658 4.95882  0.102373  
1 1 1 38 5  5  o 16.5567  0.127508  274.224      4.22223  272.116      5.78293  276.631      6.17901  16.4903  0.175343  16.6258  0.185825  
1 1 1 38 5  6  o 15.777   0.122384  249.001      3.8617   246.264      5.27373  252.165      5.67036  15.6877  0.168085  15.8738  0.178607  
1 1 1 38 5  7  o 12.7697  0.1014    163.104      2.58968  162.408      3.60585  163.846      3.72161  12.7409  0.141507  12.7969  0.14541   
1 1 1 38 5  8  o 13.2112  0.102262  174.581      2.702    171.133      3.80735  178.08       3.8352   13.0782  0.145561  13.3412  0.143736  
1 1 1 38 5  9  o 12.2302  0.0944325 149.613      2.30985  148.176      3.29387  151.003      3.24004  12.1697  0.135331  12.2854  0.131865  
1 1 1 38 5  10 o 6.97011  0.0731221 48.59        1.01934  49.3618      1.50853  47.9414      1.38279  7.02462  0.107375  6.92297  0.0998696 
1 1 1 38 5  11 o 6.92672  0.0843389 47.99        1.16838  52.2643      1.9356   45.5398      1.46549  7.22738  0.133907  6.74708  0.108602  
1 1 1 38 5  12 o 7.62402  0.0808498 58.1389      1.2328   58.3524      1.76629  57.9361      1.72146  7.63709  0.115639  7.60987  0.113107  
1 1 1 38 5  13 o 3.22456  0.104483  10.4024      0.673822 9.72476      0.957936 11.0661      0.947997 3.11694  0.153666  3.32518  0.142548  
1 1 1 38 5  14 o 3.07145  0.110952  9.43927      0.681569 8.79195      0.926607 10.2023      1.00605  2.96341  0.156341  3.19224  0.157578  
1 1 1 38 5  15 o 19.2159  0.135785  369.616      5.21846  362.045      7.41411  377.05       7.3464   19.0083  0.195023  19.3993  0.189347  
1 1 1 38 5  16 o 5.15418  0.0841874 26.5769      0.867834 27.4252      1.20572  25.665       1.25009  5.23481  0.115164  5.06374  0.123435  
1 1 1 38 5  17 o 11.8117  0.0970163 139.606      2.29185  136.28       3.02262  144.103      3.51517  11.6671  0.129536  11.9953  0.146523  
1 1 1 38 5  18 o 7.278    0.0831841 52.9991      1.21083  53.4981      1.74085  52.5315      1.68524  7.30999  0.119073  7.24384  0.116323  
1 1 1 38 5  19 o 6.4478   0.0784687 41.6003      1.0119   43.0757      1.44202  40.169       1.42031  6.5592   0.109924  6.33387  0.11212   
1 1 1 38 5  20 o 2.76962  0.120151  7.68335      0.665548 7.66069      0.928659 7.70727      0.954318 2.76337  0.16803   2.77154  0.172164  
1 1 1 38 5  21 o 6.00881  0.0800957 36.1366      0.962559 35.8769      1.36171  36.3959      1.36082  5.98458  0.113768  6.02779  0.112879  
1 1 1 38 5  22 o 2.1962   0.149933  4.83957      0.658564 5.8223       0.919277 3.80347      0.943913 2.40629  0.191015  1.94156  0.243081  
1 1 1 38 5  23 f 2.11404  0.162954  4.49004      0.68898  4.24044      0.944487 4.77392      1.00727  2.04963  0.230405  2.17463  0.231595  
1 1 1 38 5  24 o 1.42637  0.236888  2.05748      0.675779 3.0244       0.963275 1.1204       0.948293 1.72567  0.279101  1.08112  0.367124  
1 1 1 38 5  25 o 2.57899  0.140377  6.68086      0.724062 6.52919      1.02522  6.83179      1.02274  2.54361  0.201529  2.60247  0.196494  
1 1 1 38 5  26 o 2.30824  0.161964  5.36585      0.747703 3.48482      1.04233  7.35987      1.07317  1.84712  0.282149  2.69861  0.198838  
1 1 1 38 5  27 o 2.19374  0.178684  4.85954      0.783973 3.14425      1.13607  6.41899      1.08323  1.71475  0.343383  2.51576  0.215289  
1 1 1 38 5  28 o 6.15049  0.0989349 37.9609      1.217    36.2778      1.74515  39.5542      1.698    6.00035  0.145421  6.26859  0.135437  
1 1 1 38 5  29 o 1.32301  0.331841  1.89209      0.877299 1.83916      1.18285  1.95681      1.30793  1.3114   0.407997  1.35348  0.430326  
1 1 1 38 5  30 o 2.89383  0.151782  8.45598      0.878464 9.17735      1.23609  7.71985      1.24867  3.00237  0.205853  2.74835  0.227168  
1 1 1 38 5  31 o 0.819515 0.326995  0.411909     0.805995 0.848724     1.1638   0.00929009   1.11732  1.03015  0.397636  0.840642 0.363182  
1 1 1 38 5  32 o 0.635374 0.289052  -0.424462    0.807081 0.169639     1.15419  -0.992908    1.129    0.87806  0.373934  0.690649 0.323747  
1 1 1 38 5  33 o 2.22579  0.198733  5.08558      0.884676 6.01727      1.29186  4.26278      1.21401  2.39515  0.269682  2.00375  0.302934  
1 1 1 38 5  34 o 1.13191  0.349336  1.42024      0.869512 1.66825      1.23231  1.17434      1.22706  1.22763  0.418505  1.10047  0.412604  
1 1 1 38 5  35 o 1.70215  0.264154  3.07469      0.899259 4.03863      1.28022  2.13585      1.26344  1.88757  0.352215  1.34478  0.422326  
1 1 1 38 5  36 o 1.72885  0.266301  3.22041      0.920788 2.77803      1.30186  3.66324      1.30253  1.50006  0.41836   1.75413  0.381905  
1 1 1 38 5  37 o 0.810024 0.335629  0.405141     0.889335 -0.189428    1.24155  1.03169      1.27451  0.804639 0.363283  1.02911  0.411015  
1 1 1 38 5  38 o 2.44932  0.201446  6.38542      0.986813 7.03535      1.32401  5.57317      1.48014  2.51717  0.262995  2.16779  0.341393  
1 1 1 38 5  39 o 1.12099  0.378952  1.65221      1.01038  1.53926      1.47668  1.75164      1.38547  1.08845  0.43923   1.13055  0.434399  
1 1 1 38 5  40 o 0.695902 0.322683  -0.219921    1.07292  0.785657     1.63877  -0.974318    1.41942  0.922722 0.416942  0.700179 0.3379    
1 1 1 38 5  41 o 1.40059  0.420603  3.21121      1.27207  1.90956      1.66674  5.02716      1.96868  1.03139  0.444559  1.52779  0.528447  
1 1 1 38 5  42 o 0.669232 0.320288  -0.216175    1.21098  -0.0356619   1.58785  -0.467142    1.87225  0.736061 0.355665  0.735418 0.362236  
1 1 1 38 6  0  o 13.8778  0.154589  192.715      4.2895   192.715      4.2895   192.715      4.2895   13.88    0.109278  ?        ?         
1 1 1 38 6  1  o 30.2062  0.217097  913.351      13.1154  902.472      18.5706  924.177      18.5253  30.0097  0.309409  30.3694  0.305     
1 1 1 38 6  2  o 10.5441  0.0862609 111.196      1.81909  110.135      2.52742  112.337      2.62024  10.4928  0.120436  10.5971  0.12363   
1 1 1 38 6  3  o 6.84915  0.0768814 46.917       1.05315  47.786       1.4177   45.8469      1.57315  6.91193  0.102554  6.77002  0.116185  
1 1 1 38 6  4  o 13.4463  0.102077  180.846      2.74511  184.89       4.00684  177.269      3.76846  13.5941  0.147375  13.3112  0.141552  
1 1 1 38 6  5  f 24.3429  0.180562  593.026      8.79079  589.985      12.5407  595.963      12.3262  24.2706  0.258351  24.3941  0.252647  
1 1 1 38 6  6  o 22.008   0.164337  484.667      7.23345  477.312      9.97251  492.833      10.5078  21.8336  0.228375  22.1847  0.236825  
1 1 1 38 6  7  o 13.2754  0.100866  176.281      2.67806  172.801      3.82133  179.639      3.75427  13.1418  0.145388  13.3996  0.140089  
1 1 1 38 6  8  o 16.0507  0.117409  257.721      3.76901  251.938      5.29154  263.675      5.36968  15.8666  0.166751  16.2321  0.165403  
1 1 1 38 6  9  o 3.56237  0.0906954 12.6934      0.646181 11.3581      0.96988  13.7593      0.866508 3.36918  0.143934  3.70863  0.116823  
1 1 1 38 6  10 o 16.2806  0.131034  265.196      4.26661  261.865      6.36975  267.906      5.74612  16.1727  0.19693   16.3601  0.175613  
1 1 1 38 6  11 o 11.9936  0.103086  143.898      2.47276  140.824      3.56714  146.742      3.43085  11.8624  0.150355  12.1097  0.141657  
1 1 1 38 6  12 o 11.3509  0.0928121 128.886      2.10701  129.305      2.99283  128.474      2.96686  11.3674  0.13164   11.3309  0.130919  
1 1 1 38 6  13 o 5.23044  0.0874173 27.3668      0.914461 28.4867      1.31616  26.3217      1.27148  5.33546  0.123341  5.12869  0.123958  
1 1 1 38 6  14 o 11.918   0.0949001 142.103      2.26204  141.815      3.1889   142.394      3.2092   11.9033  0.133951  11.9275  0.13453   
1 1 1 38 6  15 o 12.0793  0.0988061 145.991      2.38702  144.6        3.23524  147.652      3.53634  12.0188  0.13459   12.144   0.145601  
1 1 1 38 6  16 f 2.96474  0.114524  8.79702      0.679065 8.56089      0.952763 9.04082      0.968106 2.92339  0.162955  3.00428  0.161121  
1 1 1 38 6  17 o 6.35052  0.0804194 40.3483      1.02141  40.9877      1.3859   39.588       1.51121  6.39937  0.108284  6.28851  0.120156  
1 1 1 38 6  18 o 2.79369  0.119123  7.81454      0.665585 8.14713      0.906964 7.42638      0.97981  2.85111  0.159055  2.72121  0.180032  
1 1 1 38 6  19 o 4.12566  0.0903136 17.0359      0.745207 16.2148      1.04329  17.8912      1.0648   4.02318  0.12966   4.22625  0.125975  
1 1 1 38 6  20 o 8.51208  0.0849075 72.5179      1.44548  73.5787      2.15948  71.6568      1.94564  8.56965  0.125996  8.45832  0.115013  
1 1 1 38 6  21 o 5.34024  0.0811701 28.5443      0.866934 29.4323      1.23063  27.6695      1.22148  5.42027  0.113521  5.25522  0.116216  
1 1 1 38 6  22 o 4.90275  0.086413  24.0654      0.847324 24.7291      1.21296  23.4327      1.18416  4.96693  0.122103  4.83495  0.122458  
1 1 1 38 6  23 o 0.789278 0.300546  0.446096     0.658318 0.591731     0.89847  0.277277     0.967346 0.914341 0.350253  0.859842 0.352361  
1 1 1 38 6  24 o 0.644037 0.278978  -0.0811874   0.662584 0.700691     0.930991 -0.883707    0.9432   0.953578 0.359027  0.639081 0.29872   
1 1 1 38 6  25 o 4.38574  0.0982615 19.2788      0.861899 19.6849      1.23331  18.8911      1.20501  4.42658  0.139307  4.33647  0.138939  
1 1 1 38 6  26 o 4.1857   0.107642  17.5772      0.901114 17.0525      1.21161  18.2268      1.34802  4.11704  0.147145  4.2544   0.158426  
1 1 1 38 6  27 o 1.44755  0.266638  2.20669      0.743003 1.34734      1.08093  2.97639      1.02299  1.16236  0.391958  1.6732   0.317203  
1 1 1 38 6  28 o 1.36343  0.305748  1.99324      0.813052 2.15461      1.23313  1.86914      1.08141  1.40847  0.41191   1.31729  0.385896  
1 1 1 38 6  29 o 4.12737  0.12476   17.1394      1.02986  18.0089      1.46751  16.2956      1.44563  4.21869  0.17393   4.01127  0.180196  
1 1 1 38 6  30 o 0.702668 0.30533   -0.0714253   0.798371 -0.125571    1.11794  -0.0150686   1.14053  0.819925 0.358779  0.847302 0.366509  
1 1 1 38 6  31 o 3.19951  0.138542  10.3427      0.886532 11.3117      1.26405  9.40459      1.24369  3.33105  0.189738  3.03243  0.205064  
1 1 1 38 6  32 o 2.23374  0.193656  5.10285      0.865154 5.36542      1.21141  4.82952      1.23599  2.26763  0.267109  2.14408  0.288233  
1 1 1 38 6  33 o 2.16318  0.19999   4.81118      0.865228 5.60968      1.24367  4.06217      1.20451  2.31034  0.269153  1.95115  0.308665  
1 1 1 38 6  34 o 0.970847 0.348828  0.927531     0.864977 1.27413      1.22982  0.588219     1.21681  1.12457  0.414758  0.966335 0.395462  
1 1 1 38 6  35 o 2.57217  0.180728  6.80694      0.929728 5.73093      1.29757  7.94219      1.33281  2.31477  0.28028   2.74752  0.242547  
1 1 1 38 6  36 o 2.31729  0.208554  5.63716      0.966559 4.45661      1.32909  6.9624       1.40818  1.95695  0.352437  2.52846  0.278466  
1 1 1 38 6  37 o 3.31929  0.14807   11.3364      0.982974 10.5725      1.36609  12.1566      1.4155   3.15504  0.216492  3.39011  0.208769  
1 1 1 38 6  38 o 0.822762 0.343252  0.486421     0.94016  -0.177083    1.25891  1.32309      1.41368  0.789353 0.359611  1.06651  0.430013  
1 1 1 38 6  39 o 0.986823 0.367838  1.19273      0.97243  -0.602876    1.37548  2.98699      1.37497  0.752246 0.353565  1.43438  0.438603  
1 1 1 38 6  40 o 0.892246 0.370008  0.959756     1.08227  2.36615      1.61591  -0.184361    1.45746  1.15686  0.462512  0.777842 0.365197  
1 1 1 38 6  41 o 0.798821 0.362085  0.585785     1.24548  -0.0208903   1.59488  1.53405      1.99396  0.774609 0.369963  0.945375 0.438951  
1 1 1 38 6  42 o 1.04224  0.406627  2.12267      1.2238   2.47611      1.67611  1.71909      1.79104  1.02113  0.443038  0.915354 0.421552  
1 1 1 38 7  0  o 26.3139  0.27207   693.221      14.315   693.221      14.315   693.221      14.315   26.3215  0.192304  ?        ?         
1 1 1 38 7  1  o 17.8909  0.138452  320.223      4.95405  321.097      6.9212   319.305      7.09418  17.9116  0.193205  17.8611  0.198593  
1 1 1 38 7  2  o 20.1335  0.156859  405.587      6.31627  405.896      8.94758  405.28       8.9176   20.1354  0.222185  20.1202  0.221608  
1 1 1 38 7  3  o 18.3445  0.139872  336.675      5.13177  343.419      7.39339  330.404      7.12869  18.5229  0.199574  18.1688  0.196179  
1 1 1 38 7  4  o 1.94288  0.127502  3.77625      0.495443 4.18716      0.722713 3.41193      0.680514 2.04549  0.17666   1.84639  0.184282  
1 1 1 38 7  5  o 17.2307  0.124433  297.01       4.28814  291.728      6.03985  302.379      6.08914  17.0734  0.176879  17.3824  0.175152  
1 1 1 38 7  6  o 27.6009  0.196912  762.566      10.8699  744.076      15.3899  780.973      15.3548  27.2497  0.282386  27.9187  0.274993  
1 1 1 38 7  7  o 13.0609  0.0998637 170.632      2.60862  166.081      3.70657  175.099      3.67195  12.8837  0.143848  13.229   0.138784  
1 1 1 38 7  8  o 16.2952  0.122189  265.645      3.98217  259.962      5.7595   270.85       5.51194  16.116   0.178689  16.451   0.167526  
1 1 1 38 7  9  o 9.50968  0.0845823 90.4535      1.6087   94.074       2.44927  87.7067      2.13339  9.69684  0.126292  9.36335  0.113922  
1 1 1 38 7  10 o 10.0777  0.0976826 101.591      1.96883  99.9769      2.76875  103.242      2.80021  9.99574  0.138496  10.1577  0.137837  
1 1 1 38 7  11 o 1.38346  0.216365  1.91723      0.598664 2.46764      0.860406 1.4007       0.833513 1.54351  0.289402  1.16887  0.337631  
1 1 1 38 7  12 o 24.5652  0.17142   604.203      8.42196  597.233      11.6792  611.753      12.156   24.4083  0.239246  24.7015  0.246058  
1 1 1 38 7  13 o 13.3583  0.104655  178.538      2.79603  174.925      3.80498  182.78       4.12243  13.2193  0.143917  13.5121  0.152546  
1 1 1 38 7  14 o 16.8618  0.122231  284.548      4.12206  281.05       5.84397  288.011      5.81509  16.7509  0.174437  16.9576  0.17146   
1 1 1 38 7  15 o 7.40753  0.080565  54.8929      1.19358  55.6824      1.68426  54.0964      1.69171  7.45919  0.112898  7.35209  0.11505   
1 1 1 38 7  16 o 6.0464   0.0760318 36.5734      0.919438 35.6058      1.29748  37.5494      1.3031   5.96462  0.108765  6.12537  0.106369  
1 1 1 38 7  17 o 5.49784  0.0826026 30.2426      0.908272 29.524       1.20019  31.2058      1.38948  5.43094  0.110496  5.58275  0.124444  
1 1 1 38 7  18 o 4.01515  0.091278  16.1346      0.732991 16.1418      1.02156  16.1271      1.05234  4.01452  0.127233  4.01249  0.131133  
1 1 1 38 7  19 o 5.6572   0.0818422 32.0277      0.925997 31.9794      1.30587  32.0765      1.31327  5.65086  0.115546  5.65939  0.116026  
1 1 1 38 7  20 o 3.06373  0.107283  9.40021      0.657369 9.34491      0.90264  9.46266      0.959263 3.05269  0.147843  3.07137  0.156162  
1 1 1 38 7  21 o 6.04781  0.0791753 36.6093      0.957673 38.8706      1.37249  34.4636      1.33692  6.2291   0.110167  5.865    0.113975  
1 1 1 38 7  22 o 7.77494  0.0841513 60.5213      1.30854  59.4831      1.83905  61.5858      1.86228  7.70329  0.119368  7.83835  0.118793  
1 1 1 38 7  23 o 2.01211  0.163322  4.06948      0.657246 3.48084      0.905749 4.72414      0.955192 1.85505  0.244131  2.16334  0.220767  
1 1 1 38 7  24 o 3.94535  0.102187  15.6005      0.806324 16.3864      1.14023  14.8145      1.1404   4.03948  0.141135  3.83999  0.14849   
1 1 1 38 7  25 o 2.34189  0.16086   5.5201       0.753434 4.7546       1.05729  6.30991      1.07394  2.1644   0.244244  2.49755  0.215     
1 1 1 38 7  26 o 1.04471  0.320132  1.13033      0.731971 0.513208     1.00509  1.82726      1.06811  0.922435 0.366065  1.31017  0.383421  
1 1 1 38 7  27 o 1.28866  0.289105  1.77111      0.726691 1.56125      1.04068  1.97081      1.01519  1.22028  0.383304  1.35074  0.366498  
1 1 1 38 7  28 o 3.19448  0.143901  10.2804      0.919381 9.53533      1.37339  10.8854      1.23759  3.06021  0.224394  3.27826  0.188758  
1 1 1 38 7  29 o 1.4514   0.294306  2.25115      0.824526 3.95958      1.19682  0.70777      1.13754  1.95351  0.306327  0.999449 0.391604  
1 1 1 38 7  30 o 1.36707  0.304319  2.02571      0.81036  1.01959      1.0976   3.23127      1.20148  1.0604   0.391683  1.7144   0.361674  
1 1 1 38 7  31 o 2.70921  0.160341  7.44684      0.868798 7.48405      1.22211  7.40882      1.23532  2.69653  0.226609  2.68168  0.230326  
1 1 1 38 7  32 o 2.25411  0.192326  5.19785      0.867046 5.83754      1.22904  4.56406      1.22336  2.36647  0.259677  2.0806   0.293992  
1 1 1 38 7  33 o 2.01202  0.214508  4.18637      0.86319  3.79381      1.24314  4.55186      1.1995   1.84267  0.349972  2.07031  0.28969   
1 1 1 38 7  34 o 1.31719  0.333919  1.95488      0.881249 2.4778       1.25839  1.45162      1.2345   1.45434  0.413177  1.16836  0.417034  
1 1 1 38 7  35 o 0.920937 0.350558  0.767684     0.895379 1.98721      1.26848  -0.44335     1.26405  1.29768  0.424602  0.795208 0.361759  
1 1 1 38 7  36 o 2.0938   0.228491  4.65677      0.956831 4.19501      1.32575  5.15881      1.38235  1.88463  0.364745  2.14266  0.322578  
1 1 1 38 7  37 f 0.907932 0.347116  0.820053     0.881032 0.0318562    1.2037   1.72956      1.29302  0.821611 0.364819  1.1819   0.42631   
1 1 1 38 7  38 o 0.70585  0.31735   -0.0851537   0.937598 -0.541224    1.31669  0.383993     1.33543  0.753219 0.35241   0.882632 0.389049  
1 1 1 38 7  39 o 0.845665 0.349995  0.664544     0.965365 0.357559     1.36515  0.971605     1.36532  0.861382 0.385223  0.958654 0.40743   
1 1 1 38 7  40 f 0.793239 0.349189  0.469939     1.07208  -0.224131    1.52656  1.1454       1.50595  0.782279 0.369075  0.947462 0.415485  
1 1 1 38 7  41 o 0.885439 0.389781  1.23288      1.33584  0.872439     1.81959  1.65425      1.9674   0.857956 0.404241  0.93393  0.434553  
1 1 1 38 7  42 o 0.828735 0.366977  1.05836      1.20687  1.23019      1.62016  0.844168     1.80894  0.852972 0.395903  0.819963 0.392194  
1 1 1 38 8  0  o 22.0427  0.235754  486.368      10.3906  486.368      10.3906  486.368      10.3906  22.0482  0.16664   ?        ?         
1 1 1 38 8  1  o 9.45492  0.0830238 89.4102      1.56997  87.4723      2.16598  91.5553      2.27886  9.35115  0.115813  9.56682  0.119102  
1 1 1 38 8  2  o 12.2282  0.0968003 149.562      2.36738  148.506      3.21842  150.807      3.49457  12.1837  0.132079  12.2773  0.142318  
1 1 1 38 8  3  f 18.1466  0.140501  329.459      5.09924  327.11       7.27317  331.73       7.1512   18.0771  0.201171  18.2047  0.19641   
1 1 1 38 8  4  o 3.7354   0.0793606 13.9554      0.592887 14.6618      0.884223 13.3784      0.799154 3.82842  0.115481  3.6571   0.109261  
1 1 1 38 8  5  o 2.61043  0.102436  6.81623      0.534802 6.61301      0.79879  6.98132      0.719983 2.57076  0.155361  2.64157  0.136279  
1 1 1 38 8  6  o 8.89525  0.0784272 79.1387      1.39526  77.6685      1.99364  80.5501      1.95337  8.81143  0.113128  8.97352  0.108841  
1 1 1 38 8  7  o 19.8749  0.144292  395.246      5.73557  390.52       8.24238  399.683      7.98632  19.7493  0.208675  19.9807  0.199851  
1 1 1 38 8  8  o 8.10443  0.0762126 65.6933      1.23532  63.8891      1.74699  67.4976      1.74702  7.99163  0.109301  8.21429  0.106341  
1 1 1 38 8  9  o 1.76133  0.162452  3.10491      0.572265 3.06589      0.808637 3.14405      0.809974 1.74947  0.231109  1.77167  0.228591  
1 1 1 38 8  10 o 8.79532  0.0892037 77.3796      1.56915  74.7156      2.16112  80.3501      2.28204  8.6414   0.125044  8.96122  0.127329  
1 1 1 38 8  11 o 9.03548  0.0814501 81.6618      1.47188  80.013       2.11403  83.2131      2.05053  8.94244  0.118202  9.11976  0.112423  
1 1 1 38 8  12 o 5.4678   0.0791479 29.9055      0.86553  30.6742      1.26387  29.2265      1.18776  5.53676  0.114135  5.40464  0.109883  
1 1 1 38 8  13 o 5.07047  0.0784208 25.7178      0.79526  24.8357      1.13545  26.5671      1.11418  4.98189  0.113958  5.15279  0.108115  
1 1 1 38 8  14 o 4.74123  0.0809223 22.4877      0.767343 22.1574      1.11442  22.7854      1.05814  4.70528  0.118422  4.77173  0.110876  
1 1 1 38 8  15 o 13.0716  0.10346   170.985      2.70478  168.908      3.7899   173.141      3.86138  12.9875  0.145905  13.1491  0.14683   
1 1 1 38 8  16 o 4.7754   0.0816581 22.8156      0.779901 22.1562      1.04515  23.6441      1.17152  4.70488  0.111071  4.8599   0.120529  
1 1 1 38 8  17 o 6.74871  0.0831758 45.5726      1.12266  45.208       1.54374  45.982       1.63561  6.7198   0.114865  6.77668  0.120679  
1 1 1 38 8  18 o 5.87864  0.0787464 34.5809      0.925843 34.0174      1.28279  35.1936      1.33761  5.82876  0.11004   5.92848  0.112812  
1 1 1 38 8  19 o 4.98741  0.0831215 24.8942      0.829122 25.0014      1.13318  24.7708      1.21634  4.99639  0.1134    4.97268  0.122303  
1 1 1 38 8  20 o 5.40374  0.078831  29.2251      0.851964 27.5886      1.15597  31.171       1.26052  5.24815  0.110131  5.57824  0.112986  
1 1 1 38 8  21 o 4.67992  0.0854284 21.9259      0.799596 22.2784      1.13199  21.5749      1.12961  4.71478  0.120047  4.63959  0.121736  
1 1 1 38 8  22 o 7.27487  0.0820775 52.9868      1.19421  52.8815      1.66518  53.0983      1.71359  7.26348  0.114627  7.27789  0.117726  
1 1 1 38 8  23 o 2.44146  0.137644  5.98345      0.672104 5.51447      0.928784 6.499        0.973812 2.33908  0.198536  2.53999  0.191696  
1 1 1 38 8  24 o 3.44228  0.111705  11.8826      0.76904  12.8706      1.11211  10.9771      1.06462  3.5779   0.155414  3.30358  0.161131  
1 1 1 38 8  25 o 4.32024  0.103352  18.7177      0.893015 17.7861      1.19618  19.8907      1.34223  4.20611  0.142196  4.4465   0.150931  
1 1 1 38 8  26 o 3.13864  0.126604  9.89877      0.794732 8.27614      1.13392  11.4654      1.11418  2.85993  0.198243  3.37221  0.1652    
1 1 1 38 8  27 o 1.28347  0.298442  1.76303      0.752263 1.67926      1.07432  1.84362      1.0537   1.25832  0.388295  1.30909  0.380098  
1 1 1 38 8  28 o 2.58935  0.16817   6.77404      0.870899 7.05445      1.25786  6.51585      1.20699  2.62843  0.239281  2.52618  0.238895  
1 1 1 38 8  29 o 1.7354   0.232634  3.07726      0.807424 4.25907      1.17515  2.02046      1.11126  2.02939  0.289534  1.36055  0.388829  
1 1 1 38 8  30 o 1.06377  0.338139  1.19139      0.807604 0.750854     1.09187  1.72352      1.20002  0.990098 0.384536  1.26675  0.412986  
1 1 1 38 8  31 o 3.27996  0.137235  10.8754      0.900253 11.4997      1.27783  10.2602      1.26852  3.356    0.190379  3.1665   0.200303  
1 1 1 38 8  32 o 1.31225  0.321976  1.90507      0.839819 0.38723      1.17892  3.46888      1.19664  0.9242   0.384897  1.76826  0.350836  
1 1 1 38 8  33 o 0.782736 0.325286  0.259597     0.839242 -0.797498    1.18953  1.30727      1.18422  0.73178  0.339491  1.12848  0.407887  
1 1 1 38 8  34 o 0.710104 0.313175  -0.114554    0.866976 -0.416683    1.23932  0.175008     1.21327  0.795854 0.360941  0.88161  0.379638  
1 1 1 38 8  35 f 2.68926  0.174252  7.45234      0.937219 8.29647      1.33174  6.62404      1.3192   2.80261  0.237589  2.48807  0.265106  
1 1 1 38 8  36 o 0.977789 0.354412  1.02458      0.894611 2.69853      1.26462  -0.65228     1.26572  1.46692  0.413382  0.753347 0.349765  
1 1 1 38 8  37 o 0.781729 0.328224  0.344955     0.868432 0.625731     1.19635  0.0322057    1.26263  0.919262 0.385571  0.832925 0.371539  
1 1 1 38 8  38 o 0.920249 0.359817  0.92027      0.959335 1.30907      1.35671  0.531479     1.3567   1.04491  0.42128   0.905499 0.395739  
1 1 1 38 8  39 o 1.69576  0.308355  3.5427       1.00716  5.06847      1.40279  1.91941      1.44693  1.95559  0.372071  1.12634  0.44159   
1 1 1 38 8  40 o 1.01684  0.387063  1.53576      1.09157  1.49559      1.58393  1.5721       1.50641  0.997814 0.431768  1.01007  0.428574  
1 1 1 38 8  41 o 0.770078 0.354702  0.508236     1.26868  -1.50917     1.77897  2.59611      1.80978  0.676412 0.336383  1.03572  0.454821  
1 1 1 38 8  42 o 0.72763  0.338927  0.446884     1.20089  0.941865     1.62733  -0.14499     1.77949  0.803521 0.379793  0.727939 0.357368  
1 1 1 38 9  0  o 14.2561  0.153908  203.37       4.38712  203.37       4.38712  203.37       4.38712  14.2585  0.108798  ?        ?         
1 1 1 38 9  1  o 3.23382  0.0869852 10.4596      0.562589 10.0229      0.826273 10.837       0.768145 3.1652   0.130525  3.29139  0.11669   
1 1 1 38 9  2  f 6.8576   0.0708932 47.0327      0.972314 48.3428      1.45358  45.9719      1.30803  6.95192  0.104545  6.77944  0.0964701 
1 1 1 38 9  3  o 8.1278   0.0773528 66.0716      1.25742  67.4732      1.89928  64.9778      1.67776  8.21276  0.11563   8.05973  0.104083  
1 1 1 38 9  4  o 6.62859  0.0772063 43.9453      1.02354  44.9697      1.44912  42.9254      1.44589  6.70488  0.108064  6.55067  0.110362  
1 1 1 38 9  5  o 13.5838  0.103917  184.574      2.82318  182.509      4.1225   186.398      3.87422  13.5052  0.152626  13.6489  0.141924  
1 1 1 38 9  6  o 7.35683  0.073035  54.1313      1.07461  53.3843      1.52966  54.8592      1.50999  7.3053   0.104695  7.40558  0.10195   
1 1 1 38 9  7  o 4.64448  0.0729559 21.5746      0.677685 19.9774      0.934008 23.3503      0.984788 4.46887  0.104502  4.83145  0.101914  
1 1 1 38 9  8  o 6.03104  0.0717748 36.3795      0.865754 35.1104      1.20005  37.7569      1.25021  5.92443  0.10128   6.14365  0.101748  
1 1 1 38 9  9  o 15.7331  0.120185  247.656      3.78177  248.08       5.35732  247.235      5.33919  15.7425  0.170155  15.7157  0.169868  
1 1 1 38 9  10 o 7.82919  0.079669  61.3116      1.24749  58.5414      1.75296  64.1541      1.77568  7.64923  0.114584  8.00766  0.110874  
1 1 1 38 9  11 o 7.67728  0.0797828 58.9575      1.22503  58.464       1.69003  59.5038      1.77824  7.64406  0.110545  7.71154  0.115297  
1 1 1 38 9  12 o 12.309   0.0987555 151.584      2.43116  153.477      3.51888  149.855      3.36278  12.3824  0.142092  12.2358  0.137415  
1 1 1 38 9  13 o 6.56297  0.0735362 43.0854      0.965231 41.279       1.37961  44.8176      1.35093  6.42284  0.107399  6.69272  0.100925  
1 1 1 38 9  14 o 8.37176  0.0788454 70.1129      1.32015  69.9157      1.88959  70.301       1.84515  8.35828  0.113037  8.38145  0.110073  
1 1 1 38 9  15 o 2.95339  0.107169  8.72939      0.633025 8.18129      0.899254 9.26779      0.891265 2.85783  0.157332  3.04203  0.146492  
1 1 1 38 9  16 o 6.61255  0.0797224 43.748       1.05434  44.4273      1.4319   42.9435      1.55821  6.66229  0.107463  6.5494   0.118959  
1 1 1 38 9  17 f 5.84056  0.0784397 34.1325      0.916264 33.4112      1.26542  34.9276      1.32846  5.7769   0.109524  5.90635  0.112461  
1 1 1 38 9  18 o 6.2639   0.0804073 39.2642      1.00733  39.328       1.41427  39.1986      1.4351   6.26683  0.112838  6.25637  0.114691  
1 1 1 38 9  19 o 4.5217   0.0854218 20.4643      0.772503 20.3481      1.03645  20.6096      1.15871  4.50717  0.114978  4.53516  0.127748  
1 1 1 38 9  20 o 2.05251  0.154864  4.2272       0.635719 4.65076      0.876366 3.75678      0.923575 2.15018  0.203789  1.93035  0.239225  
1 1 1 38 9  21 o 2.99681  0.112618  8.99922      0.67499  9.62117      0.925881 8.2937       0.986123 3.09617  0.14952   2.873    0.171619  
1 1 1 38 9  22 o 3.04158  0.112612  9.2731       0.685037 10.4346      0.960042 8.06826      0.977777 3.2236   0.148908  2.8326   0.172594  
1 1 1 38 9  23 f 4.60066  0.0891982 21.201       0.820741 21.7309      1.14119  20.6332      1.18125  4.65443  0.122592  4.53445  0.130253  
1 1 1 38 9  24 o 8.04935  0.0855818 64.9047      1.37776  65.2648      1.97416  64.5628      1.9237   8.06434  0.122401  8.02143  0.11991   
1 1 1 38 9  25 o 5.47268  0.101005  30.0359      1.10554  33.7         1.5852   26.566       1.54261  5.79012  0.136888  5.13816  0.150113  
1 1 1 38 9  26 o 3.20451  0.122557  10.3173      0.785469 10.9155      1.11274  9.72319      1.10891  3.28901  0.16916   3.10257  0.178708  
1 1 1 38 9  27 o 3.90547  0.115664  15.3264      0.903444 16.3374      1.34222  14.4888      1.2216   4.02169  0.166873  3.78859  0.161221  
1 1 1 38 9  28 o 4.41792  0.115877  19.6186      1.02387  18.9369      1.44073  20.3142      1.45533  4.32864  0.166418  4.48446  0.162264  
1 1 1 38 9  29 o 2.00285  0.203666  4.08403      0.815827 3.41453      1.14794  4.76727      1.15966  1.77919  0.334891  2.14938  0.269766  
1 1 1 38 9  30 f 3.03446  0.147318  9.31151      0.894061 9.08317      1.22596  9.5709       1.30668  2.98128  0.20561   3.05765  0.213674  
1 1 1 38 9  31 o 2.48878  0.168887  6.29848      0.840647 8.16044      1.19833  4.49425      1.1796   2.81923  0.212528  2.07085  0.28481   
1 1 1 38 9  32 o 1.06791  0.34195   1.22576      0.8248   1.5553       1.16611  0.895837     1.16678  1.20021  0.407109  1.02942  0.397981  
1 1 1 38 9  33 o 1.37021  0.314402  2.08787      0.843783 1.12043      1.20052  3.03234      1.18619  1.08309  0.407716  1.63046  0.371859  
1 1 1 38 9  34 o 2.1001   0.215789  4.59022      0.906356 5.68902      1.31312  3.5904       1.25258  2.30491  0.284853  1.76915  0.36637   
1 1 1 38 9  35 o 2.41544  0.194795  6.07034      0.941034 6.70013      1.32404  5.42749      1.33771  2.49673  0.265155  2.22516  0.300587  
1 1 1 38 9  36 o 0.667375 0.302525  -0.275903    0.869588 -0.819938    1.23077  0.266397     1.2288   0.720211 0.33768   0.874544 0.379388  
1 1 1 38 9  37 f 1.3645   0.33766   2.26028      0.917654 0.872598     1.26061  3.82449      1.3384   0.973083 0.401086  1.73624  0.394323  
1 1 1 38 9  38 o 1.58932  0.310557  3.04024      0.951937 4.41048      1.34191  1.65215      1.35062  1.85561  0.374702  1.11318  0.428638  
1 1 1 38 9  39 o 1.67052  0.321126  3.53145      1.03461  2.33347      1.47539  4.69051      1.45123  1.19634  0.451572  1.81345  0.409747  
1 1 1 38 9  40 o 1.46208  0.390774  3.18465      1.16498  3.25311      1.71573  3.12609      1.58686  1.28351  0.486232  1.29124  0.471627  
1 1 1 38 9  41 o 0.62714  0.306544  -0.845671    1.27815  -1.58706     1.88248  -0.21156     1.74096  0.678851 0.338761  0.742616 0.361963  
1 1 1 38 9  42 o 0.827377 0.368438  1.38646      1.23693  2.23441      1.65408  0.310684     1.86309  0.89289  0.408642  0.728463 0.358771  
1 1 1 38 10 0  o 4.89631  0.102127  24.0085      0.999105 24.0085      0.999105 24.0085      0.999105 4.89808  0.0721527 ?        ?         
1 1 1 38 10 1  f 3.15769  0.0915221 9.97328      0.577997 9.36094      0.822588 10.5704      0.812331 3.05881  0.134462  3.25053  0.124954  
1 1 1 38 10 2  o 21.9476  0.156022  482.02       6.84862  483.711      9.83539  480.428      9.54207  21.9783  0.223753  21.9044  0.217812  
1 1 1 38 10 3  o 11.988   0.0954505 143.748      2.28852  139.958      3.36765  147          3.11948  11.827   0.142371  12.1216  0.128675  
1 1 1 38 10 4  o 5.17417  0.0729612 26.7761      0.755027 25.7571      1.07641  27.763       1.05933  5.07433  0.106065  5.26829  0.100538  
1 1 1 38 10 5  o 9.27722  0.0787374 86.0825      1.46093  85.6276      2.13106  86.4859      2.00668  9.2517   0.115171  9.29817  0.107907  
1 1 1 38 10 6  o 15.8669  0.1203    251.872      3.81759  250.435      5.51016  253.198      5.29411  15.8178  0.174176  15.9054  0.166425  
1 1 1 38 10 7  o 9.10087  0.0783301 82.8422      1.42574  83.3352      2.04327  82.3745      1.99039  9.12696  0.111936  9.07427  0.109672  
1 1 1 38 10 8  o 8.79083  0.0786695 77.2956      1.38314  75.3603      1.89558  79.4992      2.02272  8.6792   0.109202  8.9142   0.113455  
1 1 1 38 10 9  o 6.83181  0.0742463 46.6837      1.01447  45.7723      1.46511  47.5231      1.40607  6.76395  0.108303  6.89229  0.102003  
1 1 1 38 10 10 o 9.42344  0.0925701 88.8349      1.74466  90.35        2.66162  87.6935      2.31017  9.50109  0.140069  9.36129  0.12339   
1 1 1 38 10 11 o 4.22128  0.0821061 17.825       0.693186 17.882       0.989007 17.77        0.971844 4.2273   0.116978  4.21409  0.115309  
1 1 1 38 10 12 o 7.36491  0.076199  54.2587      1.1224   53.476       1.57635  55.0636      1.59851  7.31047  0.107814  7.4182   0.107742  
1 1 1 38 10 13 o 2.45514  0.131475  6.03383      0.645581 6.1002       0.935138 5.9734       0.892343 2.46724  0.189511  2.44165  0.182734  
1 1 1 38 10 14 o 13.6266  0.106071  185.82       2.89077  183.216      4.04923  188.527      4.12825  13.5257  0.149687  13.7202  0.150444  
1 1 1 38 10 15 o 2.949    0.106974  8.70403      0.63093  8.64921      0.909751 8.75483      0.875759 2.9383   0.154809  2.95641  0.148112  
1 1 1 38 10 16 f 6.00613  0.0841576 36.0962      1.01092  38.9133      1.4161   33.1685      1.44362  6.2345   0.11357   5.75521  0.125419  
1 1 1 38 10 17 o 9.90399  0.0859152 98.165       1.70181  97.3429      2.40226  98.9932      2.4112   9.85863  0.121835  9.94192  0.121264  
1 1 1 38 10 18 o 3.49136  0.100194  12.2037      0.69963  11.6571      0.966356 12.8058      1.01423  3.41029  0.141682  3.57436  0.141876  
1 1 1 38 10 19 o 2.85787  0.113008  8.1814       0.645925 7.67423      0.870788 8.80183      0.963128 2.76565  0.157429  2.96154  0.162606  
1 1 1 38 10 20 o 3.34792  0.106248  11.2274      0.711421 11.3967      0.951727 11.0131      1.07101  3.37083  0.141171  3.31209  0.161681  
1 1 1 38 10 21 o 3.23074  0.106646  10.4581      0.689088 10.1976      0.920325 10.7904      1.03957  3.18762  0.144359  3.27774  0.15858   
1 1 1 38 10 22 o 3.96986  0.0937191 15.7871      0.744104 16.156       1.02295  15.3725      1.08438  4.01306  0.127453  3.9134   0.138546  
1 1 1 38 10 23 o 1.33545  0.256171  1.86689      0.659799 1.19164      0.9209   2.57913      0.945791 1.09763  0.361783  1.5632   0.313569  
1 1 1 38 10 24 f 4.82647  0.0955646 23.3486      0.92248  23.5683      1.2562   23.0915      1.35902  4.84448  0.129653  4.79324  0.141764  
1 1 1 38 10 25 f 3.98764  0.105227  15.9526      0.839216 15.6161      1.17825  16.299       1.19561  3.939    0.149561  4.02438  0.148545  
1 1 1 38 10 26 o 1.9918   0.183761  4.01124      0.732028 4.81488      1.05231  3.25771      1.01898  2.17319  0.242112  1.78083  0.286097  
1 1 1 38 10 27 o 3.32695  0.13044   11.1361      0.867935 10.6243      1.22885  11.6456      1.22605  3.23847  0.189727  3.39259  0.180694  
1 1 1 38 10 28 o 3.77946  0.126978  14.3757      0.959818 12.5073      1.31533  16.5038      1.40376  3.51216  0.187253  4.03829  0.173806  
1 1 1 38 10 29 o 4.99496  0.102756  25.0779      1.02652  28.2176      1.49176  22.254       1.41475  5.28663  0.141088  4.69169  0.150772  
1 1 1 38 10 30 o 3.57267  0.134814  12.8911      0.963292 12.8658      1.36889  12.916       1.3558   3.55077  0.19276   3.55852  0.190501  
1 1 1 38 10 31 o 1.21844  0.327354  1.63642      0.814883 2.22691      1.14987  1.04066      1.15499  1.40361  0.393741  1.0677   0.400306  
1 1 1 38 10 32 o 1.23668  0.330892  1.70572      0.834727 2.37884      1.16597  0.998012     1.19555  1.43969  0.393729  1.05662  0.404241  
1 1 1 38 10 33 o 2.86155  0.161147  8.35129      0.922262 9.32128      1.31797  7.4206       1.291    2.99805  0.219804  2.6648   0.242232  
1 1 1 38 10 34 o 1.46682  0.309677  2.40572      0.880281 1.35878      1.24397  3.4558       1.24584  1.13637  0.417329  1.73065  0.370668  
1 1 1 38 10 35 o 3.39944  0.147927  11.8424      1.00574  12.6311      1.42281  11.0548      1.42185  3.4721   0.204891  3.23729  0.219605  
1 1 1 38 10 36 o 1.45188  0.312778  2.44392      0.882275 2.20491      1.20732  2.71784      1.29248  1.32121  0.412425  1.45865  0.420141  
1 1 1 38 10 37 f 0.936468 0.357313  0.94496      0.93203  -0.465921    1.29555  2.4585       1.34185  0.764478 0.354521  1.33937  0.43671   
1 1 1 38 10 38 o 1.23901  0.362684  2.00076      0.955579 1.70293      1.36046  2.29078      1.34251  1.11859  0.430305  1.2604   0.436346  
1 1 1 38 10 39 o 0.642387 0.301408  -0.434422    0.987011 -0.82319     1.4359   -0.0861957   1.35897  0.71688  0.344455  0.776203 0.361162  
1 1 1 38 10 40 o 0.792108 0.354432  0.490422     1.15701  0.23572      1.73854  0.692908     1.55013  0.83424  0.393672  0.864456 0.395614  
1 1 1 38 10 41 o 0.98442  0.398005  1.88655      1.21573  3.02119      1.87664  1.06602      1.59588  1.05272  0.462711  0.839354 0.390868  
1 1 1 38 10 42 o 0.594153 0.29267   -0.613512    1.21356  -0.260352    1.63778  -1.0435      1.80717  0.664741 0.329263  0.638307 0.32117   
1 1 1 38 11 0  o 3.60971  0.124713  13.0795      0.897917 13.0795      0.897917 13.0795      0.897917 3.61315  0.0879806 ?        ?         
1 1 1 38 11 1  o 15.146   0.111189  229.484      3.36814  230.243      4.83479  228.768      4.69483  15.1682  0.159373  15.1198  0.155255  
1 1 1 38 11 2  o 6.95789  0.0698401 48.4192      0.97188  48.3557      1.42827  48.4739      1.32628  6.95275  0.102712  6.96139  0.0952599 
1 1 1 38 11 3  o 9.68373  0.0823443 93.7936      1.5948   93.3265      2.32792  94.2067      2.18924  9.65847  0.120512  9.70417  0.112799  
1 1 1 38 11 4  o 17.1075  0.12681   292.81       4.3388   293.672      6.2312   291.998      6.045    17.1282  0.181899  17.0798  0.176964  
1 1 1 38 11 5  o 18.1302  0.132329  328.885      4.79831  328.587      6.79591  329.181      6.77579  18.1169  0.187557  18.1333  0.186832  
1 1 1 38 11 6  o 14.0089  0.114181  196.335      3.19911  199.929      4.70778  193.252      4.36058  14.1331  0.166552  13.8958  0.156903  
1 1 1 38 11 7  f 6.77317  0.0807181 45.8865      1.09343  47.6713      1.60406  44.3374      1.49445  6.90276  0.11619   6.65712  0.112244  
1 1 1 38 11 8  o 6.22983  0.0704525 38.8184      0.877814 39.0942      1.28017  38.5736      1.20598  6.25123  0.102394  6.2096   0.0971062 
1 1 1 38 11 9  o 28.6786  0.194208  823.83       11.1393  809.494      15.6889  838.403      15.8185  28.4033  0.27618   28.907   0.273611  
1 1 1 38 11 10 o 2.05103  0.140284  4.21069      0.575455 3.55255      0.817255 4.85786      0.81042  1.8827   0.217044  2.20227  0.183997  
1 1 1 38 11 11 o 10.0332  0.0877729 100.705      1.76128  101.541      2.50224  99.8837      2.47956  10.0727  0.124209  9.99017  0.1241    
1 1 1 38 11 12 o 5.52852  0.0806486 30.5759      0.891735 31.56        1.27329  29.6287      1.24926  5.61576  0.113368  5.44117  0.114797  
1 1 1 38 11 13 o 4.67474  0.0822057 21.8625      0.768581 21.716       1.07151  22.0178      1.10305  4.65808  0.115017  4.69024  0.11759   
1 1 1 38 11 14 o 11.1052  0.0913916 123.398      2.02984  124.491      2.91923  122.375      2.82437  11.1507  0.130899  11.0558  0.127732  
1 1 1 38 11 15 o 6.11099  0.0761262 37.3619      0.930413 36.8423      1.30596  37.8974      1.32587  6.06689  0.10763   6.15315  0.10774   
1 1 1 38 11 16 o 2.78495  0.118173  7.76663      0.658214 7.32015      0.896629 8.28845      0.969325 2.70193  0.165924  2.87497  0.16858   
1 1 1 38 11 17 o 3.4844   0.0985218 12.154       0.686579 12.1047      0.958387 12.206       0.984061 3.47555  0.137876  3.4899   0.140987  
1 1 1 38 11 18 o 4.90547  0.0834793 24.0844      0.81901  22.7702      1.14485  25.4619      1.17214  4.76755  0.120067  5.04176  0.116244  
1 1 1 38 11 19 o 2.17987  0.144657  4.76588      0.630667 6.02963      0.870173 3.36757      0.915334 2.45006  0.177582  1.82698  0.250504  
1 1 1 38 11 20 o 2.32664  0.139622  5.42994      0.6497   3.5479       0.868042 7.82723      0.979684 1.87557  0.231407  2.79085  0.175517  
1 1 1 38 11 21 o 2.85819  0.115711  8.18917      0.661445 8.00008      0.91545  8.39572      0.956765 2.82166  0.162219  2.8903   0.165513  
1 1 1 38 11 22 o 4.94443  0.0864154 24.4846      0.854549 24.5392      1.17644  24.4236      1.24337  4.94661  0.118914  4.93408  0.125998  
1 1 1 38 11 23 o 2.19883  0.154767  4.86135      0.680612 4.27545      0.954148 5.46829      0.971138 2.05512  0.23214   2.3269   0.208676  
1 1 1 38 11 24 o 2.83167  0.137129  8.05915      0.776609 8.92872      1.05934  7.04879      1.14188  2.97547  0.178012  2.63842  0.216395  
1 1 1 38 11 25 o 1.47578  0.231115  2.21319      0.682149 2.28632      0.945094 2.13365      0.985588 1.4604   0.331138  1.40752  0.350932  
1 1 1 38 11 26 o 2.15862  0.183763  4.71438      0.79335  5.60763      1.19561  4.01168      1.06044  2.34143  0.255317  1.97815  0.268038  
1 1 1 38 11 27 o 0.641315 0.284793  -0.237908    0.733808 -0.842942    1.00712  0.446817     1.07139  0.668269 0.31093   0.922807 0.37341   
1 1 1 38 11 28 o 3.17403  0.140564  10.1544      0.892305 10.0758      1.19629  10.253       1.33967  3.1513   0.189809  3.17349  0.211072  
1 1 1 38 11 29 o 2.73194  0.156898  7.55577      0.85727  6.87107      1.24467  8.17373      1.18245  2.58405  0.240837  2.82822  0.209044  
1 1 1 38 11 30 o 2.32745  0.188089  5.52679      0.875537 5.09981      1.28086  5.90126      1.19953  2.20544  0.290387  2.3863   0.251336  
1 1 1 38 11 31 o 2.87541  0.154913  8.39287      0.890879 8.65922      1.2484   8.11648      1.27171  2.90025  0.215223  2.80345  0.226811  
1 1 1 38 11 32 o 3.15271  0.145401  10.0961      0.916813 10.0236      1.27919  10.1726      1.31468  3.1177   0.205149  3.13879  0.209425  
1 1 1 38 11 33 o 2.54592  0.176648  6.64124      0.899463 6.97092      1.29931  6.33786      1.2464   2.57641  0.252155  2.45589  0.253758  
1 1 1 38 11 34 f 1.95028  0.235609  4.00004      0.919006 5.14475      1.29698  2.84577      1.30238  2.18027  0.297436  1.53965  0.413933  
1 1 1 38 11 35 f 0.853387 0.341961  0.570701     0.886198 -0.276998    1.26236  1.39443      1.24438  0.803499 0.364351  1.11683  0.416144  
1 1 1 38 11 36 o 2.30587  0.200185  5.60691      0.923203 6.45936      1.29721  4.73202      1.31417  2.42587  0.26737   2.03528  0.322848  
1 1 1 38 11 37 o 0.786264 0.335782  0.336633     0.935313 1.4206       1.32775  -0.73112     1.31777  1.07517  0.42261   0.734218 0.345376  
1 1 1 38 11 38 o 0.981162 0.359849  1.19366      0.924634 1.5234       1.3017   0.857837     1.31364  1.06949  0.418936  0.938971 0.399372  
1 1 1 38 11 39 o 1.35057  0.372171  2.607        1.03695  1.48713      1.55211  3.50982      1.3936   1.00323  0.430628  1.47733  0.439548  
1 1 1 38 11 40 o 0.602171 0.292037  -0.839173    1.10162  -1.13094     1.66624  -0.612601    1.46832  0.695585 0.342629  0.700128 0.338942  
1 1 1 38 11 41 o 0.63232  0.304567  -0.481383    1.13971  -0.604407    1.66089  -0.371902    1.5668   0.708347 0.346983  0.712736 0.346478  
1 1 1 38 12 0  o 25.9257  0.283384  673.214      14.6899  673.214      14.6899  673.214      14.6899  25.936   0.200276  ?        ?         
1 1 1 38 12 1  o 10.1951  0.082255  103.962      1.67719  104.886      2.35904  103.017      2.385    10.2393  0.115195  10.1475  0.117516  
1 1 1 38 12 2  o 22.5686  0.162029  509.759      7.31354  503.668      9.9916   516.789      10.7341  22.4251  0.222777  22.7131  0.236297  
1 1 1 38 12 3  o 14.3437  0.109939  205.82       3.15386  204.791      4.34824  206.963      4.58133  14.3052  0.151981  14.3804  0.159291  
1 1 1 38 12 4  o 4.11979  0.0843446 16.9767      0.694965 17.4665      1.00277  16.524       0.964035 4.17829  0.119997  4.06403  0.118606  
1 1 1 38 12 5  f 8.15428  0.0762298 66.5058      1.2432   67.3793      1.82364  65.7474      1.69925  8.20672  0.111106  8.10692  0.104802  
1 1 1 38 12 6  f 16.6315  0.122761  276.761      4.0834   270.508      5.66869  283.504      5.88711  16.438   0.172427  16.8279  0.174921  
1 1 1 38 12 7  o 8.64113  0.0775406 74.6872      1.34008  75.355       1.98825  74.1313      1.81402  8.6784   0.114552  8.608    0.105368  
1 1 1 38 12 8  o 12.5044  0.0929182 156.42       2.32377  152.178      3.28045  160.692      3.2922   12.3311  0.133015  12.6717  0.129904  
1 1 1 38 12 9  o 9.18017  0.0821643 84.3026      1.50856  81.7519      2.20003  86.5662      2.07254  9.03847  0.121704  9.30133  0.111411  
1 1 1 38 12 10 o 4.02297  0.0814889 16.1899      0.655655 15.5712      0.956703 16.7377      0.900334 3.94454  0.121269  4.0899   0.110068  
1 1 1 38 12 11 o 3.79823  0.0852002 14.4325      0.647221 14.4938      0.900654 14.367       0.930701 3.80557  0.118334  3.78877  0.122824  
1 1 1 38 12 12 o 9.05641  0.0857943 82.0558      1.55398  80.4713      2.29027  83.4076      2.11544  8.96603  0.127719  9.12897  0.115864  
1 1 1 38 12 13 o 8.09365  0.0805126 65.5362      1.30328  64.2721      1.80117  66.9252      1.88814  8.01348  0.112383  8.17701  0.115454  
1 1 1 38 12 14 o 6.94664  0.0757706 48.2772      1.0527   47.7976      1.45976  48.797       1.51953  6.91056  0.105618  6.98225  0.108814  
1 1 1 38 12 15 o 2.64527  0.119686  7.00658      0.633205 6.48034      0.890859 7.5439       0.900188 2.54209  0.175222  2.74325  0.164073  
1 1 1 38 12 16 o 3.55527  0.0972183 12.6526      0.691275 12.7017      0.92926  12.5918      1.03439  3.56075  0.130486  3.54452  0.145914  
1 1 1 38 12 17 o 2.55366  0.123083  6.53265      0.628623 6.73726      0.870745 6.30993      0.908469 2.59137  0.168009  2.50717  0.181174  
1 1 1 38 12 18 o 2.37652  0.132731  5.66117      0.630874 5.09473      0.897149 6.21526      0.887314 2.25117  0.199263  2.48775  0.178337  
1 1 1 38 12 19 o 5.92288  0.0793931 35.1133      0.940472 35.8754      1.28934  34.2469      1.37483  5.98441  0.107725  5.84603  0.117587  
1 1 1 38 12 20 o 4.38717  0.0854478 19.2711      0.749748 20.6133      1.03738  17.8032      1.08482  4.53513  0.114371  4.21343  0.128734  
1 1 1 38 12 21 o 6.37581  0.0813627 40.703       1.03751  41.5624      1.47101  39.8523      1.46353  6.43878  0.114231  6.30467  0.116067  
1 1 1 38 12 22 o 4.13918  0.0921254 17.1636      0.762647 17.5007      1.06196  16.8045      1.09594  4.17631  0.127141  4.09163  0.133924  
1 1 1 38 12 23 o 6.44805  0.0839193 41.6487      1.08223  43.3918      1.48942  39.6989      1.57518  6.577    0.11323   6.28872  0.125239  
1 1 1 38 12 24 o 3.31171  0.116293  11.0095      0.770257 10.0351      1.05899  12.104       1.12239  3.15535  0.167809  3.46632  0.161899  
1 1 1 38 12 25 o 3.16588  0.121084  10.0693      0.766675 9.45232      1.06587  10.7308      1.1036   3.05967  0.17418   3.2609   0.169218  
1 1 1 38 12 26 o 3.5827   0.123965  12.9069      0.888256 13.7613      1.31468  12.1892      1.20486  3.68844  0.178217  3.47239  0.173491  
1 1 1 38 12 27 o 1.36711  0.279861  1.99056      0.738817 2.41796      1.02376  1.52606      1.06729  1.49236  0.3489    1.20816  0.389195  
1 1 1 38 12 28 o 3.90148  0.122798  15.3202      0.958189 14.9057      1.30478  15.8054      1.41169  3.83686  0.170032  3.9484   0.178768  
1 1 1 38 12 29 o 3.97069  0.11288   15.869       0.896423 16.1095      1.25901  15.6217      1.27665  3.98832  0.157837  3.92595  0.162591  
1 1 1 38 12 30 o 0.900145 0.339138  0.6843       0.830973 2.52895      1.19907  -1.02028     1.15265  1.49571  0.394948  0.696707 0.326683  
1 1 1 38 12 31 o 1.7359   0.243609  3.13083      0.845764 3.08802      1.18124  3.17588      1.21152  1.65766  0.36609   1.67954  0.370609  
1 1 1 38 12 32 o 1.6668   0.257307  2.91675      0.857759 4.31418      1.19529  1.43306      1.23163  2.01129  0.297145  1.16627  0.416523  
1 1 1 38 12 33 o 2.36788  0.189231  5.77757      0.896154 5.43213      1.27968  6.11002      1.25538  2.255    0.283743  2.40332  0.261175  
1 1 1 38 12 34 o 1.7741   0.264708  3.37117      0.939237 3.47152      1.30027  3.26168      1.35818  1.71112  0.388699  1.6405   0.413746  
1 1 1 38 12 35 o 2.21511  0.202924  5.15492      0.898997 3.42418      1.26753  6.90683      1.27526  1.67891  0.385418  2.53156  0.251872  
1 1 1 38 12 36 o 2.62919  0.183774  7.25157      0.966354 8.02756      1.34037  6.41162      1.3945   2.71612  0.246743  2.38909  0.291848  
1 1 1 38 12 37 o 0.596398 0.283841  -0.796575    0.922997 -1.03599     1.28869  -0.544398    1.3226   0.691056 0.330654  0.751978 0.352121  
1 1 1 38 12 38 o 0.785509 0.33726   0.421835     0.952459 0.772935     1.36546  0.0891222    1.32923  0.916779 0.398852  0.810959 0.369471  
1 1 1 38 12 39 o 0.964453 0.374867  1.30965      1.03808  1.06504      1.47648  1.54877      1.45979  0.931946 0.410022  1.00888  0.424663  
1 1 1 38 12 40 o 0.875216 0.371484  1.18989      1.13246  0.356818     1.80093  1.73473      1.45644  0.807935 0.387612  0.957526 0.414177  
1 1 1 38 12 41 o 0.718597 0.332546  0.359526     1.13224  0.518848     1.64729  0.216854     1.55884  0.780098 0.373398  0.747373 0.359056  
1 1 1 38 13 0  o 8.72857  0.111129  76.2409      1.93929  76.2409      1.93929  76.2409      1.93929  8.73009  0.0785522 ?        ?         
1 1 1 38 13 1  o 4.97218  0.0774097 24.7276      0.76979  23.4516      1.05593  26.175       1.12461  4.8417   0.109045  5.1151   0.109931  
1 1 1 38 13 2  f 12.5678  0.0978822 158.001      2.46032  155.316      3.30644  161.332      3.68274  12.4588  0.132695  12.697   0.145024  
1 1 1 38 13 3  o 10.8806  0.0931037 118.425      2.02606  120.042      2.86505  116.807      2.8655   10.953   0.130788  10.8043  0.132609  
1 1 1 38 13 4  o 5.91061  0.0699395 34.9417      0.826771 33.5454      1.15006  36.4351      1.18939  5.79077  0.0993015 6.03505  0.09854   
1 1 1 38 13 5  o 8.49146  0.0756921 72.1212      1.28547  68.9246      1.77422  75.6534      1.86504  8.30021  0.106878  8.69591  0.107237  
1 1 1 38 13 6  o 20.6161  0.146132  425.408      6.02536  419.288      8.41962  431.833      8.62643  20.458   0.205778  20.7615  0.207751  
1 1 1 38 13 7  o 10.9237  0.0867496 119.368      1.89525  118.121      2.56542  120.866      2.81213  10.8649  0.11806   10.9898  0.127943  
1 1 1 38 13 8  o 7.34013  0.0744387 53.892       1.09278  52.9685      1.53238  54.8475      1.55881  7.276    0.105304  7.40393  0.105269  
1 1 1 38 13 9  o 8.21195  0.0802387 67.4587      1.31783  66.0266      1.94107  68.6833      1.79489  8.12267  0.119485  8.28502  0.108322  
1 1 1 38 13 10 o 4.35683  0.0761457 18.9881      0.663508 18.5027      0.976612 19.4043      0.904245 4.29992  0.113562  4.40374  0.102668  
1 1 1 38 13 11 o 10.4796  0.0875088 109.873      1.83411  110.285      2.73579  109.536      2.47189  10.4962  0.130322  10.4615  0.118143  
1 1 1 38 13 12 o 3.13801  0.0975823 9.85336      0.612428 8.77218      0.859672 10.9675      0.872683 2.95968  0.145231  3.30978  0.131834  
1 1 1 38 13 13 o 3.35072  0.0921103 11.2344      0.617272 11.972       0.885979 10.5387      0.860487 3.45791  0.128109  3.24419  0.13262   
1 1 1 38 13 14 o 2.35832  0.127045  5.56939      0.599224 5.50691      0.824995 5.63916      0.871801 2.34354  0.176015  2.37123  0.183829  
1 1 1 38 13 15 o 6.73066  0.0801778 45.3318      1.0793   46.1517      1.52802  44.5155      1.52471  6.78912  0.112534  6.66755  0.114338  
1 1 1 38 13 16 o 2.90314  0.111393  8.43988      0.646778 8.37516      0.870591 8.51959      0.966231 2.89033  0.150604  2.91437  0.16577   
1 1 1 38 13 17 o 11.6945  0.0972169 136.922      2.2738   135.798      3.1951   138.076      3.23657  11.6395  0.137253  11.7366  0.137884  
1 1 1 38 13 18 o 4.22767  0.0898943 17.8936      0.760086 17.7652      1.04455  18.0382      1.10811  4.21027  0.124048  4.24199  0.130612  
1 1 1 38 13 19 o 3.52975  0.0981084 12.4781      0.692597 12.427       0.956136 12.5344      1.00462  3.52002  0.135814  3.53471  0.142108  
1 1 1 38 13 20 o 4.05644  0.0882476 16.4779      0.715942 16.8687      0.983783 16.0378      1.04388  4.1018   0.119921  3.99855  0.130532  
1 1 1 38 13 21 o 2.41128  0.13575   5.83594      0.654665 5.9422       0.920524 5.72718      0.931241 2.4289   0.189494  2.38402  0.195309  
1 1 1 38 13 22 o 4.47262  0.0871489 20.0384      0.779568 20.1613      1.08543  19.9074      1.12036  4.48282  0.121065  4.45392  0.125772  
1 1 1 38 13 23 o 2.12765  0.163024  4.55839      0.693715 6.1099       0.939296 2.69658      1.02894  2.46019  0.190899  1.59075  0.334042  
1 1 1 38 13 24 f 3.32381  0.112299  11.089       0.746523 10.7589      1.04936  11.4271      1.06224  3.26771  0.160566  3.36811  0.157691  
1 1 1 38 13 25 f 2.91398  0.131759  8.5405       0.767889 9.51692      1.12545  7.69003      1.05036  3.06756  0.183443  2.75624  0.190542  
1 1 1 38 13 26 o 4.70252  0.103679  22.1989      0.975104 22.566       1.35487  21.8044      1.40448  4.73287  0.143134  4.65039  0.151006  
1 1 1 38 13 27 o 3.96603  0.108428  15.8029      0.860059 15.3591      1.1996   16.2723      1.23373  3.90074  0.153766  4.01506  0.153638  
1 1 1 38 13 28 o 1.06876  0.337606  1.20309      0.80599  1.41292      1.11215  0.970978     1.16971  1.17159  0.397579  1.06432  0.40198   
1 1 1 38 13 29 o 1.02801  0.331202  1.10669      0.772897 1.92067      1.09016  0.284049     1.09594  1.31684  0.387997  0.884755 0.369953  
1 1 1 38 13 30 o 1.33823  0.314683  1.96724      0.829024 1.17959      1.12746  2.89437      1.22322  1.09901  0.397918  1.601    0.385963  
1 1 1 38 13 31 o 0.549036 0.263936  -1.14415     0.845622 -0.702079    1.19889  -1.58182     1.19291  0.750055 0.345203  0.648134 0.31204   
1 1 1 38 13 32 o 2.41752  0.186945  5.99998      0.903884 5.67169      1.27277  6.33403      1.28387  2.31577  0.274805  2.45351  0.26164   
1 1 1 38 13 33 o 2.30387  0.192326  5.48025      0.886189 6.08102      1.27075  4.91145      1.23647  2.39307  0.265507  2.13917  0.289007  
1 1 1 38 13 34 o 2.22241  0.207115  5.16881      0.920587 5.6396       1.26991  4.64739      1.33645  2.28083  0.278389  2.04033  0.327507  
1 1 1 38 13 35 o 0.654409 0.298413  -0.359388    0.871319 -1.06506     1.19526  0.44088      1.27286  0.680977 0.323577  0.915041 0.391276  
1 1 1 38 13 36 o 0.812107 0.33595   0.467741     0.888789 0.0182456    1.23374  0.952703     1.28149  0.818233 0.366062  0.991506 0.405812  
1 1 1 38 13 37 o 1.20255  0.349789  1.8468       0.891582 1.05562      1.24397  2.68256      1.27852  0.98129  0.400427  1.38429  0.42287   
1 1 1 38 13 38 o 0.783911 0.337769  0.44302      0.961518 0.375846     1.36873  0.508468     1.35103  0.846347 0.381811  0.862571 0.384556  
1 1 1 38 13 39 o 1.24887  0.379399  2.31952      1.03106  3.65095      1.48335  1.07494      1.43416  1.45759  0.457578  0.924298 0.405393  
1 1 1 38 13 40 o 0.703674 0.3259    0.205418     1.09025  1.29004      1.65098  -0.633318    1.45183  0.875569 0.403801  0.678008 0.330485  
1 1 1 38 13 41 o 0.618912 0.301783  -0.541224    1.21438  -1.09839     1.72787  0.00262227   1.7071   0.654981 0.326525  0.718172 0.351791  
1 1 1 38 14 0  o 12.4664  0.13313   155.517      3.31846  155.517      3.31846  155.517      3.31846  12.4685  0.0941093 ?        ?         
1 1 1 38 14 1  o 10.7037  0.0874829 114.603      1.87278  111.882      2.56543  117.707      2.74024  10.5744  0.121303  10.846   0.126325  
1 1 1 38 14 2  o 9.96638  0.084846  99.3566      1.69122  98.957       2.38971  99.7576      2.39377  9.94489  0.120148  9.98505  0.119868  
1 1 1 38 14 3  o 2.43958  0.110968  5.95448      0.54143  7.16579      0.744979 4.59838      0.788249 2.67584  0.139204  2.14291  0.18392   
1 1 1 38 14 4  o 18.4909  0.135012  342.177      4.99301  340.851      7.03476  343.524      7.0879   18.4478  0.190666  18.5199  0.191359  
1 1 1 38 14 5  o 14.2835  0.10308   204.114      2.94468  200.575      4.11487  207.83       4.21579  14.1557  0.145343  14.4094  0.146286  
1 1 1 38 14 6  o 8.17735  0.0749369 66.8865      1.22557  66.2634      1.66538  67.6227      1.81008  8.13823  0.102318  8.22096  0.110089  
1 1 1 38 14 7  o 18.8244  0.138137  354.69       5.20067  354.267      7.36819  355.11       7.3416   18.8042  0.195919  18.8267  0.194978  
1 1 1 38 14 8  o 10.1429  0.0880859 102.921      1.7869   105.511      2.58946  100.567      2.46895  10.2676  0.126099  10.0243  0.123148  
1 1 1 38 14 9  o 13.5746  0.103383  184.38       2.80675  190.064      4.23758  179.938      3.74635  13.7772  0.153789  13.4067  0.139719  
1 1 1 38 14 10 o 5.99353  0.0711582 35.9335      0.852978 34.6927      1.23303  37.0722      1.18123  5.88808  0.104705  6.08695  0.0970294 
1 1 1 38 14 11 o 9.65259  0.0860556 93.2179      1.66132  92.1037      2.48533  94.1179      2.23368  9.59169  0.129556  9.69714  0.115172  
1 1 1 38 14 12 o 5.96479  0.0724933 35.5924      0.864815 36.4839      1.25621  34.7892      1.19235  6.03778  0.104029  5.89601  0.101115  
1 1 1 38 14 13 o 7.73082  0.0772196 59.795       1.19394  61.4121      1.73763  58.3487      1.64329  7.83257  0.110923  7.63495  0.107617  
1 1 1 38 14 14 o 13.1856  0.101375  174.034      2.67339  172.161      3.8151   175.84       3.74729  13.1076  0.14553   13.2476  0.141432  
1 1 1 38 14 15 o 5.36398  0.0800161 28.7922      0.85841  29.182       1.17595  28.3477      1.25595  5.39858  0.108913  5.32025  0.118034  
1 1 1 38 14 16 o 2.94929  0.105889  8.70992      0.624592 7.92593      0.870315 9.54253      0.896899 2.81128  0.15479   3.08521  0.145355  
1 1 1 38 14 17 o 1.01826  0.282948  1.07934      0.596572 0.593666     0.838795 1.5765       0.848652 0.898802 0.340127  1.22659  0.336109  
1 1 1 38 14 18 o 7.20633  0.0824197 51.9838      1.18789  52.8716      1.56556  50.7791      1.82367  7.26493  0.107748  7.11714  0.128118  
1 1 1 38 14 19 f 1.21448  0.258298  1.54819      0.608594 1.43368      0.816885 1.69103      0.912376 1.17102  0.332963  1.2673   0.349046  
1 1 1 38 14 20 o 5.95043  0.0807224 35.452       0.960665 35.9009      1.34764  34.9882      1.3698   5.98445  0.112595  5.90745  0.115939  
1 1 1 38 14 21 o 6.71761  0.0810881 45.1887      1.08944  45.8301      1.55481  44.57        1.52696  6.76048  0.114993  6.66697  0.114517  
1 1 1 38 14 22 f 3.38931  0.104551  11.5174      0.708712 11.4764      0.944841 11.5702      1.07163  3.3798   0.139778  3.3914   0.157992  
1 1 1 38 14 23 o 3.4807   0.106243  12.1535      0.739603 12.0398      1.00165  12.2897      1.09672  3.45983  0.144754  3.49378  0.156953  
1 1 1 38 14 24 o 0.943854 0.307696  0.890521     0.666132 0.889575     0.92362  0.891548     0.961636 0.999092 0.360311  1.00874  0.36727   
1 1 1 38 14 25 o 3.17401  0.130016  10.135       0.825342 10.3121      1.19672  9.97429      1.13978  3.19122  0.187502  3.13974  0.181509  
1 1 1 38 14 26 o 2.85642  0.135917  8.21469      0.776473 8.57376      1.05359  7.7878       1.14877  2.91045  0.181001  2.76863  0.207463  
1 1 1 38 14 27 o 1.31446  0.295701  1.85527      0.758525 2.78769      1.05094  0.841347     1.09591  1.60499  0.33801   1.02088  0.388056  
1 1 1 38 14 28 f 1.38677  0.300429  2.0817       0.809759 1.12238      1.09045  3.26105      1.20905  1.08597  0.391517  1.72153  0.362541  
1 1 1 38 14 29 o 1.0067   0.333054  1.04766      0.780454 1.84629      1.10026  0.238877     1.10723  1.29083  0.39188   0.877487 0.369624  
1 1 1 38 14 30 o 4.86856  0.109633  23.881       1.06751  24.0022      1.44517  23.7355      1.5837   4.86539  0.148516  4.83103  0.163909  
1 1 1 38 14 31 f 1.63645  0.262265  2.81419      0.858365 3.25245      1.22417  2.39031      1.20391  1.69179  0.371884  1.43742  0.402777  
1 1 1 38 14 32 o 2.20869  0.196429  5.0234       0.8677   5.0178       1.22141  5.02911      1.2329   2.17484  0.280804  2.17619  0.283271  
1 1 1 38 14 33 o 2.38638  0.19223   5.8832       0.917468 6.74905      1.29544  5.01182      1.29957  2.52437  0.256585  2.1524   0.301888  
1 1 1 38 14 34 o 0.677989 0.30422   -0.206341    0.857701 -0.963328    1.22167  0.52947      1.20446  0.705206 0.331966  0.923251 0.387044  
1 1 1 38 14 35 o 1.31537  0.3274    2.04199      0.858944 2.11597      1.18661  1.96054      1.24495  1.2955   0.409679  1.24862  0.420646  
1 1 1 38 14 36 o 1.87694  0.250678  3.88523      0.941018 4.21382      1.31092  3.53592      1.35162  1.83929  0.36937   1.63596  0.412831  
1 1 1 38 14 37 o 1.94619  0.235231  4.19285      0.915611 5.28106      1.28388  3.06658      1.30614  2.11774  0.303126  1.47952  0.421139  
1 1 1 38 14 38 o 1.11319  0.378894  1.78893      1.01008  0.92311      1.47434  2.55479      1.38662  0.926268 0.408468  1.24685  0.44229   
1 1 1 38 14 39 o 0.900949 0.363667  1.11019      1.01269  1.06697      1.43036  1.15362      1.43397  0.910027 0.401685  0.923214 0.405139  
1 1 1 38 14 40 o 1.07116  0.398675  2.18982      1.14146  4.53584      1.68559  0.202728     1.5513   1.3821   0.487909  0.751314 0.360278  
1 1 1 38 14 41 o 0.783744 0.35428   1.18744      1.18434  0.312925     1.70752  1.9982       1.6441   0.704737 0.347141  0.8427   0.394089  
1 1 1 38 15 0  o 11.8951  0.128237  141.592      3.04998  141.592      3.04998  141.592      3.04998  11.8971  0.0906498 ?        ?         
1 1 1 38 15 1  o 11.5388  0.0892076 133.191      2.0587   133.514      2.99021  132.899      2.83859  11.5505  0.12944   11.5243  0.123157  
1 1 1 38 15 2  o 15.0721  0.111442  227.293      3.35932  229.432      4.73064  225.117      4.77121  15.1387  0.156243  14.9954  0.159089  
1 1 1 38 15 3  o 15.0754  0.110183  227.393      3.3221   229.263      4.63702  225.422      4.7618   15.1333  0.153206  15.0054  0.158669  
1 1 1 38 15 4  o 3.78047  0.0750785 14.2957      0.567664 14.5465      0.804126 14.0466      0.801478 3.81299  0.105446  3.74688  0.106953  
1 1 1 38 15 5  o 1.25049  0.172964  1.566        0.432579 1.82594      0.555965 1.1672       0.688623 1.34988  0.205931  1.06609  0.306542  
1 1 1 38 15 6  o 8.09587  0.0802585 65.5646      1.29953  66.0449      1.83208  65.0783      1.84358  8.12417  0.112755  8.06443  0.114303  
1 1 1 38 15 7  f 6.28899  0.0771135 39.5641      0.969932 39.3377      1.37926  39.7857      1.36424  6.26994  0.10999   6.30561  0.108177  
1 1 1 38 15 8  o 2.44477  0.133561  5.98297      0.653049 6.20978      0.954232 5.78315      0.895651 2.48934  0.191664  2.40244  0.186404  
1 1 1 38 15 9  o 4.48583  0.0906434 20.1327      0.813222 20.307       1.26634  20.0104      1.06088  4.5036   0.140592  4.47137  0.118631  
1 1 1 38 15 10 o 5.58725  0.0714099 31.2278      0.79797  30.4277      1.20065  31.8608      1.06796  5.51395  0.108874  5.64286  0.0946297 
1 1 1 38 15 11 o 5.87715  0.0737579 34.5544      0.866972 33.1873      1.23494  35.883       1.21742  5.75843  0.107229  5.98798  0.101655  
1 1 1 38 15 12 o 3.96526  0.0789286 15.7312      0.625945 16.0076      0.909791 15.4828      0.862539 3.99885  0.113757  3.93289  0.109657  
1 1 1 38 15 13 o 3.78424  0.0926822 14.332       0.701463 16.3363      0.970052 12.1352      1.01555  4.0391   0.120083  3.4801   0.145908  
1 1 1 38 15 14 o 1.0133   0.274801  1.06927      0.570921 1.30272      0.811155 0.840092     0.803704 1.12754  0.335315  0.965732 0.337298  
1 1 1 38 15 15 o 6.82835  0.0811486 46.6615      1.10822  47.5198      1.56576  45.7998      1.56877  6.88836  0.113653  6.76233  0.115993  
1 1 1 38 15 16 o 4.25489  0.083993  18.1207      0.714762 17.9927      0.988654 18.2608      1.03456  4.23805  0.11664   4.2692   0.121166  
1 1 1 38 15 17 o 0.820132 0.283852  0.613996     0.568086 0.747954     0.779115 0.461932     0.830097 0.927616 0.331284  0.857904 0.334855  
1 1 1 38 15 18 f 4.43124  0.0849364 19.6585      0.752747 19.4333      1.06209  19.8858      1.06702  4.40316  0.120605  4.4542   0.119777  
1 1 1 38 15 19 o 3.6769   0.0974752 13.5429      0.716812 12.7184      0.955803 14.6027      1.08364  3.56045  0.134225  3.81434  0.142048  
1 1 1 38 15 20 o 4.53264  0.0871531 20.5763      0.790067 21.0183      1.0772   20.0618      1.16229  4.5782   0.117644  4.47145  0.129968  
1 1 1 38 15 21 o 3.02217  0.11097   9.15851      0.670741 8.68477      0.895877 9.7628       1.01181  2.93945  0.152389  3.11547  0.162385  
1 1 1 38 15 22 o 4.16452  0.0958262 17.3843      0.798141 18.8905      1.08535  15.6104      1.17779  4.33764  0.125108  3.93974  0.149476  
1 1 1 38 15 23 o 6.32615  0.0810252 40.0969      1.02516  39.6996      1.42908  40.5181      1.47143  6.28901  0.113617  6.35304  0.115805  
1 1 1 38 15 24 o 0.900209 0.307216  0.776696     0.664058 0.722269     0.946606 0.829435     0.931808 0.956335 0.361493  0.982409 0.361151  
1 1 1 38 15 25 o 1.59017  0.235239  2.57893      0.748137 3.31752      1.05192  1.82292      1.06424  1.79369  0.293227  1.3022   0.383252  
1 1 1 38 15 26 o 0.539202 0.253045  -0.703713    0.696954 -1.20461     0.966538 -0.161159    1.00592  0.604132 0.288414  0.774727 0.339655  
1 1 1 38 15 27 o 3.4066   0.125123  11.6854      0.85249  12.0561      1.1807   11.2817      1.23215  3.44981  0.171126  3.33361  0.184807  
1 1 1 38 15 28 f 2.6037   0.155672  6.86397      0.810646 6.07304      1.09353  7.82887      1.20782  2.4328   0.224747  2.76412  0.218483  
1 1 1 38 15 29 o 4.65548  0.106424  21.8176      0.990908 21.4835      1.32418  22.2429      1.49382  4.60715  0.143709  4.68134  0.15955   
1 1 1 38 15 30 o 4.67421  0.113746  22.0335      1.06334  21.694       1.46178  22.415       1.54965  4.61977  0.15821   4.69251  0.165119  
1 1 1 38 15 31 o 3.24775  0.147121  10.7195      0.955623 10.0862      1.35883  11.3392      1.3442   3.12082  0.217704  3.31662  0.202646  
1 1 1 38 15 32 o 1.2131   0.343172  1.66717      0.869897 1.63866      1.17483  1.70176      1.29427  1.20873  0.408628  1.23292  0.428281  
1 1 1 38 15 33 o 1.57147  0.290799  2.73945      0.879575 2.24311      1.19556  3.32505      1.29864  1.3687   0.407098  1.67317  0.394114  
1 1 1 38 15 34 o 0.901712 0.344559  0.775214     0.867728 1.49153      1.19556  -0.022139    1.26138  1.1351   0.409881  0.8392   0.372939  
1 1 1 38 15 35 o 1.35974  0.324687  2.18964      0.87207  1.49714      1.2518   2.84266      1.21559  1.12188  0.417511  1.49881  0.398527  
1 1 1 38 15 36 o 1.67589  0.278749  3.19527      0.934307 1.23005      1.29526  5.3269       1.34899  1.02962  0.41307   2.12549  0.317337  
1 1 1 38 15 37 o 1.4891   0.312177  2.71999      0.89993  2.34156      1.25388  3.12202      1.29237  1.27217  0.422153  1.48341  0.417849  
1 1 1 38 15 38 o 0.819112 0.352157  0.634286     1.04087  -0.762961    1.48064  1.99943      1.46354  0.724972 0.348693  1.09687  0.439484  
1 1 1 38 15 39 o 0.588288 0.283875  -0.708892    1.00122  -1.1103      1.41069  -0.301451    1.42125  0.651988 0.319474  0.72027  0.345259  
1 1 1 38 15 40 o 0.574814 0.280664  -0.90117     1.06352  -1.73476     1.5994   -0.240463    1.42392  0.629769 0.313984  0.7033   0.339167  
1 1 1 38 16 0  o 3.95091  0.11772   15.6564      0.928332 15.6564      0.928332 15.6564      0.928332 3.95387  0.0830938 ?        ?         
1 1 1 38 16 1  o 2.41591  0.120429  5.84068      0.581893 5.4029       0.814792 6.29638      0.831299 2.32269  0.175398  2.5076   0.165756  
1 1 1 38 16 2  o 17.6961  0.129877  313.41       4.59664  311.138      6.30809  315.983      6.71194  17.6253  0.17895   17.7605  0.188957  
1 1 1 38 16 3  f 3.1668   0.0899222 10.0326      0.569531 10.1487      0.800589 9.9137       0.810378 3.18446  0.125703  3.14731  0.128741  
1 1 1 38 16 4  o 14.7897  0.112486  218.878      3.32727  217.694      4.52484  220.272      4.90962  14.7456  0.15343   14.8312  0.165517  
1 1 1 38 16 5  o 2.81776  0.0976063 7.94384      0.550063 8.57726      0.70313  6.94472      0.883077 2.92758  0.120087  2.63332  0.167674  
1 1 1 38 16 6  o 8.13419  0.0811237 66.1893      1.31975  65.8334      1.86558  66.5458      1.86724  8.1108   0.115006  8.1546   0.11449   
1 1 1 38 16 7  o 7.07797  0.0784048 50.1157      1.10989  50.3318      1.57335  49.9017      1.56593  7.09193  0.110925  7.06157  0.110877  
1 1 1 38 16 8  o 15.1112  0.117659  228.546      3.55594  227.696      5.03827  229.389      5.01949  15.0764  0.167091  15.1326  0.16585   
1 1 1 38 16 9  o 6.78471  0.0786549 46.0512      1.0673   46.1295      1.56358  45.983       1.46048  6.78884  0.115158  6.77843  0.10773   
1 1 1 38 16 10 o 11.6756  0.10406   136.426      2.42992  136.888      3.53946  136.014      3.3419   11.6901  0.151387  11.6537  0.143383  
1 1 1 38 16 11 o 12.7629  0.0977942 163.015      2.49626  160.049      3.55651  165.895      3.50456  12.6409  0.140674  12.8704  0.136148  
1 1 1 38 16 12 o 1.99581  0.129597  3.98939      0.517302 4.34777      0.740801 3.64832      0.722687 2.08212  0.177896  1.90693  0.18949   
1 1 1 38 16 13 o 6.6836   0.075416  44.697       1.0081   44.675       1.41948  44.7194      1.43193  6.68003  0.106248  6.68328  0.107128  
1 1 1 38 16 14 o 5.60044  0.0754396 31.3849      0.844989 31.3164      1.19147  31.4542      1.19856  5.59255  0.106523  5.60482  0.106922  
1 1 1 38 16 15 o 6.16822  0.0776268 38.0755      0.957638 40.6003      1.37987  35.7294      1.33011  6.36718  0.108358  5.9728   0.111348  
1 1 1 38 16 16 o 7.99712  0.0816499 64.0134      1.30593  65.3138      1.82694  62.6548      1.86745  8.07447  0.11313   7.90777  0.118077  
1 1 1 38 16 17 o 3.82822  0.0893465 14.6731      0.684075 14.7224      0.983264 14.6268      0.952334 3.83212  0.128293  3.81993  0.124653  
1 1 1 38 16 18 o 1.71933  0.175148  2.97178      0.602276 2.24426      0.848062 3.71207      0.855479 1.46057  0.300614  1.91839  0.222968  
1 1 1 38 16 19 o 1.18813  0.266857  1.48702      0.618566 1.38266      0.829048 1.61806      0.929035 1.15257  0.33796   1.24139  0.355763  
1 1 1 38 16 20 o 6.00145  0.079095  36.0648      0.949369 34.2418      1.26752  38.3943      1.43285  5.84448  0.108437  6.18766  0.115783  
1 1 1 38 16 21 o 2.5883   0.132069  6.7271       0.683671 6.5012       0.894539 7.04437      1.06013  2.5404   0.176063  2.6415   0.200667  
1 1 1 38 16 22 o 4.39233  0.0918602 19.3376      0.80696  19.3025      1.11016  19.3771      1.17503  4.38381  0.12662   4.39116  0.133795  
1 1 1 38 16 23 o 0.736286 0.290807  0.323925     0.631532 0.022171     0.852356 0.691205     0.940356 0.751645 0.320757  0.947432 0.35966   
1 1 1 38 16 24 o 4.38834  0.102215  19.3275      0.897107 18.1633      1.26922  20.4898      1.26818  4.24524  0.149488  4.51096  0.140566  
1 1 1 38 16 25 o 0.503273 0.241222  -0.950338    0.693385 -1.47034     0.955031 -0.370684    1.00833  0.570112 0.275539  0.740016 0.331006  
1 1 1 38 16 26 o 0.797204 0.306581  0.460211     0.690482 -0.623577    0.942575 1.71533      1.01435  0.670431 0.307518  1.26236  0.374879  
1 1 1 38 16 27 o 0.995159 0.331997  1.00551      0.775507 0.243376     1.04771  1.92911      1.15336  0.86355  0.361445  1.32524  0.401005  
1 1 1 38 16 28 o 3.73466  0.114431  14.0485      0.854721 14.9467      1.18373  13.0702      1.23545  3.84089  0.154095  3.58589  0.172265  
1 1 1 38 16 29 o 1.72801  0.230166  3.08207      0.79546  4.07682      1.08661  1.93341      1.16765  1.97396  0.275237  1.31486  0.404623  
1 1 1 38 16 30 o 3.30568  0.140355  11.0771      0.927938 11.6968      1.29221  10.4173      1.33336  3.37741  0.191302  3.17941  0.209688  
1 1 1 38 16 31 o 1.99117  0.226402  4.11947      0.901613 5.53488      1.28217  2.73497      1.26809  2.28508  0.280552  1.53148  0.406966  
1 1 1 38 16 32 o 1.11882  0.355102  1.40215      0.890913 0.529475     1.19523  2.49324      1.33645  0.941192 0.389481  1.44287  0.430674  
1 1 1 38 16 33 o 0.961069 0.350324  0.945719     0.87517  1.02282      1.19807  0.857505     1.28149  1.03306  0.402476  1.01185  0.40882   
1 1 1 38 16 34 o 2.47358  0.187126  6.38561      0.925741 6.59267      1.27791  6.15695      1.3429   2.46646  0.259057  2.3653   0.283875  
1 1 1 38 16 35 o 1.41746  0.326927  2.40006      0.908548 2.62616      1.2585   2.15396      1.31299  1.41585  0.416786  1.27739  0.431988  
1 1 1 38 16 36 o 0.865169 0.344219  0.744719     0.890796 0.507651     1.27024  0.974133     1.24956  0.88536  0.38493   0.967649 0.399167  
1 1 1 38 16 37 o 1.558    0.319539  3.04366      0.961433 2.56826      1.41261  3.45393      1.31227  1.27692  0.447061  1.54675  0.41535   
1 1 1 38 16 38 o 0.883527 0.360966  0.972095     1.01208  2.2467       1.45672  -0.217237    1.40715  1.14087  0.443939  0.759672 0.357217  
1 1 1 38 16 39 o 0.719482 0.324121  0.381785     0.982904 -0.152551    1.4129   0.882883     1.36825  0.72103  0.34529   0.831967 0.377918  
1 1 1 38 16 40 o 0.564048 0.277823  -1.08769     1.10286  -0.62256     1.61023  -1.49867     1.51361  0.689056 0.338815  0.620256 0.308708  
1 1 1 38 17 0  o 9.84667  0.112999  97.0278      2.22467  97.0278      2.22467  97.0278      2.22467  9.84847  0.0798759 ?        ?         
1 1 1 38 17 1  o 4.06416  0.0798944 16.523       0.649407 16.3324      0.91697  16.7148      0.919838 4.03996  0.113487  4.08701  0.112532  
1 1 1 38 17 2  o 10.105   0.0844858 102.151      1.70747  99.5019      2.40186  104.857      2.42779  9.97122  0.12044   10.2362  0.118589  
1 1 1 38 17 3  o 8.92781  0.0820661 79.7351      1.46534  78.1838      2.05596  81.3367      2.08905  8.83891  0.116302  9.0154   0.11586   
1 1 1 38 17 4  o 13.3887  0.105973  179.37       2.83769  177.315      4.01996  181.411      4.00628  13.3075  0.151041  13.4606  0.148815  
1 1 1 38 17 5  o 4.20668  0.0875042 17.704       0.736203 17.7161      1.07922  17.6934      1.00684  4.20704  0.128264  4.20461  0.119731  
1 1 1 38 17 6  o 6.44481  0.0781421 41.5509      1.00722  42.3731      1.46076  40.8057      1.39067  6.50697  0.112246  6.38563  0.108891  
1 1 1 38 17 7  o 8.79805  0.0817312 77.4387      1.43815  77.9215      2.10129  77.0132      1.97252  8.82329  0.119076  8.77214  0.112431  
1 1 1 38 17 8  o 4.61578  0.0843095 21.3157      0.778307 19.7296      1.10805  22.8602      1.09348  4.43943  0.124797  4.77909  0.114402  
1 1 1 38 17 9  o 3.69431  0.0984267 13.6576      0.727238 13.7336      1.06286  13.5908      0.997214 3.70306  0.143511  3.68407  0.135341  
1 1 1 38 17 10 o 7.23667  0.0785554 52.3954      1.13696  52.4761      1.57772  52.3082      1.63989  7.24055  0.10895   7.22867  0.11343   
1 1 1 38 17 11 o 6.92664  0.0760921 48.0035      1.05413  47.1272      1.49205  48.8769      1.48947  6.86124  0.10873   6.98759  0.10658   
1 1 1 38 17 12 o 2.33911  0.113446  5.47873      0.530723 4.63738      0.864105 5.98835      0.672517 2.149    0.201048  2.44474  0.137544  
1 1 1 38 17 13 o 5.72758  0.0802318 32.8285      0.919068 31.5943      1.3611   33.8628      1.24603  5.61633  0.121173  5.81549  0.10713   
1 1 1 38 17 14 o 4.2954   0.083697  18.4661      0.719024 19.2353      1.00311  17.6532      1.03118  4.38233  0.114449  4.19773  0.122826  
1 1 1 38 17 15 o 7.49308  0.0789492 56.1939      1.18315  57.8832      1.6646   54.4692      1.68197  7.6019   0.109486  7.3738   0.114051  
1 1 1 38 17 16 o 6.77091  0.0779059 45.8863      1.05499  45.6393      1.46707  46.1509      1.51819  6.74975  0.108676  6.78712  0.111844  
1 1 1 38 17 17 o 3.73956  0.0921775 14.0038      0.689406 14.094       0.97358  13.9131      0.97636  3.74896  0.129847  3.72472  0.131065  
1 1 1 38 17 18 o 2.85252  0.113303  8.15621      0.646398 7.15513      0.903182 9.20742      0.925518 2.66783  0.169273  3.02782  0.152836  
1 1 1 38 17 19 o 0.752298 0.288749  0.390412     0.611618 -0.193038    0.840494 1.04711      0.891692 0.705921 0.309974  1.04698  0.355999  
1 1 1 38 17 20 o 3.46179  0.103669  12.0129      0.717761 12.1739      0.951394 11.8001      1.09351  3.48188  0.136621  3.42541  0.159618  
1 1 1 38 17 21 o 3.40901  0.10566   11.6547      0.720394 10.5687      0.948609 13.1345      1.10728  3.24207  0.146297  3.6133   0.153223  
1 1 1 38 17 22 o 2.89004  0.121007  8.38787      0.699427 8.58464      0.958566 8.16384      1.02284  2.91862  0.164216  2.844    0.179824  
1 1 1 38 17 23 o 3.75235  0.09964   14.1251      0.747768 13.6571      1.02507  14.6573      1.09322  3.68394  0.139127  3.81574  0.143252  
1 1 1 38 17 24 o 1.7748   0.205947  3.19803      0.731027 3.04613      1.01919  3.35899      1.04911  1.69091  0.313143  1.80533  0.29056   
1 1 1 38 17 25 o 0.474449 0.229784  -1.10537     0.677566 -1.90327     0.962582 -0.321757    0.953922 0.53249  0.261872  0.724811 0.323137  
1 1 1 38 17 26 o 0.805093 0.306681  0.491682     0.685674 1.04127      0.93434  -0.149733    1.00938  1.03889  0.3636    0.776757 0.340394  
1 1 1 38 17 27 o 1.11997  0.321796  1.35499      0.759136 0.0588463    1.03373  2.87221      1.11842  0.820735 0.351835  1.61543  0.355765  
1 1 1 38 17 28 o 0.689687 0.294623  0.0408541    0.720435 -0.659688    1.00094  0.793864     1.03775  0.683778 0.314993  0.982032 0.376354  
1 1 1 38 17 29 o 3.17715  0.135653  10.2117      0.861979 10.9641      1.1734   9.32969      1.27042  3.27786  0.178988  3.012    0.210893  
1 1 1 38 17 30 o 0.965389 0.341974  0.928255     0.828696 2.05265      1.16094  -0.239842    1.18329  1.3377   0.40183   0.808538 0.360195  
1 1 1 38 17 31 o 1.5973   0.259912  2.68427      0.830314 3.05864      1.1525   2.28026      1.19726  1.64151  0.360835  1.40111  0.40463   
1 1 1 38 17 32 o 2.4385   0.193851  6.14523      0.945412 5.5913       1.25905  6.86132      1.43153  2.28853  0.275077  2.53057  0.282848  
1 1 1 38 17 33 o 1.16824  0.342381  1.59362      0.851094 0.908632     1.16738  2.37081      1.24347  0.995577 0.394696  1.38327  0.415938  
1 1 1 38 17 34 o 1.15717  0.352745  1.59937      0.890262 1.26211      1.27044  1.92479      1.24791  1.07616  0.415442  1.24068  0.421146  
1 1 1 38 17 35 o 0.735864 0.321504  0.115665     0.894877 0.639321     1.21535  -0.504429    1.32253  0.914722 0.386371  0.768292 0.357021  
1 1 1 38 17 36 o 1.52013  0.304134  2.77298      0.89198  3.71872      1.24602  1.77889      1.27747  1.69274  0.377737  1.14153  0.422378  
1 1 1 38 17 37 o 1.07161  0.371061  1.6096       0.970872 0.504306     1.42447  2.56846      1.32677  0.866957 0.390395  1.27375  0.434249  
1 1 1 38 17 38 o 0.830381 0.354717  0.73478      1.04426  0.820086     1.43751  0.639461     1.51952  0.884016 0.395324  0.868079 0.395371  
1 1 1 38 17 39 o 0.944911 0.368197  1.52627      1.00277  2.39141      1.48254  0.7967       1.36144  1.04189  0.432622  0.806624 0.369818  
1 1 1 38 17 40 o 0.78934  0.35102   1.02928      1.11932  0.642067     1.60869  1.39266      1.55841  0.754248 0.362941  0.82476  0.384914  
1 1 1 38 18 0  o 0.653713 0.372521  0.56719      0.750435 0.56719      0.750435 0.56719      0.750435 0.622187 0.32653   ?        ?         
1 1 1 38 18 1  o 8.5979   0.0791344 73.9506      1.36078  77.3635      1.92928  70.5718      1.91962  8.7926   0.10971   8.39754  0.114297  
1 1 1 38 18 2  o 6.84616  0.0762123 46.8858      1.04352  46.508       1.44304  47.2998      1.51082  6.81745  0.105834  6.87506  0.109877  
1 1 1 38 18 3  o 14.6714  0.108942  215.402      3.19666  216.895      4.5986   214.005      4.44674  14.7166  0.156238  14.6188  0.15209   
1 1 1 38 18 4  o 2.34215  0.0987993 5.48893      0.462805 5.30323      0.713186 5.62401      0.608272 2.30117  0.154961  2.3703   0.128311  
1 1 1 38 18 5  o 14.3499  0.109497  206.075      3.14254  206.709      4.47655  205.459      4.4126   14.3662  0.155801  14.323   0.154039  
1 1 1 38 18 6  o 2.51368  0.125202  6.32516      0.629439 6.09603      0.89996  6.54458      0.880674 2.46626  0.182454  2.55569  0.172297  
1 1 1 38 18 7  o 6.21809  0.0851096 38.6843      1.05844  41.71        1.75995  36.9698      1.32479  6.45407  0.136344  6.07772  0.108988  
1 1 1 38 18 8  o 10.4268  0.0921584 108.787      1.92183  109.083      2.87112  108.547      2.58681  10.4368  0.137548  10.4125  0.124217  
1 1 1 38 18 9  o 5.99931  0.0774869 36.0094      0.929736 36.0681      1.34232  35.9553      1.28899  6.00258  0.111812  5.99342  0.107534  
1 1 1 38 18 10 o 5.11837  0.079669  26.213       0.815552 26.2654      1.17188  26.1637      1.1357   5.12191  0.114399  5.11216  0.111078  
1 1 1 38 18 11 o 5.64134  0.0804077 31.846       0.907215 31.3457      1.25213  32.3989      1.31627  5.59513  0.111894  5.6881   0.115704  
1 1 1 38 18 12 o 7.045    0.0800281 49.6669      1.1276   50.1577      1.61139  49.196       1.57844  7.07718  0.113844  7.00911  0.112599  
1 1 1 38 18 13 o 10.614   0.0889076 112.763      1.88734  112.241      2.69459  113.266      2.64431  10.5842  0.127293  10.6329  0.124346  
1 1 1 38 18 14 o 5.89876  0.0792803 34.8243      0.935311 34.0767      1.27591  35.6928      1.37511  5.83289  0.109372  5.96909  0.115186  
1 1 1 38 18 15 o 4.24758  0.0825796 18.0597      0.701527 18.0135      1.00033  18.1044      0.984091 4.23995  0.117965  4.2508   0.115754  
1 1 1 38 18 16 o 4.29622  0.0817435 18.4771      0.702376 19.7055      0.965567 17.0965      1.02359  4.43489  0.10886   4.12972  0.12393   
1 1 1 38 18 17 o 4.29354  0.0877903 18.4598      0.753862 18.7654      1.08256  18.1721      1.05041  4.32584  0.125127  4.25708  0.123372  
1 1 1 38 18 18 o 5.40338  0.0812906 29.2348      0.878489 29.1933      1.22979  29.278       1.25535  5.39617  0.11395   5.40372  0.116156  
1 1 1 38 18 19 o 4.65307  0.0873094 21.6862      0.812515 21.3748      1.10718  22.0497      1.1961   4.61628  0.119922  4.68767  0.127579  
1 1 1 38 18 20 o 0.717212 0.289834  0.23582      0.644267 0.491414     0.864675 -0.0831742   0.965981 0.873229 0.341569  0.779985 0.337343  
1 1 1 38 18 21 o 2.54139  0.131405  6.48965      0.667903 6.74927      0.892103 6.15851      1.00751  2.58737  0.172396  2.46751  0.204155  
1 1 1 38 18 22 o 1.05517  0.286998  1.17918      0.6216   1.74521      0.844139 0.508686     0.918742 1.27614  0.328786  0.892399 0.351297  
1 1 1 38 18 23 o 2.93605  0.12477   8.6667       0.732665 8.48093      1.00843  8.87439      1.06628  2.89697  0.174049  2.96234  0.179972  
1 1 1 38 18 24 o 3.42789  0.11597   11.8069      0.795068 11.8968      1.10601  11.7108      1.14373  3.43313  0.161079  3.4048   0.167958  
1 1 1 38 18 25 o 3.83005  0.108564  14.738       0.831614 14.5983      1.16578  14.8828      1.18666  3.80298  0.153272  3.83956  0.154531  
1 1 1 38 18 26 o 2.92255  0.131706  8.61228      0.769835 9.20274      1.07077  7.9805       1.10759  3.01099  0.17781   2.79897  0.197856  
1 1 1 38 18 27 o 2.14071  0.181624  4.66329      0.777609 5.18572      1.0558   4.04392      1.14958  2.24424  0.235225  1.96651  0.292291  
1 1 1 38 18 28 o 1.29105  0.288632  1.81222      0.726397 1.3106       0.997102 2.37952      1.06037  1.11818  0.376453  1.45859  0.364209  
1 1 1 38 18 29 o 1.82841  0.221452  3.45219      0.809809 3.74504      1.09235  3.09486      1.20664  1.88309  0.290043  1.65578  0.373283  
1 1 1 38 18 30 o 1.87529  0.221227  3.64644      0.829729 4.77298      1.15258  2.43459      1.19542  2.12666  0.270984  1.44951  0.399671  
1 1 1 38 18 31 o 2.42306  0.186085  6.04241      0.901789 6.59253      1.2448   5.43482      1.3082   2.50343  0.24862   2.25288  0.290341  
1 1 1 38 18 32 o 2.59041  0.176856  6.91684      0.916263 7.72151      1.27881  6.06797      1.31346  2.70574  0.236315  2.37602  0.2764    
1 1 1 38 18 33 o 2.59565  0.179577  7.00066      0.932239 7.31026      1.21543  6.55827      1.45289  2.62012  0.231942  2.43354  0.298513  
1 1 1 38 18 34 o 1.09281  0.348763  1.42154      0.858517 1.80918      1.23943  1.06402      1.19031  1.20152  0.418943  1.01539  0.399814  
1 1 1 38 18 35 o 1.78095  0.253767  3.52603      0.903892 2.85971      1.25107  4.2537       1.30739  1.45671  0.411371  1.84066  0.36815   
1 1 1 38 18 36 o 0.746992 0.318811  0.319335     0.842228 -1.39412     1.19075  2.03477      1.19143  0.62212  0.302309  1.20492  0.411506  
1 1 1 38 18 37 o 1.0648   0.368323  1.62131      0.956391 1.90733      1.36721  1.34723      1.33833  1.09227  0.429     0.98211  0.409623  
1 1 1 38 18 38 o 0.880729 0.359986  1.07265      1.00705  0.396229     1.4894   1.64234      1.36685  0.81487  0.378746  0.989788 0.413468  
1 1 1 38 18 39 o 0.851509 0.357316  1.15031      1.02821  1.15564      1.54639  1.1461       1.37658  0.849787 0.391488  0.847314 0.38254   
1 1 1 38 18 40 o 0.583691 0.285399  -0.524015    1.11029  -2.02516     1.56915  0.981097     1.57122  0.567661 0.286941  0.750474 0.36053   
1 1 1 38 19 0  o 1.8873   0.209184  3.6961       0.767465 3.6961       0.767465 3.6961       0.767465 1.9057   0.144285  ?        ?         
1 1 1 38 19 1  f 7.48837  0.076528  56.0965      1.14614  54.2965      1.63545  57.8337      1.60671  7.36573  0.111017  7.60214  0.105675  
1 1 1 38 19 2  o 15.8779  0.119597  252.337      3.79791  253.572      5.59086  251.28       5.17529  15.9081  0.175724  15.8381  0.163381  
1 1 1 38 19 3  o 7.79203  0.0706736 60.7355      1.10138  61.2835      1.60526  60.2481      1.51393  7.82566  0.102564  7.75953  0.0975527 
1 1 1 38 19 4  o 10.0006  0.0905476 100.067      1.81106  99.2837      2.65958  100.744      2.47304  9.95808  0.133539  10.032   0.123258  
1 1 1 38 19 5  o 5.35282  0.076178  28.6643      0.815533 29.8939      1.2245   27.684       1.0933   5.4651   0.112029  5.25955  0.103935  
1 1 1 38 19 6  o 3.68423  0.0943926 13.5824      0.695528 14.534       1.01679  12.7456      0.953511 3.80983  0.133442  3.56773  0.13363   
1 1 1 38 19 7  o 11.1511  0.0986707 124.441      2.20057  125.051      3.22139  123.907      3.01318  11.1735  0.144153  11.1233  0.135445  
1 1 1 38 19 8  o 12.8989  0.107975  166.545      2.78551  168.196      4.15736  165.201      3.75231  12.9548  0.160456  12.8414  0.146102  
1 1 1 38 19 9  o 8.06129  0.0812589 65.0248      1.3101   64.2293      1.90077  65.7448      1.80823  8.00903  0.118664  8.10359  0.11157   
1 1 1 38 19 10 o 14.2147  0.112553  202.323      3.19981  199.296      4.482    205.469      4.56971  14.0988  0.158949  14.3154  0.159608  
1 1 1 38 19 11 o 2.24636  0.142735  5.0574       0.641267 4.58531      0.900084 5.54404      0.913849 2.13614  0.21068   2.34971  0.19446   
1 1 1 38 19 12 o 1.77981  0.167234  3.17814      0.595289 3.58766      0.852714 2.78882      0.831421 1.88843  0.225773  1.66385  0.249848  
1 1 1 38 19 13 o 6.49227  0.0727206 42.1786      0.944243 41.5328      1.33204  42.831       1.33871  6.4401   0.103418  6.54007  0.102347  
1 1 1 38 19 14 o 1.41613  0.18783   2.01548      0.531984 2.05035      0.745053 1.97921      0.759844 1.40079  0.275763  1.37365  0.286018  
1 1 1 38 19 15 o 7.97443  0.0825328 63.6584      1.3163   64.9852      1.87248  62.3622      1.85078  8.05286  0.116262  7.88852  0.117308  
1 1 1 38 19 16 o 3.90802  0.0925108 15.2952      0.723068 16.0955      1.0427   14.5538      1.00357  4.00604  0.130141  3.8092   0.13173   
1 1 1 38 19 17 o 1.50317  0.190259  2.27517      0.571984 2.47139      0.813512 2.08334      0.804379 1.53846  0.274245  1.40584  0.295451  
1 1 1 38 19 18 o 1.83445  0.166703  3.38456      0.611617 2.86591      0.85474  3.92877      0.875549 1.68177  0.254119  1.97215  0.221979  
1 1 1 38 19 19 o 8.31336  0.0867395 69.2308      1.44219  67.2762      2.0168   71.2762      2.06313  8.18807  0.123155  8.42815  0.122395  
1 1 1 38 19 20 o 5.93297  0.0830532 35.2637      0.985504 34.7155      1.39071  35.8167      1.39673  5.88129  0.118232  5.97408  0.116899  
1 1 1 38 19 21 o 3.35721  0.10599   11.3079      0.711659 11.3385      0.961757 11.2708      1.05799  3.35729  0.143234  3.34508  0.158141  
1 1 1 38 19 22 o 3.13886  0.113046  9.89299      0.709674 9.90119      0.9711   9.8836       1.03967  3.13435  0.154912  3.12975  0.166094  
1 1 1 38 19 23 o 4.45516  0.100896  19.9213      0.899019 18.4667      1.28164  21.3303      1.26141  4.27992  0.149727  4.60283  0.137026  
1 1 1 38 19 24 o 4.81034  0.0963634 23.2207      0.927081 21.7459      1.27277  24.8875      1.3531   4.64671  0.136954  4.97127  0.136092  
1 1 1 38 19 25 o 1.09206  0.301647  1.27561      0.680214 0.982892     0.949807 1.58381      0.974607 1.02573  0.365833  1.21655  0.368725  
1 1 1 38 19 26 o 2.99976  0.134256  9.08021      0.80547  9.95236      1.08817  8.02325      1.19794  3.13111  0.173768  2.80058  0.213873  
1 1 1 38 19 27 o 0.623387 0.281875  -0.343165    0.750254 -0.340307    0.99988  -0.346848    1.13495  0.732759 0.32864   0.783474 0.35079   
1 1 1 38 19 28 o 1.6294   0.22991   2.74167      0.749231 2.32491      1.02891  3.21209      1.09314  1.44109  0.358113  1.71054  0.331358  
1 1 1 38 19 29 o 1.43505  0.289802  2.24899      0.802636 1.0891       1.08439  3.6544       1.19366  1.05918  0.389578  1.81436  0.341481  
1 1 1 38 19 30 o 1.74233  0.238246  3.1674       0.830208 2.54996      1.1218   3.91507      1.23445  1.49055  0.376078  1.87392  0.34207   
1 1 1 38 19 31 f 3.11872  0.149793  9.9182       0.934328 10.8616      1.2868   8.86622      1.35881  3.24007  0.198577  2.90875  0.233574  
1 1 1 38 19 32 o 2.12246  0.208645  4.71546      0.885679 4.4638       1.23235  4.98431      1.27375  2.01401  0.305944  2.13281  0.298609  
1 1 1 38 19 33 o 1.76068  0.255442  3.35221      0.899502 3.36943      1.206    3.33061      1.35039  1.67432  0.370024  1.63023  0.4134    
1 1 1 38 19 34 o 1.31771  0.333413  2.09408      0.879833 2.08725      1.1991   2.10205      1.29497  1.26943  0.412827  1.26585  0.429014  
1 1 1 38 19 35 o 1.69592  0.25853   3.23027      0.876895 2.14123      1.24805  4.29205      1.23233  1.24295  0.421171  1.866    0.343038  
1 1 1 38 19 36 o 1.30895  0.346249  2.2468       0.920566 2.61147      1.32074  1.90225      1.2838   1.31349  0.433262  1.13873  0.423006  
1 1 1 38 19 37 o 0.4907   0.244361  -1.85421     0.954845 -1.56408     1.33045  -2.16238     1.37118  0.624632 0.307408  0.595029 0.295829  
1 1 1 38 19 38 o 0.849403 0.354552  1.03887      1.00389  0.542447     1.48354  1.45819      1.36347  0.804581 0.375519  0.924134 0.40025   
1 1 1 38 19 39 o 0.811127 0.346824  0.946316     0.99998  1.00585      1.45255  0.892681     1.37871  0.831876 0.381646  0.815522 0.373169  
1 1 1 38 20 0  o 7.42717  0.101109  55.2132      1.50129  55.2132      1.50129  55.2132      1.50129  7.42886  0.0714639 ?        ?         
1 1 1 38 20 1  o 9.25172  0.0800911 85.6326      1.48196  85.4256      2.14083  85.823       2.05351  9.23822  0.115868  9.26005  0.11088   
1 1 1 38 20 2  o 8.0281   0.0723445 64.4742      1.16158  63.4838      1.61287  65.5415      1.67428  7.96475  0.101251  8.09267  0.103444  
1 1 1 38 20 3  o 12.2421  0.093122  149.963      2.28001  145.914      3.21844  154.041      3.23045  12.0716  0.133306  12.4036  0.130222  
1 1 1 38 20 4  o 3.33303  0.0980553 11.1171      0.653643 10.6239      0.953233 11.5548      0.898018 3.2568   0.146345  3.39699  0.132178  
1 1 1 38 20 5  o 10.7869  0.0915546 116.433      1.97518  115.337      2.80008  117.519      2.78661  10.7323  0.130451  10.8335  0.12861   
1 1 1 38 20 6  o 2.2281   0.147471  4.97336      0.65716  5.85512      0.964942 4.21063      0.897453 2.41572  0.199721  2.04789  0.219117  
1 1 1 38 20 7  o 11.6217  0.0969043 135.178      2.25239  136.501      3.25101  133.957      3.12354  11.6732  0.139251  11.5645  0.135048  
1 1 1 38 20 8  o 7.84912  0.0791246 61.6465      1.24212  60.1949      1.78547  63.0079      1.72912  7.75353  0.115139  7.93316  0.10898   
1 1 1 38 20 9  o 2.18117  0.140216  4.76735      0.611669 5.11678      0.885335 4.44823      0.846062 2.2575   0.196088  2.10464  0.200999  
1 1 1 38 20 10 o 3.11659  0.105125  9.72499      0.655264 9.89806      0.949969 9.5679       0.905031 3.14215  0.151165  3.08954  0.146467  
1 1 1 38 20 11 o 2.84878  0.109567  8.12702      0.624264 6.70656      0.91989  9.33966      0.849938 2.58486  0.177938  3.05258  0.139216  
1 1 1 38 20 12 o 4.76231  0.0852875 22.701       0.812332 22.0921      1.21365  23.1953      1.09336  4.69513  0.129246  4.81211  0.113605  
1 1 1 38 20 13 o 0.80095  0.286137  0.552797     0.581269 0.451276     0.791443 0.671688     0.856481 0.841191 0.327245  0.926912 0.345271  
1 1 1 38 20 14 o 1.1881   0.21697   1.46593      0.496421 1.44194      0.727312 1.48686      0.679242 1.17098  0.306856  1.18826  0.288333  
1 1 1 38 20 15 o 8.18139  0.0820099 67.0108      1.34191  65.6508      1.83653  68.5685      1.96553  8.09371  0.113454  8.27074  0.118824  
1 1 1 38 20 16 o 6.38765  0.0762911 40.8462      0.974642 39.7992      1.32223  42.092       1.44229  6.30221  0.104902  6.48037  0.111281  
1 1 1 38 20 17 o 2.56532  0.118169  6.59947      0.606283 6.32292      0.846797 6.89035      0.868439 2.50734  0.168863  2.6177   0.165879  
1 1 1 38 20 18 o 1.75368  0.181413  3.09758      0.636281 2.92849      0.878391 3.28426      0.922935 1.69896  0.258509  1.7994   0.256456  
1 1 1 38 20 19 o 9.02802  0.0927919 81.6789      1.67545  82.9736      2.2918   80.1926      2.45557  9.09116  0.126045  8.93422  0.137425  
1 1 1 38 20 20 o 1.75187  0.184123  3.09831      0.645117 3.05373      0.881909 3.14963      0.946141 1.73189  0.254608  1.75703  0.269244  
1 1 1 38 20 21 f 2.14908  0.155885  4.65313      0.67002  3.81302      0.926828 5.57282      0.96973  1.93563  0.239413  2.34524  0.206744  
1 1 1 38 20 22 o 3.58996  0.104699  12.9368      0.751731 12.6294      1.03374  13.2819      1.09513  3.54061  0.145983  3.63001  0.150845  
1 1 1 38 20 23 o 0.811241 0.309209  0.491431     0.697367 0.939109     0.982328 0.0365754    0.990171 1.02368  0.371348  0.80751  0.345193  
1 1 1 38 20 24 o 2.52005  0.143982  6.40291      0.725685 5.66323      0.998504 7.23101      1.0565   2.3588   0.211655  2.6683   0.197971  
1 1 1 38 20 25 o 1.93408  0.183141  3.7992       0.708418 4.35583      0.992988 3.22223      1.01096  2.05938  0.241089  1.76161  0.286943  
1 1 1 38 20 26 o 1.31106  0.294702  1.86236      0.753897 1.88025      1.0524   1.84351      1.0805   1.3055   0.380124  1.29445  0.387419  
1 1 1 38 20 27 o 1.52085  0.247591  2.39624      0.753094 0.979643     1.01661  4.11904      1.12111  1.02639  0.377237  1.9835   0.282609  
1 1 1 38 20 28 o 2.16517  0.176773  4.78318      0.765488 4.18788      1.05761  5.43817      1.10937  2.00126  0.264237  2.28845  0.242384  
1 1 1 38 20 29 o 3.04026  0.14233   9.38334      0.865444 10.2173      1.18012  8.413        1.27299  3.15552  0.186993  2.84789  0.223498  
1 1 1 38 20 30 o 2.7158   0.162558  7.53061      0.88295  8.70788      1.2114   6.19637      1.28963  2.90104  0.208787  2.4219   0.266242  
1 1 1 38 20 31 o 2.61693  0.169819  7.02899      0.88881  6.28555      1.22207  7.86385      1.29503  2.43795  0.250634  2.73493  0.236758  
1 1 1 38 20 32 o 1.00756  0.351966  1.11698      0.875153 1.27244      1.19458  0.936891     1.28575  1.08447  0.407007  1.02114  0.410768  
1 1 1 38 20 33 o 0.587799 0.277561  -0.792839    0.866983 0.355323     1.17226  -2.17917     1.28812  0.872378 0.374343  0.611587 0.301254  
1 1 1 38 20 34 o 0.595489 0.280465  -0.700478    0.874224 -1.5512      1.14227  0.502437     1.35828  0.604044 0.294201  0.917566 0.398476  
1 1 1 38 20 35 o 1.82388  0.243269  3.70164      0.887389 4.7816       1.2907   2.73353      1.22203  1.99796  0.323004  1.40991  0.40932   
1 1 1 38 20 36 o 1.45657  0.325995  2.7285       0.92579  2.29419      1.31684  3.15296      1.30181  1.20953  0.430819  1.44582  0.423351  
1 1 1 38 20 37 o 1.4331   0.343788  2.81203      0.974201 3.45131      1.36225  2.14285      1.39374  1.45583  0.434866  1.1193   0.434506  
1 1 1 38 20 38 o 1.40293  0.349652  2.97106      0.978698 1.78423      1.41999  4.045        1.35077  0.953821 0.41072   1.49675  0.42899   
1 1 1 38 20 39 o 0.707359 0.323949  0.425072     1.04145  0.851958     1.52584  0.0527463    1.425    0.790002 0.371624  0.707591 0.340758  
1 1 1 38 21 0  o 5.92972  0.105109  35.2098      1.24565  35.2098      1.24565  35.2098      1.24565  5.93175  0.0742716 ?        ?         
1 1 1 38 21 1  o 5.97047  0.0681938 35.6594      0.814298 34.3831      1.14286  36.9755      1.16052  5.86152  0.0974886 6.07856  0.0954604 
1 1 1 38 21 2  o 12.431   0.0943456 154.639      2.34562  152.374      3.34452  156.832      3.29055  12.3349  0.135572  12.5146  0.131469  
1 1 1 38 21 3  o 2.74788  0.0842839 7.55521      0.463204 8.0482       0.651821 7.05227      0.658366 2.8354   0.114944  2.65393  0.124036  
1 1 1 38 21 4  o 7.78761  0.079431  60.6793      1.23715  59.2571      1.73224  62.16        1.7675   7.6937   0.112575  7.87993  0.112152  
1 1 1 38 21 5  o 2.19444  0.135338  4.82346      0.593982 4.55093      0.852703 5.08034      0.82788  2.12947  0.200215  2.25055  0.183928  
1 1 1 38 21 6  o 10.7116  0.0960629 114.84       2.05797  113.01       2.95984  116.552      2.86339  10.6208  0.139342  10.7869  0.132726  
1 1 1 38 21 7  o 3.48401  0.0920706 12.1489      0.641549 12.639       0.944167 11.7286      0.874416 3.55192  0.132909  3.42185  0.12777   
1 1 1 38 21 8  o 15.8117  0.125871  250.433      3.98047  246.844      5.72937  253.783      5.53417  15.6833  0.182658  15.9049  0.173977  
1 1 1 38 21 9  o 4.11633  0.0864574 16.9584      0.711775 16.833       1.02095  17.0769      0.992838 4.09924  0.12453   4.12908  0.120225  
1 1 1 38 21 10 o 6.69489  0.0760263 44.8525      1.01798  44.9269      1.47262  44.7844      1.40877  6.6979   0.109931  6.68766  0.105326  
1 1 1 38 21 11 o 2.84205  0.108199  8.0896       0.615012 7.66501      0.873331 8.50731      0.866231 2.76408  0.157979  2.91253  0.148708  
1 1 1 38 21 12 o 1.11444  0.260607  1.30371      0.57107  1.00618      0.801027 1.61123      0.81437  1.01907  0.337415  1.2376   0.324882  
1 1 1 38 21 13 o 8.31214  0.0841901 69.1653      1.3996   71.8364      1.97715  66.4824      1.98153  8.46687  0.116758  8.14452  0.121648  
1 1 1 38 21 14 o 1.06749  0.23097   1.19411      0.479172 1.90939      0.752715 0.706743     0.621332 1.34712  0.287808  0.869816 0.297169  
1 1 1 38 21 15 o 2.6178   0.10183   6.86581      0.533141 7.01217      0.77641  6.73522      0.73338  2.64285  0.146889  2.59049  0.141552  
1 1 1 38 21 16 o 4.3077   0.0840007 18.5824      0.7237   18.4892      0.976975 18.6957      1.0773   4.29439  0.11375   4.31719  0.124768  
1 1 1 38 21 17 o 9.97432  0.0950339 99.6777      1.8958   101.134      2.6733   98.2043      2.68889  10.0378  0.133161  9.8906   0.135932  
1 1 1 38 21 18 o 3.48467  0.0946874 12.1687      0.659909 12.1388      0.916633 12.2009      0.950809 3.47693  0.131816  3.48532  0.136402  
1 1 1 38 21 19 o 3.54408  0.0986309 12.5937      0.699113 11.8474      0.97415  13.3862      1.00391  3.43273  0.141892  3.64944  0.137543  
1 1 1 38 21 20 o 4.02331  0.0937218 16.2293      0.754145 14.9753      1.0497   17.5669      1.08418  3.85928  0.135997  4.18093  0.129658  
1 1 1 38 21 21 o 4.05203  0.0975722 16.4701      0.790732 16.4236      1.09566  16.5206      1.14233  4.04032  0.135591  4.05123  0.140985  
1 1 1 38 21 22 o 4.14934  0.098005  17.2765      0.813312 18.1679      1.1785   16.4659      1.12384  4.2476   0.138725  4.04369  0.138962  
1 1 1 38 21 23 o 3.27013  0.126256  10.7584      0.82575  11.9509      1.20169  9.69163      1.1366   3.43705  0.174813  3.0933   0.18372   
1 1 1 38 21 24 o 3.57421  0.112504  12.8402      0.804227 11.5535      1.11275  14.2473      1.16365  3.38038  0.164589  3.75619  0.154898  
1 1 1 38 21 25 o 1.60324  0.229504  2.63834      0.735901 3.31331      1.05298  1.99392      1.02888  1.78177  0.295487  1.34408  0.37087   
1 1 1 38 21 26 o 2.54112  0.161639  6.55281      0.821489 6.9401       1.20121  6.21251      1.12596  2.59517  0.231431  2.45606  0.229222  
1 1 1 38 21 27 o 2.00761  0.191187  4.12045      0.767655 4.43441      1.07312  3.79143      1.09858  2.06333  0.260046  1.89891  0.289267  
1 1 1 38 21 28 o 3.19395  0.129688  10.3203      0.828435 10.4784      1.1579   10.1545      1.18576  3.20094  0.180869  3.14814  0.188327  
1 1 1 38 21 29 o 0.642471 0.292103  -0.392952    0.82146  0.636997     1.107    -1.65509     1.22545  0.949676 0.381509  0.650712 0.314012  
1 1 1 38 21 30 o 1.29441  0.321484  1.8928       0.829544 1.46713      1.11639  2.41758      1.23956  1.15315  0.398032  1.42822  0.411475  
1 1 1 38 21 31 o 1.51839  0.292498  2.57065      0.856557 2.84545      1.18088  2.26552      1.24432  1.5479   0.383035  1.36734  0.417073  
1 1 1 38 21 32 o 0.823521 0.335911  0.470104     0.875045 -0.547672    1.24263  1.47124      1.23243  0.759524 0.350297  1.1315   0.415403  
1 1 1 38 21 33 o 0.681061 0.305351  -0.153938    0.862549 1.08094      1.15921  -1.68572     1.29107  1.01374  0.395702  0.648535 0.315032  
1 1 1 38 21 34 o 0.875754 0.343896  0.774348     0.878415 0.534563     1.19103  1.06035      1.30074  0.880855 0.377633  0.997527 0.408658  
1 1 1 38 21 35 o 1.26524  0.335863  2.02988      0.864265 1.69406      1.2514   2.33614      1.19506  1.11274  0.41678   1.28878  0.4115    
1 1 1 38 21 36 o 0.763296 0.327812  0.454034     0.900263 1.38755      1.28165  -0.455159    1.26484  0.990443 0.405684  0.711462 0.335749  
1 1 1 38 21 37 o 1.10186  0.377719  1.88965      1.00386  2.64336      1.51715  1.30268      1.33886  1.17285  0.453739  0.936632 0.400925  
1 1 1 38 21 38 o 0.797464 0.34337   0.892451     0.992347 3.05334      1.56612  -0.557134    1.28271  1.12916  0.453708  0.648965 0.314855  
1 1 1 38 21 39 o 0.533591 0.262802  -0.849839    0.996638 -0.948244    1.5369   -0.778429    1.30924  0.615414 0.306962  0.594829 0.294575  
1 1 1 38 22 0  o 16.8109  0.176071  283.092      5.91837  283.092      5.91837  283.092      5.91837  16.8181  0.124432  ?        ?         
1 1 1 38 22 1  o 8.16875  0.0773744 66.7644      1.2641   66.5546      1.8117   66.9635      1.76466  8.15357  0.111098  8.17883  0.10788   
1 1 1 38 22 2  o 13.5287  0.104589  183.21       2.82992  182.893      3.93641  183.549      4.07123  13.5106  0.145678  13.534   0.150407  
1 1 1 38 22 3  o 3.14046  0.074224  9.86765      0.466196 10.3473      0.648352 9.35422      0.670822 3.21517  0.100827  3.05673  0.109729  
1 1 1 38 22 4  o 2.60369  0.118106  6.78855      0.615022 5.90041      0.906303 7.54664      0.837331 2.42492  0.186873  2.74398  0.152576  
1 1 1 38 22 5  o 9.30567  0.0831535 86.6574      1.5476   85.623       2.21045  87.6521      2.16745  9.24649  0.119529  9.35583  0.115834  
1 1 1 38 22 6  o 2.69909  0.114071  7.29517      0.615777 7.005        0.87894  7.57488      0.86296  2.64283  0.166288  2.74867  0.156978  
1 1 1 38 22 7  o 1.80677  0.161356  3.27378      0.583069 3.51647      0.846595 3.05478      0.804204 1.86996  0.226367  1.7427   0.230735  
1 1 1 38 22 8  o 12.4396  0.101529  154.926      2.52596  154.779      3.56929  155.075      3.57521  12.4263  0.143619  12.4381  0.14372   
1 1 1 38 22 9  o 2.85577  0.112008  8.16795      0.639739 7.1595       0.934902 9.05596      0.877299 2.6707   0.175029  3.00538  0.145955  
1 1 1 38 22 10 o 4.18878  0.085958  17.5631      0.720118 18.0249      1.05754  17.1638      0.983313 4.24121  0.124674  4.13905  0.118785  
1 1 1 38 22 11 o 3.32171  0.0985644 11.0489      0.654805 11.3346      0.940659 10.7804      0.912071 3.36202  0.139895  3.27885  0.139084  
1 1 1 38 22 12 o 3.74458  0.088894  14.0385      0.665741 13.8063      0.933313 14.279       0.949907 3.71123  0.125742  3.77422  0.125841  
1 1 1 38 22 13 o 4.95098  0.0799244 24.5379      0.791408 24.3366      1.0596   24.7918      1.19018  4.92851  0.107497  4.97326  0.119658  
1 1 1 38 22 14 o 0.943873 0.27617   0.919386     0.554188 0.737478     0.755544 1.13123      0.815349 0.915944 0.326323  1.06251  0.339961  
1 1 1 38 22 15 o 0.613096 0.250892  0.134416     0.489742 0.813765     0.715864 -0.463282    0.671467 0.931109 0.318975  0.569966 0.260647  
1 1 1 38 22 16 o 2.69627  0.112084  7.28894      0.604418 6.33636      0.863518 8.20391      0.846295 2.50952  0.172049  2.85775  0.14807   
1 1 1 38 22 17 o 2.29002  0.127018  5.2636       0.581749 5.81775      0.843226 4.76027      0.803637 2.40356  0.175412  2.17333  0.184886  
1 1 1 38 22 18 o 3.4901   0.0967625 12.2103      0.675421 11.8181      0.912017 12.6867      1.00514  3.42994  0.132949  3.55269  0.141461  
1 1 1 38 22 19 o 2.86819  0.118376  8.2597       0.679051 7.86961      0.938034 8.68921      0.984282 2.79406  0.167862  2.93599  0.167624  
1 1 1 38 22 20 o 2.41096  0.133765  5.84538      0.645003 5.43558      0.899911 6.2783       0.924947 2.31765  0.194143  2.49211  0.185575  
1 1 1 38 22 21 o 1.25292  0.276085  1.67273      0.673196 1.52568      0.93872  1.82843      0.96595  1.19922  0.361553  1.30151  0.359447  
1 1 1 38 22 22 o 1.76897  0.198916  3.17363      0.703753 2.91848      1.00304  3.42101      0.987648 1.65414  0.314539  1.82556  0.270506  
1 1 1 38 22 23 o 2.76728  0.136418  7.71449      0.75501  6.75912      1.04244  8.7686       1.09498  2.57888  0.202111  2.9409   0.186165  
1 1 1 38 22 24 o 1.91214  0.183961  3.71409      0.703517 3.72489      0.984223 3.7028       1.00598  1.90052  0.258935  1.89337  0.26566   
1 1 1 38 22 25 o 1.28081  0.296251  1.77854      0.744368 0.716498     1.10776  2.65288      1.00511  0.984727 0.386319  1.55765  0.332425  
1 1 1 38 22 26 o 2.07614  0.18918   4.40052      0.785529 3.70918      1.08655  5.15753      1.13698  1.88052  0.288897  2.22897  0.255046  
1 1 1 38 22 27 o 0.690439 0.296999  0.0141742    0.741043 -1.11517     1.02231  1.26461      1.07572  0.631195 0.299604  1.11031  0.389994  
1 1 1 38 22 28 o 2.63107  0.153678  7.04432      0.808675 6.98758      1.12894  7.10411      1.15893  2.59828  0.217247  2.61818  0.221324  
1 1 1 38 22 29 o 2.41648  0.179834  5.98487      0.869131 6.46532      1.19824  5.45145      1.26255  2.48765  0.240838  2.26803  0.278337  
1 1 1 38 22 30 o 1.3923   0.303655  2.1649       0.822128 1.73087      1.14967  2.61912      1.17611  1.22856  0.404229  1.49328  0.389699  
1 1 1 38 22 31 o 1.46488  0.297546  2.42132      0.841404 2.26373      1.16417  2.59366      1.21747  1.36297  0.400746  1.45519  0.404158  
1 1 1 38 22 32 o 2.87849  0.165824  8.57256      0.954646 7.60593      1.3748   9.47265      1.32664  2.64746  0.259644  2.98611  0.222135  
1 1 1 38 22 33 f 0.896191 0.350629  0.785356     0.911258 0.445771     1.24134  1.18222      1.34195  0.89101  0.383849  1.04745  0.420355  
1 1 1 38 22 34 o 2.03862  0.226982  4.55273      0.925461 3.62413      1.29847  5.51147      1.31938  1.65368  0.397025  2.16974  0.304041  
1 1 1 38 22 35 o 1.18638  0.360583  1.89926      0.931178 2.79592      1.3661   1.1211       1.27263  1.34946  0.440639  0.967385 0.401202  
1 1 1 38 22 36 o 1.23436  0.353414  2.13658      0.917236 1.26223      1.2816   3.05476      1.31332  0.957049 0.400115  1.37716  0.430201  
1 1 1 38 22 37 o 1.39699  0.351535  2.90185      0.982125 3.92943      1.46672  2.06661      1.32234  1.43188  0.455746  1.04249  0.417725  
1 1 1 38 22 38 f 0.595479 0.283916  -0.365921    0.928911 -0.895256    1.36993  0.0845998    1.26383  0.642379 0.314784  0.71248  0.336049  
1 1 1 38 23 0  o 8.61496  0.107731  74.2969      1.85554  74.2969      1.85554  74.2969      1.85554  8.61727  0.0761435 ?        ?         
1 1 1 38 23 1  o 4.15277  0.0760323 17.2558      0.631489 15.8072      0.860512 18.9464      0.929607 3.97343  0.108283  4.35019  0.106847  
1 1 1 38 23 2  o 9.47599  0.0801863 89.8548      1.51969  90.2974      2.19269  89.4456      2.10813  9.49592  0.115454  9.45146  0.111524  
1 1 1 38 23 3  o 3.75261  0.0742699 14.0903      0.557413 14.8133      0.842881 13.5284      0.743113 3.84637  0.109569  3.67612  0.101073  
1 1 1 38 23 4  o 4.43971  0.0849456 19.7264      0.754267 18.9598      1.10006  20.4065      1.03619  4.35055  0.126428  4.51416  0.114771  
1 1 1 38 23 5  f 15.3035  0.117943  234.557      3.60987  230.544      5.13221  238.487      5.07848  15.1597  0.169272  15.4199  0.164672  
1 1 1 38 23 6  o 2.08217  0.144481  4.34571      0.601668 4.33145      0.854901 4.3597       0.846929 2.0762   0.205882  2.08308  0.203288  
1 1 1 38 23 7  o 5.51359  0.0803152 30.4231      0.88565  30.7816      1.32074  30.1301      1.19384  5.54341  0.119127  5.4852   0.108824  
1 1 1 38 23 8  o 5.27481  0.080318  27.8464      0.847325 29.2583      1.22303  26.5432      1.17501  5.4047   0.113145  5.14775  0.114129  
1 1 1 38 23 9  o 8.0118   0.079547  64.2443      1.27463  64.2686      1.82702  64.2212      1.77913  8.00967  0.114051  8.00708  0.111097  
1 1 1 38 23 10 o 4.96069  0.0789827 24.6304      0.783618 24.1284      1.13301  25.0908      1.08496  4.90736  0.115439  5.00484  0.108391  
1 1 1 38 23 11 o 7.97583  0.0779418 63.6723      1.2433   63.1552      1.7571   64.1908      1.75949  7.93959  0.110654  8.00452  0.109906  
1 1 1 38 23 12 o 1.70733  0.163677  2.92779      0.558901 3.51534      0.767263 2.2636       0.815776 1.86841  0.205325  1.47016  0.287706  
1 1 1 38 23 13 o 10.1743  0.0889352 103.663      1.80971  103.174      2.48545  104.216      2.64018  10.1438  0.122511  10.1933  0.129506  
1 1 1 38 23 14 o 1.10815  0.271079  1.29493      0.596665 1.97988      0.791099 0.391203     0.908694 1.36935  0.2972    0.865295 0.346465  
1 1 1 38 23 15 o 2.94294  0.0888074 8.675        0.522709 9.42813      0.810315 8.13826      0.684063 3.06503  0.132187  2.84855  0.120072  
1 1 1 38 23 16 o 2.77185  0.103182  7.70148      0.572012 7.40091      0.830587 7.97264      0.788916 2.71339  0.153054  2.81744  0.140006  
1 1 1 38 23 17 o 0.664135 0.26746   0.209301     0.545981 -0.348718    0.783678 0.73561      0.761086 0.647164 0.290582  0.913702 0.327317  
1 1 1 38 23 18 o 1.43908  0.199308  2.09403      0.573638 2.18273      0.814536 2.00676      0.807998 1.43534  0.293876  1.37329  0.302346  
1 1 1 38 23 19 o 0.537791 0.246356  -0.419534    0.602734 -0.772992    0.823752 -0.0122535   0.884248 0.59526  0.278585  0.757694 0.325127  
1 1 1 38 23 20 o 2.04144  0.154053  4.20078      0.628978 3.09799      0.889878 5.30175      0.889142 1.74085  0.255587  2.28789  0.194315  
1 1 1 38 23 21 o 2.16683  0.155146  4.73571      0.672349 5.02155      0.962123 4.46289      0.939954 2.22211  0.216488  2.09355  0.224489  
1 1 1 38 23 22 o 4.84768  0.101917  23.5942      0.988119 22.0579      1.34216  25.4123      1.46011  4.67802  0.143453  5.02058  0.145412  
1 1 1 38 23 23 o 4.28501  0.09941   18.4359      0.851945 17.741       1.14913  19.2839      1.2695   4.19569  0.136942  4.37224  0.145178  
1 1 1 38 23 24 o 6.96143  0.0926063 48.6704      1.28934  50.2161      1.82506  47.1302      1.82176  7.05684  0.129311  6.83481  0.133271  
1 1 1 38 23 25 o 0.585475 0.270698  -0.557248    0.748075 0.228075     1.06367  -1.32587     1.0523   0.861504 0.362556  0.622641 0.298129  
1 1 1 38 23 26 o 1.71521  0.223921  3.03163      0.768143 2.99773      1.04515  3.07146      1.13277  1.6537   0.327654  1.66375  0.351323  
1 1 1 38 23 27 o 2.34129  0.170469  5.59057      0.798236 4.99503      1.10205  6.24784      1.15776  2.188    0.25184   2.45329  0.23596   
1 1 1 38 23 28 o 1.37687  0.299687  2.0928       0.802273 3.20689      1.10028  0.828076     1.17231  1.69612  0.336309  1.00833  0.39686   
1 1 1 38 23 29 o 1.10083  0.34339   1.34968      0.837164 2.99742      1.14619  -0.534458    1.22566  1.61697  0.363315  0.774679 0.353436  
1 1 1 38 23 30 o 0.745789 0.313962  0.203715     0.798087 0.454783     1.10693  -0.0680876   1.15173  0.896766 0.373183  0.813586 0.359608  
1 1 1 38 23 31 o 2.3483   0.18851   5.74799      0.885353 5.61098      1.24693  5.88729      1.2573   2.26915  0.274757  2.32758  0.270087  
1 1 1 38 23 32 o 1.36017  0.323403  2.17719      0.868071 0.750757     1.22802  3.60184      1.22725  0.958284 0.395564  1.72625  0.36654   
1 1 1 38 23 33 o 0.802231 0.338003  0.403057     0.926256 -0.330299    1.2695   1.23787      1.35447  0.773085 0.355559  1.04716  0.42145   
1 1 1 38 23 34 o 0.537772 0.260298  -1.09064     0.864587 -1.06565     1.18394  -1.11919     1.26556  0.653548 0.313721  0.67281  0.323304  
1 1 1 38 23 35 o 0.698397 0.314468  0.0451286    0.924094 -0.397917    1.35711  0.428145     1.26182  0.745066 0.350483  0.831966 0.371257  
1 1 1 38 23 36 o 0.826222 0.341221  0.775376     0.914501 0.0220269    1.30775  1.49631      1.27931  0.764476 0.35516   0.993857 0.405903  
1 1 1 38 23 37 o 0.819138 0.341811  0.954288     0.932579 0.521872     1.36591  1.33187      1.27637  0.778128 0.362068  0.888337 0.386035  
1 1 1 38 23 38 o 0.69486  0.317956  0.356176     1.00091  -0.0595694   1.34793  0.867156     1.49436  0.691819 0.332735  0.794777 0.372541  
1 1 1 38 24 0  o 3.1444   0.125595  9.94305      0.786975 9.94305      0.786975 9.94305      0.786975 3.14885  0.0885199 ?        ?         
1 1 1 38 24 1  o 2.57602  0.103458  6.64377      0.53302  6.48056      0.745659 6.8143       0.762222 2.54266  0.14663   2.60733  0.146169  
1 1 1 38 24 2  o 6.94198  0.070706  48.218       0.981679 46.7782      1.37283  49.7247      1.40431  6.83559  0.100418  7.04765  0.0996299 
1 1 1 38 24 3  o 8.56813  0.0766027 73.4617      1.31268  73.3279      1.86745  73.5923      1.84557  8.55737  0.109114  8.57294  0.107639  
1 1 1 38 24 4  o 8.61742  0.0821101 74.318       1.41515  73.461       2.02349  75.1385      1.97988  8.56397  0.11814   8.66165  0.11429   
1 1 1 38 24 5  o 7.2536   0.0774452 52.6527      1.12351  53.5095      1.6813   51.9614      1.51021  7.30918  0.115013  7.20365  0.104823  
1 1 1 38 24 6  o 1.8727   0.159008  3.51817      0.595548 3.9696       0.849825 3.08253      0.83484  1.98666  0.213883  1.74944  0.238602  
1 1 1 38 24 7  o 8.14482  0.0784777 66.3925      1.27838  64.9089      1.84678  67.7574      1.77137  8.04956  0.114713  8.22515  0.10768   
1 1 1 38 24 8  o 2.85878  0.104032  8.18494      0.594809 7.55222      0.852525 8.78509      0.830288 2.7435   0.155372  2.9599   0.140256  
1 1 1 38 24 9  o 1.32253  0.211721  1.76052      0.560018 0.575735     0.795007 2.92747      0.788997 0.878835 0.331553  1.70429  0.231474  
1 1 1 38 24 10 o 10.0485  0.0915165 101.102      1.8392   102.606      2.72975  99.8506      2.48894  10.1152  0.134934  9.98045  0.124691  
1 1 1 38 24 11 o 2.73617  0.10688   7.50083      0.584882 7.92648      0.809788 7.03663      0.845674 2.81052  0.144064  2.64702  0.159741  
1 1 1 38 24 12 o 4.0442   0.0846358 16.3766      0.684568 15.8539      0.917583 17.0328      1.02806  3.97692  0.115364  4.12129  0.124725  
1 1 1 38 24 13 f 6.86849  0.0808205 47.2359      1.11023  49.9016      1.58292  44.6549      1.55759  7.05551  0.112176  6.67362  0.116697  
1 1 1 38 24 14 o 4.80285  0.0858749 23.1024      0.824889 22.0944      1.16471  24.1167      1.16844  4.69309  0.124088  4.90377  0.119137  
1 1 1 38 24 15 o 6.91164  0.0841308 47.8453      1.16296  48.3361      1.62511  47.3302      1.66498  6.94199  0.117049  6.86864  0.121201  
1 1 1 38 24 16 o 3.80517  0.0814779 14.5028      0.620076 14.8517      0.888788 14.1719      0.865514 3.84754  0.115501  3.7585   0.115141  
1 1 1 38 24 17 o 3.55281  0.0906621 12.651       0.644211 12.6014      0.930053 12.6969      0.893169 3.54152  0.131307  3.55562  0.1256    
1 1 1 38 24 18 o 5.6033   0.0813742 31.4588      0.911928 30.8552      1.2433   32.1616      1.34162  5.54445  0.112121  5.65938  0.118531  
1 1 1 38 24 19 o 2.61431  0.12167   6.86734      0.636168 7.72376      0.863691 5.85166      0.940573 2.76813  0.156006  2.40397  0.195629  
1 1 1 38 24 20 o 1.33237  0.240954  1.86563      0.618529 1.36905      0.897393 2.31504      0.853706 1.14257  0.355351  1.47277  0.300235  
1 1 1 38 24 21 o 1.79834  0.188054  3.27606      0.676373 3.16043      0.990806 3.37698      0.925592 1.75201  0.282763  1.81595  0.254851  
1 1 1 38 24 22 o 1.54089  0.231202  2.42505      0.712513 2.68655      0.973082 2.12279      1.04617  1.58145  0.318838  1.394    0.369285  
1 1 1 38 24 23 o 1.45159  0.232993  2.16219      0.676422 1.90063      0.927868 2.45886      0.988188 1.31707  0.347263  1.50043  0.337493  
1 1 1 38 24 24 f 2.52112  0.146159  6.4273       0.736969 6.57662      1.0451   6.2796       1.03938  2.53634  0.206026  2.47741  0.209772  
1 1 1 38 24 25 o 0.783715 0.313518  0.372234     0.743132 -0.215184    1.04697  0.968652     1.05497  0.77191  0.34181   1.03141  0.383394  
1 1 1 38 24 26 o 0.647713 0.287803  -0.208178    0.750873 -1.2679      1.05518  0.878964     1.06874  0.627744 0.300082  1.00644  0.383027  
1 1 1 38 24 27 o 2.0124   0.19215   4.16093      0.773365 3.74291      1.07981  4.60118      1.10815  1.87805  0.287481  2.09138  0.264932  
1 1 1 38 24 28 o 1.89373  0.215998  3.71473      0.818085 2.83363      1.09834  4.81267      1.22606  1.58145  0.355868  2.12688  0.28823   
1 1 1 38 24 29 o 1.93161  0.213487  3.88087      0.824749 4.19355      1.15782  3.55878      1.17511  1.9744   0.293209  1.77409  0.343447  
1 1 1 38 24 30 o 2.34554  0.18288   5.69966      0.857907 6.19823      1.20838  5.19294      1.21821  2.40942  0.25076   2.18943  0.278203  
1 1 1 38 24 31 o 0.727102 0.312847  0.126426     0.822624 0.834327     1.20613  -0.489286    1.12485  0.978683 0.396123  0.727952 0.334755  
1 1 1 38 24 32 o 1.67524  0.256287  3.07533      0.858681 2.06845      1.19706  4.14257      1.23243  1.2678   0.412477  1.86503  0.343261  
1 1 1 38 24 33 o 0.78897  0.332123  0.416073     0.893009 0.422467     1.24805  0.409366     1.27831  0.869102 0.3797    0.873064 0.382828  
1 1 1 38 24 34 o 0.69253  0.307718  0.0394211    0.858397 0.00426053   1.19917  0.0763715    1.22931  0.779092 0.353873  0.796259 0.360387  
1 1 1 38 24 35 o 0.697894 0.314114  0.0909521    0.921074 0.0854379    1.29101  0.0966687    1.3145   0.778568 0.358282  0.784201 0.361148  
1 1 1 38 24 36 o 0.899012 0.354452  1.14708      0.936668 0.577356     1.33093  1.70616      1.31845  0.820042 0.372562  1.00559  0.411607  
1 1 1 38 24 37 o 0.771713 0.334355  0.766723     0.952116 0.72656      1.34907  0.806582     1.34394  0.790543 0.364751  0.800372 0.367154  
1 1 1 38 24 38 o 0.657189 0.304451  0.364019     0.952272 0.183044     1.32447  0.557684     1.37012  0.669859 0.323875  0.707568 0.339127  
1 1 1 38 25 0  o 2.95629  0.136601  8.80529      0.803734 8.80529      0.803734 8.80529      0.803734 2.96187  0.09617   ?        ?         
1 1 1 38 25 1  o 3.02326  0.0924774 9.14959      0.559166 9.76837      0.779602 8.494        0.802453 3.12247  0.124837  2.91107  0.137828  
1 1 1 38 25 2  o 4.1239   0.072834  17.0176      0.600719 16.7226      0.822079 17.3557      0.879963 4.08678  0.100578  4.16314  0.105685  
1 1 1 38 25 3  o 8.38392  0.0769492 70.3424      1.29027  71.9428      1.87842  68.9128      1.77538  8.47535  0.110817  8.29539  0.10701   
1 1 1 38 25 4  o 5.83635  0.077962  34.0898      0.910027 33.924       1.24919  34.2772      1.3284   5.82008  0.107317  5.84979  0.113543  
1 1 1 38 25 5  o 5.64873  0.0763784 31.9333      0.862882 33.5249      1.25911  30.5237      1.18487  5.78546  0.108817  5.52055  0.107315  
1 1 1 38 25 6  o 6.20698  0.0754043 38.557       0.936066 37.3602      1.31337  39.7926      1.33447  6.10738  0.107524  6.30322  0.105856  
1 1 1 38 25 7  o 4.57313  0.0781803 20.9319      0.715057 19.2187      0.970739 22.9642      1.05728  4.38002  0.110814  4.78787  0.110412  
1 1 1 38 25 8  o 1.45786  0.188906  2.1367       0.550796 2.65989      0.778662 1.61275      0.779226 1.62387  0.239754  1.23696  0.314244  
1 1 1 38 25 9  o 5.85567  0.0760394 34.3202      0.890523 35.3655      1.27081  33.3117      1.24827  5.94146  0.106944  5.76623  0.10824   
1 1 1 38 25 10 o 5.86285  0.0749759 34.4057      0.879144 34.5111      1.21809  34.2911      1.27014  5.86922  0.103769  5.84997  0.10856   
1 1 1 38 25 11 o 3.90333  0.086104  15.2565      0.672185 16.2669      0.936175 14.1814      0.965741 4.02826  0.116201  3.76016  0.128417  
1 1 1 38 25 12 o 4.47508  0.0839569 20.0539      0.751428 20.4863      1.0359   19.5737      1.09165  4.5204   0.11458   4.41765  0.123556  
1 1 1 38 25 13 o 3.92505  0.0865749 15.4297      0.679622 15.3995      0.944461 15.4623      0.978714 3.9184   0.120516  3.92598  0.124646  
1 1 1 38 25 14 o 2.79168  0.108044  7.8134       0.60325  7.71679      0.823074 7.92554      0.886725 2.77126  0.148502  2.80762  0.157914  
1 1 1 38 25 15 o 3.54486  0.0928467 12.5921      0.658257 12.5626      0.892224 12.6273      0.975123 3.53762  0.126105  3.54545  0.137518  
1 1 1 38 25 16 o 4.15129  0.0790659 17.2622      0.65645  17.2644      0.958962 17.2603      0.900513 4.14763  0.115604  4.14803  0.108547  
1 1 1 38 25 17 o 2.35693  0.12435   5.58021      0.586169 5.36865      0.847531 5.77419      0.811575 2.30577  0.183785  2.393    0.169573  
1 1 1 38 25 18 o 2.0871   0.139539  4.38278      0.582465 5.08488      0.813386 3.64379      0.834479 2.24325  0.181297  1.89428  0.220263  
1 1 1 38 25 19 o 1.4498   0.205766  2.13327      0.59664  1.35203      0.835078 2.94793      0.852751 1.13209  0.340949  1.69807  0.251095  
1 1 1 38 25 20 o 1.18303  0.270488  1.49095      0.626338 1.94779      0.899968 1.06184      0.872235 1.34274  0.335685  1.03815  0.352094  
1 1 1 38 25 21 o 3.36265  0.113332  11.3648      0.762192 10.9563      1.10322  11.7378      1.05425  3.29181  0.16757   3.40998  0.154584  
1 1 1 38 25 22 o 4.95484  0.095548  24.6469      0.946851 24.52        1.33831  24.7741      1.33979  4.93215  0.135673  4.95779  0.135119  
1 1 1 38 25 23 o 1.86262  0.187134  3.53073      0.69712  4.44856      0.942164 2.42032      1.0363   2.08246  0.226214  1.4818   0.354011  
1 1 1 38 25 24 f 0.47101  0.229759  -1.2476      0.706517 -0.49962     0.991867 -2.01801     1.00663  0.704295 0.320414  0.537885 0.264929  
1 1 1 38 25 25 o 2.87381  0.145794  8.3659       0.83797  7.71949      1.20263  8.97589      1.16826  2.73813  0.219607  2.96079  0.197288  
1 1 1 38 25 26 o 0.918478 0.325422  0.820579     0.750453 0.816319     1.06938  0.824713     1.0534   0.987709 0.381183  0.986077 0.378811  
1 1 1 38 25 27 o 0.705286 0.302234  0.0555477    0.76233  -0.882252    1.03701  1.15824      1.12449  0.661848 0.310252  1.08048  0.396783  
1 1 1 38 25 28 o 0.957711 0.336327  0.935393     0.8      0.635244     1.09789  1.27517      1.16812  0.942035 0.379315  1.11066  0.404743  
1 1 1 38 25 29 o 0.661927 0.296373  -0.223953    0.810161 0.312167     1.14976  -0.752642    1.14176  0.881353 0.374211  0.711571 0.331072  
1 1 1 38 25 30 o 0.564937 0.268408  -0.844073    0.822225 -0.833261    1.18217  -0.854204    1.14436  0.706196 0.33108   0.690562 0.324108  
1 1 1 38 25 31 o 0.691488 0.303378  -0.00200259  0.803692 0.313629     1.13404  -0.320489    1.13916  0.855101 0.367603  0.753307 0.342891  
1 1 1 38 25 32 o 0.71319  0.311511  0.0888242    0.839636 -1.22762     1.16279  1.52303      1.21369  0.641689 0.308726  1.10905  0.41143   
1 1 1 38 25 33 o 0.966471 0.346684  1.12389      0.854067 0.838437     1.18832  1.42889      1.22834  0.930911 0.386979  1.06088  0.408718  
1 1 1 38 25 34 o 0.587864 0.281094  -0.777901    0.927459 -1.9634      1.32236  0.36987      1.30115  0.606918 0.299465  0.838248 0.375449  
1 1 1 38 25 35 o 0.729292 0.323553  0.257759     0.944122 -0.0789379   1.2889   0.647576     1.38685  0.753165 0.350939  0.86244  0.386917  
1 1 1 38 25 36 o 0.911944 0.358122  1.30621      0.952633 1.75613      1.3797   0.896294     1.31694  0.970672 0.410918  0.835083 0.375744  
1 1 1 38 25 37 o 0.825794 0.348467  1.01633      0.986991 0.124245     1.34706  2.05036      1.45028  0.725295 0.344102  0.98219  0.418748  
1 1 1 38 26 0  o 12.9373  0.138742  167.65       3.58896  167.65       3.58896  167.65       3.58896  12.9426  0.0980521 ?        ?         
1 1 1 38 26 1  o 7.21871  0.0699769 52.1446      1.01029  51.4953      1.4204   52.8094      1.43726  7.17123  0.099035  7.26216  0.0989557 
1 1 1 38 26 2  o 0.945159 0.246592  0.934196     0.470998 0.675427     0.631921 1.25763      0.706481 0.861817 0.29927   1.09892  0.308745  
1 1 1 38 26 3  o 9.78047  0.086958  95.7582      1.70098  93.7054      2.36243  97.9681      2.45111  9.67009  0.122151  9.88729  0.123953  
1 1 1 38 26 4  o 5.40441  0.0829785 29.2362      0.8969   29.1375      1.21563  29.354       1.32872  5.39304  0.112704  5.41214  0.122753  
1 1 1 38 26 5  o 5.23194  0.080332  27.3988      0.840584 27.305       1.26993  27.4719      1.1214   5.21978  0.121646  5.23698  0.107066  
1 1 1 38 26 6  o 3.39489  0.0938702 11.5404      0.637358 10.7974      0.886183 12.3367      0.917345 3.28143  0.13503   3.50783  0.130757  
1 1 1 38 26 7  f 2.20392  0.129091  4.86985      0.569011 5.21697      0.814668 4.5392       0.795095 2.27834  0.178785  2.12469  0.187108  
1 1 1 38 26 8  o 6.06551  0.0769276 36.8262      0.933211 38.3126      1.37343  35.5514      1.27192  6.1834   0.111058  5.95688  0.106761  
1 1 1 38 26 9  o 0.735536 0.25768   0.484661     0.469361 0.622151     0.602616 0.272621     0.748366 0.831996 0.291928  0.773836 0.312514  
1 1 1 38 26 10 o 5.55397  0.0743896 30.8782      0.826316 30.9735      1.15929  30.7799      1.17811  5.55977  0.104257  5.54215  0.106287  
1 1 1 38 26 11 f 4.32809  0.0801551 18.7561      0.693837 19.5771      0.975098 17.9141      0.987487 4.4193   0.110323  4.22683  0.116812  
1 1 1 38 26 12 o 1.99334  0.140457  3.9896       0.559957 5.20201      0.747323 2.43758      0.845538 2.2745   0.164283  1.52444  0.287837  
1 1 1 38 26 13 o 4.54285  0.0805344 20.6668      0.731712 21.0916      1.01777  20.2124      1.05271  4.58641  0.110955  4.4891   0.117252  
1 1 1 38 26 14 o 1.87243  0.154249  3.52594      0.577643 3.67271      0.812467 3.3759       0.821428 1.90612  0.213121  1.82636  0.224881  
1 1 1 38 26 15 o 3.27553  0.103473  10.7596      0.677855 10.5681      0.917824 10.9895      1.00541  3.24229  0.141539  3.30496  0.152107  
1 1 1 38 26 16 o 2.35822  0.131505  5.58892      0.620236 5.70428      0.833822 5.44601      0.928013 2.37792  0.175326  2.32043  0.199966  
1 1 1 38 26 17 o 3.99429  0.0886893 15.9933      0.708502 14.7212      0.969355 17.4523      1.03812  3.82727  0.126638  4.16752  0.124549  
1 1 1 38 26 18 o 2.52103  0.119785  6.38675      0.603961 5.61655      0.842048 7.2028       0.866748 2.35699  0.178628  2.67171  0.162209  
1 1 1 38 26 19 o 1.27492  0.239317  1.70998      0.587731 1.21894      0.818843 2.23175      0.844084 1.08284  0.33998   1.44484  0.301916  
1 1 1 38 26 20 o 2.68146  0.124731  7.2329       0.668919 7.21938      0.96618  7.24534      0.927023 2.67021  0.180919  2.67639  0.173185  
1 1 1 38 26 21 o 0.739389 0.296815  0.29258      0.669365 -0.438152    0.948615 1.01721      0.944646 0.701896 0.317186  1.03471  0.365258  
1 1 1 38 26 22 o 3.15897  0.117013  10.0471      0.739282 9.66193      1.03237  10.4525      1.05915  3.08711  0.167207  3.21152  0.164898  
1 1 1 38 26 23 o 2.02865  0.176422  4.18419      0.715799 5.30565      0.963499 2.80282      1.06934  2.27611  0.211655  1.5963   0.344738  
1 1 1 38 26 24 o 2.2428   0.168063  5.11384      0.753863 4.29613      1.01545  6.11788      1.12522  2.03573  0.249408  2.43543  0.231011  
1 1 1 38 26 25 f 3.35499  0.12864   11.376       0.863174 11.8659      1.26948  10.9548      1.17716  3.40653  0.186331  3.27566  0.179683  
1 1 1 38 26 26 o 2.04018  0.198694  4.2846       0.810742 5.40796      1.14318  3.14785      1.14998  2.27285  0.251486  1.67157  0.354726  
1 1 1 38 26 27 o 1.77732  0.225059  3.28172      0.800006 3.43555      1.12018  3.12158      1.14293  1.75851  0.330656  1.66209  0.354316  
1 1 1 38 26 28 o 3.04605  0.143576  9.44665      0.874681 9.27583      1.22039  9.6271       1.25428  2.99138  0.203984  3.04651  0.205856  
1 1 1 38 26 29 o 2.40354  0.180035  5.97526      0.865443 7.14602      1.24513  4.881        1.20376  2.5955   0.239863  2.12093  0.283782  
1 1 1 38 26 30 o 1.78275  0.235344  3.39512      0.839121 3.63668      1.20002  3.164        1.17381  1.75571  0.354162  1.62307  0.369738  
1 1 1 38 26 31 o 1.58468  0.257571  2.74685      0.816339 1.78077      1.11023  3.8839       1.20447  1.19438  0.397236  1.80602  0.345792  
1 1 1 38 26 32 o 0.91833  0.341413  0.942923     0.836645 1.68362      1.18634  0.210024     1.18008  1.13502  0.40845   0.823561 0.364013  
1 1 1 38 26 33 o 1.03814  0.350028  1.3634       0.862029 1.60989      1.2541   1.14264      1.18686  1.09604  0.41556   0.987586 0.395739  
1 1 1 38 26 34 o 0.563521 0.271652  -0.891151    0.911263 -0.00978349  1.26219  -1.85073     1.317    0.766693 0.35339   0.606523 0.299172  
1 1 1 38 26 35 o 0.894233 0.360225  1.05729      0.99078  -0.211783    1.32321  2.67677      1.49477  0.737446 0.346659  1.21032  0.455077  
1 1 1 38 26 36 o 0.869543 0.355852  1.20106      0.985265 1.56201      1.42578  0.871161     1.36309  0.913052 0.402286  0.816639 0.372619  
1 1 1 38 26 37 o 1.01234  0.380193  1.97223      1.04271  3.20415      1.52583  0.892895     1.42822  1.11681  0.448213  0.785172 0.367232  
1 1 1 38 27 0  o 5.26025  0.0995107 27.7199      1.04606  27.7199      1.04606  27.7199      1.04606  5.26261  0.0703047 ?        ?         
1 1 1 38 27 1  o 4.98422  0.0684754 24.8595      0.682593 24.9864      0.949375 24.7237      0.982124 4.99531  0.0950266 4.96871  0.0988308 
1 1 1 38 27 2  f 4.28867  0.0763544 18.4085      0.654917 17.3576      0.912177 19.5266      0.940875 4.16253  0.10957   4.41515  0.106551  
1 1 1 38 27 3  o 3.73848  0.0841501 13.9911      0.629188 14.2796      0.895437 13.7097      0.884279 3.77482  0.118607  3.69866  0.11954   
1 1 1 38 27 4  f 3.24732  0.0942191 10.5594      0.61192  10.9738      0.922554 10.2339      0.817677 3.3077   0.139455  3.195    0.127962  
1 1 1 38 27 5  o 3.9176   0.0821568 15.3639      0.643714 15.3862      0.945192 15.3446      0.879096 3.91798  0.120622  3.91329  0.112322  
1 1 1 38 27 6  o 2.2877   0.124569  5.24691      0.56995  4.97094      0.840146 5.4822       0.775762 2.22299  0.188968  2.33608  0.166039  
1 1 1 38 27 7  o 4.4533   0.076787  19.852       0.683911 20.2993      0.998783 19.4572      0.93843  4.50067  0.110959  4.40669  0.106478  
1 1 1 38 27 8  o 3.28159  0.102678  10.7893      0.673894 10.8756      0.957155 10.7046      0.948957 3.2915   0.145398  3.26553  0.145299  
1 1 1 38 27 9  o 3.25312  0.106434  10.6057      0.692486 10.3505      0.978443 10.8618      0.980205 3.21012  0.1524    3.28876  0.149023  
1 1 1 38 27 10 o 2.50044  0.128492  6.27288      0.642571 7.09136      0.904099 5.4374       0.913439 2.65529  0.170245  2.32288  0.196618  
1 1 1 38 27 11 o 2.54222  0.122025  6.48297      0.620429 5.75495      0.916338 7.09922      0.843072 2.38987  0.191713  2.65752  0.15862   
1 1 1 38 27 12 o 1.55994  0.170234  2.44904      0.531113 2.57722      0.709116 2.28526      0.801566 1.59673  0.222053  1.47551  0.281713  
1 1 1 38 27 13 o 1.48271  0.181335  2.21578      0.537735 2.33977      0.748598 2.08359      0.77293  1.51861  0.246474  1.40561  0.284882  
1 1 1 38 27 14 o 4.48148  0.0869583 20.1239      0.779405 20.4298      1.15242  19.8661      1.0581   4.51026  0.127756  4.44887  0.118918  
1 1 1 38 27 15 o 1.03004  0.275385  1.12183      0.57845  0.702615     0.784059 1.62254      0.856886 0.907882 0.331524  1.23371  0.337592  
1 1 1 38 27 16 o 1.47601  0.198469  2.20493      0.585882 1.81986      0.78505  2.68902      0.880216 1.30519  0.305778  1.59699  0.285928  
1 1 1 38 27 17 o 0.438468 0.21007   -0.723346    0.524444 -0.980901    0.787284 -0.517882    0.703174 0.548016 0.261308  0.574085 0.264282  
1 1 1 38 27 18 o 4.53045  0.0817346 20.5744      0.740589 21.0869      1.06092  20.0872      1.03429  4.58092  0.115798  4.47105  0.115665  
1 1 1 38 27 19 o 1.8742   0.160265  3.54599      0.60074  3.75412      0.842112 3.33032      0.857239 1.92044  0.219249  1.80608  0.237321  
1 1 1 38 27 20 o 1.42133  0.232402  2.06372      0.660639 2.21823      0.957581 1.92339      0.91261  1.42941  0.339541  1.331    0.341236  
1 1 1 38 27 21 o 1.51981  0.215634  2.35965      0.655444 1.75978      0.921397 2.97417      0.932581 1.26998  0.3512    1.69511  0.27508   
1 1 1 38 27 22 f 2.73398  0.125847  7.53493      0.688127 7.94407      0.969748 7.11999      0.976606 2.79716  0.173345  2.64543  0.184583  
1 1 1 38 27 23 o 1.01556  0.311626  1.0997       0.693268 1.00029      0.965068 1.20569      0.996548 1.02289  0.368365  1.08794  0.37601   
1 1 1 38 27 24 o 1.92402  0.191218  3.78534      0.735816 3.67926      1.01073  3.90495      1.07328  1.87624  0.26935   1.9302   0.278023  
1 1 1 38 27 25 o 3.00615  0.138817  9.15767      0.834607 9.56932      1.26025  8.83608      1.11388  3.04863  0.206691  2.93618  0.189682  
1 1 1 38 27 26 o 0.841834 0.324796  0.565646     0.776291 0.902674     1.09233  0.221731     1.10344  1.00887  0.386274  0.861803 0.366273  
1 1 1 38 27 27 o 2.27684  0.175505  5.31733      0.799193 4.67296      1.12704  5.96905      1.13345  2.0996   0.268394  2.38776  0.237345  
1 1 1 38 27 28 o 2.07337  0.201089  4.46232      0.833867 4.40166      1.14075  4.53193      1.22196  2.02388  0.281823  2.04483  0.298793  
1 1 1 38 27 29 o 1.45932  0.292528  2.40192      0.823673 1.72409      1.18444  3.03667      1.1462   1.20126  0.410297  1.59795  0.366287  
1 1 1 38 27 30 o 1.2101   0.323127  1.72009      0.797013 2.24356      1.1302   1.20223      1.12412  1.34301  0.394849  1.04818  0.394539  
1 1 1 38 27 31 o 1.13483  0.336116  1.56137      0.816158 2.03567      1.1318   1.04752      1.17803  1.25511  0.400431  0.997437 0.396158  
1 1 1 38 27 32 o 0.509026 0.247407  -1.11675     0.798282 -1.7704      1.08993  -0.360365    1.17246  0.561369 0.276509  0.733085 0.338925  
1 1 1 38 27 33 o 0.933186 0.347915  1.07367      0.870032 2.19704      1.28022  0.109566     1.186    1.21188  0.425472  0.783188 0.354252  
1 1 1 38 27 34 o 0.896122 0.356826  1.02776      0.957962 1.15914      1.3918   0.909488     1.32053  0.943825 0.406522  0.898496 0.391573  
1 1 1 38 27 35 o 0.829304 0.348082  0.910055     0.97614  1.41738      1.32308  0.304055     1.44604  0.930961 0.398529  0.784211 0.367388  
1 1 1 38 27 36 o 1.2574   0.396555  2.79351      1.11239  2.42102      1.71888  3.06193      1.45915  1.00213  0.441598  1.17435  0.44737   
1 1 1 38 27 37 o 0.488301 0.244356  -1.59993     1.03035  -0.804818    1.49128  -2.32617     1.42523  0.618054 0.307447  0.530952 0.26873   
1 1 1 38 28 0  o 5.86555  0.102402  34.465       1.20046  34.465       1.20046  34.465       1.20046  5.86811  0.0723527 ?        ?         
1 1 1 38 28 1  o 0.670314 0.255559  0.314576     0.476466 0.0689792    0.665065 0.573552     0.68294  0.683499 0.287119  0.840782 0.309175  
1 1 1 38 28 2  o 8.00066  0.0738223 64.0672      1.18125  63.865       1.70202  64.255       1.64075  7.98413  0.106588  8.00904  0.102431  
1 1 1 38 28 3  o 7.24079  0.0758928 52.479       1.09905  52.3101      1.56946  52.6415      1.53955  7.22547  0.108606  7.24863  0.106196  
1 1 1 38 28 4  o 5.9926   0.0773535 35.9477      0.927098 35.4686      1.36853  36.3542      1.26037  5.94883  0.115025  6.02381  0.104615  
1 1 1 38 28 5  o 6.91471  0.0751921 47.8607      1.03986  49.7877      1.55239  46.2923      1.40049  7.0485   0.110122  6.79749  0.103016  
1 1 1 38 28 6  o 1.81937  0.139053  3.32169      0.505976 2.97301      0.728655 3.64639      0.703143 1.71723  0.21216   1.90365  0.184682  
1 1 1 38 28 7  o 2.24581  0.138516  5.06191      0.622161 4.71228      0.884082 5.40495      0.875714 2.16227  0.204434  2.31706  0.188971  
1 1 1 38 28 8  o 3.47833  0.098407  12.1219      0.684583 12.381       0.983992 11.8788      0.953044 3.51189  0.140095  3.44007  0.138521  
1 1 1 38 28 9  o 3.06244  0.109569  9.40148      0.671095 10.7261      0.979481 8.22948      0.92133  3.26763  0.149876  2.86119  0.161005  
1 1 1 38 28 10 o 2.29106  0.140745  5.27095      0.644911 5.3496       0.924693 5.19646      0.899897 2.3032   0.200741  2.27023  0.198195  
1 1 1 38 28 11 o 4.3234   0.0933947 18.7285      0.807565 18.593       1.11391  18.8788      1.17248  4.30387  0.129408  4.33608  0.1352    
1 1 1 38 28 12 o 3.36845  0.107644  11.3784      0.725183 10.8541      0.994658 11.9733      1.05954  3.28543  0.151374  3.45039  0.15354   
1 1 1 38 28 13 o 2.85738  0.0959282 8.18467      0.548207 8.3792       0.737447 7.94437      0.819609 2.88846  0.127654  2.81068  0.145803  
1 1 1 38 28 14 o 2.75489  0.109642  7.61552      0.604101 7.98753      0.829029 7.19436      0.882094 2.81757  0.147118  2.67191  0.165068  
1 1 1 38 28 15 f 4.0461   0.0926848 16.4138      0.750023 17.0874      1.08593  15.7994      1.03714  4.12279  0.131699  3.9645   0.130803  
1 1 1 38 28 16 o 4.88091  0.0896991 23.8865      0.875627 23.8964      1.18001  23.8743      1.30624  4.87649  0.120989  4.87155  0.134068  
1 1 1 38 28 17 o 3.53737  0.0932848 12.5523      0.659966 12.2843      0.907643 12.853       0.961337 3.49421  0.129878  3.5734   0.134513  
1 1 1 38 28 18 o 2.19952  0.133138  4.86887      0.585681 4.2276       0.833794 5.49344      0.822871 2.04064  0.204297  2.33061  0.176536  
1 1 1 38 28 19 o 2.57194  0.12742   6.65741      0.655434 5.99239      0.940637 7.28502      0.913794 2.42993  0.193552  2.68368  0.17025   
1 1 1 38 28 20 o 1.66818  0.192901  2.82741      0.64359  2.18487      0.903009 3.49075      0.917511 1.41966  0.324909  1.84379  0.248811  
1 1 1 38 28 21 o 1.48921  0.212067  2.26796      0.631625 2.26299      0.870214 2.2735       0.918223 1.44425  0.310195  1.44352  0.325767  
1 1 1 38 28 22 o 0.846404 0.30094   0.667952     0.64229  0.335102     0.91874  0.986138     0.898275 0.836724 0.343226  1.0067   0.356098  
1 1 1 38 28 23 o 0.671345 0.29052   -0.0298321   0.717203 0.285745     0.975104 -0.401758    1.05859  0.84262  0.350429  0.744788 0.335899  
1 1 1 38 28 24 o 1.89594  0.200597  3.68945      0.760639 3.64924      1.05848  3.73239      1.0938   1.86138  0.284327  1.88025  0.290866  
1 1 1 38 28 25 o 0.870824 0.329484  0.650802     0.787016 2.55172      1.1812   -0.866821    1.05541  1.48718  0.391671  0.671567 0.314482  
1 1 1 38 28 26 o 0.785479 0.317678  0.365111     0.77488  -0.492739    1.08915  1.24437      1.10266  0.735414 0.33489   1.09893  0.393949  
1 1 1 38 28 27 o 2.14571  0.188136  4.74749      0.80737  3.65931      1.122    5.916        1.16268  1.83908  0.305044  2.37033  0.245257  
1 1 1 38 28 28 o 0.867707 0.336739  0.648729     0.836974 0.373608     1.19551  0.913201     1.17215  0.898165 0.381474  1.00448  0.39636   
1 1 1 38 28 29 o 0.889559 0.330935  0.787457     0.78634  1.2519       1.1111   0.321418     1.11301  1.06495  0.39394   0.856193 0.36599   
1 1 1 38 28 30 o 1.68985  0.237279  3.07959      0.801934 3.40976      1.11945  2.73154      1.14936  1.69365  0.342459  1.47944  0.384848  
1 1 1 38 28 31 o 0.930127 0.337281  0.982843     0.810291 1.33169      1.13311  0.617756     1.15918  1.04803  0.395695  0.893477 0.377365  
1 1 1 38 28 32 f 0.937159 0.336509  1.04488      0.804847 0.215998     1.15325  1.83195      1.12378  0.808075 0.358165  1.16212  0.399519  
1 1 1 38 28 33 o 1.76207  0.279338  3.70559      0.984426 2.56384      1.38817  4.86065      1.39624  1.25713  0.442879  1.87754  0.385074  
1 1 1 38 28 34 o 0.625816 0.296688  -0.533202    0.99977  -0.510886    1.37707  -0.558073    1.45382  0.720962 0.344206  0.731895 0.350436  
1 1 1 38 28 35 o 0.725838 0.329967  0.37722      1.04754  0.507427     1.48009  0.246535     1.48281  0.789864 0.370332  0.763828 0.36174   
1 1 1 38 28 36 o 0.69445  0.321843  0.241312     1.06556  0.394357     1.59661  0.118397     1.43084  0.766592 0.367096  0.726757 0.347899  
1 1 1 38 29 0  o 6.57218  0.0992841 43.2608      1.30435  43.2608      1.30435  43.2608      1.30435  6.57473  0.0701591 ?        ?         
1 1 1 38 29 1  o 1.42686  0.162728  2.04553      0.464381 1.94467      0.653797 2.14822      0.65971  1.36613  0.248468  1.45902  0.226079  
1 1 1 38 29 2  o 2.83437  0.084086  8.04389      0.476663 7.53062      0.655792 8.61878      0.694038 2.74066  0.119641  2.93207  0.118353  
1 1 1 38 29 3  o 7.0125   0.0773496 49.2288      1.08483  48.8862      1.54153  49.565       1.52693  6.98409  0.11036   7.03266  0.10856   
1 1 1 38 29 4  o 7.03656  0.0782964 49.5698      1.10188  47.6276      1.57159  51.4477      1.54532  6.89291  0.114     7.16493  0.107839  
1 1 1 38 29 5  o 7.50197  0.0817694 56.3516      1.22686  56.3694      1.75072  56.3345      1.71978  7.49817  0.116743  7.49619  0.114711  
1 1 1 38 29 6  o 1.48441  0.192204  2.21958      0.570619 2.93743      0.870745 1.67926      0.755437 1.70294  0.255659  1.25963  0.303092  
1 1 1 38 29 7  o 3.20275  0.106512  10.2812      0.682265 10.9065      0.973679 9.67807      0.956293 3.29525  0.14774   3.10353  0.154065  
1 1 1 38 29 8  o 3.89127  0.093864  15.1698      0.7305   15.465       1.04628  14.8891      1.02037  3.92533  0.133273  3.85163  0.132459  
1 1 1 38 29 9  o 3.90465  0.0943282 15.2759      0.736637 15.4107      1.04441  15.1424      1.03914  3.91811  0.13328   3.8838   0.133778  
1 1 1 38 29 10 o 1.44709  0.209752  2.11538      0.60706  1.71511      0.845346 2.5416       0.872313 1.27013  0.329886  1.55506  0.291247  
1 1 1 38 29 11 o 3.05696  0.113068  9.37469      0.69129  10.061       0.929861 8.52664      1.03361  3.16345  0.146969  2.90868  0.177677  
1 1 1 38 29 12 o 3.32744  0.103338  11.1039      0.687699 10.7911      0.952512 11.4445      0.993917 3.27569  0.145391  3.37315  0.147327  
1 1 1 38 29 13 o 2.49124  0.130978  6.23692      0.652596 6.44161      0.910715 6.02088      0.935607 2.52634  0.180244  2.44098  0.191646  
1 1 1 38 29 14 o 3.10697  0.0964579 9.6807       0.599384 10.2939      0.824928 8.99498      0.872374 3.20029  0.128883  2.98945  0.145909  
1 1 1 38 29 15 o 1.17524  0.253165  1.46305      0.578052 2.25036      0.792508 0.568001     0.844992 1.45807  0.281825  0.88297  0.339254  
1 1 1 38 29 16 o 3.43672  0.102074  11.8555      0.701599 12.5272      0.971303 11.1227      1.01453  3.52726  0.137685  3.32102  0.152744  
1 1 1 38 29 17 o 1.77227  0.17765   3.17634      0.629686 2.89723      0.837241 3.53983      0.955442 1.68343  0.248671  1.85941  0.25692   
1 1 1 38 29 18 o 1.32568  0.208393  1.78742      0.552526 2.39521      0.829364 1.3024       0.740881 1.50079  0.286571  1.1054   0.317999  
1 1 1 38 29 19 o 1.2482   0.262811  1.65916      0.635461 0.896462     0.91275  2.37657      0.885236 0.992347 0.358155  1.48745  0.307968  
1 1 1 38 29 20 o 2.80174  0.117513  7.90377      0.658479 7.90315      0.932456 7.90439      0.93001  2.79204  0.166985  2.79236  0.166528  
1 1 1 38 29 21 o 2.24384  0.147843  5.09349      0.663474 4.5404       0.908488 5.72561      0.97124  2.10477  0.215816  2.36633  0.205221  
1 1 1 38 29 22 o 1.70329  0.200916  2.96965      0.684439 2.96484      0.993461 2.97401      0.944296 1.65226  0.312027  1.68627  0.279996  
1 1 1 38 29 23 o 3.06401  0.132027  9.49122      0.809066 8.49466      1.16512  10.4193      1.12435  2.87728  0.20247   3.19659  0.175867  
1 1 1 38 29 24 o 1.00051  0.325763  1.06255      0.746655 0.916063     1.01573  1.23477      1.10131  1.00047  0.375339  1.1009   0.393802  
1 1 1 38 29 25 o 1.52276  0.274827  2.51506      0.806377 2.42736      1.18551  2.59057      1.10006  1.44736  0.397541  1.50625  0.367837  
1 1 1 38 29 26 o 1.97769  0.197944  4.04182      0.782946 3.71925      1.09313  4.38161      1.12194  1.86158  0.293602  2.02838  0.27656   
1 1 1 38 29 27 o 1.35276  0.309548  2.06363      0.819749 1.82053      1.16874  2.29903      1.15008  1.24842  0.407569  1.39145  0.394895  
1 1 1 38 29 28 o 0.755156 0.315376  0.276967     0.79493  0.232978     1.11848  0.321867     1.13001  0.844916 0.364179  0.864647 0.369162  
1 1 1 38 29 29 o 0.622832 0.283152  -0.297044    0.771557 0.0728948    1.05685  -0.719225    1.12901  0.791655 0.347605  0.696877 0.326143  
1 1 1 38 29 30 o 0.886726 0.33162   0.822542     0.791658 1.03051      1.10014  0.5992       1.14008  0.984712 0.385258  0.897614 0.376438  
1 1 1 38 29 31 o 0.695511 0.303627  0.116389     0.796791 -0.107509    1.11037  0.354074     1.14405  0.751164 0.34101   0.83426  0.364015  
1 1 1 38 29 32 f 1.3155   0.320746  2.17717      0.837439 1.59676      1.17399  2.77847      1.19492  1.0779   0.403693  1.40303  0.403926  
1 1 1 38 29 33 o 0.661048 0.305018  -0.17609     0.94354  -0.374464    1.29469  0.0486093    1.37793  0.723654 0.340969  0.788153 0.365546  
1 1 1 38 29 34 o 0.780541 0.344808  0.544075     1.05686  1.34904      1.56602  -0.129185    1.43218  0.939178 0.416683  0.751398 0.355692  
1 1 1 38 29 35 o 0.801253 0.344349  0.914974     0.994577 1.73671      1.42736  0.139493     1.38661  0.928198 0.405785  0.727796 0.346974  
1 1 1 38 29 36 o 0.566559 0.277718  -0.726003    1.06774  -1.73676     1.63738  0.0218149    1.40839  0.598773 0.301442  0.677494 0.329079  
1 1 1 38 30 0  o 0.887344 0.372844  1.12399      0.661699 1.12399      0.661699 1.12399      0.661699 0.953647 0.282443  ?        ?         
1 1 1 38 30 1  o 1.96415  0.119637  3.86868      0.469971 3.87134      0.65667  3.86588      0.672906 1.96222  0.167328  1.96056  0.17161   
1 1 1 38 30 2  o 3.18187  0.0792554 10.1369      0.504362 9.95722      0.701465 10.3291      0.725703 3.15167  0.111285  3.20987  0.113043  
1 1 1 38 30 3  o 8.66491  0.0827883 75.1831      1.43471  75.08        1.99621  75.2932      2.06342  8.65346  0.115342  8.66499  0.119067  
1 1 1 38 30 4  o 4.85779  0.0771792 23.6264      0.74984  23.2508      1.06956  23.9895      1.05154  4.81595  0.111044  4.89224  0.10747   
1 1 1 38 30 5  o 0.937785 0.253535  0.920968     0.486908 1.29232      0.699018 0.570976     0.678619 1.1089   0.305565  0.836875 0.308151  
1 1 1 38 30 6  o 6.49872  0.0812885 42.2919      1.05654  42.4879      1.48247  42.0896      1.50617  6.5095   0.113869  6.47855  0.116243  
1 1 1 38 30 7  o 1.51146  0.204428  2.30519      0.61797  1.00789      0.855854 3.71826      0.893228 1.02642  0.348772  1.91712  0.23296   
1 1 1 38 30 8  o 4.59304  0.0856145 21.1311      0.786462 21.6882      1.10785  20.5651      1.11665  4.64961  0.119133  4.5271   0.12333   
1 1 1 38 30 9  o 3.08178  0.108628  9.52423      0.669537 8.96008      0.932263 10.1252      0.962184 2.98463  0.156177  3.17328  0.151607  
1 1 1 38 30 10 o 4.70192  0.0872436 22.1512      0.820425 20.9102      1.10422  23.6807      1.2258   4.56424  0.120964  4.85641  0.126204  
1 1 1 38 30 11 o 3.10421  0.111422  9.66918      0.691752 9.17782      0.920066 10.3081      1.04917  3.0199   0.152334  3.19886  0.163991  
1 1 1 38 30 12 o 4.20578  0.0928274 17.7329      0.780824 17.3021      1.09172  18.1841      1.11723  4.14922  0.131557  4.25371  0.131324  
1 1 1 38 30 13 o 3.50507  0.10306   12.3257      0.722463 12.9966      1.02042  11.6513      1.02302  3.59394  0.141963  3.40156  0.150376  
1 1 1 38 30 14 o 3.29919  0.110214  10.9281      0.727234 12.3876      1.02178  9.42973      1.03528  3.50724  0.145667  3.05622  0.169373  
1 1 1 38 30 15 o 4.53712  0.0846305 20.6387      0.767958 21.1012      1.04771  20.1016      1.12894  4.58277  0.11431   4.47058  0.126264  
1 1 1 38 30 16 o 2.84914  0.117734  8.15785      0.670879 7.39369      0.901086 9.10826      1.00492  2.70561  0.166522  3.00284  0.167328  
1 1 1 38 30 17 o 3.35228  0.107031  11.2876      0.717594 10.595       0.949287 12.211       1.09614  3.24155  0.146425  3.47772  0.157595  
1 1 1 38 30 18 o 4.30056  0.0958305 18.5631      0.824249 19.2434      1.26986  18.0678      1.08352  4.36802  0.145359  4.23657  0.127877  
1 1 1 38 30 19 o 1.42756  0.214655  2.0837       0.612866 1.0167       0.884434 3.06932      0.850035 1.01825  0.354006  1.7268   0.246131  
1 1 1 38 30 20 o 1.34734  0.240797  1.92179      0.625464 1.94229      0.871796 1.90005      0.897859 1.33157  0.328872  1.31534  0.339203  
1 1 1 38 30 21 o 2.83889  0.123936  8.13049      0.703684 6.87423      0.977747 9.4804       1.01354  2.59545  0.188358  3.05487  0.165889  
1 1 1 38 30 22 o 2.49344  0.142677  6.29476      0.711512 6.14706      1.01269  6.43874      0.99989  2.44721  0.206907  2.50689  0.199428  
1 1 1 38 30 23 o 2.61709  0.152359  6.95658      0.797477 6.93958      1.12222  6.97392      1.13347  2.59359  0.216345  2.59938  0.218027  
1 1 1 38 30 24 o 1.91312  0.210383  3.78171      0.804978 3.72056      1.11919  3.84724      1.15866  1.867    0.29973   1.89618  0.305525  
1 1 1 38 30 25 o 1.92625  0.211577  3.84046      0.815097 4.8318       1.17561  2.92274      1.13112  2.13567  0.275232  1.60272  0.361477  
1 1 1 38 30 26 o 1.39138  0.295807  2.15206      0.798449 2.35737      1.17654  1.97677      1.08711  1.41375  0.39883   1.30305  0.388322  
1 1 1 38 30 27 o 1.28242  0.316194  1.88533      0.80692  1.04081      1.14638  2.71464      1.13601  1.02807  0.395108  1.50935  0.377028  
1 1 1 38 30 28 o 0.83441  0.323769  0.613381     0.773679 0.0938308    1.08669  1.14744      1.10176  0.807304 0.353489  1.03682  0.39053   
1 1 1 38 30 29 o 0.876982 0.331642  0.765464     0.79701  0.79648      1.11195  0.732694     1.14298  0.942492 0.38081   0.934701 0.383023  
1 1 1 38 30 30 f 0.99868  0.3396    1.19357      0.811433 0.36298      1.16113  1.98638      1.13441  0.847752 0.368294  1.22647  0.401538  
1 1 1 38 30 31 o 1.52646  0.284861  2.74338      0.83732  3.08548      1.16071  2.3722       1.20906  1.53146  0.38023   1.30457  0.413638  
1 1 1 38 30 32 o 0.890582 0.346559  0.957779     0.887752 0.0648174    1.17011  2.16892      1.36273  0.763909 0.347664  1.17354  0.43584   
1 1 1 38 30 33 o 1.27463  0.370238  2.35356      0.999554 1.30897      1.37753  3.51512      1.45262  0.963256 0.409313  1.44091  0.452907  
1 1 1 38 30 34 o 0.773119 0.337436  0.67867      0.983681 -0.269254    1.39393  1.61904      1.38836  0.708803 0.340284  0.943839 0.406267  
1 1 1 38 30 35 o 0.76739  0.340619  0.689762     1.04804  0.507775     1.39522  0.925412     1.58765  0.771377 0.361286  0.827454 0.387078  
1 1 1 38 31 0  o 0.759142 0.369656  0.862539     0.654191 0.862539     0.654191 0.862539     0.654191 0.790765 0.308028  ?        ?         
1 1 1 38 31 1  o 2.96088  0.0849787 8.77997      0.503223 8.13754      0.700378 9.46554      0.723517 2.8482   0.122951  3.07222  0.117752  
1 1 1 38 31 2  o 3.08245  0.0814722 9.51466      0.502268 9.84348      0.710218 9.18566      0.710409 3.13326  0.113335  3.02646  0.117366  
1 1 1 38 31 3  o 1.0259   0.248943  1.10865      0.506321 1.07566      0.753023 1.13588      0.684029 1.03143  0.326376  1.04617  0.307052  
1 1 1 38 31 4  o 4.37963  0.0789686 19.2069      0.691707 18.3333      1.00613  19.9898      0.952512 4.27544  0.117664  4.46558  0.10665   
1 1 1 38 31 5  o 5.34145  0.0805212 28.5719      0.8602   27.838       1.24031  29.2521      1.19402  5.26816  0.117718  5.40128  0.110532  
1 1 1 38 31 6  f 2.76129  0.117146  7.64865      0.64695  7.28726      0.902504 8.03065      0.927875 2.69088  0.167697  2.82517  0.164216  
1 1 1 38 31 7  o 5.80766  0.0809584 33.7817      0.940358 32.4728      1.2925   35.2536      1.37067  5.68975  0.113582  5.92804  0.115609  
1 1 1 38 31 8  o 1.13321  0.269622  1.35921      0.603044 2.2459       0.851908 0.468658     0.85376  1.45604  0.302606  0.862915 0.338978  
1 1 1 38 31 9  o 6.36088  0.083405  40.5363      1.06106  41.3895      1.47042  39.6093      1.53263  6.42228  0.114478  6.28116  0.122002  
1 1 1 38 31 10 o 3.86854  0.0962133 15.0047      0.744411 15.0899      1.03352  14.9129      1.0731   3.87494  0.13336   3.85128  0.139318  
1 1 1 38 31 11 o 6.92856  0.0935152 48.129       1.29585  49.1914      1.85499  47.1163      1.81103  6.99562  0.132582  6.84656  0.132258  
1 1 1 38 31 12 o 2.12946  0.152991  4.56765      0.651579 5.33391      0.919002 3.7931       0.923962 2.29518  0.200203  1.93036  0.239323  
1 1 1 38 31 13 o 1.68669  0.188987  2.87867      0.637525 2.64357      0.882707 3.13502      0.921755 1.58046  0.290089  1.75031  0.263312  
1 1 1 38 31 14 o 2.94451  0.120557  8.7157       0.709961 7.95138      0.979403 9.56207      1.03063  2.80433  0.174623  3.07662  0.167493  
1 1 1 38 31 15 o 0.708753 0.293538  0.16066      0.679791 0.316341     0.925519 -0.0217178   1.00174  0.844481 0.345128  0.800383 0.344813  
1 1 1 38 31 16 o 2.65905  0.125346  7.11321      0.666601 7.68317      0.955277 6.57228      0.930638 2.75596  0.173311  2.54733  0.18267   
1 1 1 38 31 17 o 6.02918  0.0997722 36.4962      1.20309  32.1764      1.62711  41.7064      1.78695  5.64877  0.144023  6.433    0.138889  
1 1 1 38 31 18 o 3.82307  0.0928991 14.6749      0.71032  14.9139      1.00733  14.4385      1.00178  3.84649  0.130941  3.78436  0.132358  
1 1 1 38 31 19 o 2.54536  0.126328  6.53132      0.643099 6.0154       0.908462 7.04957      0.9105   2.43119  0.186835  2.63522  0.172756  
1 1 1 38 31 20 o 0.600564 0.266446  -0.185372    0.640288 0.134338     0.915809 -0.491085    0.895538 0.789878 0.334603  0.664885 0.303013  
1 1 1 38 31 21 o 4.52198  0.0924175 20.553       0.83582  18.9837      1.15879  22.2548      1.20672  4.3338   0.133692  4.69423  0.128533  
1 1 1 38 31 22 o 1.62343  0.219302  2.71819      0.712043 2.25579      0.969246 3.26033      1.0495   1.42123  0.344158  1.72759  0.315455  
1 1 1 38 31 23 o 2.14785  0.178589  4.72269      0.767165 4.99344      1.07155  4.43798      1.09884  2.18651  0.245036  2.0529   0.26763   
1 1 1 38 31 24 o 1.05184  0.33047   1.20686      0.7735   0.414451     1.14045  1.88191      1.05261  0.910854 0.378902  1.28502  0.38194   
1 1 1 38 31 25 o 2.53059  0.169303  6.56441      0.856872 7.27082      1.22045  5.87768      1.20333  2.63558  0.231535  2.35843  0.255113  
1 1 1 38 31 26 o 3.37932  0.133391  11.62        0.901542 10.3099      1.27427  12.933       1.27568  3.14832  0.202373  3.54035  0.180162  
1 1 1 38 31 27 o 2.19774  0.180608  5.01517      0.793857 5.2624       1.10491  4.75136      1.14135  2.21449  0.249472  2.0902   0.273023  
1 1 1 38 31 28 o 1.89094  0.211629  3.78308      0.800353 3.69917      1.11986  3.87069      1.14428  1.78604  0.325564  1.85608  0.308251  
1 1 1 38 31 29 o 1.48323  0.287919  2.53619      0.823618 2.7          1.20157  2.39102      1.13116  1.44361  0.401698  1.36363  0.393137  
1 1 1 38 31 30 o 1.73617  0.239545  3.33296      0.831781 2.72623      1.12568  4.06263      1.23447  1.43916  0.383889  1.80247  0.355085  
1 1 1 38 31 31 o 0.892806 0.346035  0.908109     0.883232 -0.605435    1.29934  2.20818      1.20423  0.725334 0.341708  1.23821  0.41371   
1 1 1 38 31 32 o 0.708003 0.318472  0.113464     0.945394 1.06833      1.3413   -0.829209    1.33272  0.930353 0.399865  0.688381 0.331026  
1 1 1 38 31 33 o 0.816584 0.347657  0.739026     0.997184 0.496261     1.40466  0.985679     1.41587  0.826212 0.377479  0.893529 0.396345  
1 1 1 38 31 34 o 0.48707  0.243535  -1.80495     0.997827 -0.550421    1.3536   -3.29802     1.4767   0.664233 0.322631  0.530679 0.269629  
1 1 1 38 31 35 o 0.844185 0.358537  1.27498      1.05602  1.54176      1.54681  1.04209      1.44524  0.853202 0.392436  0.797862 0.371707  
1 1 1 38 32 0  f 1.53664  0.232204  2.52889      0.664632 2.52889      0.664632 2.52889      0.664632 1.56614  0.153419  ?        ?         
1 1 1 38 32 1  o 3.84073  0.0739859 14.7694      0.56832  14.8474      0.801131 14.6904      0.806344 3.84855  0.104082  3.82804  0.105321  
1 1 1 38 32 2  o 6.87102  0.0706956 47.2647      0.971503 46.1677      1.38238  48.3353      1.3656   6.78669  0.101845  6.94473  0.0983188 
1 1 1 38 32 3  o 3.19976  0.089656  10.2575      0.573755 10.0026      0.82909  10.4918      0.794819 3.1564   0.131335  3.23347  0.122905  
1 1 1 38 32 4  o 2.32149  0.116623  5.4067       0.54148  6.25457      0.894037 4.91551      0.680486 2.49144  0.179422  2.2109   0.153893  
1 1 1 38 32 5  o 3.34565  0.105051  11.2236      0.702929 11.7182      0.990583 10.7218      0.997638 3.41443  0.145058  3.26513  0.152771  
1 1 1 38 32 6  o 4.40668  0.0873728 19.4566      0.770048 19.6211      1.07532  19.2834      1.10324  4.4213   0.121607  4.38249  0.125869  
1 1 1 38 32 7  o 1.37949  0.218846  1.92734      0.603791 1.84027      0.839643 2.02059      0.868886 1.31299  0.32181   1.37621  0.321222  
1 1 1 38 32 8  o 1.50292  0.201028  2.28427      0.604258 2.18011      0.850628 2.39037      0.858526 1.43168  0.306015  1.50354  0.296047  
1 1 1 38 32 9  o 3.90913  0.0954739 15.3216      0.746439 15.4267      1.03918  15.2097      1.07288  3.91778  0.132623  3.88933  0.137926  
1 1 1 38 32 10 o 1.31456  0.259202  1.82098      0.657206 2.00179      0.901904 1.61627      0.959641 1.36564  0.332795  1.23509  0.364068  
1 1 1 38 32 11 o 9.19247  0.102419  84.7826      1.88297  82.7711      2.58207  87.0674      2.75187  9.06847  0.142365  9.29844  0.147975  
1 1 1 38 32 12 o 2.46417  0.133583  6.10885      0.658345 6.31688      0.917809 5.88838      0.94486  2.49896  0.183638  2.41081  0.195963  
1 1 1 38 32 13 o 5.14652  0.0923495 26.5682      0.950558 26.5597      1.30373  26.5779      1.38889  5.13863  0.126856  5.13837  0.135149  
1 1 1 38 32 14 o 2.0953   0.163967  4.43249      0.687121 4.11088      0.93463  4.81076      1.01364  2.00799  0.232728  2.17209  0.233333  
1 1 1 38 32 15 o 3.65276  0.118988  13.4153      0.869273 13.5273      1.26571  13.3152      1.19594  3.65691  0.173057  3.63008  0.164726  
1 1 1 38 32 16 o 1.1793   0.297486  1.49487      0.702037 2.30138      1.07217  0.889586     0.928842 1.45029  0.368713  0.994528 0.361065  
1 1 1 38 32 17 o 1.40966  0.231774  2.03585      0.653444 2.28922      0.898835 1.75183      0.951642 1.45355  0.317928  1.26782  0.359024  
1 1 1 38 32 18 o 0.880755 0.306002  0.74565      0.660742 1.23114      0.94288  0.277183     0.926205 1.09343  0.366075  0.828774 0.342903  
1 1 1 38 32 19 o 0.630796 0.270721  0.00144435   0.613256 -0.103763    0.888082 0.0973387    0.847866 0.731064 0.319836  0.756346 0.321248  
1 1 1 38 32 20 o 3.10113  0.111022  9.68693      0.688585 10.427       1.00317  9.02764      0.946874 3.206    0.156453  2.9825   0.158738  
1 1 1 38 32 21 o 3.21566  0.114935  10.4272      0.739187 10.7184      1.03029  10.1182      1.06112  3.24784  0.158612  3.15244  0.168302  
1 1 1 38 32 22 o 1.09391  0.307087  1.3164       0.699189 2.00439      0.960357 0.540402     1.01993  1.3332   0.354105  0.907582 0.365535  
1 1 1 38 32 23 o 3.85465  0.110192  14.995       0.849505 13.0239      1.21059  16.9072      1.19238  3.57015  0.169544  4.07893  0.146163  
1 1 1 38 32 24 o 1.46133  0.282468  2.33842      0.796096 3.03502      1.14285  1.68177      1.10959  1.63103  0.359992  1.21897  0.397121  
1 1 1 38 32 25 o 2.73736  0.156324  7.6581       0.855829 7.36537      1.18184  7.98085      1.24097  2.6552   0.222553  2.76283  0.224584  
1 1 1 38 32 26 o 0.755527 0.311006  0.32139      0.756972 0.546777     1.09029  0.11164      1.05179  0.903027 0.372736  0.805852 0.350315  
1 1 1 38 32 27 o 2.64753  0.159944  7.23201      0.846913 6.74779      1.17483  7.7559       1.222    2.51387  0.233668  2.70048  0.226256  
1 1 1 38 32 28 o 2.0536   0.196857  4.44866      0.808528 3.54088      1.14634  5.34728      1.14054  1.72336  0.344769  2.21063  0.257969  
1 1 1 38 32 29 o 1.2038   0.337358  1.79289      0.844533 1.55093      1.16633  2.05957      1.22449  1.10416  0.404233  1.23625  0.417175  
1 1 1 38 32 30 f 1.28529  0.342332  2.0963       0.895991 1.35865      1.25999  2.8509       1.27438  1.04234  0.411055  1.4281   0.419093  
1 1 1 38 32 31 o 0.901938 0.346509  0.999441     0.881454 0.692872     1.19913  1.35982      1.30011  0.869208 0.375892  1.00236  0.409251  
1 1 1 38 32 32 o 0.869565 0.351217  0.93319      0.945366 -0.344018    1.31894  2.28263      1.35572  0.728692 0.343578  1.16441  0.434265  
1 1 1 38 32 33 f 0.635126 0.301615  -0.326829    1.03718  -0.33811     1.42673  -0.314184    1.51044  0.710032 0.341697  0.72428  0.349293  
1 1 1 38 32 34 o 0.711382 0.324503  0.335043     1.03225  0.455767     1.45786  0.213669     1.46178  0.773574 0.363708  0.749905 0.357044  
1 1 1 38 32 35 o 0.54948  0.27064   -0.799299    1.05032  -0.923588    1.52773  -0.687896    1.44637  0.615716 0.306962  0.619146 0.307269  
1 1 1 38 33 0  o 3.35063  0.114623  11.2845      0.766079 11.2845      0.766079 11.2845      0.766079 3.35496  0.0808373 ?        ?         
1 1 1 38 33 1  o 4.11657  0.0723393 16.9685      0.59558  17.3934      0.854266 16.5665      0.83078  4.16506  0.102551  4.06489  0.10219   
1 1 1 38 33 2  o 2.10667  0.108812  4.45142      0.45846  4.21111      0.641613 4.70211      0.655326 2.04574  0.156817  2.16216  0.151544  
1 1 1 38 33 3  o 8.81065  0.083089  77.7664      1.46414  75.0308      2.03443  80.7056      2.10877  8.64663  0.117643  8.96768  0.117576  
1 1 1 38 33 4  o 3.65293  0.0871935 13.3708      0.637023 14.9227      1.02582  12.3968      0.812716 3.85399  0.133085  3.51471  0.115617  
1 1 1 38 33 5  o 1.08497  0.279492  1.24771      0.610061 1.37645      0.846679 1.10872      0.879787 1.14693  0.342884  1.05999  0.353614  
1 1 1 38 33 6  o 1.63076  0.189365  2.68623      0.617617 2.44825      0.870476 2.92749      0.876439 1.52176  0.296592  1.69525  0.258499  
1 1 1 38 33 7  o 6.54434  0.0850626 42.9181      1.11336  43.9124      1.55437  41.8705      1.59548  6.61352  0.117515  6.45658  0.123555  
1 1 1 38 33 8  o 1.80242  0.174846  3.27844      0.630292 3.16629      0.882573 3.39517      0.90043  1.76302  0.250302  1.82612  0.246541  
1 1 1 38 33 9  o 5.8002   0.0886639 33.7246      1.02854  35.7076      1.44745  31.7021      1.46179  5.96186  0.121393  5.61561  0.130155  
1 1 1 38 33 10 o 4.25561  0.0986042 18.1676      0.839242 18.6381      1.13025  17.5893      1.25294  4.30495  0.131274  4.17848  0.149928  
1 1 1 38 33 11 o 4.26556  0.100022  18.2584      0.853299 16.7411      1.18281  19.9052      1.2322   4.07655  0.145075  4.44656  0.138556  
1 1 1 38 33 12 o 3.60696  0.104138  13.061       0.751245 13.4201      1.04733  12.6804      1.07819  3.64975  0.143479  3.54614  0.152023  
1 1 1 38 33 13 o 0.699548 0.285506  0.204333     0.632501 0.390005     0.89728  0.0209503    0.89173  0.852348 0.343032  0.765412 0.327403  
1 1 1 38 33 14 o 2.53374  0.149579  6.47547      0.757988 8.00792      1.06535  4.90438      1.07869  2.81031  0.189543  2.18895  0.246394  
1 1 1 38 33 15 o 4.2555   0.10787   18.1937      0.918084 18.8158      1.35598  17.6672      1.24752  4.31626  0.157078  4.18449  0.149065  
1 1 1 38 33 16 o 5.21142  0.113874  27.3183      1.18689  22.2684      1.72508  31.8574      1.63553  4.68307  0.184183  5.61732  0.145579  
1 1 1 38 33 17 o 2.55935  0.129658  6.60571      0.66368  5.44057      0.914554 7.9019       0.964617 2.30988  0.197966  2.79017  0.17286   
1 1 1 38 33 18 o 1.45498  0.226631  2.17611      0.659489 2.82428      0.878563 1.33945      0.998159 1.64892  0.266405  1.13073  0.376653  
1 1 1 38 33 19 o 0.467332 0.223405  -0.752675    0.584921 -1.28792     0.837548 -0.243078    0.817234 0.530772 0.256786  0.672672 0.299514  
1 1 1 38 33 20 o 2.75702  0.121976  7.67153      0.672584 6.51034      0.960148 8.79032      0.942453 2.52297  0.190281  2.9412   0.160216  
1 1 1 38 33 21 o 2.33935  0.150724  5.55794      0.70519  5.78654      0.971452 5.30329      1.0253   2.3716   0.204809  2.26336  0.226501  
1 1 1 38 33 22 f 4.36322  0.100921  19.1834      0.880682 19.3132      1.17496  19.017       1.33043  4.36509  0.134585  4.32259  0.153893  
1 1 1 38 33 23 o 3.31065  0.120413  11.0835      0.797294 11.6994      1.12626  10.4648      1.12883  3.38429  0.166395  3.19652  0.176573  
1 1 1 38 33 24 o 1.73806  0.231437  3.16321      0.804502 3.12388      1.23871  3.1919       1.05801  1.63638  0.384569  1.688    0.32499   
1 1 1 38 33 25 o 1.51109  0.28271   2.53331      0.82275  1.74693      1.15356  3.34751      1.17379  1.21958  0.404913  1.69773  0.356983  
1 1 1 38 33 26 o 0.948296 0.331818  0.973614     0.778099 -0.34392     1.10926  2.24985      1.09174  0.745227 0.338986  1.35829  0.384513  
1 1 1 38 33 27 o 0.641917 0.291511  -0.280767    0.812905 -0.455898    1.11282  -0.0803879   1.19033  0.724977 0.333207  0.803515 0.359519  
1 1 1 38 33 28 o 0.669817 0.297569  -0.0653818   0.802199 -0.0502918   1.13702  -0.0803376   1.13196  0.780166 0.350164  0.774108 0.34833   
1 1 1 38 33 29 o 0.894149 0.342368  0.872585     0.858163 0.48979      1.21954  1.24804      1.2078   0.872791 0.378281  1.02116  0.402532  
1 1 1 38 33 30 o 1.58175  0.295013  3.01558      0.898544 2.89163      1.24287  3.1513       1.30056  1.42317  0.412675  1.48006  0.419901  
1 1 1 38 33 31 o 0.860535 0.34319   0.889899     0.887406 1.46487      1.23794  0.282134     1.27275  1.00358  0.403325  0.801739 0.364268  
1 1 1 38 33 32 o 1.06379  0.376915  1.73498      1.00674  1.15259      1.42843  2.3098       1.41911  0.922545 0.404603  1.13349  0.438767  
1 1 1 38 33 33 o 0.807153 0.34885   0.909419     1.03164  1.13123      1.4538   0.684432     1.46418  0.850982 0.387354  0.797896 0.372656  
1 1 1 38 33 34 o 0.728517 0.33113   0.553542     1.05399  -0.576568    1.4964   1.6662       1.4848   0.668289 0.327965  0.887643 0.399206  
1 1 1 38 34 0  o 3.36043  0.113822  11.3516      0.762995 11.3516      0.762995 11.3516      0.762995 3.36485  0.0802729 ?        ?         
1 1 1 38 34 1  o 3.96978  0.0738198 15.7832      0.586097 15.2504      0.8348   16.301       0.823056 3.89899  0.107053  4.03162  0.102075  
1 1 1 38 34 2  o 6.81415  0.0719054 46.5003      0.979948 46.5532      1.43457  46.454       1.34179  6.81245  0.105291  6.80648  0.0985667 
1 1 1 38 34 3  o 3.15719  0.0929258 9.99239      0.586769 10.6509      0.883656 9.47307      0.784754 3.2551   0.135734  3.07076  0.127779  
1 1 1 38 34 4  o 2.44327  0.118951  5.99397      0.581256 5.68069      0.858601 6.25903      0.789748 2.37229  0.180964  2.49284  0.158403  
1 1 1 38 34 5  o 1.1917   0.265206  1.50512      0.615583 1.14036      0.849009 1.90943      0.893854 1.06432  0.347374  1.33431  0.335127  
1 1 1 38 34 6  o 5.69896  0.0848549 32.5488      0.967169 31.6419      1.37694  33.4321      1.35881  5.61238  0.12267   5.76999  0.117748  
1 1 1 38 34 7  o 4.1588   0.0926715 17.3418      0.770803 17.5504      1.07907  17.1245      1.10144  4.17843  0.129123  4.12669  0.133453  
1 1 1 38 34 8  o 4.09431  0.0965316 16.8137      0.790461 16.7925      1.08888  16.8374      1.14933  4.08602  0.133244  4.09017  0.140499  
1 1 1 38 34 9  o 3.29828  0.110285  10.9236      0.727504 11.3194      1.0179   10.5103      1.04015  3.3512   0.151871  3.22761  0.161134  
1 1 1 38 34 10 o 2.88549  0.127257  8.37478      0.734399 8.21784      0.975222 8.58038      1.11619  2.85158  0.170997  2.90986  0.191794  
1 1 1 38 34 11 o 2.34278  0.143258  5.52906      0.671244 4.88171      0.93359  6.22183      0.965794 2.19154  0.212998  2.47739  0.194922  
1 1 1 38 34 12 o 0.689685 0.284107  0.170018     0.632142 -0.0757159   0.881108 0.430659     0.90744  0.74083  0.321319  0.865731 0.346398  
1 1 1 38 34 13 o 0.995486 0.307123  1.03215      0.672147 1.64657      0.929443 0.358545     0.973185 1.23657  0.356318  0.869104 0.354333  
1 1 1 38 34 14 o 4.28263  0.11412   18.4369      0.977466 19.5427      1.34517  17.1997      1.42279  4.39993  0.152862  4.12244  0.172566  
1 1 1 38 34 15 o 2.29702  0.170558  5.34636      0.783552 4.48553      1.13521  6.12964      1.08286  2.08288  0.272508  2.44863  0.221116  
1 1 1 38 34 16 o 4.32723  0.114256  18.8479      0.988819 19.8701      1.39639  17.8198      1.40042  4.43007  0.157604  4.1921   0.167031  
1 1 1 38 34 17 o 2.44789  0.165229  6.08034      0.808925 6.32864      1.12657  5.81606      1.16225  2.48133  0.227009  2.37347  0.244842  
1 1 1 38 34 18 o 1.17528  0.27738   1.49726      0.642282 1.65417      0.851145 1.28973      0.978828 1.22559  0.336942  1.11058  0.372988  
1 1 1 38 34 19 o 2.06104  0.14584   4.30347      0.601166 3.899        0.848664 4.71084      0.851697 1.9461   0.218043  2.14437  0.198589  
1 1 1 38 34 20 o 3.39349  0.105022  11.6008      0.71278  12.4126      1.0148   10.8102      1.00138  3.49858  0.14503   3.26223  0.153481  
1 1 1 38 34 21 o 0.489674 0.2345    -0.841627    0.651724 0.113827     0.897703 -1.90643     0.947681 0.771179 0.329139  0.518822 0.255517  
1 1 1 38 34 22 o 2.08705  0.167185  4.44903      0.697846 3.90567      0.966727 5.04024      1.0084   1.9304   0.250396  2.20119  0.229057  
1 1 1 38 34 23 o 1.10676  0.316402  1.37194      0.735713 1.08555      1.07838  1.6213       1.00627  1.04509  0.387796  1.19327  0.377256  
1 1 1 38 34 24 o 2.17169  0.185614  4.87275      0.806191 3.47511      1.18677  6.07039      1.09858  1.73959  0.353402  2.40429  0.228463  
1 1 1 38 34 25 o 2.10001  0.199443  4.61153      0.837665 3.81163      1.21784  5.32979      1.15401  1.80933  0.349     2.22403  0.259442  
1 1 1 38 34 26 o 0.613379 0.28218   -0.429723    0.800156 -0.249532    1.05844  -0.670044    1.22236  0.739581 0.334587  0.735547 0.342355  
1 1 1 38 34 27 o 1.22189  0.338482  1.80472      0.855034 2.96829      1.26614  0.829217     1.15931  1.51847  0.408086  0.953405 0.387393  
1 1 1 38 34 28 o 0.700904 0.306297  0.101745     0.81259  0.612232     1.15687  -0.395384    1.14163  0.888792 0.376266  0.723627 0.334509  
1 1 1 38 34 29 o 0.857505 0.335113  0.768268     0.831909 -0.649396    1.15786  2.28104      1.19607  0.689099 0.324032  1.27917  0.412001  
1 1 1 38 34 30 o 1.44706  0.329728  2.70949      0.93332  1.47746      1.26904  4.16098      1.37744  1.02423  0.409714  1.69995  0.409417  
1 1 1 38 34 31 o 0.643238 0.29927   -0.260818    0.932859 1.27642      1.39445  -1.50607     1.25505  0.959191 0.409827  0.608222 0.299086  
1 1 1 38 34 32 o 0.627428 0.297606  -0.333994    1.00713  -0.376473    1.39823  -0.288191    1.45189  0.702498 0.338119  0.718835 0.345631  
1 1 1 38 34 33 o 0.647836 0.304556  -0.108915    1.02165  0.194472     1.44881  -0.408998    1.4409   0.745778 0.355258  0.690836 0.334711  
1 1 1 38 34 34 f 0.610037 0.292742  -0.103985    1.02884  1.47042      1.4575   -1.66761     1.45251  0.800865 0.373174  0.565411 0.284513  
1 1 1 38 35 0  o 0.877984 0.370853  1.10816      0.653939 1.10816      0.653939 1.10816      0.653939 0.94471  0.281575  ?        ?         
1 1 1 38 35 1  o 0.649811 0.250179  0.288327     0.460066 0.0847662    0.663794 0.476507     0.638223 0.683042 0.286882  0.788231 0.297156  
1 1 1 38 35 2  f 10.4434  0.0872423 109.316      1.82221  113.048      2.7131   106.249      2.45951  10.6062  0.127902  10.2855  0.119562  
1 1 1 38 35 3  o 4.56699  0.0848417 20.9034      0.774943 21.4977      1.13434  20.3833      1.06118  4.6259   0.122608  4.50521  0.117773  
1 1 1 38 35 4  o 2.42699  0.137069  5.92474      0.665329 5.71771      0.957715 6.11786      0.924973 2.37612  0.201529  2.45986  0.188014  
1 1 1 38 35 5  o 1.40811  0.225167  2.01473      0.634121 2.18795      0.876829 1.82479      0.918165 1.42984  0.315102  1.3027   0.346347  
1 1 1 38 35 6  o 4.8476   0.0896989 23.5611      0.869649 25.3468      1.23529  21.8064      1.22452  5.02198  0.122988  4.6564   0.131488  
1 1 1 38 35 7  o 1.80118  0.178129  3.27932      0.641685 2.98734      0.905007 3.57452      0.909972 1.70788  0.264951  1.8717   0.243087  
1 1 1 38 35 8  o 1.5124   0.216062  2.32557      0.653547 2.17829      0.893724 2.49485      0.958144 1.42299  0.321571  1.52372  0.324114  
1 1 1 38 35 9  o 1.3683   0.252812  1.97271      0.665827 2.57475      0.904509 1.26061      0.983712 1.55501  0.301601  1.11849  0.373917  
1 1 1 38 35 10 o 2.69721  0.126794  7.31674      0.683979 9.20123      0.971547 5.4649       0.963093 3.01927  0.160891  2.31973  0.207587  
1 1 1 38 35 11 o 2.41773  0.140229  5.88869      0.678074 5.67801      0.948713 6.10871      0.969508 2.36492  0.20058   2.45353  0.197574  
1 1 1 38 35 12 f 3.99963  0.103684  16.0652      0.8294   17.6336      1.19559  14.6102      1.15155  4.18231  0.142934  3.80507  0.151317  
1 1 1 38 35 13 f 5.26453  0.110713  27.8522      1.1657   30.2438      1.67574  25.6098      1.62265  5.47333  0.153082  5.03401  0.161169  
1 1 1 38 35 14 o 3.10856  0.141904  9.75419      0.882238 9.25838      1.22527  10.288       1.27135  3.01383  0.203275  3.17795  0.200027  
1 1 1 38 35 15 o 0.80093  0.308869  0.472055     0.70185  1.39374      0.975395 -0.517511    1.01068  1.14854  0.372271  0.7119   0.323758  
1 1 1 38 35 16 o 2.92282  0.140409  8.63367      0.820782 8.15331      1.1824   9.08041      1.14027  2.8221   0.209489  2.98406  0.19106   
1 1 1 38 35 17 o 1.22101  0.312956  1.63373      0.767758 2.30968      1.03288  0.799106     1.14772  1.43951  0.359464  1.00958  0.393806  
1 1 1 38 35 18 o 2.09484  0.177711  4.473        0.744552 3.51572      1.09301  5.30177      1.017    1.82537  0.299395  2.26775  0.224232  
1 1 1 38 35 19 o 1.95914  0.176403  3.91705      0.691197 4.05426      0.93989  3.75546      1.02002  1.97687  0.237722  1.89294  0.269428  
1 1 1 38 35 20 o 0.505337 0.238196  -0.663326    0.633024 -0.478663    0.887203 -0.854828    0.903481 0.657884 0.300334  0.609667 0.286551  
1 1 1 38 35 21 o 0.647617 0.279601  -0.00260069  0.66138  -0.131586    0.902512 0.147016     0.972016 0.723704 0.319305  0.803705 0.34274   
1 1 1 38 35 22 o 2.60734  0.140509  6.91086      0.732708 7.16801      1.0564   6.67248      1.01713  2.63331  0.200584  2.54084  0.200156  
1 1 1 38 35 23 o 2.6339   0.145064  7.0695       0.764169 7.12015      1.12075  7.0255       1.04466  2.61448  0.214335  2.60349  0.200626  
1 1 1 38 35 24 o 1.75479  0.217991  3.23933      0.765057 3.56562      1.09432  2.92738      1.07     1.77163  0.320615  1.58543  0.346974  
1 1 1 38 35 25 o 1.32066  0.319278  2.02964      0.835234 0.990587     1.20175  3.00054      1.16167  1.01321  0.400849  1.57646  0.373664  
1 1 1 38 35 26 o 1.28777  0.328409  1.96822      0.848626 3.33626      1.20729  0.632108     1.19311  1.65159  0.374107  0.926006 0.386526  
1 1 1 38 35 27 o 1.13808  0.345468  1.59468      0.855107 0.946604     1.24691  2.17007      1.17491  0.978793 0.400402  1.28183  0.407888  
1 1 1 38 35 28 o 1.03542  0.339672  1.33342      0.811776 1.87725      1.18347  0.850171     1.11559  1.17539  0.409419  0.923455 0.378409  
1 1 1 38 35 29 o 0.732485 0.316717  0.27869      0.851045 -0.0777795   1.1406   0.726393     1.27825  0.746887 0.340809  0.898739 0.388372  
1 1 1 38 35 30 o 1.31686  0.343581  2.36371      0.914347 2.51381      1.2967   2.21528      1.2895   1.24187  0.428942  1.16822  0.425298  
1 1 1 38 35 31 o 1.19283  0.383681  2.2059       1.03754  2.47092      1.43605  1.91648      1.50069  1.16028  0.443288  1.04289  0.434288  
1 1 1 38 35 32 o 0.535246 0.263616  -1.18325     1.00377  -1.57365     1.42244  -0.795993    1.41668  0.606282 0.301408  0.657325 0.321631  
1 1 1 38 35 33 f 0.887409 0.361271  1.38844      1.01019  0.760513     1.46852  1.9525       1.39182  0.783116 0.367476  0.944594 0.406685  
1 1 1 38 36 0  o 4.82408  0.100808  23.3406      0.971653 23.3406      0.971653 23.3406      0.971653 4.82762  0.0711944 ?        ?         
1 1 1 38 36 1  o 3.14143  0.0870926 9.89294      0.54719  9.36252      0.802808 10.3532      0.747804 3.05112  0.13156   3.21045  0.116464  
1 1 1 38 36 2  o 3.61844  0.075666  13.1178      0.547586 12.6725      0.781557 13.5471      0.767444 3.5527   0.109995  3.67397  0.104443  
1 1 1 38 36 3  o 2.54638  0.106649  6.50867      0.543139 6.39076      0.797328 6.61075      0.741894 2.51735  0.158366  2.56208  0.144783  
1 1 1 38 36 4  f 2.62655  0.132861  6.94034      0.69793  6.995        1.00419  6.88926      0.970704 2.62832  0.191033  2.60922  0.186014  
1 1 1 38 36 5  o 0.729349 0.289753  0.307133     0.630339 0.602491     0.87615  -0.00977294  0.907546 0.901144 0.345679  0.765724 0.329004  
1 1 1 38 36 6  f 5.35588  0.0895048 28.7685      0.958754 30.8456      1.37     26.7749      1.3422   5.53852  0.123679  5.15862  0.130093  
1 1 1 38 36 7  o 5.81436  0.0885527 33.9021      1.02975  34.1167      1.45076  33.6841      1.46189  5.82461  0.124537  5.7871   0.126306  
1 1 1 38 36 8  o 2.60937  0.134985  6.85316      0.704453 7.81988      0.989456 5.85944      1.00318  2.78055  0.177925  2.40178  0.208841  
1 1 1 38 36 9  o 6.24329  0.0921327 39.1009      1.15042  38.4223      1.62886  39.7763      1.62503  6.17862  0.131814  6.28734  0.129231  
1 1 1 38 36 10 o 2.63883  0.131122  7.0102       0.692019 6.63384      0.977712 7.38803      0.979616 2.55743  0.191152  2.70079  0.181357  
1 1 1 38 36 11 o 2.66205  0.135013  7.13808      0.718821 6.27041      1.00793  8.03616      1.02543  2.48362  0.202915  2.81612  0.182065  
1 1 1 38 36 12 o 1.67405  0.222388  2.86047      0.74458  2.59465      1.0841   3.09784      1.02442  1.54101  0.358232  1.70114  0.312804  
1 1 1 38 36 13 o 3.98912  0.11044   16.0078      0.881116 16.5608      1.23665  15.4375      1.25574  4.04667  0.152799  3.90467  0.1608    
1 1 1 38 36 14 o 1.23033  0.289938  1.63755      0.702579 1.18045      0.983811 2.1133       1.00368  1.08378  0.373693  1.38351  0.359512  
1 1 1 38 36 15 o 0.6218   0.279363  -0.290688    0.725306 -0.772615    1.08252  0.101897     0.977043 0.702727 0.325187  0.806785 0.343826  
1 1 1 38 36 16 o 3.73873  0.133898  14.1235      1.00122  13.6769      1.44032  14.541       1.39275  3.65723  0.196915  3.77611  0.184416  
1 1 1 38 36 17 o 1.37108  0.282557  2.03553      0.748328 2.19543      1.05962  1.87642      1.05698  1.398    0.372248  1.29665  0.382044  
1 1 1 38 36 18 o 1.38263  0.277381  2.06976      0.740004 1.67485      1.04437  2.46795      1.04869  1.22861  0.383598  1.48253  0.357349  
1 1 1 38 36 19 o 1.70275  0.198208  2.9825       0.674999 3.73991      0.889735 1.95545      1.03608  1.8963   0.234598  1.3117   0.375629  
1 1 1 38 36 20 o 0.913283 0.301201  0.870199     0.63831  2.16467      0.890596 -0.497158    0.915324 1.39134  0.325507  0.666332 0.30455   
1 1 1 38 36 21 o 1.7468   0.198546  3.14853      0.693641 3.60536      0.99942  2.72396      0.963479 1.84491  0.270859  1.56409  0.319049  
1 1 1 38 36 22 o 0.647174 0.280531  -0.00965499  0.670858 0.311466     0.962321 -0.313263    0.935711 0.829321 0.346714  0.699699 0.31567   
1 1 1 38 36 23 o 1.25898  0.288663  1.78098      0.711715 0.838216     1.01779  2.68313      0.995615 0.958168 0.371441  1.52722  0.335092  
1 1 1 38 36 24 o 1.04544  0.339323  1.25163      0.810174 2.26703      1.09388  0.0178209    1.2058   1.36373  0.384516  0.830937 0.367528  
1 1 1 38 36 25 o 1.28227  0.337905  1.95556      0.878831 0.482497     1.29027  3.23039      1.20031  0.922766 0.39424   1.62863  0.375863  
1 1 1 38 36 26 o 1.78643  0.231606  3.45231      0.827494 2.53424      1.14867  4.44279      1.1931   1.40597  0.393254  1.97514  0.30203   
1 1 1 38 36 27 o 2.28466  0.198606  5.59385      0.907495 4.80548      1.31019  6.32087      1.25817  2.00612  0.326548  2.36658  0.265822  
1 1 1 38 36 28 o 0.606733 0.279945  -0.343683    0.794696 0.527364     1.10005  -1.29448     1.14931  0.848609 0.363336  0.618086 0.299336  
1 1 1 38 36 29 o 0.609687 0.286412  -0.486264    0.900333 -0.355455    1.26105  -0.622266    1.28584  0.726668 0.340905  0.703819 0.334991  
1 1 1 38 36 30 o 1.29337  0.361943  2.38487      0.97279  1.69684      1.42493  2.98546      1.3313   1.03132  0.425928  1.34402  0.434848  
1 1 1 38 36 31 f 0.697983 0.320219  0.184276     1.0226   0.0361112    1.43693  0.336312     1.45559  0.744921 0.354351  0.777212 0.364913  
1 1 1 38 36 32 o 0.715812 0.325746  0.372676     1.02673  1.49065      1.45166  -0.746361    1.45235  0.899596 0.39991   0.667065 0.326224  
1 1 1 38 36 33 o 0.465493 0.234669  -1.865       1.00298  -2.08373     1.41605  -1.6448      1.42082  0.540721 0.273169  0.561569 0.282572  
1 1 1 38 37 0  o 3.18066  0.121263  10.1874      0.768849 10.1874      0.768849 10.1874      0.768849 3.18623  0.0854526 ?        ?         
1 1 1 38 37 1  o 1.13867  0.215986  1.35998      0.474051 1.59588      0.679071 1.13574      0.662071 1.22223  0.283128  1.0372   0.301337  
1 1 1 38 37 2  o 4.24091  0.0722974 18.0193      0.613214 17.6809      0.863445 18.3637      0.871037 4.19681  0.102869  4.27725  0.101822  
1 1 1 38 37 3  o 1.86746  0.136352  3.51078      0.509263 3.4708       0.758079 3.54366      0.687496 1.84897  0.205     1.87105  0.18372   
1 1 1 38 37 4  o 2.8115   0.125065  7.94899      0.703242 7.92944      1.01565  7.96699      0.974685 2.79929  0.181412  2.80731  0.173598  
1 1 1 38 37 5  o 1.63658  0.201023  2.71717      0.657982 2.55809      0.913943 2.88834      0.948049 1.54879  0.30594   1.64968  0.298281  
1 1 1 38 37 6  o 2.8178   0.128295  7.98685      0.72302  7.29472      1.02023  8.68517      1.02479  2.68337  0.190103  2.93088  0.174827  
1 1 1 38 37 7  o 3.46095  0.111248  12.0333      0.770049 11.5508      1.06172  12.5688      1.11853  3.38309  0.156915  3.5287   0.158491  
1 1 1 38 37 8  o 7.13467  0.0972622 51.0906      1.38787  50.0723      1.99211  52.051       1.93464  7.04885  0.141307  7.18937  0.134549  
1 1 1 38 37 9  o 0.604517 0.27152   -0.293487    0.68471  -0.0148111   0.94925  -0.595747    0.9886   0.779467 0.335728  0.69481  0.317125  
1 1 1 38 37 10 o 1.22389  0.288397  1.60733      0.695176 1.63068      1.01744  1.5869       0.952066 1.23433  0.377266  1.21679  0.363564  
1 1 1 38 37 11 o 1.11804  0.311258  1.34433      0.721253 1.86387      1.00687  0.796772     1.03366  1.3061   0.369113  0.991111 0.376836  
1 1 1 38 37 12 o 3.36062  0.125449  11.3824      0.843176 11.9451      1.18362  10.8027      1.20144  3.43097  0.172491  3.25943  0.184302  
1 1 1 38 37 13 o 3.10256  0.125465  9.703        0.778525 10.6805      1.1283   8.81469      1.07559  3.24319  0.173949  2.94402  0.182674  
1 1 1 38 37 14 o 0.681941 0.291938  0.0245844    0.710027 -0.329766    1.00561  0.376854     1.00266  0.737589 0.330223  0.874235 0.358576  
1 1 1 38 37 15 o 1.75687  0.230419  3.18204      0.809635 1.85854      1.13366  4.55982      1.15668  1.29438  0.398765  2.08917  0.276827  
1 1 1 38 37 16 o 2.15203  0.182909  4.72583      0.787249 4.86279      1.11958  4.59188      1.1072   2.16104  0.259038  2.09843  0.263815  
1 1 1 38 37 17 o 1.98007  0.19262   4.01572      0.762803 4.41415      1.09374  3.63838      1.06439  2.05372  0.266283  1.85806  0.286425  
1 1 1 38 37 18 o 2.63573  0.155007  7.06777      0.817114 8.04453      1.16435  6.11991      1.14699  2.79287  0.20845   2.42544  0.236451  
1 1 1 38 37 19 o 1.91112  0.223989  3.7909       0.85614  1.63209      1.18695  6.13211      1.23607  1.21493  0.410731  2.41725  0.255677  
1 1 1 38 37 20 o 1.33612  0.24533   1.92092      0.63109  1.5737       0.896345 2.26223      0.888697 1.1836   0.352585  1.42312  0.320018  
1 1 1 38 37 21 o 1.26993  0.273552  1.77645      0.674925 1.35767      0.976373 2.15967      0.934011 1.10946  0.37252   1.37556  0.340814  
1 1 1 38 37 22 o 0.624158 0.276299  -0.125821    0.683403 0.026088     0.980295 -0.269457    0.953227 0.772107 0.336926  0.709573 0.31945   
1 1 1 38 37 23 o 1.08605  0.340514  1.36226      0.821797 0.676511     1.15161  2.07382      1.17308  0.940642 0.384796  1.30026  0.406665  
1 1 1 38 37 24 o 0.560033 0.265715  -0.802266    0.803363 -0.482936    1.11423  -1.14799     1.15937  0.724347 0.333128  0.659838 0.315215  
1 1 1 38 37 25 o 2.12847  0.206282  4.80887      0.878131 4.06351      1.2689   5.49393      1.21648  1.83499  0.358541  2.22726  0.27309   
1 1 1 38 37 26 o 0.54554  0.262856  -1.01084     0.850651 -1.73229     1.1525   -0.147452    1.26078  0.589687 0.2889    0.792178 0.360624  
1 1 1 38 37 27 o 0.906281 0.343891  0.924048     0.859402 0.409327     1.23176  1.41227      1.19963  0.858458 0.376113  1.05365  0.4044    
1 1 1 38 37 28 o 1.86237  0.24569   3.95082      0.915135 4.82673      1.28936  3.06164      1.29909  1.96723  0.327708  1.43603  0.423685  
1 1 1 38 37 29 o 1.35913  0.341217  2.50618      0.926924 3.65653      1.30915  1.34976      1.3126   1.55291  0.413884  0.975809 0.406245  
1 1 1 38 37 30 o 0.772989 0.337681  0.55685      0.986931 0.321589     1.38932  0.796505     1.40223  0.794435 0.36792   0.855881 0.386266  
1 1 1 38 37 31 o 1.20488  0.384408  2.50929      1.04303  3.00262      1.45915  1.99383      1.49152  1.15947  0.445722  0.966958 0.418708  
1 1 1 38 37 32 o 0.582165 0.281915  -0.578574    1.01856  -2.57147     1.4381   1.42745      1.44282  0.544405 0.275084  0.856133 0.388679  
1 1 1 38 38 0  o 1.54517  0.383815  2.83365      1.02535  2.83365      1.02535  2.83365      1.02535  1.62648  0.237961  ?        ?         
1 1 1 38 38 1  o 2.05046  0.170147  4.31171      0.686704 4.31171      0.686704 4.31171      0.686704 2.06374  0.118539  ?        ?         
1 1 1 38 38 2  o 2.7078   0.131361  7.40642      0.70758  7.40642      0.70758  7.40642      0.70758  2.71467  0.0923965 ?        ?         
1 1 1 38 38 3  o 0.389142 0.272598  -0.645256    0.751635 -0.645256    0.751635 -0.645256    0.751635 0.302202 0.215844  ?        ?         
1 1 1 38 38 4  o 0.719053 0.419037  0.682203     0.978574 0.682203     0.978574 0.682203     0.978574 0.679681 0.368229  ?        ?         
1 1 1 38 38 5  o 0.495601 0.334669  -0.32364     0.93248  -0.32364     0.93248  -0.32364     0.93248  0.401818 0.274802  ?        ?         
1 1 1 38 38 6  o 2.23912  0.220097  5.20338      0.963791 5.20338      0.963791 5.20338      0.963791 2.26079  0.152309  ?        ?         
1 1 1 38 38 7  o 6.98592  0.141372  49.0569      1.97341  49.0569      1.97341  49.0569      1.97341  6.99497  0.0997895 ?        ?         
1 1 1 38 38 8  o 5.72531  0.134333  32.9521      1.53629  32.9521      1.53629  32.9521      1.53629  5.73281  0.0948044 ?        ?         
1 1 1 38 38 9  o 0.569577 0.369207  0.0580243    0.96616  0.0580243    0.96616  0.0580243    0.96616  0.485235 0.313109  ?        ?         
1 1 1 38 38 10 o 0.492782 0.337221  -0.468182    0.996265 -0.468182    0.996265 -0.468182    0.996265 0.394651 0.274032  ?        ?         
1 1 1 38 38 11 o 3.37297  0.188095  11.5826      1.25986  11.5826      1.25986  11.5826      1.25986  3.38831  0.131914  ?        ?         
1 1 1 38 38 12 o 2.86093  0.197255  8.38253      1.11635  8.38253      1.11635  8.38253      1.11635  2.87834  0.137844  ?        ?         
1 1 1 38 38 13 o 3.20038  0.182736  10.4378      1.16093  10.4378      1.16093  10.4378      1.16093  3.21569  0.128101  ?        ?         
1 1 1 38 38 14 o 0.934747 0.476704  1.37866      1.11026  1.37866      1.11026  1.37866      1.11026  0.972312 0.405836  ?        ?         
1 1 1 38 38 15 f 1.04568  0.487605  1.70087      1.12744  1.70087      1.12744  1.70087      1.12744  1.1231   0.392844  ?        ?         
1 1 1 38 38 16 o 3.38324  0.180962  11.6656      1.21647  11.6656      1.21647  11.6656      1.21647  3.39948  0.126917  ?        ?         
1 1 1 38 38 17 o 0.528878 0.356639  -0.295817    1.05227  -0.295817    1.05227  -0.295817    1.05227  0.433848 0.295115  ?        ?         
1 1 1 38 38 18 o 1.10333  0.501522  1.90468      1.18923  1.90468      1.18923  1.90468      1.18923  1.19837  0.396155  ?        ?         
1 1 1 38 38 19 f 0.628759 0.408626  0.121605     1.19343  0.121605     1.19343  0.121605     1.19343  0.54185  0.349068  ?        ?         
1 1 1 38 38 20 o 0.775448 0.444309  0.908713     1.07416  0.908713     1.07416  0.908713     1.07416  0.758797 0.392648  ?        ?         
1 1 1 38 38 21 o 0.507425 0.346218  -0.381965    1.03472  -0.381965    1.03472  -0.381965    1.03472  0.41288  0.284322  ?        ?         
1 1 1 38 38 22 o 1.14682  0.496144  2.07163      1.16471  2.07163      1.16471  2.07163      1.16471  1.26803  0.374054  ?        ?         
1 1 1 38 38 23 o 0.527714 0.362415  -0.463231    1.17301  -0.463231    1.17301  -0.463231    1.17301  0.430488 0.298518  ?        ?         
1 1 1 38 38 24 o 0.584714 0.382238  0.130563     1.06255  0.130563     1.06255  0.130563     1.06255  0.508299 0.328119  ?        ?         
1 1 1 38 38 25 o 1.16075  0.516712  2.26538      1.26177  2.26538      1.26177  2.26538      1.26177  1.30413  0.393061  ?        ?         
1 1 1 38 38 26 o 0.583259 0.390092  0.00151509   1.21031  0.00151509   1.21031  0.00151509   1.21031  0.502899 0.334196  ?        ?         
1 1 1 38 38 27 o 1.31591  0.512922  2.80683      1.28234  2.80683      1.28234  2.80683      1.28234  1.50346  0.346954  ?        ?         
1 1 1 38 38 28 o 0.540579 0.373772  -0.306204    1.28535  -0.306204    1.28535  -0.306204    1.28535  0.457676 0.315737  ?        ?         
1 1 1 38 38 29 o 3.20546  0.237635  11.254       1.50421  11.254       1.50421  11.254       1.50421  3.28201  0.162957  ?        ?         
1 1 1 38 38 30 o 0.852272 0.5079    1.84878      1.49092  1.84878      1.49092  1.84878      1.49092  0.949376 0.468117  ?        ?         
1 1 1 38 38 31 o 2.19179  0.404613  6.51563      1.59306  6.51563      1.59306  6.51563      1.59306  2.39149  0.241137  ?        ?         
1 1 1 38 38 32 o 0.508875 0.360577  -0.209669    1.40258  -0.209669    1.40258  -0.209669    1.40258  0.448904 0.314081  ?        ?         
1 1 1 39 0  0  o 11.6886  0.193254  136.785      4.51497  136.785      4.51497  136.785      4.51497  11.6921  0.136569  ?        ?         
1 1 1 39 0  1  o 23.0466  0.238995  531.611      11.0134  531.611      11.0134  531.611      11.0134  23.0516  0.168938  ?        ?         
1 1 1 39 0  2  o 13.9952  0.147007  195.973      4.11378  195.973      4.11378  195.973      4.11378  13.9971  0.103923  ?        ?         
1 1 1 39 0  3  o 26.2465  0.258461  689.538      13.5644  689.538      13.5644  689.538      13.5644  26.2528  0.182695  ?        ?         
1 1 1 39 0  4  o 19.2623  0.192     371.285      7.39507  371.285      7.39507  371.285      7.39507  19.2655  0.135727  ?        ?         
1 1 1 39 0  5  o 18.8055  0.187777  353.879      7.06086  353.879      7.06086  353.879      7.06086  18.8086  0.132741  ?        ?         
1 1 1 39 0  6  o 8.51104  0.103991  72.4785      1.76956  72.4785      1.76956  72.4785      1.76956  8.51224  0.0735104 ?        ?         
1 1 1 39 0  7  o 23.6798  0.224927  561.19       10.6503  561.19       10.6503  561.19       10.6503  23.6846  0.158999  ?        ?         
1 1 1 39 0  8  o 20.9309  0.213641  438.457      8.94129  438.457      8.94129  438.457      8.94129  20.9351  0.151019  ?        ?         
1 1 1 39 0  9  o 13.0958  0.156992  171.623      4.11054  171.623      4.11054  171.623      4.11054  13.0982  0.110972  ?        ?         
1 1 1 39 0  10 o 2.22328  0.213795  5.08143      0.930462 5.08143      0.930462 5.08143      0.930462 2.23927  0.148405  ?        ?         
1 1 1 39 0  11 o 1.36359  0.353947  2.19774      0.832516 2.19774      0.832516 2.19774      0.832516 1.43354  0.22106   ?        ?         
1 1 1 39 0  12 o 7.44394  0.102284  55.452       1.52215  55.452       1.52215  55.452       1.52215  7.44528  0.0722975 ?        ?         
1 1 1 39 0  13 f 10.1852  0.14305   103.834      2.91271  103.834      2.91271  103.834      2.91271  10.1876  0.101106  ?        ?         
1 1 1 39 0  14 o 5.46209  0.110182  29.8775      1.20254  29.8775      1.20254  29.8775      1.20254  5.46406  0.0778462 ?        ?         
1 1 1 39 0  15 o 4.27135  0.121303  18.2945      1.03437  18.2945      1.03437  18.2945      1.03437  4.27428  0.0856368 ?        ?         
1 1 1 39 0  16 o 5.22078  0.121135  27.3106      1.2633   27.3106      1.2633   27.3106      1.2633   5.22337  0.0855603 ?        ?         
1 1 1 39 0  17 o 9.79884  0.132248  96.1184      2.59069  96.1184      2.59069  96.1184      2.59069  9.80142  0.0934695 ?        ?         
1 1 1 39 0  18 o 1.79368  0.281244  3.45412      0.934785 3.45412      0.934785 3.45412      0.934785 1.83001  0.184928  ?        ?         
1 1 1 39 0  19 o 1.55545  0.340205  2.74726      0.925781 2.74726      0.925781 2.74726      0.925781 1.61631  0.210498  ?        ?         
1 1 1 39 0  20 o 0.476225 0.323449  -0.390095    0.889187 -0.390095    0.889187 -0.390095    0.889187 0.380873 0.262706  ?        ?         
1 1 1 39 0  21 o 7.66772  0.11425   58.8762      1.75119  58.8762      1.75119  58.8762      1.75119  7.6704   0.0807381 ?        ?         
1 1 1 39 0  22 o 0.911977 0.4488    1.24507      0.968283 1.24507      0.968283 1.24507      0.968283 0.945808 0.376258  ?        ?         
1 1 1 39 0  23 o 5.35201  0.121938  28.7207      1.30369  28.7207      1.30369  28.7207      1.30369  5.35558  0.0861147 ?        ?         
1 1 1 39 0  24 o 0.595532 0.375035  0.216939     0.918835 0.216939     0.918835 0.216939     0.918835 0.518651 0.321899  ?        ?         
1 1 1 39 0  25 o 4.97934  0.133989  24.8928      1.33217  24.8928      1.33217  24.8928      1.33217  4.98432  0.0945718 ?        ?         
1 1 1 39 0  26 o 3.30794  0.166389  11.0601      1.09445  11.0601      1.09445  11.0601      1.09445  3.31688  0.11699   ?        ?         
1 1 1 39 0  27 o 3.89787  0.166436  15.3345      1.29211  15.3345      1.29211  15.3345      1.29211  3.90698  0.117165  ?        ?         
1 1 1 39 0  28 o 2.59801  0.258431  7.01573      1.31233  7.01573      1.31233  7.01573      1.31233  2.62415  0.178714  ?        ?         
1 1 1 39 0  29 o 4.30764  0.16305   18.7236      1.40015  18.7236      1.40015  18.7236      1.40015  4.31737  0.114844  ?        ?         
1 1 1 39 0  30 o 0.75213  0.458467  0.614052     1.27123  0.614052     1.27123  0.614052     1.27123  0.685929 0.400777  ?        ?         
1 1 1 39 0  31 o 0.91623  0.484105  1.30278      1.17248  1.30278      1.17248  1.30278      1.17248  0.933467 0.418844  ?        ?         
1 1 1 39 0  32 o 0.673052 0.42015   0.403361     1.12227  0.403361     1.12227  0.403361     1.12227  0.601686 0.364611  ?        ?         
1 1 1 39 0  33 o 1.22933  0.497733  2.21437      1.1915   2.21437      1.1915   2.21437      1.1915   1.34463  0.363188  ?        ?         
1 1 1 39 0  34 o 1.25276  0.507458  2.3263       1.23834  2.3263       1.23834  2.3263       1.23834  1.37626  0.368929  ?        ?         
1 1 1 39 0  35 o 3.02268  0.232659  9.4835       1.38734  9.4835       1.38734  9.4835       1.38734  3.05161  0.161773  ?        ?         
1 1 1 39 0  36 o 0.861066 0.490576  1.17249      1.30112  1.17249      1.30112  1.17249      1.30112  0.853615 0.434256  ?        ?         
1 1 1 39 0  37 o 2.20635  0.327022  5.44775      1.34836  5.44775      1.34836  5.44775      1.34836  2.27527  0.213864  ?        ?         
1 1 1 39 0  38 o 0.669485 0.433478  0.328357     1.32623  0.328357     1.32623  0.328357     1.32623  0.595864 0.376805  ?        ?         
1 1 1 39 0  39 o 0.877559 0.514043  1.42642      1.48474  1.42642      1.48474  1.42642      1.48474  0.895141 0.461976  ?        ?         
1 1 1 39 0  40 o 0.884655 0.513236  1.556        1.45743  1.556        1.45743  1.556        1.45743  0.926228 0.461823  ?        ?         
1 1 1 39 0  41 o 1.05537  0.576519  2.58096      1.70752  2.58096      1.70752  2.58096      1.70752  1.218    0.502437  ?        ?         
1 1 1 39 0  42 o 0.953944 0.551711  2.46348      1.67566  2.46348      1.67566  2.46348      1.67566  1.11971  0.500717  ?        ?         
1 1 1 39 0  43 o 0.492968 0.356973  -1.33728     1.70698  -1.33728     1.70698  -1.33728     1.70698  0.41003  0.297553  ?        ?         
1 1 1 39 1  0  o 8.87644  0.106618  78.8343      1.89216  78.8343      1.89216  78.8343      1.89216  8.87765  0.0753678 ?        ?         
1 1 1 39 1  1  o 8.49318  0.0724647 72.1417      1.23091  70.7507      1.78311  73.4081      1.70131  8.41038  0.106007  8.56699  0.0992945 
1 1 1 39 1  2  o 6.26791  0.0645652 39.29        0.809377 40.3365      1.1486   38.2578      1.14071  6.35057  0.0904325 6.18475  0.0922193 
1 1 1 39 1  3  o 22.2441  0.155639  495.046      6.92408  494.344      10.0141  495.69       9.58426  22.2222  0.225318  22.2535  0.215343  
1 1 1 39 1  4  o 8.92785  0.0731486 79.7154      1.30612  80.7344      1.88563  78.7755      1.8109   8.9842   0.104941  8.8746   0.102027  
1 1 1 39 1  5  f 25.9298  0.18276   672.828      9.47786  669.687      13.1984  676.173      13.6189  25.8605  0.255185  25.9845  0.262059  
1 1 1 39 1  6  o 20.5106  0.142764  420.867      5.85634  418.318      8.15064  423.587      8.42017  20.4441  0.19934   20.5719  0.204652  
1 1 1 39 1  7  f 21.7396  0.15649   472.862      6.80403  471.326      9.59723  474.415      9.64768  21.6984  0.221151  21.7693  0.221589  
1 1 1 39 1  8  o 4.77576  0.0746339 22.8108      0.712867 23.8159      0.997031 21.7596      1.01964  4.87957  0.102164  4.66408  0.109308  
1 1 1 39 1  9  o 6.42007  0.0760523 41.223       0.976522 41.7486      1.39143  40.7129      1.37082  6.46041  0.107689  6.37977  0.107435  
1 1 1 39 1  10 o 8.52088  0.0809554 72.6177      1.37962  73.2654      2.03066  72.0625      1.88018  8.55795  0.118642  8.4876   0.110761  
1 1 1 39 1  11 o 7.47398  0.0726976 55.8685      1.08668  55.6178      1.55609  56.1072      1.51821  7.4566   0.104343  7.48939  0.101357  
1 1 1 39 1  12 o 16.633   0.123754  276.785      4.11682  276.487      5.67442  277.117      5.98185  16.6205  0.170705  16.6387  0.179758  
1 1 1 39 1  13 o 4.29072  0.0933553 18.4157      0.801124 19.2611      1.16729  17.663       1.10149  4.38742  0.133027  4.20152  0.131082  
1 1 1 39 1  14 o 1.87027  0.171299  3.502        0.64075  3.35726      0.919467 3.63864      0.893408 1.82995  0.251227  1.90541  0.23444   
1 1 1 39 1  15 f 4.81203  0.0867126 23.1637      0.834527 23.645       1.29055  22.8178      1.09405  4.8606   0.132756  4.77533  0.114552  
1 1 1 39 1  16 o 8.68343  0.0824542 75.4294      1.43197  76.0902      1.99544  74.7278      2.05615  8.71993  0.114418  8.64127  0.118973  
1 1 1 39 1  17 o 3.19655  0.113072  10.2258      0.722882 11.1823      0.98256  9.09723      1.06731  3.34179  0.147011  3.01327  0.177102  
1 1 1 39 1  18 o 3.62626  0.0977091 13.1586      0.708637 13.7793      1.01067  12.5583      0.993872 3.7096   0.136223  3.54129  0.140326  
1 1 1 39 1  19 o 5.0484   0.0829895 25.5012      0.837929 26.6763      1.2051   24.4014      1.16589  5.16191  0.11673   4.93685  0.11808   
1 1 1 39 1  20 o 4.27757  0.087836  18.3124      0.751449 18.0775      1.05714  18.5522      1.06836  4.24835  0.124418  4.30378  0.124119  
1 1 1 39 1  21 o 9.83792  0.0875002 96.8718      1.72164  97.8395      2.41939  95.8791      2.45045  9.88265  0.122406  9.78274  0.125243  
1 1 1 39 1  22 o 1.65417  0.20402   2.75207      0.674966 2.92056      0.946334 2.57761      0.962974 1.69983  0.278361  1.567    0.318343  
1 1 1 39 1  23 o 3.0556   0.118306  9.35733      0.722991 8.3125       1.0023   10.4907      1.0439   2.87619  0.174241  3.23222  0.161483  
1 1 1 39 1  24 o 6.43286  0.0820544 41.4333      1.05569  40.4233      1.47521  42.4934      1.51139  6.34999  0.116158  6.51056  0.116072  
1 1 1 39 1  25 o 3.68962  0.107783  13.6462      0.795354 14.0683      1.10705  13.196       1.14343  3.74231  0.147911  3.62331  0.157788  
1 1 1 39 1  26 f 5.07451  0.0929724 25.8046      0.943579 27.0184      1.37207  24.7154      1.29971  5.18696  0.132262  4.96117  0.130988  
1 1 1 39 1  27 o 2.76659  0.156031  7.70738      0.863348 8.32821      1.23208  7.10848      1.21013  2.86712  0.214864  2.64659  0.228621  
1 1 1 39 1  28 o 2.27053  0.188486  5.21474      0.855929 5.18819      1.22146  5.24036      1.19977  2.25065  0.271357  2.26316  0.265065  
1 1 1 39 1  29 o 2.61146  0.169565  6.89001      0.885625 6.93885      1.25872  6.84213      1.2463   2.60683  0.241427  2.58876  0.240714  
1 1 1 39 1  30 o 3.3524   0.145377  11.3331      0.974727 12.1211      1.35791  10.4955      1.4      3.45498  0.196515  3.20932  0.218114  
1 1 1 39 1  31 o 0.941221 0.334308  0.834771     0.792435 0.129581     1.11622  1.55133      1.12518  0.863809 0.367794  1.21165  0.399901  
1 1 1 39 1  32 f 1.66842  0.247951  2.88094      0.827374 2.52422      1.14909  3.26497      1.19227  1.49942  0.382013  1.71738  0.358791  
1 1 1 39 1  33 o 2.86347  0.157555  8.32702      0.90231  8.02122      1.27512  8.63373      1.277    2.78633  0.228817  2.89403  0.220626  
1 1 1 39 1  34 f 0.683873 0.305606  -0.249236    0.857724 -0.839601    1.20324  0.360682     1.22301  0.731661 0.340207  0.924764 0.388952  
1 1 1 39 1  35 o 3.8923   0.132341  15.3643      1.03022  14.1455      1.4391   16.6456      1.4755   3.70506  0.194207  4.02569  0.18326   
1 1 1 39 1  36 o 0.845422 0.342913  0.475566     0.906542 -0.640513    1.27504  1.61652      1.28917  0.770528 0.355168  1.19623  0.42625   
1 1 1 39 1  37 o 1.60558  0.304342  2.93452      0.941839 2.60076      1.34649  3.25426      1.3179   1.42872  0.433473  1.61934  0.407055  
1 1 1 39 1  38 o 2.28354  0.208976  5.54435      0.954413 5.3441       1.36505  5.73586      1.33494  2.16128  0.315797  2.25661  0.295784  
1 1 1 39 1  39 o 0.860927 0.36023   0.606673     1.04015  -0.550935    1.46305  1.7898       1.47908  0.785923 0.368432  1.14663  0.447097  
1 1 1 39 1  40 o 0.94997  0.369887  1.12884      1.0116   0.088529     1.37251  2.36607      1.49678  0.815561 0.372829  1.21621  0.455759  
1 1 1 39 1  41 o 0.81952  0.362856  0.550296     1.17948  1.11811      1.70098  0.0244237    1.63695  0.947086 0.426535  0.819318 0.385269  
1 1 1 39 1  42 o 1.04031  0.409993  2.10756      1.25274  1.0712       1.75771  3.17744      1.78591  0.856807 0.402052  1.11754  0.470022  
1 1 1 39 1  43 o 0.708176 0.332953  0.362182     1.22161  -0.508911    1.71412  1.26125      1.74143  0.686377 0.339219  0.815759 0.388894  
1 1 1 39 2  0  o 15.8815  0.172796  252.389      5.48706  252.389      5.48706  252.389      5.48706  15.8841  0.122149  ?        ?         
1 1 1 39 2  1  o 8.74957  0.0728132 76.5634      1.27417  77.2719      1.81272  75.8715      1.79137  8.78948  0.103119  8.70947  0.10284   
1 1 1 39 2  2  o 12.9383  0.0929286 167.431      2.40468  168.651      3.42366  166.242      3.37827  12.9842  0.131839  12.8912  0.13103   
1 1 1 39 2  3  o 11.8638  0.0893506 140.774      2.12008  141.144      3.04804  140.426      2.95081  11.8783  0.128302  11.8482  0.124525  
1 1 1 39 2  4  o 2.34426  0.0982031 5.49668      0.460427 6.33131      0.669523 4.7478       0.634197 2.51574  0.133067  2.17845  0.145561  
1 1 1 39 2  5  o 11.5487  0.0874082 133.394      2.0189   131.548      2.89885  135.132      2.81337  11.4674  0.126395  11.6228  0.121028  
1 1 1 39 2  6  o 8.62537  0.074303  74.406       1.28178  74.5827      1.8595   74.2461      1.76929  8.63503  0.107672  8.61562  0.102679  
1 1 1 39 2  7  o 20.5282  0.153849  421.632      6.3165   423.056      8.84602  420.15       9.02234  20.5575  0.215153  20.4862  0.220205  
1 1 1 39 2  8  o 15.2005  0.129541  231.146      3.93816  224.788      5.27408  239.159      5.92063  14.9874  0.175951  15.458   0.191508  
1 1 1 39 2  9  o 7.53146  0.0737978 56.7307      1.11161  55.1125      1.56754  58.3677      1.57661  7.42273  0.10559   7.63884  0.103197  
1 1 1 39 2  10 o 14.624   0.109341  213.931      3.198    212.299      4.68223  215.358      4.37835  14.5653  0.160732  14.6706  0.149222  
1 1 1 39 2  11 o 5.71904  0.0741284 32.7127      0.847887 32.6082      1.18418  32.8226      1.21459  5.70946  0.103703  5.72816  0.106019  
1 1 1 39 2  12 o 10.9921  0.0964115 120.861      2.11952  118.122      2.90485  123.979      3.09952  10.8653  0.133675  11.1311  0.139227  
1 1 1 39 2  13 o 14.3847  0.113888  207.019      3.2765   207.313      4.82933  206.768      4.46003  14.3909  0.167791  14.3731  0.155152  
1 1 1 39 2  14 o 6.09593  0.0787205 37.1704      0.959749 35.6369      1.40573  38.5093      1.31353  5.96784  0.117776  6.20405  0.105861  
1 1 1 39 2  15 o 5.84225  0.0802142 34.1428      0.937263 34.0744      1.31489  34.2134      1.33635  5.8355   0.112663  5.84733  0.114271  
1 1 1 39 2  16 o 2.97434  0.117538  8.85359      0.699197 8.57512      0.923458 9.22771      1.07035  2.92629  0.157787  3.03507  0.176331  
1 1 1 39 2  17 o 7.43147  0.0836847 55.2514      1.2438   54.2517      1.75155  56.2684      1.76654  7.3622   0.118956  7.49786  0.117803  
1 1 1 39 2  18 o 1.63356  0.197847  2.67632      0.646389 3.57281      0.92793  1.83123      0.900931 1.88588  0.24602   1.32234  0.339064  
1 1 1 39 2  19 o 8.12049  0.081155  65.9821      1.31804  65.7528      1.80971  66.2412      1.92346  8.10419  0.111652  8.13367  0.118241  
1 1 1 39 2  20 o 2.19902  0.149754  4.84744      0.658627 5.03931      0.921744 4.64729      0.941446 2.23973  0.205771  2.1502   0.21892   
1 1 1 39 2  21 o 2.65892  0.127846  7.08418      0.679865 7.76728      0.968236 6.41983      0.954851 2.78176  0.174033  2.52815  0.188844  
1 1 1 39 2  22 o 1.99304  0.165984  3.98793      0.661625 3.35146      0.936963 4.62092      0.934402 1.82203  0.257121  2.14229  0.218084  
1 1 1 39 2  23 o 7.809    0.0832204 61.0503      1.29974  61.4529      1.85352  60.6609      1.82306  7.83005  0.11836   7.77961  0.117169  
1 1 1 39 2  24 f 4.01561  0.0975232 16.1547      0.78323  15.1153      1.10465  17.2054      1.11068  3.88028  0.142342  4.14077  0.134115  
1 1 1 39 2  25 o 4.71454  0.0937    22.2687      0.883505 22.6378      1.238    21.8857      1.26125  4.74934  0.130334  4.66916  0.135062  
1 1 1 39 2  26 o 0.914123 0.320764  0.765264     0.727552 0.541245     1.02353  0.994059     1.03438  0.937219 0.370203  1.05852  0.381348  
1 1 1 39 2  27 o 5.66438  0.0997345 32.1792      1.12987  31.615       1.56239  32.7977      1.63589  5.60681  0.13933   5.70981  0.143253  
1 1 1 39 2  28 o 5.44093  0.106864  29.7179      1.16288  27.8126      1.71855  31.3272      1.57936  5.24979  0.163678  5.57801  0.141571  
1 1 1 39 2  29 o 3.60103  0.13133   13.0475      0.945847 12.7625      1.34837  13.3236      1.32715  3.54937  0.189944  3.62825  0.182891  
1 1 1 39 2  30 o 2.42692  0.183602  5.96965      0.891178 7.35865      1.23225  4.44648      1.29039  2.68419  0.229538  2.0683   0.311946  
1 1 1 39 2  31 o 1.66053  0.240938  2.83796      0.800172 3.38627      1.15733  2.33581      1.10754  1.76431  0.340122  1.45031  0.378021  
1 1 1 39 2  32 o 0.544529 0.261401  -1.10932     0.822205 -1.44653     1.15803  -0.766533    1.16758  0.652279 0.312423  0.735212 0.339263  
1 1 1 39 2  33 o 0.87107  0.337353  0.586559     0.839134 0.776095     1.1902   0.399227     1.18326  1.00924  0.399033  0.927809 0.385951  
1 1 1 39 2  34 o 0.921256 0.346199  0.757524     0.864847 2.23758      1.21181  -0.778905    1.23467  1.39045  0.408875  0.750301 0.347234  
1 1 1 39 2  35 o 2.4515   0.187725  6.1901       0.920414 7.45773      1.31143  4.95954      1.29211  2.66324  0.246209  2.146    0.301051  
1 1 1 39 2  36 o 1.70259  0.266608  3.11085      0.907847 2.78757      1.28743  3.43059      1.28037  1.51345  0.413654  1.70137  0.385184  
1 1 1 39 2  37 o 1.56703  0.311165  2.81621      0.940553 2.30292      1.31025  3.3619       1.35097  1.34722  0.430948  1.64004  0.412055  
1 1 1 39 2  38 o 0.870891 0.344862  0.700062     0.890249 0.92944      1.28148  0.486099     1.23767  0.98986  0.405586  0.898184 0.385005  
1 1 1 39 2  39 o 0.777112 0.342522  0.184794     1.03495  0.369032     1.46431  0.000888396  1.46298  0.897813 0.400308  0.848996 0.387019  
1 1 1 39 2  40 o 0.904936 0.364469  0.96945      1.01399  1.51339      1.4264   0.413764     1.44173  1.03527  0.42667   0.862144 0.390241  
1 1 1 39 2  41 o 0.830146 0.366124  0.634464     1.185    0.489057     1.6119   0.805471     1.74805  0.860517 0.397671  0.90752  0.417321  
1 1 1 39 2  42 o 0.721161 0.338046  0.221203     1.23079  -0.186015    1.73472  0.633996     1.74655  0.742893 0.361958  0.807718 0.386106  
1 1 1 39 2  43 o 0.604807 0.295377  -0.460109    1.1801   -0.566517    1.66695  -0.3532      1.67087  0.656486 0.326355  0.668625 0.331523  
1 1 1 39 3  0  o 0.380416 0.264399  -0.504601    0.669557 -0.504601    0.669557 -0.504601    0.669557 0.296302 0.209847  ?        ?         
1 1 1 39 3  1  o 19.2706  0.135859  371.5        5.23617  373.586      7.4453   369.458      7.36547  19.3208  0.192676  19.2138  0.191672  
1 1 1 39 3  2  o 22.3595  0.15847   500.214      7.08662  499.419      9.67626  501.134      10.4076  22.3365  0.216602  22.3731  0.232593  
1 1 1 39 3  3  o 5.41271  0.0655931 29.3001      0.710073 30.2032      1.00329  28.3939      1.0051   5.49525  0.091287  5.32808  0.0943213 
1 1 1 39 3  4  o 14.6875  0.102853  215.773      3.0213   215.738      4.31847  215.806      4.22847  14.6846  0.147041  14.687   0.143953  
1 1 1 39 3  5  o 7.63023  0.074284  58.2274      1.13361  58.6427      1.58241  57.7896      1.62475  7.65695  0.103332  7.60099  0.106877  
1 1 1 39 3  6  o 19.2089  0.144454  369.155      5.54958  366.775      7.69767  371.731      8.00812  19.1425  0.201062  19.2708  0.207778  
1 1 1 39 3  7  o 3.24141  0.0878369 10.5086      0.56943  11.3763      0.814825 9.68044      0.796094 3.37229  0.120812  3.11073  0.127959  
1 1 1 39 3  8  o 15.0081  0.112062  225.315      3.36369  223.038      4.72524  227.654      4.78937  14.9297  0.158249  15.0834  0.158763  
1 1 1 39 3  9  o 8.93442  0.0765608 79.8364      1.36805  80.0485      1.9454   79.6288      1.92421  8.94557  0.108735  8.92211  0.107834  
1 1 1 39 3  10 o 6.06428  0.073226  36.7811      0.888125 35.2107      1.26912  38.2881      1.24327  5.93289  0.106956  6.18685  0.100477  
1 1 1 39 3  11 o 8.09182  0.0825393 65.4913      1.33579  65.974       2.01365  65.1119      1.78511  8.12052  0.123985  8.06768  0.110633  
1 1 1 39 3  12 o 5.85544  0.091121  34.2959      1.06711  36.3019      1.6126   32.7332      1.4233   6.02325  0.133864  5.71977  0.124419  
1 1 1 39 3  13 o 7.51293  0.0761666 56.4571      1.14447  55.1962      1.60802  57.7515      1.62923  7.42766  0.108246  7.59768  0.107219  
1 1 1 39 3  14 o 6.10158  0.0777354 37.2397      0.948617 36.8563      1.38597  37.5775      1.30114  6.0691   0.114182  6.12844  0.106156  
1 1 1 39 3  15 o 11.4259  0.0945157 130.612      2.15985  132.971      3.09754  128.379      3.01318  11.5259  0.134373  11.3252  0.13303   
1 1 1 39 3  16 o 10.2043  0.0892576 104.178      1.82163  105.447      2.5251   102.8        2.63047  10.2641  0.123006  10.134   0.129785  
1 1 1 39 3  17 o 7.15826  0.0803696 51.2631      1.15061  50.2437      1.57657  52.425       1.68307  7.08527  0.111257  7.23715  0.11628   
1 1 1 39 3  18 o 12.1995  0.104091  148.956      2.53972  149.466      3.61207  148.458      3.57169  12.2149  0.147855  12.1738  0.146696  
1 1 1 39 3  19 o 10.7054  0.0914255 114.7        1.95749  114.731      2.65891  114.665      2.89242  10.7031  0.124212  10.6985  0.135179  
1 1 1 39 3  20 o 3.70649  0.0989771 13.7531      0.733715 15.8266      1.03883  11.6893      1.03643  3.97445  0.130689  3.41454  0.151767  
1 1 1 39 3  21 o 6.55665  0.0797567 43.0256      1.04587  43.5743      1.49679  42.502       1.462    6.59552  0.11347   6.51398  0.11222   
1 1 1 39 3  22 o 2.94764  0.116856  8.70623      0.6889   9.51766      0.983066 7.92325      0.965671 3.07919  0.159631  2.8086   0.171913  
1 1 1 39 3  23 o 3.53615  0.105273  12.5284      0.744518 12.3347      1.05206  12.7228      1.05376  3.50517  0.150072  3.56009  0.147996  
1 1 1 39 3  24 o 5.99111  0.0852062 35.9454      1.02096  35.8935      1.41957  36.001       1.46943  5.98275  0.118638  5.99113  0.122634  
1 1 1 39 3  25 o 3.69776  0.103319  13.706       0.764094 13.5448      1.08392  13.8653      1.0773   3.67144  0.147615  3.71493  0.144995  
1 1 1 39 3  26 o 1.98347  0.189622  3.97193      0.752219 3.3899       1.04387  4.60063      1.08491  1.82145  0.28655   2.12664  0.255076  
1 1 1 39 3  27 o 5.62793  0.099822  31.7694      1.12358  30.947       1.59526  32.579       1.58278  5.54563  0.143831  5.69113  0.139057  
1 1 1 39 3  28 o 1.38881  0.30223   2.06419      0.816081 2.63825      1.22098  1.60067      1.09715  1.55277  0.392696  1.23604  0.394245  
1 1 1 39 3  29 o 1.16624  0.347563  1.44472      0.870868 1.86648      1.25232  1.04977      1.21186  1.32463  0.421071  1.10223  0.410677  
1 1 1 39 3  30 o 2.36355  0.180636  5.66194      0.853883 4.66862      1.14428  6.91008      1.28269  2.12873  0.26877   2.59573  0.247077  
1 1 1 39 3  31 o 2.43483  0.172712  6.01844      0.84105  5.80383      1.21814  6.21394      1.16265  2.36954  0.257042  2.45798  0.236505  
1 1 1 39 3  32 o 1.27856  0.321418  1.79854      0.821656 1.01577      1.14923  2.61707      1.1752   1.06239  0.399111  1.52403  0.385164  
1 1 1 39 3  33 o 2.01029  0.215913  4.1667       0.868093 2.94248      1.23941  5.3456       1.21625  1.60671  0.389245  2.25805  0.269315  
1 1 1 39 3  34 o 1.14939  0.347655  1.47018      0.867002 1.83504      1.22801  1.10756      1.22425  1.27334  0.417775  1.08388  0.410692  
1 1 1 39 3  35 o 2.28271  0.200677  5.39456      0.916172 7.73836      1.30214  3.0968       1.28929  2.71438  0.239859  1.62108  0.399671  
1 1 1 39 3  36 o 1.90035  0.241183  3.83782      0.916665 3.96661      1.28998  3.70644      1.30284  1.84388  0.362723  1.76807  0.379378  
1 1 1 39 3  37 o 0.872171 0.348626  0.630575     0.917845 0.353987     1.2686   0.934405     1.32961  0.898463 0.387561  1.01816  0.41448   
1 1 1 39 3  38 o 1.16651  0.358234  1.68846      0.915904 2.23581      1.256    1.06683      1.3385   1.29607  0.422509  1.01852  0.41545   
1 1 1 39 3  39 o 1.0143   0.375898  1.27677      1.01259  2.48931      1.44249  0.0988236    1.42177  1.29962  0.452073  0.85027  0.385968  
1 1 1 39 3  40 o 0.869237 0.364468  0.813954     1.06838  0.982357     1.54679  0.660315     1.47742  0.943946 0.417048  0.891823 0.399744  
1 1 1 39 3  41 o 0.744956 0.341135  0.139684     1.15457  0.760767     1.62077  -0.500209    1.64513  0.884349 0.404639  0.762838 0.367063  
1 1 1 39 3  42 o 0.869434 0.375934  1.28628      1.19906  3.07545      1.73443  -0.351638    1.6595   1.08799  0.46066   0.718866 0.350927  
1 1 1 39 3  43 o 0.731225 0.341834  0.796706     1.2356   0.986417     1.70522  0.586989     1.79289  0.75096  0.363928  0.725586 0.357015  
1 1 1 39 4  0  o 4.94167  0.0907853 24.447       0.896579 24.447       0.896579 24.447       0.896579 4.94303  0.0641527 ?        ?         
1 1 1 39 4  1  o 17.7684  0.126035  315.825      4.47887  314.037      6.30257  317.648      6.36608  17.715   0.177888  17.8165  0.178657  
1 1 1 39 4  2  o 13.1024  0.100215  171.71       2.62613  174.376      3.72271  169.07       3.70516  13.2023  0.140987  12.9998  0.142508  
1 1 1 39 4  3  o 9.57821  0.0835223 91.756       1.59999  91.2821      2.22716  92.2614      2.30004  9.55274  0.116572  9.60376  0.119747  
1 1 1 39 4  4  o 8.53578  0.0810266 72.8702      1.38325  71.5558      1.84168  74.5712      2.09516  8.45795  0.108873  8.63404  0.121331  
1 1 1 39 4  5  o 5.27749  0.0828361 27.8563      0.874334 28.0328      1.31003  27.7145      1.17409  5.29367  0.123736  5.26371  0.111527  
1 1 1 39 4  6  o 21.3312  0.16159   455.302      6.89382  457.806      9.78727  452.836      9.71184  21.383   0.228857  21.2667  0.228335  
1 1 1 39 4  7  o 7.24968  0.0755214 52.5653      1.09501  52.6739      1.65868  52.4814      1.45784  7.25649  0.11429   7.24348  0.100631  
1 1 1 39 4  8  o 10.1035  0.0842758 102.1        1.70296  100.967      2.42617  103.2        2.39092  10.0463  0.120749  10.1569  0.1177    
1 1 1 39 4  9  o 5.16574  0.077197  26.6893      0.797559 25.2326      1.14956  28.0412      1.10745  5.02228  0.114447  5.29458  0.104584  
1 1 1 39 4  10 o 13.8143  0.109336  190.902      3.0208   187.815      4.41144  193.627      4.14509  13.6992  0.161011  13.9104  0.148993  
1 1 1 39 4  11 o 6.45797  0.0770597 41.7135      0.9953   41.9216      1.51118  41.554       1.32271  6.47325  0.116725  6.44514  0.102613  
1 1 1 39 4  12 o 6.49057  0.0735858 42.136       0.955228 41.7918      1.33388  42.4984      1.36858  6.46337  0.103188  6.51773  0.104989  
1 1 1 39 4  13 o 6.35988  0.0769434 40.4586      0.978702 39.6139      1.35574  41.3779      1.4143   6.29233  0.107729  6.43084  0.109963  
1 1 1 39 4  14 o 18.1331  0.12987   329.083      4.7099   325.4        6.53263  333.071      6.79684  18.0243  0.181218  18.2346  0.186372  
1 1 1 39 4  15 o 10.8436  0.0890245 117.635      1.93069  115.653      2.75025  119.561      2.71097  10.7493  0.127927  10.9297  0.124018  
1 1 1 39 4  16 o 6.37474  0.0810919 40.654       1.03388  40.9266      1.35982  40.2807      1.59166  6.3951   0.106317  6.34355  0.125455  
1 1 1 39 4  17 o 3.1222   0.113236  9.75714      0.707093 9.92319      0.969618 9.56852      1.03339  3.14738  0.154036  3.09015  0.167207  
1 1 1 39 4  18 o 7.11851  0.081402  50.7022      1.15892  49.2664      1.65502  52.0836      1.62336  7.01477  0.117967  7.21293  0.112531  
1 1 1 39 4  19 o 9.61171  0.0849157 92.4551      1.63237  93.9934      2.33792  90.9918      2.28021  9.68766  0.120665  9.53184  0.11961   
1 1 1 39 4  20 o 3.57144  0.10018   12.7702      0.71557  13.9449      1.02318  11.6456      1.00112  3.73016  0.13715   3.40824  0.146867  
1 1 1 39 4  21 o 4.02989  0.0920157 16.259       0.741627 16.6927      1.03204  15.7959      1.06645  4.08116  0.126439  3.96946  0.134331  
1 1 1 39 4  22 o 0.672873 0.281444  0.0839304    0.63458  -0.0963934   0.89701  0.264594     0.897855 0.751898 0.325134  0.832023 0.339966  
1 1 1 39 4  23 o 2.38034  0.141283  5.68655      0.672605 5.97215      0.953498 5.40368      0.948932 2.43531  0.195765  2.31574  0.204888  
1 1 1 39 4  24 o 1.35144  0.259837  1.91149      0.677251 1.65678      0.925841 2.20465      0.993265 1.25371  0.353834  1.43889  0.348373  
1 1 1 39 4  25 o 3.55751  0.107445  12.6901      0.764476 12.0388      1.05799  13.4017      1.10586  3.46026  0.152877  3.65106  0.151444  
1 1 1 39 4  26 o 2.16077  0.174636  4.7086       0.754697 5.25435      1.05401  4.13444      1.08111  2.27543  0.231607  2.01338  0.268481  
1 1 1 39 4  27 o 3.80762  0.119396  14.5627      0.90923  14.3326      1.31652  14.7726      1.25722  3.76773  0.17471   3.82724  0.164246  
1 1 1 39 4  28 f 2.71249  0.159666  7.42524      0.866186 7.66396      1.29244  7.2306       1.16707  2.74088  0.235771  2.66591  0.218889  
1 1 1 39 4  29 o 1.03703  0.351417  1.06524      0.868887 0.785585     1.19187  1.38244      1.26937  1.03261  0.401612  1.19475  0.42324   
1 1 1 39 4  30 o 4.97463  0.107839  24.8767      1.07291  25.0335      1.5158   24.7193      1.51887  4.97735  0.15227   4.94559  0.153558  
1 1 1 39 4  31 o 0.780591 0.319174  0.285326     0.791947 0.690552     1.16446  -0.0633992   1.08024  0.992934 0.394027  0.813359 0.354317  
1 1 1 39 4  32 o 2.04143  0.203665  4.27128      0.831538 5.47111      1.18846  3.12058      1.16387  2.29308  0.259141  1.67525  0.35786   
1 1 1 39 4  33 o 1.71139  0.248503  3.0544       0.85057  4.3293       1.2155   1.83109      1.19066  2.01818  0.301138  1.27746  0.41103   
1 1 1 39 4  34 f 2.00567  0.221657  4.17367      0.88914  4.47562      1.25829  3.87254      1.25658  2.04276  0.307988  1.85909  0.350777  
1 1 1 39 4  35 o 1.92901  0.231454  3.89682      0.892954 3.22039      1.2632   4.57244      1.26245  1.66037  0.387158  2.05443  0.30725   
1 1 1 39 4  36 f 1.96133  0.234029  4.08521      0.918017 2.70863      1.28776  5.50766      1.30904  1.47673  0.417469  2.24067  0.29211   
1 1 1 39 4  37 f 1.03734  0.359733  1.23257      0.912792 1.31271      1.24451  1.13927      1.34286  1.08515  0.413225  1.05805  0.422106  
1 1 1 39 4  38 o 1.40793  0.334665  2.41719      0.92978  1.30995      1.257    3.75489      1.38163  1.05451  0.411964  1.68823  0.412207  
1 1 1 39 4  39 o 0.832973 0.352771  0.521663     1.01755  -0.5836      1.53946  1.37919      1.356    0.793552 0.37329   1.04881  0.421864  
1 1 1 39 4  40 f 0.781701 0.34954   0.315648     1.12361  0.808873     1.60847  -0.154427    1.57027  0.916473 0.413649  0.802376 0.377314  
1 1 1 39 4  41 o 0.675269 0.323391  -0.489923    1.23971  1.45148      1.65719  -2.95702     1.86813  0.94627  0.423777  0.64101  0.322557  
1 1 1 39 4  42 o 0.682419 0.325795  -0.14516     1.23348  -1.23768     1.66075  1.19902      1.84212  0.666152 0.330351  0.861008 0.405988  
1 1 1 39 5  0  o 22.8815  0.231916  524.035      10.6107  524.035      10.6107  524.035      10.6107  22.8866  0.163933  ?        ?         
1 1 1 39 5  1  o 5.45585  0.068985  29.7694      0.752743 29.1638      1.05487  30.3978      1.07448  5.39978  0.0976772 5.51283  0.0974526 
1 1 1 39 5  2  o 4.05907  0.0772793 16.4783      0.627365 16.8234      0.881566 16.1241      0.893    4.1011   0.107479  4.01492  0.11121   
1 1 1 39 5  3  o 11.2041  0.0970238 125.558      2.17412  123.21       2.9484   128.356      3.21869  11.0978  0.132838  11.3268  0.142083  
1 1 1 39 5  4  o 32.0646  0.239441  1029.51      15.3551  1027.54      21.6735  1031.5       21.7576  32.0122  0.33852   32.0735  0.339183  
1 1 1 39 5  5  o 4.68815  0.0795494 21.9821      0.745879 22.2083      1.06884  21.7673      1.04136  4.71183  0.113421  4.66484  0.111618  
1 1 1 39 5  6  f 20.736   0.15561   430.241      6.45343  427.262      8.94549  433.474      9.31902  20.6581  0.216513  20.8069  0.223941  
1 1 1 39 5  7  o 5.19713  0.0733317 27.014       0.762229 26.0496      1.07755  27.9798      1.07836  5.10312  0.105577  5.28887  0.101946  
1 1 1 39 5  8  o 10.5536  0.0858318 111.401      1.81167  107.597      2.56568  115.184      2.5585   10.3707  0.123699  10.7303  0.119219  
1 1 1 39 5  9  o 9.44715  0.0869038 89.2686      1.64199  87.8618      2.54327  90.2741      2.15016  9.37091  0.1357    9.49947  0.113173  
1 1 1 39 5  10 o 19.1779  0.145559  368.037      5.58301  367.977      8.25092  368.088      7.58249  19.1687  0.215219  19.1738  0.197731  
1 1 1 39 5  11 o 8.81798  0.0804451 77.7746      1.41873  79.749       2.09931  76.1148      1.9248   8.92804  0.117568  8.72249  0.110335  
1 1 1 39 5  12 o 3.2256   0.101777  10.4089      0.656586 10.0442      0.935492 10.763       0.921766 3.16783  0.147655  3.27936  0.14054   
1 1 1 39 5  13 o 3.70192  0.0959447 13.7101      0.710359 12.984       0.977842 14.5214      1.03368  3.60178  0.135744  3.80905  0.135687  
1 1 1 39 5  14 o 6.44607  0.0748233 41.564       0.964631 41.9213      1.33075  41.1684      1.40029  6.47288  0.102795  6.41426  0.109154  
1 1 1 39 5  15 o 2.23573  0.150896  5.0052       0.674727 4.72825      0.922165 5.32429      0.989843 2.17157  0.212327  2.30431  0.214781  
1 1 1 39 5  16 o 7.21723  0.0795786 52.1104      1.14867  53.9937      1.60755  50.1455      1.64194  7.34508  0.10943   7.07814  0.115986  
1 1 1 39 5  17 o 9.23858  0.0840923 85.398       1.55379  87.774       2.19948  83.0311      2.1953   9.36373  0.117447  9.10697  0.120529  
1 1 1 39 5  18 o 2.58378  0.129234  6.68648      0.667827 7.13503      0.956724 6.26024      0.932636 2.6671   0.179356  2.49794  0.186681  
1 1 1 39 5  19 o 6.6023   0.0783701 43.6196      1.03485  43.3172      1.46882  43.9176      1.45822  6.57711  0.111662  6.62266  0.110093  
1 1 1 39 5  20 f 9.91626  0.0863642 98.4236      1.71282  99.9371      2.47754  97.0379      2.37059  9.98727  0.124035  9.84187  0.120434  
1 1 1 39 5  21 o 5.81818  0.0784058 33.881       0.912358 33.641       1.27262  34.1348      1.30867  5.79505  0.109803  5.83722  0.112097  
1 1 1 39 5  22 o 7.34136  0.0801587 53.9523      1.17695  55.8573      1.68255  52.1272      1.64693  7.46594  0.112682  7.21215  0.114178  
1 1 1 39 5  23 o 2.76474  0.129455  7.66812      0.71582  9.15477      0.997819 6.09178      1.02748  3.01785  0.165319  2.45797  0.209009  
1 1 1 39 5  24 o 2.56614  0.134737  6.61028      0.691509 6.80302      0.972365 6.41306      0.983614 2.59876  0.187083  2.52238  0.194977  
1 1 1 39 5  25 o 1.92145  0.183303  3.72251      0.704418 4.49009      0.966011 2.85088      1.0294   2.10542  0.22941   1.64054  0.325305  
1 1 1 39 5  26 o 4.85478  0.101703  23.639       0.987495 23.3398      1.38295  23.9503      1.41052  4.81697  0.143549  4.87936  0.144539  
1 1 1 39 5  27 o 2.62051  0.148808  6.91649      0.779906 5.65344      1.13098  8.06166      1.07691  2.35543  0.240079  2.82243  0.190777  
1 1 1 39 5  28 o 3.28542  0.140424  10.8704      0.922703 10.3902      1.40293  11.2364      1.22491  3.19564  0.219507  3.33177  0.183823  
1 1 1 39 5  29 o 1.15424  0.343508  1.41853      0.851064 0.469594     1.14721  2.57998      1.26919  0.948908 0.385433  1.52893  0.40753   
1 1 1 39 5  30 o 3.33532  0.135887  11.2261      0.906454 11.3002      1.29869  11.1557      1.26578  3.33062  0.194962  3.31043  0.19118   
1 1 1 39 5  31 o 0.757124 0.315883  0.187676     0.796266 0.0922691    1.13696  0.279521     1.11553  0.859899 0.368815  0.889178 0.372608  
1 1 1 39 5  32 o 2.39829  0.178387  5.86452      0.855647 5.02763      1.21239  6.69502      1.20776  2.19073  0.27671   2.54331  0.237438  
1 1 1 39 5  33 o 1.03204  0.345824  1.12484      0.841448 0.350418     1.19745  1.88026      1.18266  0.916812 0.385201  1.28796  0.409171  
1 1 1 39 5  34 o 2.57912  0.177489  6.81333      0.915532 8.01708      1.29563  5.61284      1.29388  2.77367  0.233559  2.29998  0.281281  
1 1 1 39 5  35 o 1.26166  0.342779  1.82265      0.88732  1.50621      1.2495   2.14457      1.26029  1.17143  0.419417  1.34358  0.42177   
1 1 1 39 5  36 o 0.903378 0.352122  0.735964     0.917269 -0.00990064  1.26662  1.55851      1.33014  0.844836 0.374794  1.16363  0.430908  
1 1 1 39 5  37 o 2.14276  0.21787   4.88642      0.933685 5.3419       1.27998  4.36843      1.36497  2.18748  0.29257   1.90005  0.372472  
1 1 1 39 5  38 o 0.840213 0.344732  0.590439     0.927024 0.34803      1.23473  0.903615     1.40344  0.858749 0.376401  0.98173  0.41496   
1 1 1 39 5  39 o 0.854209 0.353936  0.671752     0.988995 0.07529      1.42328  1.22865      1.37526  0.837869 0.381889  1.01111  0.418061  
1 1 1 39 5  40 o 0.997013 0.389022  1.44374      1.12019  -0.458629    1.68086  2.96377      1.50248  0.787362 0.376949  1.29764  0.460387  
1 1 1 39 5  41 o 0.794365 0.363635  0.581789     1.31064  -0.42878     1.68982  2.1076       2.07638  0.742803 0.360695  0.980651 0.452484  
1 1 1 39 5  42 o 0.519076 0.260993  -2.13488     1.19031  -1.97307     1.61342  -2.32814     1.76324  0.616762 0.308381  0.623702 0.313843  
1 1 1 39 6  0  o 32.2518  0.359904  1042.14      23.2086  1042.14      23.2086  1042.14      23.2086  32.2669  0.254335  ?        ?         
1 1 1 39 6  1  o 23.3232  0.185684  544.412      8.66149  539.478      12.1297  549.547      12.3723  23.208   0.261327  23.4232  0.264104  
1 1 1 39 6  2  o 10.3265  0.08947   106.658      1.84783  103.271      2.62552  109.981      2.60111  10.1602  0.129206  10.4853  0.124036  
1 1 1 39 6  3  o 7.18195  0.074096  51.5872      1.06431  51.1962      1.50416  51.9793      1.50616  7.15419  0.105125  7.20871  0.104468  
1 1 1 39 6  4  o 13.8075  0.106165  190.7        2.93175  189.726      4.13656  191.684      4.15574  13.7702  0.1502    13.8411  0.150123  
1 1 1 39 6  5  o 20.8651  0.150369  435.603      6.27494  438.034      8.91992  433.221      8.82898  20.9171  0.213221  20.8019  0.212215  
1 1 1 39 6  6  o 14.0171  0.106733  196.537      2.99216  194.248      4.14478  199.029      4.32402  13.9332  0.148738  14.1033  0.153298  
1 1 1 39 6  7  o 14.9313  0.111785  223.022      3.33819  222          4.72126  224.043      4.72056  14.8944  0.158491  14.9629  0.157742  
1 1 1 39 6  8  o 6.15175  0.071935  37.8498      0.885052 37.743       1.30731  37.9402      1.20254  6.14251  0.106415  6.15869  0.0976298 
1 1 1 39 6  9  o 6.21214  0.0811118 38.5986      1.00776  40.0681      1.53793  37.4928      1.33408  6.32848  0.121508  6.122    0.108958  
1 1 1 39 6  10 o 9.08779  0.0863935 82.609       1.57025  82.5437      2.38117  82.6593      2.08879  9.08268  0.131083  9.08966  0.114899  
1 1 1 39 6  11 o 3.31159  0.097093  10.9707      0.643065 11.1218      0.934245 10.8346      0.886494 3.33365  0.140124  3.29043  0.134708  
1 1 1 39 6  12 o 16.9474  0.123195  287.41       4.17567  287.58       5.91077  287.24       5.89982  16.9465  0.174395  16.9365  0.174175  
1 1 1 39 6  13 o 11.851   0.097325  140.513      2.3068   141.746      3.2494   139.261      3.27538  11.9002  0.136528  11.7952  0.138843  
1 1 1 39 6  14 o 7.6634   0.0784723 58.7479      1.20273  56.3489      1.61777  61.7123      1.79836  7.50416  0.107791  7.85286  0.114504  
1 1 1 39 6  15 o 3.83947  0.0976913 14.7503      0.750167 14.0012      0.977667 15.8228      1.16979  3.73981  0.130711  3.97508  0.14714   
1 1 1 39 6  16 o 6.12861  0.0778354 37.576       0.954045 37.565       1.31862  37.5882      1.38207  6.12647  0.107616  6.12811  0.112764  
1 1 1 39 6  17 o 10.2468  0.0902626 105.07       1.84982  105.666      2.58222  104.441      2.65122  10.2725  0.125685  10.2124  0.129804  
1 1 1 39 6  18 o 5.25404  0.0801629 27.6233      0.842359 27.3303      1.17883  27.9289      1.20413  5.22443  0.112819  5.28127  0.114     
1 1 1 39 6  19 o 4.42454  0.0865106 19.5932      0.765539 19.1001      1.07771  20.0954      1.08763  4.36658  0.123404  4.47902  0.121414  
1 1 1 39 6  20 o 2.84478  0.114549  8.10691      0.651735 8.40248      0.925222 7.8158       0.918204 2.89379  0.159863  2.79066  0.164514  
1 1 1 39 6  21 o 3.22844  0.104865  10.4399      0.677099 10.097       0.946746 10.799       0.968758 3.17225  0.149223  3.2808   0.147641  
1 1 1 39 6  22 f 3.65807  0.10128   13.4053      0.740983 13.1556      1.04471  13.6581      1.05114  3.62049  0.144277  3.68916  0.142463  
1 1 1 39 6  23 o 2.98372  0.121298  8.92859      0.723839 8.60941      0.99032  9.2947       1.06062  2.9259   0.169234  3.03958  0.174468  
1 1 1 39 6  24 o 2.87688  0.122986  8.30403      0.707634 7.26924      0.980686 9.42804      1.02209  2.68636  0.18253   3.06118  0.166944  
1 1 1 39 6  25 o 7.34595  0.0880523 54.0719      1.29366  53.9005      1.82491  54.2451      1.83414  7.327    0.124533  7.35032  0.124766  
1 1 1 39 6  26 o 1.57055  0.240985  2.50927      0.756955 2.51018      1.04094  2.50824      1.10272  1.52836  0.348198  1.52441  0.365805  
1 1 1 39 6  27 o 2.51776  0.15628   6.39191      0.786953 5.85355      1.16164  6.84855      1.06986  2.39528  0.242485  2.59807  0.205895  
1 1 1 39 6  28 o 1.98748  0.208624  4.0118       0.829273 3.60243      1.24251  4.34063      1.11359  1.83015  0.352018  2.05625  0.270781  
1 1 1 39 6  29 o 0.619366 0.286578  -0.651828    0.840414 -0.828829    1.15921  -0.455714    1.22019  0.731576 0.33776   0.806953 0.362452  
1 1 1 39 6  30 o 4.80044  0.108527  23.1805      1.04195  22.5741      1.4446   23.8381      1.5043   4.72367  0.152911  4.85336  0.154975  
1 1 1 39 6  31 o 1.03129  0.339513  1.10727      0.811019 0.144016     1.12374  2.15445      1.17167  0.864226 0.368533  1.38488  0.400393  
1 1 1 39 6  32 o 1.35777  0.315433  2.03017      0.840958 2.32295      1.21324  1.75941      1.16671  1.42718  0.405772  1.26111  0.406987  
1 1 1 39 6  33 o 0.808127 0.328891  0.368047     0.836962 -0.415373    1.19839  1.11406      1.16943  0.78689  0.356003  1.07749  0.403033  
1 1 1 39 6  34 o 1.44647  0.317143  2.33776      0.892416 2.09643      1.30326  2.55082      1.22455  1.34089  0.429885  1.47542  0.403498  
1 1 1 39 6  35 o 0.842111 0.340447  0.481194     0.889441 -0.279429    1.26186  1.23223      1.25389  0.815138 0.367229  1.09883  0.415846  
1 1 1 39 6  36 o 1.19253  0.359444  1.69353      0.927884 3.44881      1.28806  -0.199932    1.3378   1.68277  0.390019  0.834153 0.376829  
1 1 1 39 6  37 o 1.75207  0.25191   3.3477       0.882725 3.76782      1.22762  2.89794      1.27019  1.76517  0.360203  1.50065  0.411194  
1 1 1 39 6  38 o 1.01394  0.362748  1.26173      0.934501 0.314923     1.29151  2.30218      1.35387  0.860209 0.380434  1.2741   0.438468  
1 1 1 39 6  39 o 0.634903 0.297904  -0.521074    0.964436 -2.02695     1.36312  0.988338     1.36472  0.617365 0.304482  0.953277 0.406307  
1 1 1 39 6  40 o 0.868138 0.372925  0.832851     1.16557  -0.731305    1.89275  1.78836      1.47935  0.794766 0.384769  1.05084  0.433987  
1 1 1 39 6  41 o 0.7341   0.343756  0.200925     1.26075  -0.837165    1.58238  2.00542      2.08627  0.691212 0.338611  0.953568 0.445156  
1 1 1 39 6  42 o 0.791149 0.358841  0.863728     1.22522  0.94551      1.68382  0.771704     1.78616  0.814415 0.385595  0.802813 0.385363  
1 1 1 39 7  0  o 20.0042  0.20951   400.518      8.38009  400.518      8.38009  400.518      8.38009  20.0086  0.148095  ?        ?         
1 1 1 39 7  1  o 3.2332   0.0987964 10.4561      0.638857 9.85407      0.970518 10.9164      0.848655 3.13818  0.154631  3.30332  0.128455  
1 1 1 39 7  2  o 15.8615  0.124586  251.684      3.95222  249.909      5.48698  253.596      5.69754  15.8025  0.173611  15.9183  0.178962  
1 1 1 39 7  3  o 2.7944   0.102019  7.81075      0.570164 7.63541      0.82629  7.97012      0.787756 2.76243  0.149558  2.82243  0.139553  
1 1 1 39 7  4  o 4.81037  0.0746022 23.143       0.717727 21.3048      1.06047  24.6967      0.974953 4.61491  0.114896  4.96895  0.0981046 
1 1 1 39 7  5  o 8.59243  0.0765121 73.8416      1.31485  73.3634      1.94063  74.2473      1.78772  8.56375  0.113305  8.61543  0.103751  
1 1 1 39 7  6  o 7.17134  0.0831715 51.4381      1.1929   55.2262      1.91065  49.0183      1.52711  7.4297   0.128582  7.00013  0.109077  
1 1 1 39 7  7  o 17.8647  0.127734  319.299      4.56386  316.55       6.41489  322.118      6.49438  17.7833  0.180363  17.939   0.181013  
1 1 1 39 7  8  o 12.1801  0.101172  148.403      2.46458  147.411      3.53292  149.344      3.43984  12.1373  0.14554   12.2169  0.140782  
1 1 1 39 7  9  o 14.3148  0.113577  205.002      3.25164  202.404      4.55415  207.703      4.64421  14.2207  0.160124  14.4056  0.161195  
1 1 1 39 7  10 o 16.2919  0.121608  265.573      3.96243  262.529      5.55491  268.727      5.65385  16.1937  0.171515  16.3836  0.172546  
1 1 1 39 7  11 o 4.80438  0.0848699 23.0893      0.815494 22.3179      1.16554  23.829       1.14141  4.7226   0.1234    4.88003  0.116947  
1 1 1 39 7  12 o 3.53718  0.0955662 12.5171      0.67607  12.2554      0.950249 12.7854      0.962076 3.49922  0.13578   3.57411  0.13459   
1 1 1 39 7  13 o 6.21928  0.0736058 38.6907      0.915549 37.0478      1.29691  40.3228      1.29267  6.08485  0.106569  6.34827  0.101812  
1 1 1 39 7  14 o 12.762   0.107432  162.981      2.7421   160.135      4.0362   165.42       3.73691  12.6449  0.159598  12.8535  0.145365  
1 1 1 39 7  15 o 9.25     0.0884546 85.6071      1.63641  85.6583      2.1872   85.542       2.46632  9.25081  0.118217  9.24333  0.133411  
1 1 1 39 7  16 o 8.49895  0.0794637 72.2671      1.35072  72.3737      1.90692  72.1598      1.91349  8.50312  0.112131  8.49051  0.112684  
1 1 1 39 7  17 o 8.32281  0.0828424 69.3131      1.37896  68.5269      1.89143  70.2051      2.01469  8.27311  0.114312  8.37325  0.120305  
1 1 1 39 7  18 o 3.38326  0.101236  11.4591      0.685015 11.9531      0.967201 10.9619      0.970321 3.4537   0.140024  3.30705  0.146705  
1 1 1 39 7  19 o 2.83975  0.116899  8.07748      0.663926 7.2497       0.923957 8.96119      0.954661 2.68772  0.171885  2.98891  0.1597    
1 1 1 39 7  20 o 3.6643   0.0944341 13.4439      0.69207  12.9502      0.948729 14.0053      1.01178  3.59425  0.131979  3.73758  0.135353  
1 1 1 39 7  21 o 3.70785  0.0943018 13.7674      0.699314 13.7131      0.97875  13.824       0.999535 3.69798  0.132336  3.71273  0.134609  
1 1 1 39 7  22 o 3.3831   0.10965   11.4705      0.741915 12.7495      1.04653  10.1781      1.05194  3.56363  0.146835  3.18238  0.165276  
1 1 1 39 7  23 o 3.05883  0.116978  9.38264      0.71563  9.50519      1.01413  9.26108      1.00999  3.07455  0.164923  3.03466  0.16641   
1 1 1 39 7  24 o 0.902703 0.305687  0.777389     0.657465 0.956133     0.928468 0.597618     0.931129 1.02457  0.362072  0.923452 0.355835  
1 1 1 39 7  25 o 5.35865  0.0942732 28.7855      1.01035  27.4539      1.40712  30.2028      1.45163  5.22672  0.134608  5.48259  0.132386  
1 1 1 39 7  26 o 4.73862  0.101978  22.5266      0.966468 23.6646      1.37632  21.4196      1.35746  4.84952  0.141902  4.61269  0.147144  
1 1 1 39 7  27 o 0.592628 0.272361  -0.528466    0.743379 -1.01098     1.0944   -0.11513     1.01292  0.683194 0.319982  0.787114 0.342989  
1 1 1 39 7  28 o 1.86939  0.231417  3.56493      0.865217 2.72492      1.22167  4.41026      1.22554  1.57614  0.389333  2.06602  0.296594  
1 1 1 39 7  29 o 0.607664 0.280178  -0.58159     0.794203 0.510918     1.14949  -1.57949     1.09859  0.956976 0.386969  0.619559 0.298568  
1 1 1 39 7  30 o 1.57635  0.262185  2.5718       0.826591 2.17027      1.13754  3.021        1.20317  1.39696  0.391544  1.65131  0.373072  
1 1 1 39 7  31 o 0.799349 0.323975  0.345208     0.808306 1.21643      1.13022  -0.566958    1.15647  1.11091  0.398781  0.758181 0.345211  
1 1 1 39 7  32 o 0.766574 0.322115  0.177908     0.837498 -0.0083278   1.19318  0.35876      1.17581  0.854463 0.3723    0.916668 0.383241  
1 1 1 39 7  33 o 1.21326  0.338513  1.65095      0.852168 2.7812       1.21606  0.560361     1.19453  1.5516   0.391605  0.955921 0.391616  
1 1 1 39 7  34 o 1.55716  0.295144  2.67572      0.885826 3.62105      1.26924  1.77797      1.23688  1.77562  0.369619  1.24669  0.419281  
1 1 1 39 7  35 f 1.69004  0.266622  3.06724      0.901204 2.81685      1.28139  3.31231      1.26771  1.52147  0.411279  1.66867  0.387038  
1 1 1 39 7  36 o 2.95081  0.167091  9.00913      0.986106 9.09265      1.38239  8.9226       1.40707  2.91539  0.237084  2.88238  0.244081  
1 1 1 39 7  37 o 2.2906   0.199178  5.56041      0.912474 5.55694      1.24637  5.56443      1.33952  2.23029  0.27942   2.21163  0.302836  
1 1 1 39 7  38 o 0.992092 0.373458  1.18379      1.00725  1.11489      1.41102  1.25538      1.4383   1.01063  0.420999  1.03883  0.428344  
1 1 1 39 7  39 o 1.18731  0.374059  1.96614      0.990108 1.71113      1.36824  2.24647      1.43456  1.07898  0.427448  1.18994  0.446132  
1 1 1 39 7  40 o 0.914598 0.380564  1.10093      1.15096  0.869709     1.72037  1.28828      1.54856  0.916302 0.418269  0.961914 0.421575  
1 1 1 39 7  41 o 0.769645 0.359198  0.478116     1.3572   0.133075     1.90321  0.835125     1.93594  0.785587 0.381885  0.839366 0.402494  
1 1 1 39 7  42 o 0.647545 0.311426  -0.144624    1.18044  -1.49355     1.59687  1.48059      1.7528   0.614714 0.307357  0.830566 0.393323  
1 1 1 39 8  0  o 19.7436  0.197374  390.127      7.79199  390.127      7.79199  390.127      7.79199  19.7476  0.13952   ?        ?         
1 1 1 39 8  1  o 9.32384  0.0823583 86.9495      1.53579  88.1649      2.19461  85.783       2.14995  9.38792  0.116885  9.26025  0.116085  
1 1 1 39 8  2  o 8.86752  0.0812644 78.6467      1.44123  79.1402      2.10594  78.212       1.97661  8.89441  0.118385  8.84227  0.111771  
1 1 1 39 8  3  o 7.74265  0.0748218 59.9577      1.15864  57.9714      1.64775  61.9002      1.62952  7.61268  0.108224  7.86652  0.103573  
1 1 1 39 8  4  o 15.7806  0.116499  249.122      3.67686  249.808      5.35128  248.509      5.06061  15.799   0.169355  15.7585  0.160568  
1 1 1 39 8  5  o 12.3942  0.0980904 153.658      2.4315   153.427      3.63728  153.845      3.26939  12.3827  0.146869  12.4003  0.131827  
1 1 1 39 8  6  o 8.0894   0.0743002 65.4491      1.20209  64.2934      1.66457  66.7087      1.73782  8.01703  0.103814  8.16616  0.106404  
1 1 1 39 8  7  o 8.56486  0.0779626 73.3708      1.33548  72.9945      1.8995   73.7387      1.87799  8.54203  0.111186  8.58551  0.10937   
1 1 1 39 8  8  o 7.75566  0.0768731 60.1622      1.1924   58.5461      1.70719  61.7016      1.66619  7.64994  0.111582  7.85355  0.106079  
1 1 1 39 8  9  f 12.6267  0.0986679 159.49       2.49169  158.043      3.43048  161.107      3.62514  12.5671  0.136487  12.688   0.142857  
1 1 1 39 8  10 f 4.7763   0.0769379 22.8187      0.734957 23.0007      0.981356 22.5863      1.1091   4.79484  0.102335  4.75113  0.11672   
1 1 1 39 8  11 o 10.2458  0.0867978 105.014      1.77863  105.534      2.5539   104.523      2.47851  10.2693  0.124347  10.2201  0.121256  
1 1 1 39 8  12 o 1.94172  0.154557  3.77493      0.600214 2.76295      0.869481 4.69616      0.829585 1.65929  0.262004  2.16502  0.191588  
1 1 1 39 8  13 o 1.91029  0.152536  3.65406      0.582778 3.43524      0.834661 3.86222      0.814069 1.85076  0.225491  1.96285  0.207369  
1 1 1 39 8  14 o 3.98749  0.0886309 15.908       0.706829 16.0995      1.02079  15.7315      0.979691 4.01034  0.12727   3.96436  0.123562  
1 1 1 39 8  15 o 7.95343  0.0800609 63.2862      1.27352  63.7097      1.75476  62.815       1.85115  7.97833  0.109971  7.92166  0.116841  
1 1 1 39 8  16 o 6.92199  0.0824382 47.9412      1.14127  48.4509      1.59075  47.4006      1.6383   6.95683  0.11433   6.88069  0.119051  
1 1 1 39 8  17 o 5.02842  0.0828504 25.3028      0.833213 25.3713      1.15852  25.2294      1.19921  5.0336   0.115079  5.01925  0.119462  
1 1 1 39 8  18 o 10.8773  0.0917175 118.427      1.99527  117.066      2.73613  119.972      2.91592  10.81    0.126556  10.9422  0.133241  
1 1 1 39 8  19 o 1.75563  0.178725  3.09497      0.627549 2.67383      0.850001 3.59956      0.930418 1.62802  0.261054  1.88985  0.246162  
1 1 1 39 8  20 f 5.58271  0.0784845 31.1946      0.876312 30.5619      1.23185  31.843       1.24687  5.52323  0.111516  5.63789  0.110579  
1 1 1 39 8  21 o 3.50842  0.0992866 12.3293      0.696679 12.3574      0.962068 12.2983      1.0102   3.50977  0.137056  3.50077  0.144282  
1 1 1 39 8  22 o 5.41572  0.0827931 29.3686      0.896769 30.142       1.24098  28.5235      1.29734  5.48344  0.113157  5.33318  0.12163   
1 1 1 39 8  23 o 2.30471  0.146375  5.33573      0.674701 5.79686      0.938188 4.84179      0.971    2.39806  0.195614  2.18914  0.221776  
1 1 1 39 8  24 o 5.99425  0.0899336 36.0023      1.07817  37.5441      1.57057  34.6281      1.48274  6.11499  0.128419  5.87312  0.126231  
1 1 1 39 8  25 o 5.61755  0.0911396 31.6318      1.02396  31.5737      1.40039  31.6986      1.50104  5.60665  0.124887  5.61593  0.133641  
1 1 1 39 8  26 o 2.92205  0.132001  8.58608      0.771428 7.8909       1.09588  9.26893      1.08612  2.79166  0.196277  3.02872  0.179303  
1 1 1 39 8  27 o 3.09567  0.137324  9.64817      0.850218 11.6546      1.29215  8.11621      1.12907  3.39167  0.190488  2.82856  0.199583  
1 1 1 39 8  28 o 3.14681  0.145313  9.98491      0.914544 9.34149      1.25921  10.7032      1.33045  3.03071  0.207742  3.2448   0.205012  
1 1 1 39 8  29 o 2.58831  0.15709   6.77568      0.813194 6.90711      1.18228  6.65767      1.12029  2.59729  0.227598  2.55205  0.219488  
1 1 1 39 8  30 o 2.40629  0.180143  5.89052      0.866954 5.90053      1.21839  5.88026      1.23388  2.38786  0.255121  2.38255  0.258941  
1 1 1 39 8  31 o 1.32708  0.312165  1.93239      0.8156   2.83809      1.14363  0.994985     1.16349  1.5934   0.366309  1.05876  0.400606  
1 1 1 39 8  32 o 1.22663  0.332628  1.67487      0.836527 1.96413      1.18147  1.38408      1.1846   1.31613  0.407414  1.1537   0.408846  
1 1 1 39 8  33 o 0.681179 0.302819  -0.202847    0.832386 -0.963328    1.1783   0.554725     1.17605  0.706118 0.330952  0.94936  0.388692  
1 1 1 39 8  34 o 3.9204   0.128115  15.5913      1.00452  15.2571      1.43155  15.9155      1.40992  3.84796  0.186015  3.9343   0.179183  
1 1 1 39 8  35 o 0.817094 0.338184  0.386043     0.901362 -1.25937     1.25332  2.14884      1.29725  0.686737 0.327987  1.3218   0.429392  
1 1 1 39 8  36 o 1.66677  0.271337  3.03871      0.904513 3.24049      1.27996  2.83742      1.27838  1.61609  0.398091  1.4988   0.413326  
1 1 1 39 8  37 o 1.77329  0.262692  3.48713      0.931661 3.02249      1.26842  4.03147      1.37291  1.5186   0.408604  1.77685  0.396504  
1 1 1 39 8  38 o 1.8439   0.268094  3.86639      0.988674 3.97103      1.40521  3.76381      1.39129  1.70726  0.414999  1.65439  0.419665  
1 1 1 39 8  39 o 0.565477 0.274887  -1.1407      0.986131 -1.29449     1.4073   -0.992348    1.38224  0.673059 0.327561  0.691738 0.333732  
1 1 1 39 8  40 o 1.19048  0.400983  2.25064      1.13128  2.24814      1.59719  2.25315      1.60255  1.10674  0.453025  1.10707  0.453577  
1 1 1 39 8  41 o 0.86119  0.379144  1.25136      1.26419  2.51996      1.80501  0.0299134    1.77115  0.995792 0.444207  0.757098 0.368149  
1 1 1 39 8  42 f 0.678824 0.323245  0.349528     1.19848  1.1891       1.62203  -0.659954    1.7786   0.768183 0.368375  0.654714 0.327079  
1 1 1 39 9  0  o 11.2577  0.125068  126.81       2.81517  126.81       2.81517  126.81       2.81517  11.2593  0.088411  ?        ?         
1 1 1 39 9  1  o 10.2189  0.0818004 104.445      1.67182  104.396      2.40275  104.491      2.32765  10.2155  0.117604  10.2202  0.113875  
1 1 1 39 9  2  o 16.1079  0.11863   259.568      3.82176  259.489      5.41453  259.646      5.39508  16.1022  0.16813   16.1071  0.167475  
1 1 1 39 9  3  o 5.12074  0.0827413 26.2271      0.847393 24.2868      1.27051  27.7819      1.13731  4.92698  0.128934  5.26997  0.107905  
1 1 1 39 9  4  o 9.18622  0.0820243 84.4034      1.50699  86.497       2.18339  82.4986      2.08258  9.29848  0.117406  9.0811   0.114666  
1 1 1 39 9  5  o 13.9517  0.105991  194.716      2.95752  192.069      4.18736  197.351      4.17778  13.854   0.151124  14.0434  0.148745  
1 1 1 39 9  6  o 5.49422  0.0722003 30.1914      0.793368 29.875       1.12533  30.504       1.11868  5.46489  0.102961  5.52214  0.10129   
1 1 1 39 9  7  o 9.51793  0.081278  90.6113      1.5472   89.4059      2.15667  91.8895      2.22087  9.45337  0.114069  9.58371  0.115867  
1 1 1 39 9  8  o 4.84132  0.0764228 23.4434      0.739973 22.0398      1.03134  24.9326      1.06231  4.6936   0.109866  4.9922   0.106397  
1 1 1 39 9  9  o 3.03152  0.0954383 9.19358      0.578646 8.32954      0.806674 10.1094      0.830504 2.88491  0.139809  3.17839  0.130648  
1 1 1 39 9  10 o 10.5357  0.0873961 111.04       1.84156  109.005      2.63449  112.985      2.57525  10.4367  0.126213  10.6258  0.121178  
1 1 1 39 9  11 o 7.55019  0.078569  57.0231      1.18642  57.7877      1.65447  56.2136      1.70225  7.59956  0.108853  7.49514  0.113557  
1 1 1 39 9  12 f 6.99516  0.0800396 48.9496      1.11978  49.542       1.70347  48.4989      1.48594  7.03576  0.121058  6.96193  0.106719  
1 1 1 39 9  13 o 7.13908  0.0746681 50.9837      1.06612  51.251       1.57254  50.7564      1.45032  7.15633  0.10987   7.12209  0.101818  
1 1 1 39 9  14 o 10.9415  0.0895376 119.782      1.95936  115.503      2.66136  124.847      2.8953   10.7416  0.123881  11.167   0.129636  
1 1 1 39 9  15 o 2.20262  0.14624   4.85959      0.644222 5.37687      0.872253 4.23876      0.955574 2.31558  0.188344  2.05446  0.232561  
1 1 1 39 9  16 o 5.63413  0.0772649 31.7611      0.870641 30.8703      1.19181  32.7804      1.27493  5.55314  0.10731   5.72212  0.111404  
1 1 1 39 9  17 o 9.39413  0.0856725 88.3193      1.60964  89.6048      2.33416  87.1536      2.22268  9.45829  0.123392  9.32854  0.119133  
1 1 1 39 9  18 o 7.9982   0.0826342 64.0233      1.32185  62.8578      1.76533  65.5106      1.9943   7.92241  0.111414  8.08651  0.12331   
1 1 1 39 9  19 o 4.55672  0.0854035 20.7846      0.778319 20.4656      1.04357  21.1844      1.1684   4.51973  0.115446  4.59753  0.127068  
1 1 1 39 9  20 o 2.15906  0.145133  4.67659      0.626701 3.97468      0.87286  5.42341      0.900357 1.98624  0.219726  2.32207  0.19387   
1 1 1 39 9  21 o 7.1008   0.0808264 50.4798      1.14786  49.0924      1.56418  52.0988      1.68973  6.99882  0.111746  7.20913  0.117194  
1 1 1 39 9  22 o 1.45698  0.216418  2.14272      0.630634 1.24661      0.867206 3.14846      0.918723 1.10836  0.3502    1.76247  0.260634  
1 1 1 39 9  23 o 5.53967  0.0851743 30.7375      0.943676 31.0142      1.33387  30.4602      1.33525  5.56019  0.119948  5.51013  0.121163  
1 1 1 39 9  24 o 4.19205  0.10171   17.6208      0.85275  18.9337      1.22075  16.3696      1.19172  4.34015  0.140635  4.03452  0.14769   
1 1 1 39 9  25 o 4.92641  0.0997731 24.3412      0.983046 25.7634      1.41439  23.0123      1.36728  5.0612   0.139729  4.7827   0.14294   
1 1 1 39 9  26 f 2.21742  0.172936  4.96662      0.766947 4.05206      1.09069  5.86114      1.07867  1.9876   0.274373  2.40038  0.224686  
1 1 1 39 9  27 o 2.09422  0.193399  4.44438      0.81004  4.31379      1.19103  4.55677      1.10495  2.0459   0.291077  2.10868  0.262     
1 1 1 39 9  28 o 3.73606  0.130658  14.0532      0.976292 13.0407      1.3161   15.2922      1.45582  3.58703  0.183452  3.88322  0.18745   
1 1 1 39 9  29 o 1.4152   0.281128  2.1466       0.767434 3.49043      1.11639  0.942616     1.0567   1.79885  0.321943  1.03159  0.38366   
1 1 1 39 9  30 o 2.08003  0.20846   4.43269      0.867208 4.66641      1.22691  4.19935      1.22592  2.11019  0.290712  1.99654  0.30701   
1 1 1 39 9  31 o 1.04402  0.336796  1.15534      0.799039 1.56381      1.13115  0.74851      1.12888  1.20378  0.40096   0.990077 0.389514  
1 1 1 39 9  32 o 1.13808  0.346668  1.43315      0.860065 0.805928     1.18647  2.12772      1.24854  1.00898  0.398572  1.3596   0.418405  
1 1 1 39 9  33 o 1.288    0.329227  1.86264      0.851395 1.44382      1.20664  2.27788      1.20148  1.16431  0.412631  1.4004   0.405641  
1 1 1 39 9  34 o 2.69883  0.17387   7.4804       0.93849  9.12973      1.35294  5.95078      1.30292  2.95291  0.229087  2.36018  0.276021  
1 1 1 39 9  35 o 0.621231 0.291127  -0.70572     0.910651 -2.00134     1.28286  0.610274     1.29291  0.627985 0.306992  0.957884 0.401257  
1 1 1 39 9  36 o 1.72706  0.253396  3.23691      0.87526  2.43831      1.23123  4.05278      1.24448  1.38382  0.413439  1.85024  0.349065  
1 1 1 39 9  37 o 2.96406  0.171225  9.21615      1.01504  9.96701      1.42559  8.44409      1.44559  3.0185   0.236143  2.75032  0.262804  
1 1 1 39 9  38 o 1.3537   0.343982  2.32946      0.933518 2.51238      1.34181  2.15787      1.29959  1.31459  0.436704  1.22814  0.428916  
1 1 1 39 9  39 f 1.11923  0.380058  1.83228      1.01629  1.03814      1.48459  2.53263      1.39416  0.938275 0.411984  1.23186  0.442835  
1 1 1 39 9  40 o 0.761899 0.348855  0.299459     1.20705  -0.0345397   1.80797  0.568043     1.62129  0.805991 0.387088  0.842796 0.393049  
1 1 1 39 9  41 o 0.601191 0.29614   -1.07598     1.24075  1.37401      1.86795  -3.01041     1.65981  0.875371 0.411607  0.578718 0.29258   
1 1 1 39 10 0  o 1.65944  0.249883  2.93544      0.77277  2.93544      0.77277  2.93544      0.77277  1.68911  0.165391  ?        ?         
1 1 1 39 10 1  o 17.3258  0.131391  300.337      4.5529   298.949      6.51397  301.663      6.36613  17.281   0.188472  17.3597  0.183359  
1 1 1 39 10 2  o 6.30615  0.0726304 39.7739      0.916036 39.9595      1.36379  39.6213      1.23649  6.32024  0.107891  6.29362  0.0982332 
1 1 1 39 10 3  o 6.32883  0.0697059 40.0601      0.882314 41.4326      1.31295  38.9299      1.19144  6.43578  0.102004  6.2385   0.0954911 
1 1 1 39 10 4  o 10.909   0.0868002 119.035      1.89381  118.478      2.73851  119.546      2.62181  10.882   0.125827  10.9312  0.119923  
1 1 1 39 10 5  o 16.0822  0.120161  258.758      3.86488  256.814      5.6481   260.47       5.30002  16.0172  0.176313  16.1319  0.164271  
1 1 1 39 10 6  o 4.16219  0.0831896 17.328       0.692502 17.7096      1.0011   16.9779      0.958955 4.20723  0.118973  4.11945  0.116394  
1 1 1 39 10 7  o 14.2363  0.108653  202.764      3.09363  200.597      4.39687  204.888      4.35357  14.1567  0.155293  14.3076  0.152142  
1 1 1 39 10 8  o 7.52846  0.0740203 56.6907      1.11452  53.2698      1.59196  59.9791      1.56083  7.29678  0.109086  7.74296  0.100791  
1 1 1 39 10 9  f 10.1808  0.082699  103.681      1.68388  103.695      2.42661  103.668      2.33856  10.1797  0.119189  10.1786  0.114876  
1 1 1 39 10 10 o 8.53795  0.0843939 72.9223      1.4411   71.9485      2.05208  73.8699      2.02426  8.47916  0.121007  8.5918   0.117802  
1 1 1 39 10 11 o 8.64961  0.0796069 74.8415      1.37714  74.803       1.96727  74.8784      1.92844  8.64585  0.11377   8.65033  0.111466  
1 1 1 39 10 12 o 10.078   0.0847589 101.609      1.7084   101.167      2.43233  102.04       2.40008  10.0538  0.120966  10.0972  0.118848  
1 1 1 39 10 13 o 2.92447  0.111239  8.55943      0.650628 9.06893      0.923798 8.05796      0.9165   3.00911  0.1535    2.8362   0.161572  
1 1 1 39 10 14 o 5.25874  0.0753648 27.666       0.792648 27.374       1.1164   27.9627      1.12561  5.2298   0.106734  5.28574  0.106476  
1 1 1 39 10 15 o 9.65387  0.0855475 93.2558      1.65173  93.7829      2.29357  92.6878      2.38065  9.6783   0.118491  9.6211   0.12372   
1 1 1 39 10 16 o 2.36213  0.130535  5.58949      0.616683 5.97777      0.866192 5.19039      0.878173 2.44102  0.177424  2.27391  0.193098  
1 1 1 39 10 17 o 5.93972  0.0783353 35.3046      0.930579 35.8615      1.3385   34.7836      1.29467  5.98423  0.111836  5.89376  0.109834  
1 1 1 39 10 18 o 9.06949  0.0915786 82.3441      1.66114  81.452       2.37944  83.1923      2.3201   9.01499  0.131971  9.11149  0.127317  
1 1 1 39 10 19 o 4.48967  0.0818007 20.1766      0.734515 21.2125      1.02087  19.0647      1.05762  4.60159  0.110926  4.36166  0.121241  
1 1 1 39 10 20 o 8.59574  0.0863177 73.9766      1.48393  72.3998      2.0668   75.6543      2.1319   8.49846  0.121598  8.68718  0.122704  
1 1 1 39 10 21 o 2.88411  0.116408  8.33918      0.671465 8.48602      0.910792 8.16435      0.99382  2.9064   0.156688  2.84922  0.174402  
1 1 1 39 10 22 o 6.77137  0.0794548 45.9115      1.07604  45.8257      1.48541  46.0062      1.56089  6.76107  0.10985   6.77353  0.11522   
1 1 1 39 10 23 o 2.67891  0.131824  7.20593      0.706292 8.68719      0.992592 5.68674      1.00522  2.93756  0.168948  2.3722   0.211875  
1 1 1 39 10 24 o 1.6879   0.210054  2.88387      0.709098 2.6506       0.95891  3.16536      1.05336  1.58093  0.314438  1.73017  0.316157  
1 1 1 39 10 25 o 5.11893  0.0935327 26.2743      0.957575 25.3358      1.3537   27.2143      1.35473  5.01933  0.134849  5.20306  0.130186  
1 1 1 39 10 26 o 1.90625  0.197545  3.68453      0.753141 3.35209      1.11177  3.96647      1.02386  1.77196  0.32591   1.96779  0.260154  
1 1 1 39 10 27 o 2.32679  0.17116   5.473        0.796508 5.94205      1.12606  5.00333      1.1268   2.41316  0.233317  2.21008  0.254924  
1 1 1 39 10 28 o 4.35789  0.115478  19.0939      1.00648  17.3696      1.3421   21.31        1.52147  4.14544  0.161876  4.59048  0.165721  
1 1 1 39 10 29 o 1.88126  0.206755  3.61565      0.77792  3.50502      1.10802  3.72319      1.09243  1.83029  0.302691  1.89009  0.288989  
1 1 1 39 10 30 o 4.213    0.12164   17.9014      1.02493  19.3567      1.49293  16.6041      1.40961  4.36271  0.171102  4.03927  0.174488  
1 1 1 39 10 31 o 1.62173  0.251622  2.73687      0.816124 3.16898      1.1363   2.27648      1.17291  1.68919  0.348247  1.41431  0.397967  
1 1 1 39 10 32 o 0.89774  0.339549  0.700406     0.83559  0.934635     1.16946  0.456103     1.19434  1.03297  0.398627  0.935432 0.388352  
1 1 1 39 10 33 o 3.47687  0.139923  12.2817      0.972985 11.1218      1.37028  13.4612      1.38181  3.27707  0.209071  3.61554  0.191093  
1 1 1 39 10 34 o 1.20392  0.342224  1.66541      0.863072 1.05657      1.20838  2.29945      1.23313  1.05065  0.405258  1.38395  0.413814  
1 1 1 39 10 35 o 3.01611  0.160761  9.38194      0.969745 10.2374      1.37139  8.52637      1.37146  3.10972  0.2205    2.82121  0.243063  
1 1 1 39 10 36 o 0.560408 0.268403  -0.953747    0.854377 -0.379625    1.18535  -1.57452     1.23257  0.755178 0.345748  0.638529 0.309431  
1 1 1 39 10 37 o 1.13474  0.365044  1.64605      0.93917  2.50041      1.32536  0.784375     1.33103  1.3334   0.434019  0.946317 0.402237  
1 1 1 39 10 38 o 0.508985 0.25067   -1.56226     0.913281 -1.42462     1.29145  -1.69995     1.2917   0.645832 0.314146  0.624083 0.305775  
1 1 1 39 10 39 o 0.642872 0.3024    -0.44353     1.01012  1.90508      1.53928  -2.21991     1.33869  1.07189  0.442686  0.583671 0.290475  
1 1 1 39 10 40 o 1.06853  0.408638  2.1115       1.22131  1.76951      1.83795  2.38191      1.63432  0.952644 0.434139  1.05106  0.446203  
1 1 1 39 10 41 o 0.711181 0.333146  0.197714     1.18813  2.01124      1.79648  -1.21225     1.58403  0.940399 0.428735  0.654034 0.323924  
1 1 1 39 11 0  o 14.8466  0.169179  220.606      5.02197  220.606      5.02197  220.606      5.02197  14.8497  0.119585  ?        ?         
1 1 1 39 11 1  o 9.16107  0.0792794 83.942       1.45257  84.81        2.05218  83.0706      2.05632  9.20741  0.111442  9.11245  0.11283   
1 1 1 39 11 2  o 31.2136  0.219514  975.81       13.7036  959.916      18.8602  993.585      19.945   30.936   0.304826  31.47    0.316889  
1 1 1 39 11 3  o 8.94031  0.0816244 79.9468      1.45949  79.8658      2.09353  80.0234      2.03576  8.93472  0.117157  8.94365  0.11381   
1 1 1 39 11 4  o 9.06124  0.080824  82.1246      1.46473  83.0635      2.11512  81.2595      2.03037  9.11178  0.116065  9.01241  0.112643  
1 1 1 39 11 5  o 5.85926  0.0729652 34.3377      0.855044 33.5164      1.23365  35.0969      1.18618  5.78813  0.106567  5.92317  0.10013   
1 1 1 39 11 6  o 14.728   0.109172  217.016      3.21578  212.764      4.43657  221.724      4.66785  14.5797  0.152148  14.8831  0.156816  
1 1 1 39 11 7  o 13.3392  0.0988044 178.008      2.63594  174.646      3.7314   181.358      3.72417  13.2097  0.141238  13.4613  0.138329  
1 1 1 39 11 8  o 7.92959  0.075017  62.8947      1.18971  61.1233      1.73447  64.4685      1.63494  7.81591  0.110958  8.0273   0.101836  
1 1 1 39 11 9  o 6.83355  0.0747442 46.7103      1.02154  45.1173      1.42478  48.3955      1.46542  6.71507  0.106088  6.95478  0.105354  
1 1 1 39 11 10 o 7.41549  0.0753696 55.0063      1.11781  55.4799      1.64011  54.5955      1.52752  7.44607  0.110132  7.38677  0.103396  
1 1 1 39 11 11 o 7.71185  0.0746998 59.4919      1.15215  59.6043      1.66806  59.3894      1.59327  7.71776  0.108067  7.70405  0.103405  
1 1 1 39 11 12 o 7.23475  0.0769382 52.3614      1.11326  52.6079      1.57398  52.1145      1.57478  7.25038  0.108545  7.21627  0.109113  
1 1 1 39 11 13 o 6.42857  0.0789671 41.3449      1.01529  41.7444      1.46682  40.9774      1.40674  6.458    0.113566  6.39858  0.109926  
1 1 1 39 11 14 o 7.36651  0.0818164 54.2948      1.2054   55.09        1.7203   53.5277      1.68951  7.4182   0.115952  7.31228  0.115525  
1 1 1 39 11 15 o 7.17979  0.0764382 51.5784      1.09762  53.182       1.57975  50.0817      1.52618  7.2885   0.108372  7.0729   0.107889  
1 1 1 39 11 16 o 2.98371  0.106961  8.91355      0.63828  9.1007       0.880577 8.70638      0.926502 3.01327  0.146117  2.94673  0.157209  
1 1 1 39 11 17 o 4.85563  0.0821727 23.5963      0.798001 23.3652      1.09636  23.8566      1.16374  4.83002  0.113494  4.88015  0.119232  
1 1 1 39 11 18 o 4.27285  0.0868203 18.2762      0.741941 17.5074      1.05701  19.023       1.04169  4.17958  0.126449  4.35724  0.119535  
1 1 1 39 11 19 o 4.74484  0.085057  22.5382      0.807164 22.8437      1.08944  22.1665      1.20182  4.77473  0.114083  4.70224  0.127793  
1 1 1 39 11 20 o 4.25885  0.0888339 18.1628      0.75666  18.7617      1.03088  17.4633      1.11412  4.32608  0.119147  4.17238  0.133511  
1 1 1 39 11 21 o 4.77743  0.0845236 22.8561      0.807612 22.6843      1.12889  23.0363      1.15586  4.7562   0.118676  4.79274  0.120584  
1 1 1 39 11 22 o 2.83159  0.121521  8.04356      0.688199 8.54967      0.94532  7.47285      1.00383  2.91576  0.162106  2.72372  0.184276  
1 1 1 39 11 23 o 8.18279  0.0870987 67.0856      1.42542  67.9246      2.00165  66.2224      2.03035  8.22641  0.12166   8.12185  0.124993  
1 1 1 39 11 24 o 0.904604 0.315247  0.760387     0.701725 1.2442       0.960987 0.207734     1.02709  1.11558  0.369573  0.860722 0.358909  
1 1 1 39 11 25 o 1.00228  0.310416  1.03726      0.685746 0.12852      0.936898 2.08584      1.00641  0.807942 0.340152  1.3892   0.359539  
1 1 1 39 11 26 o 2.76348  0.142492  7.69257      0.787545 8.3522       1.1442   7.09876      1.08562  2.86943  0.199378  2.64424  0.20528   
1 1 1 39 11 27 o 2.61391  0.153846  6.89604      0.80428  8.17734      1.13256  5.59249      1.14235  2.8375   0.19957   2.33759  0.244343  
1 1 1 39 11 28 o 1.13143  0.334693  1.37055      0.80965  2.00612      1.09777  0.612408     1.19895  1.35166  0.386515  0.990977 0.397478  
1 1 1 39 11 29 o 1.85682  0.222904  3.53762      0.827784 4.00897      1.19108  3.09725      1.15126  1.95512  0.304606  1.67755  0.354136  
1 1 1 39 11 30 o 1.13611  0.341899  1.40432      0.839957 0.285017     1.21579  2.42644      1.16181  0.918852 0.387196  1.46622  0.389498  
1 1 1 39 11 31 o 2.4539   0.178911  6.15074      0.878062 6.50657      1.21787  5.76555      1.26713  2.50157  0.243421  2.34442  0.270243  
1 1 1 39 11 32 o 1.23847  0.335062  1.72159      0.85003  2.24318      1.17227  1.14326      1.23438  1.39268  0.399797  1.0943   0.413049  
1 1 1 39 11 33 o 0.986826 0.351451  0.994523     0.876316 1.76473      1.24339  0.234366     1.23525  1.24285  0.420382  0.895993 0.384366  
1 1 1 39 11 34 o 0.72449  0.318265  -0.0395651   0.88683  0.136716     1.25504  -0.215358    1.2533   0.873731 0.38125   0.817729 0.367314  
1 1 1 39 11 35 o 2.38044  0.192767  5.92767      0.917737 5.29676      1.30465  6.54566      1.29121  2.18383  0.298707  2.45536  0.262936  
1 1 1 39 11 36 o 0.645092 0.29596   -0.377603    0.873576 0.107302     1.19901  -0.926233    1.27537  0.82659  0.365935  0.712555 0.336526  
1 1 1 39 11 37 o 1.72625  0.283881  3.42468      0.980101 3.49649      1.40948  3.35745      1.3638   1.58134  0.433085  1.55636  0.425906  
1 1 1 39 11 38 o 0.59722  0.285231  -0.765005    0.947812 -0.456409    1.35958  -1.05679     1.32203  0.7477   0.351453  0.679247 0.32738   
1 1 1 39 11 39 o 1.08683  0.382536  1.77343      1.03545  0.238892     1.52418  3.08864      1.41106  0.827912 0.384166  1.34767  0.44783   
1 1 1 39 11 40 o 1.65361  0.371471  4.20192      1.19844  3.76089      1.84721  4.5225       1.57488  1.20548  0.489276  1.49256  0.471966  
1 1 1 39 11 41 o 1.00778  0.397306  2.04611      1.17677  1.96007      1.74456  2.11795      1.59402  0.912551 0.418488  0.946112 0.419995  
1 1 1 39 12 0  o 12.4203  0.142124  154.38       3.52941  154.38       3.52941  154.38       3.52941  12.4226  0.100463  ?        ?         
1 1 1 39 12 1  o 8.14897  0.0762673 66.4195      1.243    63.5594      1.72608  69.5004      1.79148  7.97074  0.108276  8.33497  0.107468  
1 1 1 39 12 2  o 12.9444  0.100515  167.619      2.60223  168.89       3.64555  166.3        3.71566  12.9911  0.140309  12.8909  0.14412   
1 1 1 39 12 3  o 13.8034  0.107077  190.615      2.95604  189.149      4.06361  192.263      4.30804  13.7475  0.147794  13.8596  0.155417  
1 1 1 39 12 4  o 8.18392  0.0762008 66.9918      1.24724  64.8511      1.68304  69.5994      1.85759  8.05129  0.10452   8.34059  0.111358  
1 1 1 39 12 5  o 4.51433  0.0721949 20.3835      0.651823 19.4619      0.928176 21.2804      0.915586 4.41054  0.105223  4.61212  0.0992588 
1 1 1 39 12 6  o 7.35177  0.070956  54.0606      1.0433   53.7057      1.45285  54.4385      1.49915  7.3268   0.0991464 7.37654  0.101616  
1 1 1 39 12 7  o 9.32973  0.0776961 87.0684      1.44977  84.6361      2.03876  89.5565      2.062    9.19713  0.110837  9.46079  0.108976  
1 1 1 39 12 8  o 13.8188  0.105372  191.066      2.91225  192.375      4.25518  189.913      3.99429  13.8618  0.153486  13.7737  0.144997  
1 1 1 39 12 9  o 4.05699  0.0825904 16.4652      0.670137 16.4139      0.924861 16.5219      0.972356 4.05     0.11418   4.06316  0.119655  
1 1 1 39 12 10 o 2.69896  0.102558  7.28883      0.553598 7.75265      0.804105 6.87088      0.7633   2.78268  0.144484  2.61963  0.145689  
1 1 1 39 12 11 o 3.83992  0.0805752 14.751       0.618804 14.3944      0.878872 15.1015      0.871418 3.79238  0.115874  3.88452  0.112165  
1 1 1 39 12 12 o 6.65949  0.0765798 44.3668      1.01997  45.7162      1.47519  43.131       1.41179  6.75856  0.109135  6.56476  0.107528  
1 1 1 39 12 13 o 6.4346   0.0746988 41.422       0.961313 42.1877      1.36262  40.6633      1.35641  6.4924   0.10494   6.37395  0.106402  
1 1 1 39 12 14 o 1.75269  0.178166  3.08074      0.62454  2.53142      0.844664 3.74325      0.927617 1.5618   0.280615  1.92971  0.240351  
1 1 1 39 12 15 o 5.41416  0.0782324 29.3319      0.847125 30.4423      1.23139  28.3343      1.16721  5.51387  0.111663  5.31966  0.109707  
1 1 1 39 12 16 o 5.37138  0.0791291 28.8722      0.850064 27.9257      1.18671  29.8697      1.21826  5.28067  0.112363  5.46144  0.111533  
1 1 1 39 12 17 o 4.51262  0.0854612 20.3831      0.771308 21.8024      1.08638  18.9404      1.09527  4.6652   0.116434  4.34758  0.125963  
1 1 1 39 12 18 o 5.57993  0.0814069 31.1654      0.908489 31.5566      1.29433  30.7856      1.27547  5.61209  0.115316  5.54314  0.11505   
1 1 1 39 12 19 o 2.61795  0.120417  6.86981      0.630493 6.72819      0.847098 7.04571      0.944064 2.5882   0.163646  2.64749  0.178294  
1 1 1 39 12 20 o 3.6702   0.0948475 13.4928      0.696218 14.0629      0.953913 12.8429      1.01846  3.74442  0.127378  3.57698  0.142363  
1 1 1 39 12 21 o 4.08874  0.0905532 16.7459      0.740496 16.1007      1.02561  17.4484      1.07025  4.00588  0.128014  4.17013  0.128324  
1 1 1 39 12 22 o 1.38559  0.228611  1.94291      0.633522 1.54194      0.877575 2.37928      0.915498 1.20962  0.345485  1.49824  0.315442  
1 1 1 39 12 23 o 0.697048 0.290715  0.116466     0.674066 1.21032      0.910888 -1.20765     1.00219  1.09853  0.359811  0.62303  0.296161  
1 1 1 39 12 24 o 4.57576  0.0932588 20.9925      0.85346  20.3121      1.17633  21.7487      1.24014  4.49535  0.130839  4.65114  0.133316  
1 1 1 39 12 25 o 3.10362  0.131062  9.68911      0.813533 8.9847       1.15654  10.379       1.14457  2.9781   0.194174  3.20402  0.178615  
1 1 1 39 12 26 o 3.0889   0.131543  9.60026      0.812644 9.85505      1.13559  9.33282      1.16342  3.12068  0.181946  3.03491  0.191673  
1 1 1 39 12 27 o 2.01122  0.197086  4.10774      0.792765 3.96133      1.07813  4.28009      1.16974  1.96076  0.274927  2.03535  0.287356  
1 1 1 39 12 28 o 2.24304  0.180122  5.11249      0.808042 5.82807      1.09323  4.25079      1.19966  2.38336  0.229346  2.01816  0.297216  
1 1 1 39 12 29 o 2.73641  0.15713   7.59111      0.859945 7.74703      1.19399  7.42305      1.23959  2.74723  0.217307  2.68473  0.230859  
1 1 1 39 12 30 o 2.46401  0.172984  6.18259      0.852468 6.5004       1.21497  5.87444      1.19639  2.50452  0.242555  2.37773  0.251582  
1 1 1 39 12 31 o 0.733101 0.317817  -0.00889754  0.861244 0.732806     1.24428  -0.69105     1.19328  1.00768  0.404613  0.74869  0.3445    
1 1 1 39 12 32 o 2.27424  0.193068  5.31974      0.878165 7.22986      1.24     3.39779      1.24383  2.63349  0.235429  1.72743  0.370713  
1 1 1 39 12 33 o 0.905354 0.346614  0.715679     0.879493 0.885905     1.24615  0.546737     1.24144  1.02661  0.407543  0.95558  0.396278  
1 1 1 39 12 34 o 1.75771  0.254737  3.31316      0.895504 4.43425      1.26488  2.18653      1.268    1.99654  0.316767  1.33153  0.423742  
1 1 1 39 12 35 o 0.815695 0.334015  0.455345     0.868573 1.5173       1.24128  -0.563496    1.21582  1.13723  0.416951  0.745928 0.344967  
1 1 1 39 12 36 o 1.06948  0.359719  1.39158      0.910426 2.78253      1.31504  0.111197     1.26169  1.43961  0.426704  0.836859 0.372399  
1 1 1 39 12 37 o 0.964688 0.358361  1.11024      0.921405 2.24198      1.28294  -0.0954143   1.32417  1.25965  0.427016  0.804575 0.367154  
1 1 1 39 12 38 o 0.724728 0.325761  0.102402     0.987376 1.62267      1.48589  -1.09969     1.32128  1.04909  0.434205  0.668628 0.323315  
1 1 1 39 12 39 o 1.02668  0.379109  1.57865      1.02809  1.345        1.47525  1.79926      1.43353  0.963648 0.416834  1.04304  0.428442  
1 1 1 39 12 40 o 1.13404  0.41183   2.49369      1.20847  2.91041      1.7186   2.08613      1.69961  1.07527  0.457056  0.96141  0.429897  
1 1 1 39 12 41 o 0.916911 0.378662  1.78428      1.12615  -0.0581146   1.59773  3.60328      1.58756  0.690647 0.338921  1.11477  0.453208  
1 1 1 39 13 0  o 21.7821  0.22214   475.073      9.67508  475.073      9.67508  475.073      9.67508  21.7891  0.157008  ?        ?         
1 1 1 39 13 1  o 6.56763  0.0699986 43.1423      0.91945  41.856       1.24962  44.6607      1.35769  6.4684   0.0965945 6.68146  0.101601  
1 1 1 39 13 2  f 16.3414  0.116669  267.192      3.81309  264.313      5.28362  270.32       5.50844  16.2488  0.162585  16.4319  0.167615  
1 1 1 39 13 3  o 10.5304  0.0855776 110.925      1.80234  110.591      2.5496   111.257      2.54819  10.5129  0.12126   10.5446  0.12083   
1 1 1 39 13 4  o 23.2297  0.167076  540.285      7.76223  536.73       10.6546  544.306      11.3316  23.14    0.23022   23.2995  0.243172  
1 1 1 39 13 5  o 14.4141  0.104011  207.87       2.99846  205.017      4.11433  211.101      4.37896  14.3116  0.143741  14.5217  0.150773  
1 1 1 39 13 6  o 7.80461  0.074208  60.928       1.15833  58.1294      1.59022  64.0913      1.69063  7.62226  0.104314  8.00355  0.105618  
1 1 1 39 13 7  o 7.74353  0.0737317 59.9789      1.14189  58.71        1.60115  61.2922      1.62895  7.66012  0.104512  7.82678  0.104063  
1 1 1 39 13 8  o 11.147   0.0909179 124.311      2.02692  124.964      2.94379  123.723      2.79499  11.1735  0.131731  11.1183  0.125693  
1 1 1 39 13 9  o 5.45412  0.071856  29.7564      0.783823 31.4517      1.12936  28.1808      1.08874  5.60653  0.100718  5.30694  0.102577  
1 1 1 39 13 10 o 3.9167   0.0790972 15.3465      0.6196   16.0883      0.895562 14.6655      0.858131 4.00945  0.111681  3.82804  0.112085  
1 1 1 39 13 11 o 7.28717  0.0760624 53.1238      1.10856  53.4477      1.6497   52.857       1.49689  7.30758  0.112876  7.26763  0.102984  
1 1 1 39 13 12 o 1.10059  0.255141  1.26585      0.551128 1.14516      0.775597 1.38894      0.783286 1.06714  0.33005   1.15782  0.325031  
1 1 1 39 13 13 o 7.51106  0.0773665 56.4452      1.16221  58.5206      1.62417  54.2673      1.66376  7.64613  0.106209  7.36255  0.112988  
1 1 1 39 13 14 o 6.22605  0.0766782 38.7871      0.954805 39.3926      1.31791  38.1182      1.3852   6.27284  0.105049  6.17005  0.112252  
1 1 1 39 13 15 o 11.8234  0.0949837 139.933      2.24606  139.089      3.25482  140.699      3.10341  11.7812  0.138136  11.8504  0.130941  
1 1 1 39 13 16 f 4.25137  0.0826608 18.0893      0.702843 17.7436      0.970264 18.471       1.0195   4.20887  0.115264  4.29407  0.118711  
1 1 1 39 13 17 o 3.92156  0.0930256 15.3971      0.72961  15.5729      1.01248  15.2072      1.05232  3.94173  0.128431  3.89469  0.135097  
1 1 1 39 13 18 o 4.64397  0.0869728 21.5914      0.807799 21.4214      1.09252  21.7964      1.1998   4.62334  0.118153  4.6627   0.128659  
1 1 1 39 13 19 o 2.06658  0.149206  4.28736      0.61669  4.59446      0.864053 3.9685       0.880439 2.1358   0.202279  1.98354  0.221937  
1 1 1 39 13 20 o 4.9004   0.0821963 24.0459      0.80559  24.0685      1.10337  24.0202      1.17893  4.89986  0.112592  4.89407  0.120445  
1 1 1 39 13 21 o 4.44456  0.0892628 19.7878      0.793468 18.9248      1.10304  20.7132      1.14225  4.34284  0.126996  4.54356  0.1257    
1 1 1 39 13 22 o 2.70273  0.123254  7.332        0.666246 7.85482      0.898125 6.69223      0.993505 2.79381  0.160735  2.57522  0.192897  
1 1 1 39 13 23 o 2.84355  0.127325  8.12295      0.724109 7.46961      0.973729 8.93125      1.08306  2.72083  0.17894   2.97468  0.182047  
1 1 1 39 13 24 o 5.03836  0.0904409 25.4505      0.911347 24.6161      1.25866  26.37        1.3213   4.94876  0.127169  5.12165  0.128992  
1 1 1 39 13 25 o 1.37403  0.281767  2.00859      0.747669 2.60391      1.08911  1.47795      1.02824  1.54909  0.358373  1.19112  0.38184   
1 1 1 39 13 26 o 2.05313  0.180735  4.26724      0.742148 4.57693      1.00894  3.90212      1.09551  2.11674  0.238324  1.94641  0.281418  
1 1 1 39 13 27 o 3.37237  0.128777  11.4504      0.86857  11.4162      1.18349  11.4903      1.27872  3.35719  0.176261  3.3646   0.190025  
1 1 1 39 13 28 o 0.857135 0.319399  0.619391     0.733073 0.39563      1.01696  0.861433     1.05768  0.885735 0.361846  1.00974  0.381987  
1 1 1 39 13 29 o 1.04425  0.33824   1.14743      0.805312 1.66584      1.11743  0.587214     1.16162  1.23676  0.398216  0.965632 0.389609  
1 1 1 39 13 30 o 3.1399   0.140956  9.98366      0.885177 10.466       1.2333   9.47122      1.27122  3.19716  0.192875  3.0351   0.209419  
1 1 1 39 13 31 o 3.12383  0.149901  9.9219       0.936532 10.5758      1.32287  9.26479      1.32605  3.20164  0.206592  2.98963  0.221775  
1 1 1 39 13 32 o 1.98229  0.219176  4.07885      0.86894  4.62337      1.26879  3.59785      1.19249  2.07479  0.305764  1.79105  0.345222  
1 1 1 39 13 33 o 2.14286  0.209713  4.77882      0.898772 4.43002      1.26854  5.1304       1.27359  2.01433  0.314878  2.18058  0.29203   
1 1 1 39 13 34 o 1.0752   0.349996  1.3309       0.861872 2.3259       1.19568  0.254779     1.24347  1.37232  0.406903  0.881518 0.382018  
1 1 1 39 13 35 o 0.876614 0.341753  0.710001     0.864125 0.686586     1.19493  0.73567      1.25112  0.938902 0.389037  0.959372 0.397833  
1 1 1 39 13 36 o 1.767    0.269608  3.50465      0.952793 4.72774      1.33619  2.23945      1.359    1.96211  0.35339   1.27232  0.439158  
1 1 1 39 13 37 o 1.19422  0.353451  1.84206      0.902735 3.03475      1.29363  0.709947     1.26034  1.47085  0.419259  0.910776 0.389396  
1 1 1 39 13 38 o 0.91159  0.361465  1.06076      0.979246 1.37078      1.46969  0.81325      1.31321  0.990835 0.421959  0.890053 0.389164  
1 1 1 39 13 39 o 0.733231 0.331955  0.262299     1.04374  1.59005      1.47224  -1.07933     1.47992  0.978697 0.419726  0.67853  0.331265  
1 1 1 39 13 40 o 1.37622  0.402022  3.31457      1.17529  5.00656      1.66398  1.63019      1.66023  1.5137   0.485795  0.903956 0.41213   
1 1 1 39 13 41 o 0.616226 0.300483  -0.318343    1.20433  -0.164954    1.73445  -0.461149    1.67354  0.677439 0.336237  0.656501 0.32645   
1 1 1 39 14 0  o 3.06119  0.142528  9.43593      0.868304 9.43593      0.868304 9.43593      0.868304 3.06653  0.100354  ?        ?         
1 1 1 39 14 1  o 6.70096  0.0735988 44.9139      0.986366 44.342       1.45756  45.397       1.33974  6.65716  0.109473  6.73621  0.0994431 
1 1 1 39 14 2  o 8.3954   0.0788836 70.5029      1.32452  67.2385      1.83793  74.0301      1.91049  8.19753  0.112103  8.60163  0.111054  
1 1 1 39 14 3  o 4.12586  0.0763256 17.0273      0.629817 15.8637      0.870485 18.3057      0.912382 3.9818   0.109308  4.27737  0.106652  
1 1 1 39 14 4  o 12.3068  0.0945006 151.521      2.32599  150.312      3.2319   152.821      3.35019  12.255   0.13186   12.3566  0.135563  
1 1 1 39 14 5  o 6.9028   0.0693534 47.6602      0.957465 48.1448      1.35781  47.1808      1.35035  6.93698  0.0978673 6.86717  0.0983189 
1 1 1 39 14 6  o 3.91464  0.0743604 15.3289      0.582188 15.2835      0.791349 15.3824      0.859551 3.90837  0.101238  3.9208   0.109614  
1 1 1 39 14 7  o 9.18428  0.0826846 84.383       1.5188   84.672       2.22448  84.1306      2.07873  9.19802  0.120921  9.16902  0.113356  
1 1 1 39 14 8  o 9.5599   0.086579  91.4319      1.65537  91.4072      2.43716  91.4532      2.25548  9.55614  0.127518  9.5592   0.117974  
1 1 1 39 14 9  o 4.83023  0.072295  23.3388      0.698403 22.4867      1.02093  24.0883      0.957499 4.74027  0.107687  4.9065   0.0975744 
1 1 1 39 14 10 o 1.81034  0.136953  3.28151      0.495862 3.81554      0.729057 2.82182      0.676409 1.951    0.186842  1.67748  0.201615  
1 1 1 39 14 11 o 3.2798   0.0907701 10.7637      0.595415 10.0474      0.862501 11.4158      0.822976 3.16755  0.136146  3.37683  0.121856  
1 1 1 39 14 12 o 13.3501  0.101474  178.38       2.70937  179.176      4.03623  177.727      3.65528  13.3728  0.150912  13.3208  0.137202  
1 1 1 39 14 13 o 4.70035  0.0811395 22.1076      0.762768 22.4593      1.07026  21.7445      1.08738  4.73618  0.112988  4.66     0.116671  
1 1 1 39 14 14 o 11.7655  0.0961926 138.565      2.2635   139.079      3.20887  138.056      3.19334  11.7814  0.136184  11.738   0.136025  
1 1 1 39 14 15 o 2.50701  0.121608  6.29601      0.609743 5.89121      0.865147 6.69554      0.859494 2.42263  0.178555  2.58336  0.166352  
1 1 1 39 14 16 o 4.3279   0.0853406 18.7489      0.738691 17.675       1.05597  19.7781      1.03372  4.19973  0.125719  4.44324  0.116325  
1 1 1 39 14 17 o 5.54575  0.078961  30.7834      0.875795 30.3173      1.2449   31.2401      1.23232  5.50091  0.113154  5.58427  0.110338  
1 1 1 39 14 18 o 2.19997  0.138728  4.85518      0.610395 5.7885       0.827673 3.74228      0.9038   2.40003  0.17243   1.92573  0.234664  
1 1 1 39 14 19 o 4.58993  0.0857456 21.0962      0.787132 22.0544      1.08533  20.033       1.14328  4.69037  0.115697  4.46902  0.127912  
1 1 1 39 14 20 o 2.41068  0.136976  5.83371      0.660412 5.83021      0.884485 5.83813      0.992798 2.40632  0.183784  2.40581  0.206333  
1 1 1 39 14 21 o 1.04779  0.283816  1.15539      0.609445 1.08138      0.834564 1.23996      0.892078 1.04601  0.344406  1.10809  0.355704  
1 1 1 39 14 22 o 1.74439  0.193064  3.07294      0.67356  2.59191      0.880249 3.75246      1.04622  1.56869  0.291473  1.91846  0.272672  
1 1 1 39 14 23 o 2.34144  0.14528   5.51667      0.680331 5.7577       0.959078 5.27254      0.965218 2.38535  0.201035  2.2812   0.21156   
1 1 1 39 14 24 o 3.34373  0.113637  11.2286      0.759943 11.5141      1.08454  10.9532      1.06516  3.37862  0.160501  3.29509  0.161629  
1 1 1 39 14 25 o 4.04517  0.110227  16.4347      0.891773 16.3663      1.27828  16.4996      1.24471  4.02722  0.158705  4.04468  0.15387   
1 1 1 39 14 26 o 2.44809  0.152138  6.04803      0.744895 5.07984      1.01531  7.1767       1.09622  2.23108  0.227537  2.65662  0.206319  
1 1 1 39 14 27 o 0.71938  0.30579   0.0615519    0.769322 1.19879      1.04371  -1.29146     1.13842  1.10164  0.384413  0.66478  0.315837  
1 1 1 39 14 28 o 2.11291  0.180363  4.54106      0.762182 3.80185      1.02766  5.44482      1.13629  1.91365  0.268507  2.2965   0.247396  
1 1 1 39 14 29 o 3.64814  0.125792  13.4338      0.917814 13.2195      1.24745  13.6868      1.3552   3.60395  0.173067  3.66252  0.185009  
1 1 1 39 14 30 o 0.683809 0.302536  -0.174039    0.817804 -0.721699    1.11488  0.463894     1.20327  0.717258 0.331184  0.94511  0.390926  
1 1 1 39 14 31 o 2.45225  0.187618  6.17337      0.920174 6.31446      1.30342  6.03318      1.29923  2.44819  0.266201  2.39049  0.27175   
1 1 1 39 14 32 o 4.15487  0.119335  17.4741      0.991646 18.5336      1.40726  16.429       1.39759  4.25556  0.165343  4.00138  0.174639  
1 1 1 39 14 33 o 2.22835  0.203971  5.17543      0.909036 4.47954      1.23652  5.99386      1.34097  2.02336  0.30556   2.35381  0.284851  
1 1 1 39 14 34 o 1.16014  0.346931  1.58855      0.8667   0.88062      1.24193  2.26064      1.21008  0.996408 0.402511  1.34589  0.411449  
1 1 1 39 14 35 o 0.722681 0.318102  0.0228266    0.88954  -0.732617    1.23776  0.829795     1.27927  0.72479  0.339613  0.976076 0.40337   
1 1 1 39 14 36 o 0.898847 0.347053  0.869382     0.886673 1.57288      1.21259  0.0610062    1.29984  1.10056  0.410653  0.824291 0.371958  
1 1 1 39 14 37 o 1.87542  0.240782  3.95303      0.903135 4.57485      1.23333  3.23409      1.32616  1.93937  0.317973  1.49552  0.423926  
1 1 1 39 14 38 o 0.700955 0.320739  -0.0351485   1.01845  -0.150802    1.45174  0.0769325    1.42914  0.776686 0.364623  0.798527 0.371094  
1 1 1 39 14 39 o 0.713486 0.323847  0.296447     1.00043  0.571974     1.40892  0.0162477    1.42081  0.804449 0.371771  0.745002 0.353425  
1 1 1 39 14 40 o 0.994952 0.39416   1.86455      1.16343  3.13691      1.59583  0.421077     1.69976  1.14625  0.459064  0.787513 0.377512  
1 1 1 39 15 0  o 1.71287  0.242718  3.1102       0.783703 3.1102       0.783703 3.1102       0.783703 1.74065  0.162433  ?        ?         
1 1 1 39 15 1  o 5.23499  0.0720423 27.4122      0.754281 26.6453      1.02147  28.3317      1.11856  5.16066  0.0989667 5.3213   0.105102  
1 1 1 39 15 2  o 5.68897  0.0720318 32.3728      0.819574 32.945       1.22589  31.9103      1.10208  5.73814  0.106819  5.64757  0.097571  
1 1 1 39 15 3  o 18.3321  0.134219  336.376      4.92102  335.843      6.96407  336.907      6.95468  18.3091  0.190181  18.3382  0.189623  
1 1 1 39 15 4  o 8.38591  0.0738381 70.3438      1.2384   70.0788      1.74557  70.6124      1.75721  8.36891  0.104289  8.4007   0.104587  
1 1 1 39 15 5  o 3.14731  0.0796986 9.90899      0.501672 9.90222      0.678157 9.91718      0.745566 3.14578  0.107788  3.14795  0.118421  
1 1 1 39 15 6  o 7.88379  0.079373  62.1765      1.25152  62.0121      1.75243  62.3476      1.78794  7.87199  0.111308  7.89316  0.113259  
1 1 1 39 15 7  o 3.62714  0.0987062 13.1638      0.716042 13.7467      1.02705  12.6126      0.99881  3.7055   0.138585  3.5493   0.140705  
1 1 1 39 15 8  o 2.77869  0.11535   7.72768      0.641042 7.20712      0.918891 8.22123      0.894732 2.68207  0.171303  2.86502  0.156148  
1 1 1 39 15 9  o 6.57104  0.0771779 43.1963      1.01428  42.1601      1.40848  44.3124      1.46182  6.49043  0.108505  6.65397  0.109846  
1 1 1 39 15 10 o 4.55085  0.0816605 20.7206      0.74325  20.5397      0.996854 20.9471      1.11532  4.53     0.110028  4.57423  0.121914  
1 1 1 39 15 11 o 1.94951  0.129255  3.80586      0.503965 2.93375      0.732753 4.58869      0.694236 1.70953  0.214314  2.13977  0.162222  
1 1 1 39 15 12 o 9.49267  0.081994  90.1687      1.55668  92.8099      2.23617  87.6853      2.16836  9.62761  0.116133  9.35806  0.115855  
1 1 1 39 15 13 o 7.77133  0.0795646 60.4342      1.23665  61.0826      1.75271  59.7915      1.74508  7.81033  0.112204  7.72729  0.112917  
1 1 1 39 15 14 o 8.22614  0.0794501 67.718       1.30713  67.4405      1.87827  67.9786      1.82023  8.20606  0.114444  8.23916  0.110462  
1 1 1 39 15 15 o 3.81315  0.0883181 14.5546      0.67354  15.4112      0.954271 13.7043      0.950799 3.92199  0.121656  3.69801  0.128555  
1 1 1 39 15 16 o 1.22504  0.241772  1.56471      0.571274 0.924893     0.806007 2.21059      0.809812 0.992607 0.338463  1.45357  0.288819  
1 1 1 39 15 17 o 3.56806  0.0902441 12.7472      0.643993 11.8775      0.879326 13.7534      0.945788 3.44194  0.127737  3.7038   0.127678  
1 1 1 39 15 18 o 5.14532  0.0840281 26.5074      0.864703 27.1912      1.18136  25.7182      1.26909  5.20856  0.113406  5.06425  0.125299  
1 1 1 39 15 19 o 5.75011  0.0817769 33.1075      0.940453 33.088       1.30609  33.1286      1.35528  5.74489  0.113674  5.74786  0.117894  
1 1 1 39 15 20 o 8.95775  0.0855724 80.3669      1.53307  78.1879      2.10828  82.812       2.2333   8.82904  0.119394  9.08556  0.122904  
1 1 1 39 15 21 o 1.20217  0.268085  1.52734      0.62796  1.97359      0.81861  0.889268     0.978861 1.36307  0.307575  1.01676  0.370509  
1 1 1 39 15 22 o 2.92821  0.122038  8.61032      0.714707 9.46816      0.967333 7.57911      1.06059  3.06641  0.15773   2.73873  0.193628  
1 1 1 39 15 23 o 3.61102  0.102546  13.0821      0.740592 14.1798      1.05234  12.0049      1.04244  3.75411  0.140158  3.45253  0.150968  
1 1 1 39 15 24 o 5.77089  0.0925719 33.4048      1.06844  33.34        1.55437  33.4627      1.47108  5.75532  0.135038  5.76792  0.127523  
1 1 1 39 15 25 o 4.01294  0.102821  16.166       0.825227 16.8233      1.13597  15.4316      1.20082  4.08707  0.138972  3.91133  0.153505  
1 1 1 39 15 26 o 4.10887  0.103372  16.9552      0.849484 17.1191      1.17903  16.7784      1.22499  4.12047  0.14307   4.07755  0.150211  
1 1 1 39 15 27 f 1.62881  0.237985  2.72818      0.775265 2.13117      1.06498  3.40123      1.13076  1.38766  0.374869  1.77176  0.331387  
1 1 1 39 15 28 o 0.948146 0.321944  0.902353     0.729252 1.44017      1.01456  0.327468     1.04894  1.16175  0.379734  0.877626 0.364124  
1 1 1 39 15 29 o 1.99756  0.208598  4.09695      0.833377 3.89127      1.09787  4.3766       1.28017  1.92472  0.285203  2.03045  0.315242  
1 1 1 39 15 30 o 2.893    0.156074  8.51438      0.903045 6.87819      1.24477  10.3323      1.31209  2.5697   0.242201  3.16654  0.20718   
1 1 1 39 15 31 o 1.75746  0.247724  3.23355      0.870728 2.38088      1.24634  4.04651      1.21697  1.42896  0.412896  1.93987  0.313674  
1 1 1 39 15 32 o 4.46356  0.119626  20.1742      1.06792  19.9988      1.45534  20.3789      1.57192  4.4196   0.164647  4.45369  0.176474  
1 1 1 39 15 33 o 1.18872  0.344709  1.6456       0.867168 1.84905      1.18054  1.40717      1.27797  1.24245  0.40962   1.13158  0.421707  
1 1 1 39 15 34 o 1.18864  0.347133  1.6783       0.876379 1.60754      1.22603  1.75223      1.25319  1.16147  0.415498  1.19894  0.420955  
1 1 1 39 15 35 o 1.21825  0.345542  1.81886      0.880822 0.932882     1.23263  2.74337      1.25914  0.981075 0.39918   1.44519  0.414173  
1 1 1 39 15 36 o 0.877448 0.348865  0.782041     0.914428 0.913937     1.29809  0.652115     1.28836  0.960529 0.402198  0.911882 0.391908  
1 1 1 39 15 37 o 1.16332  0.360552  1.84537      0.924923 2.49638      1.29688  1.17146      1.31949  1.27611  0.429329  0.972966 0.406328  
1 1 1 39 15 38 o 0.947194 0.372168  1.24926      1.02935  2.33269      1.44653  0.13787      1.46508  1.15719  0.44409   0.807    0.375301  
1 1 1 39 15 39 o 0.898944 0.362252  1.29825      1.00247  0.65669      1.43595  1.90821      1.40013  0.803463 0.372845  0.983302 0.414991  
1 1 1 39 15 40 o 0.813423 0.356514  1.02911      1.10757  1.13428      1.6016   0.932724     1.53331  0.828711 0.387951  0.806555 0.377937  
1 1 1 39 16 0  f 5.7487   0.100681  33.087       1.15676  33.087       1.15676  33.087       1.15676  5.75042  0.0711459 ?        ?         
1 1 1 39 16 1  o 9.45457  0.079106  89.4194      1.49583  90.0772      2.10682  88.7507      2.12412  9.48774  0.111029  9.41752  0.112775  
1 1 1 39 16 2  o 10.7416  0.0851138 115.429      1.82852  116.662      2.601    114.224      2.5711   10.7968  0.120453  10.6833  0.120333  
1 1 1 39 16 3  o 18.609   0.133152  346.638      4.95565  347.881      7.03496  345.414      6.98204  18.633   0.188777  18.567   0.188023  
1 1 1 39 16 4  o 9.77786  0.0853847 95.6467      1.66976  96.2709      2.39002  95.0514      2.33378  9.80759  0.121845  9.74541  0.119737  
1 1 1 39 16 5  o 3.58077  0.0780874 12.8266      0.559226 11.901       0.809872 13.6701      0.773136 3.44836  0.117428  3.6961   0.104588  
1 1 1 39 16 6  o 5.90302  0.0771045 34.8585      0.910298 33.8506      1.31226  35.7933      1.26382  5.81581  0.112818  5.98066  0.105659  
1 1 1 39 16 7  o 5.69725  0.075886  32.4709      0.864683 32.7648      1.28759  32.2295      1.16698  5.72165  0.11252   5.67511  0.102815  
1 1 1 39 16 8  o 6.33735  0.074981  40.1777      0.950361 40.9379      1.38533  39.502       1.30619  6.39562  0.108303  6.28266  0.103952  
1 1 1 39 16 9  f 4.25576  0.0884711 18.1222      0.753023 18.3689      1.09772  17.9028      1.03492  4.28321  0.128142  4.22876  0.122367  
1 1 1 39 16 10 f 9.38748  0.0863045 88.1795      1.62036  87.3399      2.26656  89.0572      2.31737  9.33981  0.121338  9.43103  0.122859  
1 1 1 39 16 11 o 7.67004  0.0781695 58.8636      1.19913  58.0012      1.72157  59.6762      1.67119  7.61126  0.113094  7.72077  0.108227  
1 1 1 39 16 12 o 2.10109  0.120389  4.42134      0.505895 4.15313      0.710507 4.69713      0.720485 2.03468  0.174599  2.16415  0.166459  
1 1 1 39 16 13 o 3.59134  0.0900329 12.9095      0.646678 13.3737      0.925392 12.4664      0.904063 3.65371  0.126637  3.52752  0.128144  
1 1 1 39 16 14 o 7.29994  0.0774369 53.3287      1.13057  52.5859      1.61025  54.0509      1.58772  7.24605  0.111112  7.3466   0.108058  
1 1 1 39 16 15 o 2.74909  0.109708  7.57009      0.603194 7.68238      0.85262  7.45756      0.85347  2.76715  0.154061  2.72622  0.15653   
1 1 1 39 16 16 o 5.24783  0.0789726 27.5655      0.82887  26.7367      1.17598  28.3838      1.16845  5.16567  0.113827  5.32277  0.10976   
1 1 1 39 16 17 o 5.47734  0.0795433 30.0334      0.871372 29.354       1.17094  30.8765      1.30445  5.41255  0.108169  5.55014  0.117515  
1 1 1 39 16 18 o 7.29184  0.0837349 53.2413      1.22116  55.2126      1.77115  51.4552      1.68596  7.42053  0.119341  7.16385  0.117672  
1 1 1 39 16 19 o 3.94696  0.0920063 15.6057      0.726292 14.9851      0.994844 16.314       1.06278  3.8645   0.128716  4.03189  0.131797  
1 1 1 39 16 20 o 3.15687  0.108807  9.99283      0.68698  9.87924      0.952278 10.1161      0.992013 3.13489  0.151884  3.17175  0.156383  
1 1 1 39 16 21 o 0.901837 0.304099  0.782788     0.650652 0.175269     0.855389 1.6169       1.00229  0.78959  0.328284  1.24107  0.373479  
1 1 1 39 16 22 o 4.26714  0.092098  18.2541      0.785991 18.222       1.08013  18.2901      1.1459   4.2587   0.126814  4.26543  0.134325  
1 1 1 39 16 23 o 1.09801  0.293372  1.28301      0.656741 1.44618      0.922944 1.11564      0.934712 1.17288  0.35949   1.06808  0.364485  
1 1 1 39 16 24 f 1.61339  0.229269  2.6522       0.7398   2.34407      1.05884  2.94608      1.03407  1.4683   0.362313  1.65974  0.323042  
1 1 1 39 16 25 o 0.740626 0.297982  0.285108     0.676791 -0.334309    0.935795 0.964411     0.979988 0.714636 0.319286  1.02833  0.371115  
1 1 1 39 16 26 f 5.87901  0.0920113 34.69        1.08187  36.0808      1.53186  33.306       1.52814  5.98534  0.127968  5.74898  0.132905  
1 1 1 39 16 27 f 2.2608   0.173397  5.18945      0.784032 4.62193      1.06965  5.84836      1.15256  2.11567  0.252792  2.38307  0.241823  
1 1 1 39 16 28 o 2.5012   0.155079  6.34353      0.775765 6.31045      1.05555  6.38239      1.14398  2.47952  0.212853  2.48829  0.229872  
1 1 1 39 16 29 o 1.52948  0.278136  2.52128      0.81938  1.95         1.11909  3.18146      1.20302  1.31631  0.394342  1.68363  0.367433  
1 1 1 39 16 30 o 1.92941  0.219072  3.85605      0.84536  3.77877      1.1858   3.93592      1.20548  1.8466   0.333265  1.91452  0.314827  
1 1 1 39 16 31 o 2.92844  0.155774  8.74032      0.912348 8.72841      1.26663  8.75316      1.31525  2.9002   0.21837   2.90018  0.226753  
1 1 1 39 16 32 o 4.34432  0.1267    19.1509      1.10085  19.8947      1.46365  18.182       1.67043  4.40491  0.166138  4.1883   0.199417  
1 1 1 39 16 33 o 0.894029 0.339505  0.758542     0.838158 -0.0129094   1.15779  1.60803      1.21494  0.813817 0.360023  1.17011  0.414111  
1 1 1 39 16 34 o 1.68103  0.263803  3.08557      0.886925 2.8121       1.2103   3.40277      1.30347  1.49874  0.397274  1.65188  0.398545  
1 1 1 39 16 35 o 1.80457  0.26028   3.61688      0.939391 4.6163       1.31336  2.57002      1.34417  1.94604  0.350204  1.3669   0.436415  
1 1 1 39 16 36 o 1.55136  0.293058  2.85621      0.876101 2.89843      1.23555  2.81352      1.24247  1.45171  0.408444  1.42497  0.412418  
1 1 1 39 16 37 o 1.15154  0.372901  1.886        0.978858 1.11693      1.40306  2.6153       1.3663   0.953464 0.409353  1.27031  0.440155  
1 1 1 39 16 38 o 0.672028 0.311476  -0.154081    0.998273 -1.7981      1.41704  1.46572      1.40656  0.624213 0.308479  0.980669 0.415012  
1 1 1 39 16 39 o 0.972083 0.370151  1.64646      0.998538 1.11068      1.44869  2.13138      1.37823  0.844498 0.38501   1.00718  0.4176    
1 1 1 39 16 40 o 0.789851 0.35103   1.11286      1.11777  -0.262302    1.57822  2.4969       1.58331  0.672361 0.331155  0.934988 0.416588  
1 1 1 39 17 0  o 5.03154  0.0995035 25.3535      1.00043  25.3535      1.00043  25.3535      1.00043  5.03339  0.0703027 ?        ?         
1 1 1 39 17 1  o 8.78714  0.075191  77.2396      1.32143  74.3049      1.83934  80.37        1.89969  8.61712  0.106726  8.96195  0.105986  
1 1 1 39 17 2  o 18.345   0.13783   336.922      5.057    332.859      7.2538   340.764      7.05374  18.2228  0.199031  18.4395  0.191267  
1 1 1 39 17 3  o 10.2989  0.0848996 106.113      1.74874  107.113      2.56126  105.24       2.39344  10.3447  0.123796  10.2544  0.116703  
1 1 1 39 17 4  o 16.2817  0.122418  265.344      3.98637  266.244      5.72423  264.497      5.55475  16.3011  0.175578  16.2483  0.170933  
1 1 1 39 17 5  o 9.91037  0.0852788 98.2619      1.69029  94.7161      2.42379  101.619      2.35841  9.72725  0.124588  10.0761  0.11703   
1 1 1 39 17 6  o 14.4671  0.114159  209.483      3.30311  207.364      4.81853  211.361      4.53679  14.3862  0.167471  14.526   0.156161  
1 1 1 39 17 7  o 12.2195  0.100009  149.425      2.44412  150.065      3.69315  148.926      3.26022  12.2399  0.150865  12.1956  0.133664  
1 1 1 39 17 8  o 12.1827  0.101954  148.537      2.48415  151.372      3.76468  146.35       3.30607  12.292   0.153135  12.0887  0.136742  
1 1 1 39 17 9  o 6.17856  0.0765161 38.1936      0.945519 38.3326      1.37777  38.07        1.29995  6.18805  0.111325  6.16716  0.105393  
1 1 1 39 17 10 o 6.73783  0.0752595 45.423       1.01417  46.1154      1.46776  44.7903      1.40295  6.78706  0.108129  6.68906  0.104869  
1 1 1 39 17 11 o 1.75751  0.175555  3.09886      0.617081 3.18907      0.877656 3.01066      0.867795 1.78016  0.246511  1.72945  0.250888  
1 1 1 39 17 12 o 2.56633  0.102414  6.59378      0.525655 6.64783      0.879984 6.56379      0.655443 2.57414  0.170928  2.55965  0.128034  
1 1 1 39 17 13 o 5.21341  0.0811104 27.2014      0.845723 27.0099      1.20339  27.3883      1.18881  5.19285  0.11587   5.22926  0.113669  
1 1 1 39 17 14 o 7.53666  0.0779714 56.8483      1.17529  57.8597      1.6757   55.8691      1.64884  7.60027  0.110239  7.46837  0.110388  
1 1 1 39 17 15 o 5.32935  0.0775925 28.4271      0.827036 29.2492      1.11687  27.4291      1.2306   5.40398  0.103338  5.23193  0.117604  
1 1 1 39 17 16 o 9.533    0.0871765 90.9901      1.66211  91.8049      2.28171  90.0689      2.42607  9.57036  0.119207  9.47776  0.127988  
1 1 1 39 17 17 o 3.67357  0.0965548 13.518       0.709401 13.1047      0.992577 13.9495      1.01426  3.61383  0.13733   3.72862  0.136011  
1 1 1 39 17 18 o 7.44936  0.0816198 55.5671      1.21603  55.411       1.73536  55.7177      1.70451  7.43375  0.116722  7.4547   0.114325  
1 1 1 39 17 19 o 1.78243  0.172098  3.19747      0.613505 2.71568      0.845262 3.73384      0.891867 1.63621  0.258299  1.92119  0.232113  
1 1 1 39 17 20 o 2.58894  0.129922  6.73048      0.67272  6.31893      0.911527 7.22277      0.996939 2.50357  0.182046  2.67613  0.186265  
1 1 1 39 17 21 o 1.0002   0.292201  1.04454      0.620855 1.28574      0.836093 0.748056     0.926966 1.11316  0.342356  0.961248 0.358971  
1 1 1 39 17 22 o 3.5821   0.102588  12.8733      0.734963 12.8326      0.998338 12.9215      1.08597  3.57141  0.139768  3.58185  0.151594  
1 1 1 39 17 23 o 0.586396 0.26718   -0.424707    0.695381 -1.20917     1.02928  0.234014     0.943186 0.63213  0.300321  0.832478 0.34533   
1 1 1 39 17 24 o 3.58119  0.11421   12.8853      0.818017 12.1721      1.12771  13.6773      1.18837  3.4722   0.162391  3.68085  0.161427  
1 1 1 39 17 25 f 2.31982  0.153448  5.43219      0.711942 6.34657      0.994568 4.47126      1.01957  2.49943  0.198959  2.08968  0.243954  
1 1 1 39 17 26 o 5.03376  0.0994487 25.4632      1.0012   24.9971      1.39532  25.9578      1.43745  4.97568  0.140213  5.06986  0.141765  
1 1 1 39 17 27 o 0.724893 0.300651  0.187947     0.714726 0.697867     0.964969 -0.431764    1.06379  0.940902 0.362309  0.744465 0.336185  
1 1 1 39 17 28 o 0.99164  0.325158  1.02315      0.743888 0.988609     1.00701  1.06464      1.10365  1.02595  0.375609  1.06476  0.392867  
1 1 1 39 17 29 o 3.12348  0.142137  9.8896       0.887927 9.71692      1.226    10.0801      1.28771  3.07608  0.199279  3.13037  0.20568   
1 1 1 39 17 30 o 0.694059 0.305431  -0.111496    0.819687 0.0740342    1.15865  -0.297384    1.15977  0.851927 0.368971  0.790546 0.354265  
1 1 1 39 17 31 o 2.81409  0.15946   8.09326      0.897469 7.49419      1.2334   8.76736      1.30834  2.67703  0.230367  2.89804  0.225729  
1 1 1 39 17 32 o 0.560865 0.270133  -1.17766     0.896227 -1.7716      1.21712  -0.474202    1.3246   0.629299 0.305748  0.805941 0.367625  
1 1 1 39 17 33 o 2.10988  0.215812  4.70517      0.910678 5.59069      1.21652  3.57634      1.37352  2.26717  0.26829   1.69845  0.408693  
1 1 1 39 17 34 o 0.692908 0.308996  -0.107474    0.872771 -1.68055     1.22517  1.51331      1.24361  0.627132 0.305311  1.12411  0.41658   
1 1 1 39 17 35 o 1.91698  0.238265  4.04598      0.9135   4.50818      1.26246  3.53804      1.32346  1.94852  0.323955  1.62812  0.407101  
1 1 1 39 17 36 o 1.87255  0.240085  3.92138      0.899142 3.63948      1.23018  4.2447       1.31746  1.65844  0.379002  1.79652  0.378529  
1 1 1 39 17 37 f 1.89001  0.254878  4.19853      0.963443 4.47391      1.37823  3.93536      1.34733  1.75427  0.401337  1.61809  0.414488  
1 1 1 39 17 38 o 0.69005  0.315255  0.109498     0.979612 -1.54667     1.39197  1.73467      1.37888  0.621359 0.306748  0.993321 0.415135  
1 1 1 39 17 39 o 1.15546  0.387367  2.35812      1.05575  3.60869      1.65002  1.49123      1.37377  1.21624  0.472639  0.900927 0.395943  
1 1 1 39 18 0  o 1.4317   0.300232  2.30479      0.756882 2.30479      0.756882 2.30479      0.756882 1.48295  0.187154  ?        ?         
1 1 1 39 18 1  o 6.92737  0.0737544 48.0054      1.02185  46.5227      1.45609  49.4441      1.43438  6.81821  0.106779  7.02926  0.102029  
1 1 1 39 18 2  o 12.3778  0.0941841 153.299      2.33158  150.289      3.32435  156.212      3.271    12.2518  0.135668  12.4914  0.13093   
1 1 1 39 18 3  o 9.23849  0.077887  85.3843      1.43912  87.8614      2.12971  83.3027      1.95228  9.36934  0.113653  9.1235   0.106992  
1 1 1 39 18 4  f 11.0831  0.0877292 122.9        1.94462  120.613      2.78634  125.072      2.71526  10.9762  0.126926  11.1778  0.121458  
1 1 1 39 18 5  o 4.21573  0.0817175 17.7809      0.688997 17.3963      1.00788  18.1183      0.944029 4.16867  0.120888  4.25465  0.110941  
1 1 1 39 18 6  o 4.38416  0.0844202 19.2312      0.740223 19.5477      1.05601  18.9254      1.03789  4.41887  0.119489  4.34797  0.119354  
1 1 1 39 18 7  o 4.67755  0.082585  21.8915      0.77259  20.6985      1.08699  23.1094      1.09831  4.54692  0.11953   4.80467  0.114296  
1 1 1 39 18 8  o 12.991   0.105638  168.933      2.74469  166.512      4.00016  171.086      3.77296  12.8903  0.155162  13.068   0.144359  
1 1 1 39 18 9  o 2.33313  0.136055  5.45333      0.634865 6.52825      0.956982 4.6084       0.848453 2.55068  0.187593  2.14264  0.197992  
1 1 1 39 18 10 o 8.05243  0.0806514 64.8863      1.29888  64.9329      1.87385  64.8431      1.80204  8.05237  0.116354  8.04723  0.111967  
1 1 1 39 18 11 o 3.67835  0.0958872 13.5441      0.705413 13.493       1.01014  13.5927      0.985521 3.6694   0.137644  3.68315  0.133788  
1 1 1 39 18 12 o 7.16247  0.0820713 51.3427      1.17567  49.6971      1.64716  53.0516      1.67857  7.04379  0.116923  7.27779  0.115321  
1 1 1 39 18 13 o 8.74331  0.0863766 76.5219      1.51043  73.4456      2.24314  79.0738      2.04301  8.56021  0.131022  8.88448  0.114976  
1 1 1 39 18 14 o 4.04315  0.081131  16.3626      0.656049 15.7098      0.958512 16.9379      0.899852 3.95935  0.121044  4.11199  0.109418  
1 1 1 39 18 15 o 6.8941   0.0816404 47.5785      1.12568  49.8155      1.60235  45.3988      1.58174  7.05077  0.11363   6.73047  0.117506  
1 1 1 39 18 16 o 6.84169  0.0799809 46.8614      1.09441  47.7141      1.4998   45.8904      1.60056  6.90032  0.108676  6.76586  0.118282  
1 1 1 39 18 17 o 5.37924  0.0828797 28.975       0.891659 27.364       1.22265  30.8052      1.30319  5.2241   0.11702   5.54279  0.117558  
1 1 1 39 18 18 o 3.09715  0.100187  9.61249      0.620587 9.57821      0.846453 9.65233      0.912555 3.08885  0.137018  3.09985  0.147194  
1 1 1 39 18 19 o 8.80326  0.0871787 77.6346      1.53491  77.8861      2.15782  77.377       2.1838   8.80995  0.122465  8.78064  0.124353  
1 1 1 39 18 20 f 3.39116  0.111206  11.5381      0.754235 12.3185      1.02723  10.6253      1.11099  3.49975  0.146757  3.24702  0.171078  
1 1 1 39 18 21 o 1.17859  0.267939  1.47326      0.61745  0.910748     0.826942 2.18199      0.92822  0.984058 0.342289  1.42704  0.331309  
1 1 1 39 18 22 o 4.33452  0.094389  18.8429      0.818261 19.1264      1.15155  18.5538      1.16293  4.36076  0.132035  4.29434  0.135402  
1 1 1 39 18 23 o 3.4012   0.118815  11.6269      0.808225 11.8225      1.1645   11.4451      1.12265  3.42048  0.170226  3.36615  0.166756  
1 1 1 39 18 24 o 2.13549  0.169424  4.61075      0.723607 3.36341      0.983479 6.08299      1.06846  1.80832  0.271932  2.44392  0.218596  
1 1 1 39 18 25 f 3.51677  0.111865  12.4326      0.78681  13.1967      1.08795  11.5948      1.13925  3.61543  0.15046   3.38489  0.168285  
1 1 1 39 18 26 o 2.62019  0.153594  6.9473       0.804888 7.11421      1.08574  6.74366      1.19927  2.63919  0.205696  2.56164  0.234083  
1 1 1 39 18 27 o 2.03475  0.181227  4.21832      0.737502 3.98297      1.01659  4.47981      1.07155  1.95806  0.259592  2.07708  0.257946  
1 1 1 39 18 28 o 3.77114  0.114194  14.3373      0.861281 15.8662      1.19605  12.6906      1.24128  3.95477  0.151216  3.52807  0.175915  
1 1 1 39 18 29 f 1.91883  0.21687   3.80805      0.832272 3.55063      1.13029  4.1129       1.23005  1.79337  0.32727   1.95914  0.313926  
1 1 1 39 18 30 o 1.78203  0.233016  3.30789      0.830485 3.52342      1.13146  3.05614      1.22281  1.78175  0.329918  1.63138  0.381255  
1 1 1 39 18 31 o 0.557955 0.267547  -1.07278     0.855307 -1.65602     1.17299  -0.410606    1.24984  0.627034 0.30345   0.797528 0.361987  
1 1 1 39 18 32 o 1.09738  0.353066  1.38159      0.878528 0.550287     1.21049  2.3068       1.27703  0.932747 0.389335  1.36699  0.423654  
1 1 1 39 18 33 o 1.18962  0.34077   1.67594      0.852574 0.875805     1.13837  2.69811      1.28665  0.974782 0.388717  1.45918  0.418835  
1 1 1 39 18 34 o 2.81355  0.174606  8.2834       0.982523 8.79406      1.37942  7.75755      1.3998   2.84103  0.242768  2.64829  0.264283  
1 1 1 39 18 35 o 0.619049 0.288305  -0.466739    0.868513 -0.248686    1.22527  -0.68694     1.23128  0.762107 0.350006  0.709797 0.333877  
1 1 1 39 18 36 o 1.04001  0.355737  1.438        0.890382 2.81368      1.29491  0.204307     1.22627  1.36909  0.427075  0.802648 0.361784  
1 1 1 39 18 37 o 0.966919 0.368662  1.31478      0.991582 1.6331       1.44677  1.0328       1.36171  1.02345  0.426316  0.918987 0.399034  
1 1 1 39 18 38 o 0.805088 0.343279  0.845392     0.974822 0.481105     1.42348  1.16711      1.33773  0.788733 0.368012  0.874221 0.386836  
1 1 1 39 18 39 o 0.648304 0.30549   -0.100475    1.03967  -0.0087897   1.56053  -0.173649    1.39412  0.731967 0.353498  0.698477 0.336536  
1 1 1 39 19 0  o 10.1017  0.118005  102.138      2.38339  102.138      2.38339  102.138      2.38339  10.104   0.0834107 ?        ?         
1 1 1 39 19 1  o 1.64304  0.164942  2.70483      0.542011 3.21388      0.774411 2.21601      0.758865 1.78969  0.216353  1.46169  0.269715  
1 1 1 39 19 2  o 2.94856  0.0908816 8.6992       0.535939 8.8328       0.742939 8.55424      0.773871 2.9703   0.125061  2.92288  0.132382  
1 1 1 39 19 3  o 5.56853  0.0686286 31.0194      0.764321 30.4939      1.09754  31.5141      1.06502  5.52008  0.0994138 5.61185  0.09489   
1 1 1 39 19 4  o 1.96401  0.153164  3.86429      0.60163  2.98154      0.88632  4.61858      0.819295 1.72229  0.257308  2.14606  0.190884  
1 1 1 39 19 5  o 12.1288  0.100482  147.227      2.43744  144.896      3.4803   149.471      3.41476  12.027   0.144686  12.2161  0.139764  
1 1 1 39 19 6  o 1.17424  0.265807  1.44234      0.609796 0.911616     0.873496 1.94688      0.851681 1.007    0.351646  1.36244  0.318037  
1 1 1 39 19 7  o 4.02718  0.0885631 16.23        0.713319 15.8227      1.03718  16.5955      0.982603 3.97465  0.130474  4.07101  0.120683  
1 1 1 39 19 8  o 3.69669  0.0908096 13.677       0.67139  13.716       0.966083 13.6405      0.933722 3.70033  0.13054   3.69033  0.126509  
1 1 1 39 19 9  o 11.3151  0.0987381 128.165      2.23446  122.629      3.04943  134.583      3.28356  11.0626  0.137826  11.5886  0.141671  
1 1 1 39 19 10 f 5.78902  0.0804342 33.5371      0.93127  33.8792      1.28287  33.1559      1.35404  5.81661  0.110276  5.75364  0.117668  
1 1 1 39 19 11 o 1.95647  0.154869  3.83887      0.605993 3.61227      0.897172 4.02898      0.821788 1.89417  0.236825  2.00213  0.205229  
1 1 1 39 19 12 o 6.90509  0.0815253 47.7224      1.12588  46.0392      1.57355  49.4879      1.6116   6.77915  0.116058  7.02862  0.114645  
1 1 1 39 19 13 o 3.48076  0.0963005 12.1318      0.670399 11.5608      0.945946 12.708       0.950243 3.39538  0.139299  3.56027  0.133451  
1 1 1 39 19 14 o 1.4574   0.170594  2.13356      0.497248 2.16043      0.732177 2.11056      0.677437 1.43978  0.264124  1.4466   0.234149  
1 1 1 39 19 15 o 5.24049  0.0795158 27.4925      0.833404 29.715       1.21678  25.5286      1.14382  5.44528  0.111728  5.04699  0.113317  
1 1 1 39 19 16 o 3.04588  0.10124   9.29539      0.616728 8.60157      0.876359 9.97616      0.868071 2.92664  0.149721  3.15285  0.137664  
1 1 1 39 19 17 o 5.12872  0.0803557 26.3385      0.824244 26.4367      1.11657  26.2209      1.22184  5.13549  0.108711  5.11321  0.119479  
1 1 1 39 19 18 o 3.7235   0.096311  13.8932      0.717228 15.2981      1.01037  12.4661      1.0183   3.90403  0.129402  3.52257  0.144539  
1 1 1 39 19 19 o 3.2319   0.106718  10.4753      0.689804 10.6797      0.935726 10.2319      1.02089  3.25953  0.143537  3.18846  0.160091  
1 1 1 39 19 20 o 2.52587  0.130026  6.41077      0.656856 6.20683      0.884917 6.66102      0.98025  2.48021  0.178395  2.5677   0.190881  
1 1 1 39 19 21 o 4.35372  0.0935686 19.0067      0.814744 18.526       1.15811  19.4779      1.14643  4.29192  0.134917  4.40166  0.130227  
1 1 1 39 19 22 o 2.92715  0.124759  8.61536      0.730374 9.03299      1.00863  8.15496      1.05902  2.99039  0.168645  2.83816  0.186568  
1 1 1 39 19 23 o 2.79578  0.139355  7.87105      0.77921  8.5563       1.14383  7.27766      1.0644   2.90471  0.196892  2.67855  0.198689  
1 1 1 39 19 24 o 3.87289  0.101319  15.0607      0.784796 14.6077      1.06709  15.5943      1.15824  3.80705  0.140147  3.9319   0.147287  
1 1 1 39 19 25 o 2.01576  0.175073  4.1236       0.705809 4.11039      0.963482 4.13889      1.03689  1.99967  0.240911  2.00238  0.258914  
1 1 1 39 19 26 o 1.22493  0.312175  1.63716      0.767182 1.53417      1.04092  1.75964      1.13511  1.19552  0.384281  1.26949  0.400612  
1 1 1 39 19 27 o 1.3036   0.291584  1.84897      0.741024 1.61215      1.00011  2.13723      1.10343  1.21249  0.374744  1.37948  0.385298  
1 1 1 39 19 28 o 2.84595  0.143693  8.20961      0.817888 8.29545      1.11381  8.10917      1.20488  2.84435  0.195794  2.80519  0.214759  
1 1 1 39 19 29 o 2.52681  0.167498  6.51931      0.846473 5.03604      1.14954  8.27622      1.25109  2.18821  0.262666  2.82537  0.221402  
1 1 1 39 19 30 o 3.67013  0.125346  13.6421      0.920075 13.3512      1.26006  13.9745      1.34661  3.60948  0.174549  3.6886   0.182537  
1 1 1 39 19 31 o 0.802509 0.329742  0.361444     0.849385 -0.333205    1.15705  1.17327      1.25084  0.77503  0.350267  1.08717  0.414193  
1 1 1 39 19 32 o 3.0985   0.152175  9.8616       0.94303  10.0021      1.33371  9.72111      1.33359  3.07905  0.216578  3.03309  0.21984   
1 1 1 39 19 33 o 0.875563 0.346327  0.675705     0.896906 0.800644     1.1966   0.515513     1.35494  0.963318 0.392851  0.940471 0.402972  
1 1 1 39 19 34 o 1.15822  0.347631  1.65979      0.869127 0.954823     1.15848  2.56745      1.31451  0.967069 0.389539  1.3713   0.430802  
1 1 1 39 19 35 o 0.684717 0.305331  -0.0185919   0.852123 0.616157     1.22272  -0.617989    1.18819  0.89091  0.382307  0.70245  0.32979   
1 1 1 39 19 36 o 0.799735 0.335582  0.588426     0.906899 -0.307283    1.32695  1.37353      1.24233  0.747548 0.35052   0.998123 0.402834  
1 1 1 39 19 37 o 1.83031  0.281861  4.11551      1.03179  3.87941      1.48069  4.33836      1.43856  1.51408  0.453601  1.65975  0.429994  
1 1 1 39 19 38 o 0.777608 0.338359  0.757117     0.982977 1.46593      1.50008  0.22371      1.3013   0.896645 0.402329  0.73366  0.344567  
1 1 1 39 19 39 o 0.54397  0.266599  -0.859565    0.983219 -0.513121    1.47434  -1.13705     1.31948  0.66072  0.324663  0.593786 0.294463  
1 1 1 39 20 0  o 1.01927  0.381104  1.40385      0.721459 1.40385      0.721459 1.40385      0.721459 1.09795  0.268459  ?        ?         
1 1 1 39 20 1  o 4.51803  0.0744197 20.4217      0.672461 21.5982      1.00709  19.4751      0.903348 4.64518  0.108402  4.41118  0.102393  
1 1 1 39 20 2  o 1.04777  0.2358    1.14677      0.48218  0.780336     0.65759  1.5729       0.709135 0.909797 0.305717  1.22537  0.292906  
1 1 1 39 20 3  o 8.86421  0.0768521 78.6133      1.36247  76.7235      1.92379  80.5151      1.92986  8.75472  0.109872  8.96863  0.10759   
1 1 1 39 20 4  o 6.65133  0.0784879 44.264       1.0441   43.2674      1.49856  45.2043      1.45553  6.57404  0.113976  6.71995  0.108299  
1 1 1 39 20 5  o 4.67567  0.0800782 21.8749      0.748839 21.5644      1.07254  22.1702      1.046    4.64088  0.115553  4.70584  0.111138  
1 1 1 39 20 6  o 4.95647  0.0833047 24.5836      0.825795 25.2986      1.22005  23.979       1.12182  5.02613  0.121371  4.89367  0.11462   
1 1 1 39 20 7  o 5.23689  0.0763956 27.4418      0.800151 27.1241      1.12524  27.7668      1.13804  5.20492  0.108094  5.26622  0.108051  
1 1 1 39 20 8  o 8.65413  0.0832895 74.9505      1.4416   75.7928      2.08556  74.1798      1.99491  8.69912  0.119872  8.60649  0.115896  
1 1 1 39 20 9  o 5.84981  0.0760832 34.2429      0.890145 34.4336      1.26914  34.0581      1.24881  5.8641   0.108213  5.83212  0.107063  
1 1 1 39 20 10 o 5.27566  0.0787389 27.8537      0.8308   27.7999      1.18253  27.9062      1.16747  5.26849  0.112227  5.27867  0.110584  
1 1 1 39 20 11 o 4.17716  0.084903  17.4655      0.709307 18.2097      1.02052  16.7699      0.986561 4.26321  0.11969   4.09114  0.120573  
1 1 1 39 20 12 f 3.90496  0.0932768 15.2676      0.728484 15.7369      1.01267  14.7644      1.04874  3.96234  0.127787  3.83731  0.13665   
1 1 1 39 20 13 o 2.00348  0.151511  4.02803      0.607102 4.06691      0.854513 3.98841      0.862689 2.00965  0.212603  1.98989  0.216768  
1 1 1 39 20 14 o 1.83483  0.128216  3.37592      0.470509 4.15961      0.79379  2.95145      0.584196 2.03295  0.195231  1.71376  0.170443  
1 1 1 39 20 15 o 2.31241  0.115775  5.36052      0.535441 5.05823      0.777925 5.63265      0.738098 2.2428   0.173427  2.36799  0.155849  
1 1 1 39 20 16 o 2.2941   0.124091  5.2792       0.569353 5.39931      0.81029  5.16207      0.800178 2.31655  0.174891  2.26494  0.176644  
1 1 1 39 20 17 o 3.94709  0.089906  15.6067      0.709735 16.0514      0.955198 15.0587      1.06047  4.00031  0.11939   3.87278  0.136913  
1 1 1 39 20 18 o 1.72527  0.181085  3.0001       0.624839 3.01972      0.857588 2.97789      0.912254 1.72493  0.248586  1.71106  0.266576  
1 1 1 39 20 19 o 2.26454  0.138777  5.1554       0.628532 5.49932      0.86836  4.77694      0.910923 2.33405  0.18602   2.17261  0.209638  
1 1 1 39 20 20 o 0.916483 0.299283  0.835832     0.630206 -0.0414566   0.857623 1.86558      0.929162 0.740505 0.319032  1.31829  0.347469  
1 1 1 39 20 21 o 4.53167  0.0923321 20.5943      0.836837 19.3419      1.18652  21.8338      1.18044  4.38445  0.13531   4.6601   0.126654  
1 1 1 39 20 22 o 1.47583  0.232008  2.22019      0.684806 2.58969      0.952556 1.82494      0.985193 1.55512  0.317249  1.30012  0.364377  
1 1 1 39 20 23 o 3.11639  0.129258  9.77451      0.805634 8.93331      1.12229  10.6688      1.15718  2.96843  0.189039  3.24644  0.178224  
1 1 1 39 20 24 o 3.06582  0.121101  9.45655      0.742549 9.94326      1.02873  8.92716      1.0729   3.13563  0.164039  2.96754  0.180773  
1 1 1 39 20 25 f 2.15855  0.17261   4.72936      0.745174 4.95436      1.01312  4.46417      1.09989  2.19664  0.230606  2.07653  0.26484   
1 1 1 39 20 26 o 1.47245  0.262884  2.31448      0.746283 3.30352      1.00802  1.11483      1.11017  1.77706  0.28362   1.08171  0.394539  
1 1 1 39 20 27 o 0.675983 0.292482  -0.0258249   0.726705 0.801593     1.00002  -0.95169     1.05784  0.972445 0.370386  0.666127 0.312455  
1 1 1 39 20 28 o 1.88023  0.210727  3.64612      0.792431 3.9109       1.07601  3.33231      1.17139  1.92531  0.279438  1.72655  0.351428  
1 1 1 39 20 29 o 0.777271 0.31934   0.301465     0.796558 0.835657     1.10657  -0.273034    1.14756  0.995181 0.38699   0.789886 0.353221  
1 1 1 39 20 30 o 1.38808  0.308031  2.15582      0.832595 1.11977      1.11887  3.44143      1.24636  1.06013  0.394682  1.72759  0.371386  
1 1 1 39 20 31 o 2.38481  0.188484  5.8974       0.898996 6.50214      1.22388  5.18875      1.32486  2.47276  0.247472  2.1759   0.304439  
1 1 1 39 20 32 o 1.15789  0.346982  1.58289      0.866345 0.972925     1.20522  2.23504      1.2462   1.00999  0.400843  1.33464  0.419493  
1 1 1 39 20 33 o 1.74456  0.255878  3.32799      0.892788 3.84524      1.22296  2.7378       1.30634  1.78878  0.354447  1.44765  0.424152  
1 1 1 39 20 34 o 0.657316 0.299518  -0.247178    0.874294 -0.0204007   1.18013  -0.523069    1.30166  0.784957 0.354301  0.750753 0.35092   
1 1 1 39 20 35 o 1.76488  0.246452  3.5017       0.869914 3.76446      1.26952  3.26911      1.1944   1.68077  0.385636  1.56202  0.384422  
1 1 1 39 20 36 o 1.29662  0.354677  2.33335      0.946024 0.026583     1.38451  4.35355      1.29566  0.788249 0.365908  1.76519  0.377957  
1 1 1 39 20 37 o 1.16729  0.37421   2.11883      0.987556 1.46398      1.42364  2.72622      1.37107  0.953576 0.410938  1.21601  0.438952  
1 1 1 39 20 38 f 0.752668 0.329277  0.66574      0.941215 1.0564       1.36613  0.312746     1.29859  0.834832 0.378771  0.738211 0.346252  
1 1 1 39 20 39 o 0.610852 0.293263  -0.106059    1.03537  1.10254      1.50912  -1.18085     1.42314  0.761166 0.362583  0.587183 0.293233  
1 1 1 39 21 0  o 6.04037  0.104727  36.5375      1.26432  36.5375      1.26432  36.5375      1.26432  6.0425   0.0740018 ?        ?         
1 1 1 39 21 1  o 10.6875  0.0863621 114.302      1.84599  113.396      2.67373  115.127      2.55178  10.641   0.125634  10.7227  0.11899   
1 1 1 39 21 2  o 10.6909  0.0878838 114.379      1.87911  113.648      2.72965  115.037      2.59073  10.6524  0.128124  10.7182  0.120857  
1 1 1 39 21 3  o 7.06763  0.0710031 49.976       1.00365  51.5934      1.48574  48.6185      1.36117  7.17912  0.103477  6.96946  0.0976524 
1 1 1 39 21 4  o 8.67099  0.085123  75.2419      1.4762   72.4734      2.08549  78.0221      2.08985  8.50665  0.12258   8.82674  0.118382  
1 1 1 39 21 5  o 4.56449  0.0807678 20.8488      0.737327 20.2677      1.06978  21.3746      1.01765  4.49865  0.1189    4.62036  0.110127  
1 1 1 39 21 6  o 4.6716   0.0820407 21.8397      0.766523 22.1526      1.12312  21.5669      1.04875  4.70305  0.119403  4.64083  0.112992  
1 1 1 39 21 7  o 9.23181  0.0815153 85.2895      1.50507  86.2434      2.16577  84.3986      2.09306  9.27968  0.116694  9.18021  0.113999  
1 1 1 39 21 8  o 4.71791  0.0800006 22.2753      0.75487  21.65        1.05768  22.9245      1.0777   4.64942  0.113743  4.78439  0.112626  
1 1 1 39 21 9  o 12.9686  0.108057  168.431      2.80271  169.115      4.08908  167.824      3.84906  12.9842  0.157463  12.9367  0.148765  
1 1 1 39 21 10 o 5.73531  0.0779536 32.9209      0.894176 32.4593      1.23299  33.4329      1.29868  5.69278  0.108294  5.77717  0.112397  
1 1 1 39 21 11 o 1.38498  0.213686  1.93071      0.5919   2.48716      0.846924 1.39942      0.827558 1.5441   0.284947  1.16131  0.336739  
1 1 1 39 21 12 o 3.10286  0.108246  9.64495      0.671742 8.4918       0.921625 10.9518      0.981138 2.90844  0.15844   3.30374  0.148489  
1 1 1 39 21 13 o 6.26157  0.079853  39.249       1.00001  39.9211      1.3941   38.5366      1.43525  6.31184  0.110435  6.2008   0.115731  
1 1 1 39 21 14 o 1.30325  0.214444  1.71273      0.558947 1.51397      0.77254  1.93109      0.809711 1.19802  0.317322  1.35183  0.306494  
1 1 1 39 21 15 o 2.56293  0.102688  6.58236      0.526365 6.71722      0.76956  6.46381      0.721543 2.58609  0.148788  2.53732  0.142186  
1 1 1 39 21 16 o 6.04019  0.0789058 36.5319      0.953212 35.4835      1.30675  37.7241      1.39353  5.9493   0.109824  6.13371  0.113596  
1 1 1 39 21 17 o 3.0292   0.105061  9.19965      0.636504 10.1713      0.887479 8.17044      0.913385 3.18206  0.13945   2.8499   0.160249  
1 1 1 39 21 18 o 3.06038  0.106326  9.39393      0.6508   10.2095      0.910003 8.5401       0.9311   3.18672  0.142781  2.9126   0.15984   
1 1 1 39 21 19 f 7.20661  0.0843382 52.0428      1.21559  51.7975      1.67916  52.3129      1.76203  7.18288  0.116886  7.21724  0.122071  
1 1 1 39 21 20 o 1.4822   0.213734  2.2288       0.633592 1.85084      0.912507 2.58064      0.880424 1.31171  0.343699  1.56147  0.292732  
1 1 1 39 21 21 o 2.17439  0.156779  4.76983      0.681799 4.77649      0.930492 4.76212      1.00188  2.16752  0.214645  2.16131  0.231776  
1 1 1 39 21 22 o 4.45251  0.0995618 19.8963      0.886599 19.4192      1.27805  20.3389      1.23096  4.38968  0.145574  4.49443  0.136943  
1 1 1 39 21 23 o 2.65991  0.141397  7.13157      0.752205 7.22005      1.06178  7.04242      1.06579  2.66587  0.199142  2.63218  0.202454  
1 1 1 39 21 24 o 3.34718  0.116277  11.2768      0.778403 10.5529      1.1008   12.0008      1.10085  3.22604  0.170612  3.44314  0.159862  
1 1 1 39 21 25 o 0.705968 0.298952  0.0842005    0.730628 -0.977196    1.01496  1.22578      1.0526   0.648138 0.304384  1.10547  0.386018  
1 1 1 39 21 26 o 0.617597 0.277717  -0.289151    0.718334 -0.320452    0.99934  -0.255689    1.03326  0.735229 0.329179  0.759395 0.337497  
1 1 1 39 21 27 o 1.36566  0.28279   2.02573      0.746318 1.96725      1.05465  2.08439      1.05625  1.32148  0.379163  1.35898  0.376116  
1 1 1 39 21 28 o 3.31413  0.130592  11.1234      0.865599 12.1532      1.18265  9.93529      1.27033  3.44857  0.17147   3.10397  0.20463   
1 1 1 39 21 29 o 0.681156 0.300543  -0.129539    0.799665 -0.306865    1.07315  0.0918482    1.19909  0.756968 0.339959  0.866168 0.375249  
1 1 1 39 21 30 o 2.20018  0.192906  5.00102      0.848855 3.99463      1.12608  6.32552      1.29185  1.9266   0.292246  2.43993  0.264731  
1 1 1 39 21 31 o 1.02179  0.344139  1.16675      0.833267 1.91669      1.1712   0.398036     1.18577  1.25768  0.407957  0.894811 0.379979  
1 1 1 39 21 32 o 1.47171  0.303614  2.48452      0.863156 2.40879      1.20044  2.56559      1.242    1.3852   0.406831  1.42532  0.412283  
1 1 1 39 21 33 o 1.32228  0.333074  2.11697      0.881004 2.08402      1.18696  2.15739      1.31466  1.264    0.410733  1.27272  0.432263  
1 1 1 39 21 34 o 0.8416   0.339955  0.658589     0.885836 1.70757      1.21289  -0.540639    1.29685  1.13049  0.412382  0.744216 0.34852   
1 1 1 39 21 35 o 0.759252 0.327425  0.35981      0.905007 1.17041      1.35815  -0.287579    1.21374  0.978714 0.410677  0.733314 0.34125   
1 1 1 39 21 36 o 1.29552  0.350776  2.33264      0.931171 2.07133      1.29591  2.61157      1.33889  1.12659  0.4237    1.24939  0.435447  
1 1 1 39 21 37 o 0.754544 0.332437  0.575359     0.973533 -0.474622    1.43195  1.47779      1.32753  0.697662 0.337222  0.926238 0.397941  
1 1 1 39 21 38 o 1.031    0.365935  1.81478      0.949315 1.73005      1.39609  1.88765      1.2947   0.933803 0.404732  0.973972 0.404345  
1 1 1 39 22 0  o 1.80323  0.214768  3.3953       0.749659 3.3953       0.749659 3.3953       0.749659 1.82395  0.147534  ?        ?         
1 1 1 39 22 1  o 5.47314  0.0729281 29.972       0.798292 27.9421      1.13028  31.9924      1.12763  5.28288  0.106976  5.65325  0.099733  
1 1 1 39 22 2  o 4.43638  0.0731312 19.6926      0.648876 19.3206      0.888196 20.1184      0.950242 4.39316  0.101088  4.4827   0.10599   
1 1 1 39 22 3  o 2.80463  0.0791248 7.87123      0.443831 7.67378      0.594507 8.11985      0.66709  2.76845  0.107372  2.84745  0.117138  
1 1 1 39 22 4  o 4.84199  0.0846971 23.4632      0.820205 24.1141      1.22493  22.9342      1.10431  4.90644  0.124829  4.78549  0.115381  
1 1 1 39 22 5  f 8.05191  0.0812307 64.8811      1.30812  64.3917      1.83691  65.3845      1.8633   8.01855  0.114541  8.08005  0.115303  
1 1 1 39 22 6  o 5.70615  0.0761732 32.582       0.869311 32.4688      1.20704  32.7039      1.25303  5.69443  0.105984  5.71475  0.109631  
1 1 1 39 22 7  o 4.34533  0.08454   18.8983      0.734708 18.6825      1.03287  19.1193      1.04531  4.31856  0.119585  4.36875  0.119635  
1 1 1 39 22 8  o 7.10272  0.081637  50.4922      1.15969  50.2143      1.70732  50.7303      1.58015  7.07953  0.120582  7.11684  0.111015  
1 1 1 39 22 9  o 6.63056  0.0791288 44.0023      1.04934  43.2916      1.47891  44.7228      1.48911  6.5739   0.112484  6.68178  0.111431  
1 1 1 39 22 10 o 4.17071  0.0851077 17.4131      0.709919 16.7263      1.01199  18.0785      0.996151 4.08521  0.12386   4.24763  0.11726   
1 1 1 39 22 11 o 6.81874  0.0799457 46.5409      1.09026  46.2222      1.53665  46.8639      1.54712  6.79193  0.113123  6.83892  0.113111  
1 1 1 39 22 12 o 3.55276  0.0917684 12.6398      0.652062 12.8279      0.887895 12.4196      0.960712 3.57697  0.124113  3.51863  0.136518  
1 1 1 39 22 13 o 2.99478  0.100021  8.98499      0.59908  8.48426      0.827857 9.53549      0.868025 2.90741  0.14237   3.08239  0.140804  
1 1 1 39 22 14 o 2.75906  0.111591  7.63115      0.615776 8.36382      0.845356 6.80297      0.898773 2.88594  0.146461  2.60061  0.1728    
1 1 1 39 22 15 o 3.05992  0.0867304 9.37781      0.530776 8.87234      0.767494 9.84117      0.734832 2.97352  0.129055  3.1326   0.117288  
1 1 1 39 22 16 o 5.72005  0.0809696 32.7677      0.9263   33.5434      1.31592  32.0059      1.30413  5.78319  0.113771  5.64885  0.115433  
1 1 1 39 22 17 o 2.20434  0.135225  4.88174      0.596163 5.37805      0.84952  4.40015      0.836826 2.30917  0.183945  2.08704  0.200481  
1 1 1 39 22 18 o 1.44953  0.203452  2.1258       0.589818 1.50754      0.796804 2.87519      0.877242 1.19065  0.325423  1.67959  0.261147  
1 1 1 39 22 19 o 2.81002  0.120275  7.93139      0.675951 8.01381      0.972509 7.85436      0.940188 2.81794  0.172557  2.79036  0.168471  
1 1 1 39 22 20 o 0.744628 0.285769  0.394782     0.598999 -0.0662214   0.836089 0.880924     0.858583 0.724399 0.31358   0.97897  0.347955  
1 1 1 39 22 21 o 0.84188  0.305155  0.616801     0.663224 1.01417      0.945516 0.231919     0.930545 1.03693  0.365488  0.827011 0.343032  
1 1 1 39 22 22 o 2.24232  0.164414  5.08119      0.737339 4.39762      1.02402  5.81716      1.06255  2.07243  0.247059  2.38886  0.222398  
1 1 1 39 22 23 o 3.54614  0.114842  12.6452      0.814488 12.5525      1.15868  12.7357      1.14516  3.5227   0.164459  3.54908  0.161332  
1 1 1 39 22 24 o 2.83636  0.137816  8.12203      0.781793 8.28602      1.11344  7.96256      1.09797  2.8513   0.195251  2.79477  0.196432  
1 1 1 39 22 25 o 1.77297  0.225511  3.2345       0.799646 4.20398      1.16151  2.36098      1.10253  2.00273  0.289982  1.45176  0.376593  
1 1 1 39 22 26 o 2.09612  0.178882  4.47993      0.749917 4.26197      1.04454  4.71179      1.07731  2.02321  0.258139  2.12895  0.253013  
1 1 1 39 22 27 o 1.55461  0.242385  2.51543      0.753627 2.61798      1.05     2.40647      1.08231  1.52736  0.350902  1.45623  0.370589  
1 1 1 39 22 28 o 1.58687  0.251555  2.63902      0.798371 3.04909      1.10055  2.18351      1.15992  1.64778  0.345064  1.37524  0.398631  
1 1 1 39 22 29 o 1.74396  0.238341  3.19086      0.831315 3.68405      1.15646  2.66351      1.19584  1.81411  0.33102   1.50688  0.392817  
1 1 1 39 22 30 o 0.54393  0.260382  -0.965563    0.801565 -1.28221     1.11351  -0.625006    1.15479  0.638424 0.305924  0.730952 0.337336  
1 1 1 39 22 31 o 1.75939  0.240341  3.31126      0.845707 3.10154      1.15773  3.5512       1.23836  1.61073  0.36738   1.72444  0.369744  
1 1 1 39 22 32 o 2.11974  0.210689  4.76365      0.893211 4.14965      1.27376  5.35769      1.25288  1.86593  0.354138  2.19625  0.285232  
1 1 1 39 22 33 o 1.49212  0.323591  2.68291      0.938518 1.75626      1.30756  3.66759      1.34789  1.15713  0.427489  1.67014  0.40674   
1 1 1 39 22 34 o 2.87499  0.172768  8.74236      0.993414 9.3468       1.37184  8.07594      1.44048  2.90485  0.236129  2.65971  0.270796  
1 1 1 39 22 35 o 1.0327   0.364976  1.47897      0.943437 1.90071      1.40231  1.13023      1.27518  1.10123  0.43385   0.949414 0.398138  
1 1 1 39 22 36 o 0.916392 0.357311  1.14473      0.944658 -0.187537    1.30332  2.61928      1.37115  0.737444 0.346071  1.22943  0.439443  
1 1 1 39 22 37 o 0.732954 0.323643  0.540649     0.929714 1.35936      1.36387  -0.17002     1.2707   0.88685  0.391744  0.68897  0.32934   
1 1 1 39 22 38 o 0.610602 0.28957   -0.167172    0.953071 0.828817     1.34731  -1.16475     1.34838  0.776694 0.360704  0.600448 0.297743  
1 1 1 39 23 0  o 14.9371  0.156676  223.497      4.6794   223.497      4.6794   223.497      4.6794   14.9434  0.110726  ?        ?         
1 1 1 39 23 1  o 2.91094  0.0956798 8.48231      0.557037 7.3482       0.797225 9.56416      0.778642 2.70745  0.147228  3.08983  0.126001  
1 1 1 39 23 2  o 13.2987  0.104095  177.073      2.76865  182.003      4.16939  173.184      3.7029   13.4725  0.154737  13.1451  0.140847  
1 1 1 39 23 3  f 4.9057   0.0673676 24.0784      0.660971 23.5854      0.948916 24.5431      0.921207 4.8538   0.0977498 4.95162  0.0930207 
1 1 1 39 23 4  o 5.93875  0.0787819 35.2946      0.935732 36.3451      1.39149  34.4274      1.26428  6.02392  0.115497  5.86344  0.107811  
1 1 1 39 23 5  o 2.2327   0.130608  4.9954       0.583216 5.20774      0.85959  4.81427      0.793904 2.27706  0.18875   2.18972  0.18128   
1 1 1 39 23 6  o 3.48133  0.0942884 12.1335      0.656499 11.7235      0.921935 12.5552      0.935063 3.41997  0.134787  3.53937  0.132095  
1 1 1 39 23 7  o 3.56799  0.0925352 12.7453      0.660328 11.6595      0.933151 13.8344      0.934541 3.41027  0.136815  3.71548  0.125763  
1 1 1 39 23 8  o 8.36875  0.0840073 70.1057      1.40607  69.9578      2.09269  70.2275      1.89844  8.3548   0.125239  8.37256  0.113373  
1 1 1 39 23 9  o 3.31137  0.0961159 10.9801      0.636551 12.0194      0.961149 10.1682      0.84958  3.46194  0.138817  3.18454  0.133391  
1 1 1 39 23 10 o 8.29555  0.0845328 68.893       1.40249  71.9698      2.06523  66.2596      1.91063  8.47356  0.121863  8.13113  0.117488  
1 1 1 39 23 11 o 1.98835  0.144719  3.96752      0.575503 4.23798      0.766522 3.6181       0.87127  2.05256  0.186724  1.89362  0.230054  
1 1 1 39 23 12 o 1.89033  0.146808  3.58739      0.555031 3.1711       0.762429 4.05673      0.809552 1.77328  0.214977  2.00668  0.201714  
1 1 1 39 23 13 o 4.86855  0.0798717 23.7326      0.777719 23.4556      1.0459   24.0752      1.16314  4.83754  0.108102  4.89987  0.118691  
1 1 1 39 23 14 o 1.85641  0.16062   3.46471      0.596353 2.50144      0.787963 4.75623      0.912394 1.57145  0.250713  2.17102  0.21013   
1 1 1 39 23 15 o 6.52295  0.0838044 42.6157      1.0933   42.5184      1.53749  42.7153      1.55499  6.51051  0.118078  6.52538  0.119149  
1 1 1 39 23 16 o 6.46628  0.0778764 41.8756      1.00714  41.5419      1.38992  42.2446      1.46139  6.43602  0.10798   6.48941  0.112598  
1 1 1 39 23 17 o 1.6779   0.165357  2.83676      0.554904 2.48001      0.792499 3.17991      0.777229 1.561    0.253844  1.77151  0.219368  
1 1 1 39 23 18 o 5.66629  0.0811215 32.1703      0.919315 31.1543      1.2437   33.394       1.36496  5.57123  0.111618  5.76668  0.118349  
1 1 1 39 23 19 o 1.08517  0.273118  1.25294      0.59275  1.34858      0.834843 1.15571      0.841751 1.13222  0.340883  1.06603  0.345859  
1 1 1 39 23 20 o 2.70357  0.123722  7.34964      0.668985 6.6          0.976143 8.01358      0.918647 2.55218  0.191237  2.81728  0.163038  
1 1 1 39 23 21 o 2.46688  0.144499  6.13281      0.712926 3.73704      1.06188  8.09893      0.961965 1.90563  0.278618  2.83059  0.169923  
1 1 1 39 23 22 o 2.67522  0.140472  7.21339      0.751584 6.63442      1.01181  7.92612      1.12261  2.55558  0.19796   2.79263  0.200995  
1 1 1 39 23 23 o 2.95592  0.123652  8.8037       0.731009 9.43236      1.05766  8.22873      1.01149  3.04874  0.173459  2.84657  0.177668  
1 1 1 39 23 24 o 4.29236  0.105535  18.5336      0.905985 18.0561      1.25694  19.05        1.30704  4.22435  0.148773  4.33842  0.150636  
1 1 1 39 23 25 o 2.60723  0.149846  6.88748      0.781365 7.02532      1.08551  6.73927      1.12561  2.61759  0.207349  2.55982  0.219862  
1 1 1 39 23 26 o 1.78683  0.20848   3.28249      0.745038 3.55463      1.04234  2.9982       1.06533  1.8379   0.283567  1.64744  0.334971  
1 1 1 39 23 27 f 2.61446  0.153877  6.95609      0.804609 6.11115      1.1171   7.86701      1.15989  2.42473  0.230354  2.75991  0.210131  
1 1 1 39 23 28 o 1.53498  0.274706  2.55641      0.812854 2.29595      1.09707  2.87344      1.21036  1.41277  0.379947  1.5781   0.386121  
1 1 1 39 23 29 o 3.46379  0.131044  12.1797      0.907816 13.5252      1.28118  10.8228      1.28653  3.62801  0.176568  3.23373  0.198923  
1 1 1 39 23 30 o 1.04248  0.338996  1.22563      0.808551 1.0855       1.11591  1.38052      1.17317  1.0332   0.39192   1.11504  0.405688  
1 1 1 39 23 31 o 1.22619  0.337549  1.77734      0.853531 2.65547      1.21393  0.918758     1.20034  1.45947  0.4029    0.995508 0.398368  
1 1 1 39 23 32 o 3.32404  0.14794   11.4079      0.983519 10.3739      1.37748  12.4832      1.40474  3.11027  0.22144   3.42858  0.204857  
1 1 1 39 23 33 o 0.764205 0.325416  0.32847      0.873958 1.09443      1.2312   -0.449451    1.24078  0.991449 0.400661  0.741895 0.345161  
1 1 1 39 23 34 o 0.9889   0.349287  1.23932      0.863954 0.487953     1.2096   2.02181      1.23441  0.853986 0.373445  1.18419  0.417585  
1 1 1 39 23 35 o 1.22463  0.366867  2.14737      0.968591 3.40876      1.4013   0.993353     1.34033  1.44562  0.442934  0.915467 0.396672  
1 1 1 39 23 36 o 0.658817 0.302327  -0.00539505  0.912157 -0.226531    1.32276  0.195107     1.25953  0.718325 0.340884  0.755753 0.350123  
1 1 1 39 23 37 o 0.892844 0.355611  1.30792      0.951669 1.30652      1.34947  1.3093       1.34229  0.870845 0.386529  0.871539 0.386336  
1 1 1 39 23 38 o 0.680681 0.312919  0.506795     0.982049 0.550623     1.38545  0.462537     1.39223  0.707608 0.339598  0.699693 0.336922  
1 1 1 39 24 0  o 0.578184 0.350769  0.337641     0.736333 0.337641     0.736333 0.337641     0.736333 0.522357 0.305102  ?        ?         
1 1 1 39 24 1  o 6.53867  0.0737886 42.783       0.964958 42.3832      1.31978  43.2423      1.41445  6.50608  0.101427  6.57116  0.107625  
1 1 1 39 24 2  o 4.59863  0.0710848 21.1608      0.653785 21.9582      0.921497 20.3525      0.927718 4.68311  0.0983851 4.50838  0.102888  
1 1 1 39 24 3  o 10.7267  0.0870304 115.173      1.8671   115.106      2.66963  115.238      2.61225  10.7181  0.124539  10.7247  0.121787  
1 1 1 39 24 4  o 6.29822  0.0754529 39.6974      0.950439 39.4726      1.35313  39.9164      1.3353   6.27791  0.107769  6.31328  0.105753  
1 1 1 39 24 5  o 5.06325  0.0758769 25.6567      0.768368 25.466       1.09981  25.8386      1.07392  5.04229  0.109059  5.07929  0.105716  
1 1 1 39 24 6  o 6.19175  0.0753806 38.3684      0.933475 37.6012      1.2794   39.2416      1.36502  6.12728  0.104402  6.25906  0.109044  
1 1 1 39 24 7  o 3.16401  0.0945234 10.024       0.598146 10.0335      0.858788 10.0149      0.833586 3.16331  0.135742  3.16061  0.131871  
1 1 1 39 24 8  o 2.82743  0.103533  8.00731      0.585464 7.41364      0.837619 8.5744       0.818649 2.71786  0.154095  2.92382  0.139996  
1 1 1 39 24 9  o 7.86215  0.0777051 61.8734      1.22186  61.5005      1.73143  62.2434      1.72453  7.83447  0.110501  7.8818   0.109399  
1 1 1 39 24 10 o 6.1043   0.0774698 37.3011      0.945798 37.8157      1.34288  36.7945      1.3323   6.14308  0.1093    6.05949  0.109935  
1 1 1 39 24 11 o 0.791372 0.277786  0.56175      0.54569  1.49999      0.730944 -0.619583    0.820188 1.19186  0.305287  0.620373 0.285521  
1 1 1 39 24 12 o 4.74541  0.0826809 22.5493      0.784709 21.6943      1.07613  23.5203      1.14672  4.65158  0.115674  4.84308  0.118387  
1 1 1 39 24 13 o 1.61114  0.182255  2.61364      0.587278 2.48496      0.783659 2.77848      0.886975 1.56631  0.25016   1.65468  0.26802   
1 1 1 39 24 14 o 3.07094  0.102207  9.45257      0.627743 9.54098      0.87467  9.35867      0.90146  3.082    0.1419    3.05185  0.147691  
1 1 1 39 24 15 o 3.62476  0.0943229 13.1674      0.683795 12.1622      0.916749 14.4279      1.02662  3.48009  0.131714  3.78995  0.135439  
1 1 1 39 24 16 o 7.95517  0.08452   63.4087      1.34474  63.9637      1.90438  62.8567      1.89914  7.98232  0.119287  7.91276  0.120005  
1 1 1 39 24 17 o 1.56817  0.173756  2.48103      0.544956 3.27033      0.791314 1.76899      0.751588 1.79569  0.220338  1.28875  0.29742   
1 1 1 39 24 18 o 2.35712  0.130544  5.58619      0.615415 5.10108      0.848559 6.12449      0.893864 2.24566  0.188933  2.46171  0.181553  
1 1 1 39 24 19 o 3.63632  0.0964672 13.2668      0.701571 13.9331      0.976095 12.5547      1.00907  3.72122  0.131152  3.53033  0.142914  
1 1 1 39 24 20 o 4.41426  0.0931637 19.5461      0.822497 18.5207      1.18601  20.4963      1.14164  4.28878  0.138268  4.51426  0.126448  
1 1 1 39 24 21 o 1.03662  0.308212  1.13307      0.685373 1.50652      1.01705  0.82239      0.927633 1.19596  0.379391  0.975178 0.360106  
1 1 1 39 24 22 o 3.34985  0.112081  11.2837      0.750911 10.9778      1.02901  11.6322      1.09826  3.29552  0.156123  3.39095  0.16194   
1 1 1 39 24 23 o 1.11483  0.307239  1.34423      0.706643 1.98988      0.991283 0.67714      1.0076   1.3431   0.361144  0.949684 0.369284  
1 1 1 39 24 24 o 3.26747  0.130809  10.7809      0.85483  10.347       1.20596  11.2191      1.21189  3.18404  0.189376  3.31785  0.182631  
1 1 1 39 24 25 o 2.61795  0.14967   6.94804      0.78366  7.06518      1.09838  6.82658      1.11842  2.62264  0.209403  2.57541  0.217134  
1 1 1 39 24 26 o 0.763695 0.310357  0.313378     0.744196 0.549857     1.04369  0.0687853    1.06144  0.917467 0.369663  0.822546 0.354656  
1 1 1 39 24 27 o 1.85874  0.210362  3.57069      0.782016 3.72423      1.09849  3.41291      1.11354  1.86963  0.293772  1.75398  0.329561  
1 1 1 39 24 28 o 1.79029  0.238169  3.3594       0.852782 4.40772      1.16568  2.15231      1.25085  2.02985  0.287135  1.35322  0.419269  
1 1 1 39 24 29 o 1.41406  0.298728  2.23878      0.818692 2.78913      1.16908  1.70915      1.14685  1.53802  0.381439  1.21488  0.403734  
1 1 1 39 24 30 o 1.14718  0.336443  1.53581      0.821547 1.59192      1.18857  1.48448      1.13684  1.16321  0.409803  1.13215  0.40059   
1 1 1 39 24 31 o 1.12392  0.330118  1.48843      0.790375 3.28743      1.10886  -0.369529    1.12688  1.66608  0.344472  0.741839 0.338585  
1 1 1 39 24 32 o 1.24458  0.336214  1.89449      0.856676 2.33275      1.18491  1.41451      1.24002  1.3293   0.407303  1.08134  0.412273  
1 1 1 39 24 33 o 1.43416  0.318714  2.51488      0.89018  2.43152      1.27712  2.59365      1.24145  1.31291  0.426019  1.36547  0.41661   
1 1 1 39 24 34 o 1.00397  0.36547   1.34791      0.952202 0.768866     1.28479  2.05358      1.41833  0.896295 0.388366  1.14698  0.439864  
1 1 1 39 24 35 o 0.686439 0.311695  0.031707     0.928805 0.981556     1.26333  -1.08568     1.37023  0.902417 0.38797   0.670164 0.325227  
1 1 1 39 24 36 o 0.809676 0.343944  0.872203     0.972124 0.570544     1.37289  1.17554      1.3767   0.793946 0.366944  0.8743   0.389033  
1 1 1 39 24 37 o 0.495567 0.245907  -1.36122     0.924803 -1.0172      1.30656  -1.70662     1.30918  0.617058 0.303957  0.572002 0.285027  
1 1 1 39 25 0  o 12.6299  0.13728   159.777      3.46673  159.777      3.46673  159.777      3.46673  12.6351  0.0970186 ?        ?         
1 1 1 39 25 1  o 8.73478  0.0768986 76.3585      1.34338  75.7255      1.88183  77.0164      1.91837  8.69502  0.108213  8.76866  0.109388  
1 1 1 39 25 2  o 4.73717  0.0721368 22.457       0.683449 22.7756      0.940511 22.1005      0.994863 4.76915  0.0986035 4.69745  0.105894  
1 1 1 39 25 3  o 7.09045  0.0772047 50.3167      1.09483  50.2534      1.53582  50.3821      1.56114  7.08309  0.108414  7.09197  0.110064  
1 1 1 39 25 4  o 5.03347  0.0826954 25.3606      0.832489 25.2162      1.18673  25.5005      1.16812  5.01652  0.118282  5.04494  0.115772  
1 1 1 39 25 5  o 4.18627  0.0841025 17.543       0.704151 17.3065      0.983676 17.7916      1.00843  4.15581  0.118349  4.21355  0.119665  
1 1 1 39 25 6  f 2.63208  0.113318  6.94127      0.596524 6.89563      0.831473 6.98966      0.8563   2.62092  0.158622  2.6385   0.16227   
1 1 1 39 25 7  o 2.33456  0.123898  5.46339      0.578495 6.17957      0.814745 4.73523      0.821528 2.48054  0.164227  2.16986  0.189304  
1 1 1 39 25 8  o 1.60025  0.175249  2.57392      0.560885 2.8487       0.786748 2.28992      0.799837 1.68008  0.23414   1.47996  0.280403  
1 1 1 39 25 9  o 1.71088  0.167657  2.94169      0.573683 3.70094      0.807895 2.16947      0.814769 1.91622  0.210805  1.43652  0.293734  
1 1 1 39 25 10 o 2.5027   0.116399  6.27944      0.582625 6.98495      0.798125 5.47458      0.852469 2.63724  0.151318  2.33247  0.182739  
1 1 1 39 25 11 o 0.936349 0.27488   0.905195     0.54814  1.59089      0.731671 0.0280744    0.827524 1.22622  0.300323  0.746461 0.31722   
1 1 1 39 25 12 o 3.24248  0.095627  10.5337      0.620138 10.7059      0.86705  10.3533      0.887315 3.26605  0.132737  3.21132  0.138154  
1 1 1 39 25 13 o 8.3576   0.0897769 69.9744      1.50064  69.2554      2.13914  70.6712      2.1057   8.30678  0.128759  8.39203  0.125458  
1 1 1 39 25 14 o 3.15104  0.0983609 9.95232      0.619877 10.2499      0.863226 9.63546      0.890697 3.1945   0.135111  3.09636  0.14383   
1 1 1 39 25 15 o 5.74616  0.0861336 33.0845      0.989876 35.395       1.46711  31.1538      1.34115  5.93724  0.123552  5.57076  0.120374  
1 1 1 39 25 16 o 3.55189  0.0980222 12.6512      0.696329 11.6323      0.950337 13.8324      1.02321  3.40103  0.139713  3.70902  0.137936  
1 1 1 39 25 17 f 3.5541   0.0915755 12.6648      0.650937 13.6072      0.930379 11.7611      0.911052 3.67953  0.126426  3.4199   0.133199  
1 1 1 39 25 18 o 2.20981  0.13387   4.91355      0.591656 4.44741      0.827914 5.40008      0.845828 2.09466  0.197625  2.31034  0.183053  
1 1 1 39 25 19 o 2.01469  0.150517  4.09195      0.60649  3.60309      0.841556 4.62022      0.874823 1.88124  0.223671  2.13331  0.205039  
1 1 1 39 25 20 o 0.68617  0.286441  0.120774     0.65532  0.860522     0.982995 -0.470993    0.879194 1.00007  0.370416  0.666564 0.302826  
1 1 1 39 25 21 o 1.05224  0.297981  1.17887      0.655538 1.14818      0.950046 1.20676      0.905687 1.07553  0.367463  1.08716  0.358782  
1 1 1 39 25 22 o 0.848621 0.304488  0.655382     0.658854 -0.0608723   0.920871 1.40654      0.943044 0.754952 0.327982  1.14986  0.365384  
1 1 1 39 25 23 o 0.520535 0.246917  -0.800557    0.69335  -1.36509     0.970315 -0.211573    0.991105 0.58382  0.281162  0.752863 0.333074  
1 1 1 39 25 24 o 2.89445  0.138738  8.47336      0.803141 9.30995      1.08792  7.47131      1.19065  3.02234  0.17998   2.69466  0.220927  
1 1 1 39 25 25 o 3.96447  0.113587  15.8489      0.900625 17.2618      1.33937  14.6827      1.21679  4.11928  0.162573  3.80008  0.160101  
1 1 1 39 25 26 o 1.17632  0.312609  1.53713      0.748201 1.57721      1.05446  1.49649      1.06181  1.19213  0.387129  1.16825  0.388477  
1 1 1 39 25 27 o 3.38452  0.130225  11.6045      0.881499 12.7079      1.22156  10.4056      1.27331  3.52427  0.173307  3.17698  0.200396  
1 1 1 39 25 28 o 1.38709  0.300918  2.14528      0.811345 1.80508      1.11767  2.52426      1.17967  1.2499   0.397838  1.46443  0.394059  
1 1 1 39 25 29 o 1.794    0.230781  3.40246      0.828043 2.99059      1.14769  3.84963      1.19585  1.59228  0.36757   1.83226  0.339088  
1 1 1 39 25 30 o 1.83404  0.230836  3.58558      0.846723 3.56447      1.23633  3.60422      1.16202  1.72485  0.369107  1.75508  0.343287  
1 1 1 39 25 31 o 1.11256  0.33313   1.47737      0.798771 1.55063      1.10531  1.39729      1.15563  1.12719  0.395379  1.08871  0.401951  
1 1 1 39 25 32 o 0.70319  0.308444  0.0865347    0.830382 0.432374     1.12722  -0.323838    1.2279   0.848102 0.365576  0.75658  0.348664  
1 1 1 39 25 33 o 2.59282  0.174497  7.12845      0.904877 6.04669      1.29679  8.15497      1.26325  2.28275  0.284042  2.71328  0.23279   
1 1 1 39 25 34 o 1.0667   0.367559  1.61231      0.951639 0.193046     1.34583  3.03152      1.34581  0.806877 0.368997  1.37778  0.436356  
1 1 1 39 25 35 o 0.736806 0.325962  0.32975      0.949151 0.606737     1.24615  -0.0529769   1.46482  0.82976  0.369644  0.777607 0.365305  
1 1 1 39 25 36 o 0.507268 0.25174   -1.40814     0.970541 -1.48766     1.3774   -1.32974     1.36776  0.601887 0.298861  0.610234 0.301932  
1 1 1 39 25 37 o 0.546189 0.267964  -0.864013    0.997707 0.306745     1.44369  -1.93434     1.38038  0.720556 0.346019  0.557    0.280262  
1 1 1 39 26 0  o 4.08752  0.105219  16.7546      0.858882 16.7546      0.858882 16.7546      0.858882 4.09038  0.074293  ?        ?         
1 1 1 39 26 1  o 3.27056  0.0847969 10.708       0.554667 10.7236      0.775782 10.6916      0.793347 3.27126  0.118576  3.2662   0.121448  
1 1 1 39 26 2  o 4.6602   0.0702057 21.7334      0.654345 21.5565      0.911448 21.9215      0.939979 4.63953  0.0982264 4.67849  0.100458  
1 1 1 39 26 3  o 9.18661  0.0835114 84.4828      1.53437  81.8753      2.16393  87.1194      2.17598  9.03859  0.119705  9.32407  0.116686  
1 1 1 39 26 4  o 4.70294  0.0842879 22.142       0.792801 23.4651      1.20488  21.1318      1.05282  4.8382   0.124517  4.5922   0.114631  
1 1 1 39 26 5  o 1.88682  0.147906  3.57255      0.558144 3.36686      0.81328  3.75569      0.767388 1.8276   0.222499  1.93181  0.198619  
1 1 1 39 26 6  o 3.93697  0.0865925 15.5191      0.681824 14.9219      0.936716 16.192       0.994353 3.85812  0.121395  4.01877  0.123714  
1 1 1 39 26 7  o 4.81643  0.0835342 23.2263      0.804673 24.4318      1.2483   22.3693      1.05254  4.93591  0.126451  4.72447  0.111392  
1 1 1 39 26 8  o 7.19097  0.0799332 51.7705      1.1496   52.3247      1.64941  51.2469      1.60312  7.22495  0.114147  7.15046  0.112099  
1 1 1 39 26 9  o 3.10475  0.0924064 9.65535      0.573798 10.1191      0.803034 9.17156      0.820183 3.17617  0.126415  3.0231   0.135653  
1 1 1 39 26 10 o 5.58179  0.0762002 31.1929      0.850667 31.356       1.17751  31.0148      1.23027  5.59342  0.105259  5.56226  0.110591  
1 1 1 39 26 11 o 4.11004  0.0798    16.9151      0.655963 17.134       0.914042 16.6826      0.941929 4.13406  0.11055   4.07876  0.115467  
1 1 1 39 26 12 o 3.30665  0.09058   10.954       0.599032 10.5242      0.818881 11.4487      0.878583 3.23834  0.126435  3.37723  0.130074  
1 1 1 39 26 13 o 3.83883  0.088106  14.7644      0.676448 13.4587      0.94137  16.1585      0.972684 3.66128  0.128558  4.01261  0.121203  
1 1 1 39 26 14 o 6.84903  0.0848908 47           1.16284  46.1455      1.75883  47.6636      1.54991  6.77786  0.129748  6.89228  0.112438  
1 1 1 39 26 15 o 7.29899  0.0895514 53.3986      1.30727  53.7457      1.88158  53.0747      1.81759  7.31382  0.128632  7.26896  0.125024  
1 1 1 39 26 16 o 2.07244  0.151004  4.32531      0.625894 4.4262       0.854042 4.20825      0.919921 2.09034  0.204283  2.03532  0.22599   
1 1 1 39 26 17 o 3.26995  0.0934273 10.7241      0.611005 11.1517      0.897245 10.3544      0.834363 3.3291   0.134758  3.20858  0.130021  
1 1 1 39 26 18 o 2.33169  0.127436  5.46855      0.594284 5.71052      0.84716  5.23411      0.833887 2.37603  0.178272  2.27401  0.183352  
1 1 1 39 26 19 o 2.00587  0.147909  4.05642      0.593374 4.09008      0.858722 4.02566      0.820872 2.00519  0.214125  1.99056  0.206191  
1 1 1 39 26 20 o 1.64394  0.203647  2.74738      0.669568 2.30445      0.960796 3.1656       0.933612 1.45809  0.336127  1.75436  0.266083  
1 1 1 39 26 21 o 1.47133  0.217903  2.21362      0.641212 1.61483      0.909518 2.80534      0.904127 1.2195   0.352829  1.62098  0.289297  
1 1 1 39 26 22 o 1.67832  0.200778  2.87518      0.67394  3.91933      0.949167 1.81357      0.957071 1.95018  0.243354  1.28413  0.358893  
1 1 1 39 26 23 o 1.28276  0.298564  1.79365      0.752306 2.29058      1.04248  1.25362      1.08674  1.43275  0.363165  1.11431  0.391928  
1 1 1 39 26 24 o 1.5746   0.233665  2.56338      0.735857 1.90288      0.994102 3.36394      1.09444  1.30437  0.366167  1.754    0.324178  
1 1 1 39 26 25 o 3.47509  0.123579  12.2056      0.858899 13.6559      1.26123  10.9514      1.17291  3.65749  0.172417  3.27267  0.179197  
1 1 1 39 26 26 f 0.856027 0.324846  0.621319     0.766896 0.752008     1.06833  0.482382     1.10154  0.966723 0.379356  0.914524 0.375596  
1 1 1 39 26 27 o 1.41282  0.290683  2.20394      0.793222 2.53211      1.11193  1.86386      1.13191  1.4783   0.375278  1.27071  0.399874  
1 1 1 39 26 28 o 1.40784  0.304352  2.22614      0.832675 1.87487      1.17344  2.5824       1.18176  1.26369  0.408193  1.47424  0.393376  
1 1 1 39 26 29 o 2.0043   0.212113  4.22821      0.850276 3.89149      1.21375  4.55268      1.1915   1.83053  0.344184  2.03426  0.292859  
1 1 1 39 26 30 f 1.42913  0.291535  2.32799      0.804431 1.79412      1.13379  2.86917      1.14152  1.20735  0.401428  1.53269  0.374961  
1 1 1 39 26 31 o 0.950577 0.337254  1.02758      0.806259 0.350998     1.07961  1.88075      1.21234  0.833736 0.358555  1.20332  0.414839  
1 1 1 39 26 32 o 1.61727  0.262073  2.95119      0.847686 2.4214       1.18805  3.50062      1.20987  1.32931  0.407952  1.64663  0.375558  
1 1 1 39 26 33 o 1.8743   0.242662  3.98055      0.909643 6.06764      1.33444  2.16894      1.24326  2.24983  0.296565  1.2072   0.419716  
1 1 1 39 26 34 o 0.923771 0.358475  1.14183      0.948478 1.34138      1.30572  0.918906     1.38006  0.973093 0.405151  0.9044   0.397163  
1 1 1 39 26 35 o 0.984794 0.37944   1.62222      1.05872  0.895699     1.40604  2.57346      1.60887  0.847247 0.384341  1.09375  0.452201  
1 1 1 39 26 36 o 0.896804 0.364743  1.3464       1.0287   1.38488      1.47677  1.31013      1.43379  0.882268 0.397382  0.872889 0.392446  
1 1 1 39 26 37 o 0.75552  0.338937  0.978379     1.06414  2.36791      1.50855  -0.397843    1.50131  0.905985 0.405066  0.644005 0.318082  
1 1 1 39 27 0  o 2.70025  0.140653  7.36206      0.754892 7.36206      0.754892 7.36206      0.754892 2.70683  0.0989    ?        ?         
1 1 1 39 27 1  o 7.70633  0.0733964 59.4395      1.13123  58.795       1.58473  60.109       1.61532  7.66107  0.103427  7.7461   0.104267  
1 1 1 39 27 2  o 6.57238  0.0735341 43.2346      0.966588 42.6191      1.37365  43.8381      1.36037  6.52234  0.105304  6.61524  0.102821  
1 1 1 39 27 3  o 8.31241  0.0784148 69.1672      1.30363  68.7656      1.87596  69.5423      1.81288  8.28355  0.113234  8.33088  0.108805  
1 1 1 39 27 4  o 9.92375  0.088258  98.6126      1.7517   99.5768      2.56274  97.7672      2.39984  9.96457  0.128592  9.87512  0.121509  
1 1 1 39 27 5  o 4.08233  0.0805245 16.6846      0.657455 16.8238      0.947691 16.5554      0.912851 4.09681  0.115662  4.06427  0.112302  
1 1 1 39 27 6  o 6.2168   0.0734481 38.6868      0.913224 39.4659      1.31575  37.9626      1.26853  6.27586  0.104826  6.15538  0.103042  
1 1 1 39 27 7  o 8.61822  0.0815721 74.3679      1.40601  75.1957      2.0295   73.6039      1.9497   8.66022  0.117174  8.5687   0.113769  
1 1 1 39 27 8  o 4.2826   0.080682  18.3644      0.691058 18.8118      0.958592 17.8804      0.997156 4.332    0.110641  4.22269  0.118071  
1 1 1 39 27 9  o 3.0435   0.103799  9.28339      0.631822 10.5352      0.964864 8.34368      0.835991 3.23846  0.148969  2.88236  0.145018  
1 1 1 39 27 10 o 9.98311  0.0973981 99.8642      1.94467  97.3138      2.75933  102.381      2.74112  9.84432  0.140148  10.0987  0.135717  
1 1 1 39 27 11 o 4.70875  0.0811466 22.2056      0.764198 23.0058      1.08195  21.409       1.07953  4.78951  0.11295   4.61983  0.116837  
1 1 1 39 27 12 o 2.84803  0.0972344 8.13013      0.553853 7.55347      0.744913 8.84301      0.828228 2.74215  0.135826  2.96663  0.139591  
1 1 1 39 27 13 o 3.15377  0.0977601 9.97194      0.616626 10.0131      0.855922 9.92749      0.889107 3.15659  0.135577  3.14238  0.14147   
1 1 1 39 27 14 o 3.27048  0.0987863 10.7262      0.646157 10.6317      0.887954 10.8325      0.942053 3.25196  0.136526  3.28161  0.143535  
1 1 1 39 27 15 o 1.7785   0.165065  3.18957      0.587137 3.30253      0.79965  3.05743      0.864851 1.80367  0.221673  1.73198  0.249671  
1 1 1 39 27 16 o 1.77361  0.177958  3.17887      0.631256 2.59652      0.84526  3.91326      0.949217 1.59258  0.265374  1.95891  0.242282  
1 1 1 39 27 17 o 2.7169   0.10478   7.41078      0.569356 7.36159      0.85676  7.44969      0.761938 2.70093  0.158605  2.71975  0.140075  
1 1 1 39 27 18 o 3.33613  0.0994503 11.1699      0.663558 10.8242      0.907393 11.5672      0.972848 3.27849  0.138386  3.38824  0.143562  
1 1 1 39 27 19 o 1.39072  0.229603  1.9746       0.638629 2.68297      0.933161 1.35054      0.875873 1.58471  0.305323  1.13195  0.350868  
1 1 1 39 27 20 o 2.57974  0.129145  6.70378      0.666319 6.17245      0.923852 7.27982      0.961935 2.46543  0.187362  2.67914  0.179523  
1 1 1 39 27 21 o 1.35885  0.244967  1.95628      0.641434 2.87862      0.902524 1.01489      0.911795 1.66613  0.270844  1.02124  0.359017  
1 1 1 39 27 22 o 0.74297  0.295332  0.341383     0.655191 -0.169916    0.916935 0.874776     0.936536 0.72992  0.321973  0.981674 0.361951  
1 1 1 39 27 23 o 1.65696  0.229739  2.83266      0.761337 3.73371      1.04248  1.80279      1.11451  1.88936  0.275882  1.27506  0.395903  
1 1 1 39 27 24 o 1.06551  0.313905  1.23555      0.713605 1.78652      1.0331   0.7328       0.986869 1.26354  0.37896   0.948443 0.366151  
1 1 1 39 27 25 o 1.74381  0.225336  3.15636      0.785886 3.17626      1.14169  3.13845      1.08342  1.68086  0.351052  1.67924  0.334452  
1 1 1 39 27 26 o 0.934061 0.332712  0.859343     0.785388 0.412863     1.10064  1.32254      1.12106  0.898872 0.372968  1.12206  0.397721  
1 1 1 39 27 27 o 1.36111  0.294879  2.0601       0.780095 3.65575      1.08833  0.374026     1.11874  1.84239  0.295358  0.888867 0.372841  
1 1 1 39 27 28 o 1.19931  0.330718  1.6615       0.818474 1.87653      1.18072  1.46259      1.13559  1.25273  0.409652  1.13561  0.400516  
1 1 1 39 27 29 o 0.724448 0.30882   0.167334     0.788594 1.11661      1.14085  -0.701237    1.09128  1.03332  0.395013  0.688423 0.321602  
1 1 1 39 27 30 o 2.68248  0.156938  7.44552      0.841964 7.73639      1.18245  7.14637      1.19917  2.69138  0.219673  2.57672  0.232693  
1 1 1 39 27 31 o 0.97712  0.341686  1.13369      0.82496  1.06864      1.13771  1.20581      1.19795  0.983737 0.38976   1.02027  0.401298  
1 1 1 39 27 32 o 0.947373 0.334758  1.08074      0.793648 1.99854      1.11939  0.153037     1.12541  1.20923  0.398871  0.790539 0.351752  
1 1 1 39 27 33 o 2.61748  0.196312  7.51276      1.02769  7.93962      1.48518  7.12061      1.42352  2.56185  0.289864  2.41991  0.294127  
1 1 1 39 27 34 o 0.915434 0.36956   1.13023      1.04596  2.08767      1.45774  0.114209     1.50167  1.09916  0.439357  0.80562  0.376703  
1 1 1 39 27 35 f 1.02239  0.381034  1.82427      1.04337  3.18922      1.43022  0.27145      1.52548  1.23588  0.448103  0.7685   0.365348  
1 1 1 39 27 36 o 0.633052 0.30344   -0.307081    1.09754  -1.76686     1.62297  0.923078     1.48987  0.62196  0.310961  0.809489 0.377231  
1 1 1 39 28 0  o 1.5952   0.231882  2.71196      0.693775 2.71196      0.693775 2.71196      0.693775 1.62352  0.154284  ?        ?         
1 1 1 39 28 1  o 7.65975  0.072324  58.7269      1.10797  58.3695      1.57771  59.0747      1.55631  7.63264  0.103353  7.67889  0.101337  
1 1 1 39 28 2  f 5.07444  0.0710611 25.7735      0.72119  25.9203      1.06345  25.6485      0.981325 5.08614  0.104544  5.06011  0.0969668 
1 1 1 39 28 3  o 6.14594  0.0741122 37.8108      0.910978 37.617       1.30667  37.9941      1.27072  6.12684  0.106634  6.15789  0.103178  
1 1 1 39 28 4  o 5.16765  0.0778039 26.7351      0.804127 26.1606      1.16992  27.2495      1.1071   5.10844  0.114508  5.21457  0.106154  
1 1 1 39 28 5  o 6.8952   0.0758853 47.5968      1.04649  49.2431      1.5473   46.2088      1.42071  7.00909  0.110378  6.79052  0.10461   
1 1 1 39 28 6  o 3.38083  0.0884996 11.4478      0.598404 10.9372      0.857383 11.9329      0.835581 3.30162  0.129843  3.44938  0.12112   
1 1 1 39 28 7  o 1.13676  0.256678  1.36083      0.569795 1.70904      0.84915  1.07563      0.768497 1.26977  0.331018  1.03426  0.329961  
1 1 1 39 28 8  o 6.45735  0.0856931 41.7617      1.1067   42.12        1.59566  41.4297      1.53625  6.47976  0.123127  6.42702  0.119515  
1 1 1 39 28 9  o 1.96188  0.161825  3.87113      0.634961 2.90348      0.890257 4.87307      0.905888 1.69119  0.263204  2.19731  0.206135  
1 1 1 39 28 10 o 4.48428  0.0919298 20.1485      0.824479 20.8825      1.15032  19.3731      1.18232  4.56129  0.126096  4.39222  0.134593  
1 1 1 39 28 11 o 1.90635  0.164778  3.65899      0.628252 2.92336      0.879782 4.42446      0.897448 1.69555  0.259439  2.09142  0.214555  
1 1 1 39 28 12 o 0.462663 0.222142  -0.850896    0.594469 -1.16953     0.821663 -0.500912    0.861137 0.543231 0.260908  0.656981 0.2988    
1 1 1 39 28 13 o 4.43071  0.0795841 19.6672      0.705227 20.2994      0.980051 18.9883      1.01558  4.49782  0.108947  4.34903  0.11676   
1 1 1 39 28 14 o 3.33984  0.0971024 11.1869      0.648614 11.729       0.896732 10.5922      0.939306 3.4157   0.131266  3.2441   0.144772  
1 1 1 39 28 15 o 5.93561  0.0859945 35.3177      1.02086  35.8679      1.38815  34.6696      1.50654  5.97549  0.116153  5.87192  0.128283  
1 1 1 39 28 16 o 2.78004  0.119122  7.76826      0.662326 7.95988      0.908136 7.5505       0.968077 2.80803  0.161703  2.7323   0.177154  
1 1 1 39 28 17 o 3.01236  0.113843  9.11644      0.685871 9.11806      0.932537 9.11452      1.0123   3.00655  0.155084  3.00362  0.168514  
1 1 1 39 28 18 o 2.80091  0.110588  7.88298      0.619492 6.97896      0.868706 8.81842      0.883673 2.62763  0.165302  2.95657  0.149442  
1 1 1 39 28 19 o 3.88528  0.0971063 15.1543      0.75457  14.582       1.08875  15.6833      1.04674  3.80237  0.143167  3.94572  0.132642  
1 1 1 39 28 20 o 2.252    0.140549  5.12157      0.633033 4.50403      0.882518 5.77606      0.908536 2.09934  0.210189  2.38191  0.190716  
1 1 1 39 28 21 o 1.48233  0.21554   2.25227      0.639003 2.59424      0.8915   1.89093      0.916388 1.55109  0.298012  1.30965  0.345016  
1 1 1 39 28 22 o 1.16398  0.294932  1.47731      0.687737 1.51327      0.980551 1.44249      0.964853 1.18013  0.372333  1.15665  0.369792  
1 1 1 39 28 23 f 1.81705  0.212118  3.39589      0.770861 3.30509      1.12997  3.47494      1.05428  1.73128  0.338409  1.81578  0.290311  
1 1 1 39 28 24 o 1.56055  0.251506  2.54631      0.784973 3.50586      1.08398  1.48829      1.13825  1.81514  0.298594  1.17454  0.402216  
1 1 1 39 28 25 o 1.48163  0.278837  2.38824      0.795939 2.46204      1.1181   2.31242      1.13331  1.46384  0.379014  1.41599  0.388588  
1 1 1 39 28 26 o 1.43921  0.272676  2.26356      0.756383 1.60293      1.06249  2.94241      1.07703  1.19042  0.388601  1.60978  0.344527  
1 1 1 39 28 27 o 0.898974 0.336034  0.759113     0.812673 0.963626     1.10408  0.517294     1.20056  1.01071  0.387948  0.933773 0.388618  
1 1 1 39 28 28 o 1.21717  0.325431  1.72356      0.807775 3.64623      1.19866  0.123977     1.09332  1.76527  0.351985  0.817592 0.356306  
1 1 1 39 28 29 o 0.933562 0.330361  0.943734     0.773192 1.49516      1.08562  0.376093     1.10147  1.12254  0.392022  0.859254 0.36559   
1 1 1 39 28 30 o 1.70131  0.242144  3.15694      0.823923 3.21697      1.14089  3.0915       1.19114  1.61502  0.362191  1.56328  0.383382  
1 1 1 39 28 31 o 0.898953 0.335082  0.907459     0.806949 2.0576       1.12221  -0.323957    1.16118  1.23499  0.399209  0.734801 0.338791  
1 1 1 39 28 32 o 1.13418  0.343587  1.68282      0.846389 2.19881      1.20484  1.1801       1.18926  1.22966  0.413814  0.978647 0.394483  
1 1 1 39 28 33 o 0.602649 0.287964  -0.682712    0.969065 -0.667162    1.34294  -0.699607    1.39976  0.704421 0.337167  0.713797 0.342273  
1 1 1 39 28 34 o 1.23449  0.387538  2.43296      1.064    2.97909      1.51233  1.89767      1.49724  1.22869  0.458578  1.01987  0.42972   
1 1 1 39 28 35 o 0.792454 0.350346  0.840173     1.09399  2.07017      1.63759  -0.151202    1.47018  0.957745 0.425361  0.711895 0.343636  
1 1 1 39 28 36 o 0.717557 0.329198  0.669542     1.08075  -0.441993    1.64378  1.51588      1.43435  0.662237 0.32847   0.819723 0.3774    
1 1 1 39 29 0  o 0.792951 0.376697  0.936945     0.675239 0.936945     0.675239 0.936945     0.675239 0.832833 0.309537  ?        ?         
1 1 1 39 29 1  o 5.51225  0.0674619 30.4121      0.743734 30.261       1.06003  30.5587      1.04375  5.49598  0.0964373 5.52315  0.0944888 
1 1 1 39 29 2  o 1.31886  0.168465  1.74919      0.444364 1.90386      0.618748 1.58444      0.638571 1.37293  0.225338  1.22655  0.267716  
1 1 1 39 29 3  o 6.49925  0.0749683 42.2878      0.974476 43.3338      1.41068  41.3331      1.34771  6.5753   0.107271  6.42203  0.104929  
1 1 1 39 29 4  o 5.31491  0.0799442 28.2849      0.849792 28.5582      1.22046  28.0277      1.18394  5.33695  0.114341  5.28743  0.111958  
1 1 1 39 29 5  o 8.63543  0.0854331 74.683       1.4755   73.1634      2.1036   76.1547      2.07016  8.54029  0.123157  8.71407  0.118783  
1 1 1 39 29 6  o 4.66434  0.0760892 21.7826      0.709812 20.3339      0.993058 23.296       1.01495  4.50359  0.110252  4.82101  0.105263  
1 1 1 39 29 7  o 8.76689  0.0921717 77.0009      1.61612  76.6425      2.29908  77.3511      2.27223  8.73818  0.131554  8.77901  0.129413  
1 1 1 39 29 8  o 2.4564   0.132785  6.05825      0.652346 5.67706      0.909722 6.46174      0.935949 2.37273  0.191704  2.53215  0.184813  
1 1 1 39 29 9  o 2.06018  0.156278  4.26944      0.643924 4.23276      0.868701 4.31418      0.959322 2.04625  0.212267  2.06362  0.232436  
1 1 1 39 29 10 o 2.92869  0.116864  8.6076       0.684519 8.4496       0.921407 8.80221      1.02259  2.89738  0.159007  2.95546  0.173001  
1 1 1 39 29 11 f 5.72759  0.0883788 32.8766      1.0124   32.9658      1.43073  32.7872      1.43276  5.72928  0.124861  5.71363  0.125381  
1 1 1 39 29 12 o 2.70486  0.123042  7.34868      0.665625 8.6295       0.951986 6.12361      0.931036 2.92637  0.162656  2.46183  0.189094  
1 1 1 39 29 13 o 4.62058  0.0927633 21.4066      0.85724  23.3189      1.20665  19.4579      1.21807  4.81724  0.125243  4.39803  0.138479  
1 1 1 39 29 14 o 1.9075   0.139803  3.66214      0.533349 3.89649      0.713167 3.36473      0.803412 1.96311  0.181642  1.8195   0.220779  
1 1 1 39 29 15 o 3.07423  0.106256  9.48943      0.653308 9.04402      0.891214 10.0068      0.960506 2.99532  0.148768  3.15009  0.152457  
1 1 1 39 29 16 o 5.55759  0.0893403 30.9749      0.993034 32.8971      1.39809  29.0178      1.41072  5.7202   0.122206  5.37011  0.131349  
1 1 1 39 29 17 o 3.4651   0.103999  12.0576      0.720738 11.6193      0.968655 12.6013      1.07877  3.39524  0.142649  3.53379  0.152636  
1 1 1 39 29 18 o 1.24285  0.241827  1.63152      0.579662 1.65368      0.881136 1.61461      0.769658 1.23691  0.343927  1.22331  0.313223  
1 1 1 39 29 19 o 1.79514  0.165916  3.26652      0.595683 3.76569      0.858506 2.80307      0.827211 1.91705  0.223914  1.64892  0.250835  
1 1 1 39 29 20 o 3.90549  0.0957732 15.3255      0.748083 15.8107      1.05028  14.8258      1.06579  3.95818  0.132672  3.8312   0.139093  
1 1 1 39 29 21 o 1.9354   0.175569  3.81238      0.679591 3.38753      0.928661 4.30222      0.997166 1.80631  0.25706   2.03921  0.244499  
1 1 1 39 29 22 o 2.60151  0.141819  6.85159      0.737885 6.46214      1.04109  7.2447       1.04598  2.50878  0.207489  2.65988  0.196622  
1 1 1 39 29 23 o 3.31265  0.126262  11.0929      0.836522 9.59204      1.20266  12.4995      1.16431  3.05705  0.196703  3.50264  0.166204  
1 1 1 39 29 24 o 1.05397  0.329618  1.21132      0.770698 1.98312      1.05413  0.324988     1.12965  1.31791  0.379373  0.890492 0.37414   
1 1 1 39 29 25 o 1.69611  0.227477  2.99459      0.771652 3.50933      1.06591  2.42774      1.11855  1.81232  0.294074  1.4502   0.380782  
1 1 1 39 29 26 o 0.793317 0.318827  0.412528     0.77358  0.0928332    1.08313  0.745392     1.10522  0.823954 0.356798  0.965205 0.383605  
1 1 1 39 29 27 o 3.33542  0.135905  11.3476      0.906603 12.0568      1.3017   10.6795      1.26342  3.40555  0.191114  3.2011   0.197341  
1 1 1 39 29 28 o 1.50876  0.269834  2.53714      0.784829 3.03852      1.11476  2.04438      1.10514  1.59763  0.35783   1.28983  0.392982  
1 1 1 39 29 29 o 1.59286  0.244629  2.75085      0.77932  2.55385      1.05003  2.99245      1.16283  1.44347  0.363638  1.55516  0.377197  
1 1 1 39 29 30 o 0.816853 0.326061  0.598866     0.801691 0.884305     1.1094   0.286901     1.1598   0.93967  0.380083  0.833564 0.365086  
1 1 1 39 29 31 o 0.444255 0.221358  -1.77215     0.789029 -1.45874     1.06533  -2.15298     1.17433  0.576687 0.281456  0.559229 0.27744   
1 1 1 39 29 32 o 0.83719  0.337621  0.762097     0.871706 1.52245      1.20223  -0.0807553   1.26577  1.03399  0.403106  0.76374  0.352737  
1 1 1 39 29 33 o 2.16627  0.238753  5.44451      1.03441  7.54875      1.44881  3.25658      1.47735  2.46641  0.293709  1.36358  0.458229  
1 1 1 39 29 34 o 0.783866 0.343811  0.719773     1.0316   0.89813      1.57038  0.584377     1.36824  0.843546 0.390854  0.794224 0.366786  
1 1 1 39 29 35 o 0.766115 0.337855  0.708206     1.00877  1.18914      1.45827  0.266875     1.39694  0.85339  0.388316  0.744153 0.351803  
1 1 1 39 30 0  f 3.47644  0.11163   12.1386      0.774338 12.1386      0.774338 12.1386      0.774338 3.48026  0.0787546 ?        ?         
1 1 1 39 30 1  o 5.7236   0.0681833 32.7914      0.780508 32.242       1.09741  33.3537      1.11031  5.67271  0.096727  5.76973  0.096219  
1 1 1 39 30 2  o 0.760754 0.248501  0.565121     0.434483 0.995408     0.59725  0.0814292    0.63323  0.98022  0.286665  0.670088 0.280762  
1 1 1 39 30 3  o 9.80944  0.0856632 96.3748      1.68062  95.4576      2.38822  97.2747      2.36544  9.75488  0.122412  9.84787  0.120099  
1 1 1 39 30 4  o 1.36812  0.191938  1.88669      0.525191 1.29099      0.775907 2.39038      0.713478 1.11348  0.327093  1.53721  0.232069  
1 1 1 39 30 5  o 7.10614  0.076639  50.5632      1.08921  51.7745      1.55251  49.3891      1.52853  7.18617  0.108021  7.01853  0.108893  
1 1 1 39 30 6  o 4.7304   0.086643  22.4154      0.819712 23.3354      1.17263  21.5362      1.14631  4.82249  0.12158   4.63257  0.123723  
1 1 1 39 30 7  o 8.21008  0.0878769 67.5306      1.44295  66.9514      1.97123  68.1993      2.11794  8.1681   0.120667  8.24196  0.128486  
1 1 1 39 30 8  o 3.2102   0.106316  10.335       0.682595 9.83791      0.941401 10.886       0.991191 3.1276   0.150499  3.28997  0.150638  
1 1 1 39 30 9  o 0.937755 0.296652  0.890972     0.622139 1.23076      0.846204 0.491231     0.917827 1.09584  0.345902  0.889691 0.350839  
1 1 1 39 30 10 o 3.87784  0.0954818 15.0766      0.740526 15.2054      1.03025  14.9389      1.06515  3.88982  0.132428  3.85474  0.138161  
1 1 1 39 30 11 o 3.29247  0.106376  10.8768      0.70048  11.1512      0.972809 10.5814      1.00946  3.32886  0.146118  3.24132  0.155718  
1 1 1 39 30 12 o 0.887026 0.295642  0.769785     0.614963 1.06023      0.860097 0.466015     0.879609 1.03822  0.349635  0.86802  0.343088  
1 1 1 39 30 13 f 0.923057 0.297517  0.859092     0.623629 -0.0535883   0.872915 1.81054      0.891261 0.743042 0.321014  1.29665  0.339638  
1 1 1 39 30 14 o 2.86197  0.128324  8.23957      0.734519 8.99186      1.01338  7.40686      1.06617  2.98306  0.169855  2.70253  0.197253  
1 1 1 39 30 15 o 4.12696  0.0907748 17.082       0.749248 17.4105      0.995385 16.6525      1.13809  4.16186  0.119584  4.06639  0.139939  
1 1 1 39 30 16 o 5.33391  0.0977742 28.5559      1.04304  30.3934      1.5723   27.1117      1.39392  5.49125  0.143164  5.18877  0.13432   
1 1 1 39 30 17 o 0.671129 0.284647  0.0492091    0.664088 -0.0974596   0.922127 0.20724      0.957178 0.752044 0.327485  0.828943 0.346121  
1 1 1 39 30 18 o 0.707743 0.29068   0.202583     0.659782 0.784316     0.888571 -0.512273    0.985008 0.950125 0.352124  0.70318  0.319746  
1 1 1 39 30 19 f 1.40164  0.20795   2.00779      0.582941 1.35895      0.836928 2.6192       0.812424 1.12497  0.341834  1.59224  0.25512   
1 1 1 39 30 20 f 0.515754 0.242142  -0.639483    0.640621 -0.0671495   0.942063 -1.13181     0.873741 0.75894  0.330743  0.566239 0.271252  
1 1 1 39 30 21 o 2.0307   0.165799  4.19199      0.673376 4.0619       0.972039 4.31203      0.933711 1.97967  0.245505  2.04457  0.22834   
1 1 1 39 30 22 o 2.19797  0.165546  4.91792      0.727733 4.98498      1.00473  4.84391      1.05549  2.19516  0.228851  2.1588   0.244462  
1 1 1 39 30 23 o 0.814176 0.31262   0.529833     0.717148 1.60275      1.03993  -0.443122    0.990295 1.19922  0.38396   0.705873 0.320873  
1 1 1 39 30 24 o 3.10559  0.140053  9.78954      0.869896 9.8899       1.23871  9.69188      1.2219   3.0977   0.19994   3.06687  0.19921   
1 1 1 39 30 25 o 4.24684  0.111203  18.2309      0.944522 17.6255      1.28181  18.9502      1.39714  4.15534  0.154237  4.30397  0.162308  
1 1 1 39 30 26 f 2.56944  0.166033  6.78339      0.853222 6.48178      1.22523  7.06737      1.18887  2.47183  0.247839  2.59177  0.229354  
1 1 1 39 30 27 o 2.01322  0.200669  4.24604      0.80798  3.77271      1.13758  4.7279       1.1478   1.81338  0.325478  2.08303  0.275512  
1 1 1 39 30 28 o 1.55235  0.249607  2.6054       0.774954 2.04204      1.09128  3.17852      1.10068  1.28359  0.390396  1.63654  0.346854  
1 1 1 39 30 29 o 0.990038 0.33688   1.14651      0.798488 1.55397      1.12002  0.725358     1.13868  1.11845  0.397426  0.921926 0.38075   
1 1 1 39 30 30 o 0.654056 0.295819  -0.152741    0.826846 0.791793     1.11261  -1.31786     1.23572  0.912122 0.376514  0.647403 0.312987  
1 1 1 39 30 31 o 0.615977 0.286657  -0.404423    0.856556 -0.717236    1.20274  -0.0824803   1.22016  0.686444 0.325422  0.76832  0.351356  
1 1 1 39 30 32 o 1.52501  0.320815  3.01966      0.947614 4.56744      1.38083  1.64183      1.30282  1.77927  0.398068  1.03695  0.414994  
1 1 1 39 30 33 o 1.09842  0.379163  1.88324      1.01306  1.93517      1.41944  1.82933      1.44632  1.04858  0.427788  1.02691  0.426909  
1 1 1 39 30 34 o 1.03954  0.379818  1.92899      1.02926  1.9912       1.52231  1.87659      1.39694  0.961518 0.419719  0.957519 0.409687  
1 1 1 39 30 35 o 0.826087 0.363221  1.23444      1.15718  0.400184     1.59901  2.1518       1.67677  0.737247 0.356354  0.90744  0.413841  
1 1 1 39 31 0  o 4.95245  0.0997202 24.5841      0.986814 24.5841      0.986814 24.5841      0.986814 4.95535  0.0704391 ?        ?         
1 1 1 39 31 1  o 6.67829  0.0697159 44.6488      0.931165 45.0021      1.33887  44.3179      1.29592  6.70079  0.0999037 6.65002  0.097437  
1 1 1 39 31 2  o 5.81131  0.0673246 33.8065      0.782489 34.6381      1.12224  33.0197      1.09161  5.87929  0.0954402 5.74034  0.0950821 
1 1 1 39 31 3  o 4.39898  0.0778734 19.3784      0.685127 19.1224      0.996918 19.6075      0.943147 4.36629  0.114161  4.42218  0.106638  
1 1 1 39 31 4  o 4.45395  0.0784596 19.8668      0.698911 20.66        1.02315  19.1729      0.956987 4.53845  0.11272   4.37245  0.109434  
1 1 1 39 31 5  o 1.23413  0.244555  1.59737      0.582162 2.51355      0.834591 0.729131     0.812457 1.54768  0.279892  0.925971 0.337538  
1 1 1 39 31 6  o 3.85086  0.0938158 14.8626      0.722544 15.5293      1.03366  14.2256      1.0104   3.93206  0.131439  3.76303  0.134254  
1 1 1 39 31 7  f 3.44457  0.100353  11.8973      0.691347 12.359       0.970916 11.4224      0.984652 3.50656  0.138443  3.37011  0.146086  
1 1 1 39 31 8  o 4.16685  0.0906912 17.4027      0.755792 17.5581      1.05392  17.2381      1.08444  4.18101  0.126036  4.14201  0.130907  
1 1 1 39 31 9  o 4.41397  0.0922264 19.5314      0.81417  20.529       1.13455  18.4722      1.16905  4.52061  0.125486  4.28642  0.136367  
1 1 1 39 31 10 o 5.00981  0.0919835 25.1627      0.921639 25.365       1.27506  24.9413      1.3337   5.0241   0.126895  4.98059  0.13389   
1 1 1 39 31 11 f 3.95246  0.0966436 15.6684      0.763959 15.2967      1.06712  16.0592      1.09419  3.89936  0.136833  3.99533  0.136934  
1 1 1 39 31 12 f 1.4271   0.220664  2.07044      0.629822 1.95567      0.880974 2.19043      0.90076  1.34739  0.32926   1.42775  0.322964  
1 1 1 39 31 13 o 7.63356  0.100473  58.4833      1.53394  57.7769      2.26271  59.0841      2.08661  7.5705   0.149443  7.66089  0.136186  
1 1 1 39 31 14 o 2.31542  0.153932  5.40652      0.712832 4.64152      0.967311 6.31567      1.05452  2.13473  0.226565  2.49305  0.211492  
1 1 1 39 31 15 o 2.55196  0.144583  6.56513      0.73794  6.52505      1.0121   6.61063      1.07825  2.53492  0.199631  2.54912  0.211495  
1 1 1 39 31 16 o 1.37769  0.228717  1.93784      0.630201 1.82143      0.856384 2.07534      0.930728 1.29676  0.329434  1.38225  0.338834  
1 1 1 39 31 17 o 3.90835  0.103598  15.351       0.809795 14.2633      1.11234  16.5775      1.1812   3.75771  0.148008  4.05171  0.145766  
1 1 1 39 31 18 o 0.938122 0.300734  0.908714     0.637818 0.737554     0.852551 1.12629      0.961215 0.925644 0.344541  1.06384  0.369129  
1 1 1 39 31 19 o 3.47041  0.0983643 12.1087      0.682729 11.6587      0.960353 12.5684      0.970781 3.39554  0.141414  3.52655  0.137639  
1 1 1 39 31 20 o 1.92198  0.16945   3.75677      0.651358 3.45043      0.954062 4.02422      0.891443 1.82089  0.261977  1.9765   0.22551   
1 1 1 39 31 21 o 5.45712  0.095567  29.9536      1.04304  30.6862      1.40462  29.053       1.55734  5.51081  0.127442  5.35378  0.145443  
1 1 1 39 31 22 o 1.10104  0.30523   1.33489      0.695035 1.20481      0.939472 1.49217      1.03303  1.07038  0.365412  1.16732  0.383176  
1 1 1 39 31 23 f 2.44285  0.156965  6.07902      0.766881 6.23758      1.14267  5.94907      1.03445  2.44738  0.233448  2.39706  0.215774  
1 1 1 39 31 24 o 0.633496 0.284921  -0.267199    0.75645  0.0695769    1.12941  -0.541188    1.0187   0.837716 0.363571  0.699112 0.320264  
1 1 1 39 31 25 o 2.40259  0.171439  5.92672      0.823793 6.38715      1.17824  5.4864       1.15223  2.46395  0.239097  2.27686  0.25303   
1 1 1 39 31 26 o 0.840637 0.326755  0.604072     0.788728 0.266241     1.15667  0.897676     1.07831  0.86398  0.371331  0.978945 0.381741  
1 1 1 39 31 27 o 1.13229  0.326102  1.49817      0.778687 1.65261      1.10421  1.34539      1.09827  1.17259  0.396157  1.08706  0.392818  
1 1 1 39 31 28 o 1.17365  0.321599  1.63619      0.776966 2.02091      1.08905  1.23739      1.10881  1.26652  0.390974  1.04524  0.392155  
1 1 1 39 31 29 o 1.00674  0.348987  1.22222      0.859001 1.34647      1.22034  1.1002       1.20935  1.05398  0.407109  0.998533 0.399743  
1 1 1 39 31 30 o 1.87933  0.23547   3.90979      0.885052 4.24997      1.2309   3.54565      1.27349  1.84598  0.346177  1.62983  0.394382  
1 1 1 39 31 31 o 0.597479 0.282271  -0.591134    0.897954 -0.48471     1.26733  -0.698424    1.27248  0.717017 0.337697  0.695751 0.331861  
1 1 1 39 31 32 o 0.789549 0.337973  0.571478     0.951446 1.91125      1.34897  -0.75477     1.34215  1.08102  0.425635  0.692628 0.332855  
1 1 1 39 31 33 o 0.561727 0.273656  -0.90874     0.990494 -1.18916     1.44993  -0.663366    1.35629  0.646818 0.318593  0.668774 0.324245  
1 1 1 39 31 34 o 0.568813 0.279314  -1.05852     1.08812  -1.29809     1.4623   -0.761268    1.62881  0.631771 0.312492  0.693525 0.340933  
1 1 1 39 32 0  o 1.49029  0.247572  2.41131      0.676526 2.41131      0.676526 2.41131      0.676526 1.52558  0.160879  ?        ?         
1 1 1 39 32 1  o 0.772733 0.255351  0.579916     0.458766 0.865334     0.656635 0.307737     0.641225 0.934873 0.305494  0.737087 0.292427  
1 1 1 39 32 2  o 3.47585  0.076834  12.0998      0.534126 11.61        0.75226  12.5977      0.758516 3.40205  0.11056   3.54416  0.107009  
1 1 1 39 32 3  o 8.55168  0.0821562 73.26        1.40515  73.4824      2.04133  73.0598      1.93712  8.55642  0.119286  8.53326  0.113504  
1 1 1 39 32 4  o 2.53064  0.110125  6.42494      0.557374 5.99331      0.809701 6.81367      0.76841  2.43921  0.165976  2.60277  0.147614  
1 1 1 39 32 5  o 2.42846  0.134862  5.927        0.655011 5.59029      0.913358 6.28354      0.939862 2.35228  0.194143  2.49462  0.188378  
1 1 1 39 32 6  o 2.49686  0.1278    6.2631       0.638195 7.41712      0.911076 5.15132      0.894248 2.71273  0.167926  2.25727  0.198082  
1 1 1 39 32 7  o 5.54238  0.0866673 30.7851      0.960687 30.5656      1.29085  31.0577      1.43832  5.51772  0.116973  5.55952  0.129357  
1 1 1 39 32 8  o 5.35989  0.0863141 28.7928      0.925268 29.3588      1.27182  28.1563      1.3486   5.40718  0.117605  5.29339  0.127386  
1 1 1 39 32 9  o 5.86131  0.0890973 34.4402      1.04445  37.1787      1.51421  31.9547      1.44256  6.08264  0.12447   5.63836  0.127923  
1 1 1 39 32 10 o 3.01478  0.113884  9.12754      0.686673 9.75004      0.980411 8.52813      0.962053 3.1097   0.157638  2.90711  0.165466  
1 1 1 39 32 11 o 3.5214   0.103425  12.4467      0.728402 12.1156      1.00027  12.8206      1.06281  3.46805  0.144212  3.56663  0.148993  
1 1 1 39 32 12 o 4.12512  0.0994816 17.0772      0.820748 16.8242      1.11277  17.3791      1.21544  4.08804  0.136101  4.15274  0.146342  
1 1 1 39 32 13 o 2.68869  0.135013  7.27652      0.726016 6.62016      0.977847 8.08282      1.08379  2.55601  0.191284  2.82417  0.191878  
1 1 1 39 32 14 o 3.37357  0.122172  11.4472      0.824315 11.2221      1.12032  11.7128      1.21721  3.33164  0.168133  3.40123  0.178937  
1 1 1 39 32 15 o 5.86187  0.102618  34.5067      1.20306  39.7743      1.6519   28.557       1.75561  6.28476  0.131421  5.31461  0.165168  
1 1 1 39 32 16 o 4.43714  0.117034  19.8117      1.03859  19.0742      1.5673   20.3891      1.38679  4.33509  0.18077   4.49098  0.154397  
1 1 1 39 32 17 o 0.765842 0.294095  0.434618     0.634736 0.775752     0.88333  0.0704279    0.912694 0.944657 0.350887  0.778099 0.331977  
1 1 1 39 32 18 o 1.6293   0.209647  2.71846      0.683155 3.02222      0.910325 2.32683      1.03363  1.70541  0.266893  1.44778  0.35842   
1 1 1 39 32 19 o 2.7256   0.116637  7.48809      0.635811 8.59428      0.927539 6.50758      0.873259 2.91     0.159371  2.52898  0.172651  
1 1 1 39 32 20 o 3.10854  0.112757  9.73968      0.701016 9.67424      1.00212  9.80238      0.980986 3.08476  0.162431  3.10652  0.157891  
1 1 1 39 32 21 f 1.21076  0.28412   1.60446      0.676908 1.70817      0.939888 1.4927       0.975702 1.23574  0.359042  1.16561  0.371785  
1 1 1 39 32 22 o 4.04604  0.10097   16.496       0.817058 17.674       1.14716  15.2831      1.16401  4.17453  0.1374    3.87665  0.150131  
1 1 1 39 32 23 o 1.54157  0.237863  2.48135      0.733366 0.953951     1.05817  3.8931       1.01731  1.01389  0.382509  1.92121  0.264759  
1 1 1 39 32 24 o 1.38882  0.292608  2.1397       0.78729  2.73977      1.21849  1.70966      1.03151  1.52488  0.39606   1.22045  0.381266  
1 1 1 39 32 25 o 1.81393  0.230177  3.47172      0.835053 3.58078      1.1931   3.36699      1.16916  1.76136  0.351129  1.70374  0.354814  
1 1 1 39 32 26 o 1.088    0.327399  1.37163      0.770234 1.34254      1.07513  1.40229      1.104    1.08764  0.389089  1.10591  0.394413  
1 1 1 39 32 27 o 1.59334  0.25203   2.75247      0.80314  3.01602      1.09513  2.44576      1.1814   1.58612  0.354256  1.39306  0.401822  
1 1 1 39 32 28 o 0.487018 0.239713  -1.43037     0.809448 -2.17374     1.11658  -0.606995    1.17513  0.546297 0.270904  0.714094 0.333646  
1 1 1 39 32 29 f 0.57306  0.271254  -0.698356    0.832796 -0.453181    1.16667  -0.95307     1.18915  0.719428 0.334703  0.668822 0.319443  
1 1 1 39 32 30 o 0.926438 0.349914  1.03473      0.886348 0.722923     1.27609  1.32538      1.23205  0.901078 0.388696  1.01391  0.404372  
1 1 1 39 32 31 o 0.582685 0.278063  -0.653935    0.896086 -1.43687     1.2698   0.122765     1.26473  0.620609 0.303861  0.77831  0.356672  
1 1 1 39 32 32 o 1.16354  0.372122  2.04908      0.976991 1.33879      1.33688  2.86324      1.4313   0.947954 0.403032  1.25226  0.44884   
1 1 1 39 32 33 o 0.513146 0.256158  -1.77929     1.08083  -1.31904     1.44851  -2.35743     1.62346  0.626259 0.310069  0.600598 0.30221   
1 1 1 39 32 34 o 0.650047 0.306647  -0.0113977   1.05312  -1.15835     1.51781  1.05335      1.46241  0.630977 0.313363  0.808596 0.375625  
1 1 1 39 33 0  o 5.1665   0.0983375 26.7578      1.01529  26.7578      1.01529  26.7578      1.01529  5.16967  0.069464  ?        ?         
1 1 1 39 33 1  o 3.53256  0.0769827 12.4997      0.543892 12.0974      0.765966 12.9089      0.772433 3.47225  0.110298  3.58711  0.107668  
1 1 1 39 33 2  o 3.37366  0.0765017 11.4004      0.516181 11.1864      0.722065 11.624       0.738183 3.33914  0.108121  3.4038   0.108435  
1 1 1 39 33 3  o 2.64414  0.104011  7.01309      0.550038 5.77458      0.797668 8.13585      0.759478 2.39363  0.166623  2.84516  0.133468  
1 1 1 39 33 4  o 2.97174  0.0977777 8.85572      0.58114  8.86158      0.903181 8.85159      0.759164 2.96695  0.152207  2.96818  0.127884  
1 1 1 39 33 5  o 1.1313   0.276339  1.36008      0.620734 1.42522      0.860213 1.2893       0.89662  1.16386  0.345141  1.12049  0.356299  
1 1 1 39 33 6  o 4.26512  0.0925483 18.2385      0.78946  18.6328      1.12321  17.8536      1.10984  4.30548  0.130439  4.21429  0.131676  
1 1 1 39 33 7  o 0.662777 0.277206  0.0960695    0.615559 0.39123      0.860383 -0.21344     0.881049 0.842138 0.337155  0.716115 0.315782  
1 1 1 39 33 8  o 1.53792  0.215327  2.40068      0.66231  2.4986       0.892297 2.28055      0.988344 1.53344  0.301695  1.45413  0.344659  
1 1 1 39 33 9  o 2.97641  0.117098  8.90052      0.697063 9.02666      0.967584 8.76441      1.00508  2.99098  0.16175   2.94573  0.170599  
1 1 1 39 33 10 o 3.02799  0.112413  9.21063      0.680771 10.0741      0.960554 8.33924      0.964974 3.16074  0.151951  2.8731   0.167933  
1 1 1 39 33 11 o 1.48852  0.217854  2.25339      0.648559 2.83197      0.907722 1.65001      0.926982 1.66056  0.273319  1.23986  0.355385  
1 1 1 39 33 12 o 1.33145  0.2478    1.8677       0.635234 2.19318      0.897836 1.54145      0.898878 1.42707  0.322183  1.20135  0.35179   
1 1 1 39 33 13 o 1.91979  0.181833  3.73371      0.698163 3.56943      0.966046 3.91332      1.01013  1.86477  0.259025  1.9526   0.258663  
1 1 1 39 33 14 o 2.56233  0.146052  6.62184      0.748468 7.03234      1.08207  6.24527      1.03639  2.62935  0.205768  2.47714  0.209192  
1 1 1 39 33 15 o 4.50994  0.120012  20.4746      1.08249  19.4061      1.57492  21.4314      1.49033  4.3727   0.180086  4.6017   0.161932  
1 1 1 39 33 16 o 3.98889  0.122201  16.031       0.974892 17.4813      1.39368  14.6414      1.3642   4.15176  0.167842  3.79572  0.179703  
1 1 1 39 33 17 o 1.55585  0.23163   2.49104      0.720763 2.70285      1.07018  2.31521      0.975075 1.56482  0.350687  1.4494   0.34157   
1 1 1 39 33 18 o 4.06423  0.103358  16.6207      0.840139 18.4599      1.12466  14.2984      1.26374  4.27498  0.13154   3.75039  0.16848   
1 1 1 39 33 19 o 0.830552 0.30567   0.608704     0.667665 0.634959     0.903144 0.577063     0.991465 0.903425 0.349963  0.913741 0.363273  
1 1 1 39 33 20 o 0.510536 0.239915  -0.635098    0.632766 -0.830975    0.878963 -0.424373    0.911665 0.603665 0.283455  0.679051 0.308464  
1 1 1 39 33 21 o 1.42236  0.234424  2.10621      0.66687  1.25975      0.924569 3.0241       0.962785 1.08372  0.362503  1.66263  0.300555  
1 1 1 39 33 22 o 2.59846  0.138737  6.85163      0.721002 7.25081      1.0165   6.44747      1.02283  2.65565  0.191385  2.49933  0.204621  
1 1 1 39 33 23 o 1.30286  0.294001  1.88812      0.747925 2.19278      1.08457  1.61185      1.03278  1.37174  0.38162   1.19108  0.382768  
1 1 1 39 33 24 o 2.134    0.184119  4.70372      0.785818 4.83505      1.17885  4.59869      1.0542   2.12114  0.277881  2.0809   0.253304  
1 1 1 39 33 25 o 1.18265  0.323013  1.62123      0.785378 1.69882      1.11343  1.5444       1.10798  1.1937   0.397807  1.14959  0.396556  
1 1 1 39 33 26 o 0.933456 0.338882  0.918157     0.818213 1.65497      1.08539  -0.0517253   1.24528  1.17143  0.392766  0.826849 0.368899  
1 1 1 39 33 27 o 1.10232  0.344434  1.46374      0.841787 2.77684      1.19991  0.191178     1.18124  1.47526  0.397628  0.83722  0.367553  
1 1 1 39 33 28 o 0.597243 0.277877  -0.462405    0.804313 0.11875      1.15057  -1.01782     1.12481  0.800274 0.355885  0.644574 0.308534  
1 1 1 39 33 29 o 1.22733  0.334465  1.90005      0.843216 0.950099     1.18546  2.87288      1.19964  0.947982 0.38954   1.45238  0.400337  
1 1 1 39 33 30 o 0.552532 0.266557  -0.913711    0.881486 -0.256021    1.2143   -1.64637     1.28165  0.730056 0.340349  0.61455  0.302211  
1 1 1 39 33 31 o 0.987342 0.365561  1.38802      0.957213 1.46245      1.37516  1.31807      1.33322  0.991147 0.414423  0.964705 0.405942  
1 1 1 39 33 32 o 0.670764 0.31132   0.0165622    1.0017   1.32075      1.41293  -1.3013      1.42032  0.900519 0.398134  0.634136 0.312301  
1 1 1 39 33 33 o 1.25985  0.38862   2.72532      1.07625  2.6653       1.50637  2.78792      1.53824  1.08505  0.441352  1.09965  0.446431  
1 1 1 39 33 34 o 0.696724 0.321941  0.582561     1.05605  -0.191913    1.53493  1.27868      1.45521  0.660576 0.325332  0.779669 0.365849  
1 1 1 39 34 0  o 4.88821  0.098521  23.9586      0.9623   23.9586      0.9623   23.9586      0.9623   4.89149  0.0695861 ?        ?         
1 1 1 39 34 1  o 1.42393  0.161793  2.04359      0.460763 1.75109      0.656896 2.32687      0.646463 1.28722  0.26424   1.51506  0.213345  
1 1 1 39 34 2  o 9.99244  0.0863462 100.075      1.72562  97.3744      2.46912  102.654      2.41265  9.84437  0.125408  10.11    0.11932   
1 1 1 39 34 3  o 5.94023  0.0782898 35.3528      0.930119 35.6173      1.32772  35.0978      1.30339  5.95664  0.111449  5.91329  0.110209  
1 1 1 39 34 4  o 2.98721  0.106512  8.95503      0.63635  8.39767      0.921825 9.46242      0.879534 2.88634  0.159688  3.06621  0.143424  
1 1 1 39 34 5  o 3.18798  0.107518  10.2006      0.685531 10.3265      0.948741 10.0631      0.991656 3.20218  0.14814   3.15972  0.156921  
1 1 1 39 34 6  o 2.65454  0.126316  7.08349      0.67062  6.85951      0.936959 7.31876      0.96027  2.60509  0.179833  2.69111  0.178416  
1 1 1 39 34 7  o 1.67644  0.196792  2.8477       0.65982  2.86886      0.905241 2.82372      0.963758 1.67275  0.270585  1.62964  0.306948  
1 1 1 39 34 8  o 3.42012  0.109098  11.7472      0.746255 11.3412      1.00929  12.237       1.10838  3.35398  0.150462  3.48225  0.159147  
1 1 1 39 34 9  f 2.71049  0.126484  7.38903      0.685666 6.97182      0.941754 7.85967      1.00024  2.62517  0.17937   2.7873   0.179429  
1 1 1 39 34 10 o 4.45088  0.0929955 19.8715      0.827824 19.4404      1.15439  20.328       1.18776  4.39547  0.131316  4.49451  0.132135  
1 1 1 39 34 11 o 1.37151  0.245462  1.97912      0.64897  1.48031      0.901793 2.51494      0.934653 1.17988  0.354098  1.53105  0.316014  
1 1 1 39 34 12 o 4.38416  0.101133  19.2989      0.886764 18.7059      1.21576  19.9729      1.29626  4.308    0.141104  4.45037  0.145635  
1 1 1 39 34 13 o 3.80054  0.112295  14.5176      0.853562 14.4859      1.18362  14.552       1.23207  3.78719  0.156267  3.79433  0.162357  
1 1 1 39 34 14 o 3.41804  0.125503  11.7697      0.857946 12.647       1.26491  11.0224      1.16756  3.52972  0.17918   3.29578  0.17713   
1 1 1 39 34 15 o 1.49385  0.267553  2.37573      0.770444 1.52137      1.14376  3.0854       1.04242  1.20405  0.403189  1.6893   0.320153  
1 1 1 39 34 16 o 2.57491  0.155208  6.71659      0.799295 6.45306      1.151    6.96205      1.11082  2.50463  0.229775  2.60663  0.213075  
1 1 1 39 34 17 o 1.8735   0.202703  3.59374      0.759528 2.70356      1.02049  4.69925      1.13724  1.56707  0.335343  2.12393  0.26772   
1 1 1 39 34 18 o 2.14119  0.153073  4.65043      0.655514 3.77963      0.882664 5.72138      0.978855 1.91298  0.230704  2.36085  0.207309  
1 1 1 39 34 19 o 0.683121 0.289777  0.0827578    0.688408 0.0996018    0.903456 0.0594396    1.063    0.773768 0.330216  0.82286  0.354856  
1 1 1 39 34 20 o 2.96023  0.11899   8.85529      0.704478 8.81636      0.985048 8.89605      1.00791  2.93882  0.167593  2.95091  0.170779  
1 1 1 39 34 21 o 2.65143  0.130736  7.12166      0.693275 7.53223      0.995612 6.7352       0.965939 2.70982  0.183704  2.56071  0.188608  
1 1 1 39 34 22 o 0.587656 0.267822  -0.370016    0.699691 -1.44754     1.02812  0.5596       0.954952 0.591722 0.285967  0.886745 0.355124  
1 1 1 39 34 23 o 2.50886  0.154445  6.43098      0.774965 6.30679      1.12078  6.54474      1.07273  2.45371  0.228385  2.50652  0.213988  
1 1 1 39 34 24 o 0.621235 0.280463  -0.255556    0.739887 -1.31542     1.06657  0.72759      1.02725  0.613497 0.295289  0.929538 0.369702  
1 1 1 39 34 25 o 0.912055 0.339482  0.838085     0.827697 0.453024     1.19398  1.19432      1.14843  0.900972 0.381879  1.05385  0.398224  
1 1 1 39 34 26 o 0.964088 0.34514   1.02498      0.846102 0.681726     1.15961  1.41576      1.2373   0.929038 0.383993  1.1037   0.414221  
1 1 1 39 34 27 o 0.722769 0.314522  0.127199     0.84948  -0.783849    1.27319  0.858156     1.14043  0.720762 0.339174  0.944199 0.384034  
1 1 1 39 34 28 o 0.907162 0.33989   0.930662     0.83239  1.85076      1.17969  0.0183589    1.17468  1.16818  0.408587  0.785568 0.354089  
1 1 1 39 34 29 o 0.939814 0.342715  1.09814      0.837641 1.35465      1.1832   0.840405     1.18601  1.01388  0.398809  0.906628 0.382253  
1 1 1 39 34 30 f 1.69865  0.312809  3.68648      1.02288  5.12555      1.41429  2.10808      1.48117  1.91072  0.383602  1.11695  0.444029  
1 1 1 39 34 31 o 1.07771  0.384481  1.83153      1.04917  0.485793     1.47964  3.19235      1.48791  0.831336 0.382972  1.3077   0.458728  
1 1 1 39 34 32 o 1.00027  0.379397  1.78331      1.04566  2.50431      1.48768  1.07927      1.47007  1.05798  0.435835  0.843724 0.385766  
1 1 1 39 34 33 o 0.69585  0.318835  0.361707     1.0102   -0.443948    1.43589  1.1513       1.42151  0.669689 0.326831  0.825092 0.378119  
1 1 1 39 35 0  o 0.847107 0.375156  1.0525       0.665132 1.0525       0.665132 1.0525       0.665132 0.90589  0.294441  ?        ?         
1 1 1 39 35 1  o 5.4115   0.069924  29.331       0.756786 31.3986      1.09872  27.4646      1.0439   5.59452  0.0981959 5.23206  0.0997599 
1 1 1 39 35 2  o 0.744098 0.25109   0.52963      0.443585 0.716469     0.637744 0.354523     0.617398 0.871309 0.30083   0.739128 0.288725  
1 1 1 39 35 3  o 5.81952  0.0785625 33.9368      0.914392 33.6628      1.28742  34.2158      1.29894  5.78986  0.111179  5.8372   0.111264  
1 1 1 39 35 4  o 1.18625  0.281158  1.50135      0.657716 1.88536      0.974288 1.17982      0.891515 1.32148  0.359254  1.08051  0.355964  
1 1 1 39 35 5  o 3.24634  0.112937  10.5861      0.733262 11.1487      1.0061   9.94871      1.07091  3.32549  0.15127   3.13798  0.170638  
1 1 1 39 35 6  o 4.61338  0.0953462 21.3531      0.879736 20.7275      1.21799  22.0355      1.27204  4.53793  0.134201  4.67853  0.135944  
1 1 1 39 35 7  o 5.75864  0.0913704 33.2614      1.05234  34.4433      1.45777  31.9753      1.52068  5.85243  0.124544  5.63613  0.134905  
1 1 1 39 35 8  o 3.77411  0.106443  14.3016      0.803456 13.9145      1.07655  14.7883      1.20715  3.71617  0.144847  3.82841  0.157657  
1 1 1 39 35 9  o 2.85927  0.124478  8.22238      0.711833 8.46599      1.00237  7.97452      1.01105  2.89349  0.173211  2.80699  0.180096  
1 1 1 39 35 10 o 2.1272   0.157439  4.56889      0.669806 4.22421      0.946631 4.91447      0.947868 2.03382  0.232722  2.19692  0.215726  
1 1 1 39 35 11 o 3.21159  0.119094  10.3728      0.764962 10.6659      1.08034  10.0781      1.0833   3.24785  0.166317  3.15596  0.171629  
1 1 1 39 35 12 o 2.3803   0.161183  5.72777      0.767326 4.20329      1.03408  7.59565      1.14464  2.02233  0.255667  2.73068  0.209589  
1 1 1 39 35 13 o 1.83429  0.205979  3.43471      0.755653 2.78827      1.12238  3.97066      1.02198  1.59147  0.360864  1.96047  0.260646  
1 1 1 39 35 14 o 2.71231  0.144958  7.43494      0.786343 8.65727      1.11937  6.24403      1.10489  2.91526  0.191984  2.4677   0.223869  
1 1 1 39 35 15 o 2.62046  0.149583  6.95057      0.78395  6.86958      1.13512  7.02443      1.084    2.58714  0.219377  2.61986  0.20688   
1 1 1 39 35 16 o 1.62177  0.240418  2.71841      0.779804 1.62438      1.03981  4.1246       1.17885  1.21904  0.383189  1.98049  0.297616  
1 1 1 39 35 17 o 1.71166  0.223852  3.01937      0.766317 2.7996       1.04779  3.27213      1.12366  1.59121  0.339281  1.72489  0.337764  
1 1 1 39 35 18 o 1.98584  0.195332  4.04224      0.775795 4.40466      1.09947  3.68288      1.09482  2.05074  0.268067  1.86693  0.293215  
1 1 1 39 35 19 o 1.18849  0.28678   1.55318      0.674844 0.832039     0.89265  2.51514      1.03097  0.950195 0.352776  1.49362  0.350731  
1 1 1 39 35 20 o 1.41358  0.224633  2.07469      0.635074 2.31759      0.896192 1.82968      0.900081 1.4428   0.319075  1.27359  0.344885  
1 1 1 39 35 21 o 1.84394  0.186733  3.49628      0.688647 4.05848      0.99844  2.98616      0.951074 1.96379  0.254212  1.64826  0.299567  
1 1 1 39 35 22 o 1.84314  0.198403  3.51525      0.731369 3.60058      1.10613  3.44896      0.974885 1.82481  0.30308   1.79964  0.270855  
1 1 1 39 35 23 o 1.25462  0.299304  1.78199      0.741589 1.67092      1.08998  1.87771      1.0119   1.1955   0.393596  1.2617   0.374374  
1 1 1 39 35 24 o 1.60062  0.247009  2.75027      0.790736 4.05998      1.10629  1.38227      1.13064  1.92172  0.28784   1.10307  0.398569  
1 1 1 39 35 25 o 0.75068  0.320039  0.207305     0.847108 -0.505777    1.19268  0.933231     1.20337  0.744682 0.34335   0.994333 0.398466  
1 1 1 39 35 26 o 3.49521  0.140206  12.5836      0.980098 14.2232      1.4186   11.0862      1.35568  3.66813  0.193368  3.22254  0.210343  
1 1 1 39 35 27 o 0.897962 0.340446  0.885841     0.841675 0.350118     1.21705  1.37695      1.16526  0.850581 0.373252  1.05115  0.399976  
1 1 1 39 35 28 o 0.666982 0.297132  -0.0186623   0.805205 -1.45614     1.13304  1.44808      1.14451  0.59846  0.291755  1.05504  0.397876  
1 1 1 39 35 29 o 0.747839 0.325666  0.340215     0.911973 0.375418     1.24884  0.299994     1.3349   0.819509 0.367421  0.823189 0.373759  
1 1 1 39 35 30 o 1.32961  0.363844  2.52165      0.995318 2.32886      1.45244  2.69234      1.36665  1.153    0.444392  1.25561  0.439717  
1 1 1 39 35 31 o 1.47362  0.362469  3.29727      1.06232  2.45179      1.49393  4.16209      1.51092  1.07902  0.439316  1.45719  0.462436  
1 1 1 39 35 32 o 0.830859 0.353374  1.02864      1.02839  1.16158      1.43805  0.88949      1.47125  0.855166 0.388186  0.822584 0.380059  
1 1 1 39 35 33 o 0.618837 0.295251  0.00605282   1.00891  -1.25468     1.411    1.32491      1.44316  0.581084 0.290441  0.785109 0.367668  
1 1 1 39 36 0  o 7.15295  0.100266  51.2877      1.43376  51.2877      1.43376  51.2877      1.43376  7.15723  0.0708408 ?        ?         
1 1 1 39 36 1  o 4.10146  0.0773845 16.8584      0.634779 17.2601      0.921222 16.4952      0.875916 4.14525  0.111118  4.05284  0.108062  
1 1 1 39 36 2  o 7.74823  0.0766908 60.1624      1.18843  60.8076      1.75729  59.6186      1.61333  7.77994  0.112937  7.706    0.10468   
1 1 1 39 36 3  o 5.73458  0.0829114 32.9669      0.950924 33.1791      1.41134  32.7905      1.28688  5.74443  0.122844  5.71318  0.112624  
1 1 1 39 36 4  o 4.65065  0.0939396 21.6972      0.873761 22.1894      1.2558   21.2353      1.21651  4.69538  0.133727  4.59362  0.132413  
1 1 1 39 36 5  o 1.56284  0.213214  2.48222      0.666437 3.39851      0.924262 1.48994      0.961829 1.82244  0.253578  1.18853  0.367535  
1 1 1 39 36 6  o 4.52396  0.0960129 20.5339      0.868717 21.2681      1.20174  19.7305      1.25724  4.59751  0.130695  4.42573  0.142037  
1 1 1 39 36 7  o 4.83939  0.0937669 23.4964      0.907548 24.2704      1.25635  22.6517      1.31242  4.91146  0.1279    4.7424   0.138371  
1 1 1 39 36 8  o 5.3981   0.0932077 29.238       1.00629  29.4219      1.40327  29.0433      1.44381  5.40648  0.129776  5.37031  0.134425  
1 1 1 39 36 9  o 1.99813  0.169726  4.03828      0.67827  3.17605      0.940214 4.97392      0.979424 1.7572   0.267532  2.20864  0.221725  
1 1 1 39 36 10 o 2.12688  0.163833  4.57257      0.696909 3.60326      0.985874 5.54072      0.985282 1.87195  0.263328  2.33276  0.211184  
1 1 1 39 36 11 o 4.40042  0.11461   19.4779      1.00866  20.8207      1.4147   18.0894      1.43853  4.53824  0.155865  4.22571  0.170211  
1 1 1 39 36 12 o 2.7544   0.150582  7.67252      0.829526 8.69409      1.21915  6.79184      1.13196  2.91717  0.208961  2.57546  0.219758  
1 1 1 39 36 13 o 1.75125  0.209064  3.13516      0.732248 3.62131      1.0582   2.6885       1.01431  1.86508  0.283687  1.5689   0.333297  
1 1 1 39 36 14 o 1.17396  0.306786  1.50274      0.728256 1.41253      1.09158  1.57509      0.977635 1.1625   0.393885  1.20238  0.370285  
1 1 1 39 36 15 f 1.40656  0.28824   2.14116      0.782932 2.18591      1.10678  2.09635      1.10769  1.39545  0.384479  1.36734  0.387388  
1 1 1 39 36 16 o 0.848092 0.325843  0.562236     0.779486 1.50063      1.06921  -0.502278    1.1388   1.18093  0.389828  0.759325 0.344883  
1 1 1 39 36 17 o 3.02168  0.136016  9.24104      0.821992 8.84126      1.15873  9.64603      1.16625  2.93608  0.197327  3.0696   0.189967  
1 1 1 39 36 18 o 2.23182  0.182757  5.10156      0.815759 5.62831      1.11219  4.48822      1.20013  2.32484  0.239198  2.05623  0.291829  
1 1 1 39 36 19 o 2.12704  0.187426  4.64449      0.797323 5.22769      1.12475  4.05536      1.13045  2.23345  0.251796  1.95283  0.289438  
1 1 1 39 36 20 o 0.459493 0.224423  -1.20691     0.68155  -1.79387     0.907857 -0.448909    1.03169  0.510327 0.251352  0.71934  0.327132  
1 1 1 39 36 21 o 2.58081  0.139834  6.77509      0.721771 6.59511      1.03602  6.94483      1.00611  2.52174  0.205418  2.59275  0.194024  
1 1 1 39 36 22 o 0.709732 0.298567  0.178471     0.720869 -0.496854    1.00531  0.893202     1.03423  0.694032 0.318027  0.977742 0.375423  
1 1 1 39 36 23 o 0.951205 0.336361  0.967008     0.801401 1.45504      1.15661  0.516341     1.11145  1.12699  0.403523  0.898201 0.373872  
1 1 1 39 36 24 o 0.63296  0.288679  -0.352464    0.816142 -0.00206177  1.14215  -0.718056    1.16664  0.805453 0.356792  0.710913 0.332268  
1 1 1 39 36 25 o 0.594507 0.278578  -0.61187     0.833134 -1.11251     1.18955  -0.129839    1.16723  0.667356 0.318922  0.783035 0.352955  
1 1 1 39 36 26 o 0.758667 0.318191  0.354858     0.814657 0.716993     1.14942  -0.0106755   1.1548   0.911031 0.379772  0.783673 0.352275  
1 1 1 39 36 27 o 0.885519 0.339118  0.859384     0.842056 1.88234      1.19533  -0.148363    1.18641  1.17192  0.411155  0.763128 0.348049  
1 1 1 39 36 28 o 1.43677  0.317787  2.60309      0.88885  2.01298      1.23928  3.22826      1.27555  1.16296  0.417567  1.49128  0.413525  
1 1 1 39 36 29 o 1.13045  0.360987  1.82537      0.919654 2.93748      1.30252  0.719841     1.29866  1.35079  0.429432  0.866557 0.382589  
1 1 1 39 36 30 o 1.40097  0.364922  2.89485      1.03254  1.38613      1.42483  4.56343      1.49842  0.943024 0.408804  1.63885  0.445524  
1 1 1 39 36 31 o 1.47466  0.363266  3.40233      1.06579  4.77646      1.53886  2.13557      1.47752  1.54427  0.46238   0.990935 0.422575  
1 1 1 39 36 32 o 1.26882  0.382418  2.84248      1.0503   3.00946      1.48733  2.67639      1.48338  1.10185  0.442392  1.04117  0.432559  
1 1 1 39 37 0  o 2.27936  0.165619  5.30216      0.745848 5.30216      0.745848 5.30216      0.745848 2.29118  0.115767  ?        ?         
1 1 1 39 37 1  o 3.49587  0.0815673 12.2503      0.570298 12.0647      0.809429 12.4332      0.803649 3.46488  0.116805  3.51776  0.114227  
1 1 1 39 37 2  o 0.624361 0.245812  0.235483     0.449881 0.100585     0.639265 0.367849     0.633234 0.673845 0.282206  0.748634 0.292412  
1 1 1 39 37 3  o 0.696702 0.267747  0.341727     0.526421 0.999962     0.86518  -0.0452121   0.663342 1.01642  0.350442  0.648636 0.280028  
1 1 1 39 37 4  o 2.44472  0.148098  6.02569      0.724117 6.96177      1.03747  5.1365       1.01115  2.61926  0.198046  2.24506  0.225194  
1 1 1 39 37 5  o 1.50593  0.219766  2.3099       0.661906 3.65236      0.934256 0.956925     0.937908 1.889    0.247288  1.01726  0.363462  
1 1 1 39 37 6  o 3.83714  0.103667  14.7862      0.795571 14.9207      1.12072  14.6496      1.12955  3.84664  0.145676  3.81098  0.148196  
1 1 1 39 37 7  o 2.96019  0.127112  8.81916      0.752551 8.22574      1.00663  9.57107      1.1331   2.85031  0.176582  3.07286  0.184372  
1 1 1 39 37 8  o 2.67126  0.13591   7.18868      0.726099 7.281        1.00461  7.0877       1.05066  2.67924  0.18748   2.64109  0.198906  
1 1 1 39 37 9  o 1.37309  0.266865  2.00414      0.706702 1.21148      0.998562 2.79956      1.0003   1.10047  0.376729  1.61189  0.321675  
1 1 1 39 37 10 o 1.83377  0.211876  3.4365       0.777063 3.42832      1.10306  3.44455      1.09485  1.78361  0.32091   1.81634  0.301391  
1 1 1 39 37 11 o 2.71479  0.150801  7.45452      0.81879  7.69733      1.19286  7.23819      1.12592  2.74201  0.217516  2.66064  0.211589  
1 1 1 39 37 12 o 1.92883  0.194828  3.79431      0.75158  4.42908      1.09483  3.22855      1.03361  2.06684  0.264855  1.73076  0.309799  
1 1 1 39 37 13 o 4.19815  0.108688  17.7426      0.912573 18.395       1.3567   17.2035      1.23326  4.25824  0.159303  4.12149  0.149613  
1 1 1 39 37 14 o 2.04948  0.196317  4.29536      0.804696 3.32935      1.12791  5.29677      1.14839  1.74353  0.335424  2.25899  0.254182  
1 1 1 39 37 15 o 2.28864  0.173487  5.33478      0.794098 4.56474      1.06922  6.28198      1.18586  2.09464  0.255228  2.46252  0.240782  
1 1 1 39 37 16 o 2.21607  0.178366  5.01352      0.790541 5.69729      1.13334  4.36559      1.10325  2.34212  0.241948  2.04082  0.270296  
1 1 1 39 37 17 o 1.33328  0.298461  1.95799      0.775878 1.92515      1.06959  1.99446      1.1272   1.30233  0.384507  1.32269  0.395669  
1 1 1 39 37 18 o 2.20322  0.19224   4.98964      0.847092 4.25923      1.13671  5.90187      1.27034  2.00379  0.283639  2.36582  0.268477  
1 1 1 39 37 19 o 1.31929  0.311664  1.93836      0.810264 3.27603      1.16307  0.676917     1.12944  1.70413  0.353136  0.963129 0.386002  
1 1 1 39 37 20 o 0.677166 0.287318  0.103635     0.677029 -0.509295    0.914272 0.84782      1.00742  0.660178 0.302836  0.969287 0.371003  
1 1 1 39 37 21 o 1.14316  0.31114   1.47816      0.730271 1.41346      1.01017  1.54898      1.05693  1.12244  0.378913  1.16521  0.387583  
1 1 1 39 37 22 f 0.693164 0.300728  0.0381466    0.772205 1.53466      1.11253  -1.35311     1.07269  1.14844  0.397253  0.610704 0.29448   
1 1 1 39 37 23 o 0.672378 0.300394  -0.158365    0.828251 -0.416251    1.19139  0.0828507    1.15224  0.759865 0.347364  0.823971 0.362367  
1 1 1 39 37 24 o 1.48133  0.275609  2.47859      0.786045 2.48686      1.12124  2.47059      1.10227  1.4107   0.386237  1.40909  0.381699  
1 1 1 39 37 25 o 2.13917  0.199308  4.86799      0.852707 5.04244      1.20234  4.69146      1.20952  2.11125  0.284745  2.0247   0.29869   
1 1 1 39 37 26 o 0.950624 0.34694   1.06645      0.858573 -0.21819     1.19986  2.41444      1.22908  0.75948  0.347775  1.3198   0.416904  
1 1 1 39 37 27 o 0.82387  0.333367  0.656883     0.853896 -0.668866    1.14711  2.30444      1.27878  0.67726  0.319647  1.25302  0.426323  
1 1 1 39 37 28 o 0.671328 0.30638   -0.0932724   0.922518 0.806941     1.28393  -1.05399     1.32638  0.887025 0.386346  0.668954 0.323553  
1 1 1 39 37 29 o 0.699103 0.312937  0.163669     0.902723 -1.12176     1.27442  1.4581       1.27888  0.641253 0.311966  0.985334 0.404694  
1 1 1 39 37 30 o 1.15697  0.385894  2.28658      1.04774  2.40887      1.4913   2.16738      1.47235  1.06395  0.437003  1.02364  0.428465  
1 1 1 39 37 31 o 0.963858 0.376569  1.63686      1.05031  1.21638      1.48694  2.05556      1.48379  0.862306 0.392304  0.982958 0.421455  
1 1 1 39 37 32 o 0.593074 0.285307  -0.20301     0.992431 1.45239      1.40651  -1.84437     1.40053  0.802039 0.370961  0.549313 0.277004  
1 1 1 39 38 0  o 1.06361  0.389356  1.53761      0.761672 1.53761      0.761672 1.53761      0.761672 1.15109  0.269456  ?        ?         
1 1 1 39 38 1  o 1.91372  0.132794  3.68786      0.508264 3.95018      0.724293 3.43336      0.713419 1.97442  0.183419  1.83931  0.193936  
1 1 1 39 38 2  o 2.17159  0.113037  4.73966      0.490939 5.40751      0.702682 4.10277      0.686196 2.31486  0.151776  2.01398  0.170358  
1 1 1 39 38 3  o 2.99524  0.114039  9.01783      0.683149 8.28924      0.987042 9.68776      0.946473 2.8622   0.172427  3.09815  0.152748  
1 1 1 39 38 4  o 2.50716  0.148659  6.34128      0.745423 7.87605      1.06995  4.89376      1.0391   2.78588  0.192031  2.18755  0.237502  
1 1 1 39 38 5  o 2.60268  0.135705  6.82402      0.70639  6.56206      0.979569 7.10783      1.01961  2.5426   0.192631  2.64622  0.192653  
1 1 1 39 38 6  o 2.20435  0.167611  4.91512      0.738945 4.80824      1.00822  5.03918      1.08618  2.16861  0.232457  2.21741  0.244922  
1 1 1 39 38 7  o 3.41801  0.12494   11.7634      0.854091 12.719       1.18931  10.7458      1.22732  3.54429  0.167779  3.25248  0.188674  
1 1 1 39 38 8  f 5.28028  0.103132  28.0254      1.08914  28.573       1.66048  27.612       1.44288  5.31415  0.156232  5.23074  0.137923  
1 1 1 39 38 9  o 2.56621  0.158646  6.66857      0.814239 6.9137       1.1228   6.39666      1.18254  2.59928  0.215983  2.4944   0.237039  
1 1 1 39 38 10 o 4.31562  0.113302  18.7464      0.977934 20.346       1.40585  17.2467      1.36125  4.48261  0.156811  4.12435  0.165026  
1 1 1 39 38 11 o 2.95621  0.135631  8.82668      0.80191  7.86675      1.16187  9.69993      1.10818  2.77172  0.209595  3.08743  0.179466  
1 1 1 39 38 12 o 1.9263   0.191933  3.78916      0.739442 4.70387      1.05743  2.91387      1.0344   2.13136  0.248066  1.63208  0.328438  
1 1 1 39 38 13 o 3.38809  0.124841  11.5853      0.845945 9.06175      1.19691  14.1042      1.19578  2.97471  0.201182  3.72716  0.160415  
1 1 1 39 38 14 o 0.918646 0.331554  0.789775     0.782204 0.305156     1.10879  1.26989      1.10363  0.887941 0.371755  1.11743  0.394765  
1 1 1 39 38 15 o 2.93238  0.140809  8.71185      0.825811 8.31332      1.1691   9.10871      1.16665  2.84362  0.205566  2.98035  0.195723  
1 1 1 39 38 16 o 3.22656  0.135471  10.5498      0.874213 10.8223      1.18965  10.23        1.28896  3.25045  0.182998  3.15094  0.204535  
1 1 1 39 38 17 o 1.28923  0.32149   1.8575       0.827049 1.64033      1.17562  2.07029      1.16372  1.21651  0.408766  1.34148  0.402178  
1 1 1 39 38 18 o 0.654729 0.296313  -0.343357    0.830926 -0.0500897   1.14639  -0.667962    1.20609  0.825835 0.362325  0.753388 0.346528  
1 1 1 39 38 19 o 0.728001 0.308448  0.144111     0.778471 0.506429     1.12837  -0.184983    1.07539  0.919452 0.379305  0.773471 0.344011  
1 1 1 39 38 20 o 0.501677 0.244293  -1.27893     0.786133 -3.08502     1.09028  0.67683      1.13456  0.490604 0.246868  0.952443 0.384731  
1 1 1 39 38 21 o 2.61394  0.157869  7.02086      0.825322 7.23057      1.19743  6.83109      1.13912  2.61404  0.229038  2.54391  0.223891  
1 1 1 39 38 22 o 0.746231 0.316626  0.211114     0.822216 0.105381     1.16924  0.314544     1.15644  0.833565 0.365816  0.866423 0.3718    
1 1 1 39 38 23 o 0.992382 0.333189  1.12156      0.781086 2.05055      1.14167  0.304055     1.07097  1.27873  0.401433  0.835416 0.358121  
1 1 1 39 38 24 o 1.26765  0.31138   1.90934      0.784783 1.51243      1.09385  2.33035      1.12658  1.10749  0.392833  1.34561  0.393772  
1 1 1 39 38 25 o 0.896249 0.350998  0.845955     0.913642 0.614409     1.27184  1.09285      1.31333  0.905416 0.389268  0.999962 0.410306  
1 1 1 39 38 26 o 1.38692  0.320679  2.37245      0.872433 2.8891       1.26993  1.91067      1.2006   1.4359   0.417395  1.17375  0.412035  
1 1 1 39 38 27 o 0.95112  0.345624  1.17395      0.851269 0.831041     1.17473  1.55312      1.2353   0.889495 0.377978  1.04099  0.408042  
1 1 1 39 38 28 o 1.06481  0.362855  1.63145      0.926366 1.21402      1.30095  2.06081      1.3194   0.947225 0.399906  1.1202   0.425797  
1 1 1 39 38 29 o 2.82876  0.188215  8.99032      1.06483  9.15648      1.5115   8.8266       1.50036  2.68225  0.28176   2.62553  0.285725  
1 1 1 39 38 30 f 2.06622  0.265524  5.49279      1.09726  4.96342      1.51583  6.07551      1.59038  1.6021   0.452937  1.83669  0.438401  
1 1 1 39 38 31 o 0.704183 0.322125  0.479667     1.02647  2.17757      1.45383  -1.20805     1.44947  0.943001 0.410916  0.610174 0.303469  
1 1 1 39 39 0  o 4.79847  0.1638    23.2315      1.56783  23.2315      1.56783  23.2315      1.56783  4.80915  0.115412  ?        ?         
1 1 1 39 39 1  o 2.89318  0.133503  8.45424      0.768752 8.45424      0.768752 8.45424      0.768752 2.90042  0.093932  ?        ?         
1 1 1 39 39 2  o 1.91098  0.190946  3.78669      0.713074 3.78669      0.713074 3.78669      0.713074 1.92903  0.132116  ?        ?         
1 1 1 39 39 3  o 1.5544   0.308172  2.72188      0.850621 2.72188      0.850621 2.72188      0.850621 1.61001  0.19308   ?        ?         
1 1 1 39 39 4  o 2.36787  0.231716  5.83099      1.07323  5.83099      1.07323  5.83099      1.07323  2.39204  0.160279  ?        ?         
1 1 1 39 39 5  o 2.19458  0.240874  5.05089      1.02817  5.05089      1.02817  5.05089      1.02817  2.22209  0.165709  ?        ?         
1 1 1 39 39 6  o 3.43218  0.179842  11.9703      1.22676  11.9703      1.22676  11.9703      1.22676  3.44616  0.126242  ?        ?         
1 1 1 39 39 7  o 1.68222  0.380676  3.30601      1.115    3.30601      1.115    3.30601      1.115    1.76284  0.232675  ?        ?         
1 1 1 39 39 8  o 0.983107 0.479777  1.50563      1.1029   1.50563      1.1029   1.50563      1.1029   1.03745  0.398954  ?        ?         
1 1 1 39 39 9  o 3.75203  0.16494   14.2611      1.23228  14.2611      1.23228  14.2611      1.23228  3.76426  0.11599   ?        ?         
1 1 1 39 39 10 f 4.50829  0.160448  20.5497      1.44254  20.5497      1.44254  20.5497      1.44254  4.52075  0.112976  ?        ?         
1 1 1 39 39 11 o 1.09168  0.46335   1.76734      1.01981  1.76734      1.01981  1.76734      1.01981  1.1865   0.350021  ?        ?         
1 1 1 39 39 12 o 2.1291   0.258649  4.81624      1.06464  4.81624      1.06464  4.81624      1.06464  2.16338  0.176703  ?        ?         
1 1 1 39 39 13 o 2.46896  0.244408  6.38319      1.17973  6.38319      1.17973  6.38319      1.17973  2.49853  0.168703  ?        ?         
1 1 1 39 39 14 o 3.02593  0.202261  9.40207      1.21151  9.40207      1.21151  9.40207      1.21151  3.04638  0.141296  ?        ?         
1 1 1 39 39 15 o 0.623775 0.406166  0.0958614    1.18585  0.0958614    1.18585  0.0958614    1.18585  0.535735 0.346109  ?        ?         
1 1 1 39 39 16 o 0.670202 0.420141  0.406561     1.13708  0.406561     1.13708  0.406561     1.13708  0.600228 0.365276  ?        ?         
1 1 1 39 39 17 o 0.558931 0.376425  -0.290814    1.16557  -0.290814    1.16557  -0.290814    1.16557  0.460693 0.312347  ?        ?         
1 1 1 39 39 18 o 4.69102  0.168083  22.3607      1.57237  22.3607      1.57237  22.3607      1.57237  4.70999  0.118197  ?        ?         
1 1 1 39 39 19 o 1.17692  0.479045  2.07483      1.10195  2.07483      1.10195  2.07483      1.10195  1.29646  0.348459  ?        ?         
1 1 1 39 39 20 o 0.715269 0.443372  0.606146     1.22962  0.606146     1.22962  0.606146     1.22962  0.659792 0.390272  ?        ?         
1 1 1 39 39 21 o 2.66774  0.227755  7.48833      1.1948   7.48833      1.1948   7.48833      1.1948   2.703    0.157504  ?        ?         
1 1 1 39 39 22 o 3.11013  0.200049  10.0394      1.23255  10.0394      1.23255  10.0394      1.23255  3.13962  0.139423  ?        ?         
1 1 1 39 39 23 o 0.667106 0.417913  0.522214     1.12266  0.522214     1.12266  0.522214     1.12266  0.614463 0.368609  ?        ?         
1 1 1 39 39 24 o 2.21424  0.299121  5.51745      1.27089  5.51745      1.27089  5.51745      1.27089  2.28509  0.200168  ?        ?         
1 1 1 39 39 25 o 1.03852  0.510268  1.9684       1.2509   1.9684       1.2509   1.9684       1.2509   1.15989  0.417556  ?        ?         
1 1 1 39 39 26 o 0.578321 0.389835  -0.0166284   1.25517  -0.0166284   1.25517  -0.0166284   1.25517  0.500666 0.33465   ?        ?         
1 1 1 39 39 27 o 0.860292 0.484885  1.53321      1.25545  1.53321      1.25545  1.53321      1.25545  0.930313 0.432738  ?        ?         
1 1 1 39 39 28 o 1.44514  0.489511  3.29632      1.26364  3.29632      1.26364  3.29632      1.26364  1.65735  0.29856   ?        ?         
1 1 1 39 39 29 o 0.458005 0.331597  -1.33919     1.43598  -1.33919     1.43598  -1.33919     1.43598  0.372345 0.270781  ?        ?         
1 1 1 39 39 30 o 1.21428  0.563669  3.31717      1.50586  3.31717      1.50586  3.31717      1.50586  1.5153   0.407405  ?        ?         
1 1 1 40 0  0  o 22.2176  0.311136  494.405      13.8193  494.405      13.8193  494.405      13.8193  22.2264  0.219871  ?        ?         
1 1 1 40 0  1  o 9.54996  0.111789  91.251       2.1345   91.251       2.1345   91.251       2.1345   9.55125  0.0790239 ?        ?         
1 1 1 40 0  2  o 9.07081  0.114773  82.3304      2.08142  82.3304      2.08142  82.3304      2.08142  9.07221  0.0811296 ?        ?         
1 1 1 40 0  3  o 11.4365  0.12448   130.862      2.84649  130.862      2.84649  130.862      2.84649  11.438   0.0879977 ?        ?         
1 1 1 40 0  4  o 2.81576  0.127479  7.97851      0.714552 7.97851      0.714552 7.97851      0.714552 2.82023  0.0897849 ?        ?         
1 1 1 40 0  5  o 20.0771  0.204502  403.397      8.20972  403.397      8.20972  403.397      8.20972  20.0809  0.144561  ?        ?         
1 1 1 40 0  6  o 12.4394  0.13794   154.827      3.43081  154.827      3.43081  154.827      3.43081  12.4412  0.0975105 ?        ?         
1 1 1 40 0  7  f 4.56934  0.102254  20.9126      0.933409 20.9126      0.933409 20.9126      0.933409 4.57119  0.0722342 ?        ?         
1 1 1 40 0  8  o 24.018   0.271623  577.593      13.044   577.593      13.044   577.593      13.044   24.0256  0.191979  ?        ?         
1 1 1 40 0  9  o 3.89278  0.136819  15.2134      1.06223  15.2134      1.06223  15.2134      1.06223  3.89662  0.0965133 ?        ?         
1 1 1 40 0  10 o 7.74195  0.106008  59.9807      1.64072  59.9807      1.64072  59.9807      1.64072  7.74333  0.0749297 ?        ?         
1 1 1 40 0  11 o 28.3545  0.274352  805.083      15.5549  805.083      15.5549  805.083      15.5549  28.3642  0.193909  ?        ?         
1 1 1 40 0  12 o 6.86229  0.108288  47.135       1.48538  47.135       1.48538  47.135       1.48538  6.86389  0.0765321 ?        ?         
1 1 1 40 0  13 o 1.96665  0.253118  4.06073      0.958606 4.06073      0.958606 4.06073      0.958606 1.99234  0.173117  ?        ?         
1 1 1 40 0  14 o 0.609658 0.373735  0.336058     0.854982 0.336058     0.854982 0.336058     0.854982 0.544791 0.323983  ?        ?         
1 1 1 40 0  15 o 2.34739  0.22377   5.66554      1.02862  5.66554      1.02862  5.66554      1.02862  2.36436  0.155353  ?        ?         
1 1 1 40 0  16 o 4.26873  0.13105   18.2823      1.11644  18.2823      1.11644  18.2823      1.11644  4.27227  0.0924896 ?        ?         
1 1 1 40 0  17 o 7.29838  0.110688  53.3239      1.61486  53.3239      1.61486  53.3239      1.61486  7.30034  0.0782272 ?        ?         
1 1 1 40 0  18 o 5.88662  0.109053  34.7032      1.28291  34.7032      1.28291  34.7032      1.28291  5.88877  0.0770537 ?        ?         
1 1 1 40 0  19 f 0.555109 0.357288  0.0708683    0.881097 0.0708683    0.881097 0.0708683    0.881097 0.47233  0.302679  ?        ?         
1 1 1 40 0  20 o 6.87719  0.110049  47.363       1.51278  47.363       1.51278  47.363       1.51278  6.87964  0.0777662 ?        ?         
1 1 1 40 0  21 o 6.4059   0.115535  41.1093      1.47913  41.1093      1.47913  41.1093      1.47913  6.40877  0.0816292 ?        ?         
1 1 1 40 0  22 o 1.09632  0.440558  1.6851       0.935596 1.6851       0.935596 1.6851       0.935596 1.18218  0.324108  ?        ?         
1 1 1 40 0  23 o 2.00274  0.24008   4.19909      0.930353 4.19909      0.930353 4.19909      0.930353 2.02712  0.164769  ?        ?         
1 1 1 40 0  24 o 4.53806  0.12813   20.6756      1.16083  20.6756      1.16083  20.6756      1.16083  4.54257  0.0904298 ?        ?         
1 1 1 40 0  25 o 1.47904  0.392841  2.62577      1.00162  2.62577      1.00162  2.62577      1.00162  1.56162  0.244727  ?        ?         
1 1 1 40 0  26 o 2.13653  0.240215  4.76697      0.996895 4.76697      0.996895 4.76697      0.996895 2.16098  0.165325  ?        ?         
1 1 1 40 0  27 o 4.31884  0.156423  18.7924      1.34711  18.7924      1.34711  18.7924      1.34711  4.32699  0.110233  ?        ?         
1 1 1 40 0  28 o 2.84594  0.230217  8.32744      1.29064  8.32744      1.29064  8.32744      1.29064  2.8662   0.160352  ?        ?         
1 1 1 40 0  29 o 3.62935  0.185259  13.3546      1.33674  13.3546      1.33674  13.3546      1.33674  3.64192  0.130146  ?        ?         
1 1 1 40 0  30 o 7.74529  0.151727  60.3352      2.34831  60.3352      2.34831  60.3352      2.34831  7.75637  0.107087  ?        ?         
1 1 1 40 0  31 o 0.904395 0.473342  1.27359      1.1127   1.27359      1.1127   1.27359      1.1127   0.926441 0.408027  ?        ?         
1 1 1 40 0  32 o 1.42746  0.457204  2.67142      1.14719  2.67142      1.14719  2.67142      1.14719  1.54259  0.294417  ?        ?         
1 1 1 40 0  33 o 2.22116  0.288199  5.30046      1.232    5.30046      1.232    5.30046      1.232    2.26381  0.195778  ?        ?         
1 1 1 40 0  34 o 0.697035 0.4358    0.466362     1.21334  0.466362     1.21334  0.466362     1.21334  0.627803 0.379814  ?        ?         
1 1 1 40 0  35 o 0.599506 0.399808  -0.137035    1.24978  -0.137035    1.24978  -0.137035    1.24978  0.503165 0.335719  ?        ?         
1 1 1 40 0  36 o 2.68499  0.257573  7.64137      1.35393  7.64137      1.35393  7.64137      1.35393  2.72592  0.177327  ?        ?         
1 1 1 40 0  37 o 0.626602 0.413842  0.0711368    1.28603  0.0711368    1.28603  0.0711368    1.28603  0.540452 0.353428  ?        ?         
1 1 1 40 0  38 o 1.92687  0.415495  4.56097      1.40375  4.56097      1.40375  4.56097      1.40375  2.04697  0.250975  ?        ?         
1 1 1 40 0  39 o 1.35069  0.561826  3.10016      1.50602  3.10016      1.50602  3.10016      1.50602  1.55285  0.397312  ?        ?         
1 1 1 40 0  40 o 0.78485  0.487568  1.13482      1.49325  1.13482      1.49325  1.13482      1.49325  0.77834  0.442482  ?        ?         
1 1 1 40 0  41 o 1.16637  0.589645  3.03081      1.69006  3.03081      1.69006  3.03081      1.69006  1.39371  0.477942  ?        ?         
1 1 1 40 0  42 o 0.66867  0.456974  0.706366     1.81625  0.706366     1.81625  0.706366     1.81625  0.637499 0.418157  ?        ?         
1 1 1 40 0  43 o 0.528087 0.378391  -0.403261    1.67023  -0.403261    1.67023  -0.403261    1.67023  0.463735 0.329115  ?        ?         
1 1 1 40 1  0  o 16.3241  0.17299   266.65       5.6464   266.65       5.6464   266.65       5.6464   16.3267  0.122287  ?        ?         
1 1 1 40 1  1  f 11.2425  0.0859609 126.414      1.93284  125.997      2.69368  126.856      2.77502  11.2231  0.120006  11.2612  0.123211  
1 1 1 40 1  2  o 16.9685  0.122179  288.022      4.1464   286.741      6.05427  289.154      5.69041  16.9277  0.178828  16.9995  0.16737   
1 1 1 40 1  3  o 10.0466  0.0802097 100.949      1.61168  99.8135      2.25705  102.13       2.30212  9.9893   0.112974  10.1045  0.113915  
1 1 1 40 1  4  o 4.53718  0.0679673 20.5881      0.61676  20.5548      0.892483 20.6185      0.853296 4.53326  0.0984372 4.54033  0.0939686 
1 1 1 40 1  5  o 20.2405  0.147676  409.874      5.97809  406.928      8.29791  413.053      8.61986  20.1631  0.20577   20.3136  0.212169  
1 1 1 40 1  6  o 21.4672  0.160381  461.108      6.88588  458.391      9.58075  464.012      9.90347  21.3979  0.223871  21.528   0.230013  
1 1 1 40 1  7  o 28.8589  0.22853   833.863      13.1903  843.237      18.3181  823.768      19.0088  29.0042  0.315782  28.664   0.33158   
1 1 1 40 1  8  o 19.9454  0.148516  398.035      5.92441  394.79       8.55224  401.03       8.21472  19.8578  0.215337  20.0152  0.205212  
1 1 1 40 1  9  o 7.19355  0.073498  51.7546      1.05742  52.7696      1.5521   50.8754      1.44453  7.26317  0.106847  7.13172  0.101275  
1 1 1 40 1  10 o 16.6775  0.123447  278.26       4.11758  277.141      5.67406  279.504      5.9846   16.6407  0.170488  16.7108  0.179064  
1 1 1 40 1  11 o 2.27759  0.129047  5.19007      0.587831 5.64735      0.815387 4.69521      0.848223 2.37535  0.171636  2.16557  0.195843  
1 1 1 40 1  12 o 7.19736  0.0792746 51.813       1.14114  51.444       1.6109   52.1847      1.61673  7.17091  0.112322  7.22237  0.111926  
1 1 1 40 1  13 o 5.86753  0.0796331 34.4366      0.9345   35.5983      1.45031  33.6118      1.22199  5.96468  0.121575  5.79629  0.105412  
1 1 1 40 1  14 o 13.8556  0.105177  192.076      2.91459  189.534      4.08707  194.706      4.15754  13.7601  0.148511  13.9466  0.149053  
1 1 1 40 1  15 o 7.75237  0.0809023 60.1197      1.25437  60.2339      1.72839  59.9927      1.8233   7.75855  0.111386  7.74271  0.117743  
1 1 1 40 1  16 o 11.0005  0.0935718 121.073      2.05867  122.317      2.84765  119.711      2.97963  11.0543  0.128803  10.9353  0.136239  
1 1 1 40 1  17 o 2.78726  0.119016  7.77619      0.663456 7.99691      0.95016  7.56619      0.926813 2.82516  0.16816   2.74801  0.168633  
1 1 1 40 1  18 o 5.38915  0.0794955 29.0574      0.856827 30.0294      1.23915  28.167       1.18607  5.47711  0.113121  5.30461  0.111796  
1 1 1 40 1  19 o 2.53218  0.132936  6.42311      0.673237 6.35433      0.924079 6.50091      0.982836 2.51663  0.183594  2.54505  0.193088  
1 1 1 40 1  20 o 2.40882  0.138962  5.81494      0.669472 6.2793       0.937543 5.33182      0.956289 2.50095  0.187437  2.30354  0.20757   
1 1 1 40 1  21 o 5.54352  0.081574  30.7571      0.904413 30.5182      1.29996  30.9813      1.25909  5.51935  0.117764  5.56145  0.113198  
1 1 1 40 1  22 o 2.50467  0.135282  6.29036      0.677674 6.6989       0.972872 5.90528      0.944509 2.58139  0.18844   2.42322  0.194887  
1 1 1 40 1  23 o 4.97272  0.085892  24.7594      0.854234 25.4645      1.20547  24.0482      1.21068  5.03998  0.119591  4.8974   0.123605  
1 1 1 40 1  24 o 3.75421  0.100846  14.1226      0.757193 13.6024      1.06347  14.6575      1.07835  3.68053  0.144472  3.82098  0.141109  
1 1 1 40 1  25 o 2.01072  0.175248  4.07061      0.70475  4.27526      0.97794  3.8495       1.01651  2.05484  0.23796   1.9474   0.260993  
1 1 1 40 1  26 o 0.702206 0.295767  0.0739342    0.708867 1.65259      1.02018  -1.39978     0.985687 1.25386  0.37669   0.594348 0.285534  
1 1 1 40 1  27 o 2.18663  0.193912  4.83572      0.848028 4.57188      1.20517  5.09447      1.1935   2.11241  0.285258  2.23316  0.267223  
1 1 1 40 1  28 o 3.53274  0.132867  12.5576      0.938771 12.2766      1.33726  12.8306      1.31819  3.48117  0.192071  3.56049  0.185114  
1 1 1 40 1  29 f 3.11347  0.14489   9.769        0.902218 8.79576      1.28268  10.722       1.26929  2.93981  0.218157  3.25145  0.195188  
1 1 1 40 1  30 o 4.35226  0.124432  19.0625      1.08312  17.5305      1.4719   20.8718      1.5996   4.16003  0.17691   4.53943  0.176189  
1 1 1 40 1  31 o 1.56934  0.250804  2.54158      0.787193 1.87444      1.11224  3.21116      1.11428  1.30612  0.393507  1.71791  0.336305  
1 1 1 40 1  32 o 1.90783  0.21632   3.73966      0.825405 4.60085      1.17807  2.90927      1.15681  2.09694  0.280903  1.61488  0.366488  
1 1 1 40 1  33 o 2.78338  0.16169   7.88146      0.900091 7.65239      1.28868  8.09966      1.25773  2.71594  0.237243  2.79941  0.224642  
1 1 1 40 1  34 o 1.54773  0.296873  2.62447      0.886176 3.82626      1.25384  1.42495      1.25265  1.84789  0.351924  1.16634  0.419711  
1 1 1 40 1  35 o 1.44078  0.318449  2.33354      0.89314  2.65992      1.25484  1.99843      1.27151  1.49787  0.407935  1.30714  0.42511   
1 1 1 40 1  36 o 2.99181  0.162393  9.2038       0.971702 9.87206      1.38777  8.56107      1.36101  3.05888  0.226843  2.83997  0.239617  
1 1 1 40 1  37 o 2.11563  0.223109  4.75607      0.944035 4.71526      1.33564  4.7968       1.33449  2.03781  0.327714  2.05796  0.324228  
1 1 1 40 1  38 o 0.949786 0.353534  0.994366     0.897642 1.38482      1.29632  0.63468      1.2442   1.08187  0.419237  0.922299 0.390318  
1 1 1 40 1  39 o 1.65916  0.322158  3.35283      1.03087  2.35537      1.40595  4.51254      1.516    1.27204  0.445944  1.81402  0.424876  
1 1 1 40 1  40 o 0.823447 0.350922  0.618197     1.01777  0.439642     1.37067  0.83763      1.51949  0.848464 0.382461  0.921868 0.409543  
1 1 1 40 1  41 o 0.745234 0.342508  0.101058     1.17572  -1.05704     1.65786  1.27286      1.66764  0.723724 0.352838  0.952477 0.42587   
1 1 1 40 1  42 o 0.622274 0.303585  -0.760364    1.23498  -0.302762    1.79977  -1.16756     1.69775  0.737262 0.361159  0.671509 0.333207  
1 1 1 40 1  43 o 0.668719 0.32064   0.221516     1.22799  2.18216      1.6923   -1.95895     1.78465  0.856674 0.400313  0.597713 0.302196  
1 1 1 40 2  0  o 11.4751  0.13241   131.756      3.03793  131.756      3.03793  131.756      3.03793  11.4768  0.0936    ?        ?         
1 1 1 40 2  1  o 16.0176  0.117238  256.64       3.75574  256.524      5.43932  256.746      5.19213  16.0114  0.169858  16.0187  0.162064  
1 1 1 40 2  2  o 3.25342  0.0827042 10.5863      0.538143 10.7515      0.748364 10.4094      0.774402 3.27848  0.114133  3.22585  0.120031  
1 1 1 40 2  3  o 8.10276  0.0693589 65.6616      1.124    65.9184      1.59255  65.4066      1.58661  8.11816  0.0980855 8.08658  0.0981016 
1 1 1 40 2  4  o 17.7052  0.129987  313.592      4.6029   313.326      6.58648  313.847      6.43512  17.6942  0.18612   17.7092  0.181688  
1 1 1 40 2  5  o 4.99764  0.0710859 24.9793      0.710523 25.643       0.994639 24.2876      1.01534  5.06333  0.0982198 4.92765  0.103025  
1 1 1 40 2  6  o 2.66913  0.101315  7.12599      0.540845 6.50299      0.732437 7.87301      0.802034 2.54947  0.143645  2.80521  0.142954  
1 1 1 40 2  7  o 5.48362  0.0708548 30.0738      0.777082 30.5972      1.09944  29.5514      1.09848  5.53079  0.0993926 5.43543  0.101048  
1 1 1 40 2  8  o 8.16119  0.077003  66.6154      1.25687  65.2375      1.84881  67.7994      1.71383  8.07559  0.114469  8.23287  0.104084  
1 1 1 40 2  9  o 4.85144  0.0746937 23.5401      0.724743 23.7534      1.00906  23.3127      1.04159  4.87302  0.103536  4.82754  0.10788   
1 1 1 40 2  10 o 6.44614  0.0741909 41.5595      0.95649  42.2514      1.34104  40.843       1.36463  6.49908  0.103171  6.38977  0.106783  
1 1 1 40 2  11 o 9.68491  0.0900492 93.8219      1.74424  94.6854      2.57226  93.0869      2.3732   9.72792  0.13221   9.64582  0.123017  
1 1 1 40 2  12 o 4.91147  0.084349  24.1288      0.828555 24.708       1.24928  23.6739      1.10707  4.96927  0.125701  4.86443  0.113793  
1 1 1 40 2  13 o 13.2968  0.103871  176.886      2.76231  174.692      3.88527  179.128      3.92806  13.2109  0.147048  13.3776  0.146815  
1 1 1 40 2  14 o 4.66926  0.0862016 21.8098      0.804995 20.9957      1.15202  22.5867      1.12532  4.58034  0.125757  4.75092  0.118432  
1 1 1 40 2  15 o 11.7674  0.0985628 138.545      2.31965  139.144      3.19434  137.877      3.37398  11.79    0.135469  11.7355  0.143751  
1 1 1 40 2  16 o 1.66013  0.193612  2.76243      0.642841 2.94624      0.890017 2.56195      0.929498 1.71285  0.259805  1.56951  0.307062  
1 1 1 40 2  17 o 4.75553  0.0841823 22.6265      0.800663 22.0397      1.11891  23.2424      1.14621  4.69224  0.119229  4.81857  0.118936  
1 1 1 40 2  18 o 10.7925  0.0934224 116.565      2.01652  117.172      2.81423  115.923      2.8909   10.8168  0.130086  10.7585  0.134354  
1 1 1 40 2  19 o 16.4376  0.121523  270.612      3.99509  275.577      5.64116  265.616      5.65869  16.5757  0.170164  16.2723  0.173875  
1 1 1 40 2  20 o 2.78982  0.12192   7.79654      0.680272 7.70458      0.980388 7.88192      0.944704 2.77066  0.176923  2.80284  0.168526  
1 1 1 40 2  21 o 1.92945  0.169675  3.73747      0.654762 2.76414      0.934789 4.67493      0.917401 1.62767  0.298274  2.15548  0.212807  
1 1 1 40 2  22 o 4.10108  0.0933798 16.8415      0.765917 17.3164      1.0757   16.353       1.0908   4.15589  0.129418  4.03816  0.135062  
1 1 1 40 2  23 o 7.61282  0.082966  58.0269      1.26321  58.326       1.7622   57.7107      1.81173  7.62795  0.115509  7.58698  0.119397  
1 1 1 40 2  24 o 4.6999   0.0927595 22.1278      0.87192  21.8054      1.19891  22.4898      1.27035  4.66181  0.128588  4.7337   0.134182  
1 1 1 40 2  25 o 1.80317  0.190163  3.27869      0.685794 3.21065      0.942914 3.3551       0.999255 1.77742  0.265247  1.81586  0.275146  
1 1 1 40 2  26 o 2.30507  0.167506  5.35464      0.772224 5.83454      1.10054  4.88922      1.08383  2.3982   0.229452  2.19285  0.247128  
1 1 1 40 2  27 o 3.74803  0.119393  14.1101      0.894981 15.0673      1.28046  13.1959      1.25143  3.86509  0.165644  3.61569  0.173056  
1 1 1 40 2  28 o 1.66037  0.259784  2.824        0.862676 3.85179      1.31069  2.03846      1.14587  1.89123  0.359495  1.37124  0.395801  
1 1 1 40 2  29 o 3.79004  0.126763  14.4532      0.960873 13.2685      1.36886  15.6039      1.34911  3.61772  0.189188  3.9279   0.171734  
1 1 1 40 2  30 o 0.703875 0.309666  -0.164524    0.842099 0.569565     1.14448  -1.03112     1.24349  0.966983 0.38814   0.736589 0.34379   
1 1 1 40 2  31 o 3.52615  0.126734  12.5388      0.893763 12.8884      1.28602  12.2121      1.24302  3.55955  0.180644  3.46531  0.179351  
1 1 1 40 2  32 o 0.799248 0.324234  0.343772     0.810646 1.46137      1.15824  -0.729367    1.13497  1.17999  0.405605  0.726795 0.335041  
1 1 1 40 2  33 o 1.15955  0.33911   1.48708      0.835771 1.45984      1.20821  1.51207      1.15735  1.17628  0.413299  1.18578  0.405577  
1 1 1 40 2  34 o 0.60587  0.283606  -0.721478    0.85525  -1.83341     1.20049  0.424483     1.21873  0.625547 0.303839  0.934441 0.390389  
1 1 1 40 2  35 o 2.07568  0.217712  4.48826      0.903801 5.17484      1.27847  3.80232      1.27786  2.19427  0.29132   1.82349  0.36327   
1 1 1 40 2  36 f 0.837191 0.342907  0.459612     0.915676 0.0400138    1.28187  0.896802     1.30846  0.859937 0.37983   1.01909  0.412542  
1 1 1 40 2  37 o 1.96029  0.239259  4.12794      0.938037 3.76697      1.30465  4.51425      1.34967  1.75799  0.381761  1.94904  0.359755  
1 1 1 40 2  38 o 0.738203 0.322515  0.123601     0.900451 0.554027     1.29454  -0.279848    1.25332  0.912002 0.392429  0.776384 0.355484  
1 1 1 40 2  39 o 1.12732  0.382714  1.68411      1.03054  2.75578      1.45121  0.593934     1.46368  1.35976  0.454158  0.924778 0.407506  
1 1 1 40 2  40 f 0.8247   0.355981  0.609707     1.07166  1.2399       1.45551  -0.13638     1.58369  0.970046 0.416719  0.807576 0.379516  
1 1 1 40 2  41 o 0.875752 0.37774   1.02208      1.20498  -0.0641928   1.67244  2.19467      1.73762  0.790376 0.377818  1.05174  0.453628  
1 1 1 40 2  42 o 0.59269  0.291928  -1.12873     1.21917  -1.44538     1.77203  -0.844125    1.67997  0.670453 0.333738  0.69248  0.341055  
1 1 1 40 3  0  o 27.1844  0.287728  739.908      15.6394  739.908      15.6394  739.908      15.6394  27.1928  0.203366  ?        ?         
1 1 1 40 3  1  o 14.0782  0.106095  198.246      2.98727  198.883      4.397    197.699      4.07107  14.0988  0.155935  14.0573  0.144803  
1 1 1 40 3  2  o 10.5325  0.0915733 110.955      1.929    111.418      2.69997  110.472      2.75696  10.5536  0.127917  10.5085  0.131177  
1 1 1 40 3  3  o 3.09253  0.0886689 9.56545      0.548423 8.74743      0.766761 10.4223      0.784726 2.95704  0.12965   3.22781  0.121557  
1 1 1 40 3  4  o 6.08327  0.0728062 37.0108      0.8858   36.9874      1.19681  37.0391      1.31726  6.08104  0.0984049 6.08515  0.108236  
1 1 1 40 3  5  o 9.47259  0.0845629 89.7453      1.60206  87.059       2.15826  93.0418      2.39087  9.32905  0.115674  9.64404  0.123956  
1 1 1 40 3  6  o 6.62277  0.0682366 43.8662      0.903832 45.1203      1.30926  42.7243      1.24927  6.71637  0.0974678 6.53564  0.0955738 
1 1 1 40 3  7  o 6.08859  0.0672318 37.0753      0.818693 36.8554      1.16121  37.2926      1.15443  6.07014  0.0956493 6.10605  0.094532  
1 1 1 40 3  8  o 12.2687  0.0945625 150.559      2.32032  149.077      3.22691  152.145      3.33881  12.2068  0.132177  12.3316  0.135376  
1 1 1 40 3  9  o 12.3629  0.0933068 152.88       2.30708  150.771      3.19368  155.181      3.33642  12.2759  0.13008   12.4539  0.133951  
1 1 1 40 3  10 o 5.51923  0.0824306 30.4684      0.909907 30.7254      1.3254   30.2392      1.2514   5.54181  0.119581  5.49791  0.113807  
1 1 1 40 3  11 o 5.92695  0.0813962 35.1368      0.964861 34.5115      1.44461  35.6403      1.29643  5.87311  0.122985  5.96873  0.108602  
1 1 1 40 3  12 o 3.42386  0.0934641 11.7269      0.640016 12.7601      0.900222 10.6709      0.910097 3.57099  0.126047  3.26536  0.139356  
1 1 1 40 3  13 o 6.91915  0.0740784 47.8867      1.02512  48.1623      1.50274  47.6469      1.40197  6.93802  0.108297  6.90102  0.101577  
1 1 1 40 3  14 o 9.48783  0.0871952 90.0543      1.65459  89.0543      2.40011  90.9598      2.28408  9.43293  0.12722   9.53376  0.119789  
1 1 1 40 3  15 f 5.309    0.0847608 28.1973      0.899991 27.8415      1.23401  28.6015      1.31545  5.27441  0.116981  5.34569  0.123038  
1 1 1 40 3  16 o 14.115   0.110002  199.39       3.10536  197.359      4.17296  201.91       4.64875  14.0382  0.148629  14.1969  0.163724  
1 1 1 40 3  17 o 6.46912  0.081372  41.8705      1.05281  42.6326      1.50937  41.1485      1.46923  6.52601  0.115643  6.41147  0.114579  
1 1 1 40 3  18 o 3.72294  0.0956769 13.872       0.7124   12.6114      1.01483  15.0968      1.0003   3.5479   0.143019  3.88249  0.128821  
1 1 1 40 3  19 o 19.3668  0.136912  375.835      5.30311  377.486      7.44333  374.132      7.55742  19.3905  0.191932  19.3026  0.195761  
1 1 1 40 3  20 o 8.38812  0.0822814 70.419       1.38037  71.7276      1.94648  69.0952      1.95786  8.46233  0.115008  8.30525  0.117869  
1 1 1 40 3  21 o 5.97198  0.081767  35.6984      0.976622 36.2387      1.38692  35.167       1.37545  6.01416  0.115305  5.92449  0.116082  
1 1 1 40 3  22 o 3.01604  0.11613   9.11633      0.700505 9.79301      0.986869 8.42913      0.994503 3.12302  0.157999  2.89634  0.171683  
1 1 1 40 3  23 o 3.17921  0.112164  10.1313      0.713186 10.9662      1.00042  9.26844      1.01698  3.30441  0.151377  3.03641  0.167463  
1 1 1 40 3  24 o 5.28166  0.0871514 27.9403      0.920608 28.8578      1.29694  27.0086      1.30699  5.3638   0.120898  5.18843  0.125952  
1 1 1 40 3  25 o 1.37572  0.247503  1.97787      0.656188 2.95859      0.933984 1.02192      0.92211  1.70461  0.273958  1.04256  0.361562  
1 1 1 40 3  26 o 4.37651  0.109843  19.2198      0.961458 19.9175      1.36811  18.539       1.35145  4.44803  0.153789  4.29064  0.157488  
1 1 1 40 3  27 o 4.92996  0.102698  24.3869      1.0126   24.3897      1.44003  24.3842      1.42415  4.92145  0.146302  4.92126  0.144694  
1 1 1 40 3  28 o 3.13223  0.150582  9.89078      0.943317 10.2145      1.43593  9.64501      1.25118  3.16668  0.226725  3.08274  0.202933  
1 1 1 40 3  29 o 3.54197  0.134641  12.6356      0.95379  12.2732      1.31711  13.0352      1.38302  3.47869  0.189312  3.58407  0.19294   
1 1 1 40 3  30 o 1.15026  0.339617  1.42504      0.834415 3.04276      1.16332  -0.289146    1.1975   1.6645   0.359655  0.820324 0.364109  
1 1 1 40 3  31 o 1.34872  0.303272  1.97984      0.798152 2.76414      1.14699  1.24349      1.11137  1.57543  0.369937  1.11782  0.396021  
1 1 1 40 3  32 o 1.10121  0.339678  1.3122       0.822247 1.6155       1.16864  1.01484      1.15711  1.22231  0.407551  1.06132  0.400113  
1 1 1 40 3  33 o 1.4255   0.308236  2.24358      0.853893 3.28024      1.21695  1.23821      1.19844  1.70292  0.367759  1.11564  0.409629  
1 1 1 40 3  34 o 1.78418  0.247984  3.33381      0.884896 3.78712      1.25659  2.88785      1.24634  1.83538  0.354993  1.57799  0.395362  
1 1 1 40 3  35 o 1.99044  0.225455  4.14183      0.89751  5.35844      1.28343  2.97745      1.25557  2.23369  0.287288  1.58859  0.396102  
1 1 1 40 3  36 o 2.18289  0.211052  5.01201      0.921407 5.17011      1.29468  4.84975      1.31162  2.16381  0.299167  2.08539  0.314478  
1 1 1 40 3  37 o 1.15155  0.359139  1.59552      0.915773 1.1839       1.26713  2.04559      1.325    1.05471  0.413297  1.26547  0.433936  
1 1 1 40 3  38 o 1.30403  0.355066  2.14218      0.950785 1.93841      1.29226  2.38266      1.40389  1.19854  0.426792  1.30092  0.446611  
1 1 1 40 3  39 o 1.19088  0.376485  1.90098      1.00217  1.95482      1.46301  1.85337      1.37558  1.16044  0.446266  1.14269  0.434644  
1 1 1 40 3  40 o 0.792351 0.352863  0.396209     1.13473  -1.84015     1.65302  2.38916      1.56047  0.681559 0.335941  1.16283  0.457807  
1 1 1 40 3  41 o 0.94983  0.392826  1.53998      1.21473  2.51586      1.68291  0.478515     1.75516  1.07159  0.453744  0.825397 0.392156  
1 1 1 40 3  42 o 0.828825 0.369088  1.00854      1.24134  -0.355474    1.7382   2.42829      1.77336  0.731841 0.357665  0.998409 0.44313   
1 1 1 40 4  0  o 16.4339  0.189032  270.289      6.21119  270.289      6.21119  270.289      6.21119  16.4372  0.133619  ?        ?         
1 1 1 40 4  1  o 9.60868  0.0859449 92.3424      1.65163  92.2768      2.36189  92.4052      2.31049  9.6044   0.122959  9.61115  0.120198  
1 1 1 40 4  2  o 10.6278  0.0923275 112.973      1.96248  112.912      2.73942  113.037      2.81277  10.624   0.128926  10.6297  0.132307  
1 1 1 40 4  3  o 7.31612  0.0784657 53.5334      1.14813  53.0815      1.63807  53.9697      1.6097   7.2846   0.112434  7.34536  0.109572  
1 1 1 40 4  4  f 23.8932  0.184594  571.355      8.82108  564.719      12.3367  578.297      12.6178  23.7442  0.259783  24.0275  0.26257   
1 1 1 40 4  5  o 20.4296  0.153246  417.615      6.26153  411.761      8.849    423.485      8.8613   20.2797  0.218174  20.5667  0.215428  
1 1 1 40 4  6  o 21.0229  0.149924  442.22       6.30368  437.545      8.9393   446.845      8.89041  20.905   0.213808  21.1264  0.21041   
1 1 1 40 4  7  o 3.21285  0.0926321 10.3248      0.595225 11.6329      0.850405 9.06852      0.833404 3.40997  0.124694  3.0106   0.138411  
1 1 1 40 4  8  o 2.36504  0.120544  5.59575      0.570184 5.56613      0.830992 5.6221       0.783798 2.3582   0.176192  2.37016  0.165347  
1 1 1 40 4  9  o 12.0682  0.103065  145.689      2.48763  144.034      3.75065  146.989      3.32396  11.9969  0.156317  12.1204  0.137122  
1 1 1 40 4  10 o 4.45115  0.0852498 19.8175      0.758918 20.9288      1.14714  18.9526      1.01205  4.57359  0.125409  4.35247  0.116262  
1 1 1 40 4  11 o 2.74155  0.108078  7.51942      0.592603 6.67385      0.846165 8.33338      0.830196 2.58206  0.163855  2.88562  0.143851  
1 1 1 40 4  12 o 5.0953   0.0782639 25.969       0.797555 26.6813      1.14185  25.2905      1.11448  5.16399  0.110559  5.02759  0.110836  
1 1 1 40 4  13 o 14.0399  0.109366  197.234      3.07098  195.036      4.23874  199.661      4.4554   13.9577  0.151843  14.1215  0.157752  
1 1 1 40 4  14 o 12.4568  0.0964819 155.252      2.40372  154.296      3.33902  156.281      3.46311  12.4155  0.13447   12.4947  0.138584  
1 1 1 40 4  15 o 6.65482  0.0804977 44.3042      1.0714   42.7099      1.43754  46.2964      1.60694  6.53284  0.110024  6.80122  0.118136  
1 1 1 40 4  16 o 9.63463  0.0864687 92.8745      1.66619  91.2222      2.27252  94.7952      2.45019  9.54625  0.119027  9.73083  0.125898  
1 1 1 40 4  17 o 2.9448   0.114933  8.68124      0.676908 8.91842      0.978137 8.46326      0.937726 2.98307  0.163948  2.90605  0.16134   
1 1 1 40 4  18 o 10.2181  0.0877788 104.492      1.79387  105.656      2.58744  103.415      2.48925  10.2707  0.125962  10.1616  0.122483  
1 1 1 40 4  19 o 5.9078   0.0796105 34.927       0.940647 35.7179      1.37267  34.2268      1.29158  5.972    0.114926  5.84635  0.11046   
1 1 1 40 4  20 o 5.69999  0.0789618 32.5163      0.900163 32.1695      1.26921  32.8672      1.27687  5.66719  0.111979  5.72836  0.111452  
1 1 1 40 4  21 o 4.32624  0.0898803 18.7386      0.777687 18.7072      1.12041  18.7678      1.08031  4.31979  0.129684  4.32717  0.124829  
1 1 1 40 4  22 o 2.18844  0.149567  4.80755      0.654638 4.60711      0.913586 5.01908      0.938514 2.13805  0.213649  2.23188  0.210252  
1 1 1 40 4  23 o 2.24611  0.153328  5.06835      0.688785 4.73215      0.94353  5.45194      1.00782  2.16529  0.217876  2.32424  0.216807  
1 1 1 40 4  24 o 2.51656  0.136691  6.35877      0.687983 6.47431      0.949476 6.23104      0.998266 2.53489  0.187282  2.48541  0.200825  
1 1 1 40 4  25 o 3.67689  0.107316  13.5594      0.789178 13.1647      1.07283  14.0247      1.16499  3.61821  0.148254  3.7334   0.156023  
1 1 1 40 4  26 o 4.06507  0.107818  16.5814      0.876576 16.3984      1.26087  16.7526      1.2195   4.0351   0.156238  4.07966  0.14946   
1 1 1 40 4  27 o 3.18303  0.13185   10.1909      0.839365 10.368       1.23592  10.0392      1.14354  3.19972  0.193129  3.15089  0.181463  
1 1 1 40 4  28 o 2.87959  0.15448   8.36275      0.88968  8.05563      1.31727  8.62036      1.20642  2.81051  0.234346  2.91358  0.207034  
1 1 1 40 4  29 o 1.79795  0.238968  3.30645      0.859308 3.96544      1.15296  2.48297      1.28885  1.95745  0.294505  1.49962  0.415621  
1 1 1 40 4  30 o 0.658946 0.295091  -0.296775    0.803483 -0.415392    1.13482  -0.17754     1.13778  0.776422 0.349104  0.81646  0.359569  
1 1 1 40 4  31 o 1.90879  0.212609  3.73748      0.81165  2.90801      1.16838  4.5111       1.12836  1.61476  0.369593  2.08054  0.27117   
1 1 1 40 4  32 o 2.06172  0.207459  4.36563      0.855443 4.24326      1.20858  4.48849      1.21098  2.00284  0.301717  2.06293  0.29351   
1 1 1 40 4  33 o 1.27579  0.331803  1.8247       0.854464 2.19044      1.22077  1.47342      1.19638  1.37704  0.411733  1.17345  0.411369  
1 1 1 40 4  34 o 1.34659  0.326905  2.03892      0.872811 2.16608      1.23959  1.91389      1.22916  1.36272  0.416402  1.29117  0.417842  
1 1 1 40 4  35 o 1.60233  0.287446  2.83501      0.887753 3.27151      1.27447  2.4236       1.2373   1.66532  0.38925   1.42125  0.41163   
1 1 1 40 4  36 o 2.40985  0.196189  6.07741      0.945572 5.29099      1.32856  6.88473      1.34609  2.18183  0.304461  2.51794  0.267301  
1 1 1 40 4  37 o 2.36258  0.20112   5.89883      0.950323 5.28091      1.29418  6.6219       1.39997  2.16622  0.298718  2.43586  0.287366  
1 1 1 40 4  38 o 0.985653 0.360874  1.16216      0.929561 1.19935      1.26773  1.11892      1.36708  1.01794  0.408541  1.011    0.417344  
1 1 1 40 4  39 o 0.786499 0.344054  0.323955     1.02745  0.0371401    1.50707  0.573028     1.40441  0.84161  0.387213  0.895756 0.396363  
1 1 1 40 4  40 o 0.7825   0.352145  0.322042     1.15721  -1.78216     1.84804  1.67929      1.48422  0.720557 0.355173  1.03222  0.431     
1 1 1 40 4  41 o 1.10207  0.419876  2.35297      1.28542  3.31769      1.72515  1.1489       1.92732  1.17991  0.475323  0.881922 0.41568   
1 1 1 40 4  42 o 0.679457 0.324731  -0.0973777   1.2339   -1.2289      1.74096  1.0447       1.74906  0.669417 0.332885  0.829916 0.392962  
1 1 1 40 5  0  f 1.58969  0.305579  2.79243      0.866651 2.79243      0.866651 2.79243      0.866651 1.63735  0.19324   ?        ?         
1 1 1 40 5  1  o 15.5078  0.127135  240.585      3.94315  236.283      5.48049  245.202      5.67764  15.3655  0.178337  15.6526  0.181364  
1 1 1 40 5  2  o 16.2597  0.119795  264.472      3.89566  263.911      5.37739  265.091      5.65141  16.2398  0.165562  16.2756  0.173617  
1 1 1 40 5  3  o 15.309   0.115844  234.444      3.54691  232.968      4.98789  235.953      5.04479  15.2582  0.16345   15.3556  0.164266  
1 1 1 40 5  4  o 3.63845  0.0809501 13.2406      0.589066 12.4983      0.840931 13.9556      0.825416 3.53465  0.118955  3.73514  0.110493  
1 1 1 40 5  5  o 5.9838   0.0712676 35.8106      0.852902 35.2565      1.21821  36.3434      1.19451  5.93689  0.102597  6.02776  0.0990842 
1 1 1 40 5  6  o 13.0682  0.0985442 170.822      2.57558  167.824      3.64313  173.818      3.64171  12.9511  0.140649  13.1805  0.138147  
1 1 1 40 5  7  o 10.7357  0.0857928 115.28       1.84209  115.45       2.73243  115.138      2.49409  10.7422  0.127181  10.7282  0.11624   
1 1 1 40 5  8  o 6.91358  0.0811785 47.8072      1.12247  47.4762      1.86616  47.9948      1.40504  6.88837  0.135458  6.92674  0.101422  
1 1 1 40 5  9  o 9.96541  0.0936489 99.3377      1.8665   105.327      2.87601  94.9794      2.45334  10.2596  0.140162  9.74322  0.1259    
1 1 1 40 5  10 o 9.39377  0.0816332 88.2643      1.53369  89.5718      2.13516  86.8707      2.20442  9.46203  0.112828  9.31805  0.118287  
1 1 1 40 5  11 o 14.8218  0.111024  219.8        3.29116  219.764      4.70553  219.834      4.60491  14.8165  0.158793  14.8193  0.155369  
1 1 1 40 5  12 o 1.74815  0.17654   3.06047      0.617234 2.44696      0.874592 3.66926      0.87122  1.53572  0.295286  1.9132   0.227687  
1 1 1 40 5  13 o 1.76497  0.177015  3.12023      0.624852 3.09679      0.859683 3.14647      0.909792 1.75704  0.24464   1.77079  0.256888  
1 1 1 40 5  14 o 4.05449  0.0900289 16.4466      0.730043 16.2106      0.945552 16.795       1.14872  4.02462  0.117471  4.09583  0.140231  
1 1 1 40 5  15 o 4.50214  0.0859098 20.279       0.773555 19.6876      1.08649  20.887       1.10162  4.43487  0.122494  4.56804  0.120579  
1 1 1 40 5  16 o 5.50283  0.0782597 30.295       0.8613   31.0851      1.20678  29.4746      1.22967  5.57293  0.108271  5.42642  0.113304  
1 1 1 40 5  17 o 1.8335   0.170323  3.37044      0.624573 3.79867      0.894518 2.96307      0.872455 1.94442  0.230022  1.7164   0.254153  
1 1 1 40 5  18 o 8.45811  0.0807424 71.5891      1.36586  71.9438      1.94899  71.2468      1.91469  8.47606  0.114971  8.43505  0.113496  
1 1 1 40 5  19 o 3.41508  0.0999646 11.6766      0.682775 11.4196      0.982001 11.917       0.949975 3.37506  0.145479  3.44823  0.137748  
1 1 1 40 5  20 o 3.35891  0.100873  11.2981      0.677648 12.0711      0.969936 10.561       0.947149 3.46968  0.139773  3.245    0.14594   
1 1 1 40 5  21 f 4.16612  0.0905934 17.3785      0.754845 17.1038      1.07484  17.6459      1.06034  4.13022  0.130119  4.19548  0.126366  
1 1 1 40 5  22 o 4.33365  0.0888779 18.8071      0.770332 18.2039      1.08276  19.4254      1.09619  4.26041  0.127073  4.40129  0.12453   
1 1 1 40 5  23 o 3.84371  0.0987137 14.8033      0.758854 13.8694      1.03837  15.8738      1.11175  3.71686  0.139683  3.97637  0.139795  
1 1 1 40 5  24 o 3.61106  0.103464  13.0715      0.747232 13.2914      1.04167  12.8385      1.07249  3.63728  0.143193  3.57397  0.150043  
1 1 1 40 5  25 o 6.6248   0.0885145 43.9812      1.17278  45.896       1.66925  42.1145      1.64808  6.76083  0.12345   6.47549  0.127255  
1 1 1 40 5  26 o 1.08632  0.328448  1.23194      0.773951 0.943987     1.05879  1.56235      1.13416  1.04651  0.384948  1.23349  0.401493  
1 1 1 40 5  27 o 3.85671  0.118199  14.9476      0.911717 16.6721      1.41299  13.7174      1.19338  4.06138  0.173954  3.68659  0.161854  
1 1 1 40 5  28 o 0.756428 0.317257  0.132084     0.809901 0.193203     1.17853  0.0773892    1.11487  0.904724 0.381229  0.860669 0.367048  
1 1 1 40 5  29 o 3.44894  0.134351  11.9821      0.926736 12.424       1.25135  11.4454      1.37916  3.50194  0.178665  3.35417  0.205589  
1 1 1 40 5  30 o 1.31555  0.310022  1.88257      0.803282 2.34482      1.13353  1.41624      1.13852  1.45146  0.38434   1.17366  0.402262  
1 1 1 40 5  31 o 0.618619 0.28362   -0.508266    0.800727 0.337194     1.1362   -1.3425      1.12863  0.905893 0.377603  0.651302 0.311106  
1 1 1 40 5  32 o 0.825687 0.328941  0.446919     0.814453 -0.67437     1.14844  1.58146      1.15521  0.737032 0.338643  1.20811  0.405202  
1 1 1 40 5  33 o 1.77224  0.249111  3.28741      0.882969 3.18219      1.24503  3.39388      1.25241  1.66708  0.381494  1.72665  0.37325   
1 1 1 40 5  34 o 1.23232  0.347405  1.72809      0.892996 -0.589319    1.27026  3.99246      1.25564  0.782277 0.358055  1.88272  0.346437  
1 1 1 40 5  35 o 0.868392 0.344559  0.592845     0.890324 -0.18375     1.26139  1.36385      1.25684  0.826532 0.369948  1.12675  0.418544  
1 1 1 40 5  36 o 1.24943  0.354425  1.86523      0.92664  0.868596     1.27842  2.96845      1.34505  0.999388 0.406563  1.53047  0.424721  
1 1 1 40 5  37 o 1.24987  0.341357  1.89701      0.877139 1.83879      1.21185  1.96107      1.2712   1.20129  0.414696  1.23153  0.424768  
1 1 1 40 5  38 o 1.26087  0.359577  2.04653      0.951323 2.64985      1.25862  1.24252      1.45295  1.38243  0.419024  1.03873  0.429608  
1 1 1 40 5  39 o 1.17811  0.374867  1.92653      0.992383 2.85066      1.45978  1.13246      1.35316  1.33366  0.455496  0.970415 0.408685  
1 1 1 40 5  40 f 1.10912  0.417892  1.99833      1.26175  2.47446      2.2006   1.76515      1.54003  1.10698  0.492231  1.03992  0.436881  
1 1 1 40 5  41 o 0.973056 0.406611  1.82654      1.32256  2.84078      1.71879  0.354348     2.07078  1.08136  0.458251  0.815353 0.396941  
1 1 1 40 5  42 o 0.906724 0.387884  1.69375      1.25182  2.41013      1.76973  0.976386     1.77095  0.941211 0.428144  0.801033 0.384318  
1 1 1 40 6  0  o 6.85157  0.111512  46.9888      1.52715  46.9888      1.52715  46.9888      1.52715  6.85321  0.0788084 ?        ?         
1 1 1 40 6  1  o 10.1379  0.0879594 102.797      1.78344  101.415      2.54063  104.139      2.5041   10.0684  0.126168  10.2028  0.122716  
1 1 1 40 6  2  o 6.7987   0.0711387 46.2284      0.967301 46.1862      1.41963  46.2649      1.32157  6.79507  0.10446   6.80099  0.0971599 
1 1 1 40 6  3  o 14.12    0.106969  199.434      3.0208   196.033      4.25596  202.887      4.28835  13.9969  0.152033  14.2395  0.150579  
1 1 1 40 6  4  o 11.8285  0.0896848 139.944      2.12167  138.4        2.98262  141.526      3.0187   11.7618  0.126793  11.8938  0.126902  
1 1 1 40 6  5  f 15.7067  0.116201  246.793      3.65026  242.629      4.9788   251.632      5.3676   15.571   0.159875  15.8565  0.169255  
1 1 1 40 6  6  o 12.0061  0.0974984 144.187      2.34115  144.509      3.56442  143.942      3.10475  12.0173  0.148304  11.9946  0.129422  
1 1 1 40 6  7  o 6.03827  0.0724041 36.4665      0.874391 34.7892      1.24877  38.0799      1.22473  5.89722  0.105878  6.16996  0.0992494 
1 1 1 40 6  8  o 3.03248  0.0986781 9.1988       0.598478 8.51193      0.85445  9.86031      0.838525 2.91651  0.146485  3.13921  0.133557  
1 1 1 40 6  9  o 5.85054  0.0759293 34.2358      0.888455 36.1084      1.27637  32.4757      1.23746  6.00781  0.106226  5.69754  0.108596  
1 1 1 40 6  10 o 14.2428  0.106984  202.95       3.04751  200.739      4.4238   204.948      4.20425  14.1612  0.156194  14.3097  0.146902  
1 1 1 40 6  11 o 20.6731  0.150676  427.819      6.22989  426.845      8.78699  428.804      8.834    20.6388  0.212875  20.686   0.213526  
1 1 1 40 6  12 o 18.8796  0.139127  356.784      5.2533   353.831      7.38563  359.809      7.47374  18.7922  0.196508  18.9502  0.197194  
1 1 1 40 6  13 o 10.2159  0.0870529 104.409      1.77865  103.575      2.53705  105.215      2.49427  10.1728  0.124698  10.2532  0.121634  
1 1 1 40 6  14 f 12.349   0.100243  152.593      2.47581  150.485      3.38883  155.006      3.62582  12.2599  0.138207  12.4419  0.14571   
1 1 1 40 6  15 f 3.66209  0.0939859 13.4191      0.688369 13.5246      0.927112 13.2896      1.02763  3.67551  0.12612   3.64294  0.141045  
1 1 1 40 6  16 o 7.4702   0.0795009 55.8323      1.18778  54.5706      1.59403  57.4075      1.78101  7.38368  0.107943  7.5725   0.117597  
1 1 1 40 6  17 o 7.57695  0.0801605 57.4466      1.21474  56.6014      1.67901  58.3749      1.75964  7.5188   0.111654  7.63538  0.11523   
1 1 1 40 6  18 f 1.86283  0.164167  3.48045      0.611629 3.20429      0.855202 3.76961      0.875089 1.7844   0.239633  1.93609  0.225994  
1 1 1 40 6  19 o 5.99248  0.0769965 35.9366      0.9228   35.9222      1.3181   35.9505      1.29235  5.98894  0.110045  5.99148  0.107849  
1 1 1 40 6  20 o 2.94266  0.114407  8.67552      0.673323 9.07919      0.977421 8.31095      0.928876 3.00745  0.1625    2.87747  0.161405  
1 1 1 40 6  21 o 4.13296  0.0903145 17.1041      0.746532 17.228       1.0677   16.9855      1.0442   4.14501  0.128794  4.11591  0.12685   
1 1 1 40 6  22 o 3.28506  0.109786  10.8161      0.721305 11.6839      1.00409  9.89063      1.03685  3.41123  0.147175  3.13688  0.165268  
1 1 1 40 6  23 o 3.41217  0.107185  11.6709      0.731469 11.1133      1.00716  12.2933      1.06409  3.32576  0.151419  3.4978   0.152108  
1 1 1 40 6  24 o 2.70908  0.128836  7.36831      0.698056 5.92234      0.944797 9.1065       1.03588  2.42258  0.194998  3.00703  0.172242  
1 1 1 40 6  25 o 2.81689  0.137568  7.97719      0.775026 7.67979      1.07775  8.29569      1.11532  2.75655  0.195488  2.86509  0.19464   
1 1 1 40 6  26 o 7.92918  0.0939336 63.0471      1.48963  60.7303      2.08998  65.4395      2.12375  7.77059  0.13448   8.06722  0.131628  
1 1 1 40 6  27 f 3.95639  0.114605  15.7272      0.906845 15.5592      1.34447  15.8674      1.22833  3.92369  0.171327  3.96618  0.154851  
1 1 1 40 6  28 o 5.22178  0.104806  27.3829      1.09455  27.6145      1.54562  27.1499      1.55025  5.23287  0.147683  5.18815  0.149403  
1 1 1 40 6  29 f 2.5295   0.173988  6.48429      0.880203 5.44258      1.22296  7.60387      1.26784  2.29698  0.26621   2.72488  0.232642  
1 1 1 40 6  30 o 3.07089  0.1408    9.52812      0.864766 9.33426      1.21768  9.72538      1.22832  3.02324  0.201386  3.0867   0.19897   
1 1 1 40 6  31 o 1.26288  0.32028   1.75482      0.810485 2.30547      1.13784  1.1877       1.15474  1.43022  0.387982  1.10672  0.402506  
1 1 1 40 6  32 o 1.47632  0.294278  2.37527      0.838106 3.16731      1.19607  1.61123      1.17474  1.67734  0.366638  1.21598  0.408613  
1 1 1 40 6  33 o 2.25958  0.196231  5.25494      0.886799 6.05853      1.26186  4.47076      1.24653  2.39917  0.262978  2.04342  0.305011  
1 1 1 40 6  34 o 1.14787  0.343716  1.48753      0.850331 1.39144      1.21556  1.57961      1.18995  1.14229  0.413213  1.18919  0.410891  
1 1 1 40 6  35 o 2.26407  0.202047  5.35123      0.914899 5.60084      1.30554  5.11035      1.28249  2.26768  0.287858  2.16054  0.296798  
1 1 1 40 6  36 o 1.69064  0.272417  3.12477      0.921117 3.77202      1.28196  2.43397      1.32439  1.77005  0.373723  1.37935  0.432236  
1 1 1 40 6  37 o 0.97139  0.351951  1.07102      0.882151 1.34871      1.21984  0.766572     1.27724  1.06995  0.408621  0.953876 0.399153  
1 1 1 40 6  38 o 1.44354  0.350837  2.64551      1.00441  1.72096      1.39544  3.63942      1.44684  1.12737  0.435363  1.60423  0.438538  
1 1 1 40 6  39 o 0.751962 0.333691  0.231924     1.00503  1.6565       1.48102  -0.984101    1.36833  1.05714  0.435068  0.691602 0.333268  
1 1 1 40 6  40 o 1.41197  0.398386  3.03884      1.17384  0.572021     1.82831  4.76875      1.53107  0.88761  0.415281  1.72476  0.44187   
1 1 1 40 6  41 o 1.1827   0.429809  2.86273      1.31649  1.98974      1.67991  4.25215      2.11933  0.948729 0.425729  1.16644  0.502016  
1 1 1 40 6  42 o 1.16972  0.425872  3.22937      1.293    2.85611      1.8348   3.5976       1.82242  0.924716 0.42617   1.01425  0.449807  
1 1 1 40 7  0  o 8.33976  0.115934  69.6045      1.93288  69.6045      1.93288  69.6045      1.93288  8.34134  0.0819441 ?        ?         
1 1 1 40 7  1  o 11.2092  0.0883854 125.674      1.98147  124.929      2.72785  126.506      2.88302  11.1749  0.122053  11.2449  0.128192  
1 1 1 40 7  2  o 16.5998  0.121818  275.667      4.04431  275.313      5.71733  276.021      5.72172  16.5857  0.172357  16.607   0.172268  
1 1 1 40 7  3  o 15.7119  0.1173    246.958      3.68602  246.623      5.15114  247.31       5.27677  15.6983  0.164067  15.7198  0.167838  
1 1 1 40 7  4  o 12.945   0.0992995 167.62       2.57086  166.577      3.72457  168.568      3.55298  12.9026  0.144334  12.9799  0.136865  
1 1 1 40 7  5  o 17.3923  0.134129  302.652      4.66561  300.383      6.75072  304.728      6.45551  17.3218  0.194862  17.4476  0.184998  
1 1 1 40 7  6  o 12.1577  0.097717  147.854      2.37603  146.019      3.39568  149.614      3.32585  12.0802  0.140548  12.2282  0.135991  
1 1 1 40 7  7  o 20.4421  0.153855  418.202      6.29025  417.657      9.0338   418.715      8.76384  20.4204  0.221196  20.4472  0.214304  
1 1 1 40 7  8  o 5.58498  0.0751423 31.1982      0.839336 29.8707      1.17725  32.5707      1.197    5.46427  0.107722  5.70595  0.10489   
1 1 1 40 7  9  o 10.103   0.0861191 102.101      1.74013  104.38       2.54619  100.105      2.38368  10.2135  0.124648  10.0024  0.119155  
1 1 1 40 7  10 o 2.69277  0.11326   7.25515      0.609965 7.21422      0.840508 7.30068      0.886577 2.68445  0.156551  2.70034  0.16416   
1 1 1 40 7  11 o 12.677   0.101289  160.785      2.56806  161.437      3.62188  160.126      3.64178  12.6995  0.142599  12.6477  0.14397   
1 1 1 40 7  12 o 4.60635  0.0801562 21.2258      0.738455 22.0927      1.07787  20.459       1.01374  4.69863  0.1147    4.52164  0.112099  
1 1 1 40 7  13 o 3.08065  0.101766  9.49622      0.627011 9.73847      0.882773 9.24958      0.890736 3.1188   0.141525  3.03937  0.146533  
1 1 1 40 7  14 o 3.85236  0.0945267 14.8495      0.728302 15.0851      1.00002  14.5833      1.06279  3.8818   0.128809  3.81634  0.139242  
1 1 1 40 7  15 o 4.19159  0.0870341 17.5794      0.729622 17.3989      0.980055 17.8038      1.09281  4.16901  0.117541  4.21677  0.129579  
1 1 1 40 7  16 o 5.81557  0.0824412 33.8413      0.958885 32.8554      1.34714  34.8538      1.36518  5.72844  0.117583  5.90019  0.115689  
1 1 1 40 7  17 o 4.32487  0.0877867 18.7197      0.759332 18.3908      1.06645  19.0578      1.08142  4.28498  0.12444   4.36202  0.123959  
1 1 1 40 7  18 o 9.7024   0.08656   94.2182      1.67968  95.8151      2.45123  92.8046      2.30624  9.77959  0.125324  9.62548  0.119799  
1 1 1 40 7  19 o 5.13108  0.0803229 26.3509      0.824287 26.17        1.15209  26.5406      1.17984  5.11129  0.1127    5.14719  0.11461   
1 1 1 40 7  20 o 6.11986  0.0768513 37.4858      0.940638 37.1657      1.31129  37.825       1.35009  6.09103  0.107641  6.14459  0.10986   
1 1 1 40 7  21 o 4.16886  0.0897688 17.4036      0.748467 17.6668      1.06579  17.1476      1.05134  4.1973   0.126961  4.13514  0.127123  
1 1 1 40 7  22 o 1.66778  0.19526   2.80246      0.651301 4.34435      0.909634 1.18045      0.932967 2.07451  0.219241  1.09724  0.364145  
1 1 1 40 7  23 o 1.94002  0.164879  3.78591      0.639736 3.93648      0.891017 3.6257       0.919083 1.97323  0.225777  1.89211  0.242872  
1 1 1 40 7  24 o 3.83661  0.103787  14.7599      0.796378 13.9008      1.09886  15.7103      1.1558   3.71811  0.147771  3.95294  0.146194  
1 1 1 40 7  25 o 1.83734  0.203091  3.41651      0.746296 3.37649      1.0412   3.4588       1.07025  1.81599  0.286674  1.8373   0.291255  
1 1 1 40 7  26 o 1.37517  0.279819  2.00602      0.74287  2.76802      1.02461  1.16157      1.07862  1.60752  0.330032  1.10743  0.390364  
1 1 1 40 7  27 o 1.78684  0.231521  3.25414      0.827385 2.98446      1.21503  3.48733      1.12981  1.65547  0.375524  1.80841  0.324119  
1 1 1 40 7  28 o 1.16914  0.329283  1.46733      0.802627 0.55343      1.1036   2.49349      1.16943  0.954897 0.382036  1.5066   0.38629   
1 1 1 40 7  29 o 1.98294  0.206824  4.01475      0.820241 3.18263      1.18669  4.77599      1.13502  1.70254  0.359642  2.14915  0.264064  
1 1 1 40 7  30 o 0.63668  0.28939   -0.417455    0.805067 0.897903     1.1339   -1.75456     1.14323  1.03233  0.394048  0.616636 0.298618  
1 1 1 40 7  31 o 0.865814 0.331331  0.598333     0.803351 1.11648      1.12519  0.0595806    1.14735  1.08133  0.396925  0.854082 0.368497  
1 1 1 40 7  32 o 1.81534  0.234942  3.42488      0.853    4.60179      1.21731  2.28951      1.19563  2.08296  0.292206  1.41041  0.403396  
1 1 1 40 7  33 o 3.159    0.147468  10.1456      0.931705 10.3018      1.31214  9.98674      1.32319  3.15777  0.207764  3.10658  0.212966  
1 1 1 40 7  34 o 1.10277  0.349732  1.35871      0.864295 0.839344     1.22196  1.87865      1.22264  1.01142  0.402921  1.27211  0.41686   
1 1 1 40 7  35 o 2.16637  0.213518  4.93626      0.925118 5.64672      1.31572  4.24157      1.30103  2.27     0.289807  1.90794  0.354219  
1 1 1 40 7  36 o 1.09871  0.356981  1.42572      0.896616 2.14018      1.26185  0.697138     1.27425  1.29828  0.423492  0.959063 0.399833  
1 1 1 40 7  37 o 1.43422  0.326417  2.4805       0.915551 1.98802      1.23899  3.07289      1.35886  1.22317  0.419597  1.5041   0.430007  
1 1 1 40 7  38 o 0.984248 0.368324  1.17709      0.976898 1.03819      1.41289  1.30431      1.3522   0.99007  0.417315  1.03456  0.419143  
1 1 1 40 7  39 o 1.00323  0.37331   1.40372      1.00072  2.10029      1.46636  0.796481     1.36911  1.13031  0.444174  0.896201 0.39456   
1 1 1 40 7  40 o 0.744927 0.341869  0.16451      1.16662  0.789156     1.7615   -0.323544    1.55704  0.888412 0.412529  0.758226 0.362952  
1 1 1 40 7  41 o 0.952298 0.402727  1.80065      1.32303  2.27785      1.81144  1.25503      1.93694  0.968896 0.438052  0.861675 0.41061   
1 1 1 40 7  42 o 0.79206  0.359598  1.2628       1.23514  0.678273     1.71016  1.90018      1.78581  0.728572 0.355769  0.822369 0.392466  
1 1 1 40 8  0  o 11.1249  0.119575  123.832      2.65983  123.832      2.65983  123.832      2.65983  11.1264  0.0845295 ?        ?         
1 1 1 40 8  1  o 5.50869  0.0692814 30.3499      0.7633   30.5739      1.09127  30.1354      1.06804  5.52858  0.0986937 5.48882  0.0972924 
1 1 1 40 8  2  o 2.37775  0.119294  5.65603      0.567303 4.64635      0.85192  6.46048      0.760428 2.1543   0.197725  2.54091  0.149637  
1 1 1 40 8  3  o 7.33735  0.0766819 53.8462      1.12528  52.6017      1.60318  55.0547      1.57987  7.25138  0.110543  7.41863  0.10648   
1 1 1 40 8  4  o 13.2515  0.101647  175.658      2.69397  171.84       3.71018  179.916      3.91799  13.1047  0.141559  13.4089  0.146097  
1 1 1 40 8  5  o 13.8857  0.111123  192.889      3.08606  195.43       4.36343  190.345      4.36527  13.9742  0.156124  13.7911  0.158264  
1 1 1 40 8  6  o 3.93275  0.0873348 15.4705      0.686932 14.8061      0.992991 16.0802      0.951287 3.84679  0.129067  4.00907  0.118642  
1 1 1 40 8  7  o 10.2121  0.0841519 104.313      1.71873  104.414      2.44523  104.215      2.41633  10.2157  0.11968   10.206   0.118378  
1 1 1 40 8  8  o 11.2171  0.0912531 125.865      2.04719  126.118      2.73291  125.541      3.09023  11.2269  0.121713  11.2003  0.137954  
1 1 1 40 8  9  o 9.35309  0.0814119 87.5059      1.52291  86.0948      2.08402  89.123       2.23091  9.27611  0.112332  9.43755  0.118193  
1 1 1 40 8  10 o 8.29642  0.0787858 68.851       1.30728  67.0843      1.88229  70.4972      1.81699  8.18791  0.114943  8.3939   0.108232  
1 1 1 40 8  11 o 19.115   0.140025  365.76       5.35318  365.366      7.74749  366.121      7.40518  19.094   0.202877  19.1156  0.193695  
1 1 1 40 8  12 o 5.72922  0.0723432 32.8338      0.828939 32.2835      1.19705  33.3408      1.14902  5.68004  0.105373  5.77251  0.0995249 
1 1 1 40 8  13 o 4.5665   0.0814343 20.8617      0.74374  21.3669      1.04149  20.3359      1.06243  4.62056  0.112702  4.50753  0.117851  
1 1 1 40 8  14 o 11.3833  0.0928122 129.66       2.11303  131.859      3.0811   127.707      2.90336  11.4756  0.134246  11.294   0.128535  
1 1 1 40 8  15 o 4.91498  0.0797054 24.1696      0.783501 23.8703      1.08793  24.4921      1.1293   4.88322  0.111395  4.94629  0.114157  
1 1 1 40 8  16 o 7.9013   0.0805475 62.4705      1.27286  62.4064      1.77596  62.5383      1.82524  7.89487  0.112475  7.90294  0.115479  
1 1 1 40 8  17 o 13.3066  0.107058  177.29       2.84915  180.154      4.02238  174.405      4.03628  13.4056  0.150026  13.1893  0.153014  
1 1 1 40 8  18 o 7.28179  0.0803518 53.0669      1.17021  52.2211      1.65145  53.9198      1.65843  7.22055  0.114357  7.33719  0.113015  
1 1 1 40 8  19 o 5.1943   0.0810014 27.0058      0.841491 27.0596      1.16111  26.9462      1.22127  5.19729  0.111703  5.18588  0.11775   
1 1 1 40 8  20 o 2.07276  0.148366  4.31134      0.615056 4.64406      0.859189 3.96163      0.880857 2.14814  0.199984  1.98257  0.222151  
1 1 1 40 8  21 o 5.89963  0.0813286 34.8477      0.959618 34.7566      1.34944  34.9409      1.3649   5.8884   0.114585  5.90386  0.115594  
1 1 1 40 8  22 o 2.0355   0.156669  4.16402      0.637802 3.56085      0.878707 4.83565      0.927223 1.8766   0.234121  2.18906  0.211785  
1 1 1 40 8  23 o 3.10032  0.112787  9.63998      0.699353 10.1173      0.971824 9.1273       1.00719  3.17228  0.153175  3.01154  0.167222  
1 1 1 40 8  24 o 6.25996  0.0901921 39.2734      1.1292   39.8227      1.61932  38.7535      1.57544  6.29655  0.128588  6.21183  0.12681   
1 1 1 40 8  25 o 2.53227  0.14985   6.45607      0.758922 7.11591      1.04476  5.71893      1.10427  2.65202  0.196975  2.37203  0.232768  
1 1 1 40 8  26 o 4.46593  0.102129  20.017       0.9122   19.9654      1.30368  20.0665      1.27683  4.45155  0.14643   4.46356  0.143028  
1 1 1 40 8  27 o 2.30123  0.177684  5.35641      0.817783 5.88088      1.1667   4.84985      1.1466   2.39918  0.243145  2.1747   0.263624  
1 1 1 40 8  28 o 4.05068  0.120076  16.5031      0.972783 16.9753      1.33311  15.9653      1.4227   4.09817  0.162647  3.96989  0.179186  
1 1 1 40 8  29 o 1.65598  0.239768  2.82147      0.794103 3.15984      1.14299  2.50575      1.10408  1.69976  0.348218  1.504    0.369267  
1 1 1 40 8  30 o 3.89269  0.126114  15.2911      0.981848 16.635       1.41228  14.034       1.36596  4.04329  0.174645  3.71021  0.184081  
1 1 1 40 8  31 o 1.27301  0.315804  1.78653      0.801194 1.61242      1.1322   1.96117      1.13392  1.2169   0.401146  1.32066  0.39721   
1 1 1 40 8  32 o 0.867983 0.337189  0.592245     0.839655 2.47085      1.19586  -1.23441     1.17921  1.46166  0.398305  0.676663 0.321466  
1 1 1 40 8  33 o 1.70547  0.254261  3.05711      0.867268 3.2456       1.22911  2.87021      1.22391  1.68329  0.374843  1.5733   0.390337  
1 1 1 40 8  34 o 1.30902  0.330511  1.95562      0.865966 2.49017      1.24547  1.45536      1.20486  1.44199  0.411491  1.15218  0.411924  
1 1 1 40 8  35 o 1.29621  0.347402  1.98866      0.919144 1.98137      1.30724  1.99578      1.29261  1.26754  0.431042  1.27155  0.428623  
1 1 1 40 8  36 o 1.73441  0.250526  3.2653       0.869029 3.91547      1.2297   2.61662      1.22829  1.81285  0.351715  1.43243  0.408605  
1 1 1 40 8  37 o 2.25165  0.216529  5.48206      0.975095 6.70549      1.32968  4.05865      1.43424  2.4362   0.2729    1.74323  0.416472  
1 1 1 40 8  38 o 1.46768  0.338542  2.7219       0.97418  2.58484      1.38299  2.85688      1.37247  1.3169   0.443354  1.39062  0.440682  
1 1 1 40 8  39 o 0.806736 0.34701   0.591484     1.01154  1.14783      1.47268  0.0945575    1.39182  0.948155 0.413363  0.795959 0.368482  
1 1 1 40 8  40 o 0.622703 0.303036  -0.889948    1.20414  0.55794      1.69978  -2.34855     1.70606  0.832154 0.391681  0.633517 0.316758  
1 1 1 40 8  41 o 0.714472 0.338576  0.0522771    1.30079  2.09254      1.91687  -1.68925     1.77098  0.949794 0.436864  0.65975  0.329137  
1 1 1 40 9  0  o 0.703887 0.382903  0.706893     0.750672 0.706893     0.750672 0.706893     0.750672 0.691613 0.333386  ?        ?         
1 1 1 40 9  1  o 6.99493  0.073534  48.9372      1.02873  50.7935      1.51606  47.3531      1.40049  7.12571  0.106379  6.88026  0.101776  
1 1 1 40 9  2  o 6.76982  0.0715569 45.8378      0.968855 46.5317      1.41346  45.2229      1.33063  6.82027  0.103622  6.72377  0.0989496 
1 1 1 40 9  3  o 5.01412  0.0717694 25.1455      0.719721 25.4773      1.03451  24.8343      1.00195  5.04667  0.102494  4.9826   0.100545  
1 1 1 40 9  4  o 12.8771  0.0992067 165.872      2.55498  162.743      3.60848  169.018      3.61812  12.7529  0.141477  12.9966  0.139195  
1 1 1 40 9  5  o 6.46178  0.0710195 41.7619      0.917825 41.6064      1.34161  41.8986      1.25839  6.44909  0.104015  6.47185  0.09722   
1 1 1 40 9  6  o 5.1417   0.0734451 26.4423      0.755264 26.3941      1.07726  26.489       1.05918  5.13646  0.104863  5.14573  0.102919  
1 1 1 40 9  7  o 3.98983  0.077711  15.9226      0.620107 15.0043      0.858862 16.9226      0.896261 3.87258  0.11089   4.11272  0.108962  
1 1 1 40 9  8  o 14.3437  0.104591  205.841      3.00044  204.528      4.26511  207.127      4.22176  14.2942  0.14919   14.385   0.146742  
1 1 1 40 9  9  o 5.35612  0.0707437 28.6948      0.757824 28.4051      1.06168  28.9957      1.08206  5.32838  0.0996251 5.38347  0.100498  
1 1 1 40 9  10 o 8.52937  0.0832526 72.7762      1.42018  72.0931      1.9314   73.5803      2.09551  8.48794  0.113773  8.5746   0.122193  
1 1 1 40 9  11 o 3.17937  0.0982041 10.1139      0.624455 9.14554      0.877993 11.1052      0.888322 3.02237  0.145249  3.33078  0.13335   
1 1 1 40 9  12 o 4.71036  0.0777172 22.1957      0.732151 21.9257      1.03524  22.4659      1.0356   4.68072  0.110585  4.73806  0.109285  
1 1 1 40 9  13 o 6.28947  0.0801298 39.5748      1.00795  39.5526      1.39914  39.5988      1.45331  6.2864   0.111283  6.28986  0.115528  
1 1 1 40 9  14 o 9.7225   0.0846878 94.5793      1.64675  92.159       2.38755  96.7755      2.2743   9.59416  0.124427  9.83233  0.115654  
1 1 1 40 9  15 o 4.33256  0.0873238 18.7841      0.756671 19.0896      1.0528   18.4576      1.08827  4.36628  0.120561  4.2931   0.126746  
1 1 1 40 9  16 o 2.57185  0.122218  6.62488      0.628655 6.2315       0.867748 7.05941      0.912008 2.49233  0.174083  2.65284  0.171893  
1 1 1 40 9  17 o 8.13896  0.0809926 66.2928      1.31839  66.7953      1.90726  65.833       1.82447  8.16638  0.116775  8.1078   0.112513  
1 1 1 40 9  18 o 3.49162  0.0962739 12.2065      0.672303 11.9503      0.930805 12.4859      0.972097 3.45273  0.134793  3.52907  0.137727  
1 1 1 40 9  19 o 1.20262  0.256361  1.51606      0.598345 1.2826       0.799408 1.81348      0.902273 1.11638  0.333058  1.31097  0.340961  
1 1 1 40 9  20 o 2.61713  0.125115  6.86749      0.654883 6.93877      0.899984 6.78728      0.954728 2.6276   0.171256  2.59778  0.183758  
1 1 1 40 9  21 o 2.59102  0.130673  6.73549      0.677154 5.86733      0.910668 7.80914      1.01272  2.414    0.188622  2.78563  0.181776  
1 1 1 40 9  22 o 1.65798  0.191528  2.77017      0.635097 3.40584      0.888824 2.10706      0.907802 1.83425  0.242286  1.40847  0.328067  
1 1 1 40 9  23 o 4.57719  0.0934435 20.9951      0.855418 21.5278      1.21059  20.4639      1.2089   4.63022  0.130727  4.51389  0.133908  
1 1 1 40 9  24 o 3.3808   0.114262  11.4721      0.772596 11.6517      1.08115  11.2846      1.10445  3.40141  0.158927  3.34649  0.165017  
1 1 1 40 9  25 o 8.78516  0.0954585 77.401       1.67724  78.2664      2.33194  76.4737      2.41413  8.82231  0.132162  8.71834  0.138451  
1 1 1 40 9  26 o 1.01952  0.318323  1.07643      0.719176 0.781402     1.04133  1.34548      0.994425 0.995047 0.378261  1.14626  0.375948  
1 1 1 40 9  27 o 3.57867  0.123386  12.8814      0.883119 13.0759      1.25178  12.6887      1.24608  3.59523  0.174089  3.54117  0.175941  
1 1 1 40 9  28 o 2.10139  0.200036  4.4914       0.840707 5.03152      1.12656  3.81255      1.26298  2.21244  0.254597  1.87771  0.349355  
1 1 1 40 9  29 o 0.727566 0.306157  0.121961     0.758353 -0.860683    1.06867  1.11872      1.07632  0.686575 0.319773  1.08161  0.389067  
1 1 1 40 9  30 o 2.50241  0.175548  6.37504      0.878583 6.71997      1.27244  6.06076      1.21459  2.54609  0.249881  2.41753  0.251204  
1 1 1 40 9  31 o 1.52723  0.275477  2.5133       0.810681 1.26046      1.14885  3.75585      1.14412  1.11926  0.402027  1.88158  0.304032  
1 1 1 40 9  32 o 1.7237   0.249583  3.11046      0.860414 2.11618      1.19594  4.17729      1.23881  1.35464  0.408029  1.97197  0.314103  
1 1 1 40 9  33 o 3.13296  0.15016   10.0029      0.940892 8.44543      1.31538  11.6348      1.34641  2.84253  0.231374  3.35439  0.200694  
1 1 1 40 9  34 o 2.37788  0.190248  5.86102      0.904776 4.59763      1.28188  7.11526      1.27723  2.04587  0.313284  2.58964  0.246604  
1 1 1 40 9  35 o 1.06903  0.356045  1.31997      0.891923 1.94507      1.25551  0.683069     1.26731  1.25447  0.422427  0.961735 0.399704  
1 1 1 40 9  36 o 0.714382 0.311394  0.0787864    0.835444 0.28846      1.18392  -0.129181    1.17909  0.855355 0.371748  0.786583 0.354638  
1 1 1 40 9  37 o 1.4298   0.337189  2.53921      0.949699 2.82628      1.36621  2.2708       1.32108  1.40996  0.438445  1.26964  0.433317  
1 1 1 40 9  38 o 0.717418 0.320084  0.0769339    0.937572 1.38399      1.3624   -1.09896     1.29223  1.02585  0.418907  0.670596 0.323323  
1 1 1 40 9  39 o 1.39593  0.371333  2.78371      1.05507  5.06099      1.62182  1.1128       1.38922  1.77257  0.455166  0.934361 0.404336  
1 1 1 40 9  40 o 0.665339 0.320077  -0.451487    1.24918  -1.05443     1.7954   0.114272     1.73916  0.70961  0.349849  0.783583 0.377133  
1 1 1 40 9  41 o 0.625096 0.304308  -0.656665    1.21668  -1.68417     1.84815  0.129253     1.61634  0.660926 0.330463  0.745209 0.359864  
1 1 1 40 10 0  o 0.488636 0.321434  -0.0810472   0.76557  -0.0810472   0.76557  -0.0810472   0.76557  0.405524 0.268082  ?        ?         
1 1 1 40 10 1  o 7.72494  0.077365  59.6866      1.19528  59.1547      1.61759  60.3262      1.77397  7.68978  0.105178  7.76529  0.114224  
1 1 1 40 10 2  o 14.3793  0.111788  206.852      3.21488  209.756      4.66803  204.232      4.43404  14.4765  0.161228  14.2851  0.155198  
1 1 1 40 10 3  o 5.44987  0.0737684 29.7068      0.804057 28.8732      1.08694  30.7142      1.19493  5.37241  0.101159  5.54091  0.107828  
1 1 1 40 10 4  o 14.0121  0.105309  196.419      2.9512   195.511      4.25616  197.259      4.09572  13.9766  0.152261  14.0394  0.145865  
1 1 1 40 10 5  o 5.39491  0.0703687 29.1107      0.759266 28.4408      1.0752   29.777       1.07233  5.33193  0.100826  5.4558   0.0982746 
1 1 1 40 10 6  o 4.73724  0.0739326 22.4466      0.700473 21.9497      0.99513  22.9345      0.986166 4.68393  0.106228  4.78793  0.102985  
1 1 1 40 10 7  o 9.42677  0.0795664 88.8891      1.50011  87.2834      2.18204  90.3282      2.06569  9.33967  0.116816  9.50157  0.108702  
1 1 1 40 10 8  o 8.29726  0.0740585 68.8625      1.22896  71.515       1.81492  66.6164      1.67013  8.45432  0.107337  8.15983  0.102338  
1 1 1 40 10 9  o 16.1486  0.118855  260.968      3.83869  265.403      5.4419   256.574      5.41566  16.2795  0.167139  16.0062  0.169174  
1 1 1 40 10 10 o 7.82416  0.0754339 61.2369      1.18041  61.4624      1.76064  61.0528      1.59094  7.83705  0.112328  7.81138  0.101835  
1 1 1 40 10 11 o 3.12733  0.0965163 9.78569      0.603677 9.46368      0.846074 10.1196      0.861594 3.07455  0.137593  3.17937  0.135498  
1 1 1 40 10 12 o 2.04934  0.143324  4.20548      0.587439 2.94858      0.81853  5.54045      0.843564 1.71387  0.238795  2.35128  0.179384  
1 1 1 40 10 13 o 6.35539  0.080397  40.4103      1.02191  40.8067      1.41661  39.9801      1.47558  6.38508  0.110932  6.31976  0.116744  
1 1 1 40 10 14 o 10.7754  0.0868386 116.184      1.87144  116.313      2.71309  116.066      2.58481  10.7775  0.125868  10.7668  0.120036  
1 1 1 40 10 15 o 6.6921   0.0771246 44.8114      1.03225  44.6054      1.43004  45.0354      1.49155  6.67486  0.107121  6.70666  0.111199  
1 1 1 40 10 16 o 3.44844  0.0959242 11.9039      0.661578 12.3039      0.91406  11.4638      0.958764 3.50438  0.130417  3.38206  0.141743  
1 1 1 40 10 17 o 7.42152  0.0770761 55.1197      1.14404  56.5434      1.63927  53.7678      1.59739  7.51396  0.109082  7.32723  0.109003  
1 1 1 40 10 18 o 2.31199  0.134623  5.35893      0.622491 4.24423      0.880331 6.47365      0.88034  2.05349  0.21435   2.53895  0.173367  
1 1 1 40 10 19 o 3.32941  0.0985711 11.1018      0.656367 11.6776      0.916852 10.4965      0.940071 3.41238  0.134342  3.23443  0.145322  
1 1 1 40 10 20 o 5.48682  0.0833087 30.1428      0.9142   30.8678      1.28625  29.4026      1.2996   5.54916  0.115896  5.41539  0.119991  
1 1 1 40 10 21 o 4.79586  0.0853652 23.034       0.818799 22.2189      1.09895  24.0511      1.22762  4.70727  0.116729  4.89649  0.125357  
1 1 1 40 10 22 o 2.88397  0.117041  8.34267      0.675089 7.83064      0.927714 8.91898      0.984232 2.7898   0.166269  2.97747  0.16528   
1 1 1 40 10 23 o 7.02619  0.0887327 49.4682      1.2469   51.0573      1.76412  47.8818      1.76266  7.13136  0.123687  6.90516  0.127634  
1 1 1 40 10 24 o 2.87686  0.125074  8.31446      0.719643 8.27006      0.983217 8.36569      1.05615  2.86344  0.171684  2.8782   0.183474  
1 1 1 40 10 25 o 1.86746  0.190258  3.52928      0.710598 3.62663      0.999474 3.42977      1.01049  1.88223  0.265503  1.82868  0.276291  
1 1 1 40 10 26 o 2.49459  0.157868  6.27857      0.787631 6.02078      1.13053  6.52172      1.09794  2.43006  0.232613  2.53234  0.216785  
1 1 1 40 10 27 o 2.6585   0.161081  7.14036      0.856467 5.60758      1.16035  8.97488      1.26944  2.33962  0.247979  2.96897  0.213785  
1 1 1 40 10 28 o 4.05317  0.114743  16.5316      0.930144 14.235       1.29513  18.9779      1.3367   3.74639  0.17285   4.3319   0.154286  
1 1 1 40 10 29 o 2.94762  0.145521  8.78777      0.857881 8.8583       1.18066  8.70888      1.24865  2.94441  0.200491  2.9151   0.214169  
1 1 1 40 10 30 f 3.11483  0.1494    9.83254      0.93071  11.125       1.38065  8.75604      1.26004  3.29194  0.209702  2.91823  0.215892  
1 1 1 40 10 31 o 1.31123  0.316384  1.90519      0.821387 1.04132      1.15439  2.79104      1.16898  1.06146  0.39976   1.56723  0.376987  
1 1 1 40 10 32 o 1.69856  0.251878  3.02435      0.855661 3.40409      1.19697  2.6275       1.22365  1.73749  0.356709  1.50408  0.399809  
1 1 1 40 10 33 o 2.87415  0.162279  8.4516       0.932831 9.05686      1.33228  7.86949      1.30654  2.94416  0.226257  2.73781  0.238612  
1 1 1 40 10 34 o 0.634323 0.292156  -0.4905      0.860544 -0.0813845   1.22188  -0.893141    1.21217  0.826674 0.367252  0.713256 0.334545  
1 1 1 40 10 35 o 1.14862  0.35203   1.56457      0.885055 1.40208      1.24914  1.72838      1.25419  1.11219  0.416438  1.19332  0.420907  
1 1 1 40 10 36 o 0.446874 0.2242    -2.28795     0.873309 -2.62074     1.19393  -1.90502     1.28072  0.54454  0.271462  0.623318 0.305182  
1 1 1 40 10 37 o 0.911267 0.356905  0.900702     0.944684 0.352093     1.32389  1.46982      1.34841  0.869622 0.384812  1.07501  0.424824  
1 1 1 40 10 38 o 0.692867 0.315505  -0.0860491   0.966541 -1.51773     1.4147   1.16725      1.32363  0.661605 0.323183  0.96965  0.406083  
1 1 1 40 10 39 o 1.13485  0.386875  1.96283      1.05307  2.19095      1.57277  1.77746      1.4178   1.10914  0.451034  1.04509  0.427147  
1 1 1 40 10 40 o 0.909188 0.389383  1.46106      1.26405  1.09344      1.80459  1.81518      1.77116  0.858545 0.403949  0.933996 0.425785  
1 1 1 40 10 41 o 0.616862 0.30045   -0.547312    1.19153  0.158162     1.85824  -1.03991     1.55276  0.742515 0.364738  0.63845  0.317057  
1 1 1 40 11 0  o 6.71402  0.100801  45.117       1.35287  45.117       1.35287  45.117       1.35287  6.71547  0.0712437 ?        ?         
1 1 1 40 11 1  f 8.75957  0.0753921 76.7465      1.32081  77.4164      1.86949  76.0788      1.86632  8.79679  0.10626   8.72043  0.107008  
1 1 1 40 11 2  o 3.01056  0.100045  9.06695      0.602382 8.46255      0.805724 9.83291      0.907042 2.90797  0.138537  3.13449  0.144688  
1 1 1 40 11 3  o 11.2486  0.091764  126.573      2.06443  126.398      2.79797  126.781      3.05848  11.2392  0.124474  11.2556  0.135865  
1 1 1 40 11 4  o 17.7033  0.128112  313.618      4.53601  309.582      6.2722   318.042      6.56779  17.5833  0.178357  17.8211  0.18427   
1 1 1 40 11 5  o 15.7273  0.116811  247.496      3.67426  243.579      5.14219  251.583      5.25191  15.5976  0.164839  15.8517  0.165658  
1 1 1 40 11 6  o 2.14001  0.120845  4.58272      0.517218 4.46489      0.724718 4.70505      0.738388 2.11159  0.171605  2.16766  0.170319  
1 1 1 40 11 7  o 7.08406  0.0700386 50.1959      0.992316 48.7867      1.41175  51.572       1.3951   6.98301  0.101084  7.17972  0.0971554 
1 1 1 40 11 8  o 6.61087  0.0761557 43.7167      1.00691  43.5171      1.42847  43.9138      1.41954  6.59475  0.108304  6.62478  0.107139  
1 1 1 40 11 9  o 4.07655  0.0769849 16.6238      0.627666 16.5445      0.904314 16.6974      0.871883 4.0661   0.111202  4.08496  0.106719  
1 1 1 40 11 10 o 7.8895   0.0731323 62.2641      1.15395  64.1946      1.71222  60.6575      1.56198  8.00941  0.106888  7.78594  0.100308  
1 1 1 40 11 11 f 5.02511  0.0720972 25.2602      0.724592 24.6578      1.01752  25.88        1.03209  4.96395  0.102491  5.08552  0.101474  
1 1 1 40 11 12 o 2.97743  0.104464  8.87201      0.622065 8.91762      0.867482 8.82374      0.892516 2.98395  0.145358  2.96804  0.150355  
1 1 1 40 11 13 f 4.71501  0.0808622 22.2431      0.762533 23.5739      1.0693   20.8662      1.0877   4.85288  0.110172  4.56531  0.119127  
1 1 1 40 11 14 o 5.25026  0.0770592 27.5808      0.809161 28.4968      1.14936  26.6807      1.13936  5.3353   0.107713  5.16235  0.110353  
1 1 1 40 11 15 o 4.22321  0.0850723 17.8493      0.718556 17.6029      1.01924  18.0928      1.01317  4.19227  0.121562  4.25034  0.119187  
1 1 1 40 11 16 o 6.57985  0.0781299 43.3255      1.02817  45.0032      1.42936  41.5266      1.48006  6.70396  0.106606  6.4391   0.114927  
1 1 1 40 11 17 o 1.57547  0.191391  2.49435      0.603061 2.63016      0.834407 2.34582      0.872588 1.61454  0.258404  1.49635  0.302152  
1 1 1 40 11 18 o 5.33806  0.0807332 28.5224      0.861917 27.8409      1.23313  29.1733      1.20522  5.27107  0.116971  5.39621  0.111673  
1 1 1 40 11 19 o 5.86324  0.0789814 34.4136      0.926174 34.695       1.26983  34.0936      1.35381  5.88446  0.107897  5.83234  0.116061  
1 1 1 40 11 20 o 2.22032  0.140169  4.94826      0.62244  5.95353      0.852695 3.80159      0.910692 2.43289  0.175244  1.93962  0.23476   
1 1 1 40 11 21 o 8.31481  0.0860441 69.2429      1.43088  72.0315      2.0039   66.342       2.04383  8.47487  0.118226  8.13176  0.125669  
1 1 1 40 11 22 o 3.33067  0.106304  11.123       0.708125 10.7793      0.971289 11.513       1.03459  3.27469  0.148302  3.38376  0.152875  
1 1 1 40 11 23 o 2.93264  0.121081  8.63528      0.710174 8.68991      0.980435 8.57497      1.03008  2.93666  0.166931  2.91585  0.176634  
1 1 1 40 11 24 o 4.63292  0.0955913 21.5242      0.885734 22.1604      1.23189  20.8433      1.27443  4.69506  0.13119   4.55174  0.139993  
1 1 1 40 11 25 o 7.40225  0.0922167 54.9574      1.36522  53.7478      1.96457  56.0872      1.89855  7.30791  0.134414  7.46777  0.127117  
1 1 1 40 11 26 o 1.34428  0.278011  1.92264      0.722093 1.69592      1.0084   2.16124      1.03449  1.25862  0.37378   1.40971  0.364365  
1 1 1 40 11 27 o 0.829295 0.323723  0.468514     0.775867 -0.450502    1.0433   1.60565      1.16052  0.739499 0.333491  1.23934  0.406133  
1 1 1 40 11 28 o 5.5163   0.0975434 30.5747      1.07616  31.9594      1.51239  29.1547      1.53162  5.62797  0.134364  5.37233  0.142547  
1 1 1 40 11 29 o 1.78538  0.248241  3.29951      0.88641  4.31707      1.32999  2.4863       1.18897  2.01593  0.32987   1.48506  0.393808  
1 1 1 40 11 30 o 2.18567  0.195365  4.89045      0.854006 5.49809      1.24349  4.34797      1.17492  2.29243  0.271215  2.03253  0.28903   
1 1 1 40 11 31 o 2.40728  0.18022   5.93264      0.867681 4.37271      1.19895  7.64809      1.2573   2.02751  0.295671  2.71295  0.231722  
1 1 1 40 11 32 o 2.27431  0.194241  5.3226       0.883529 5.94657      1.23717  4.67311      1.26221  2.37735  0.260198  2.08957  0.302026  
1 1 1 40 11 33 o 2.33226  0.193795  5.62016      0.90396  7.21959      1.30886  4.16147      1.24995  2.61522  0.25024   1.95313  0.319988  
1 1 1 40 11 34 o 0.892232 0.344956  0.720898     0.876598 0.316146     1.22898  1.14008      1.2507   0.890161 0.382679  1.06045  0.411617  
1 1 1 40 11 35 o 2.17941  0.20408   5.00805      0.889549 4.76833      1.26232  5.24451      1.25375  2.06065  0.306292  2.17475  0.288251  
1 1 1 40 11 36 o 1.25577  0.351199  1.96054      0.91618  1.58025      1.25516  2.39423      1.34039  1.11997  0.417817  1.32239  0.436472  
1 1 1 40 11 37 o 0.607646 0.286046  -0.639822    0.907151 -1.92906     1.27402  0.686017     1.29198  0.607162 0.299066  0.913981 0.392622  
1 1 1 40 11 38 o 1.50933  0.344331  3.02407      1.01683  3.18594      1.47872  2.87887      1.40049  1.38267  0.458442  1.32772  0.44615   
1 1 1 40 11 39 o 0.596759 0.287887  -0.843831    1.02806  -0.49504     1.52373  -1.13529     1.39287  0.745206 0.35728   0.665211 0.32415   
1 1 1 40 11 40 o 0.636859 0.307748  -0.488807    1.18944  -0.929987    1.75021  -0.110164    1.62142  0.692439 0.342349  0.731921 0.354755  
1 1 1 40 11 41 o 0.765072 0.348606  1.05499      1.1841   -0.107798    1.62017  2.38819      1.73483  0.672976 0.33192   0.872916 0.406896  
1 1 1 40 12 0  o 18.4581  0.190611  341.07       7.03495  341.07       7.03495  341.07       7.03495  18.463   0.13473   ?        ?         
1 1 1 40 12 1  o 13.1394  0.105634  172.727      2.77593  175.79       3.991    169.856      3.86362  13.2521  0.15058   13.0267  0.148296  
1 1 1 40 12 2  o 9.69163  0.0821157 93.9552      1.59167  92.8565      2.21017  95.139       2.29409  9.63342  0.114714  9.75095  0.117634  
1 1 1 40 12 3  f 10.8399  0.0889526 117.546      1.92848  114.684      2.68221  120.608      2.77471  10.7053  0.125275  10.9782  0.126373  
1 1 1 40 12 4  o 11.0192  0.0880811 121.467      1.94117  121.727      2.68477  121.181      2.80997  11.0292  0.121711  11.0041  0.127679  
1 1 1 40 12 5  o 9.48143  0.0793918 89.9245      1.5055   90.8482      2.20071  89.112       2.06404  9.52839  0.115482  9.43722  0.109356  
1 1 1 40 12 6  o 9.03764  0.0782945 81.704       1.41519  80.4351      1.97212  83.0511      2.032    8.96585  0.109979  9.11041  0.111521  
1 1 1 40 12 7  o 4.64871  0.0758282 21.6171      0.705007 20.5726      0.928714 23.0375      1.08304  4.53445  0.102406  4.79813  0.112861  
1 1 1 40 12 8  o 8.29766  0.0800949 68.876       1.3292   69.2226      1.98556  68.5946      1.78928  8.3167   0.119372  8.27948  0.108055  
1 1 1 40 12 9  f 6.63175  0.0713858 43.9935      0.946825 43.1205      1.39596  44.7373      1.28851  6.56439  0.106328  6.68673  0.0963486 
1 1 1 40 12 10 o 4.3373   0.0876111 18.8215      0.759991 17.7043      1.13998  19.7153      1.01964  4.20512  0.135546  4.43828  0.114869  
1 1 1 40 12 11 o 6.55674  0.0739302 43.0075      0.969482 42.4207      1.36695  43.6014      1.37519  6.51055  0.10498   6.60057  0.104172  
1 1 1 40 12 12 o 4.73064  0.0842561 22.3915      0.797171 23.7922      1.11151  20.9078      1.14392  4.87521  0.113997  4.56966  0.125165  
1 1 1 40 12 13 o 5.59935  0.0720672 31.3675      0.807058 32.3415      1.15806  30.4477      1.12535  5.68427  0.101865  5.51533  0.10202   
1 1 1 40 12 14 o 5.18922  0.078702  26.9455      0.816805 28.1374      1.16526  25.7942      1.14527  5.30114  0.109907  5.07544  0.112824  
1 1 1 40 12 15 o 7.15797  0.0769821 51.2709      1.10207  52.743       1.59314  49.92        1.52615  7.25749  0.109758  7.06074  0.108073  
1 1 1 40 12 16 o 11.5937  0.0949357 134.567      2.20131  133.308      3.05194  135.932      3.17812  11.5331  0.132313  11.6452  0.136456  
1 1 1 40 12 17 o 4.09979  0.0880792 16.8268      0.722212 16.7729      1.00473  16.8844      1.03885  4.09108  0.122795  4.10437  0.126555  
1 1 1 40 12 18 o 4.68645  0.084621  21.9876      0.793145 21.8708      1.11467  22.1074      1.12881  4.67134  0.11931   4.69646  0.120177  
1 1 1 40 12 19 o 6.18135  0.0788226 38.2517      0.974461 39.0927      1.33634  37.2966      1.42403  6.24599  0.106976  6.09962  0.116731  
1 1 1 40 12 20 o 8.21346  0.0823174 67.5525      1.35222  68.7709      1.85639  66.1754      1.97365  8.28245  0.112068  8.12288  0.121487  
1 1 1 40 12 21 o 6.71853  0.0816947 45.2047      1.09774  45.8557      1.55673  44.5608      1.54817  6.76192  0.11511   6.6656   0.116132  
1 1 1 40 12 22 o 2.8188   0.124993  7.97704      0.704661 8.49795      0.966031 7.3847       1.03014  2.90502  0.16627   2.70514  0.190403  
1 1 1 40 12 23 o 2.96497  0.120128  8.82767      0.712351 8.99744      0.974544 8.63288      1.04386  2.9882   0.163065  2.92485  0.178446  
1 1 1 40 12 24 o 6.63592  0.0891603 44.1478      1.18332  45.4024      1.68622  42.9304      1.661    6.72094  0.125445  6.53498  0.127086  
1 1 1 40 12 25 o 2.19744  0.172039  4.88022      0.756092 3.94136      1.07208  5.80933      1.06649  1.95888  0.273647  2.38877  0.22323   
1 1 1 40 12 26 o 4.76721  0.101965  22.8175      0.972176 24.027       1.38412  21.6398      1.36579  4.8828   0.141734  4.63243  0.147417  
1 1 1 40 12 27 o 3.68161  0.122182  13.6415      0.899654 15.4476      1.22975  11.5618      1.3196   3.90943  0.15728   3.37238  0.195648  
1 1 1 40 12 28 o 3.29485  0.127811  10.9464      0.842238 12.1058      1.1885   9.77678      1.19373  3.45335  0.172079  3.09758  0.192687  
1 1 1 40 12 29 o 2.65731  0.165152  7.17369      0.877717 6.7121       1.22829  7.65533      1.25469  2.54785  0.241045  2.72492  0.230225  
1 1 1 40 12 30 o 1.87878  0.2194    3.64003      0.824411 4.03145      1.1692   3.253        1.16261  1.95152  0.299561  1.70974  0.352048  
1 1 1 40 12 31 o 1.72783  0.255743  3.13179      0.88376  3.21237      1.27873  3.0581       1.22279  1.6714   0.3894    1.63415  0.380831  
1 1 1 40 12 32 o 1.56644  0.28552   2.68353      0.861366 2.66945      1.199    2.69855      1.23826  1.51317  0.392815  1.51751  0.401646  
1 1 1 40 12 33 o 0.676407 0.302651  -0.218772    0.84357  -1.56932     1.21115  1.0537       1.17562  0.646614 0.312069  1.04517  0.400568  
1 1 1 40 12 34 o 0.941724 0.34824   0.910355     0.868114 1.48733      1.22245  0.323356     1.23302  1.13688  0.414074  0.889136 0.382794  
1 1 1 40 12 35 o 0.866361 0.339678  0.684598     0.85616  0.912924     1.19087  0.440324     1.23176  0.98263  0.395302  0.897378 0.384353  
1 1 1 40 12 36 o 1.13996  0.358231  1.64233      0.908849 -0.151199    1.28061  3.46243      1.29006  0.794767 0.362243  1.62147  0.399806  
1 1 1 40 12 37 f 1.87852  0.256074  3.99577      0.962077 3.3743       1.40181  4.54915      1.3228   1.52546  0.436953  1.88244  0.364356  
1 1 1 40 12 38 o 1.53592  0.343715  3.16514      1.02927  4.6125       1.54199  2.00207      1.38228  1.70853  0.446377  1.10718  0.432115  
1 1 1 40 12 39 o 1.52806  0.348065  3.34146      1.04031  2.17816      1.46309  4.53098      1.47948  1.06521  0.434401  1.62055  0.443658  
1 1 1 40 12 40 o 0.835772 0.365146  1.05936      1.15426  -0.605951    1.61353  2.80479      1.65189  0.700073 0.342712  1.07325  0.451749  
1 1 1 40 13 0  o 3.76186  0.122421  14.2014      0.918851 14.2014      0.918851 14.2014      0.918851 3.76518  0.0863836 ?        ?         
1 1 1 40 13 1  o 2.25736  0.126355  5.09949      0.570457 5.56659      0.824871 4.6713       0.78977  2.35766  0.174934  2.15962  0.182849  
1 1 1 40 13 2  o 11.7819  0.0915302 138.869      2.1568   135.606      2.96519  142.534      3.14292  11.6405  0.127365  11.9338  0.131681  
1 1 1 40 13 3  o 3.10614  0.0886899 9.65181      0.550968 9.79265      0.76531  9.50026      0.793845 3.12818  0.122325  3.08101  0.128829  
1 1 1 40 13 4  o 7.06876  0.0685303 49.9791      0.968848 49.5853      1.37401  50.3685      1.36634  7.04001  0.0975857 7.09544  0.0962831 
1 1 1 40 13 5  o 9.70115  0.0843709 94.1471      1.63699  92.3235      2.29676  96.03        2.33379  9.60496  0.119561  9.79589  0.119121  
1 1 1 40 13 6  o 4.68127  0.0723209 21.9205      0.677107 21.9035      0.947236 21.9384      0.968259 4.67882  0.101226  4.68249  0.103392  
1 1 1 40 13 7  o 2.85744  0.0937231 8.16909      0.535617 7.78193      0.746141 8.58071      0.769346 2.78818  0.133804  2.92784  0.131384  
1 1 1 40 13 8  o 5.20276  0.0696312 27.0767      0.724549 26.7982      1.03931  27.34        1.01062  5.1751   0.100415  5.22728  0.0966682 
1 1 1 40 13 9  o 12.1039  0.0928191 146.586      2.24694  146.867      3.15937  146.297      3.19627  12.1121  0.130422  12.0884  0.132204  
1 1 1 40 13 10 o 7.13392  0.0734583 50.9122      1.04809  51.2864      1.54002  50.5893      1.43049  7.1585   0.107566  7.11005  0.100596  
1 1 1 40 13 11 o 3.81577  0.0837001 14.568       0.638761 15.1001      0.939128 14.11        0.871362 3.88366  0.120908  3.75434  0.116047  
1 1 1 40 13 12 o 7.7287   0.0768779 59.764       1.18833  62.0112      1.70568  57.6445      1.65651  7.87063  0.108357  7.5884   0.109148  
1 1 1 40 13 13 o 6.61707  0.0738974 43.8102      0.977969 43.7776      1.38992  43.8423      1.37629  6.61274  0.105094  6.6177   0.103986  
1 1 1 40 13 14 o 3.51883  0.0936272 12.3941      0.658916 11.9318      0.919225 12.8827      0.945007 3.45087  0.133187  3.58582  0.13177   
1 1 1 40 13 15 o 4.26314  0.0848118 18.1903      0.723129 18.0058      1.01573  18.3798      1.02973  4.23962  0.11979   4.2834   0.1202    
1 1 1 40 13 16 o 4.24636  0.0867503 18.0502      0.736745 18.0331      1.03236  18.0679      1.05175  4.24223  0.121676  4.24616  0.123847  
1 1 1 40 13 17 o 5.16367  0.0834417 26.6913      0.861731 26.278       1.17078  27.1799      1.27297  5.12115  0.114308  5.20755  0.122224  
1 1 1 40 13 18 o 6.25537  0.0784834 39.1704      0.981885 39.1698      1.32999  39.1711      1.45571  6.25255  0.106355  6.25146  0.116429  
1 1 1 40 13 19 o 4.08021  0.0907307 16.6742      0.740401 16.5736      1.03498  16.7797      1.05962  4.0648   0.12731   4.08977  0.129546  
1 1 1 40 13 20 o 3.42299  0.0993738 11.7409      0.680312 12.1318      0.946904 11.3239      0.978065 3.47642  0.136189  3.35775  0.145643  
1 1 1 40 13 21 o 3.68317  0.0981405 13.5962      0.722935 13.7342      1.01395  13.4535      1.03103  3.69788  0.137099  3.65945  0.140873  
1 1 1 40 13 22 o 2.03742  0.16176   4.18073      0.659146 4.57022      0.919651 3.76929      0.945221 2.12438  0.216451  1.92584  0.245405  
1 1 1 40 13 23 o 3.34613  0.110473  11.2379      0.739318 11.5356      1.01103  10.8957      1.08388  3.38505  0.149337  3.28743  0.164852  
1 1 1 40 13 24 o 3.84785  0.106761  14.8635      0.821599 15.1136      1.2024   14.6446      1.12526  3.87155  0.155287  3.81254  0.147574  
1 1 1 40 13 25 o 3.44011  0.118364  11.8936      0.814369 12.1017      1.15697  11.6892      1.14648  3.46134  0.167128  3.40155  0.168523  
1 1 1 40 13 26 o 2.03986  0.187354  4.21916      0.764353 4.39429      1.0523   4.02357      1.11209  2.0697   0.254216  1.97484  0.281564  
1 1 1 40 13 27 o 2.58192  0.157614  6.74712      0.813893 6.01389      1.0924   7.66196      1.22021  2.42266  0.225455  2.73524  0.223053  
1 1 1 40 13 28 o 0.853249 0.320397  0.605127     0.74046  0.562139     1.01599  0.653829     1.08141  0.92193  0.367358  0.961737 0.380324  
1 1 1 40 13 29 o 2.40932  0.181053  5.91923      0.872431 6.26811      1.21461  5.54739      1.25393  2.45876  0.246997  2.30437  0.272077  
1 1 1 40 13 30 o 0.691599 0.30345   -0.103238    0.804205 0.381617     1.11317  -0.632565    1.16311  0.901707 0.374673  0.747014 0.342209  
1 1 1 40 13 31 o 1.00959  0.350884  1.04999      0.868846 1.36454      1.23996  0.74658      1.21781  1.14939  0.417185  1.00051  0.400887  
1 1 1 40 13 32 o 1.92256  0.228584  3.86517      0.878935 4.07839      1.28045  3.67519      1.20866  1.89855  0.350379  1.80184  0.34781   
1 1 1 40 13 33 o 1.44224  0.317961  2.37114      0.892487 1.97667      1.23146  2.80757      1.2953   1.28324  0.418361  1.51617  0.415145  
1 1 1 40 13 34 o 0.74172  0.317228  0.169659     0.836981 -0.278799    1.19307  0.60426      1.17449  0.779473 0.35376   0.925846 0.384788  
1 1 1 40 13 35 o 0.819952 0.335496  0.502614     0.87561  0.41098      1.2092   0.603632     1.26961  0.881069 0.379198  0.928422 0.393665  
1 1 1 40 13 36 o 0.905057 0.349159  0.891716     0.897078 1.05629      1.26092  0.723039     1.27655  0.986033 0.402884  0.924463 0.393462  
1 1 1 40 13 37 o 0.812071 0.336469  0.598514     0.893762 1.47597      1.27141  -0.258706    1.25666  1.04176  0.412252  0.75032  0.348418  
1 1 1 40 13 38 o 1.09665  0.381137  1.79286      1.02513  3.41035      1.50654  0.398194     1.39893  1.40006  0.462735  0.831873 0.379009  
1 1 1 40 13 39 o 0.625188 0.298306  -0.394065    1.03043  -1.4855      1.42061  0.817719     1.49689  0.621144 0.307422  0.834621 0.384756  
1 1 1 40 13 40 o 0.701708 0.327939  0.200775     1.13614  -1.11948     1.60161  1.5381       1.61193  0.659779 0.326514  0.889248 0.405603  
1 1 1 40 14 0  o 7.91812  0.104693  62.747       1.6573   62.747       1.6573   62.747       1.6573   7.91971  0.0739999 ?        ?         
1 1 1 40 14 1  o 7.78339  0.0736549 60.5979      1.14657  58.0277      1.55601  63.6514      1.69601  7.61556  0.10216   7.97588  0.106321  
1 1 1 40 14 2  o 7.53887  0.073966  56.8506      1.11524  57.9837      1.66039  55.9193      1.50536  7.61236  0.109059  7.47596  0.10068   
1 1 1 40 14 3  o 15.3458  0.114647  235.657      3.51869  235.593      4.98874  235.721      4.96371  15.3383  0.162623  15.3426  0.161762  
1 1 1 40 14 4  o 3.61813  0.0777847 13.0952      0.56287  13.1875      0.794479 13.0021      0.797567 3.63028  0.109424  3.60464  0.110631  
1 1 1 40 14 5  o 3.47631  0.0775997 12.0888      0.539521 11.7733      0.765643 12.4         0.760379 3.43002  0.111609  3.52021  0.108002  
1 1 1 40 14 6  o 6.43521  0.0698247 41.4238      0.898673 40.3763      1.26541  42.4896      1.27649  6.35238  0.0996013 6.51656  0.0979423 
1 1 1 40 14 7  o 9.5937   0.0812277 92.0768      1.55855  88.0221      2.17602  96.3478      2.23334  9.37807  0.116016  9.81172  0.11381   
1 1 1 40 14 8  o 11.5883  0.090921  134.362      2.10724  134.939      3.01579  133.812      2.94564  11.6098  0.129881  11.5615  0.12739   
1 1 1 40 14 9  o 7.56004  0.0731857 57.1759      1.10657  58.611       1.64583  55.9919      1.4949   7.65261  0.107534  7.48009  0.0999251 
1 1 1 40 14 10 o 5.57837  0.0725443 31.1309      0.809358 31.7844      1.16562  30.5225      1.12469  5.6354   0.103419  5.52248  0.101829  
1 1 1 40 14 11 f 7.18981  0.0763323 51.7196      1.09763  48.8758      1.56618  54.4647      1.53875  6.98729  0.112074  7.37651  0.1043    
1 1 1 40 14 12 o 4.05715  0.0805634 16.4712      0.653716 15.8777      0.912049 17.0982      0.937464 3.98209  0.114519  4.13235  0.11343   
1 1 1 40 14 13 o 6.62368  0.0746026 43.8996      0.988288 44.7034      1.40721  43.1173      1.38829  6.68206  0.105298  6.56241  0.105776  
1 1 1 40 14 14 o 3.67641  0.0863032 13.5278      0.634572 13.9352      0.903924 13.1319      0.891054 3.72977  0.121177  3.62057  0.123055  
1 1 1 40 14 15 o 4.8133   0.0812073 23.188       0.781749 23.2857      1.13408  23.0996      1.07909  4.82111  0.117616  4.80219  0.112354  
1 1 1 40 14 16 o 6.43163  0.0787992 41.4031      1.01361  41.5217      1.46566  41.2944      1.40331  6.43765  0.113835  6.42048  0.109284  
1 1 1 40 14 17 f 6.55788  0.0798265 43.0497      1.04698  45.2031      1.4792   40.8878      1.48212  6.71673  0.110113  6.38739  0.11602   
1 1 1 40 14 18 o 4.71109  0.086347  22.2243      0.813577 22.598       1.05575  21.678       1.2766   4.7484   0.111169  4.648    0.137328  
1 1 1 40 14 19 o 3.32886  0.102239  11.1045      0.680681 10.4585      0.935448 11.8315      0.992323 3.22719  0.144933  3.43253  0.144547  
1 1 1 40 14 20 o 3.86323  0.0950998 14.9541      0.734785 15.7191      1.03848  14.1872      1.03981  3.95733  0.131209  3.75877  0.138318  
1 1 1 40 14 21 o 0.81003  0.293969  0.556675     0.615656 0.233051     0.828387 0.955981     0.920165 0.7932   0.325733  1.0214   0.3605    
1 1 1 40 14 22 o 3.24704  0.113107  10.5819      0.734528 10.6172      1.0014   10.5407      1.08068  3.24746  0.154182  3.23385  0.167089  
1 1 1 40 14 23 o 3.10072  0.113859  9.65389      0.706088 9.9089       0.98155  9.38042      1.01648  3.13559  0.156518  3.04924  0.166678  
1 1 1 40 14 24 o 2.75079  0.140344  7.62069      0.772112 7.5995       1.11351  7.64031      1.07156  2.73623  0.203475  2.74519  0.19517   
1 1 1 40 14 25 o 2.02436  0.178894  4.14715      0.724292 4.87584      1.00038  3.34434      1.05003  2.18669  0.228744  1.80015  0.29165   
1 1 1 40 14 26 f 2.05249  0.192402  4.27563      0.789804 4.45509      1.06068  4.0523       1.18324  2.08332  0.254567  1.9772   0.299222  
1 1 1 40 14 27 o 0.934957 0.328335  0.837514     0.762431 0.425449     1.01605  1.36858      1.15346  0.892143 0.362612  1.16262  0.40427   
1 1 1 40 14 28 o 2.86878  0.147383  8.33216      0.845619 9.1151       1.20481  7.57201      1.18716  2.98441  0.201851  2.71472  0.218652  
1 1 1 40 14 29 o 1.86019  0.226767  3.5711       0.84366  2.75876      1.15187  4.51115      1.23913  1.56538  0.372756  2.06628  0.299846  
1 1 1 40 14 30 o 0.549703 0.262816  -0.994529    0.81015  -0.833032    1.12111  -1.17103     1.17204  0.702491 0.327317  0.68156  0.322225  
1 1 1 40 14 31 o 1.01591  0.348424  1.07738      0.854279 0.793636     1.24163  1.33245      1.17721  1.01524  0.405616  1.13225  0.406932  
1 1 1 40 14 32 o 0.737329 0.319584  0.0264551    0.8705   -0.434612    1.21178  0.518106     1.25132  0.781573 0.355194  0.952177 0.396543  
1 1 1 40 14 33 o 0.603276 0.282702  -0.683875    0.858418 -2.20233     1.17321  1.06569      1.25933  0.575544 0.283526  1.04688  0.41155   
1 1 1 40 14 34 o 2.00988  0.222501  4.29521      0.894404 7.07317      1.33307  2.02091      1.20619  2.55017  0.261368  1.27124  0.414046  
1 1 1 40 14 35 o 1.51494  0.314839  2.71509      0.922199 2.51921      1.30977  2.90766      1.29867  1.3674   0.430114  1.47972  0.419529  
1 1 1 40 14 36 o 0.969448 0.354983  1.12855      0.899482 -0.0317637   1.24925  2.37764      1.29616  0.795972 0.361446  1.29547  0.429211  
1 1 1 40 14 37 o 1.17842  0.362688  1.91453      0.938123 2.20829      1.39839  1.67413      1.26502  1.18017  0.440867  1.06988  0.414237  
1 1 1 40 14 38 o 1.06805  0.382075  1.7211       1.03671  1.88163      1.49807  1.57356      1.43616  1.05872  0.436952  1.00604  0.422233  
1 1 1 40 14 39 o 0.839573 0.355369  1.05138      1.03166  1.26957      1.54399  0.875397     1.38663  0.875213 0.398599  0.822448 0.375463  
1 1 1 40 14 40 o 0.987612 0.388338  1.96173      1.12152  1.1209       1.6031   2.76774      1.56956  0.812647 0.381881  1.02789  0.436848  
1 1 1 40 15 0  o 5.13942  0.102865  26.4531      1.05637  26.4531      1.05637  26.4531      1.05637  5.14135  0.072676  ?        ?         
1 1 1 40 15 1  o 2.33922  0.117141  5.47614      0.548038 4.87725      0.755958 6.13957      0.795649 2.20665  0.171291  2.47604  0.16067   
1 1 1 40 15 2  o 12.1669  0.0972691 148.113      2.36693  148.97       3.34767  147.256      3.34702  12.1989  0.137212  12.1284  0.137983  
1 1 1 40 15 3  o 3.27292  0.084605  10.7164      0.553811 11.0258      0.784645 10.4093      0.781776 3.31917  0.118199  3.22499  0.121206  
1 1 1 40 15 4  o 14.3202  0.106643  205.207      3.05431  203.451      4.4447   206.779      4.20421  14.2533  0.155918  14.3707  0.146277  
1 1 1 40 15 5  f 3.83428  0.0733357 14.7066      0.56238  13.4766      0.770551 16.1085      0.822655 3.6698   0.104985  4.01224  0.102518  
1 1 1 40 15 6  f 4.01558  0.0733608 16.1304      0.589172 15.9706      0.838382 16.2863      0.828141 3.9949   0.104932  4.03425  0.102639  
1 1 1 40 15 7  o 2.65272  0.115792  7.04331      0.614327 5.99152      0.880457 8.04114      0.857573 2.44505  0.180049  2.83347  0.151329  
1 1 1 40 15 8  o 5.34007  0.0764149 28.5284      0.816122 29.7095      1.19532  27.497       1.117    5.44824  0.109698  5.24158  0.106552  
1 1 1 40 15 9  o 6.60166  0.079162  43.6033      1.0452   43.7388      1.52375  43.4829      1.43639  6.61006  0.11526   6.59106  0.108965  
1 1 1 40 15 10 o 6.86776  0.0767577 47.1903      1.05431  47.4448      1.46235  46.9148      1.52143  6.88462  0.106204  6.84574  0.111123  
1 1 1 40 15 11 o 6.14498  0.070095  37.7792      0.861464 38.1559      1.22533  37.4109      1.21138  6.17405  0.0992323 6.11349  0.0990743 
1 1 1 40 15 12 o 7.66389  0.0770993 58.7727      1.18176  59.7848      1.68355  57.7897      1.65924  7.72716  0.108937  7.59711  0.109202  
1 1 1 40 15 13 o 3.71054  0.0881603 13.7804      0.654245 14.5504      0.936265 13.0457      0.914601 3.81118  0.122831  3.60854  0.126727  
1 1 1 40 15 14 o 4.52047  0.078951  20.451       0.713792 20.0427      1.02702  20.8325      0.992764 4.47312  0.114798  4.5608   0.108836  
1 1 1 40 15 15 f 1.01096  0.276135  1.06638      0.573942 0.572026     0.816026 1.55033      0.807397 0.884782 0.335286  1.21503  0.325581  
1 1 1 40 15 16 o 6.41235  0.0792466 41.158       1.01631  42.5568      1.394    39.5709      1.48488  6.51775  0.106938  6.28371  0.118153  
1 1 1 40 15 17 o 2.02538  0.146253  4.11738      0.592434 3.89786      0.841179 4.33342      0.834515 1.96646  0.213882  2.07437  0.201149  
1 1 1 40 15 18 o 2.73236  0.118857  7.4862       0.649519 7.81041      0.899338 7.13272      0.939066 2.78771  0.161304  2.66273  0.176335  
1 1 1 40 15 19 o 4.7553   0.0842827 22.6465      0.801579 21.2334      1.08324  24.3568      1.19172  4.60136  0.117708  4.92778  0.120919  
1 1 1 40 15 20 o 6.36277  0.0795521 40.5449      1.01234  40.5581      1.38163  40.5296      1.48757  6.35975  0.108623  6.35612  0.117019  
1 1 1 40 15 21 o 1.8912   0.173338  3.60585      0.655633 2.769        0.846034 4.86398      1.03735  1.64948  0.256455  2.18895  0.236953  
1 1 1 40 15 22 o 4.04851  0.0975971 16.4372      0.790245 18.0782      1.12702  14.8501      1.10837  4.24067  0.132882  3.84167  0.144256  
1 1 1 40 15 23 o 3.60088  0.107075  13.0163      0.771128 14.6188      1.12196  11.5815      1.06162  3.80945  0.14726   3.38906  0.156624  
1 1 1 40 15 24 o 2.20394  0.168033  4.90649      0.740668 4.45132      1.05454  5.34965      1.04053  2.08585  0.252785  2.29167  0.227023  
1 1 1 40 15 25 o 4.01977  0.103182  16.2265      0.829531 16.2635      1.14205  16.1853      1.20691  4.01677  0.14216   4.00514  0.15067   
1 1 1 40 15 26 o 1.50015  0.247656  2.3132       0.743042 2.89929      1.00933  1.61976      1.09789  1.64047  0.319018  1.23288  0.394492  
1 1 1 40 15 27 o 1.14239  0.308084  1.41638      0.720076 2.48391      0.992651 0.230717     1.04613  1.50483  0.338097  0.858868 0.360411  
1 1 1 40 15 28 o 0.594438 0.272602  -0.477631    0.740231 -0.71725     1.00097  -0.188429    1.09967  0.675412 0.312604  0.795991 0.351666  
1 1 1 40 15 29 o 3.21529  0.140142  10.4706      0.901191 11.302       1.22755  9.4988       1.32723  3.32486  0.184601  3.03476  0.218672  
1 1 1 40 15 30 o 1.95751  0.216284  3.96629      0.846755 6.10496      1.19039  1.77582      1.20472  2.41654  0.246301  1.25678  0.413794  
1 1 1 40 15 31 o 1.4556   0.305606  2.35117      0.861352 3.78087      1.23086  0.979093     1.2058   1.83327  0.348285  1.04505  0.404465  
1 1 1 40 15 32 o 2.43369  0.186517  6.11806      0.90785  6.22783      1.24347  5.99275      1.32854  2.4212   0.256787  2.36122  0.281325  
1 1 1 40 15 33 o 1.46304  0.308245  2.44933      0.873683 3.62828      1.17341  0.982637     1.30879  1.76452  0.344801  1.03221  0.414759  
1 1 1 40 15 34 o 2.03281  0.220156  4.40155      0.89507  4.78805      1.26277  4.01128      1.2689   2.06147  0.306278  1.83068  0.359373  
1 1 1 40 15 35 o 0.920931 0.347827  0.92563      0.875792 1.47656      1.25956  0.409968     1.21857  1.08938  0.415459  0.868746 0.377353  
1 1 1 40 15 36 o 2.228    0.217268  5.41997      0.968146 4.59814      1.36183  6.25973      1.37662  1.88939  0.373686  2.3101   0.297956  
1 1 1 40 15 37 o 0.674223 0.30912   -0.131308    0.951243 1.54118      1.37319  -1.67432     1.31897  1.02429  0.419798  0.618734 0.304773  
1 1 1 40 15 38 o 0.957411 0.371134  1.3495       1.01609  0.252152     1.41846  2.50604      1.45621  0.799946 0.370965  1.16716  0.446251  
1 1 1 40 15 39 o 0.52097  0.258158  -1.35289     1.00944  -2.09125     1.54432  -0.802078    1.33383  0.596902 0.298898  0.638007 0.312157  
1 1 1 40 15 40 o 0.903227 0.375196  1.81696      1.11578  1.19578      1.60522  2.39767      1.55204  0.768987 0.368204  0.901813 0.406718  
1 1 1 40 16 0  o 4.84529  0.101608  23.5151      0.983665 23.5151      0.983665 23.5151      0.983665 4.84726  0.0717828 ?        ?         
1 1 1 40 16 1  o 2.23828  0.120633  5.01434      0.540021 5.25393      0.765862 4.77744      0.761566 2.29019  0.167205  2.18371  0.174375  
1 1 1 40 16 2  o 5.09092  0.0679478 25.9248      0.691834 25.5864      0.97196  26.2723      0.984972 5.05685  0.0961032 5.12419  0.09611   
1 1 1 40 16 3  o 8.65675  0.0811208 74.9702      1.40449  73.123       1.90358  77.1771      2.0807   8.54784  0.111349  8.78115  0.118475  
1 1 1 40 16 4  o 11.002   0.0873995 121.103      1.92313  121.029      2.75001  121.174      2.69041  10.9957  0.125049  11.0025  0.122263  
1 1 1 40 16 5  o 6.97088  0.0692797 48.6088      0.965881 49.4262      1.4323   47.9271      1.30806  7.0279   0.101901  6.92084  0.0945015 
1 1 1 40 16 6  o 1.61238  0.186449  2.60613      0.601255 1.85673      0.859063 3.32572      0.841805 1.33115  0.325046  1.82019  0.23124   
1 1 1 40 16 7  o 4.23975  0.0850577 17.9851      0.721246 16.9617      1.06012  18.8671      0.984111 4.11588  0.128784  4.34152  0.113337  
1 1 1 40 16 8  o 4.76138  0.0824623 22.6831      0.785267 22.5321      1.09678  22.8418      1.12482  4.74423  0.115591  4.77663  0.117742  
1 1 1 40 16 9  o 2.12729  0.145904  4.53389      0.62076  3.64801      0.898827 5.34178      0.858346 1.90527  0.235879  2.30769  0.185976  
1 1 1 40 16 10 o 17.9656  0.132129  323.325      4.74756  321.077      6.62546  325.697      6.80632  17.8882  0.18519   18.0152  0.188905  
1 1 1 40 16 11 o 5.31665  0.0816014 28.287       0.867692 26.1989      1.15689  30.972       1.31187  5.11499  0.113089  5.56112  0.11795   
1 1 1 40 16 12 o 8.07445  0.0759942 65.2395      1.22722  64.9673      1.73579  65.5115      1.73532  8.0549   0.107748  8.08861  0.107269  
1 1 1 40 16 13 o 2.06929  0.130721  4.29114      0.541002 4.34513      0.788705 4.24316      0.743481 2.07981  0.18961   2.05568  0.180836  
1 1 1 40 16 14 o 1.81311  0.154215  3.29823      0.55922  4.43518      0.804273 2.2341       0.778089 2.10064  0.191435  1.46363  0.275909  
1 1 1 40 16 15 o 9.13386  0.0824594 83.5122      1.50634  83.048       2.12637  83.9798      2.13423  9.10369  0.116786  9.15465  0.116566  
1 1 1 40 16 16 o 7.56723  0.0852986 57.3324      1.29095  60.1611      1.78818  54.2533      1.86564  7.7477   0.115401  7.35576  0.126815  
1 1 1 40 16 17 o 3.73329  0.0885766 13.9578      0.661364 15.0142      0.928933 12.8718      0.941821 3.86963  0.120029  3.58198  0.131467  
1 1 1 40 16 18 o 6.43367  0.0811674 41.4475      1.04441  39.7999      1.45679  43.1898      1.49811  6.30021  0.115615  6.56326  0.114128  
1 1 1 40 16 19 o 4.11329  0.0879628 16.9482      0.723633 17.0289      0.99603  16.8579      1.0531   4.11997  0.120878  4.09838  0.128477  
1 1 1 40 16 20 o 4.39637  0.0913435 19.3689      0.80316  19.6782      1.11507  19.0354      1.15782  4.42717  0.125934  4.35328  0.132983  
1 1 1 40 16 21 o 1.55428  0.20915   2.44602      0.650153 3.54319      0.870279 1.06032      0.978037 1.86799  0.232945  1.06254  0.371993  
1 1 1 40 16 22 o 2.58802  0.132726  6.73501      0.686994 6.76621      0.952907 6.70124      0.991344 2.58729  0.184152  2.57355  0.192603  
1 1 1 40 16 23 o 3.36359  0.118863  11.3714      0.79961  12.4802      1.17632  10.4189      1.09022  3.51495  0.167331  3.21111  0.169758  
1 1 1 40 16 24 o 2.35313  0.15022   5.58322      0.706974 5.6543       0.965703 5.50114      1.03781  2.35962  0.204631  2.32405  0.223276  
1 1 1 40 16 25 o 3.16526  0.119443  10.0762      0.756135 10.1794      1.04675  9.96367      1.09346  3.17308  0.164942  3.13729  0.174268  
1 1 1 40 16 26 o 2.80437  0.145579  7.94772      0.816515 7.60579      1.13474  8.31484      1.17581  2.72874  0.207924  2.85364  0.206018  
1 1 1 40 16 27 f 3.14694  0.127165  9.99249      0.80036  10.1184      1.10463  9.85338      1.16125  3.15397  0.175117  3.10879  0.186769  
1 1 1 40 16 28 o 2.74948  0.147326  7.6594       0.810142 7.91851      1.08743  7.33619      1.2145   2.78166  0.195464  2.66657  0.227728  
1 1 1 40 16 29 o 4.15399  0.115088  17.4139      0.956148 17.0477      1.32552  17.8111      1.38056  4.09191  0.161968  4.18107  0.165096  
1 1 1 40 16 30 o 2.46353  0.175093  6.21035      0.862693 5.89956      1.20563  6.53644      1.23496  2.37131  0.254212  2.49927  0.247065  
1 1 1 40 16 31 o 2.6999   0.16615   7.46552      0.897176 7.01391      1.22983  7.97927      1.31172  2.58535  0.237847  2.75753  0.237843  
1 1 1 40 16 32 o 1.8447   0.248591  3.62149      0.917154 4.15283      1.24162  2.9834       1.36064  1.93755  0.32041   1.55774  0.425026  
1 1 1 40 16 33 o 2.68761  0.16673   7.47084      0.89621  8.13277      1.24329  6.75488      1.29303  2.76716  0.224652  2.4981   0.258804  
1 1 1 40 16 34 f 1.13175  0.36276   1.55944      0.928073 0.377568     1.26669  2.92919      1.36366  0.889977 0.385624  1.48872  0.432452  
1 1 1 40 16 35 o 1.24429  0.345776  1.95402      0.890891 2.1439       1.21462  1.73292      1.31067  1.24969  0.415492  1.13802  0.426479  
1 1 1 40 16 36 o 0.82565  0.337464  0.643847     0.884961 -1.17732     1.2575   2.43078      1.24563  0.656587 0.317134  1.29201  0.420761  
1 1 1 40 16 37 o 1.2829   0.367088  2.35057      0.989877 2.60675      1.41642  2.106        1.38394  1.23474  0.446108  1.12557  0.433793  
1 1 1 40 16 38 o 0.53117  0.261631  -1.23698     0.977251 -1.24217     1.40481  -1.23212     1.36034  0.638919 0.314719  0.630409 0.310441  
1 1 1 40 16 39 o 0.652232 0.306461  -0.0930163   1.03181  3.13886      1.62497  -2.2764      1.33562  1.14105  0.460632  0.547727 0.275597  
1 1 1 40 17 0  o 15.6679  0.164745  245.786      5.16114  245.786      5.16114  245.786      5.16114  15.6727  0.116442  ?        ?         
1 1 1 40 17 1  o 1.52026  0.174544  2.31586      0.530702 1.24786      0.740334 3.44477      0.76115  1.10167  0.318193  1.85338  0.205341  
1 1 1 40 17 2  o 6.23795  0.0680818 38.9242      0.849382 40.8323      1.23712  37.2227      1.16825  6.38797  0.0968323 6.09913  0.0957718 
1 1 1 40 17 3  o 5.04878  0.0704571 25.4989      0.711444 24.3872      1.02361  26.5377      0.989522 4.93649  0.103678  5.14981  0.0960735 
1 1 1 40 17 4  o 13.2795  0.100073  176.471      2.65785  177.639      3.78472  175.336      3.73333  13.3184  0.142086  13.232   0.141072  
1 1 1 40 17 5  o 10.5423  0.0895031 111.207      1.88714  113.33       2.78804  109.411      2.5637   10.6388  0.131031  10.4541  0.122617  
1 1 1 40 17 6  o 13.6111  0.106105  185.425      2.88841  186.323      4.15149  184.583      4.02126  13.6376  0.152208  13.5744  0.148119  
1 1 1 40 17 7  o 9.31999  0.089389  86.9204      1.66621  91.2611      2.4297   83.0669      2.28931  9.54655  0.127256  9.10804  0.125675  
1 1 1 40 17 8  o 7.47532  0.0802099 55.9134      1.19919  58.155       1.75946  53.9687      1.63878  7.62129  0.115431  7.34215  0.111601  
1 1 1 40 17 9  o 4.79974  0.0815054 23.0531      0.782409 21.2779      1.12761  24.7013      1.08652  4.60931  0.122319  4.96704  0.109373  
1 1 1 40 17 10 o 5.94064  0.0781206 35.3144      0.928173 35.2419      1.32563  35.3841      1.30001  5.93253  0.111726  5.94465  0.109343  
1 1 1 40 17 11 o 6.98027  0.085117  48.7643      1.18828  47.2061      1.6653   50.3806      1.69609  6.86491  0.12129   7.09215  0.119575  
1 1 1 40 17 12 o 5.69279  0.0816535 32.4346      0.929672 33.314       1.31316  31.5509      1.31635  5.76719  0.113848  5.61223  0.117275  
1 1 1 40 17 13 o 2.85886  0.100239  8.18435      0.573141 8.7635       0.875016 7.74918      0.7585   2.95588  0.148013  2.78019  0.136412  
1 1 1 40 17 14 o 3.83697  0.0857733 14.7383      0.65822  14.0408      0.903095 15.5287      0.961361 3.74307  0.120636  3.9363   0.122115  
1 1 1 40 17 15 o 5.87703  0.0861026 34.5808      1.01205  39.391       1.48207  30.3779      1.38534  6.2691   0.118204  5.50452  0.125837  
1 1 1 40 17 16 o 1.57633  0.176737  2.49877      0.557191 1.66668      0.743931 3.56199      0.84093  1.25603  0.299862  1.87885  0.223789  
1 1 1 40 17 17 o 2.53954  0.123544  6.46881      0.627492 7.1352       0.913564 5.87363      0.863376 2.66344  0.171501  2.41594  0.178683  
1 1 1 40 17 18 o 4.01572  0.0888611 16.1531      0.713683 15.3474      0.977249 17.0738      1.04473  3.91116  0.124931  4.12509  0.126631  
1 1 1 40 17 19 o 3.32644  0.100288  11.0917      0.667204 10.7981      0.901467 11.4474      0.992179 3.27868  0.137474  3.37473  0.147001  
1 1 1 40 17 20 o 1.39979  0.231921  1.9884       0.649282 2.08485      0.884766 1.87584      0.955788 1.3975   0.322815  1.32391  0.354005  
1 1 1 40 17 21 o 2.13321  0.149383  4.58113      0.637329 4.57633      0.87493  4.58654      0.930249 2.12578  0.20579   2.12642  0.218736  
1 1 1 40 17 22 o 4.42669  0.0973972 19.6579      0.862295 18.4122      1.18566  21.0566      1.25635  4.27704  0.138607  4.57414  0.137332  
1 1 1 40 17 23 o 4.95214  0.0986367 24.6093      0.976925 26.6294      1.44673  22.916       1.32451  5.14199  0.140678  4.77046  0.138824  
1 1 1 40 17 24 o 2.21736  0.161702  4.96725      0.717102 4.77962      0.97131  5.19204      1.06318  2.16493  0.224329  2.2541   0.235832  
1 1 1 40 17 25 o 2.50046  0.144876  6.30959      0.724513 7.37667      1.00444  5.15223      1.04606  2.69555  0.186314  2.24325  0.233158  
1 1 1 40 17 26 o 2.54437  0.156664  6.55464      0.797224 6.3599       1.09672  6.77284      1.16091  2.49134  0.220106  2.5693   0.225919  
1 1 1 40 17 27 o 1.82678  0.203199  3.41695      0.742399 3.30148      1.00736  3.55423      1.09836  1.77597  0.283606  1.8382   0.298759  
1 1 1 40 17 28 o 1.01422  0.327889  1.0864       0.757038 1.53819      1.01925  0.53048      1.13062  1.18652  0.380146  0.940402 0.382415  
1 1 1 40 17 29 o 2.45321  0.168756  6.1457       0.827989 5.08673      1.1377   7.33822      1.20731  2.20161  0.258378  2.65864  0.227054  
1 1 1 40 17 30 o 1.88968  0.222897  3.7075       0.842407 3.75568      1.17489  3.65651      1.2085   1.83946  0.331456  1.80699  0.346768  
1 1 1 40 17 31 o 0.611215 0.282283  -0.532785    0.810538 -0.859602    1.11053  -0.160223    1.18571  0.688549 0.322462  0.813831 0.361632  
1 1 1 40 17 32 f 1.11     0.356478  1.42417      0.895892 2.16771      1.2053   0.50621      1.33922  1.32897  0.411525  0.951142 0.403856  
1 1 1 40 17 33 o 0.867719 0.339863  0.670615     0.856643 0.0363759    1.14067  1.49105      1.29735  0.810769 0.358182  1.13489  0.424504  
1 1 1 40 17 34 o 3.10672  0.15812   10.0261      0.982467 10.3014      1.39226  9.75298      1.38659  3.09006  0.225281  3.00104  0.231019  
1 1 1 40 17 35 f 0.461764 0.23056   -2.03612     0.877963 -1.22196     1.22081  -2.90829     1.26355  0.65109  0.314003  0.542419 0.27121   
1 1 1 40 17 36 o 1.01251  0.357044  1.36506      0.902422 1.44858      1.27588  1.28144      1.27655  1.02646  0.410729  0.991889 0.405342  
1 1 1 40 17 37 o 1.25353  0.366017  2.2598       0.97441  1.60804      1.39408  2.88237      1.36251  1.01832  0.420969  1.30932  0.440059  
1 1 1 40 17 38 o 0.732773 0.326857  0.472764     0.977151 0.605489     1.40891  0.349749     1.35639  0.797914 0.369904  0.76294  0.357135  
1 1 1 40 17 39 f 0.701692 0.324601  0.29292      1.07748  1.52051      1.62399  -0.672416    1.44011  0.878016 0.403118  0.661021 0.323636  
1 1 1 40 18 0  o 3.18253  0.130935  10.1862      0.830203 10.1862      0.830203 10.1862      0.830203 3.18708  0.0922722 ?        ?         
1 1 1 40 18 1  o 3.01826  0.100364  9.11665      0.60585  8.62729      0.856444 9.60684      0.85716  2.93489  0.145907  3.09728  0.138373  
1 1 1 40 18 2  o 4.83474  0.0692264 23.3831      0.669383 22.9378      0.940383 23.8404      0.953046 4.7876   0.0982104 4.88091  0.09763   
1 1 1 40 18 3  o 5.46952  0.0725632 29.9277      0.793772 31.0955      1.21015  29.0459      1.0516   5.57379  0.108557  5.38744  0.0975975 
1 1 1 40 18 4  o 3.56237  0.0729393 12.6958      0.519673 13.2816      0.743863 12.1374      0.726309 3.64287  0.102099  3.48236  0.104284  
1 1 1 40 18 5  o 11.5823  0.0966793 134.254      2.23954  130.219      3.3318   137.579      3.02478  11.4012  0.146117  11.7212  0.12903   
1 1 1 40 18 6  o 11.0845  0.0944269 122.963      2.09335  124.232      3.01376  121.78       2.90984  11.1369  0.135306  11.0269  0.131944  
1 1 1 40 18 7  o 7.63088  0.079263  58.2656      1.20969  58.6558      1.73352  57.8953      1.68888  7.654    0.113243  7.6044   0.111046  
1 1 1 40 18 8  o 5.34775  0.0791035 28.617       0.846051 28.6552      1.23041  28.5828      1.16525  5.34941  0.115004  5.34301  0.109044  
1 1 1 40 18 9  o 5.18563  0.0805295 26.9097      0.835193 27.3831      1.18777  26.4468      1.17462  5.22923  0.11357   5.13901  0.114285  
1 1 1 40 18 10 o 8.27955  0.0851354 68.6077      1.40977  68.0289      1.97304  69.2114      2.01505  8.24119  0.119706  8.31234  0.121208  
1 1 1 40 18 11 o 5.29616  0.0841413 28.074       0.891252 27.8411      1.23835  28.3242      1.28372  5.27195  0.117447  5.31723  0.120713  
1 1 1 40 18 12 o 9.49235  0.0865026 90.1966      1.64223  88.2253      2.33899  92.1131      2.30627  9.38289  0.124641  9.5881   0.120267  
1 1 1 40 18 13 o 7.07463  0.0746741 50.091       1.05658  51.5425      1.5244   48.7491      1.46579  7.17338  0.106254  6.97641  0.105054  
1 1 1 40 18 14 o 2.74492  0.100914  7.54673      0.554004 6.76364      0.829516 8.17726      0.744345 2.59541  0.159804  2.85572  0.130325  
1 1 1 40 18 15 o 5.36462  0.0778065 28.8097      0.834804 29.2306      1.18175  28.3905      1.17944  5.40082  0.109405  5.32251  0.110797  
1 1 1 40 18 16 o 0.619715 0.2622    0.0291571    0.561231 0.0143997    0.750836 0.0478421    0.84486  0.709317 0.301821  0.758616 0.321372  
1 1 1 40 18 17 o 6.90273  0.0816938 47.7136      1.12782  47.7528      1.56094  47.6709      1.63134  6.90125  0.113091  6.89447  0.118308  
1 1 1 40 18 18 o 1.15703  0.254499  1.41092      0.572982 1.40848      0.778893 1.41379      0.845884 1.15627  0.323964  1.16296  0.341491  
1 1 1 40 18 19 o 2.18947  0.148325  4.8211       0.649505 5.46636      0.898296 4.1142       0.940216 2.32688  0.193026  2.01426  0.23339   
1 1 1 40 18 20 o 3.23145  0.108057  10.4775      0.698361 10.6078      0.909972 10.2908      1.08931  3.24782  0.14009   3.19463  0.170491  
1 1 1 40 18 21 o 5.05035  0.0844445 25.5636      0.852948 25.9732      1.1615   25.0842      1.25661  5.08579  0.11419   4.99578  0.125767  
1 1 1 40 18 22 o 2.18429  0.167096  4.81923      0.729972 4.17608      1.06673  5.38564      1.00107  2.01813  0.264286  2.30103  0.217527  
1 1 1 40 18 23 o 1.36102  0.264085  1.95972      0.693195 0.75026      0.971829 3.21243      0.98905  0.968257 0.366196  1.76692  0.279879  
1 1 1 40 18 24 o 2.85763  0.128137  8.21976      0.732336 8.24376      0.983281 8.18987      1.09746  2.85416  0.172254  2.84048  0.193182  
1 1 1 40 18 25 o 0.980219 0.319835  0.987055     0.719729 1.21937      0.975159 0.709081     1.06669  1.09519  0.372288  0.974246 0.379726  
1 1 1 40 18 26 o 3.49036  0.122981  12.2828      0.858494 11.7662      1.15751  12.9145      1.27988  3.40342  0.170051  3.56243  0.179636  
1 1 1 40 18 27 o 2.17754  0.17215   4.82579      0.749728 4.72404      1.03496  4.93813      1.08754  2.13619  0.242244  2.18189  0.249221  
1 1 1 40 18 28 o 2.46366  0.163338  6.17794      0.804819 7.03681      1.09242  5.1584       1.19023  2.61475  0.208896  2.21836  0.268267  
1 1 1 40 18 29 o 0.932327 0.332742  0.850904     0.78587  0.570407     1.08089  1.16546      1.14462  0.928174 0.375277  1.0856   0.400159  
1 1 1 40 18 30 o 2.90358  0.148572  8.58625      0.862779 7.69587      1.17638  9.6227       1.26921  2.72165  0.216114  3.04744  0.208242  
1 1 1 40 18 31 o 0.720134 0.311777  0.0390882    0.826715 0.727421     1.1462   -0.70728     1.19354  0.964666 0.387925  0.735013 0.340634  
1 1 1 40 18 32 o 1.28313  0.332779  1.92966      0.861035 2.04981      1.21091  1.80678      1.22458  1.2887   0.414497  1.22098  0.417191  
1 1 1 40 18 33 o 0.786248 0.330414  0.326368     0.881354 0.487812     1.21946  0.149814     1.27525  0.90505  0.384863  0.861141 0.3798    
1 1 1 40 18 34 o 1.09033  0.356471  1.47319      0.894058 0.537097     1.20558  2.61719      1.33274  0.889021 0.380493  1.37727  0.433998  
1 1 1 40 18 35 f 0.790025 0.328972  0.477896     0.86104  1.54175      1.21761  -0.586244    1.21778  1.08217  0.409714  0.713732 0.334867  
1 1 1 40 18 36 o 1.19149  0.355162  1.95852      0.909298 1.4872       1.29025  2.4236       1.28168  1.01789  0.410647  1.23911  0.426599  
1 1 1 40 18 37 o 0.974718 0.368266  1.37711      0.982015 1.32197      1.39748  1.4309       1.38024  0.95615  0.409455  0.974926 0.411772  
1 1 1 40 18 38 o 0.739673 0.330912  0.548888     1.00816  1.36891      1.55896  -0.0405576   1.32173  0.878035 0.400057  0.705983 0.337093  
1 1 1 40 18 39 o 0.666568 0.312742  0.224611     1.06228  0.742366     1.55419  -0.229332    1.45526  0.755583 0.361911  0.668838 0.326965  
1 1 1 40 19 0  o 10.6778  0.122355  114.131      2.61219  114.131      2.61219  114.131      2.61219  10.6805  0.0864832 ?        ?         
1 1 1 40 19 1  o 2.94828  0.0940843 8.69875      0.554774 7.87888      0.766091 9.6028       0.804451 2.80474  0.136571  3.09665  0.129891  
1 1 1 40 19 2  o 3.54764  0.0784263 12.5923      0.556457 11.5589      0.769321 13.7262      0.805848 3.39799  0.113202  3.70302  0.10881   
1 1 1 40 19 3  o 3.95216  0.0743331 15.6271      0.587552 14.9221      0.838708 16.3065      0.823354 3.86092  0.108615  4.03629  0.101994  
1 1 1 40 19 4  f 3.65581  0.0803872 13.3728      0.587761 12.5163      0.811368 14.3186      0.852604 3.53572  0.114739  3.78181  0.112724  
1 1 1 40 19 5  o 4.86604  0.0801185 23.693       0.77972  23.1689      1.12224  24.1821      1.08413  4.81027  0.11665   4.91467  0.110295  
1 1 1 40 19 6  o 7.3715   0.0790421 54.374       1.16532  52.4743      1.6261   56.3796      1.67083  7.23926  0.112311  7.5039   0.111331  
1 1 1 40 19 7  o 10.4821  0.0919074 109.974      1.92677  111.468      2.76671  108.567      2.68487  10.5482  0.131145  10.4104  0.128951  
1 1 1 40 19 8  o 2.73458  0.113142  7.4885       0.618792 9.60106      0.913807 5.69944      0.840934 3.09483  0.147634  2.38325  0.176426  
1 1 1 40 19 9  o 5.42253  0.0779059 29.4246      0.844894 29.8611      1.19336  28.9858      1.19637  5.46073  0.109268  5.37997  0.111187  
1 1 1 40 19 10 o 3.22596  0.102536  10.4206      0.661555 11.0343      0.939512 9.81698      0.931697 3.31761  0.141595  3.12885  0.148888  
1 1 1 40 19 11 o 6.16992  0.0777084 38.0993      0.958909 36.7915      1.33184  39.5069      1.38174  6.0606   0.109877  6.28026  0.110006  
1 1 1 40 19 12 o 10.7092  0.0908474 114.823      1.9458   115.702      2.81362  114.018      2.69384  10.743   0.130951  10.6655  0.126287  
1 1 1 40 19 13 f 3.99509  0.0896196 15.9807      0.716076 16.2362      1.03371  15.745       0.992894 4.02418  0.128437  3.96309  0.125268  
1 1 1 40 19 14 o 2.57649  0.103097  6.65048      0.53126  6.21346      0.814597 6.97393      0.700807 2.4869   0.163778  2.63678  0.132891  
1 1 1 40 19 15 o 2.36994  0.117183  5.63119      0.555437 6.12765      0.829342 5.22739      0.747959 2.46884  0.167962  2.28056  0.163986  
1 1 1 40 19 16 o 2.77338  0.10727   7.70969      0.595004 7.88631      0.829171 7.52219      0.854317 2.80205  0.147958  2.73591  0.15613   
1 1 1 40 19 17 o 6.2985   0.0805943 39.7278      1.01525  40.3344      1.43615  39.1219      1.43541  6.34205  0.113224  6.24574  0.114911  
1 1 1 40 19 18 o 1.48388  0.211269  2.22613      0.626994 3.15585      0.866661 1.20515      0.908203 1.76341  0.245734  1.09788  0.35928   
1 1 1 40 19 19 o 0.648171 0.274129  0.0432788    0.613057 0.324105     0.820496 -0.311644    0.922412 0.811748 0.327475  0.717143 0.318792  
1 1 1 40 19 20 o 7.44598  0.0854985 55.5661      1.27324  53.749       1.72202  57.7577      1.89111  7.31595  0.117689  7.5819   0.124712  
1 1 1 40 19 21 o 2.59411  0.136436  6.77188      0.707861 7.08148      1.00711  6.4696       0.995126 2.64472  0.190401  2.5268   0.196914  
1 1 1 40 19 22 o 2.21716  0.16076   4.96134      0.712859 5.95992      1.03293  4.05321      0.985043 2.42145  0.213287  1.99135  0.247331  
1 1 1 40 19 23 o 1.8311   0.188147  3.39956      0.689033 3.10276      0.944195 3.73768      1.00779  1.73643  0.271878  1.90733  0.264188  
1 1 1 40 19 24 o 1.97324  0.173275  3.94405      0.683824 3.92891      0.924764 3.96232      1.01578  1.95862  0.236076  1.96226  0.258829  
1 1 1 40 19 25 o 0.823257 0.315952  0.512931     0.732225 0.450471     1.00448  0.583755     1.06963  0.894087 0.361656  0.944727 0.376777  
1 1 1 40 19 26 o 3.08191  0.128072  9.58776      0.789414 10.5559      1.0946   8.53848      1.13955  3.22228  0.16985   2.88984  0.197166  
1 1 1 40 19 27 o 1.31858  0.289691  1.89412      0.74321  1.16625      1.00695  2.76513      1.10152  1.0736   0.377301  1.57301  0.358059  
1 1 1 40 19 28 o 2.34752  0.174613  5.63189      0.819817 5.93974      1.13084  5.29085      1.19023  2.38957  0.23662   2.24419  0.26518   
1 1 1 40 19 29 o 1.23643  0.320548  1.70849      0.79909  1.33146      1.10954  2.1148       1.15181  1.12345  0.395929  1.35441  0.398737  
1 1 1 40 19 30 o 2.03279  0.208318  4.28973      0.846936 3.03776      1.13638  5.85408      1.27027  1.62742  0.358784  2.34523  0.27082   
1 1 1 40 19 31 o 1.22722  0.33803   1.74673      0.855658 2.1857       1.17617  1.25321      1.24711  1.34415  0.404595  1.09452  0.414572  
1 1 1 40 19 32 o 0.863954 0.340238  0.645071     0.862132 1.0955       1.20003  0.164605     1.2394   1.03558  0.402939  0.8615   0.377363  
1 1 1 40 19 33 o 0.615502 0.288022  -0.596578    0.879943 -1.25678     1.1713   0.258789     1.33323  0.646248 0.310659  0.885256 0.389551  
1 1 1 40 19 34 o 0.986884 0.351128  1.17611      0.874516 1.68569      1.15752  0.498424     1.33486  1.13001  0.403774  0.897597 0.392411  
1 1 1 40 19 35 o 1.18097  0.34622   1.81549      0.870154 2.05944      1.25792  1.59165      1.20496  1.19186  0.421416  1.07913  0.407868  
1 1 1 40 19 36 o 2.21345  0.220751  5.54646      0.977239 4.95504      1.42477  6.07188      1.34291  1.85871  0.395135  2.20424  0.304621  
1 1 1 40 19 37 o 0.933743 0.366534  1.3437       0.997528 0.633046     1.45243  1.97821      1.37241  0.827663 0.380515  1.03681  0.421425  
1 1 1 40 19 38 o 1.14073  0.367673  2.16691      0.952414 0.911717     1.36147  3.36984      1.33282  0.818297 0.373112  1.30548  0.435239  
1 1 1 40 19 39 o 0.543617 0.268372  -0.916335    1.06556  -1.56875     1.52956  -0.301149    1.48527  0.581627 0.292669  0.648722 0.319486  
1 1 1 40 20 0  o 1.51454  0.259721  2.49261      0.717252 2.49261      0.717252 2.49261      0.717252 1.55111  0.167989  ?        ?         
1 1 1 40 20 1  o 3.67575  0.080136  13.5195      0.58912  14.4683      0.842589 12.6122      0.824006 3.80147  0.110824  3.54907  0.116088  
1 1 1 40 20 2  o 4.80107  0.0696039 23.0613      0.668347 22.0162      0.932221 24.1666      0.958708 4.68988  0.0993865 4.91367  0.0975551 
1 1 1 40 20 3  o 3.6208   0.0754537 13.1178      0.546405 12.474       0.76119  13.8021      0.784819 3.5298   0.107824  3.71303  0.105684  
1 1 1 40 20 4  o 7.47526  0.0798685 55.9166      1.19408  56.2497      1.66234  55.5617      1.71631  7.49522  0.110893  7.44887  0.115206  
1 1 1 40 20 5  o 5.47783  0.075872  30.025       0.831229 29.1963      1.20828  30.7697      1.14532  5.39978  0.111882  5.54391  0.103295  
1 1 1 40 20 6  f 5.9529   0.0765094 35.4597      0.910905 34.5168      1.27893  36.4306      1.2977   5.87129  0.108914  6.03196  0.107569  
1 1 1 40 20 7  o 10.6923  0.0883849 114.427      1.89008  117.929      2.76969  111.376      2.58575  10.8495  0.127642  10.5445  0.122612  
1 1 1 40 20 8  o 6.17075  0.0745684 38.1035      0.920286 37.1114      1.29521  39.115       1.30784  6.08778  0.106378  6.25009  0.104626  
1 1 1 40 20 9  o 15.9995  0.125645  256.503      4.02052  257.613      5.78899  255.47       5.58807  16.0168  0.180717  15.952   0.175153  
1 1 1 40 20 10 o 0.763534 0.287822  0.430955     0.598713 1.47714      0.837165 -0.664336    0.856586 1.19013  0.336646  0.632392 0.291349  
1 1 1 40 20 11 o 3.0117   0.105881  9.08515      0.637763 8.53815      0.891701 9.65801      0.912527 2.91702  0.152845  3.10282  0.147048  
1 1 1 40 20 12 o 1.29403  0.242675  1.74386      0.604875 2.47058      0.880733 1.09506      0.832175 1.53613  0.297282  1.05434  0.343913  
1 1 1 40 20 13 o 6.84053  0.0823609 46.8471      1.12679  47.5529      1.60268  46.1572      1.58451  6.88785  0.116341  6.78596  0.116749  
1 1 1 40 20 14 o 3.35107  0.0954202 11.2487      0.63952  12.7338      0.891637 9.6753       0.917764 3.56325  0.125116  3.1042   0.147826  
1 1 1 40 20 15 o 5.60204  0.075892  31.4192      0.8503   30.5172      1.1412   32.545       1.27489  5.51833  0.103401  5.69768  0.111878  
1 1 1 40 20 16 o 3.805    0.0886804 14.5024      0.674859 13.6562      0.933389 15.4293      0.976885 3.68917  0.126504  3.92156  0.124553  
1 1 1 40 20 17 o 2.84761  0.110691  8.13248      0.630407 8.08939      0.874155 8.17917      0.909986 2.8362   0.154107  2.85132  0.159573  
1 1 1 40 20 18 o 4.31087  0.0919827 18.6261      0.79305  19.4718      1.09512  17.6934      1.14998  4.40358  0.124344  4.19581  0.137039  
1 1 1 40 20 19 o 1.64437  0.184411  2.73105      0.60648  2.69107      0.831994 2.77639      0.885929 1.62492  0.256011  1.6489   0.268642  
1 1 1 40 20 20 f 6.74766  0.0861565 45.6397      1.16271  46.0642      1.689    45.2574      1.603    6.76987  0.124744  6.71174  0.119418  
1 1 1 40 20 21 o 1.49267  0.229524  2.27044      0.685207 1.60401      0.994321 2.87313      0.945575 1.22807  0.372479  1.64513  0.298371  
1 1 1 40 20 22 o 2.59991  0.144777  6.81194      0.752816 6.66466      1.08049  6.95089      1.04947  2.56045  0.210996  2.61693  0.200516  
1 1 1 40 20 23 o 3.98167  0.102808  15.9208      0.818696 15.2247      1.09844  16.7908      1.22798  3.88624  0.141325  4.07903  0.150524  
1 1 1 40 20 24 o 3.28343  0.114535  10.8511      0.752133 10.8272      1.04718  10.8767      1.08098  3.26987  0.160125  3.27608  0.164981  
1 1 1 40 20 25 o 3.16095  0.12999   10.0826      0.821783 9.28664      1.10619  11.0629      1.22763  3.02014  0.183135  3.29533  0.186268  
1 1 1 40 20 26 o 0.496447 0.239161  -1.01434     0.703459 -0.778639    0.949621 -1.30098     1.0472   0.644578 0.300686  0.622419 0.297874  
1 1 1 40 20 27 o 0.612179 0.278178  -0.373141    0.742771 -1.49415     1.00722  0.963286     1.09974  0.583111 0.282019  1.03343  0.389931  
1 1 1 40 20 28 o 1.55942  0.253486  2.54895      0.790579 3.04135      1.08654  1.99499      1.15246  1.64866  0.341077  1.31945  0.40117   
1 1 1 40 20 29 o 0.60651  0.27882   -0.487217    0.779664 -0.836676    1.07007  -0.0917558   1.13832  0.679205 0.317748  0.814633 0.359118  
1 1 1 40 20 30 o 1.35309  0.306683  2.05457      0.810921 1.38146      1.09322  2.87802      1.20915  1.12316  0.393281  1.56404  0.38794   
1 1 1 40 20 31 o 1.06398  0.346166  1.29398      0.843115 3.07337      1.18148  -0.552384    1.20351  1.6024   0.374936  0.749552 0.345333  
1 1 1 40 20 32 o 2.20443  0.206546  5.12739      0.910634 5.92164      1.30208  4.36698      1.27404  2.31773  0.280895  1.95976  0.32505   
1 1 1 40 20 33 o 1.40784  0.320631  2.36772      0.882891 2.6065       1.19053  2.07592      1.31608  1.41382  0.401951  1.24783  0.432027  
1 1 1 40 20 34 o 0.73477  0.32133   0.165709     0.895661 0.266677     1.16862  0.0219604    1.39439  0.823475 0.363331  0.836741 0.380466  
1 1 1 40 20 35 o 1.44051  0.331868  2.672        0.937077 2.7894       1.35478  2.56431      1.29752  1.3397   0.43881   1.29372  0.429437  
1 1 1 40 20 36 o 1.96453  0.255398  4.55859      1.00347  5.11895      1.42442  4.00648      1.41389  1.89353  0.389478  1.59483  0.432426  
1 1 1 40 20 37 o 0.872827 0.353236  1.16006      0.958936 0.495939     1.37012  1.79775      1.34258  0.78402  0.363967  0.977052 0.409069  
1 1 1 40 20 38 o 0.525547 0.258162  -1.01756     0.931005 -0.835762    1.32789  -1.19332     1.30567  0.633456 0.310288  0.603061 0.297564  
1 1 1 40 21 0  o 1.04861  0.386666  1.47884      0.748232 1.47884      0.748232 1.47884      0.748232 1.12988  0.270081  ?        ?         
1 1 1 40 21 1  o 4.11844  0.0771699 16.9724      0.63564  15.829       0.871514 18.2718      0.929109 3.97603  0.109596  4.27188  0.108747  
1 1 1 40 21 2  o 5.44554  0.0684585 29.6689      0.745587 29.7913      1.04272  29.5407      1.06652  5.45547  0.0955662 5.43234  0.0981645 
1 1 1 40 21 3  o 10.4589  0.0842155 109.472      1.7616   108.154      2.47294  110.83       2.51002  10.3917  0.118986  10.5195  0.119304  
1 1 1 40 21 4  o 9.11648  0.0870232 83.18        1.58669  81.8676      2.26033  84.4551      2.22786  9.04023  0.125015  9.18245  0.121311  
1 1 1 40 21 5  o 10.0704  0.0898589 101.506      1.80983  100.883      2.53908  102.15       2.5804   10.0349  0.126512  10.0975  0.127774  
1 1 1 40 21 6  o 2.19727  0.132127  4.83796      0.580639 4.53743      0.824023 5.13434      0.818301 2.12539  0.193852  2.26152  0.180918  
1 1 1 40 21 7  o 3.13976  0.0987603 9.87006      0.620167 10.0195      0.891355 9.72987      0.86341  3.16144  0.140973  3.11554  0.138565  
1 1 1 40 21 8  o 3.13706  0.102026  9.85474      0.640126 8.80827      0.898781 10.932       0.911911 2.96335  0.151649  3.30218  0.138077  
1 1 1 40 21 9  o 5.3782   0.0796997 28.9507      0.857282 28.2554      1.22692  29.614       1.19835  5.31061  0.115516  5.43724  0.110198  
1 1 1 40 21 10 o 1.9354   0.160606  3.76         0.621674 4.57259      0.872566 2.92229      0.885946 2.13175  0.204659  1.70094  0.260429  
1 1 1 40 21 11 o 6.45745  0.0797554 41.7403      1.03003  40.5691      1.48137  42.8366      1.4332   6.36256  0.116413  6.53875  0.109593  
1 1 1 40 21 12 o 7.28528  0.0798752 53.1331      1.16383  50.7253      1.66173  55.4513      1.63051  7.11384  0.116796  7.43889  0.109594  
1 1 1 40 21 13 o 0.937407 0.27722   0.90431      0.555537 1.67979      0.77405  0.0805471    0.797784 1.26015  0.309062  0.746207 0.314009  
1 1 1 40 21 14 o 3.08248  0.102205  9.52149      0.630091 10.3135      0.874974 8.66829      0.908117 3.20554  0.136478  2.93722  0.154588  
1 1 1 40 21 15 o 5.31366  0.077867  28.2711      0.827518 26.9321      1.12054  29.8775      1.22731  5.18328  0.108092  5.45881  0.112415  
1 1 1 40 21 16 o 3.17764  0.0975417 10.1196      0.619904 10.6269      0.87687  9.6128       0.876483 3.25307  0.134776  3.09329  0.141675  
1 1 1 40 21 17 o 2.71613  0.119597  7.40483      0.649683 8.37164      0.944984 6.53825      0.89466  2.88338  0.163867  2.54686  0.17564   
1 1 1 40 21 18 o 4.83758  0.0824351 23.4479      0.797573 23.166       1.09985  23.7605      1.15829  4.80414  0.114469  4.86466  0.119052  
1 1 1 40 21 19 o 1.92118  0.160502  3.7206       0.616709 4.04494      0.885069 3.41452      0.859796 1.99587  0.221725  1.83208  0.23465   
1 1 1 40 21 20 o 2.78081  0.125403  7.77524      0.697442 7.34993      0.994352 8.1871       0.978503 2.69502  0.18448   2.84659  0.171873  
1 1 1 40 21 21 o 0.593335 0.268355  -0.344375    0.680446 0.398288     0.950742 -1.12427     0.974282 0.872611 0.35231   0.617864 0.292901  
1 1 1 40 21 22 o 5.31339  0.10146   28.3469      1.0782   28.9095      1.49964  27.745       1.55128  5.35603  0.139995  5.24472  0.147889  
1 1 1 40 21 23 o 3.94966  0.108682  15.6803      0.858518 15.8605      1.20878  15.4969      1.21955  3.96235  0.152533  3.91582  0.155721  
1 1 1 40 21 24 o 0.953987 0.322089  0.910881     0.729911 -0.449761    0.99566  2.49169      1.07319  0.715979 0.324179  1.5014   0.361249  
1 1 1 40 21 25 f 0.687759 0.298685  -0.0519756   0.763196 -0.787734    1.03768  0.815019     1.12642  0.681288 0.316457  1.00863  0.390811  
1 1 1 40 21 26 o 1.71551  0.218396  3.02988      0.749321 4.3493       1.03644  1.585        1.0846   2.04485  0.253428  1.20648  0.392623  
1 1 1 40 21 27 o 1.88307  0.206508  3.65286      0.777739 4.37557      1.08407  2.88637      1.11642  2.04161  0.265493  1.60105  0.35775   
1 1 1 40 21 28 o 3.4119   0.13718   11.8078      0.936086 11.786       1.28349  11.8325      1.36823  3.38706  0.189469  3.38761  0.201946  
1 1 1 40 21 29 o 1.80016  0.229225  3.38945      0.825284 2.79738      1.10176  4.14635      1.24571  1.56047  0.360083  1.95147  0.319172  
1 1 1 40 21 30 o 1.134    0.336493  1.47155      0.817475 0.973569     1.09225  2.10572      1.2326   1.00743  0.386103  1.32204  0.417488  
1 1 1 40 21 31 o 1.40733  0.298977  2.2608       0.816162 2.49745      1.10716  1.97914      1.20786  1.43262  0.380069  1.26644  0.414334  
1 1 1 40 21 32 o 1.05372  0.343947  1.30509      0.832337 2.29521      1.18045  0.326112     1.17379  1.34269  0.405567  0.863046 0.372546  
1 1 1 40 21 33 o 0.588599 0.279896  -0.800457    0.895852 -1.3156      1.22288  -0.203766    1.31611  0.647877 0.312894  0.798402 0.365028  
1 1 1 40 21 34 o 0.689924 0.309831  -0.0547997   0.891253 -1.92697     1.22426  2.05613      1.29999  0.591228 0.291188  1.20337  0.428111  
1 1 1 40 21 35 o 0.576298 0.276666  -0.812111    0.921336 -0.863458    1.33456  -0.765355    1.27352  0.690388 0.331811  0.684938 0.327961  
1 1 1 40 21 36 f 0.707923 0.319146  0.153499     0.954681 -0.066116    1.35643  0.369075     1.3439   0.759353 0.355757  0.810613 0.369901  
1 1 1 40 21 37 o 0.88129  0.353162  1.24622      0.945279 1.047        1.41504  1.40677      1.2703   0.838816 0.381907  0.893555 0.38666   
1 1 1 40 21 38 o 0.647203 0.303775  0.0960145    1.00579  0.492403     1.5066   -0.222684    1.35091  0.739461 0.354704  0.663357 0.322238  
1 1 1 40 22 0  o 14.8961  0.16339   222.31       4.86643  222.31       4.86643  222.31       4.86643  14.9031  0.115465  ?        ?         
1 1 1 40 22 1  o 8.26832  0.0764254 68.4107      1.26382  69.03        1.82858  67.8443      1.74872  8.30266  0.11012   8.23145  0.106222  
1 1 1 40 22 2  o 6.46547  0.0725771 41.8276      0.93849  42.5879      1.40664  41.2177      1.2599   6.52155  0.107845  6.41652  0.0981764 
1 1 1 40 22 3  f 7.77025  0.0773389 60.4191      1.20188  60.2397      1.79473  60.5651      1.61836  7.7553   0.11571   7.77739  0.104043  
1 1 1 40 22 4  o 9.91849  0.0900162 98.4728      1.78565  98.0548      2.60397  98.8438      2.45334  9.89188  0.131622  9.93285  0.123496  
1 1 1 40 22 5  f 5.69695  0.0760313 32.4788      0.866293 33.169       1.26171  31.8632      1.19155  5.75491  0.10962   5.6408   0.105619  
1 1 1 40 22 6  o 6.08409  0.0765017 37.0446      0.930886 37.7934      1.31731  36.2976      1.31564  6.143    0.10722   6.02003  0.109272  
1 1 1 40 22 7  f 2.77184  0.111217  7.69616      0.616548 6.40772      0.872222 8.98287      0.87164  2.52617  0.172638  2.99277  0.145624  
1 1 1 40 22 8  o 5.46625  0.077963  29.9058      0.85233  29.6695      1.23478  30.1209      1.17798  5.44193  0.113451  5.48371  0.107407  
1 1 1 40 22 9  o 4.44095  0.0822196 19.742       0.730266 19.5446      1.06477  19.9173      1.00346  4.41608  0.120556  4.45861  0.112531  
1 1 1 40 22 10 o 1.77848  0.171296  3.17778      0.609293 4.303        0.872605 2.10725      0.851137 2.06697  0.211084  1.41365  0.30953   
1 1 1 40 22 11 o 5.45927  0.0780272 29.8348      0.851943 29.9204      1.18914  29.7446      1.22115  5.46435  0.108809  5.44794  0.112075  
1 1 1 40 22 12 o 5.38911  0.0766485 29.0741      0.826134 29.8378      1.1641   28.2991      1.1726   5.45664  0.106669  5.31369  0.110338  
1 1 1 40 22 13 o 1.85715  0.153401  3.46517      0.569777 3.05184      0.778869 3.94103      0.835703 1.73832  0.224029  1.97646  0.211414  
1 1 1 40 22 14 o 3.1271   0.103011  9.80051      0.644253 10.1155      0.86126  9.40035      0.97076  3.17441  0.135657  3.058    0.158725  
1 1 1 40 22 15 o 4.75381  0.0829744 22.6341      0.78889  23.5929      1.04076  21.3394      1.20947  4.85092  0.107275  4.61047  0.131165  
1 1 1 40 22 16 o 2.40571  0.119539  5.80836      0.575154 4.99192      0.812304 6.62918      0.814481 2.22494  0.182545  2.56659  0.15867   
1 1 1 40 22 17 o 2.03705  0.138484  4.17195      0.564197 3.64275      0.797186 4.70304      0.798605 1.89695  0.210123  2.15837  0.185002  
1 1 1 40 22 18 o 3.56583  0.0951255 12.7501      0.678403 12.3544      0.934466 13.191       0.986456 3.50544  0.133288  3.62176  0.136185  
1 1 1 40 22 19 o 0.749007 0.288017  0.395385     0.609366 -0.252096    0.884475 0.980409     0.840735 0.709351 0.31413   1.00728  0.345633  
1 1 1 40 22 20 o 0.669726 0.279267  0.114746     0.621842 0.0223339    0.866518 0.212873     0.892911 0.75536  0.322911  0.808542 0.335738  
1 1 1 40 22 21 o 2.22207  0.162917  4.98715      0.724027 5.23622      1.09433  4.79324      0.965571 2.2633   0.241755  2.16904  0.22258   
1 1 1 40 22 22 o 2.74535  0.138723  7.59526      0.761684 6.69222      1.08521  8.47209      1.06934  2.5637   0.211648  2.89066  0.184964  
1 1 1 40 22 23 o 4.19432  0.0995794 17.6792      0.835336 16.7278      1.1607   18.7014      1.20313  4.06955  0.142608  4.30377  0.139776  
1 1 1 40 22 24 o 2.28387  0.169224  5.29692      0.772969 5.16082      1.05215  5.45652      1.13934  2.2384   0.235023  2.29787  0.247911  
1 1 1 40 22 25 o 0.650904 0.287305  -0.156714    0.731726 0.757283     1.05543  -1.00263     1.01536  0.976196 0.378285  0.643306 0.302773  
1 1 1 40 22 26 o 2.31754  0.164399  5.46595      0.762002 5.34809      1.05673  5.59361      1.09982  2.27256  0.232498  2.32267  0.236759  
1 1 1 40 22 27 o 3.13688  0.135207  9.97456      0.848255 9.46577      1.14378  10.5964      1.26451  3.03674  0.188324  3.20908  0.197021  
1 1 1 40 22 28 o 2.76641  0.157456  7.80095      0.871177 8.40673      1.21593  7.16198      1.24879  2.84926  0.213376  2.61873  0.238434  
1 1 1 40 22 29 o 2.06098  0.198404  4.39553      0.817815 4.07959      1.12488  4.74976      1.19109  1.94908  0.288566  2.10596  0.282791  
1 1 1 40 22 30 o 0.762335 0.317702  0.286747     0.804072 -0.374505    1.11382  1.00639      1.16196  0.745947 0.339411  1.0189   0.396487  
1 1 1 40 22 31 o 1.80324  0.241151  3.48928      0.869709 2.84601      1.21632  4.16224      1.24406  1.51501  0.396738  1.88736  0.342169  
1 1 1 40 22 32 o 1.18286  0.345465  1.70686      0.867955 0.681853     1.21767  2.76556      1.23752  0.930962 0.389661  1.45976  0.408143  
1 1 1 40 22 33 o 1.14375  0.358456  1.6747       0.910808 1.17192      1.30572  2.15118      1.27113  1.01314  0.411308  1.24323  0.425046  
1 1 1 40 22 34 o 1.59343  0.299217  3.07968      0.918437 3.46507      1.27707  2.66681      1.32181  1.57631  0.403391  1.3351   0.433428  
1 1 1 40 22 35 o 0.976181 0.3585    1.32351      0.91798  0.98823      1.34468  1.61615      1.25627  0.913865 0.396666  1.03131  0.409262  
1 1 1 40 22 36 o 1.75824  0.283295  3.94621      0.996199 2.80305      1.42494  5.0391       1.39327  1.19661  0.445424  1.80569  0.396581  
1 1 1 40 22 37 o 0.695442 0.315383  0.331012     0.946073 1.93252      1.36623  -1.14441     1.31135  0.974321 0.410507  0.611276 0.301058  
1 1 1 40 22 38 o 0.673752 0.313695  0.430507     1.02733  2.09804      1.50603  -1.0207      1.40496  0.871019 0.395879  0.594012 0.295893  
1 1 1 40 23 0  f 4.31145  0.105145  18.6347      0.90544  18.6347      0.90544  18.6347      0.90544  4.31412  0.0742527 ?        ?         
1 1 1 40 23 1  o 0.614825 0.254788  0.0961841    0.512633 0.0676331    0.735403 0.123171     0.714975 0.717277 0.301643  0.722039 0.300162  
1 1 1 40 23 2  f 4.95699  0.0693664 24.5869      0.687697 24.1873      0.971622 24.988       0.973481 4.91498  0.098843  4.99576  0.0974308 
1 1 1 40 23 3  o 6.14109  0.0666597 37.7349      0.818726 38.4709      1.18338  37.0592      1.13391  6.19879  0.0954526 6.08417  0.0931852 
1 1 1 40 23 4  o 6.79676  0.0746024 46.2306      1.01411  46.8199      1.48361  45.7138      1.38936  6.83708  0.108497  6.75639  0.102818  
1 1 1 40 23 5  o 2.71141  0.109838  7.36401      0.59563  6.29583      0.847595 8.40615      0.837198 2.50418  0.169236  2.89514  0.144587  
1 1 1 40 23 6  o 7.73238  0.079331  59.8432      1.22683  58.9283      1.67297  60.9077      1.80449  7.66995  0.10906   7.79687  0.115719  
1 1 1 40 23 7  o 4.18096  0.0814741 17.4975      0.681281 17.676       0.983651 17.333       0.944494 4.2      0.117101  4.15931  0.11354   
1 1 1 40 23 8  o 2.82627  0.106427  8.00176      0.601584 7.88766      0.864626 8.10882      0.837556 2.80331  0.154215  2.8428   0.147312  
1 1 1 40 23 9  o 5.10295  0.080133  26.0675      0.817831 25.5551      1.14083  26.6093      1.17301  5.04989  0.112956  5.15291  0.11382   
1 1 1 40 23 10 o 1.77678  0.165417  3.17211      0.587819 4.38709      0.826882 1.9308       0.835792 2.08733  0.198072  1.35138  0.314798  
1 1 1 40 23 11 o 2.69534  0.111657  7.28178      0.601908 7.63157      0.870736 6.96168      0.832973 2.7561   0.157965  2.63234  0.158219  
1 1 1 40 23 12 o 4.10985  0.0842955 16.9148      0.692884 16.2273      0.933235 17.7593      1.03432  4.02294  0.115989  4.20786  0.122903  
1 1 1 40 23 13 o 3.04155  0.106314  9.27293      0.646722 8.82379      0.878268 9.80493      0.955857 2.96373  0.148169  3.1237   0.153001  
1 1 1 40 23 14 o 1.04008  0.276126  1.13945      0.584125 0.735054     0.774285 1.67362      0.889882 0.918336 0.330027  1.25667  0.3441    
1 1 1 40 23 15 f 1.01909  0.276334  1.09351      0.577356 1.75607      0.800776 0.376216     0.8332   1.2844   0.313947  0.831537 0.332255  
1 1 1 40 23 16 o 7.00066  0.0844234 49.1061      1.18204  52.8918      1.74701  45.9098      1.60528  7.25825  0.120347  6.7626   0.118688  
1 1 1 40 23 17 o 1.99016  0.143534  3.98506      0.571313 4.4729       0.810641 3.50363      0.805302 2.10338  0.1927    1.85892  0.216605  
1 1 1 40 23 18 o 2.11828  0.14181   4.5162       0.600786 5.30409      0.85051  3.73154      0.848773 2.29017  0.185687  1.9164   0.22145   
1 1 1 40 23 19 o 2.74683  0.117933  7.58301      0.647882 8.04826      0.901284 7.08553      0.931972 2.82392  0.15958   2.64701  0.176042  
1 1 1 40 23 20 o 4.72594  0.091874  22.4028      0.868382 20.8823      1.24943  23.8236      1.20779  4.55407  0.137177  4.86727  0.124072  
1 1 1 40 23 21 o 1.11545  0.296475  1.33332      0.672906 1.74638      0.984843 0.971636     0.921571 1.27124  0.366938  1.01706  0.360593  
1 1 1 40 23 22 o 2.61065  0.139929  6.87621      0.730612 7.11984      1.03922  6.63811      1.02737  2.64517  0.196437  2.55303  0.201205  
1 1 1 40 23 23 o 1.37005  0.26819   2.00583      0.708663 2.73035      0.991726 1.24988      1.01301  1.58497  0.324044  1.10857  0.379445  
1 1 1 40 23 24 o 2.04587  0.190914  4.27341      0.78117  3.71133      1.10518  4.8346       1.1043   1.88015  0.293907  2.15835  0.255821  
1 1 1 40 23 25 o 1.73273  0.216692  3.08973      0.750939 2.29797      1.06815  3.86347      1.05593  1.42911  0.370654  1.92066  0.274887  
1 1 1 40 23 26 o 1.85864  0.202211  3.554        0.751672 2.93958      1.04825  4.20431      1.07844  1.62729  0.333568  1.99996  0.269615  
1 1 1 40 23 27 o 1.72194  0.230435  3.08465      0.793589 2.71544      1.09881  3.48721      1.14738  1.54571  0.361518  1.76992  0.336282  
1 1 1 40 23 28 o 0.623427 0.285694  -0.462921    0.811454 -0.681182    1.11126  -0.213605    1.18769  0.713273 0.32984   0.807412 0.360246  
1 1 1 40 23 29 o 1.63588  0.242419  2.83148      0.793136 3.27565      1.10575  2.36078      1.13829  1.6951   0.338136  1.40843  0.390671  
1 1 1 40 23 30 o 0.937898 0.337092  0.92641      0.807807 0.166661     1.11155  1.77682      1.176    0.829285 0.36031   1.21259  0.408832  
1 1 1 40 23 31 o 1.47989  0.291411  2.49723      0.831788 2.24468      1.16917  2.75605      1.18361  1.33346  0.403795  1.48555  0.392453  
1 1 1 40 23 32 f 1.86088  0.240692  3.78878      0.895798 3.70636      1.23284  3.88096      1.30384  1.72247  0.368576  1.74985  0.383068  
1 1 1 40 23 33 f 0.79007  0.328498  0.477116     0.856559 1.31826      1.217    -0.348622    1.2058   1.03293  0.404982  0.741603 0.343186  
1 1 1 40 23 34 o 0.911604 0.355202  1.02295      0.933212 0.70041      1.24907  1.43046      1.404    0.877407 0.381594  1.01868  0.421872  
1 1 1 40 23 35 o 0.615574 0.290545  -0.497064    0.947919 -0.792455    1.28412  -0.143357    1.40516  0.674957 0.324659  0.765015 0.359069  
1 1 1 40 23 36 o 0.587557 0.282079  -0.546902    0.957914 -1.32        1.3454   0.247944     1.36419  0.613832 0.302682  0.752598 0.353341  
1 1 1 40 23 37 o 0.995764 0.371128  1.75485      0.989846 0.0102279    1.33272  3.90136      1.47827  0.706014 0.337438  1.34242  0.458373  
1 1 1 40 24 0  o 10.4493  0.122704  109.347      2.56355  109.347      2.56355  109.347      2.56355  10.4531  0.0867199 ?        ?         
1 1 1 40 24 1  o 1.89068  0.140471  3.58451      0.53117  3.17755      0.741332 4.01384      0.761447 1.77717  0.20857   1.9984   0.190515  
1 1 1 40 24 2  o 3.54779  0.0780873 12.5976      0.554074 12.2631      0.756086 12.9855      0.814308 3.499    0.108043  3.6003   0.113089  
1 1 1 40 24 3  f 4.84213  0.0716557 23.4634      0.693933 23.2983      0.966034 23.6394      0.997459 4.82338  0.100141  4.85838  0.102654  
1 1 1 40 24 4  o 1.76264  0.163874  3.11898      0.577701 2.54298      0.838471 3.63951      0.797084 1.58661  0.264233  1.90166  0.209575  
1 1 1 40 24 5  o 3.68207  0.0861259 13.5726      0.634243 12.8157      0.900478 14.3177      0.893474 3.57566  0.125918  3.77992  0.118187  
1 1 1 40 24 6  o 4.2637   0.0812594 18.1976      0.692932 19.5159      0.989608 16.9294      0.970576 4.41338  0.112115  4.1101   0.118072  
1 1 1 40 24 7  o 3.29345  0.0937716 10.8621      0.617664 10.4365      0.878681 11.2778      0.868427 3.22572  0.136199  3.35369  0.129473  
1 1 1 40 24 8  o 3.86014  0.0866814 14.9197      0.669205 15.6419      0.958519 14.2329      0.934728 3.95002  0.121331  3.7677   0.124045  
1 1 1 40 24 9  o 4.14935  0.0844299 17.2391      0.700659 16.8206      0.976807 17.6827      1.00558  4.09604  0.119238  4.19966  0.119722  
1 1 1 40 24 10 o 4.32943  0.0831542 18.7686      0.72002  19.203       1.01607  18.3305      1.02047  4.37651  0.116083  4.27562  0.119335  
1 1 1 40 24 11 o 6.20917  0.0774811 38.6003      0.962187 39.9618      1.36727  37.2646      1.3543   6.31413  0.10827   6.09695  0.111064  
1 1 1 40 24 12 o 0.667198 0.271273  0.181498     0.568839 0.449449     0.766496 -0.146997    0.848687 0.828753 0.322121  0.718443 0.313501  
1 1 1 40 24 13 o 6.32816  0.0810427 40.1049      1.0257   38.6263      1.45188  41.5781      1.44925  6.20548  0.116984  6.43897  0.112537  
1 1 1 40 24 14 o 1.4101   0.202114  2.0084       0.570001 1.80999      0.780617 2.23501      0.834261 1.30525  0.304345  1.45398  0.297156  
1 1 1 40 24 15 o 5.89959  0.0850618 34.8743      1.00366  34.5231      1.38089  35.2677      1.4613   5.86458  0.117731  5.92641  0.123287  
1 1 1 40 24 16 o 2.43507  0.126783  5.95755      0.617448 6.33681      0.829918 5.48738      0.924055 2.5073   0.165501  2.32917  0.198366  
1 1 1 40 24 17 o 6.58736  0.092334  43.5104      1.21647  46.4677      1.73884  40.6755      1.70244  6.79898  0.127875  6.35955  0.133849  
1 1 1 40 24 18 o 1.28096  0.231543  1.72117      0.571454 2.05667      0.813495 1.39432      0.802925 1.38628  0.301812  1.14514  0.331573  
1 1 1 40 24 19 o 3.48918  0.0977293 12.216       0.68199  12.9188      0.952938 11.4781      0.976451 3.58283  0.132987  3.3752   0.144651  
1 1 1 40 24 20 o 3.13479  0.118699  9.88111      0.744196 9.32348      1.11364  10.3311      1.00036  3.03349  0.183558  3.19892  0.156358  
1 1 1 40 24 21 o 1.92841  0.174947  3.76579      0.674739 3.07577      0.983212 4.38003      0.92766  1.72478  0.285026  2.07128  0.223934  
1 1 1 40 24 22 o 0.910721 0.306782  0.825679     0.662183 0.919184     0.944706 0.735364     0.928443 1.00056  0.364048  0.944833 0.357755  
1 1 1 40 24 23 o 0.903375 0.317911  0.781267     0.71512  0.460431     0.960099 1.18106      1.07175  0.880062 0.354568  1.09423  0.388774  
1 1 1 40 24 24 o 3.63363  0.117368  13.3118      0.852945 12.2867      1.15963  14.5201      1.25897  3.47642  0.166785  3.77928  0.166562  
1 1 1 40 24 25 o 3.24082  0.130178  10.6199      0.843765 10.1313      1.20076  11.0964      1.18591  3.14538  0.190877  3.29611  0.179895  
1 1 1 40 24 26 o 1.79766  0.216487  3.34486      0.778341 3.84712      1.11214  2.86268      1.08969  1.9017   0.292407  1.59362  0.351339  
1 1 1 40 24 27 o 0.958429 0.335022  0.931176     0.793032 1.78632      1.08846  -0.0363497   1.15778  1.25375  0.391644  0.831747 0.364525  
1 1 1 40 24 28 o 1.21615  0.329062  1.67658      0.819798 0.532141     1.12349  2.97987      1.19893  0.922716 0.3792    1.59938  0.379936  
1 1 1 40 24 29 o 2.58829  0.16453   6.89713      0.851702 7.57235      1.21358  6.24177      1.1956   2.67769  0.22661   2.41894  0.247132  
1 1 1 40 24 30 o 1.33399  0.320745  2.07476      0.846484 2.79356      1.20396  1.3721       1.19037  1.50325  0.395209  1.10104  0.407659  
1 1 1 40 24 31 o 1.63307  0.251394  2.91263      0.82109  0.672006     1.11983  5.51788      1.20751  0.913789 0.377499  2.23341  0.270329  
1 1 1 40 24 32 o 1.06023  0.353052  1.40483      0.876992 1.44338      1.2116   1.36241      1.27104  1.06981  0.407626  1.05355  0.413685  
1 1 1 40 24 33 o 0.561102 0.2684    -0.811704    0.847618 0.686459     1.20597  -2.27433     1.19158  0.893287 0.381379  0.554598 0.275735  
1 1 1 40 24 34 o 0.789999 0.338332  0.534376     0.954297 -0.601418    1.28958  1.90923      1.41882  0.701938 0.334639  1.09076  0.434279  
1 1 1 40 24 35 o 0.750406 0.329078  0.428449     0.944745 0.898789     1.24984  -0.198524    1.44302  0.871465 0.380359  0.754948 0.357214  
1 1 1 40 24 36 o 0.658917 0.306696  0.0523824    0.981069 -1.11775     1.37211  1.27633      1.4033   0.623912 0.307271  0.864919 0.388588  
1 1 1 40 24 37 o 0.632967 0.298559  0.0220723    0.997786 -0.54439     1.42826  0.562076     1.39451  0.643916 0.317178  0.732412 0.348723  
1 1 1 40 25 0  o 6.57574  0.107074  43.3117      1.40734  43.3117      1.40734  43.3117      1.40734  6.57844  0.075659  ?        ?         
1 1 1 40 25 1  o 12.3722  0.0953189 153.279      2.3586   150.791      3.36705  155.675      3.30495  12.2622  0.137294  12.4604  0.132618  
1 1 1 40 25 2  o 6.40842  0.0703048 41.0985      0.901086 40.6133      1.23422  41.6524      1.31862  6.36829  0.0969035 6.44872  0.102239  
1 1 1 40 25 3  o 6.84818  0.0784757 46.942       1.07483  46.6333      1.50692  47.2616      1.53351  6.8224   0.110439  6.86807  0.111641  
1 1 1 40 25 4  o 7.39224  0.0806651 54.7011      1.19259  55.9047      1.74065  53.6363      1.63725  7.46888  0.116527  7.3164   0.111889  
1 1 1 40 25 5  o 1.02506  0.266898  1.10245      0.552474 0.167324     0.800848 1.9516       0.763147 0.769382 0.318624  1.3622   0.288894  
1 1 1 40 25 6  o 2.05447  0.141798  4.2352       0.582637 3.24108      0.811799 5.29127      0.836713 1.79248  0.226446  2.29378  0.182387  
1 1 1 40 25 7  o 7.35311  0.079107  54.1281      1.16336  53.6371      1.67927  54.5812      1.6132   7.31516  0.11478   7.38007  0.109295  
1 1 1 40 25 8  o 6.07283  0.0778265 36.9206      0.945253 37.1975      1.34838  36.6531      1.32549  6.09205  0.110667  6.04743  0.109591  
1 1 1 40 25 9  o 3.96944  0.0874127 15.78        0.693959 15.3413      0.974878 16.2306      0.988067 3.91087  0.124637  4.02281  0.122808  
1 1 1 40 25 10 o 3.14296  0.0977574 9.89742      0.614496 10.2735      0.842288 9.46943      0.898488 3.19963  0.131623  3.0706   0.146305  
1 1 1 40 25 11 o 6.7896   0.0813027 46.1632      1.10403  47.8193      1.54499  44.4351      1.57819  6.90608  0.111857  6.65615  0.118552  
1 1 1 40 25 12 o 2.47695  0.115402  6.15381      0.571688 4.94398      0.78601  7.51267      0.833015 2.21563  0.177378  2.73376  0.152357  
1 1 1 40 25 13 o 4.32436  0.0845888 18.7331      0.731584 19.1112      0.990176 18.2786      1.08563  4.36472  0.113429  4.26685  0.127217  
1 1 1 40 25 14 o 3.85342  0.0931772 14.8841      0.718102 16.6775      0.980787 12.8118      1.05429  4.07583  0.120317  3.56883  0.147708  
1 1 1 40 25 15 o 8.98071  0.0915775 80.8503      1.64486  80.9117      2.30191  80.7861      2.35125  8.97375  0.128258  8.96582  0.131123  
1 1 1 40 25 16 o 1.82602  0.174509  3.36609      0.637314 2.60097      0.847354 4.36265      0.967059 1.59515  0.265603  2.07102  0.233475  
1 1 1 40 25 17 o 2.70024  0.107099  7.31995      0.578385 7.28153      0.840051 7.35459      0.797524 2.6871   0.156312  2.70177  0.147593  
1 1 1 40 25 18 o 2.00609  0.144544  4.0546       0.579935 4.08473      0.834395 4.02643      0.806615 2.00542  0.208035  1.99187  0.202477  
1 1 1 40 25 19 o 4.1336   0.0899124 17.1389      0.743323 17.0377      1.06958  17.2334      1.03377  4.11449  0.129977  4.13907  0.124879  
1 1 1 40 25 20 o 2.89089  0.122523  8.4076       0.708401 8.45656      1.00336  8.35894      1.00031  2.89044  0.173565  2.87362  0.17405   
1 1 1 40 25 21 o 1.83506  0.175759  3.41824      0.645056 3.62854      0.923174 3.21761      0.9017   1.87755  0.245846  1.76607  0.255285  
1 1 1 40 25 22 o 3.33535  0.116092  11.2028      0.774412 11.4412      1.14891  11.0042      1.04835  3.35689  0.171127  3.29553  0.159056  
1 1 1 40 25 23 o 0.915627 0.319599  0.81624      0.721476 0.279964     0.971422 1.47595      1.07744  0.841013 0.349764  1.17713  0.391324  
1 1 1 40 25 24 o 1.77034  0.211509  3.22182      0.748883 2.8674       1.04222  3.60012      1.07679  1.61162  0.334527  1.84844  0.291269  
1 1 1 40 25 25 o 1.10513  0.317996  1.34537      0.740782 2.18719      1.05292  0.52027      1.04241  1.38713  0.37185   0.909059 0.368129  
1 1 1 40 25 26 o 2.25395  0.178205  5.2029       0.803329 6.33584      1.15672  4.14737      1.11651  2.46603  0.234531  1.97742  0.282313  
1 1 1 40 25 27 o 2.05682  0.199211  4.37542      0.819484 4.99043      1.13193  3.69802      1.18795  2.1714   0.260645  1.81284  0.340193  
1 1 1 40 25 28 o 1.80763  0.221639  3.42403      0.801279 3.10881      1.12429  3.74942      1.14229  1.6419   0.352526  1.85273  0.308271  
1 1 1 40 25 29 o 2.10559  0.204206  4.65173      0.859948 3.63321      1.24608  5.57796      1.18828  1.74865  0.3679    2.27196  0.26151   
1 1 1 40 25 30 o 0.73548  0.312954  0.200179     0.807255 0.397692     1.16544  0.0180233    1.11922  0.878115 0.374909  0.799249 0.353726  
1 1 1 40 25 31 o 0.795595 0.322036  0.504073     0.797209 0.141951     1.08068  0.936401     1.1808   0.795564 0.350399  0.969976 0.392213  
1 1 1 40 25 32 o 1.34558  0.316774  2.21515      0.839327 0.551062     1.13088  4.25595      1.25237  0.865498 0.369409  1.84663  0.351747  
1 1 1 40 25 33 o 1.7199   0.252313  3.39036      0.867909 4.03622      1.2667   2.81885      1.19156  1.73122  0.376358  1.4009   0.403373  
1 1 1 40 25 34 o 0.668582 0.308237  -0.146965    0.960957 -0.205062    1.34388  -0.0861785   1.37464  0.749787 0.351782  0.768819 0.359824  
1 1 1 40 25 35 o 0.704154 0.319057  0.27546      0.966178 0.000523129  1.23452  0.710061     1.55213  0.715006 0.335771  0.831044 0.386409  
1 1 1 40 25 36 o 0.956723 0.374783  1.60165      1.04181  1.16796      1.47075  2.03842      1.47594  0.85621  0.389699  0.981286 0.420524  
1 1 1 40 26 0  o 1.35088  0.319995  2.11534      0.750004 2.11534      0.750004 2.11534      0.750004 1.41188  0.199055  ?        ?         
1 1 1 40 26 1  o 9.41731  0.0799068 88.7791      1.50501  89.1346      2.1667   88.4478      2.09209  9.43076  0.114874  9.39498  0.111341  
1 1 1 40 26 2  o 1.50367  0.154931  2.27008      0.46593  2.25201      0.629819 2.29193      0.692478 1.4951   0.210627  1.50724  0.229717  
1 1 1 40 26 3  o 5.11502  0.0756025 26.1888      0.773416 26.2003      1.09562  26.1774      1.09194  5.1136   0.107128  5.1114   0.106814  
1 1 1 40 26 4  o 3.21224  0.0978492 10.3357      0.628631 10.2297      0.962016 10.4147      0.830459 3.19204  0.15069   3.22249  0.128853  
1 1 1 40 26 5  o 6.11944  0.0743578 37.4846      0.910057 39.2555      1.34868  36.0043      1.2331   6.25889  0.107741  5.99465  0.10285   
1 1 1 40 26 6  o 3.14715  0.0955065 9.92131      0.601147 10.8621      0.886449 9.12021      0.817973 3.29024  0.134709  3.01482  0.135659  
1 1 1 40 26 7  o 3.43338  0.0935426 11.808       0.642334 11.9536      0.945337 11.683       0.875475 3.45117  0.136959  3.41264  0.12827   
1 1 1 40 26 8  o 3.80941  0.0852481 14.5327      0.64949  13.8507      0.925629 15.1941      0.911567 3.71591  0.124549  3.89264  0.117088  
1 1 1 40 26 9  o 2.05973  0.134771  4.25844      0.555186 3.59318      0.767798 4.98744      0.803739 1.88756  0.203384  2.22581  0.18055   
1 1 1 40 26 10 o 5.2742   0.0765269 27.8524      0.807237 28.4621      1.12212  27.1985      1.16214  5.32866  0.105292  5.20827  0.111567  
1 1 1 40 26 11 f 0.6616   0.261092  0.253643     0.508673 0.340966     0.692725 0.151461     0.749353 0.768685 0.304265  0.740983 0.307619  
1 1 1 40 26 12 o 0.806823 0.274011  0.616245     0.528265 0.862854     0.724089 0.335623     0.77241  0.947921 0.320802  0.797792 0.319432  
1 1 1 40 26 13 o 2.50223  0.119512  6.2857       0.598096 7.23745      0.839442 5.30439      0.852378 2.68134  0.156534  2.29239  0.185915  
1 1 1 40 26 14 o 3.20637  0.104865  10.3137      0.672472 10.5955      0.9276   10.0015      0.976308 3.24552  0.142905  3.1516   0.154891  
1 1 1 40 26 15 o 1.09535  0.272619  1.27522      0.595579 1.65323      0.818864 0.850667     0.867818 1.2426   0.325584  0.973972 0.349455  
1 1 1 40 26 16 o 1.0508   0.288158  1.17165      0.62349  1.90804      0.836725 0.252269     0.934921 1.33274  0.317911  0.834281 0.344806  
1 1 1 40 26 17 o 4.56828  0.0828129 20.9208      0.756626 20.9055      1.03869  20.938       1.1044   4.56155  0.113852  4.56371  0.120997  
1 1 1 40 26 18 o 2.13805  0.135908  4.60238      0.581157 5.55585      0.833637 3.70086      0.810606 2.34335  0.177873  1.90784  0.212441  
1 1 1 40 26 19 o 0.809452 0.293436  0.571049     0.613279 0.256362     0.912018 0.830795     0.828588 0.823942 0.340546  0.95354  0.341531  
1 1 1 40 26 20 o 1.72538  0.178988  3.01985      0.617645 2.20684      0.857074 3.89824      0.890871 1.42945  0.308568  1.95161  0.22824   
1 1 1 40 26 21 o 0.517208 0.242202  -0.587754    0.62609  0.0837087    0.899185 -1.21963     0.872277 0.775537 0.330155  0.556688 0.267724  
1 1 1 40 26 22 o 1.31558  0.286175  1.87568      0.731965 2.73421      1.05155  1.06866      1.01951  1.57405  0.343527  1.05284  0.378666  
1 1 1 40 26 23 o 2.09861  0.176279  4.48703      0.739882 4.06452      0.981551 5.04299      1.12595  1.97937  0.247945  2.20229  0.255632  
1 1 1 40 26 24 o 1.14669  0.307608  1.4466       0.720226 2.35059      1.03033  0.582817     1.00717  1.44547  0.357848  0.916752 0.365614  
1 1 1 40 26 25 o 2.82427  0.141944  8.09702      0.801779 9.11042      1.1567   7.1598       1.11237  2.97658  0.1943    2.63216  0.211305  
1 1 1 40 26 26 f 2.12764  0.192709  4.6581       0.820029 4.08314      1.14976  5.25337      1.16989  1.95573  0.293946  2.23294  0.261963  
1 1 1 40 26 27 o 2.12904  0.197249  4.68855      0.839904 4.9253       1.20527  4.46504      1.17108  2.14567  0.280861  2.04     0.287029  
1 1 1 40 26 28 o 1.73398  0.230168  3.17953      0.798217 2.51927      1.1085   3.89058      1.15036  1.45156  0.37811   1.87919  0.306078  
1 1 1 40 26 29 o 1.36939  0.300325  2.14842      0.800072 1.37905      1.15154  2.86639      1.11242  1.10043  0.401779  1.54477  0.36534   
1 1 1 40 26 30 o 0.807088 0.322554  0.533517     0.785495 0.801055     1.10064  0.255811     1.12136  0.939362 0.379148  0.834758 0.36228   
1 1 1 40 26 31 o 0.535941 0.257891  -0.947136    0.812195 -2.70998     1.11192  1.06933      1.18921  0.50638  0.253592  0.987448 0.395945  
1 1 1 40 26 32 o 0.593433 0.277136  -0.469159    0.809532 0.101182     1.1605   -1.00974     1.12982  0.789998 0.354189  0.64085  0.307345  
1 1 1 40 26 33 o 0.749746 0.327647  0.333744     0.929862 1.17434      1.30937  -0.521541    1.32075  0.957517 0.402575  0.721237 0.34149   
1 1 1 40 26 34 f 0.908336 0.366801  1.10665      1.03083  1.94229      1.40373  0.128577     1.51866  1.0735   0.43029   0.808131 0.378219  
1 1 1 40 26 35 o 0.992434 0.377604  1.7177       1.03849  0.864995     1.44946  2.61708      1.4886   0.824021 0.379381  1.09     0.440528  
1 1 1 40 26 36 f 0.662494 0.312447  -0.0110483   1.09213  0.551888     1.60958  -0.491328    1.48672  0.774458 0.370314  0.677221 0.330927  
1 1 1 40 27 0  o 8.54699  0.112623  73.173       1.92443  73.173       1.92443  73.173       1.92443  8.55055  0.0795879 ?        ?         
1 1 1 40 27 1  o 2.50276  0.103862  6.27607      0.519883 6.05057      0.72759  6.51128      0.743105 2.45488  0.148193  2.54678  0.145891  
1 1 1 40 27 2  o 6.63734  0.0704485 44.0943      0.935181 45.4897      1.38773  42.9335      1.26576  6.73804  0.102977  6.54674  0.0966712 
1 1 1 40 27 3  o 2.50687  0.113511  6.29947      0.569115 5.68051      0.823725 6.86479      0.787217 2.37673  0.17329   2.61455  0.150545  
1 1 1 40 27 4  o 6.81513  0.0756206 46.4965      1.03073  45.9445      1.49016  47.0028      1.42722  6.77044  0.110049  6.84879  0.104195  
1 1 1 40 27 5  o 1.74961  0.161791  3.07684      0.566142 1.71548      0.838979 4.215        0.767127 1.27247  0.327743  2.04603  0.187467  
1 1 1 40 27 6  o 7.3862   0.0780627 54.6227      1.15317  54.6178      1.60036  54.6279      1.66312  7.38172  0.1084    7.38172  0.112652  
1 1 1 40 27 7  o 6.54013  0.0789663 42.8281      1.0329   42.6771      1.44019  42.988       1.4822   6.52465  0.110365  6.54796  0.11318   
1 1 1 40 27 8  o 4.95053  0.0780138 24.5393      0.772419 23.9393      1.09714  25.129       1.08765  4.88632  0.112266  5.00668  0.10862   
1 1 1 40 27 9  o 3.01413  0.0886117 9.10083      0.534173 8.19961      0.667666 10.7037      0.890408 2.85918  0.116758  3.26493  0.136359  
1 1 1 40 27 10 o 3.41716  0.0910382 11.6998      0.622184 10.9201      0.847145 12.613       0.916776 3.29815  0.128428  3.54448  0.129324  
1 1 1 40 27 11 o 2.01255  0.122463  4.06582      0.492923 4.93576      0.668449 3.02894      0.729779 2.21527  0.150873  1.73065  0.210839  
1 1 1 40 27 12 o 1.19807  0.227976  1.50239      0.526581 1.15473      0.721864 1.89781      0.769845 1.05402  0.316907  1.33628  0.295909  
1 1 1 40 27 13 o 2.63266  0.113186  6.9568       0.595959 6.84747      0.82345  7.07706      0.863609 2.60736  0.157909  2.65009  0.162939  
1 1 1 40 27 14 o 2.24708  0.131089  5.07629      0.589135 5.01602      0.793586 5.15028      0.87932  2.22867  0.17804   2.25611  0.194875  
1 1 1 40 27 15 o 2.56459  0.124425  6.61122      0.638198 7.15404      0.875893 5.9969       0.931794 2.66253  0.164485  2.4338   0.191428  
1 1 1 40 27 16 o 1.6198   0.199982  2.6616       0.647863 2.44201      0.867405 2.93866      0.97432  1.5147   0.296915  1.66255  0.304351  
1 1 1 40 27 17 o 4.79789  0.0916745 23.0898      0.879689 22.9095      1.21844  23.2861      1.27138  4.7722   0.12766   4.81024  0.132154  
1 1 1 40 27 18 o 3.28631  0.0981721 10.841       0.645248 10.6799      0.968058 10.9699      0.865557 3.25376  0.14876   3.30085  0.131111  
1 1 1 40 27 19 o 2.55362  0.133006  6.56979      0.679296 7.27529      0.988634 5.93882      0.93495  2.67789  0.184592  2.41777  0.193349  
1 1 1 40 27 20 o 4.89839  0.0882912 24.088       0.86497  24.7969      1.17489  23.2491      1.27812  4.96232  0.118381  4.80055  0.133122  
1 1 1 40 27 21 o 3.85562  0.103759  14.953       0.800109 14.4895      1.10826  15.4576      1.15632  3.78439  0.146426  3.90829  0.147931  
1 1 1 40 27 22 o 1.61467  0.218117  2.68026      0.704375 0.826122     0.992642 4.56073      0.999667 0.979559 0.370206  2.1008   0.237925  
1 1 1 40 27 23 o 6.25247  0.0967015 39.3271      1.20925  36.7067      1.65444  42.3327      1.77186  6.02209  0.137364  6.46735  0.136985  
1 1 1 40 27 24 o 0.90411  0.324638  0.783503     0.749065 0.612667     1.04185  0.966312     1.07774  0.929548 0.371485  1.02485  0.386204  
1 1 1 40 27 25 o 3.50063  0.126685  12.4044      0.886956 12.538       1.24785  12.2681      1.26094  3.49867  0.178332  3.45898  0.18227   
1 1 1 40 27 26 o 3.03823  0.141917  9.39322      0.862355 9.33157      1.22277  9.45422      1.21636  3.00106  0.203723  3.02199  0.201252  
1 1 1 40 27 27 o 3.31399  0.133865  11.1759      0.887251 10.1233      1.23195  12.3102      1.27889  3.12286  0.197247  3.45113  0.185286  
1 1 1 40 27 28 o 0.610468 0.280475  -0.427024    0.787672 -0.241191    1.11728  -0.610646    1.11062  0.764025 0.344802  0.709491 0.328723  
1 1 1 40 27 29 f 0.882005 0.325879  0.790249     0.759883 0.4672       1.06048  1.13115      1.08938  0.86659  0.363227  1.02488  0.387682  
1 1 1 40 27 30 o 0.918133 0.333007  0.929428     0.789925 0.195558     1.07141  1.80343      1.16924  0.803528 0.351422  1.18434  0.407485  
1 1 1 40 27 31 o 0.905292 0.339901  0.921219     0.833304 0.491877     1.13672  1.41999      1.22519  0.85631  0.368077  1.06014  0.408242  
1 1 1 40 27 32 o 0.964833 0.344     1.18015      0.83976  1.94015      1.17212  0.37864      1.20371  1.15971  0.407117  0.828589 0.366757  
1 1 1 40 27 33 o 1.84882  0.275185  4.1231       1.01753  2.68949      1.39168  5.76979      1.49153  1.25953  0.443467  2.03221  0.381039  
1 1 1 40 27 34 o 0.869464 0.365584  1.05737      1.07994  0.925128     1.54397  1.18405      1.51109  0.871519 0.397367  0.903135 0.404557  
1 1 1 40 27 35 o 0.919641 0.372807  1.48454      1.07065  0.0483914    1.50862  2.94189      1.51971  0.735285 0.353243  1.12527  0.449004  
1 1 1 40 27 36 o 1.04119  0.393491  2.42259      1.12142  0.380478     1.67697  4.07451      1.50827  0.709418 0.347841  1.20778  0.456373  
1 1 1 40 28 0  o 0.760659 0.381715  0.867714     0.7058   0.867714     0.7058   0.867714     0.7058   0.783496 0.322998  ?        ?         
1 1 1 40 28 1  o 2.55196  0.0976498 6.52484      0.498397 7.24217      0.703158 5.80059      0.706535 2.68658  0.130865  2.40331  0.146992  
1 1 1 40 28 2  o 2.48129  0.0962077 6.16816      0.477438 6.65169      0.672614 5.67712      0.677814 2.57472  0.130619  2.37787  0.142525  
1 1 1 40 28 3  o 5.90256  0.0772084 34.882       0.911454 34.7396      1.33006  35.008       1.25151  5.8865   0.112975  5.91012  0.105879  
1 1 1 40 28 4  o 0.800101 0.279546  0.580181     0.552086 0.273061     0.824905 0.829363     0.743033 0.803442 0.326672  0.942624 0.324786  
1 1 1 40 28 5  o 2.0325   0.138111  4.14743      0.561423 4.27632      0.812246 4.02952      0.776878 2.05968  0.197178  1.9996   0.194259  
1 1 1 40 28 6  o 2.7426   0.102282  7.53853      0.561039 8.13672      0.814346 6.99808      0.774045 2.84637  0.14305   2.63943  0.146631  
1 1 1 40 28 7  o 2.57834  0.107053  6.66463      0.552039 6.9536       0.787968 6.38607      0.773632 2.6305   0.149775  2.52056  0.153464  
1 1 1 40 28 8  o 7.63196  0.0914143 58.3594      1.39534  56.1376      1.97921  60.5549      1.96746  7.4774   0.132346  7.76734  0.12665   
1 1 1 40 28 9  o 6.69555  0.0879153 44.9152      1.17728  46.6342      1.638    43.0783      1.69323  6.8169   0.120142  6.55004  0.129253  
1 1 1 40 28 10 o 2.85962  0.117689  8.20719      0.673091 8.16055      0.946051 8.25501      0.957848 2.84642  0.166183  2.86271  0.167297  
1 1 1 40 28 11 o 1.89881  0.16408   3.63267      0.62311  2.88736      0.854031 4.48102      0.911163 1.68425  0.253535  2.10317  0.216616  
1 1 1 40 28 12 o 1.6148   0.195928  2.63707      0.63277  2.65927      0.88036  2.61334      0.910124 1.58837  0.287701  1.57166  0.300284  
1 1 1 40 28 13 o 2.02114  0.133781  4.10778      0.540781 4.15186      0.716704 4.04951      0.824039 2.02771  0.176728  1.99907  0.206106  
1 1 1 40 28 14 o 3.61612  0.0922269 13.1136      0.667008 12.3689      0.908526 13.9843      0.98238  3.50699  0.129531  3.72861  0.131735  
1 1 1 40 28 15 o 3.30504  0.107197  10.9686      0.708583 12.7459      0.961184 8.85296      1.0487   3.55838  0.135059  2.95858  0.17723   
1 1 1 40 28 16 o 0.677322 0.278708  0.165307     0.607687 0.199746     0.831851 0.125896     0.88988  0.78187  0.324321  0.787488 0.331522  
1 1 1 40 28 17 o 0.552425 0.252398  -0.408834    0.628044 0.150979     0.846879 -1.09296     0.936199 0.774787 0.324663  0.603612 0.286605  
1 1 1 40 28 18 o 0.942271 0.280258  0.93012      0.56662  0.836506     0.880889 0.99619      0.740034 0.967303 0.351578  0.990842 0.324315  
1 1 1 40 28 19 o 4.2339   0.0936353 18.004       0.792884 18.162       1.07874  17.8185      1.16934  4.2448   0.127066  4.20116  0.139169  
1 1 1 40 28 20 o 3.54411  0.101359  12.6284      0.718451 12.9371      1.01994  12.3244      1.01219  3.57775  0.142539  3.49136  0.144957  
1 1 1 40 28 21 o 3.8276   0.107236  14.7481      0.820917 14.8434      1.1581   14.6519      1.16382  3.82735  0.151293  3.802    0.153054  
1 1 1 40 28 22 o 1.74725  0.210465  3.13656      0.735469 3.17491      1.07295  3.10258      1.01011  1.70223  0.32682   1.68859  0.310738  
1 1 1 40 28 23 o 3.09838  0.130257  9.71214      0.807171 11.2553      1.22036  8.51199      1.07621  3.31646  0.183985  2.88316  0.186637  
1 1 1 40 28 24 o 1.63044  0.242074  2.77576      0.789378 3.41326      1.07504  2.02991      1.16282  1.76029  0.316913  1.32936  0.402726  
1 1 1 40 28 25 o 0.719677 0.305153  0.123841     0.76287  1.27344      1.04355  -1.1957      1.11802  1.09646  0.384214  0.655326 0.312127  
1 1 1 40 28 26 o 1.28086  0.308072  1.84206      0.780714 1.53801      1.109    2.14079      1.09926  1.17123  0.397015  1.35265  0.386772  
1 1 1 40 28 27 o 1.2631   0.323611  1.8417       0.821175 1.99952      1.17729  1.69217      1.14597  1.285    0.408242  1.19745  0.403579  
1 1 1 40 28 28 o 0.617417 0.281804  -0.35853     0.780668 -0.209058    1.13192  -0.494129    1.07811  0.770585 0.347446  0.71136  0.327377  
1 1 1 40 28 29 o 0.910234 0.326781  0.895752     0.758959 0.342585     1.04202  1.52079      1.10765  0.830545 0.354547  1.11993  0.395499  
1 1 1 40 28 30 o 0.511394 0.248298  -1.12301     0.800368 -1.35989     1.09354  -0.849724    1.17458  0.600619 0.291184  0.679537 0.321885  
1 1 1 40 28 31 o 1.35442  0.307524  2.22963      0.814205 1.92351      1.09147  2.61371      1.22257  1.1913   0.393865  1.36987  0.412532  
1 1 1 40 28 32 o 0.759365 0.326598  0.409685     0.895878 1.3724       1.26397  -0.562186    1.26997  0.998319 0.404918  0.707292 0.334875  
1 1 1 40 28 33 o 1.10123  0.379472  1.82104      1.01434  0.193937     1.43359  3.45223      1.43539  0.806865 0.373699  1.42674  0.450521  
1 1 1 40 28 34 o 0.769076 0.336913  0.667577     0.988142 1.90628      1.42825  -0.469718    1.36854  0.983214 0.41725   0.683321 0.330183  
1 1 1 40 28 35 o 0.809498 0.357158  0.938666     1.12919  1.18689      1.71268  0.747791     1.50185  0.850264 0.3986    0.799284 0.374442  
1 1 1 40 29 0  o 0.338831 0.242734  -0.880018    0.686354 -0.880018    0.686354 -0.880018    0.686354 0.2565   0.186679  ?        ?         
1 1 1 40 29 1  o 6.25878  0.0693584 39.2119      0.868198 39.4415      1.2245   38.9798      1.23116  6.27402  0.097585  6.23705  0.0986974 
1 1 1 40 29 2  o 2.09433  0.109395  4.39731      0.45822  3.95722      0.627246 4.90095      0.671008 1.98409  0.158069  2.20847  0.151917  
1 1 1 40 29 3  o 3.50949  0.0850593 12.3356      0.597029 11.7481      0.84999  12.9077      0.838774 3.42195  0.124197  3.58752  0.116902  
1 1 1 40 29 4  o 2.47897  0.11266   6.16235      0.558562 6.51394      0.834525 5.87703      0.751788 2.54482  0.163965  2.41792  0.155462  
1 1 1 40 29 5  o 6.78647  0.0764772 46.1168      1.03802  46.8331      1.46331  45.3912      1.4727   6.83472  0.10705   6.72829  0.109441  
1 1 1 40 29 6  o 6.70518  0.0764791 45.0207      1.02561  45.4289      1.40774  44.5588      1.49727  6.73156  0.104562  6.66548  0.112315  
1 1 1 40 29 7  o 1.65313  0.189846  2.75678      0.627681 3.29864      0.873932 2.17945      0.902088 1.80341  0.2423    1.43094  0.322867  
1 1 1 40 29 8  o 2.49702  0.133523  6.26365      0.666817 6.10937      0.894645 6.4565       1.0002   2.46134  0.181739  2.52835  0.197798  
1 1 1 40 29 9  o 4.50803  0.0890085 20.3664      0.802505 20.3251      1.14185  20.4067      1.1281   4.49851  0.126915  4.50781  0.125127  
1 1 1 40 29 10 o 4.91438  0.0865876 24.2029      0.851049 24.1248      1.18208  24.287       1.22627  4.9016   0.120581  4.91736  0.124687  
1 1 1 40 29 11 o 5.27282  0.0863557 27.8646      0.910675 27.4516      1.26742  28.3055      1.30939  5.22799  0.121215  5.30828  0.123334  
1 1 1 40 29 12 o 2.18453  0.149723  4.8059       0.654148 5.8305       0.934048 3.81962      0.916414 2.40024  0.194574  1.93723  0.236527  
1 1 1 40 29 13 o 1.80205  0.1767    3.28164      0.636844 3.60877      0.884898 2.93017      0.917238 1.88199  0.235097  1.69065  0.271268  
1 1 1 40 29 14 o 3.00507  0.103191  9.06515      0.620191 10.2219      0.846028 7.72148      0.91183  3.187    0.132731  2.76515  0.164879  
1 1 1 40 29 15 o 3.77184  0.095718  14.2733      0.722066 14.3846      0.989705 14.1466      1.05581  3.78103  0.130878  3.7478   0.140857  
1 1 1 40 29 16 o 3.28535  0.110678  10.8451      0.72723  10.8725      0.977144 10.8112      1.08881  3.28317  0.148811  3.27039  0.166465  
1 1 1 40 29 17 f 1.95772  0.178211  3.88166      0.697775 5.01884      0.994465 2.77887      0.979316 2.21771  0.22421   1.60985  0.31541   
1 1 1 40 29 18 o 2.10897  0.170702  4.51052      0.72001  4.91204      1.00157  4.0811       1.03579  2.18889  0.228784  1.98794  0.260518  
1 1 1 40 29 19 o 2.50113  0.12213   6.30321      0.610926 6.99834      0.881274 5.66009      0.847665 2.62663  0.167758  2.35973  0.17961   
1 1 1 40 29 20 o 3.02657  0.115587  9.23005      0.699665 9.92726      0.986782 8.52517      0.992192 3.12851  0.157708  2.89551  0.171333  
1 1 1 40 29 21 o 2.54603  0.136622  6.55547      0.695688 6.29498      0.968351 6.83334      1.00012  2.4804   0.195201  2.5848   0.193462  
1 1 1 40 29 22 o 1.13686  0.311169  1.4209       0.727887 1.25567      1.06744  1.5645       0.995135 1.10533  0.388466  1.19141  0.37494   
1 1 1 40 29 23 o 2.0903   0.178799  4.47359      0.747485 6.75678      1.0771   2.3524       1.03818  2.55755  0.210572  1.43874  0.361061  
1 1 1 40 29 24 o 1.59221  0.247008  2.6538       0.786578 2.44652      1.05496  2.91329      1.18035  1.46511  0.361725  1.59455  0.375829  
1 1 1 40 29 25 o 3.44134  0.123524  12.0012      0.850173 12.7685      1.17054  11.1445      1.23685  3.53112  0.165747  3.28783  0.188095  
1 1 1 40 29 26 o 1.99484  0.2039    4.14669      0.813496 3.90362      1.14845  4.39147      1.15247  1.89011  0.303804  2.01446  0.286051  
1 1 1 40 29 27 o 1.42572  0.292092  2.30082      0.804191 1.0264       1.17789  3.41353      1.10063  1.02055  0.398771  1.71849  0.332085  
1 1 1 40 29 28 o 1.18933  0.317872  1.6587       0.770856 1.54145      1.07716  1.78178      1.10363  1.13422  0.391026  1.20367  0.396053  
1 1 1 40 29 29 o 0.899186 0.331655  0.870767     0.78638  0.894523     1.07179  0.843067     1.15735  0.946736 0.37729   0.948271 0.386475  
1 1 1 40 29 30 o 0.847876 0.332824  0.725065     0.822477 0.453639     1.09357  1.07856      1.24799  0.840563 0.361156  0.987698 0.401732  
1 1 1 40 29 31 f 0.639588 0.293119  -0.240426    0.854323 -1.41664     1.18029  1.05399      1.23818  0.61125  0.297951  0.956701 0.396189  
1 1 1 40 29 32 o 0.824324 0.346647  0.705339     0.971157 -0.340161    1.37636  1.74196      1.37051  0.744216 0.350921  1.05247  0.423792  
1 1 1 40 29 33 o 1.15086  0.378751  2.07145      1.00931  3.07016      1.3843   0.937955     1.47476  1.30417  0.443564  0.881683 0.397115  
1 1 1 40 29 34 o 0.718737 0.327438  0.406661     1.04369  0.214582     1.62092  0.542692     1.36408  0.758763 0.364919  0.768824 0.359316  
1 1 1 40 29 35 o 1.13731  0.395884  2.61025      1.10635  3.05726      1.62183  2.22119      1.51306  1.02896  0.440883  0.928589 0.411084  
1 1 1 40 30 0  o 0.696897 0.367684  0.720159     0.675596 0.720159     0.675596 0.720159     0.675596 0.70054  0.317897  ?        ?         
1 1 1 40 30 1  o 4.64696  0.0715417 21.6196      0.664902 21.1921      0.929428 22.0677      0.951592 4.59812  0.101066  4.69211  0.101403  
1 1 1 40 30 2  o 4.19753  0.0700051 17.6393      0.587697 17.7876      0.81646  17.4798      0.84662  4.21296  0.0968985 4.17593  0.101369  
1 1 1 40 30 3  o 2.51255  0.108712  6.33046      0.546289 5.87309      0.795416 6.73881      0.751584 2.41576  0.16463   2.58952  0.14512   
1 1 1 40 30 4  o 6.66095  0.0761674 44.4302      1.01469  43.5408      1.44358  45.2987      1.42656  6.58904  0.109544  6.72133  0.106122  
1 1 1 40 30 5  o 4.61036  0.0774112 21.2871      0.713787 21.2878      1.00122  21.2864      1.01788  4.60712  0.10866   4.60675  0.110477  
1 1 1 40 30 6  o 6.4665   0.0816832 41.888       1.05641  40.8683      1.47585  42.9593      1.51282  6.38185  0.115628  6.54307  0.115605  
1 1 1 40 30 7  o 4.46232  0.0910323 19.9573      0.812431 20.342       1.1181   19.5269      1.1825   4.50085  0.12421   4.40823  0.134124  
1 1 1 40 30 8  o 7.33126  0.0886023 53.8664      1.29913  54.2246      1.85277  53.52        1.82212  7.3474   0.126083  7.29983  0.124806  
1 1 1 40 30 9  o 4.30819  0.0911568 18.6057      0.785442 18.9572      1.11095  18.2544      1.11061  4.34366  0.127882  4.262    0.130293  
1 1 1 40 30 10 o 3.90152  0.0951332 15.264       0.742328 14.7581      1.02394  15.8244      1.07774  3.83117  0.133633  3.96681  0.135845  
1 1 1 40 30 11 o 4.49757  0.0912786 20.2822      0.821064 20.8163      1.14767  19.7222      1.17513  4.55074  0.126097  4.42832  0.132684  
1 1 1 40 30 12 o 3.02936  0.113728  9.21787      0.689044 9.63322      0.965657 8.78703      0.983499 3.09068  0.156221  2.9501   0.166689  
1 1 1 40 30 13 f 3.50324  0.108015  12.3243      0.756806 12.5024      1.04909  12.131       1.09282  3.52174  0.148946  3.46738  0.157585  
1 1 1 40 30 14 o 2.55352  0.144089  6.56899      0.735865 7.0304       0.995625 6.01348      1.09244  2.6345   0.188959  2.43009  0.224774  
1 1 1 40 30 15 o 1.1185   0.253504  1.33136      0.55409  1.42718      0.740169 1.20922      0.835702 1.15325  0.312955  1.07989  0.344043  
1 1 1 40 30 16 o 4.87234  0.100176  23.8354      0.976187 24.7317      1.4175   23.0269      1.34632  4.95256  0.143108  4.77943  0.140845  
1 1 1 40 30 17 o 2.2711   0.16091   5.22072      0.730885 5.00181      1.02094  5.45086      1.0468   2.20896  0.23109   2.30701  0.226874  
1 1 1 40 30 18 o 2.7789   0.12633   7.78475      0.702116 7.23375      0.952428 8.44061      1.03911  2.6681   0.178484  2.88162  0.180299  
1 1 1 40 30 19 o 4.08683  0.0942308 16.7856      0.77021  17.414       1.14438  16.2652      1.04138  4.15078  0.137851  4.01397  0.129719  
1 1 1 40 30 20 o 1.83281  0.178909  3.4231       0.655811 3.76768      0.940534 3.09704      0.914912 1.90682  0.246624  1.72407  0.265335  
1 1 1 40 30 21 o 3.23589  0.117517  10.5638      0.760541 9.28596      1.05986  11.9202      1.09199  3.01734  0.175628  3.42453  0.159437  
1 1 1 40 30 22 o 1.53681  0.229836  2.45205      0.706427 1.40345      0.99885  3.50145      0.999227 1.13706  0.376783  1.82245  0.274143  
1 1 1 40 30 23 o 1.40003  0.277633  2.13565      0.749754 2.53323      1.09823  1.78861      1.02607  1.4884   0.370047  1.25591  0.37787   
1 1 1 40 30 24 o 0.870769 0.322669  0.697398     0.74608  0.857348     1.0847   0.553783     1.02782  0.990282 0.383546  0.905003 0.365932  
1 1 1 40 30 25 f 1.57604  0.245498  2.6217       0.773827 2.75988      1.05806  2.46278      1.13466  1.55089  0.349484  1.44659  0.385212  
1 1 1 40 30 26 o 1.22325  0.32828   1.73688      0.820072 0.761412     1.1966   2.60083      1.12612  0.969769 0.393731  1.46979  0.380286  
1 1 1 40 30 27 o 0.767497 0.313     0.385902     0.75961  -1.2012      1.08453  1.91424      1.06426  0.627846 0.301111  1.25151  0.38653   
1 1 1 40 30 28 o 1.32529  0.30233   2.04844      0.783925 2.94813      1.06847  0.999513     1.1537   1.56192  0.350666  0.991825 0.392638  
1 1 1 40 30 29 o 0.688684 0.306408  -0.0336512   0.85381  0.108348     1.16233  -0.200071    1.25831  0.802821 0.357338  0.782773 0.357483  
1 1 1 40 30 30 o 1.12757  0.348566  1.62845      0.865207 2.44852      1.21588  0.787254     1.23145  1.32321  0.414051  0.922198 0.389196  
1 1 1 40 30 31 o 1.24909  0.345154  2.0943       0.890367 2.2657       1.24418  1.91439      1.27472  1.21329  0.42006   1.12082  0.42048   
1 1 1 40 30 32 o 1.46091  0.341933  2.8971       0.982409 1.48441      1.3599   4.43909      1.42077  0.994456 0.413721  1.70749  0.418684  
1 1 1 40 30 33 o 0.578118 0.280188  -0.786984    1.01112  -0.289652    1.4688   -1.23496     1.39401  0.71817  0.345879  0.631853 0.311204  
1 1 1 40 30 34 f 2.22937  0.253639  6.23279      1.13091  5.83489      1.63985  6.59367      1.56172  1.75345  0.461349  2.01188  0.402342  
1 1 1 40 31 0  o 6.58292  0.102254  43.4238      1.34553  43.4238      1.34553  43.4238      1.34553  6.58631  0.0722478 ?        ?         
1 1 1 40 31 1  o 3.82065  0.0758119 14.6188      0.579302 14.9718      0.825007 14.2755      0.813625 3.86374  0.106763  3.77272  0.10783   
1 1 1 40 31 2  o 3.21604  0.0791438 10.3597      0.50906  10.0064      0.693646 10.772       0.749422 3.15841  0.10981   3.27656  0.114361  
1 1 1 40 31 3  o 4.76736  0.0749966 22.7614      0.715072 22.7253      1.0152   22.7969      1.00737  4.76004  0.106638  4.76765  0.105646  
1 1 1 40 31 4  o 3.44672  0.0887462 11.9052      0.611766 10.6284      0.892861 13.035       0.839902 3.25191  0.137282  3.60384  0.116529  
1 1 1 40 31 5  o 1.61143  0.15566   2.61415      0.501671 2.51457      0.719558 2.70834      0.699794 1.57447  0.228508  1.63544  0.213947  
1 1 1 40 31 6  o 0.955529 0.292474  0.93996      0.61119  3.62307      0.873119 -1.63803     0.855845 1.88927  0.231074  0.509795 0.249571  
1 1 1 40 31 7  o 6.34419  0.0857052 40.3352      1.08746  41.3083      1.5083   39.2817      1.56932  6.41429  0.117573  6.25323  0.125481  
1 1 1 40 31 8  o 7.0241   0.0882873 49.4543      1.24028  49.8699      1.74087  49.0258      1.76747  7.04566  0.123542  6.985    0.126519  
1 1 1 40 31 9  o 1.7765   0.183126  3.18919      0.650646 3.28142      0.92067  3.09717      0.919636 1.79285  0.256762  1.74075  0.264149  
1 1 1 40 31 10 o 1.84567  0.174187  3.44064      0.642986 3.66327      0.905223 3.21393      0.913471 1.89598  0.238721  1.77318  0.25758   
1 1 1 40 31 11 o 2.7409   0.124064  7.55335      0.680095 7.38101      0.961552 7.72588      0.962048 2.70163  0.177958  2.76471  0.173987  
1 1 1 40 31 12 o 4.77661  0.0923039 22.8859      0.881799 23.5981      1.23366  22.1418      1.26089  4.84359  0.12735   4.69018  0.134418  
1 1 1 40 31 13 o 4.45475  0.0993049 19.9158      0.884756 19.1341      1.21513  20.7978      1.29076  4.35878  0.139389  4.54371  0.142038  
1 1 1 40 31 14 o 4.39868  0.109955  19.4402      0.967312 20.7631      1.32623  17.9364      1.41394  4.53769  0.146136  4.21193  0.16785   
1 1 1 40 31 15 o 3.79333  0.110171  14.4596      0.835833 14.0967      1.15699  14.8557      1.2088   3.73643  0.154826  3.83502  0.1576    
1 1 1 40 31 16 o 0.693122 0.288688  0.141719     0.663313 1.11452      0.920841 -0.907436    0.956295 1.05656  0.361771  0.633888 0.297287  
1 1 1 40 31 17 o 3.19568  0.116051  10.2819      0.74172  10.3725      1.05676  10.1939      1.04132  3.19868  0.165186  3.17128  0.164179  
1 1 1 40 31 18 o 1.36363  0.245516  1.97504      0.645172 1.29233      0.868148 2.81722      0.964217 1.10151  0.35063   1.61271  0.310004  
1 1 1 40 31 19 o 1.16783  0.266774  1.47335      0.6097   1.47411      0.925139 1.47277      0.810651 1.16416  0.36055   1.15986  0.3323    
1 1 1 40 31 20 o 0.762039 0.294723  0.429184     0.640002 0.211339     0.92838  0.626471     0.883487 0.808288 0.339369  0.895052 0.346255  
1 1 1 40 31 21 o 1.7401   0.196593  3.10945      0.684186 3.28998      0.947696 2.91291      0.988781 1.77024  0.267674  1.62872  0.314781  
1 1 1 40 31 22 o 1.57683  0.22981   2.58534      0.724743 2.87176      1.0592   2.33319      0.993802 1.60013  0.341081  1.43652  0.348885  
1 1 1 40 31 23 o 0.725689 0.303763  0.183742     0.740069 0.953488     1.08129  -0.494614    1.01508  1.01756  0.38585   0.706173 0.322037  
1 1 1 40 31 24 f 1.18656  0.312217  1.58354      0.750999 2.29897      1.09646  0.95132      1.03073  1.40321  0.380953  1.00081  0.377535  
1 1 1 40 31 25 o 2.85508  0.154556  8.35576      0.882537 7.95938      1.19252  8.83572      1.31225  2.75457  0.216461  2.89579  0.226579  
1 1 1 40 31 26 o 1.32129  0.30091   2.0001       0.77764  2.79876      1.08765  1.16489      1.11226  1.53153  0.360636  1.04397  0.39255   
1 1 1 40 31 27 o 1.82511  0.218687  3.54342      0.798254 2.74199      1.10916  4.40454      1.14973  1.49681  0.371729  1.99046  0.28881   
1 1 1 40 31 28 o 0.728348 0.313239  0.187999     0.823999 -0.441724    1.12617  0.913577     1.20884  0.71984  0.332559  0.969065 0.394969  
1 1 1 40 31 29 o 2.12933  0.21282   4.91695      0.906327 3.68962      1.29342  6.10093      1.27037  1.67336  0.392782  2.3135   0.274556  
1 1 1 40 31 30 o 0.810566 0.333836  0.601288     0.872637 0.821987     1.25612  0.39542      1.21318  0.914031 0.3897    0.835215 0.369134  
1 1 1 40 31 31 o 0.975363 0.362621  1.3221       0.943823 2.23689      1.38786  0.535039     1.28733  1.15656  0.437555  0.838259 0.374503  
1 1 1 40 31 32 o 0.989537 0.369145  1.47669      0.979741 -0.556194    1.31378  4.0237       1.47056  0.692587 0.33198   1.52617  0.450939  
1 1 1 40 31 33 o 0.502671 0.250575  -1.65942     1.01658  -1.98066     1.4371   -1.33769     1.43821  0.584164 0.292082  0.622197 0.308277  
1 1 1 40 31 34 o 0.585238 0.286518  -0.790607    1.12833  -0.466843    1.56408  -1.14195     1.62933  0.678131 0.333598  0.645092 0.320962  
1 1 1 40 32 0  o 2.21621  0.156937  5.00172      0.687596 5.00172      0.687596 5.00172      0.687596 2.22652  0.109794  ?        ?         
1 1 1 40 32 1  o 2.99869  0.0860177 9.01092      0.515881 9.08531      0.72977  8.93662      0.729362 3.008    0.121305  2.98319  0.122245  
1 1 1 40 32 2  o 3.81483  0.0726435 14.5747      0.554246 15.7017      0.776871 13.4066      0.790962 3.95717  0.09816   3.65547  0.108189  
1 1 1 40 32 3  o 3.71075  0.0834764 13.7972      0.61952  13.1319      0.884563 14.4377      0.86794  3.6161   0.122309  3.79263  0.114425  
1 1 1 40 32 4  o 1.69777  0.155624  2.90278      0.528429 3.19252      0.78788  2.66588      0.712427 1.77414  0.222046  1.62146  0.219687  
1 1 1 40 32 5  o 0.911821 0.278085  0.855802     0.553203 1.42775      0.805716 0.345714     0.7609   1.16072  0.330885  0.794263 0.317449  
1 1 1 40 32 6  o 1.97662  0.162494  3.93846      0.642378 4.92917      0.912176 2.96373      0.904789 2.20584  0.206764  1.70333  0.265595  
1 1 1 40 32 7  o 5.16297  0.0893387 26.7231      0.922506 26.9221      1.2759   26.5051      1.33537  5.17623  0.123246  5.13459  0.130037  
1 1 1 40 32 8  o 2.89381  0.118521  8.41244      0.685953 7.76268      0.961054 9.08721      0.979374 2.77243  0.173323  3.00133  0.163157  
1 1 1 40 32 9  o 3.13934  0.110216  9.89662      0.692011 9.29812      0.973606 10.5077      0.983775 3.03577  0.160356  3.22858  0.152354  
1 1 1 40 32 10 o 1.72967  0.185912  3.02911      0.643134 2.67954      0.884878 3.42054      0.936362 1.59008  0.288911  1.82783  0.25614   
1 1 1 40 32 11 o 1.72821  0.188462  3.02474      0.651407 2.0777       0.895677 4.08812      0.949098 1.38816  0.327516  2.00167  0.237077  
1 1 1 40 32 12 o 0.933638 0.307026  0.871683     0.663233 0.969302     0.906823 0.759405     0.972527 1.01479  0.357907  0.970767 0.366568  
1 1 1 40 32 13 o 0.802929 0.305586  0.487886     0.680292 0.467989     0.927519 0.511052     1.00081  0.880335 0.350932  0.914175 0.364499  
1 1 1 40 32 14 o 5.53975  0.1057    30.8269      1.17111  32.681       1.58673  28.6083      1.73567  5.69428  0.139327  5.31994  0.163128  
1 1 1 40 32 15 f 2.93135  0.137382  8.66854      0.805429 9.08956      1.15541  8.27056      1.12336  2.98898  0.193279  2.85017  0.197069  
1 1 1 40 32 16 o 1.84955  0.215918  3.50134      0.798701 3.9627       1.16227  3.08853      1.09942  1.94743  0.29841   1.68355  0.33842   
1 1 1 40 32 17 o 4.23875  0.0997234 18.0645      0.845404 20.9606      1.20502  15.2573      1.18636  4.55651  0.132231  3.88131  0.15283   
1 1 1 40 32 18 o 3.45517  0.118376  12.0358      0.818019 12.5529      1.09211  11.375       1.23468  3.5183   0.155203  3.33948  0.18486   
1 1 1 40 32 19 o 2.27366  0.162374  5.2539       0.738367 6.6468       0.999763 3.58249      1.09516  2.54767  0.196212  1.84257  0.297184  
1 1 1 40 32 20 o 1.57104  0.207443  2.53998      0.651802 2.77716      0.924929 2.30599      0.918677 1.59631  0.300729  1.44203  0.326136  
1 1 1 40 32 21 f 2.2994   0.14938   5.37555      0.686967 5.86847      0.965981 4.87118      0.97715  2.38626  0.202405  2.16631  0.225533  
1 1 1 40 32 22 o 1.02221  0.313976  1.13865      0.703529 0.645307     1.03093  1.56867      0.962478 0.931756 0.370433  1.1835   0.367999  
1 1 1 40 32 23 o 2.39159  0.158934  5.84618      0.760208 5.06681      1.0518   6.69865      1.10002  2.19665  0.23941   2.53663  0.216827  
1 1 1 40 32 24 o 0.986377 0.331144  1.05356      0.771527 1.33686      1.14799  0.820195     1.04191  1.11181  0.401626  0.96284  0.375288  
1 1 1 40 32 25 o 1.66192  0.243066  2.95119      0.807913 3.67132      1.10004  2.10786      1.19042  1.8221   0.301861  1.30933  0.409692  
1 1 1 40 32 26 o 0.837055 0.325377  0.620897     0.782107 1.40045      1.05097  -0.346628    1.17084  1.09644  0.385446  0.761485 0.346885  
1 1 1 40 32 27 o 0.94844  0.338649  1.00475      0.814104 0.144762     1.13294  1.92289      1.17062  0.816231 0.359139  1.22638  0.407896  
1 1 1 40 32 28 o 1.51666  0.29089   2.69895      0.850883 4.32147      1.23359  1.22643      1.17519  1.87929  0.340749  1.01899  0.398282  
1 1 1 40 32 29 o 0.941191 0.340517  1.05662      0.825508 0.853907     1.15092  1.27141      1.1847   0.923489 0.382176  1.01658  0.399319  
1 1 1 40 32 30 o 0.683404 0.309743  -0.0222841   0.911236 -1.73449     1.30637  1.60025      1.2717   0.614175 0.302515  1.04746  0.412997  
1 1 1 40 32 31 o 0.693802 0.315515  0.0325895    0.959656 0.268028     1.39351  -0.179792    1.32352  0.811363 0.372894  0.746119 0.349889  
1 1 1 40 32 32 o 0.577419 0.279825  -0.790632    1.00811  -1.38311     1.44024  -0.2215      1.41157  0.631832 0.311943  0.717201 0.343859  
1 1 1 40 32 33 o 0.860615 0.365745  1.18263      1.10014  -0.435825    1.46326  3.28704      1.66854  0.69311  0.336277  1.15596  0.46672   
1 1 1 40 32 34 o 0.953584 0.378938  1.99975      1.07836  1.70475      1.57247  2.26165      1.48163  0.818306 0.383316  0.896402 0.401092  
1 1 1 40 33 0  o 0.743149 0.372516  0.833539     0.671905 0.833539     0.671905 0.833539     0.671905 0.767396 0.314936  ?        ?         
1 1 1 40 33 1  o 4.36477  0.0706002 19.08        0.616308 19.0903      0.875254 19.0699      0.867973 4.36261  0.100313  4.36037  0.0995297 
1 1 1 40 33 2  o 3.83404  0.0754328 14.7254      0.578426 13.7233      0.778494 15.9604      0.864245 3.69825  0.105252  3.98791  0.108358  
1 1 1 40 33 3  o 7.65063  0.0783444 58.643       1.19877  57.5075      1.68297  59.8125      1.70794  7.5689   0.111176  7.71925  0.110629  
1 1 1 40 33 4  o 2.59566  0.113761  6.7648       0.59057  6.68148      0.915861 6.82411      0.772664 2.57201  0.178044  2.60326  0.148403  
1 1 1 40 33 5  o 2.67525  0.12836   7.19472      0.68679  7.97181      0.95779  6.37231      0.985331 2.81025  0.17041   2.50871  0.196382  
1 1 1 40 33 6  o 0.914746 0.306715  0.818004     0.661894 1.94076      0.909862 -0.444058    0.964659 1.34189  0.338769  0.710542 0.320541  
1 1 1 40 33 7  o 4.15974  0.0942398 17.3563      0.784025 18.5136      1.1048   16.1822      1.1128   4.2904   0.128752  4.00932  0.138777  
1 1 1 40 33 8  o 2.5117   0.13319   6.3491       0.669066 6.12915      0.92963  6.58546      0.963695 2.45981  0.188963  2.54974  0.188979  
1 1 1 40 33 9  o 0.714583 0.288402  0.24998      0.636775 0.504602     0.874401 -0.0375337   0.929165 0.873846 0.343121  0.768583 0.331611  
1 1 1 40 33 10 o 1.82321  0.179442  3.3624       0.654323 3.41887      0.928314 3.30665      0.922419 1.82783  0.253939  1.79714  0.256635  
1 1 1 40 33 11 o 0.591139 0.266479  -0.312977    0.66548  0.344584     0.911867 -1.06229     0.973405 0.845109 0.343511  0.624433 0.294637  
1 1 1 40 33 12 o 6.45699  0.10626   41.8797      1.37224  39.2237      1.83872  45.2186      2.06162  6.23593  0.14743   6.69292  0.154015  
1 1 1 40 33 13 o 3.22692  0.122526  10.4765      0.790764 11.4262      1.14298  9.60452      1.09517  3.36036  0.170067  3.07918  0.177835  
1 1 1 40 33 14 o 1.31967  0.291352  1.87803      0.748383 2.6014       1.07539  1.19871      1.04214  1.53906  0.356146  1.10042  0.38411   
1 1 1 40 33 15 o 4.0178   0.119585  16.2594      0.96094  14.0731      1.45504  17.9505      1.27972  3.71563  0.1958    4.21235  0.151901  
1 1 1 40 33 16 o 2.06883  0.196168  4.36975      0.811679 3.60444      1.1761   5.06578      1.12161  1.81891  0.335925  2.21222  0.253504  
1 1 1 40 33 17 o 3.35621  0.124647  11.366       0.836684 11.0897      1.14289  11.6849      1.22821  3.30141  0.173092  3.386    0.181365  
1 1 1 40 33 18 o 2.01796  0.171372  4.14561      0.691645 5.14259      0.941126 2.97479      1.01988  2.2373   0.210327  1.64943  0.320604  
1 1 1 40 33 19 o 0.997402 0.314435  1.0618       0.699469 1.05204      0.929576 1.07453      1.06199  1.0254   0.362296  1.05503  0.385778  
1 1 1 40 33 20 o 1.94095  0.168093  3.84655      0.65252  4.1376       0.922688 3.55535      0.922916 1.99492  0.23126   1.8432   0.250358  
1 1 1 40 33 21 o 0.838096 0.302993  0.657341     0.653487 1.694        0.94994  -0.273987    0.900388 1.22571  0.362515  0.696519 0.312137  
1 1 1 40 33 22 o 1.8639   0.197484  3.58933      0.736185 3.7289       1.07315  3.46526      1.0118   1.86677  0.287433  1.8023   0.280698  
1 1 1 40 33 23 o 1.2684   0.293635  1.79604      0.730777 1.38311      1.02031  2.23097      1.04716  1.11762  0.380809  1.38328  0.370838  
1 1 1 40 33 24 o 1.35406  0.284804  2.05828      0.746925 1.94905      1.09225  2.15422      1.0237   1.27304  0.391257  1.34441  0.369482  
1 1 1 40 33 25 o 2.73692  0.157806  7.72125      0.863808 8.08547      1.18817  7.31294      1.25804  2.76586  0.214792  2.61242  0.240781  
1 1 1 40 33 26 o 1.30626  0.328748  2.02777      0.858839 2.61583      1.19953  1.40924      1.23022  1.43578  0.401956  1.10093  0.413063  
1 1 1 40 33 27 o 1.23341  0.338682  1.87019      0.860597 1.67792      1.2374   2.05031      1.19771  1.14283  0.416563  1.24343  0.412588  
1 1 1 40 33 28 f 0.841715 0.33199   0.706591     0.822016 1.47556      1.15301  -0.0882518   1.17224  1.07162  0.400321  0.769258 0.349532  
1 1 1 40 33 29 o 0.820744 0.331759  0.674556     0.844448 0.650595     1.21261  0.697117     1.17666  0.874157 0.378015  0.87714  0.375671  
1 1 1 40 33 30 o 0.935425 0.357587  1.17929      0.9349   2.5842       1.36466  -0.0632509   1.28338  1.24182  0.438947  0.756938 0.351726  
1 1 1 40 33 31 o 1.83764  0.287996  4.25247      1.05847  5.9694       1.47776  2.4436       1.5168   2.03548  0.377166  1.13262  0.449628  
1 1 1 40 33 32 o 0.780312 0.342325  0.774023     1.02316  1.91025      1.45157  -0.347877    1.44239  0.959827 0.414306  0.69464  0.336224  
1 1 1 40 33 33 o 1.51334  0.356337  3.63015      1.06192  3.48112      1.50435  3.77816      1.49921  1.19195  0.454196  1.2606   0.458614  
1 1 1 40 34 0  o 0.92477  0.37088   1.20486      0.663451 1.20486      0.663451 1.20486      0.663451 0.99933  0.271997  ?        ?         
1 1 1 40 34 1  o 4.40213  0.071533  19.4113      0.629795 19.2183      0.891966 19.6031      0.889369 4.37632  0.101908  4.42011  0.100605  
1 1 1 40 34 2  o 3.42034  0.0772433 11.7218      0.528397 12.177       0.739299 11.2465      0.755497 3.48298  0.10613   3.34644  0.112881  
1 1 1 40 34 3  o 2.18902  0.126777  4.81771      0.555033 4.65951      0.843581 4.93848      0.737035 2.14452  0.196683  2.21185  0.166611  
1 1 1 40 34 4  o 3.60725  0.0891427 13.0479      0.643121 14.7044      1.02486  11.9718      0.825995 3.82273  0.134048  3.45146  0.119659  
1 1 1 40 34 5  o 0.636589 0.274547  -0.041186    0.636387 -0.986198    0.876042 1.0147       0.926009 0.590166 0.278811  1.03347  0.36195   
1 1 1 40 34 6  o 1.06531  0.300258  1.20518      0.667133 1.36685      0.901745 1.00969      0.991576 1.14225  0.356406  1.04549  0.373699  
1 1 1 40 34 7  o 3.51318  0.105794  12.392       0.743345 12.8595      1.0322   11.8884      1.07139  3.57254  0.144464  3.43286  0.156049  
1 1 1 40 34 8  o 4.108    0.096941  16.9323      0.796468 17.0465      1.12547  16.8178      1.12729  4.11487  0.136756  4.08694  0.137913  
1 1 1 40 34 9  o 3.20722  0.115494  10.3373      0.74083  9.90228      1.01735  10.8285      1.08092  3.13135  0.162446  3.274    0.165077  
1 1 1 40 34 10 o 1.31318  0.259481  1.82723      0.657239 1.19193      0.907088 2.52937      0.95361  1.08355  0.359059  1.53292  0.321345  
1 1 1 40 34 11 o 4.10893  0.104878  16.9576      0.861873 17.1263      1.17977  16.7645      1.26213  4.12142  0.143127  4.07481  0.15487   
1 1 1 40 34 12 o 3.04545  0.129975  9.34131      0.791666 9.50312      1.11078  9.17425      1.12861  3.06123  0.181427  3.00632  0.187705  
1 1 1 40 34 13 o 1.35682  0.276038  1.97334      0.723052 3.03174      1.05167  1.02455      0.995723 1.67321  0.325896  1.0416   0.374263  
1 1 1 40 34 14 o 5.44748  0.122342  29.9003      1.33291  23.9949      2.19995  33.3255      1.67546  4.83543  0.227482  5.74192  0.145897  
1 1 1 40 34 15 o 0.992098 0.329509  1.00918      0.763925 0.552331     1.12357  1.40193      1.04177  0.949642 0.383168  1.15414  0.384792  
1 1 1 40 34 16 o 3.95904  0.118264  15.8015      0.936426 14.4093      1.2159   17.8311      1.46806  3.76746  0.161369  4.18532  0.175382  
1 1 1 40 34 17 o 1.23085  0.311061  1.66442      0.766514 1.52503      1.07034  1.81116      1.09823  1.18826  0.390034  1.27597  0.39236   
1 1 1 40 34 18 o 1.95646  0.197787  3.92632      0.773926 3.31118      1.08662  4.55962      1.10254  1.73697  0.324833  2.08776  0.264049  
1 1 1 40 34 19 o 1.08067  0.305596  1.28563      0.689952 1.81027      0.900362 0.539255     1.07389  1.26869  0.345557  0.920516 0.373285  
1 1 1 40 34 20 o 2.74109  0.119868  7.59554      0.65714  9.80181      0.980685 5.79761      0.885292 3.10145  0.158101  2.37669  0.186245  
1 1 1 40 34 21 o 2.50861  0.141228  6.39555      0.708572 6.4538       1.01598  6.34039      0.988717 2.49868  0.203304  2.47813  0.199488  
1 1 1 40 34 22 o 1.68237  0.217332  2.94848      0.731266 1.06197      1.05713  4.67955      1.01264  1.03436  0.383927  2.11009  0.239952  
1 1 1 40 34 23 o 0.917377 0.324979  0.870223     0.748383 1.02534      1.01742  0.687345     1.10471  1.00668  0.37605   0.940441 0.379738  
1 1 1 40 34 24 o 2.29091  0.177323  5.44782      0.812461 6.28101      1.12196  4.5292       1.17808  2.42946  0.230908  2.02771  0.290495  
1 1 1 40 34 25 o 1.11402  0.345076  1.46985      0.847387 2.3667       1.18694  0.537541     1.21017  1.37061  0.405173  0.914867 0.385947  
1 1 1 40 34 26 o 2.43874  0.182366  6.25109      0.889485 7.27167      1.22713  5.12124      1.29115  2.58728  0.237147  2.11702  0.304945  
1 1 1 40 34 27 o 1.4861   0.300619  2.62776      0.862267 2.0307       1.25501  3.16162      1.18671  1.214    0.421733  1.55618  0.383304  
1 1 1 40 34 28 o 0.886832 0.334498  0.889536     0.809049 0.79334      1.14857  0.984274     1.13982  0.907341 0.379021  0.945496 0.384142  
1 1 1 40 34 29 o 0.702912 0.311601  0.156739     0.873322 0.399052     1.24446  -0.078395    1.22588  0.821746 0.367641  0.752057 0.347262  
1 1 1 40 34 30 o 1.68918  0.321156  3.72093      1.04583  3.41325      1.44772  4.05675      1.51246  1.41237  0.453113  1.55395  0.456736  
1 1 1 40 34 31 o 0.958435 0.373383  1.53392      1.0311   1.77411      1.46713  1.29949      1.44942  0.963945 0.416307  0.893396 0.398305  
1 1 1 40 34 32 o 0.847612 0.356956  1.10827      1.03224  0.432291     1.44573  1.81123      1.47431  0.770406 0.362211  0.946921 0.4132    
1 1 1 40 34 33 o 0.52085  0.258504  -1.09356     1.02454  -2.55786     1.46756  0.298642     1.43098  0.528627 0.26863   0.687746 0.333321  
1 1 1 40 35 0  o 4.71038  0.103207  22.2623      0.971238 22.2623      0.971238 22.2623      0.971238 4.71433  0.0728777 ?        ?         
1 1 1 40 35 1  o 4.27567  0.0732937 18.3169      0.62676  18.1254      0.880105 18.5139      0.892775 4.24913  0.103563  4.29436  0.103947  
1 1 1 40 35 2  o 4.4573   0.0716522 19.9044      0.638751 20.7557      0.932057 19.1504      0.877106 4.54719  0.102487  4.36814  0.100398  
1 1 1 40 35 3  o 3.0516   0.0986579 9.34488      0.602128 8.90148      0.892173 9.71579      0.815993 2.97142  0.150126  3.10732  0.131302  
1 1 1 40 35 4  o 1.84046  0.159361  3.41818      0.586594 3.67918      0.890798 3.21836      0.779447 1.8993   0.234506  1.77859  0.21912   
1 1 1 40 35 5  o 3.89129  0.104468  15.2013      0.813028 15.6163      1.10916  14.7193      1.19525  3.93766  0.14084   3.81971  0.156458  
1 1 1 40 35 6  o 5.60531  0.0918848 31.5151      1.03009  31.6656      1.36448  31.3156      1.57071  5.61214  0.121565  5.57595  0.140847  
1 1 1 40 35 7  o 4.77078  0.0942898 22.836       0.899671 23.0415      1.23484  22.6034      1.31344  4.7852   0.129027  4.73722  0.13863   
1 1 1 40 35 8  o 1.75332  0.193237  3.11896      0.677612 3.5108       0.955041 2.72175      0.961568 1.84978  0.258151  1.59478  0.312619  
1 1 1 40 35 9  o 3.77847  0.10404   14.3384      0.786222 14.1118      1.07834  14.5955      1.14876  3.74106  0.144123  3.80309  0.15103   
1 1 1 40 35 10 o 2.22879  0.162913  5.02067      0.726197 5.67415      1.01025  4.32198      1.0446   2.36008  0.214029  2.05198  0.254536  
1 1 1 40 35 11 o 7.08736  0.107982  50.4956      1.53062  51.2218      2.28998  49.9092      2.05782  7.11533  0.160919  7.03062  0.146347  
1 1 1 40 35 12 o 1.48739  0.241774  2.2769       0.719221 3.49326      1.02103  1.07894      1.01328  1.83408  0.278349  1.05989  0.377874  
1 1 1 40 35 13 o 2.27891  0.169416  5.26945      0.772167 4.55951      1.13209  5.88705      1.0559   2.09661  0.269982  2.39679  0.220274  
1 1 1 40 35 14 o 2.2196   0.170422  5.00619      0.756538 4.44358      1.07988  5.54851      1.06021  2.06899  0.260967  2.32197  0.2283    
1 1 1 40 35 15 o 0.517208 0.247481  -0.930483    0.722072 -0.0713937   1.01552  -1.80894     1.0269   0.785649 0.34288   0.563496 0.275279  
1 1 1 40 35 16 o 1.28616  0.311017  1.81745      0.792414 2.09776      1.08602  1.4983       1.1588   1.36531  0.382541  1.1887   0.405832  
1 1 1 40 35 17 o 1.92026  0.208749  3.79281      0.801704 4.59648      1.1119   2.92262      1.157    2.09589  0.265258  1.61166  0.367041  
1 1 1 40 35 18 o 0.81828  0.322033  0.482688     0.771857 1.20659      1.04913  -0.371469    1.13962  1.08446  0.384715  0.773731 0.348758  
1 1 1 40 35 19 o 2.80409  0.129347  7.9625       0.725404 7.95856      0.983399 7.96721      1.07438  2.78844  0.176335  2.78363  0.192982  
1 1 1 40 35 20 o 2.00338  0.183635  4.1208       0.735784 4.47122      0.997425 3.70245      1.08981  2.06738  0.241229  1.86201  0.292644  
1 1 1 40 35 21 o 2.72654  0.136229  7.55542      0.742868 7.13868      1.08275  7.92606      1.0211   2.62312  0.206387  2.77429  0.18403   
1 1 1 40 35 22 o 0.624596 0.280037  -0.215473    0.725472 -0.666706    1.01737  0.25135      1.0348   0.674264 0.313252  0.832722 0.354329  
1 1 1 40 35 23 o 1.42984  0.288472  2.30342      0.796024 2.00878      1.13727  2.5864       1.11456  1.28284  0.40025   1.46362  0.378162  
1 1 1 40 35 24 o 0.688881 0.302416  -0.0138639   0.799592 0.0074767    1.08145  -0.0395987   1.18758  0.788795 0.348581  0.812205 0.361366  
1 1 1 40 35 25 o 0.875142 0.338629  0.739532     0.845099 0.913007     1.17796  0.55555      1.21311  0.975229 0.392811  0.909583 0.385197  
1 1 1 40 35 26 f 0.604989 0.28086   -0.45052     0.815904 1.373        1.19764  -2.0298      1.11456  1.05956  0.404819  0.553079 0.273388  
1 1 1 40 35 27 o 1.17738  0.340788  1.75799      0.848323 2.14245      1.2073   1.38305      1.19226  1.24137  0.414237  1.04601  0.402737  
1 1 1 40 35 28 o 1.21873  0.344099  1.9686       0.875426 1.62248      1.25174  2.29997      1.22478  1.06597  0.412195  1.24008  0.417225  
1 1 1 40 35 29 o 1.46638  0.340649  2.89414      0.980824 3.16941      1.32371  2.55901      1.46055  1.40694  0.430378  1.21285  0.451058  
1 1 1 40 35 30 o 1.00768  0.375281  1.59569      1.01174  2.24191      1.40872  0.907293     1.45398  1.09805  0.434129  0.871582 0.393341  
1 1 1 40 35 31 o 0.75182  0.335062  0.621647     1.02483  1.8346       1.45689  -0.56644     1.44188  0.944146 0.411382  0.675874 0.329428  
1 1 1 40 35 32 o 0.666744 0.311593  0.1676       1.02563  0.0172131    1.45008  0.318148     1.45085  0.703639 0.339979  0.730992 0.350022  
1 1 1 40 36 0  o 6.11881  0.108154  37.5533      1.32262  37.5533      1.32262  37.5533      1.32262  6.12341  0.0763922 ?        ?         
1 1 1 40 36 1  o 3.36266  0.0839182 11.3361      0.564376 11.1407      0.803709 11.5262      0.792702 3.32897  0.120714  3.38661  0.117035  
1 1 1 40 36 2  o 6.24101  0.0753035 39.0302      0.939939 38.9399      1.39688  39.105       1.27062  6.22587  0.112184  6.24158  0.101787  
1 1 1 40 36 3  o 2.13863  0.13556   4.60464      0.579824 4.39923      0.909468 4.74531      0.752613 2.07909  0.218718  2.1663   0.17371   
1 1 1 40 36 4  o 0.766051 0.300989  0.37525      0.673256 -0.111597    0.969029 0.829553     0.93608  0.769621 0.33542   0.980517 0.361809  
1 1 1 40 36 5  o 2.78213  0.138177  7.79715      0.76885  8.82007      1.00965  6.38521      1.1862   2.95325  0.170939  2.49988  0.237251  
1 1 1 40 36 6  o 2.20264  0.159518  4.90044      0.702724 5.10839      0.967038 4.66775      1.02292  2.23963  0.215893  2.13642  0.2394    
1 1 1 40 36 7  o 2.49784  0.143756  6.29061      0.71816  5.46573      0.99278  7.19607      1.04014  2.31666  0.214269  2.66226  0.195349  
1 1 1 40 36 8  o 0.675105 0.287539  0.0302524    0.682619 0.335526     0.951641 -0.293294    0.979709 0.855768 0.34989   0.739532 0.328656  
1 1 1 40 36 9  o 2.25442  0.159577  5.13893      0.71951  5.45719      1.01348  4.81551      1.02165  2.31182  0.219195  2.16818  0.235601  
1 1 1 40 36 10 o 3.81819  0.113798  14.6714      0.869004 14.6793      1.25327  14.6641      1.206    3.80627  0.164633  3.80613  0.158429  
1 1 1 40 36 11 o 2.52995  0.156581  6.47975      0.792284 6.43577      1.15925  6.51831      1.08532  2.50336  0.231538  2.52393  0.215006  
1 1 1 40 36 12 o 2.36848  0.158045  5.68327      0.748651 5.78306      1.08965  5.59405      1.03034  2.37209  0.229681  2.33546  0.220587  
1 1 1 40 36 13 o 2.27198  0.168145  5.24479      0.764042 4.87091      1.11177  5.57941      1.05177  2.16669  0.256559  2.32842  0.225854  
1 1 1 40 36 14 o 0.91402  0.325914  0.79083      0.753794 0.84051      1.11024  0.748344     1.0267   1.0099   0.388677  0.967139 0.373447  
1 1 1 40 36 15 o 2.20103  0.180013  4.94121      0.792429 3.7092       1.05771  6.51748      1.19639  1.88028  0.281264  2.50902  0.238418  
1 1 1 40 36 16 o 1.33118  0.304044  1.94657      0.792053 1.61413      1.05654  2.37311      1.19678  1.21034  0.386965  1.44091  0.400878  
1 1 1 40 36 17 o 1.10263  0.328279  1.3383       0.77717  0.314481     1.05854  2.53551      1.14467  0.868606 0.363419  1.48785  0.382591  
1 1 1 40 36 18 o 1.40317  0.295242  2.16635      0.802425 2.12881      1.08688  2.21132      1.18967  1.36214  0.383031  1.38287  0.404639  
1 1 1 40 36 19 o 1.11722  0.332751  1.38528      0.798385 1.53692      1.1578   1.2478       1.10241  1.18429  0.405656  1.09914  0.393915  
1 1 1 40 36 20 o 1.02417  0.320407  1.15438      0.728145 1.67497      1.03314  0.640577     1.02639  1.21003  0.382231  0.922794 0.368748  
1 1 1 40 36 21 o 2.36212  0.161305  5.72056      0.762043 5.57384      1.01309  5.91176      1.15647  2.30774  0.219499  2.36397  0.244603  
1 1 1 40 36 22 o 0.680894 0.29915   -0.04263     0.783701 -0.0874527   1.13914  -0.00235035  1.07987  0.796963 0.354272  0.79305  0.349668  
1 1 1 40 36 23 o 0.676669 0.29583   0.00122402   0.758665 -0.270746    1.06372  0.282804     1.08235  0.738885 0.334786  0.839593 0.359969  
1 1 1 40 36 24 o 2.04383  0.206798  4.42394      0.845322 6.04824      1.19649  2.80519      1.19445  2.35645  0.253875  1.49358  0.394093  
1 1 1 40 36 25 o 1.6658   0.258296  3.07301      0.86054  2.4708       1.21815  3.67293      1.21583  1.36322  0.412037  1.71984  0.364575  
1 1 1 40 36 26 o 1.18044  0.341533  1.75971      0.852203 1.69193      1.22462  1.82336      1.18667  1.12637  0.414029  1.1614   0.409444  
1 1 1 40 36 27 o 0.568258 0.271325  -0.762577    0.856152 -1.08758     1.17749  -0.398028    1.24707  0.642072 0.309341  0.735611 0.343703  
1 1 1 40 36 28 o 0.570944 0.273814  -0.772729    0.896634 -0.77196     1.23537  -0.773586    1.30343  0.672706 0.322322  0.689391 0.330501  
1 1 1 40 36 29 o 1.51796  0.326632  3.06129      0.963212 2.84518      1.39439  3.25854      1.33212  1.27938  0.444527  1.41085  0.431777  
1 1 1 40 36 30 o 0.754134 0.335193  0.56735      1.01947  0.923163     1.4392   0.208999     1.44432  0.838453 0.382663  0.758025 0.358059  
1 1 1 40 36 31 o 0.727361 0.329279  0.452108     1.02682  0.00772564   1.44091  0.910632     1.46366  0.727481 0.348456  0.823542 0.379957  
1 1 1 40 36 32 o 0.587011 0.283699  -0.292077    1.01215  0.0844825    1.44936  -0.65052     1.41407  0.672132 0.328085  0.617598 0.305921  
1 1 1 40 37 0  o 3.72071  0.118233  13.9236      0.87781  13.9236      0.87781  13.9236      0.87781  3.72609  0.0833861 ?        ?         
1 1 1 40 37 1  o 1.97521  0.128396  3.92686      0.507217 3.68698      0.696757 4.19729      0.739803 1.90761  0.182625  2.03548  0.181727  
1 1 1 40 37 2  o 4.37197  0.0751185 19.1568      0.656831 19.0314      0.927056 19.2832      0.930755 4.35272  0.106492  4.38147  0.106215  
1 1 1 40 37 3  o 1.41817  0.19417   2.04135      0.550733 2.61301      0.85686  1.63897      0.718889 1.56922  0.283397  1.2351   0.294712  
1 1 1 40 37 4  o 3.26082  0.125317  10.6996      0.817274 9.66862      1.1429   11.7785      1.16914  3.08827  0.185039  3.41192  0.171332  
1 1 1 40 37 5  o 1.85079  0.194179  3.4773       0.718769 4.29983      0.991694 2.56703      1.04325  2.04942  0.241946  1.53673  0.34754   
1 1 1 40 37 6  o 4.1636   0.101478  17.409       0.845024 17.1705      1.17833  17.6615      1.21249  4.12628  0.142784  4.18433  0.144884  
1 1 1 40 37 7  o 2.72318  0.136394  7.47694      0.742851 8.90901      1.03637  5.96374      1.06533  2.96469  0.174786  2.41606  0.220468  
1 1 1 40 37 8  o 0.637674 0.281988  -0.182447    0.709341 -0.108859    1.00893  -0.254374    0.997484 0.781041 0.341309  0.750398 0.332787  
1 1 1 40 37 9  o 1.96319  0.203462  3.93421      0.798871 3.65788      1.15051  4.19147      1.11012  1.86881  0.307819  2.00934  0.276239  
1 1 1 40 37 10 o 3.35318  0.129858  11.3405      0.870872 10.5106      1.30435  12.008       1.1698   3.20831  0.203277  3.43995  0.170032  
1 1 1 40 37 11 o 2.73303  0.140788  7.55019      0.769557 7.44226      1.10076  7.65338      1.07629  2.69749  0.204034  2.73768  0.19657   
1 1 1 40 37 12 o 5.46323  0.105338  30.0373      1.15098  26.7328      1.69945  32.8375      1.56438  5.12993  0.16564   5.69952  0.137238  
1 1 1 40 37 13 o 0.729197 0.305063  0.161862     0.745784 0.854146     1.09603  -0.435029    1.01772  1.00963  0.386821  0.723709 0.32771   
1 1 1 40 37 14 o 3.76269  0.117797  14.28        0.886465 14.3443      1.2236   14.2089      1.28604  3.7562   0.162877  3.73483  0.172168  
1 1 1 40 37 15 o 1.22373  0.321252  1.65762      0.796257 0.833313     1.0979   2.57233      1.15654  0.999693 0.386145  1.50395  0.383297  
1 1 1 40 37 16 o 3.93233  0.128415  15.6493      1.00994  16.7639      1.35285  14.2462      1.51788  4.05352  0.166874  3.7185   0.204098  
1 1 1 40 37 17 o 2.334    0.17535   5.57408      0.818532 6.37982      1.10992  4.61337      1.21196  2.47932  0.223835  2.08226  0.29102   
1 1 1 40 37 18 o 1.7123   0.240252  3.0625       0.822766 1.33116      1.17334  4.73732      1.15403  1.13111  0.40629   2.11664  0.27261   
1 1 1 40 37 19 o 0.532852 0.256006  -1.04077     0.792683 -0.442664    1.14839  -1.58507     1.09552  0.759332 0.345271  0.604347 0.292607  
1 1 1 40 37 20 o 1.90544  0.215054  3.78917      0.819547 2.98252      1.23224  4.42902      1.09746  1.58842  0.390183  2.03599  0.269516  
1 1 1 40 37 21 f 1.07731  0.328752  1.32806      0.773002 1.05889      1.11145  1.58023      1.07581  1.02459  0.390408  1.16271  0.391028  
1 1 1 40 37 22 o 0.833427 0.328393  0.582341     0.803549 0.954435     1.11491  0.180125     1.15916  0.991197 0.387828  0.843155 0.367166  
1 1 1 40 37 23 o 0.572293 0.268762  -0.65961     0.791227 0.346177     1.10508  -1.71758     1.13339  0.852275 0.364512  0.593576 0.289809  
1 1 1 40 37 24 o 1.71155  0.236932  3.18364      0.811041 3.74359      1.16203  2.65177      1.13251  1.76502  0.341367  1.44318  0.385093  
1 1 1 40 37 25 o 0.696092 0.307018  0.0543551    0.833436 0.582507     1.19722  -0.442259    1.16093  0.886563 0.379298  0.720438 0.334673  
1 1 1 40 37 26 o 1.38233  0.328006  2.37917      0.894368 2.02584      1.23687  2.76636      1.29477  1.20071  0.418524  1.39368  0.425512  
1 1 1 40 37 27 o 0.822506 0.333417  0.711408     0.856311 -0.262992    1.20797  1.69566      1.21406  0.728133 0.339456  1.07475  0.408468  
1 1 1 40 37 28 o 0.710334 0.316781  0.185889     0.917395 0.93381      1.29191  -0.574871    1.30295  0.897662 0.389206  0.702048 0.335089  
1 1 1 40 37 29 o 1.02145  0.372108  1.69297      0.987264 0.0759399    1.385    3.36339      1.40768  0.75108  0.353531  1.33179  0.447294  
1 1 1 40 37 30 o 1.11783  0.382028  2.21077      1.02685  2.4309       1.42095  1.97016      1.48558  1.04976  0.4281    0.95923  0.416652  
1 1 1 40 37 31 o 1.10435  0.381644  2.32615      1.02662  2.71522      1.44698  1.9318       1.45678  1.03342  0.428148  0.904058 0.401395  
1 1 1 40 38 0  o 3.80238  0.121139  14.5453      0.919114 14.5453      0.919114 14.5453      0.919114 3.80809  0.0854301 ?        ?         
1 1 1 40 38 1  o 1.3234   0.192235  1.77807      0.508806 1.60683      0.712217 1.95656      0.727135 1.22203  0.294452  1.35396  0.278072  
1 1 1 40 38 2  o 3.74971  0.0812877 14.0993      0.60961  13.8055      0.831662 14.4405      0.896189 3.70571  0.112213  3.78886  0.118266  
1 1 1 40 38 3  o 4.37757  0.0938044 19.2359      0.82127  19.3746      1.19361  19.1113      1.13176  4.38404  0.136131  4.3557   0.129917  
1 1 1 40 38 4  o 2.77727  0.146387  7.78766      0.813112 7.9312       1.13997  7.63901      1.16013  2.79008  0.204289  2.73626  0.211991  
1 1 1 40 38 5  o 3.45508  0.117765  12.0165      0.813776 10.957       1.09273  13.3357      1.21936  3.28867  0.166136  3.62757  0.168068  
1 1 1 40 38 6  o 3.43713  0.119071  11.8973      0.818525 11.7828      1.17748  12.0043      1.13864  3.40755  0.172775  3.44152  0.165426  
1 1 1 40 38 7  o 1.73208  0.216595  3.07094      0.75032  1.7464       1.08609  4.28027      1.03778  1.26617  0.390356  2.03597  0.254862  
1 1 1 40 38 8  o 4.16318  0.134452  17.4917      1.11949  17.662       1.61062  17.3326      1.55713  4.16304  0.193443  4.12592  0.188701  
1 1 1 40 38 9  o 0.678189 0.295481  -0.0773055   0.751512 -0.965868    1.03724  0.904561     1.09034  0.65871  0.309052  1.02574  0.387898  
1 1 1 40 38 10 o 2.2542   0.172468  5.16742      0.777557 4.9575       1.11046  5.36933      1.08911  2.18662  0.253921  2.28032  0.238807  
1 1 1 40 38 11 f 2.97467  0.130116  8.93615      0.774107 9.13407      1.07365  8.72188      1.11715  2.99424  0.179286  2.92222  0.191147  
1 1 1 40 38 12 o 3.70722  0.115798  13.8549      0.858581 14.3787      1.25815  13.3983      1.17458  3.76009  0.167304  3.63163  0.161716  
1 1 1 40 38 13 o 4.14115  0.127421  17.3254      1.05534  17.9301      1.52496  16.7696      1.46199  4.19029  0.181963  4.05316  0.180352  
1 1 1 40 38 14 o 3.24804  0.134422  10.6783      0.873218 10.3414      1.2039   11.0524      1.26847  3.17754  0.189438  3.28342  0.193162  
1 1 1 40 38 15 o 1.34341  0.310041  2.00076      0.816713 1.47673      1.10678  2.62724      1.21014  1.16677  0.396617  1.50797  0.396116  
1 1 1 40 38 16 o 1.05065  0.340927  1.19173      0.817892 0.481859     1.12787  1.97906      1.18781  0.921842 0.379575  1.31351  0.40889   
1 1 1 40 38 17 o 4.26575  0.128826  18.4299      1.09908  16.9688      1.57728  19.8088      1.53236  4.06052  0.194221  4.39941  0.174155  
1 1 1 40 38 18 o 2.17289  0.19492   4.87836      0.847078 4.12214      1.22756  5.56579      1.17039  1.94771  0.315129  2.29502  0.254984  
1 1 1 40 38 19 o 1.02538  0.337774  1.15031      0.802728 1.97879      1.14243  0.342403     1.12816  1.29694  0.400457  0.882366 0.372457  
1 1 1 40 38 20 o 0.877542 0.33822   0.685906     0.841323 0.985561     1.22565  0.418903     1.15694  1.02746  0.405343  0.894942 0.377444  
1 1 1 40 38 21 o 1.4984   0.299532  2.55318      0.865903 3.04093      1.2684   2.12747      1.185    1.56827  0.402424  1.31038  0.408505  
1 1 1 40 38 22 o 2.23704  0.190218  5.24003      0.851054 4.97682      1.21146  5.49649      1.19584  2.12071  0.285626  2.24262  0.266617  
1 1 1 40 38 23 o 0.670607 0.295974  -0.024098    0.776296 0.493873     1.08838  -0.560494    1.10757  0.868187 0.366121  0.702398 0.326523  
1 1 1 40 38 24 o 0.574944 0.272962  -0.75438     0.848976 -2.90416     1.17898  1.56093      1.22353  0.517322 0.259955  1.10373  0.412368  
1 1 1 40 38 25 o 1.02959  0.351172  1.33003      0.867677 1.45035      1.2268   1.20959      1.22736  1.06255  0.408648  1.00934  0.403271  
1 1 1 40 38 26 o 0.698702 0.311275  0.0738838    0.88376  0.194176     1.2548   -0.0445205   1.24491  0.806461 0.364601  0.771926 0.353796  
1 1 1 40 38 27 o 0.829146 0.339668  0.76662      0.898603 -0.0740242   1.24711  1.67436      1.29592  0.748426 0.347367  1.0425   0.415051  
1 1 1 40 38 28 o 1.00093  0.355137  1.4564       0.894043 0.0435197    1.26058  2.8864       1.26819  0.75166  0.349009  1.31865  0.424193  
1 1 1 40 38 29 o 1.04361  0.383716  1.92377      1.05192  1.34657      1.50569  2.4741       1.47024  0.885073 0.399806  1.06702  0.435354  
1 1 1 40 38 30 o 0.80165  0.349012  0.913962     1.04693  0.546753     1.42879  1.33969      1.53844  0.772104 0.362338  0.866756 0.395604  
1 1 1 40 39 0  o 2.86326  0.140945  8.29779      0.802665 8.29779      0.802665 8.29779      0.802665 2.87201  0.0990778 ?        ?         
1 1 1 40 39 1  o 0.574357 0.244346  0.0225172    0.491933 -0.173182    0.68518  0.230711     0.706715 0.627638 0.2774    0.734385 0.3011    
1 1 1 40 39 2  o 2.59613  0.101245  6.77439      0.525692 6.65759      0.72489  6.90395      0.763491 2.56756  0.141164  2.61373  0.146054  
1 1 1 40 39 3  o 2.52567  0.131217  6.43413      0.662823 7.20621      0.996724 5.82199      0.887502 2.66123  0.187268  2.39241  0.185483  
1 1 1 40 39 4  o 1.98897  0.199118  4.03515      0.79208  3.72565      1.04969  4.44442      1.20707  1.89392  0.27712   2.06422  0.292378  
1 1 1 40 39 5  o 4.23623  0.105907  18.0479      0.897293 17.1614      1.2613   18.9563      1.27677  4.11814  0.15314   4.33001  0.147433  
1 1 1 40 39 6  o 0.650624 0.288934  -0.220956    0.755364 -0.329503    1.10068  -0.124325    1.03852  0.775971 0.346493  0.787743 0.34524   
1 1 1 40 39 7  o 2.57687  0.156073  6.7283       0.804362 6.70831      1.10089  6.75119      1.17811  2.55789  0.215195  2.56157  0.229958  
1 1 1 40 39 8  o 1.22921  0.301127  1.64889      0.735461 3.10429      1.06015  0.298619     1.02114  1.68734  0.325776  0.86221  0.358593  
1 1 1 40 39 9  o 3.03381  0.132034  9.29724      0.801133 9.34414      1.16208  9.25476      1.10595  3.02448  0.192112  3.01275  0.183545  
1 1 1 40 39 10 o 3.88941  0.109326  15.2353      0.850425 15.4846      1.18561  14.9712      1.22052  3.90825  0.15168   3.84038  0.158906  
1 1 1 40 39 11 o 1.75739  0.21747   3.17871      0.764359 2.63313      1.10884  3.67268      1.05509  1.53166  0.366361  1.87056  0.282026  
1 1 1 40 39 12 o 3.33935  0.135896  11.285       0.907609 12.9422      1.34561  9.90178      1.22936  3.5562   0.189193  3.10725  0.197821  
1 1 1 40 39 13 o 1.89309  0.217024  3.70091      0.821693 4.77505      1.09978  2.34365      1.23625  2.13667  0.257359  1.42659  0.4109    
1 1 1 40 39 14 o 1.66376  0.246195  2.89324      0.819217 3.23722      1.15127  2.54042      1.16597  1.69779  0.350975  1.48525  0.388206  
1 1 1 40 39 15 o 1.28014  0.330876  1.83903      0.853062 1.01715      1.19196  2.70203      1.2214   1.05604  0.403745  1.52677  0.396525  
1 1 1 40 39 16 o 2.15188  0.194831  4.76794      0.838507 3.96281      1.19693  5.54387      1.17503  1.91904  0.311857  2.2965   0.25583   
1 1 1 40 39 17 o 1.9331   0.211319  3.88291      0.816999 3.72228      1.16432  4.03871      1.14671  1.82235  0.331723  1.93695  0.296008  
1 1 1 40 39 18 o 3.77052  0.126587  14.4275      0.954598 14.0561      1.37296  14.7751      1.32817  3.69056  0.18601   3.79041  0.175201  
1 1 1 40 39 19 o 1.31716  0.323434  1.99753      0.846932 0.633787     1.23064  3.2246       1.16735  0.955816 0.395351  1.65809  0.362019  
1 1 1 40 39 20 o 1.34464  0.336924  2.12615      0.905078 3.91656      1.29012  0.390987     1.27006  1.81598  0.368051  0.910018 0.390042  
1 1 1 40 39 21 o 2.91124  0.163224  8.76443      0.950372 10.1746      1.32144  7.25355      1.36782  3.10059  0.213094  2.57925  0.265158  
1 1 1 40 39 22 o 0.911249 0.335564  0.883859     0.804746 1.90683      1.24026  0.140016     1.0576   1.22129  0.419729  0.795943 0.348619  
1 1 1 40 39 23 o 0.678887 0.30171   -0.0450621   0.8257   -1.12544     1.12051  1.23873      1.22145  0.634753 0.304821  1.0334   0.405609  
1 1 1 40 39 24 o 0.849075 0.340579  0.694356     0.880322 0.75328      1.26569  0.63914      1.22523  0.925752 0.392821  0.898699 0.384074  
1 1 1 40 39 25 o 0.791597 0.326118  0.546917     0.832991 -0.374665    1.16989  1.49458      1.18633  0.71752  0.334336  1.05267  0.402694  
1 1 1 40 39 26 o 1.29726  0.336042  2.24668      0.87867  2.81765      1.24081  1.67236      1.24445  1.35317  0.417247  1.05473  0.410341  
1 1 1 40 39 27 o 0.844787 0.342118  0.858288     0.900371 2.50134      1.27598  -0.771129    1.27067  1.22882  0.425399  0.672471 0.323339  
1 1 1 40 39 28 o 0.441093 0.222458  -2.19467     0.913199 -3.28053     1.28594  -1.08995     1.29705  0.494598 0.251364  0.623587 0.305806  
1 1 1 40 39 29 o 0.661001 0.308786  0.0243774    1.00599  -1.47264     1.41323  1.56213      1.43233  0.60951  0.302657  0.908383 0.40133   
1 1 1 40 39 30 o 0.586796 0.283476  -0.33729     1.00652  0.640734     1.4238   -1.31429     1.42306  0.728256 0.348238  0.586193 0.292807  
1 1 1 40 40 0  o 0.644487 0.400598  0.380566     1.00914  0.380566     1.00914  0.380566     1.00914  0.57749  0.347965  ?        ?         
1 1 1 40 40 1  o 0.633768 0.362485  0.558164     0.713521 0.558164     0.713521 0.558164     0.713521 0.608632 0.318683  ?        ?         
1 1 1 40 40 2  o 5.07497  0.107413  25.8685      1.08914  25.8685      1.08914  25.8685      1.08914  5.08053  0.0758308 ?        ?         
1 1 1 40 40 3  o 1.36417  0.418562  2.38342      0.995996 2.38342      0.995996 2.38342      0.995996 1.46588  0.266618  ?        ?         
1 1 1 40 40 4  o 0.509766 0.353648  -0.713181    1.16614  -0.713181    1.16614  -0.713181    1.16614  0.404825 0.284139  ?        ?         
1 1 1 40 40 5  o 3.0154   0.191286  9.2946       1.14297  9.2946       1.14297  9.2946       1.14297  3.03223  0.133862  ?        ?         
1 1 1 40 40 6  o 3.41423  0.179098  11.8591      1.21528  11.8591      1.21528  11.8591      1.21528  3.42907  0.125685  ?        ?         
1 1 1 40 40 7  o 4.22888  0.168156  18.1148      1.41711  18.1148      1.41711  18.1148      1.41711  4.24257  0.118303  ?        ?         
1 1 1 40 40 8  o 0.807472 0.448164  0.986546     1.05056  0.986546     1.05056  0.986546     1.05056  0.799667 0.393173  ?        ?         
1 1 1 40 40 9  o 4.47499  0.144138  20.2151      1.287    20.2151      1.287    20.2151      1.287    4.48553  0.10156   ?        ?         
1 1 1 40 40 10 o 1.54833  0.401102  2.92072      1.07134  2.92072      1.07134  2.92072      1.07134  1.64271  0.247472  ?        ?         
1 1 1 40 40 11 o 3.21514  0.19457   10.5792      1.24064  10.5792      1.24064  10.5792      1.24064  3.23406  0.136179  ?        ?         
1 1 1 40 40 12 o 1.14747  0.495016  2.001        1.16009  2.001        1.16009  2.001        1.16009  1.25311  0.376265  ?        ?         
1 1 1 40 40 13 o 0.69248  0.43134   0.481227     1.17481  0.481227     1.17481  0.481227     1.17481  0.626516 0.37652   ?        ?         
1 1 1 40 40 14 o 0.507411 0.350576  -0.60831     1.12736  -0.60831     1.12736  -0.60831     1.12736  0.406513 0.283613  ?        ?         
1 1 1 40 40 15 o 2.54463  0.23883   6.78627      1.19086  6.78627      1.19086  6.78627      1.19086  2.57568  0.165018  ?        ?         
1 1 1 40 40 16 o 1.27282  0.477209  2.32346      1.12956  2.32346      1.12956  2.32346      1.12956  1.39955  0.32874   ?        ?         
1 1 1 40 40 17 o 1.14632  0.480719  1.99766      1.10044  1.99766      1.10044  1.99766      1.10044  1.26094  0.356667  ?        ?         
1 1 1 40 40 18 o 3.33756  0.194372  11.4746      1.28739  11.4746      1.28739  11.4746      1.28739  3.36277  0.135856  ?        ?         
1 1 1 40 40 19 o 1.23501  0.521234  2.40968      1.29203  2.40968      1.29203  2.40968      1.29203  1.37601  0.384101  ?        ?         
1 1 1 40 40 20 o 0.760945 0.461404  0.829426     1.27258  0.829426     1.27258  0.829426     1.27258  0.723618 0.409534  ?        ?         
1 1 1 40 40 21 o 1.21358  0.48597   2.27298      1.13962  2.27298      1.13962  2.27298      1.13962  1.3558   0.34421   ?        ?         
1 1 1 40 40 22 f 0.806138 0.463599  1.1169       1.17433  1.1169       1.17433  1.1169       1.17433  0.813191 0.412811  ?        ?         
1 1 1 40 40 23 o 0.465364 0.329619  -0.933337    1.16905  -0.933337    1.16905  -0.933337    1.16905  0.370239 0.265493  ?        ?         
1 1 1 40 40 24 o 0.924121 0.49095   1.60863      1.21094  1.60863      1.21094  1.60863      1.21094  1.00165  0.42451   ?        ?         
1 1 1 40 40 25 o 0.615662 0.403682  0.344196     1.1956   0.344196     1.1956   0.344196     1.1956   0.557747 0.355097  ?        ?         
1 1 1 40 40 26 o 0.913911 0.498781  1.74798      1.27713  1.74798      1.27713  1.74798      1.27713  1.0144   0.436653  ?        ?         
1 1 1 40 40 27 o 1.0157   0.510628  2.20387      1.26391  2.20387      1.26391  2.20387      1.26391  1.19707  0.414648  ?        ?         
1 1 1 40 40 28 o 0.41622  0.305023  -1.77656     1.36177  -1.77656     1.36177  -1.77656     1.36177  0.330965 0.244194  ?        ?         
1 1 1 40 40 29 o 0.648865 0.43321   0.792614     1.47716  0.792614     1.47716  0.792614     1.47716  0.630838 0.39833   ?        ?         
1 1 1 41 0  0  o 0.649394 0.395703  0.402039     0.946244 0.402039     0.946244 0.402039     0.946244 0.583023 0.343499  ?        ?         
1 1 1 41 0  1  o 23.5242  0.238071  553.893      11.1983  553.893      11.1983  553.893      11.1983  23.5295  0.168284  ?        ?         
1 1 1 41 0  2  o 13.8357  0.142589  191.531      3.94471  191.531      3.94471  191.531      3.94471  13.8376  0.1008    ?        ?         
1 1 1 41 0  3  o 17.9779  0.189168  323.439      6.79999  323.439      6.79999  323.439      6.79999  17.9812  0.133721  ?        ?         
1 1 1 41 0  4  o 21.1442  0.232322  447.502      9.82185  447.502      9.82185  447.502      9.82185  21.1492  0.164215  ?        ?         
1 1 1 41 0  5  o 6.8174   0.105451  46.5161      1.43702  46.5161      1.43702  46.5161      1.43702  6.81883  0.0745291 ?        ?         
1 1 1 41 0  6  o 28.1771  0.306842  795.112      17.2873  795.112      17.2873  795.112      17.2873  28.1874  0.216863  ?        ?         
1 1 1 41 0  7  o 22.7264  0.250413  517.075      11.3789  517.075      11.3789  517.075      11.3789  22.7328  0.176994  ?        ?         
1 1 1 41 0  8  o 14.1248  0.158971  199.652      4.48961  199.652      4.48961  199.652      4.48961  14.1273  0.112374  ?        ?         
1 1 1 41 0  9  o 9.414    0.119732  88.6839      2.25349  88.6839      2.25349  88.6839      2.25349  9.4156   0.0846335 ?        ?         
1 1 1 41 0  10 o 14.2337  0.161208  202.754      4.58785  202.754      4.58785  202.754      4.58785  14.2364  0.113953  ?        ?         
1 1 1 41 0  11 o 35.7739  0.360641  1282.81      25.7972  1282.81      25.7972  1282.81      25.7972  35.7951  0.254831  ?        ?         
1 1 1 41 0  12 o 20.1226  0.21345   405.393      8.58818  405.393      8.58818  405.393      8.58818  20.1285  0.150869  ?        ?         
1 1 1 41 0  13 o 10.8129  0.136148  117.02       2.94325  117.02       2.94325  117.02       2.94325  10.8152  0.0962331 ?        ?         
1 1 1 41 0  14 o 17.7172  0.191266  314.286      6.77562  314.286      6.77562  314.286      6.77562  17.7226  0.135186  ?        ?         
1 1 1 41 0  15 o 7.13247  0.109365  50.9247      1.55925  50.9247      1.55925  50.9247      1.55925  7.13432  0.077292  ?        ?         
1 1 1 41 0  16 o 10.6875  0.134758  114.341      2.87943  114.341      2.87943  114.341      2.87943  10.6903  0.0952469 ?        ?         
1 1 1 41 0  17 o 1.85084  0.24759   3.61287      0.879957 3.61287      0.879957 3.61287      0.879957 1.87739  0.168857  ?        ?         
1 1 1 41 0  18 o 0.580889 0.366328  0.188797     0.880437 0.188797     0.880437 0.188797     0.880437 0.50363  0.31382   ?        ?         
1 1 1 41 0  19 o 5.90531  0.11305   34.9342      1.33408  34.9342      1.33408  34.9342      1.33408  5.90793  0.0798696 ?        ?         
1 1 1 41 0  20 o 5.75026  0.115834  33.1313      1.33093  33.1313      1.33093  33.1313      1.33093  5.75312  0.0818285 ?        ?         
1 1 1 41 0  21 o 0.783646 0.417786  0.902081     0.87927  0.902081     0.87927  0.902081     0.87927  0.782285 0.362241  ?        ?         
1 1 1 41 0  22 o 0.864125 0.43334   1.11979      0.909384 1.11979      0.909384 1.11979      0.909384 0.890227 0.36657   ?        ?         
1 1 1 41 0  23 o 0.97478  0.434733  1.39128      0.893161 1.39128      0.893161 1.39128      0.893161 1.03958  0.343149  ?        ?         
1 1 1 41 0  24 o 0.487348 0.329097  -0.33261     0.901695 -0.33261     0.901695 -0.33261     0.901695 0.393424 0.269375  ?        ?         
1 1 1 41 0  25 o 3.14865  0.171813  10.0356      1.07459  10.0356      1.07459  10.0356      1.07459  3.15838  0.120692  ?        ?         
1 1 1 41 0  26 o 0.634669 0.396258  0.315322     0.998812 0.315322     0.998812 0.315322     0.998812 0.561022 0.341858  ?        ?         
1 1 1 41 0  27 o 1.71229  0.375471  3.36998      1.12434  3.36998      1.12434  3.36998      1.12434  1.78538  0.231351  ?        ?         
1 1 1 41 0  28 o 5.1413   0.161024  26.6339      1.65207  26.6339      1.65207  26.6339      1.65207  5.15105  0.113518  ?        ?         
1 1 1 41 0  29 o 2.91975  0.21781   8.74201      1.25563  8.74201      1.25563  8.74201      1.25563  2.93853  0.152001  ?        ?         
1 1 1 41 0  30 o 1.27033  0.502894  2.31003      1.22539  2.31003      1.22539  2.31003      1.22539  1.38421  0.363047  ?        ?         
1 1 1 41 0  31 o 0.597898 0.389382  0.0450522    1.09042  0.0450522    1.09042  0.0450522    1.09042  0.508831 0.329829  ?        ?         
1 1 1 41 0  32 o 0.838097 0.466574  1.06679      1.14339  1.06679      1.14339  1.06679      1.14339  0.829773 0.409812  ?        ?         
1 1 1 41 0  33 o 0.700646 0.435006  0.497772     1.18732  0.497772     1.18732  0.497772     1.18732  0.634459 0.379762  ?        ?         
1 1 1 41 0  34 f 0.542752 0.371226  -0.49277     1.20398  -0.49277     1.20398  -0.49277     1.20398  0.439378 0.30393   ?        ?         
1 1 1 41 0  35 o 1.09368  0.515509  1.93392      1.2621   1.93392      1.2621   1.93392      1.2621   1.18707  0.41584   ?        ?         
1 1 1 41 0  36 o 1.29524  0.522676  2.57617      1.31522  2.57617      1.31522  2.57617      1.31522  1.44207  0.373854  ?        ?         
1 1 1 41 0  37 o 3.93268  0.189883  15.9308      1.48556  15.9308      1.48556  15.9308      1.48556  3.96216  0.132899  ?        ?         
1 1 1 41 0  38 o 0.88154  0.494867  1.39932      1.30087  1.39932      1.30087  1.39932      1.30087  0.911819 0.438947  ?        ?         
1 1 1 41 0  39 o 0.486601 0.348249  -1.31972     1.4031   -1.31972     1.4031   -1.31972     1.4031   0.384867 0.278392  ?        ?         
1 1 1 41 0  40 o 0.729075 0.468869  0.859899     1.51259  0.859899     1.51259  0.859899     1.51259  0.699876 0.423725  ?        ?         
1 1 1 41 0  41 o 0.508642 0.366604  -1.28482     1.64262  -1.28482     1.64262  -1.28482     1.64262  0.416773 0.301437  ?        ?         
1 1 1 41 0  42 o 0.821747 0.520996  1.93035      1.80319  1.93035      1.80319  1.93035      1.80319  0.896208 0.495228  ?        ?         
1 1 1 41 1  0  o 0.435531 0.294267  -0.286098    0.722691 -0.286098    0.722691 -0.286098    0.722691 0.349867 0.239986  ?        ?         
1 1 1 41 1  1  o 19.5874  0.148674  383.852      5.82427  386.938      7.89356  380.165      8.62902  19.662   0.200731  19.4873  0.221401  
1 1 1 41 1  2  o 8.36036  0.0788236 69.9052      1.31799  70.7495      1.89902  69.1205      1.83069  8.41008  0.112901  8.31276  0.110113  
1 1 1 41 1  3  o 7.99439  0.0784054 63.9191      1.25361  64.4855      1.83729  63.4258      1.71478  8.0291   0.114414  7.96299  0.107672  
1 1 1 41 1  4  o 19.8261  0.156703  393.296      6.21363  390.681      9.13593  395.546      8.47594  19.7535  0.231249  19.8779  0.2132    
1 1 1 41 1  5  o 12.5329  0.102147  157.112      2.5604   157.644      3.67625  156.611      3.56809  12.5524  0.146436  12.5114  0.142594  
1 1 1 41 1  6  o 13.0981  0.104079  171.605      2.72647  170.982      3.99891  172.146      3.72706  13.0722  0.152955  13.1172  0.142068  
1 1 1 41 1  7  o 5.51035  0.0702039 30.3678      0.773696 31.3724      1.15748  29.5563      1.04023  5.60033  0.10334   5.43593  0.0956809 
1 1 1 41 1  8  o 16.4635  0.116414  271.145      3.83317  269.08       5.38479  273.267      5.45777  16.3976  0.164194  16.5246  0.165141  
1 1 1 41 1  9  o 17.7766  0.129151  316.159      4.59174  314.429      6.38869  318.008      6.60408  17.7238  0.180229  17.8239  0.185259  
1 1 1 41 1  10 o 14.9436  0.116488  223.404      3.4815   223.008      4.97185  223.784      4.8767   14.927   0.166539  14.9533  0.163065  
1 1 1 41 1  11 o 6.07463  0.0818361 36.9096      0.994249 38.3586      1.39383  35.4086      1.41866  6.19208  0.112549  5.94906  0.119234  
1 1 1 41 1  12 o 15.3313  0.120349  235.184      3.69022  231.697      5.38093  238.28       5.07042  15.2121  0.176863  15.428   0.164325  
1 1 1 41 1  13 o 9.5024   0.0863399 90.3262      1.64087  89.5843      2.34761  91.0348      2.29439  9.46155  0.124061  9.53805  0.120276  
1 1 1 41 1  14 o 12.2209  0.0994294 149.425      2.43023  145.72       3.41194  153.24       3.46233  12.0653  0.141395  12.3728  0.139917  
1 1 1 41 1  15 o 9.92693  0.0853508 98.5852      1.69454  100.298      2.39837  96.8776      2.39453  10.0108  0.119789  9.83845  0.121693  
1 1 1 41 1  16 o 13.1097  0.104427  171.986      2.73802  172.208      3.82024  171.751      3.92623  13.1136  0.145659  13.0957  0.149905  
1 1 1 41 1  17 o 3.46449  0.104427  12.0125      0.723573 14.0957      1.05444  10.1586      0.994739 3.75161  0.140532  3.18429  0.156195  
1 1 1 41 1  18 o 8.08149  0.0813489 65.3501      1.31484  66.8582      1.85436  63.8252      1.86462  8.17188  0.11346   7.98409  0.116771  
1 1 1 41 1  19 o 8.68915  0.0837623 75.5583      1.45565  76.959       2.05592  74.1502      2.06128  8.76616  0.117265  8.60443  0.11978   
1 1 1 41 1  20 o 3.61827  0.0989547 13.1075      0.71609  12.4407      1.02489  13.7435      1.00094  3.52259  0.145474  3.70309  0.13515   
1 1 1 41 1  21 o 2.01787  0.156258  4.08584      0.630615 4.60384      0.902389 3.5914       0.881623 2.13892  0.210945  1.88782  0.233503  
1 1 1 41 1  22 o 4.9576   0.084592  24.606       0.838747 23.6174      1.17835  25.6214      1.19414  4.85398  0.12138   5.05605  0.118091  
1 1 1 41 1  23 o 1.50759  0.216298  2.29271      0.652179 1.24433      0.896457 3.47145      0.950559 1.11279  0.356512  1.8518   0.256658  
1 1 1 41 1  24 o 6.80818  0.0832293 46.4184      1.13328  46.1014      1.61305  46.7273      1.59255  6.77986  0.118959  6.82612  0.116651  
1 1 1 41 1  25 o 1.98991  0.17282   3.98825      0.687793 3.71501      0.954797 4.28298      0.991621 1.91313  0.249538  2.05517  0.24125   
1 1 1 41 1  26 f 2.36133  0.161349  5.61717      0.761996 5.42197      1.09204  5.80239      1.06377  2.31038  0.236334  2.39219  0.222341  
1 1 1 41 1  27 o 3.14236  0.139109  9.93563      0.874265 10.0012      1.23578  9.86995      1.23702  3.14282  0.196603  3.12184  0.198124  
1 1 1 41 1  28 o 2.70313  0.168736  7.3817       0.912231 7.35535      1.28951  7.4081       1.29067  2.68417  0.240205  2.69393  0.239552  
1 1 1 41 1  29 o 5.8266   0.100589  34.0851      1.17219  33.9296      1.65055  34.2432      1.66499  5.80173  0.142246  5.82829  0.142837  
1 1 1 41 1  30 f 2.35443  0.181493  5.63058      0.854627 6.5211       1.18891  4.67846      1.22935  2.52052  0.235847  2.12102  0.289801  
1 1 1 41 1  31 o 4.48894  0.108439  20.2801      0.973552 18.6293      1.36577  21.9854      1.38812  4.28642  0.159314  4.66059  0.148921  
1 1 1 41 1  32 o 2.89105  0.152828  8.47728      0.883669 9.55945      1.26582  7.44855      1.23418  3.05178  0.207391  2.686    0.229742  
1 1 1 41 1  33 o 2.93256  0.157789  8.75301      0.925453 8.88001      1.30107  8.62294      1.31665  2.92883  0.222114  2.88335  0.228319  
1 1 1 41 1  34 o 1.69522  0.258137  3.02085      0.8752   1.98791      1.22046  4.11439      1.25574  1.31486  0.415447  1.95223  0.321616  
1 1 1 41 1  35 o 0.880399 0.34528   0.619363     0.884758 -0.339287    1.23928  1.61594      1.26355  0.803852 0.362938  1.20208  0.422629  
1 1 1 41 1  36 o 1.51331  0.312753  2.61827      0.914384 2.98773      1.29731  2.25352      1.289    1.55342  0.411095  1.34434  0.427178  
1 1 1 41 1  37 o 1.81206  0.250528  3.55851      0.907943 1.82968      1.27678  5.32713      1.29139  1.21083  0.42492   2.18366  0.295694  
1 1 1 41 1  38 o 1.4251   0.333241  2.48327      0.933783 3.82788      1.32099  1.14035      1.32015  1.72127  0.392317  1.01904  0.413618  
1 1 1 41 1  39 o 1.12565  0.376258  1.68352      0.996065 0.744973     1.38011  2.70392      1.43903  0.930769 0.402898  1.34064  0.452248  
1 1 1 41 1  40 o 0.818428 0.35581   0.59304      1.0852   1.28769      1.45278  -0.283864    1.63227  0.969739 0.416448  0.795776 0.378128  
1 1 1 41 1  41 f 0.651532 0.313361  -0.546142    1.19557  -0.115098    1.68834  -0.979705    1.69326  0.771022 0.371209  0.70882  0.348181  
1 1 1 41 1  42 o 0.964565 0.405677  1.83386      1.33036  2.84031      1.84009  0.731631     1.92566  1.04644  0.459077  0.826612 0.397598  
1 1 1 41 2  0  o 9.13468  0.116434  83.4958      2.1264   83.4958      2.1264   83.4958      2.1264   9.13614  0.0823032 ?        ?         
1 1 1 41 2  1  o 6.53304  0.0833475 42.6874      1.08903  45.7068      1.53509  39.628       1.54519  6.75968  0.113547  6.29399  0.122751  
1 1 1 41 2  2  o 11.2709  0.10217   127.065      2.3031   128.383      3.21791  125.68       3.2977   11.328   0.142034  11.2079  0.147115  
1 1 1 41 2  3  o 2.75323  0.102111  7.58215      0.562268 7.46554      0.783467 7.70599      0.807409 2.73165  0.143405  2.77527  0.145465  
1 1 1 41 2  4  o 9.04743  0.0856542 81.8704      1.5499   81.5645      2.22123  82.1607      2.16368  9.02965  0.122996  9.06269  0.119373  
1 1 1 41 2  5  o 8.42882  0.0743902 71.0547      1.25404  70.3787      1.76737  71.7402      1.77967  8.38804  0.10535   8.46879  0.105072  
1 1 1 41 2  6  o 14.1867  0.104085  201.319      2.95325  201.498      4.28009  201.157      4.08013  14.1908  0.150805  14.1792  0.143878  
1 1 1 41 2  7  o 13.2908  0.0991397 176.693      2.6353   176.714      3.73278  176.672      3.721    13.2898  0.140438  13.2883  0.140011  
1 1 1 41 2  8  o 17.5304  0.123006  307.448      4.31269  306.112      6.0867   308.796      6.1115   17.4885  0.17402   17.565   0.173968  
1 1 1 41 2  9  f 14.9176  0.119119  222.63       3.55392  221.73       4.94511  223.592      5.11099  14.8843  0.166118  14.9463  0.170978  
1 1 1 41 2  10 o 7.6714   0.0877231 58.8653      1.34592  57.3715      1.94027  60.2507      1.86859  7.57236  0.128115  7.76028  0.120394  
1 1 1 41 2  11 o 4.57959  0.087237  20.9786      0.79902  20.5747      1.17372  21.3274      1.0908   4.53452  0.12942   4.61696  0.11813   
1 1 1 41 2  12 o 6.62531  0.075847  43.9056      1.00502  44.9641      1.46646  42.9681      1.38009  6.70378  0.109376  6.55341  0.105296  
1 1 1 41 2  13 o 4.60895  0.0814791 21.2493      0.751067 21.1212      0.999588 21.4153      1.1382   4.59446  0.108782  4.62597  0.123023  
1 1 1 41 2  14 o 2.13167  0.156783  4.5501       0.668418 3.68073      0.977085 5.31483      0.916402 1.91516  0.255092  2.30293  0.198964  
1 1 1 41 2  15 o 8.11491  0.0827071 65.8791      1.34232  65.7286      1.91434  66.0248      1.88272  8.10387  0.118112  8.12224  0.115899  
1 1 1 41 2  16 f 6.23132  0.0780516 38.8456      0.972729 39.2025      1.32976  38.4349      1.42664  6.25872  0.106232  6.19672  0.115112  
1 1 1 41 2  17 o 2.21978  0.146834  4.93599      0.65188  5.50165      0.903596 4.32208      0.941358 2.34202  0.19291   2.07462  0.226874  
1 1 1 41 2  18 f 3.85148  0.0952385 14.8473      0.733618 15.761       1.05822  14.0018      1.01794  3.96653  0.133394  3.73848  0.136143  
1 1 1 41 2  19 o 5.71773  0.0785755 32.7149      0.898547 32.9892      1.27985  32.4483      1.26182  5.73964  0.111492  5.69244  0.110833  
1 1 1 41 2  20 o 8.43606  0.0850179 71.2334      1.43443  72.662       1.98108  69.659       2.0797   8.51678  0.116305  8.33784  0.124714  
1 1 1 41 2  21 o 3.9649   0.0930061 15.7403      0.737519 16.0802      1.05449  15.4148      1.0319   4.00489  0.13165   3.92117  0.13158   
1 1 1 41 2  22 o 4.56038  0.0879704 20.8242      0.802357 20.0735      1.12862  21.5914      1.14089  4.4743   0.126123  4.6407   0.122922  
1 1 1 41 2  23 f 5.77846  0.0824802 33.4349      0.953218 33.6119      1.32844  33.2471      1.36856  5.79017  0.114715  5.75812  0.118838  
1 1 1 41 2  24 o 3.41516  0.112121  11.6949      0.765823 12.8143      1.05513  10.4486      1.11329  3.57138  0.14772   3.22217  0.172754  
1 1 1 41 2  25 o 1.99007  0.172345  3.9902       0.685959 3.38048      0.95061  4.6526       0.990826 1.82303  0.260722  2.14258  0.231223  
1 1 1 41 2  26 o 3.15387  0.13238   9.99796      0.835021 11.1195      1.17525  8.85465      1.18663  3.31948  0.177023  2.95841  0.200551  
1 1 1 41 2  27 o 2.74409  0.150181  7.58661      0.82422  7.5273       1.20511  7.63874      1.12978  2.72119  0.22143   2.74429  0.205842  
1 1 1 41 2  28 o 3.62259  0.132484  13.2055      0.959869 13.4157      1.38725  13.0125      1.32951  3.63893  0.190612  3.58509  0.185423  
1 1 1 41 2  29 o 2.72234  0.159964  7.48682      0.870955 7.51592      1.20808  7.45532      1.2568   2.71467  0.222509  2.70126  0.232632  
1 1 1 41 2  30 o 1.27144  0.325306  1.76512      0.830641 0.247006     1.1586   3.37066      1.1915   0.900496 0.37865   1.75628  0.351624  
1 1 1 41 2  31 o 1.53626  0.278532  2.5313       0.824304 3.29639      1.17852  1.79851      1.15337  1.72846  0.35312   1.27834  0.403865  
1 1 1 41 2  32 o 1.4377   0.297342  2.25125      0.825976 0.547184     1.15904  4.0097       1.17739  0.952343 0.387218  1.94699  0.302361  
1 1 1 41 2  33 o 1.29326  0.332646  1.87586      0.865141 2.19517      1.22427  1.55735      1.22272  1.37849  0.412354  1.1988   0.41629   
1 1 1 41 2  34 o 1.44575  0.305957  2.31653      0.857519 2.31164      1.21187  2.32143      1.21357  1.40772  0.407269  1.41049  0.407388  
1 1 1 41 2  35 o 1.32175  0.332702  1.99795      0.87951  2.02449      1.24011  1.97108      1.24755  1.3071   0.419371  1.29221  0.421085  
1 1 1 41 2  36 o 0.932393 0.35104   0.864896     0.890018 1.11397      1.27037  0.624793     1.2473   1.05312  0.413558  0.948427 0.395502  
1 1 1 41 2  37 o 2.99965  0.163314  9.33171      0.97977  9.98898      1.35566  8.61297      1.41763  3.0576   0.221687  2.81301  0.251977  
1 1 1 41 2  38 o 0.898363 0.353053  0.841077     0.926498 0.89641      1.30267  0.784434     1.318    0.962921 0.403034  0.944462 0.400813  
1 1 1 41 2  39 o 0.649081 0.304636  -0.547801    1.01089  0.342391     1.44366  -1.40418     1.41598  0.870861 0.392537  0.68042  0.330332  
1 1 1 41 2  40 o 0.709778 0.331885  -0.223474    1.16556  1.33093      1.68622  -1.64569     1.61293  0.980023 0.433898  0.684085 0.336962  
1 1 1 41 2  41 o 0.590676 0.290905  -1.30431     1.22811  -2.37098     1.67201  -0.0546046   1.80978  0.620237 0.310765  0.778872 0.376929  
1 1 1 41 2  42 o 0.693265 0.328212  0.0401012    1.21976  0.0400596    1.78855  0.0401373    1.66777  0.75488  0.36775   0.743985 0.360357  
1 1 1 41 3  0  o 6.859    0.106663  47.0865      1.4624   47.0865      1.4624   47.0865      1.4624   6.86048  0.0753851 ?        ?         
1 1 1 41 3  1  o 4.21971  0.0829715 17.8089      0.700231 17.1146      0.976725 18.543       1.00441  4.13629  0.118068  4.30545  0.116644  
1 1 1 41 3  2  o 7.74245  0.0834051 59.9557      1.29152  58.98        1.75844  61.0984      1.90309  7.67862  0.114502  7.81513  0.121757  
1 1 1 41 3  3  o 11.5444  0.0922237 133.301      2.12933  134.308      3.10694  132.408      2.92403  11.5866  0.134075  11.5046  0.127082  
1 1 1 41 3  4  o 8.77783  0.0749493 77.0612      1.31578  76.0832      1.82757  78.1137      1.89591  8.72134  0.104776  8.8369   0.107272  
1 1 1 41 3  5  o 17.8993  0.128935  320.525      4.61572  320.673      6.3168   320.356      6.76103  17.9     0.176447  17.8901  0.18896   
1 1 1 41 3  6  f 13.3076  0.106846  177.147      2.84373  171.792      3.82363  183.774      4.25398  13.1031  0.145905  13.5518  0.156953  
1 1 1 41 3  7  o 17.7374  0.128534  314.765      4.55973  312.093      6.32884  317.648      6.57507  17.658   0.179206  17.814   0.184548  
1 1 1 41 3  8  o 5.36058  0.0727949 28.7404      0.780446 29.2796      1.12107  28.2334      1.08715  5.41019  0.103607  5.31267  0.102316  
1 1 1 41 3  9  o 4.62286  0.0857953 21.3759      0.79324  22.5593      1.21907  20.5069      1.04464  4.74841  0.128366  4.52749  0.115367  
1 1 1 41 3  10 o 2.8781   0.117961  8.2876       0.679006 8.37245      0.931995 8.1916       0.991262 2.89217  0.161124  2.86056  0.173264  
1 1 1 41 3  11 o 2.68897  0.114783  7.23445      0.617297 7.65099      0.889182 6.84692      0.857652 2.76457  0.160817  2.61522  0.163973  
1 1 1 41 3  12 o 10.2063  0.085276  104.204      1.74071  103.297      2.38962  105.23       2.54081  10.1603  0.117596  10.2545  0.123887  
1 1 1 41 3  13 o 18.7874  0.138545  353.316      5.2058   351.391      7.15846  355.477      7.5842   18.7279  0.191118  18.8345  0.201337  
1 1 1 41 3  14 o 8.5595   0.0799236 73.2919      1.36821  72.1898      1.96429  74.3306      1.90687  8.4932   0.115639  8.6185   0.110627  
1 1 1 41 3  15 f 3.66283  0.099725  13.4249      0.730551 13.7229      1.02736  13.12        1.03905  3.70213  0.138753  3.61973  0.143525  
1 1 1 41 3  16 o 2.67092  0.121285  7.14155      0.647885 7.11929      0.903392 7.16511      0.929668 2.66536  0.169469  2.67377  0.17385   
1 1 1 41 3  17 o 13.707   0.108357  188.074      2.9705   187.683      4.20873  188.463      4.19314  13.6855  0.153766  13.7141  0.152877  
1 1 1 41 3  18 o 9.18261  0.0849521 84.3843      1.56016  83.8014      2.21446  84.9588      2.19844  9.14732  0.121044  9.21046  0.119344  
1 1 1 41 3  19 o 5.14299  0.0803543 26.4703      0.826524 26.1667      1.15759  26.786       1.18051  5.11151  0.113234  5.17158  0.114134  
1 1 1 41 3  20 o 3.06226  0.110892  9.3932       0.67916  10.0423      0.979197 8.79145      0.942793 3.16379  0.154751  2.95992  0.15926   
1 1 1 41 3  21 o 3.14826  0.107611  9.92899      0.677576 11.6042      0.979221 8.39007      0.938547 3.40107  0.143958  2.89071  0.162339  
1 1 1 41 3  22 o 3.08726  0.109719  9.55151      0.67746  9.80886      0.948248 9.28321      0.968211 3.12551  0.151695  3.03997  0.159247  
1 1 1 41 3  23 o 1.81523  0.178694  3.31623      0.648741 4.13261      0.905128 2.4538       0.930305 2.02276  0.223735  1.52407  0.315832  
1 1 1 41 3  24 o 1.71324  0.197876  2.96105      0.678015 3.39223      0.935013 2.4829       0.984627 1.82845  0.255685  1.52839  0.331434  
1 1 1 41 3  25 o 2.75511  0.133334  7.6267       0.734698 6.42668      0.997034 9.05253      1.0868   2.52205  0.197663  2.9957   0.181394  
1 1 1 41 3  26 o 2.20083  0.181546  4.89191      0.799104 5.51129      1.16563  4.34268      1.09763  2.32568  0.250601  2.06199  0.266159  
1 1 1 41 3  27 o 4.82504  0.101008  23.3639      0.974732 22.9455      1.3756   23.7857      1.38138  4.77276  0.144109  4.85985  0.142122  
1 1 1 41 3  28 o 2.60478  0.169416  6.8561       0.882581 6.7357       1.30392  6.95791      1.19899  2.56493  0.254183  2.61253  0.229468  
1 1 1 41 3  29 o 2.09437  0.201965  4.45848      0.845977 4.67737      1.1657   4.21492      1.22964  2.13047  0.273578  2.01516  0.305099  
1 1 1 41 3  30 o 3.89499  0.120275  15.2818      0.93694  14.5514      1.31317  16.0391      1.33722  3.78603  0.173423  3.97665  0.168134  
1 1 1 41 3  31 o 1.07412  0.340262  1.2304       0.818292 1.63975      1.16987  0.83827      1.14501  1.2329   0.407765  1.01814  0.39412   
1 1 1 41 3  32 o 1.91967  0.220832  3.80102      0.847849 2.836        1.18779  4.80349      1.21061  1.58279  0.379553  2.13672  0.283288  
1 1 1 41 3  33 o 1.0736   0.349281  1.248        0.858356 0.700733     1.21871  1.78671      1.20914  0.991578 0.399485  1.26     0.414553  
1 1 1 41 3  34 o 1.26686  0.342696  1.8237       0.889279 2.36707      1.28334  1.32179      1.23341  1.41531  0.421944  1.13061  0.41552   
1 1 1 41 3  35 o 1.03067  0.353521  1.15876      0.879472 1.1441       1.23597  1.17381      1.2517   1.07248  0.410811  1.08176  0.413692  
1 1 1 41 3  36 o 1.42473  0.32122   2.35675      0.893467 2.94536      1.25551  1.75281      1.27176  1.54102  0.402862  1.20314  0.423897  
1 1 1 41 3  37 o 2.05133  0.226183  4.52259      0.927955 4.81676      1.29471  4.21185      1.33068  2.05095  0.315638  1.85584  0.371629  
1 1 1 41 3  38 o 0.911748 0.358893  0.886776     0.958851 2.54013      1.33378  -0.881612    1.37941  1.33794  0.435396  0.730865 0.347437  
1 1 1 41 3  39 o 1.62114  0.334276  3.34931      1.04679  0.95119      1.55347  5.34386      1.41674  0.960175 0.421518  2.01887  0.364188  
1 1 1 41 3  40 o 0.777891 0.352784  0.26996      1.18386  2.1932       1.87244  -1.01083     1.52803  1.09209  0.470962  0.710258 0.344296  
1 1 1 41 3  41 o 0.924194 0.390412  1.5063       1.2411   1.13369      1.69568  1.93621      1.82142  0.866528 0.403283  0.952108 0.433435  
1 1 1 41 3  42 f 0.77318  0.355294  0.773384     1.26457  -1.17891     1.81314  2.62256      1.7646   0.671517 0.334729  0.979375 0.437982  
1 1 1 41 4  0  o 7.04317  0.111185  49.651       1.56532  49.651       1.56532  49.651       1.56532  7.04476  0.0785801 ?        ?         
1 1 1 41 4  1  o 10.1947  0.0889278 103.953      1.81319  105.662      2.52601  102.137      2.60425  10.2772  0.122894  10.1042  0.12887   
1 1 1 41 4  2  o 11.1962  0.0899284 125.381      2.01371  126.011      2.93739  124.822      2.76597  11.223   0.130865  11.1702  0.12381   
1 1 1 41 4  3  o 13.8231  0.101351  191.13       2.80199  190.142      3.95243  192.128      3.97288  13.7855  0.143355  13.8573  0.14335   
1 1 1 41 4  4  o 12.4607  0.0969705 155.309      2.41665  154.099      3.44794  156.478      3.38817  12.4104  0.138913  12.506   0.135461  
1 1 1 41 4  5  o 28.4004  0.198062  807.451      11.2501  811.178      15.6448  803.461      16.1891  28.4514  0.27494   28.3133  0.285893  
1 1 1 41 4  6  o 7.52729  0.0767337 56.6697      1.15519  57.608       1.75647  55.9545      1.53352  7.58853  0.115732  7.47914  0.10252   
1 1 1 41 4  7  o 4.14395  0.0885357 17.1764      0.733775 19.6812      1.23524  15.8105      0.912158 4.43505  0.139258  3.97545  0.114724  
1 1 1 41 4  8  o 14.0681  0.113619  197.991      3.19681  202.144      4.82146  194.734      4.27045  14.2112  0.169636  13.9495  0.153068  
1 1 1 41 4  9  o 3.91498  0.0874061 15.3312      0.684387 14.7816      0.993157 15.8281      0.94442  3.84356  0.129197  3.97748  0.118721  
1 1 1 41 4  10 o 9.17647  0.0797006 84.2284      1.46274  83.0532      2.03548  85.4835      2.10344  9.11111  0.111703  9.24337  0.113781  
1 1 1 41 4  11 o 8.59378  0.0795498 73.8738      1.36727  72.8076      1.87045  75.0972      2.00363  8.53043  0.109634  8.66326  0.11564   
1 1 1 41 4  12 o 5.66566  0.0763669 32.1089      0.865338 33.6512      1.23517  30.6223      1.21269  5.79934  0.106492  5.5321   0.109604  
1 1 1 41 4  13 o 2.05307  0.154774  4.22063      0.635525 3.55537      0.834853 5.13741      0.98004  1.88305  0.221675  2.2637   0.216469  
1 1 1 41 4  14 o 7.32497  0.0760149 53.674       1.11361  52.4147      1.50005  55.2201      1.66218  7.23743  0.103631  7.42819  0.111883  
1 1 1 41 4  15 o 5.9325   0.0795767 35.2098      0.944178 33.4072      1.29681  37.2433      1.37737  5.77738  0.112232  6.10004  0.112898  
1 1 1 41 4  16 o 2.80637  0.111483  7.88343      0.625727 7.98474      0.866295 7.77292      0.904782 2.82308  0.153431  2.78507  0.162434  
1 1 1 41 4  17 o 4.03477  0.0910521 16.2923      0.734748 15.115       1.04244  17.4546      1.03578  3.88447  0.13418   4.1748   0.124051  
1 1 1 41 4  18 o 2.9569   0.109729  8.75474      0.648912 8.54703      0.920005 8.96038      0.915412 2.91958  0.157558  2.98957  0.153101  
1 1 1 41 4  19 o 1.51952  0.198584  2.32018      0.603505 1.60704      0.861238 3.00821      0.845938 1.23889  0.3382    1.72802  0.244771  
1 1 1 41 4  20 o 3.67846  0.0961839 13.5488      0.707618 12.7822      1.01684  14.2687      0.985346 3.57007  0.142412  3.77282  0.130585  
1 1 1 41 4  21 o 1.21603  0.262954  1.55269      0.621407 2.29664      0.878859 0.808943     0.878745 1.47732  0.307602  0.972851 0.35139   
1 1 1 41 4  22 o 2.41265  0.134823  5.84048      0.65056  5.77559      0.900441 5.91134      0.940958 2.3954   0.187952  2.42285  0.194184  
1 1 1 41 4  23 o 2.38826  0.144012  5.72824      0.687875 5.54952      0.945339 5.92936      1.00281  2.34597  0.201482  2.42439  0.206817  
1 1 1 41 4  24 o 1.69028  0.195409  2.88281      0.660594 2.80224      0.920787 2.96825      0.94826  1.63388  0.292342  1.70741  0.277689  
1 1 1 41 4  25 o 1.63336  0.218095  2.7033       0.712456 2.89802      0.983519 2.4883       1.03347  1.65574  0.3085    1.52346  0.346852  
1 1 1 41 4  26 f 4.08874  0.11094   16.7821      0.907212 15.4711      1.31566  17.9706      1.25264  3.91598  0.167986  4.2246   0.148256  
1 1 1 41 4  27 o 2.05385  0.20113   4.27993      0.826183 2.54629      1.22323  5.73418      1.12034  1.52439  0.397249  2.37071  0.236287  
1 1 1 41 4  28 o 2.79553  0.15093   7.88294      0.843859 7.44304      1.22736  8.27732      1.16211  2.70162  0.227151  2.85447  0.20356   
1 1 1 41 4  29 o 4.04332  0.123602  16.4562      0.999527 16.1292      1.34749  16.8564      1.49037  3.9915   0.168795  4.07618  0.182815  
1 1 1 41 4  30 o 4.78061  0.105972  22.9865      1.01323  23.2941      1.45208  22.6946      1.4145   4.79812  0.151317  4.7367   0.149312  
1 1 1 41 4  31 o 2.39785  0.176488  5.85532      0.846384 5.36373      1.20794  6.32944      1.18629  2.26902  0.266181  2.47423  0.239729  
1 1 1 41 4  32 o 1.64372  0.255415  2.81942      0.839662 4.67829      1.19094  0.98214      1.18401  2.10742  0.282559  1.05388  0.402549  
1 1 1 41 4  33 o 0.81578  0.331411  0.385742     0.848295 1.43582      1.21582  -0.610331    1.18415  1.16458  0.414049  0.754154 0.345401  
1 1 1 41 4  34 o 1.86191  0.23965   3.64087      0.892415 4.33673      1.27181  2.96594      1.25254  1.99601  0.318587  1.58844  0.395356  
1 1 1 41 4  35 o 1.93213  0.233483  3.94866      0.90224  3.50625      1.2788   4.38716      1.27314  1.71919  0.381952  1.98971  0.319931  
1 1 1 41 4  36 o 0.841631 0.340808  0.530185     0.893369 0.186524     1.26467  0.872482     1.26216  0.870777 0.38131   0.995596 0.404321  
1 1 1 41 4  37 o 1.89638  0.242908  3.9209       0.921295 3.87012      1.27139  3.97704      1.33689  1.76988  0.371064  1.78004  0.386362  
1 1 1 41 4  38 o 1.37628  0.348346  2.40185      0.960179 1.49859      1.30409  3.47127      1.41897  1.07925  0.420023  1.56843  0.436557  
1 1 1 41 4  39 f 0.736722 0.331156  0.110244     1.02039  0.750009     1.55961  -0.368573    1.34924  0.921661 0.411975  0.74976  0.351898  
1 1 1 41 4  40 o 0.954124 0.400557  1.29906      1.2931   1.61873      2.16418  1.12157      1.61261  1.0088   0.464084  0.937962 0.419098  
1 1 1 41 4  41 o 0.928288 0.396795  1.61994      1.30818  1.24675      1.69098  2.17622      2.06453  0.866686 0.403113  0.947499 0.44252   
1 1 1 41 4  42 o 0.738878 0.345045  0.707999     1.25473  1.02633      1.77927  0.393086     1.76968  0.777879 0.375979  0.733399 0.358999  
1 1 1 41 5  0  o 18.9797  0.199684  360.539      7.57797  360.539      7.57797  360.539      7.57797  18.9837  0.14115   ?        ?         
1 1 1 41 5  1  o 18.1167  0.133512  328.37       4.83757  322.729      7.19159  333.032      6.53777  17.955   0.200268  18.2413  0.179203  
1 1 1 41 5  2  o 10.7996  0.0837791 116.654      1.80956  117.387      2.57278  115.935      2.54565  10.8325  0.118753  10.7653  0.118234  
1 1 1 41 5  3  o 5.83469  0.0656578 34.0477      0.766186 33.3375      1.07894  34.7701      1.08822  5.77317  0.0934446 5.89592  0.0922857 
1 1 1 41 5  4  o 11.156   0.0892324 124.484      1.99095  125.231      2.86922  123.79       2.76494  11.1881  0.128227  11.1237  0.124282  
1 1 1 41 5  5  f 8.8923   0.077515  79.0869      1.37857  79.3547      2.0086   78.8484      1.8955   8.90647  0.112761  8.87818  0.106751  
1 1 1 41 5  6  o 13.0051  0.107336  169.191      2.79182  168.153      4.35922  169.913      3.63514  12.9618  0.168156  13.0312  0.139478  
1 1 1 41 5  7  o 10.1689  0.088475  103.432      1.79938  101.795      2.57011  105.006      2.52005  10.0867  0.127401  10.2448  0.122992  
1 1 1 41 5  8  o 8.65359  0.0786873 74.9005      1.36185  74.4385      1.93101  75.3577      1.92094  8.62591  0.111931  8.67905  0.110665  
1 1 1 41 5  9  o 4.618    0.0729644 21.3303      0.6739   20.7242      0.944246 21.9595      0.96208  4.55144  0.10373   4.68515  0.102673  
1 1 1 41 5  10 o 17.1374  0.122575  293.883      4.20123  287.509      5.90131  300.433      5.9824   16.9448  0.174133  17.3217  0.172685  
1 1 1 41 5  11 o 11.7562  0.0980512 138.27       2.30541  139.36       3.51072  137.444      3.05688  11.7989  0.148773  11.7189  0.130426  
1 1 1 41 5  12 o 1.42937  0.229798  2.04878      0.656934 1.09876      0.86462  3.34621      1.01041  1.06788  0.350553  1.82561  0.276733  
1 1 1 41 5  13 o 8.46928  0.0794782 71.7549      1.34625  71.1181      1.84112  72.4867      1.97353  8.43024  0.109197  8.51059  0.115945  
1 1 1 41 5  14 o 7.10724  0.0752457 50.5313      1.06958  52.2795      1.53071  48.8635      1.49514  7.22781  0.105891  6.98763  0.106985  
1 1 1 41 5  15 o 6.62836  0.0774799 43.9544      1.02713  44.7346      1.45893  43.1876      1.44631  6.68544  0.109113  6.56878  0.11009   
1 1 1 41 5  16 o 5.47468  0.0769872 29.9874      0.842961 28.9223      1.16537  31.1563      1.22081  5.37521  0.108402  5.5789   0.109413  
1 1 1 41 5  17 o 3.67376  0.0921134 13.5084      0.676805 14.3961      0.970947 12.6694      0.943918 3.79102  0.128059  3.55619  0.132715  
1 1 1 41 5  18 o 0.898493 0.293144  0.785687     0.604615 -0.227825    0.851681 1.81542      0.858469 0.707355 0.311309  1.31362  0.32752   
1 1 1 41 5  19 o 5.26636  0.0788438 27.7573      0.83044  27.9759      1.19093  27.5504      1.15857  5.2848   0.112675  5.24463  0.110453  
1 1 1 41 5  20 o 11.3876  0.0926428 129.842      2.10996  128.977      3.00969  130.679      2.95884  11.3419  0.13268   11.4172  0.129578  
1 1 1 41 5  21 o 1.22739  0.260079  1.58123      0.618958 1.43         0.871979 1.73482      0.878738 1.17459  0.347297  1.28154  0.337967  
1 1 1 41 5  22 o 1.82251  0.175213  3.34137      0.638652 2.92641      0.874163 3.81642      0.935316 1.69979  0.257138  1.94266  0.240731  
1 1 1 41 5  23 o 2.7448   0.127238  7.56         0.698484 6.90469      0.953693 8.31825      1.02586  2.61849  0.182108  2.87445  0.178445  
1 1 1 41 5  24 o 3.71326  0.104476  13.8258      0.775895 15.2007      1.07794  12.3476      1.1177   3.88954  0.138569  3.50285  0.159542  
1 1 1 41 5  25 o 0.863454 0.315899  0.629641     0.712187 0.698687     1.02814  0.565951     0.987459 0.975028 0.374335  0.929712 0.364739  
1 1 1 41 5  26 f 2.32036  0.162105  5.42995      0.752283 5.75448      1.02281  5.04748      1.11036  2.38085  0.214798  2.22398  0.249632  
1 1 1 41 5  27 o 0.718494 0.306485  0.0261957    0.777626 0.486711     1.18598  -0.321099    1.02992  0.966764 0.392182  0.757233 0.336728  
1 1 1 41 5  28 o 1.89837  0.216963  3.67093      0.823751 5.47144      1.19652  2.04862      1.13577  2.30861  0.259144  1.37074  0.393532  
1 1 1 41 5  29 o 3.13305  0.145983  9.91523      0.914746 8.63522      1.24541  11.4147      1.34796  2.90722  0.214192  3.34664  0.20139   
1 1 1 41 5  30 o 2.05059  0.199595  4.29556      0.818577 3.74663      1.17762  4.80875      1.13865  1.88636  0.312141  2.15238  0.264508  
1 1 1 41 5  31 o 1.84191  0.223744  3.49536      0.824232 4.86968      1.16177  2.1026       1.16954  2.15975  0.26896   1.36632  0.401651  
1 1 1 41 5  32 o 2.3335   0.186938  5.57821      0.872439 5.04069      1.24229  6.1013       1.22551  2.18433  0.284364  2.41643  0.253578  
1 1 1 41 5  33 o 0.540279 0.260719  -1.20129     0.844759 -2.24346     1.20898  -0.207037    1.18086  0.595052 0.292911  0.811536 0.360726  
1 1 1 41 5  34 o 1.75935  0.250744  3.26672      0.882292 3.77972      1.26876  2.78636      1.22775  1.81892  0.361612  1.53755  0.396726  
1 1 1 41 5  35 o 0.819791 0.335829  0.430073     0.878394 1.3378       1.25144  -0.451426    1.23323  1.10945  0.416542  0.774187 0.353703  
1 1 1 41 5  36 o 2.21366  0.212022  5.18379      0.93869  5.61443      1.2952   4.70733      1.36236  2.25226  0.287533  2.0268   0.336087  
1 1 1 41 5  37 o 1.90709  0.24024   3.97252      0.91632  3.96819      1.26184  3.97736      1.33282  1.7915   0.364831  1.77132  0.386902  
1 1 1 41 5  38 o 0.651273 0.304666  -0.514595    0.983626 -2.3406      1.35575  1.51486      1.42928  0.603107 0.298938  1.08217  0.434011  
1 1 1 41 5  39 o 1.48099  0.365869  3.01791      1.07877  3.42094      1.64974  2.71684      1.42586  1.38741  0.483378  1.28012  0.44906   
1 1 1 41 5  40 o 0.694399 0.331018  -0.46162     1.26117  1.04663      2.10895  -1.30126     1.57353  0.940229 0.441052  0.689422 0.337717  
1 1 1 41 5  41 o 0.679451 0.327734  -0.294791    1.33124  1.14131      1.67855  -2.72944     2.18555  0.846262 0.396344  0.663986 0.335689  
1 1 1 41 5  42 o 0.771456 0.353693  1.11242      1.24528  0.206117     1.75138  2.03912      1.77097  0.700555 0.34542   0.835641 0.395552  
1 1 1 41 6  0  o 2.40916  0.172836  5.89556      0.822928 5.89556      0.822928 5.89556      0.822928 2.41879  0.120977  ?        ?         
1 1 1 41 6  1  o 9.67064  0.0793153 93.5378      1.53406  92.1573      2.1269   95.0348      2.21475  9.59818  0.110797  9.74679  0.113614  
1 1 1 41 6  2  f 11.7692  0.0906493 138.547      2.13375  137.491      2.96502  139.683      3.07302  11.7229  0.126462  11.8159  0.130038  
1 1 1 41 6  3  o 23.1734  0.166457  537.438      7.71473  538.475      11.5018  536.59       10.4015  23.1842  0.248053  23.1473  0.224681  
1 1 1 41 6  4  o 12.1799  0.0992095 148.393      2.41672  145.452      3.70346  150.575      3.18939  12.0561  0.153593  12.2678  0.12999   
1 1 1 41 6  5  o 13.1834  0.109716  173.867      2.89286  167.52       4.15655  179.829      4.02869  12.9378  0.160636  13.4054  0.150264  
1 1 1 41 6  6  o 8.73808  0.0801159 76.3699      1.40012  75.5652      1.99266  77.1546      1.96771  8.69099  0.114639  8.78199  0.112031  
1 1 1 41 6  7  o 2.61243  0.113339  6.82783      0.592182 6.85324      0.877985 6.80662      0.802094 2.61659  0.167773  2.60788  0.153783  
1 1 1 41 6  8  o 13.1167  0.102286  172.117      2.68332  171.768      3.93806  172.42       3.6661   13.1004  0.150303  13.126   0.139651  
1 1 1 41 6  9  o 4.17322  0.0778275 17.4203      0.649583 17.1279      0.931398 17.6972      0.90641  4.13746  0.112557  4.20576  0.107758  
1 1 1 41 6  10 o 7.3017   0.0757384 53.329       1.10604  52.1439      1.49916  54.7444      1.63845  7.21925  0.103831  7.39682  0.110754  
1 1 1 41 6  11 o 18.7188  0.134433  350.717      5.03287  344.05       6.99149  357.887      7.25069  18.5318  0.188635  18.9002  0.191815  
1 1 1 41 6  12 o 16.5649  0.122644  274.626      4.06317  272.267      5.64875  277.155      5.84885  16.487   0.171309  16.6336  0.175814  
1 1 1 41 6  13 o 2.62867  0.116949  6.91572      0.614837 7.31575      0.862844 6.50308      0.876336 2.70262  0.159631  2.54777  0.171981  
1 1 1 41 6  14 o 2.80237  0.118387  7.8609       0.663528 7.5014       0.908873 8.27117      0.970941 2.73623  0.166081  2.8731   0.168971  
1 1 1 41 6  15 o 6.5741   0.0745725 43.2377      0.980494 44.5948      1.36588  41.7949      1.40835  6.67515  0.102311  6.46184  0.108974  
1 1 1 41 6  16 o 8.14633  0.079801  66.4028      1.30017  66.1156      1.80687  66.7113      1.87232  8.1264   0.111173  8.16262  0.114689  
1 1 1 41 6  17 o 3.44568  0.0972678 11.8849      0.670309 12.4009      0.955755 11.3854      0.940352 3.51799  0.135838  3.37069  0.13949   
1 1 1 41 6  18 o 4.24826  0.0849014 18.0634      0.721366 18.4073      1.01247  17.7088      1.02804  4.28675  0.118093  4.20438  0.122258  
1 1 1 41 6  19 o 6.58295  0.0774002 43.3714      1.01904  42.395       1.42069  44.406       1.46251  6.50575  0.109187  6.65819  0.109828  
1 1 1 41 6  20 o 8.11257  0.0831823 65.8843      1.34964  63.8276      1.83827  68.2893      1.98786  7.98093  0.115166  8.25437  0.120413  
1 1 1 41 6  21 o 4.72198  0.0846352 22.3257      0.799292 22.6652      1.14966  22.0081      1.11202  4.75455  0.120901  4.68535  0.11867   
1 1 1 41 6  22 o 2.41054  0.138927  5.8333       0.669777 6.28414      0.913938 5.31026      0.984397 2.49844  0.182902  2.29382  0.214576  
1 1 1 41 6  23 o 1.78053  0.179629  3.19327      0.639671 2.75162      0.885056 3.67626      0.925565 1.64555  0.268924  1.90483  0.242952  
1 1 1 41 6  24 o 4.21427  0.0959786 17.8033      0.808959 17.4416      1.09932  18.2305      1.19471  4.16681  0.131914  4.25873  0.140266  
1 1 1 41 6  25 o 2.21307  0.168571  4.9393       0.746117 4.18346      1.04639  5.72106      1.06418  2.02533  0.258325  2.37419  0.224114  
1 1 1 41 6  26 o 4.70373  0.102491  22.2044      0.964185 23.2916      1.36491  21.1214      1.36222  4.80949  0.141898  4.57839  0.148766  
1 1 1 41 6  27 o 2.49305  0.170616  6.2799       0.850709 6.23331      1.30625  6.31422      1.12105  2.46563  0.264891  2.49014  0.225097  
1 1 1 41 6  28 o 4.82315  0.106388  23.3681      1.02625  22.5526      1.41427  24.275       1.49147  4.7277   0.149572  4.90418  0.152061  
1 1 1 41 6  29 o 2.68415  0.167453  7.30561      0.898939 7.24775      1.27956  7.36201      1.26318  2.65412  0.241051  2.67653  0.235974  
1 1 1 41 6  30 o 3.34037  0.13212   11.2688      0.882657 9.61982      1.23757  12.976       1.25924  3.06613  0.201813  3.57066  0.176332  
1 1 1 41 6  31 o 1.10512  0.334424  1.32728      0.802138 1.62403      1.11827  1.01276      1.15124  1.22008  0.398671  1.05869  0.399105  
1 1 1 41 6  32 o 1.24154  0.334367  1.72628      0.848895 1.88702      1.21783  1.57438      1.18393  1.29018  0.415751  1.20104  0.410207  
1 1 1 41 6  33 o 1.235    0.339395  1.7165       0.863793 2.06294      1.21563  1.36317      1.22764  1.33624  0.413186  1.14627  0.415201  
1 1 1 41 6  34 o 1.84623  0.235934  3.58039      0.871178 4.62548      1.25503  2.60853      1.21025  2.06597  0.303738  1.48371  0.399083  
1 1 1 41 6  35 o 0.858273 0.343335  0.581332     0.89117  -0.956966    1.28403  2.01097      1.23785  0.725896 0.341305  1.27907  0.419445  
1 1 1 41 6  36 o 1.89594  0.240635  3.87288      0.912457 6.04004      1.27577  1.6033       1.30556  2.34383  0.272155  1.15543  0.427101  
1 1 1 41 6  37 o 1.15124  0.354968  1.66228      0.898056 0.422545     1.20939  3.18619      1.34085  0.868307 0.376526  1.5329   0.423556  
1 1 1 41 6  38 o 0.667856 0.306987  -0.297202    0.944861 0.727232     1.34133  -1.30622     1.3312   0.92445  0.39864   0.671686 0.324748  
1 1 1 41 6  39 o 0.916812 0.367538  1.08489      1.02436  2.72827      1.5324   -0.242687    1.37732  1.24483  0.462205  0.756855 0.355284  
1 1 1 41 6  40 o 0.704162 0.331875  -0.169808    1.22815  1.15938      1.88251  -1.15478     1.62052  0.912361 0.424732  0.693322 0.340585  
1 1 1 41 6  41 o 0.57349  0.285524  -1.68523     1.29994  -2.24994     1.6235   -0.676371    2.16998  0.605944 0.30473   0.754084 0.374527  
1 1 1 41 7  0  o 23.6253  0.239454  558.807      11.3117  558.807      11.3117  558.807      11.3117  23.6322  0.169251  ?        ?         
1 1 1 41 7  1  o 2.47527  0.118308  6.12956      0.585691 5.60469      0.844926 6.61503      0.812603 2.36629  0.178534  2.571    0.158032  
1 1 1 41 7  2  o 22.2365  0.16375   494.862      7.28243  487.431      10.1536  502.734      10.4506  22.0601  0.230136  22.4032  0.23324   
1 1 1 41 7  3  o 3.90781  0.0828789 15.2742      0.64775  16.1012      0.995789 14.6676      0.852846 4.01168  0.124111  3.82909  0.111364  
1 1 1 41 7  4  o 6.94848  0.0761933 48.2903      1.05886  47.5077      1.59951  48.9008      1.41272  6.89111  0.116056  6.99177  0.101027  
1 1 1 41 7  5  o 11.1956  0.104835  125.387      2.34737  123.435      3.54695  126.908      3.13116  11.1054  0.159694  11.2617  0.139018  
1 1 1 41 7  6  o 6.922    0.0758809 47.9239      1.0505   46.9597      1.48903  48.8793      1.48224  6.85128  0.108668  6.98997  0.106026  
1 1 1 41 7  7  o 7.63276  0.0745552 58.2715      1.13812  57.6928      1.61584  58.8413      1.60333  7.59391  0.10639   7.66919  0.104531  
1 1 1 41 7  8  o 12.4103  0.100617  154.081      2.49737  152.059      3.44661  156.315      3.62368  12.3261  0.139809  12.497   0.144982  
1 1 1 41 7  9  o 7.66578  0.0748459 58.7793      1.1475   58.9415      1.63082  58.6202      1.61493  7.67533  0.106238  7.65441  0.10549   
1 1 1 41 7  10 o 7.68385  0.0734266 59.0575      1.1284   58.4684      1.61453  59.62        1.57771  7.64433  0.105603  7.71939  0.102191  
1 1 1 41 7  11 o 16.425   0.118731  269.989      3.90033  267.111      5.42211  273.076      5.61472  16.3313  0.166004  16.512   0.170019  
1 1 1 41 7  12 o 5.96058  0.0738901 35.5401      0.880856 35.6754      1.23583  35.4003      1.25585  5.97097  0.103486  5.94783  0.105572  
1 1 1 41 7  13 o 4.33899  0.0786052 18.8345      0.682134 18.6219      0.981586 19.033       0.948624 4.31345  0.113782  4.36096  0.108763  
1 1 1 41 7  14 o 5.69799  0.0797944 32.4825      0.909335 32.3342      1.27404  32.6364      1.29829  5.68363  0.11208   5.71005  0.113685  
1 1 1 41 7  15 o 7.53013  0.0758985 56.7312      1.14305  55.9774      1.59692  57.5233      1.63686  7.47809  0.106773  7.58056  0.107964  
1 1 1 41 7  16 o 11.4986  0.0952804 132.343      2.19119  129.853      3.04414  135.019      3.15652  11.3849  0.133693  11.6088  0.135954  
1 1 1 41 7  17 o 5.30326  0.0803246 28.145       0.851964 28.1487      1.20154  28.1412      1.20821  5.30168  0.113317  5.30093  0.113962  
1 1 1 41 7  18 o 1.70184  0.177916  2.90813      0.605571 2.78195      0.839093 3.04529      0.874838 1.66107  0.252576  1.73796  0.251685  
1 1 1 41 7  19 o 7.46297  0.0785114 55.7458      1.17186  55.6311      1.65616  55.8608      1.65836  7.4519   0.111123  7.46728  0.111041  
1 1 1 41 7  20 o 1.4697   0.210163  2.17569      0.617751 1.14048      0.896474 3.11173      0.852451 1.08019  0.356952  1.75545  0.242801  
1 1 1 41 7  21 o 3.6927   0.0954064 13.6594      0.704614 12.541       0.969263 14.9129      1.02612  3.53507  0.137093  3.85529  0.133079  
1 1 1 41 7  22 o 3.77417  0.0991951 14.2735      0.748758 13.7255      1.02084  14.9116      1.10157  3.69752  0.138044  3.85342  0.142934  
1 1 1 41 7  23 o 1.14854  0.276214  1.39602      0.62765  0.0678574    0.858184 2.92351      0.920333 0.766994 0.324357  1.69512  0.271466  
1 1 1 41 7  24 o 2.62457  0.141839  6.92698      0.744535 6.9964       1.02929  6.8508       1.07828  2.63121  0.195593  2.60202  0.2072    
1 1 1 41 7  25 o 3.2332   0.118928  10.4995      0.769038 11.0796      1.05387  9.83869      1.12476  3.31556  0.158927  3.1209   0.180198  
1 1 1 41 7  26 o 1.03872  0.327826  1.11472      0.760095 1.16005      1.07793  1.06988      1.07196  1.10472  0.390155  1.07916  0.38827   
1 1 1 41 7  27 o 2.18069  0.197862  4.82504      0.862951 3.39255      1.22384  6.24154      1.21699  1.77138  0.357972  2.47026  0.246327  
1 1 1 41 7  28 f 2.66197  0.154038  7.15497      0.820091 7.91819      1.15981  6.39184      1.15975  2.78906  0.207922  2.5005   0.231904  
1 1 1 41 7  29 o 2.31744  0.177197  5.45593      0.821285 5.71834      1.19367  5.22004      1.13175  2.35329  0.253617  2.24898  0.251614  
1 1 1 41 7  30 o 2.35007  0.18513   5.63268      0.870138 4.424        1.20651  6.94279      1.25611  2.05239  0.293928  2.59101  0.242398  
1 1 1 41 7  31 o 1.01877  0.342649  1.07618      0.82607  0.889019     1.14762  1.27743      1.19001  1.02532  0.395051  1.13069  0.408864  
1 1 1 41 7  32 o 1.23472  0.333201  1.7086       0.841932 3.24855      1.21553  0.288472     1.16728  1.69067  0.369656  0.89464  0.378309  
1 1 1 41 7  33 o 0.63975  0.292355  -0.456852    0.84312  -0.0105961   1.18647  -0.912068    1.19832  0.842606 0.369151  0.717106 0.335681  
1 1 1 41 7  34 o 0.593402 0.278633  -0.752235    0.849241 -1.16123     1.20839  -0.35309     1.19376  0.686449 0.325785  0.782601 0.354623  
1 1 1 41 7  35 o 1.08511  0.353785  1.36742      0.880638 2.56268      1.26524  0.244272     1.22648  1.42925  0.416998  0.873053 0.37889   
1 1 1 41 7  36 o 0.704402 0.312003  -0.0473551   0.873146 0.010992     1.20968  -0.110817    1.26159  0.818329 0.364384  0.814066 0.366943  
1 1 1 41 7  37 o 0.859761 0.34661   0.695025     0.918314 -0.184644    1.23639  1.7774       1.37147  0.775779 0.354317  1.14811  0.434786  
1 1 1 41 7  38 f 1.52718  0.340191  2.97132      1.0121   2.26287      1.48287  3.58915      1.3848   1.21359  0.453862  1.57653  0.428174  
1 1 1 41 7  39 o 1.05012  0.385013  1.63758      1.0584   2.62953      1.57617  0.82298      1.42833  1.20489  0.463235  0.894285 0.397206  
1 1 1 41 7  40 o 0.632905 0.306486  -0.721282    1.20384  1.99627      1.79377  -2.94834     1.62385  0.979012 0.439604  0.585882 0.29549   
1 1 1 41 7  41 o 0.724652 0.345961  0.0904311    1.391    2.65548      1.90186  -2.85994     2.03972  1.00129  0.450978  0.641632 0.324386  
1 1 1 41 8  0  o 16.8581  0.179457  284.438      6.04908  284.438      6.04908  284.438      6.04908  16.8617  0.126852  ?        ?         
1 1 1 41 8  1  o 4.19003  0.0856711 17.5604      0.717928 16.3338      1.05385  18.6227      0.980698 4.04041  0.130414  4.31451  0.113651  
1 1 1 41 8  2  o 9.88744  0.08229   97.783       1.62728  96.8661      2.39102  98.5742      2.221    9.8397   0.121499  9.92643  0.111873  
1 1 1 41 8  3  o 3.94183  0.0829234 15.5416      0.65374  15.9974      0.976903 15.1719      0.879765 3.99868  0.122153  3.89428  0.112956  
1 1 1 41 8  4  o 5.64073  0.07177   31.8235      0.80967  31.7207      1.17106  31.9176      1.1207   5.63105  0.103982  5.6486   0.0992012 
1 1 1 41 8  5  o 14.0221  0.109808  196.708      3.07948  194.985      4.27578  198.565      4.43888  13.9576  0.15317   14.0848  0.157577  
1 1 1 41 8  6  o 4.63076  0.0742954 21.4486      0.688088 21.9014      0.957746 20.9655      0.989224 4.67892  0.102347  4.57775  0.108047  
1 1 1 41 8  7  o 8.07995  0.0764503 65.3019      1.23543  66.0519      1.70627  64.4754      1.79114  8.12529  0.104998  8.02749  0.111563  
1 1 1 41 8  8  o 6.89822  0.0721684 47.5968      0.995667 47.0522      1.36141  48.223       1.45991  6.85789  0.099259  6.9425   0.105143  
1 1 1 41 8  9  o 7.76496  0.0762191 60.312       1.18368  61.015       1.69957  59.6498      1.64949  7.80892  0.108823  7.72114  0.106817  
1 1 1 41 8  10 o 6.14729  0.074155  37.8004      0.911705 38.8055      1.33455  36.9209      1.24844  6.22749  0.10715   6.07454  0.10276   
1 1 1 41 8  11 o 5.17157  0.0756865 26.7541      0.782837 27.1067      1.13631  26.4355      1.08003  5.2046   0.109164  5.13989  0.105064  
1 1 1 41 8  12 o 5.04615  0.0748262 25.4727      0.755168 26.0489      1.06432  24.8885      1.07165  5.10202  0.104304  4.98697  0.107445  
1 1 1 41 8  13 o 4.8507   0.078182  23.5396      0.758475 24.0847      1.10992  23.062       1.03889  4.90535  0.113133  4.80026  0.108212  
1 1 1 41 8  14 o 14.6523  0.1172    214.93       3.43452  213.507      4.75075  216.488      4.97102  14.5961  0.162741  14.6963  0.169125  
1 1 1 41 8  15 o 7.0147   0.076951  49.2342      1.07958  48.895       1.47543  49.6251      1.58383  6.98875  0.105558  7.04023  0.112484  
1 1 1 41 8  16 o 3.35109  0.0970409 11.2413      0.650386 11.6969      0.92635  10.7983      0.913357 3.41668  0.135563  3.28264  0.139119  
1 1 1 41 8  17 o 3.18398  0.104391  10.151       0.664756 10.5003      0.942599 9.80543      0.937634 3.23628  0.14563   3.12713  0.149919  
1 1 1 41 8  18 o 3.09416  0.105652  9.58853      0.65381  9.79925      0.890072 9.34158      0.963546 3.126    0.142366  3.05115  0.157899  
1 1 1 41 8  19 f 4.68904  0.0827299 22.01        0.775847 22.3343      1.07723  21.6605      1.11835  4.72119  0.114085  4.64891  0.120281  
1 1 1 41 8  20 o 4.96902  0.082757  24.7207      0.822442 25.8772      1.20078  23.6988      1.12877  5.08071  0.118171  4.86237  0.116072  
1 1 1 41 8  21 o 4.40069  0.0883636 19.3961      0.777723 19.5402      1.07331  19.2367      1.12849  4.41399  0.121581  4.37879  0.128859  
1 1 1 41 8  22 o 2.88984  0.114363  8.37488      0.660983 7.77358      0.907648 9.05384      0.964481 2.78014  0.163238  3.00062  0.160714  
1 1 1 41 8  23 f 5.65909  0.0856233 32.0844      0.969099 33.1919      1.35302  30.9176      1.38871  5.75127  0.117628  5.54947  0.125121  
1 1 1 41 8  24 o 4.30025  0.100958  18.5467      0.868288 18.0252      1.25414  19.0267      1.20332  4.23229  0.148164  4.35003  0.138312  
1 1 1 41 8  25 o 2.37208  0.156301  5.67116      0.741513 6.565        1.02243  4.67934      1.07701  2.54545  0.200836  2.14109  0.25151   
1 1 1 41 8  26 o 3.97309  0.11427   15.8596      0.90801  13.3101      1.30813  18.2301      1.26139  3.62701  0.180331  4.25276  0.148302  
1 1 1 41 8  27 o 1.89136  0.21718   3.64364      0.821533 4.13744      1.1414   3.11284      1.18338  2.00233  0.285018  1.69213  0.360396  
1 1 1 41 8  28 o 5.45938  0.100874  29.9424      1.10142  30.0445      1.52278  29.8305      1.59502  5.45722  0.13952   5.43522  0.14673   
1 1 1 41 8  29 o 2.76585  0.150754  7.74126      0.833924 8.63281      1.20431  6.91999      1.15587  2.90547  0.207249  2.59692  0.222547  
1 1 1 41 8  30 o 2.16036  0.196738  4.77441      0.85005  4.91772      1.19115  4.62567      1.21347  2.16953  0.274518  2.09924  0.289025  
1 1 1 41 8  31 o 1.65785  0.246988  2.86093      0.818939 2.4943       1.16226  3.22243      1.15409  1.47892  0.388069  1.70005  0.351377  
1 1 1 41 8  32 o 1.13832  0.343904  1.43926      0.848725 1.19327      1.19848  1.68674      1.20209  1.10079  0.408749  1.23084  0.413341  
1 1 1 41 8  33 o 2.14602  0.205061  4.77465      0.880127 5.30275      1.25887  4.26969      1.23097  2.22658  0.282692  1.98487  0.310088  
1 1 1 41 8  34 o 0.735679 0.317052  0.0901885    0.847513 -0.109286    1.21221  0.28093      1.18537  0.821359 0.365276  0.879342 0.376852  
1 1 1 41 8  35 o 1.12599  0.352952  1.49549      0.883002 1.40842      1.23924  1.58528      1.25849  1.11437  0.415273  1.15926  0.420338  
1 1 1 41 8  36 o 1.31716  0.329334  2.08472      0.866149 2.10063      1.20217  2.06755      1.24901  1.27282  0.413357  1.25957  0.421331  
1 1 1 41 8  37 o 2.38675  0.206342  6.14616      0.984974 5.46762      1.36563  6.88187      1.42201  2.14624  0.318145  2.43886  0.291531  
1 1 1 41 8  38 o 0.782821 0.338815  0.40063      0.975773 1.49654      1.37545  -0.709741    1.3845   1.03984  0.422148  0.727369 0.346756  
1 1 1 41 8  39 o 2.18594  0.257878  5.66275      1.12741  4.46056      1.69818  6.61023      1.50759  1.57533  0.488607  2.24478  0.335798  
1 1 1 41 8  40 o 1.07637  0.412939  2.24211      1.25039  4.2452       1.80619  0.398634     1.73273  1.30821  0.497918  0.800119 0.382976  
1 1 1 41 8  41 o 0.795804 0.362665  0.904324     1.28261  2.71639      1.9539   -0.467757    1.70022  0.973368 0.444916  0.703143 0.346356  
1 1 1 41 9  0  o 13.9527  0.156227  194.834      4.35834  194.834      4.35834  194.834      4.35834  13.9555  0.110431  ?        ?         
1 1 1 41 9  1  o 3.24322  0.0989622 10.5221      0.641912 10.1368      0.894643 10.931       0.921557 3.18271  0.140547  3.30506  0.139416  
1 1 1 41 9  2  o 10.1419  0.0854939 102.885      1.73414  101.364      2.3909   104.573      2.51898  10.0654  0.118769  10.2233  0.123198  
1 1 1 41 9  3  o 5.88347  0.0712647 34.6217      0.838567 35.7622      1.20292  33.5436      1.16961  5.97901  0.100595  5.79057  0.100992  
1 1 1 41 9  4  o 7.29284  0.0746097 53.197       1.08823  52.5608      1.63535  53.7026      1.45788  7.24807  0.112813  7.32678  0.0994896 
1 1 1 41 9  5  o 4.53176  0.076253  20.5417      0.69112  19.9858      0.961059 21.1372      0.994586 4.46947  0.107514  4.5964   0.108192  
1 1 1 41 9  6  o 9.57954  0.0782803 91.7923      1.49978  89.7219      2.06776  94.0907      2.17859  9.46964  0.109178  9.6973   0.11233   
1 1 1 41 9  7  o 2.41751  0.108067  5.84752      0.522505 6.5112       0.733989 5.16565      0.743981 2.55047  0.143893  2.27138  0.163773  
1 1 1 41 9  8  f 6.9598   0.0709287 48.4509      0.987298 48.1702      1.39286  48.7343      1.39967  6.93874  0.100368  6.97924  0.100273  
1 1 1 41 9  9  f 4.74577  0.0721864 22.5286      0.68516  23.175       0.971996 21.8902      0.965956 4.81274  0.100982  4.67737  0.103259  
1 1 1 41 9  10 o 3.5595   0.0883492 12.6757      0.628958 14.0443      0.902219 11.3818      0.877268 3.74601  0.120424  3.37205  0.130079  
1 1 1 41 9  11 o 5.51383  0.0769908 30.4136      0.849028 31.1447      1.18392  29.6395      1.21823  5.57875  0.10611   5.44207  0.111927  
1 1 1 41 9  12 o 2.70723  0.111993  7.33541      0.60638  7.77471      0.853204 6.88705      0.861964 2.78604  0.153121  2.62185  0.164381  
1 1 1 41 9  13 o 6.1482   0.0738621 37.8163      0.908238 37.948       1.30405  37.6923      1.26569  6.15749  0.105891  6.13685  0.103122  
1 1 1 41 9  14 o 8.49021  0.0791442 72.1244      1.3439   71.586       1.93568  72.6254      1.86729  8.45586  0.114458  8.51744  0.109616  
1 1 1 41 9  15 o 6.34734  0.0773727 40.314       0.982222 39.5924      1.34719  41.1328      1.43512  6.2885   0.107115  6.40931  0.111956  
1 1 1 41 9  16 o 6.05678  0.0753287 36.7082      0.912498 37.1427      1.30792  36.2961      1.27369  6.09048  0.107374  6.02078  0.105774  
1 1 1 41 9  17 o 3.03346  0.106725  9.21543      0.647491 9.72237      0.931128 8.74077      0.900995 3.11357  0.149528  2.95203  0.152606  
1 1 1 41 9  18 o 0.908991 0.289591  0.821167     0.592104 1.23472      0.834364 0.401612     0.840392 1.10329  0.342547  0.845557 0.334991  
1 1 1 41 9  19 o 4.44483  0.0862009 19.7803      0.766296 19.6689      1.05561  19.9044      1.11417  4.42982  0.119148  4.45574  0.125027  
1 1 1 41 9  20 o 7.40321  0.0823686 54.8762      1.21958  55.2961      1.72317  54.4548      1.72633  7.42688  0.116009  7.36999  0.117119  
1 1 1 41 9  21 f 1.43068  0.220526  2.06726      0.631005 2.90734      0.853657 1.05537      0.93689  1.69416  0.251941  1.05854  0.364704  
1 1 1 41 9  22 o 1.12919  0.277048  1.34866      0.621817 0.823362     0.848375 1.95845      0.914057 0.965435 0.345605  1.35552  0.337953  
1 1 1 41 9  23 o 5.53936  0.0884841 30.7491      0.98029  31.138       1.38106  30.3543      1.39167  5.56872  0.124002  5.49772  0.126568  
1 1 1 41 9  24 o 4.59341  0.0925248 21.1537      0.850009 19.8858      1.16885  22.5769      1.23835  4.44785  0.131395  4.7394   0.130644  
1 1 1 41 9  25 o 2.06551  0.179495  4.31331      0.741496 4.86343      1.01709  3.68924      1.0833   2.18499  0.232746  1.8942   0.285953  
1 1 1 41 9  26 o 1.04641  0.326418  1.13643      0.756453 0.534991     1.08361  1.70813      1.05648  0.947296 0.378741  1.26537  0.383975  
1 1 1 41 9  27 o 3.79514  0.119949  14.4858      0.910442 16.0462      1.25814  12.7703      1.31914  3.98589  0.157824  3.54904  0.185845  
1 1 1 41 9  28 o 2.83421  0.149436  8.12198      0.847065 8.72741      1.20092  7.52253      1.19496  2.92392  0.205361  2.71039  0.220441  
1 1 1 41 9  29 o 4.28945  0.114564  18.5338      0.982832 19.8806      1.43462  17.3428      1.34918  4.42638  0.162054  4.1338   0.163189  
1 1 1 41 9  30 o 2.78798  0.158693  7.89258      0.884865 7.21711      1.24769  8.57612      1.25512  2.64144  0.236176  2.88676  0.217392  
1 1 1 41 9  31 o 3.42287  0.134301  11.866       0.919386 11.9131      1.2789   11.8155      1.32261  3.40933  0.187559  3.39201  0.19496   
1 1 1 41 9  32 o 0.85224  0.334964  0.543729     0.83408  1.55419      1.17184  -0.493837    1.18745  1.19137  0.408108  0.770968 0.350704  
1 1 1 41 9  33 o 3.34278  0.143966  11.3782      0.962495 11.1876      1.35902  11.5701      1.36334  3.28334  0.206957  3.3407   0.204049  
1 1 1 41 9  34 o 1.0831   0.348688  1.34331      0.856782 1.97194      1.22457  0.740468     1.19918  1.27386  0.417188  0.967103 0.393649  
1 1 1 41 9  35 o 1.42409  0.317956  2.35817      0.882446 2.62138      1.24246  2.09024      1.25355  1.4411   0.410915  1.288    0.422098  
1 1 1 41 9  36 o 1.35561  0.337695  2.23924      0.913236 3.1616       1.27051  1.25328      1.31358  1.55942  0.404145  1.05372  0.418387  
1 1 1 41 9  37 o 0.74005  0.325709  0.140859     0.93236  0.396172     1.33521  -0.102101    1.30251  0.876783 0.387412  0.798748 0.364399  
1 1 1 41 9  38 o 0.718737 0.32172   0.114691     0.954079 0.475242     1.40775  -0.191605    1.29752  0.861507 0.388011  0.756467 0.352336  
1 1 1 41 9  39 o 1.08312  0.38595   1.79885      1.05692  1.34371      1.58917  2.15985      1.41533  0.966249 0.425246  1.11626  0.436924  
1 1 1 41 9  40 o 0.766089 0.351238  0.573235     1.22812  0.297568     1.78557  0.820725     1.69185  0.783182 0.37821   0.822634 0.38824   
1 1 1 41 9  41 o 0.563674 0.279936  -1.17245     1.21114  -1.86717     1.80563  -0.604239    1.63297  0.617507 0.311441  0.659795 0.32729   
1 1 1 41 10 0  o 1.8229   0.210601  3.45689      0.744522 3.45689      0.744522 3.45689      0.744522 1.84197  0.144971  ?        ?         
1 1 1 41 10 1  o 8.79632  0.0773894 77.3937      1.36148  74.9438      1.9127   79.9099      1.93841  8.65489  0.110498  8.93713  0.108447  
1 1 1 41 10 2  o 3.20526  0.0955259 10.2775      0.61237  10.1725      0.890227 10.3718      0.84369  3.18816  0.139615  3.21939  0.131032  
1 1 1 41 10 3  o 4.98064  0.0762347 24.8128      0.759395 25.9837      1.05662  23.5618      1.09215  5.09626  0.103666  4.85275  0.112529  
1 1 1 41 10 4  o 4.01285  0.079074  16.1074      0.634624 14.9526      0.881747 17.3485      0.914116 3.86574  0.114046  4.16404  0.109763  
1 1 1 41 10 5  o 11.9356  0.093534  142.516      2.23278  140.203      3.1242   144.931      3.19214  11.836   0.131979  12.0339  0.132632  
1 1 1 41 10 6  o 1.594    0.15962   2.54393      0.508867 2.54786      0.718387 2.53996      0.720914 1.59426  0.225304  1.59177  0.226451  
1 1 1 41 10 7  o 2.36937  0.108665  5.61724      0.514936 5.81656      0.733258 5.4233       0.723302 2.41035  0.152106  2.32738  0.15539   
1 1 1 41 10 8  o 2.98058  0.0898153 8.88771      0.535403 7.68255      0.745665 10.1703      0.769233 2.7704   0.134577  3.18784  0.120651  
1 1 1 41 10 9  o 4.6079   0.0741632 21.2395      0.683474 20.0053      0.953356 22.5446      0.980366 4.47126  0.106609  4.74666  0.103269  
1 1 1 41 10 10 o 7.39659  0.0754506 54.7289      1.11615  56.4225      1.62754  53.2251      1.53361  7.50874  0.108376  7.29303  0.105142  
1 1 1 41 10 11 o 7.44933  0.0785477 55.5157      1.17026  56.2452      1.67375  54.818       1.63685  7.49648  0.111636  7.40082  0.110586  
1 1 1 41 10 12 o 4.24579  0.0845297 18.0364      0.71779  18.8928      1.02856  17.2233      1.00217  4.34428  0.118381  4.14779  0.120808  
1 1 1 41 10 13 o 6.88264  0.0778657 47.3953      1.07184  47.4708      1.50214  47.317       1.52987  6.88638  0.109066  6.87508  0.111262  
1 1 1 41 10 14 o 3.1531   0.0988354 9.95187      0.623275 11.2605      0.884248 8.65972      0.878667 3.35274  0.13187   2.93945  0.149461  
1 1 1 41 10 15 o 3.559    0.0949943 12.6791      0.67617  12.4118      0.93533  12.9716      0.978637 3.51963  0.132873  3.59795  0.135999  
1 1 1 41 10 16 o 4.22657  0.08445   17.8795      0.713869 17.962       0.987939 17.7892      1.03267  4.23464  0.11665   4.21386  0.122533  
1 1 1 41 10 17 o 5.76558  0.0759133 33.2684      0.875369 32.1573      1.23083  34.4057      1.24522  5.66611  0.108613  5.86106  0.106228  
1 1 1 41 10 18 o 7.8974   0.0819513 62.4324      1.2944   60.4237      1.82136  64.4823      1.8399   7.76507  0.117279  8.02199  0.114679  
1 1 1 41 10 19 o 4.55441  0.083941  20.768       0.764604 20.3251      1.04485  21.2787      1.12189  4.50304  0.116016  4.60692  0.121761  
1 1 1 41 10 20 o 5.93865  0.0823675 35.3144      0.978304 35.845       1.36254  34.7499      1.40552  5.97949  0.113934  5.88671  0.119381  
1 1 1 41 10 21 f 2.29774  0.140015  5.30163      0.64344  4.78973      0.872747 5.91121      0.952381 2.17935  0.200231  2.42145  0.196655  
1 1 1 41 10 22 o 3.34553  0.107795  11.2243      0.721266 12.0606      0.996851 10.3055      1.04489  3.46411  0.143883  3.19984  0.163272  
1 1 1 41 10 23 o 0.925112 0.308061  0.837354     0.667714 0.779697     0.931581 0.898268     0.957534 0.971318 0.360432  1.01169  0.366668  
1 1 1 41 10 24 o 2.99885  0.124532  9.03685      0.746905 8.43432      1.00814  9.76999      1.11206  2.89033  0.174398  3.11003  0.178786  
1 1 1 41 10 25 o 3.67736  0.112361  13.5847      0.826382 13.4347      1.1754   13.7313      1.16208  3.64818  0.161093  3.68899  0.157506  
1 1 1 41 10 26 o 4.63549  0.101698  21.5711      0.942839 21.859       1.33708  21.2864      1.3297   4.65731  0.143547  4.59563  0.14467   
1 1 1 41 10 27 o 3.27645  0.133985  10.8134      0.877989 9.89839      1.17555  11.9678      1.32035  3.1235   0.188179  3.43344  0.192278  
1 1 1 41 10 28 o 1.92334  0.215929  3.78635      0.830609 4.27258      1.1839   3.31502      1.16563  2.02382  0.292491  1.74259  0.34676   
1 1 1 41 10 29 o 4.86193  0.109606  23.802       1.06579  25.9869      1.51816  21.6788      1.49659  5.06495  0.14987   4.62115  0.161928  
1 1 1 41 10 30 o 2.24223  0.194412  5.14803      0.871833 6.53662      1.25878  3.86781      1.20866  2.50663  0.25109   1.90635  0.31701   
1 1 1 41 10 31 o 2.80121  0.154775  7.98689      0.867118 8.39103      1.22152  7.57637      1.23112  2.84851  0.214413  2.70092  0.227907  
1 1 1 41 10 32 o 2.13408  0.204157  4.70346      0.871374 3.98329      1.22188  5.44875      1.24301  1.9209   0.31805   2.26827  0.273999  
1 1 1 41 10 33 o 0.761867 0.323366  0.170955     0.85805  0.864828     1.229    -0.488919    1.19851  1.01561  0.40424   0.767984 0.350145  
1 1 1 41 10 34 o 0.747117 0.320038  0.15524      0.854215 -0.641357    1.21535  0.932964     1.20087  0.741203 0.343591  1.00503  0.399726  
1 1 1 41 10 35 o 2.62238  0.175192  7.15853      0.918841 5.97472      1.27883  8.42186      1.32108  2.32953  0.274482  2.79947  0.235952  
1 1 1 41 10 36 o 2.79846  0.174319  8.22952      0.975649 8.72737      1.33005  7.64957      1.43554  2.82522  0.235389  2.60405  0.275635  
1 1 1 41 10 37 o 1.50915  0.318289  2.78745      0.930728 1.27795      1.30688  4.34102      1.32582  1.02504  0.413386  1.83279  0.374636  
1 1 1 41 10 38 o 1.5018   0.347882  3.03013      1.02523  5.37434      1.58476  1.34287      1.34448  1.89845  0.427651  0.984823 0.410646  
1 1 1 41 10 39 f 1.06751  0.384467  1.80853      1.0513   -1.05656     1.57329  4.11989      1.4131   0.699551 0.341532  1.5788   0.434195  
1 1 1 41 10 40 o 0.677632 0.324271  -0.180883    1.24038  -1.6545      1.76486  1.25754      1.74366  0.656459 0.327647  0.860695 0.403257  
1 1 1 41 10 41 o 0.652958 0.315172  0.0543721    1.23636  -1.51955     1.86753  1.28245      1.64963  0.624509 0.315126  0.775719 0.37187   
1 1 1 41 11 0  o 21.7098  0.216533  471.948      9.39969  471.948      9.39969  471.948      9.39969  21.717   0.153044  ?        ?         
1 1 1 41 11 1  f 11.2554  0.0914732 126.73       2.05912  124.205      2.80153  129.697      3.03676  11.1407  0.125733  11.3839  0.13338   
1 1 1 41 11 2  o 3.2775   0.0899824 10.7459      0.589835 10.5874      0.826877 10.9102      0.841624 3.25263  0.127109  3.30183  0.127448  
1 1 1 41 11 3  o 10.5677  0.0866623 111.714      1.83164  107.574      2.55298  116.105      2.62935  10.3682  0.123117  10.7715  0.122052  
1 1 1 41 11 4  o 14.8236  0.110322  219.865      3.27071  219.261      4.57172  220.499      4.6812   14.799   0.15446   14.8404  0.157718  
1 1 1 41 11 5  o 11.4791  0.0911398 131.823      2.0924   132.022      2.97567  131.629      2.94281  11.4853  0.129542  11.4683  0.128302  
1 1 1 41 11 6  o 3.06705  0.0879404 9.41055      0.539434 9.38962      0.756745 9.43217      0.769158 3.06304  0.123528  3.06994  0.125273  
1 1 1 41 11 7  o 16.141   0.115942  260.724      3.74284  255.984      5.27994  265.512      5.30651  15.9876  0.165126  16.2827  0.162949  
1 1 1 41 11 8  o 8.0004   0.0731435 64.0263      1.17035  62.1994      1.65761  65.8424      1.65267  7.88413  0.105123  8.11189  0.101867  
1 1 1 41 11 9  o 2.59776  0.104412  6.75293      0.542473 6.70187      0.771473 6.80288      0.762944 2.587    0.149106  2.60649  0.146355  
1 1 1 41 11 10 o 12.845   0.0962456 165.096      2.47255  163.083      3.40434  167.344      3.59703  12.7627  0.133371  12.9276  0.139122  
1 1 1 41 11 11 o 5.7004   0.0776932 32.5091      0.885765 32.7589      1.2562   32.262       1.24915  5.72097  0.109789  5.67741  0.11001   
1 1 1 41 11 12 o 3.17448  0.0986591 10.0854      0.626382 10.1252      0.900063 10.048       0.872267 3.17937  0.141548  3.16736  0.137696  
1 1 1 41 11 13 f 8.14268  0.0796004 66.3436      1.29632  65.0069      1.80676  67.7617      1.86099  8.05784  0.112112  8.22671  0.113107  
1 1 1 41 11 14 o 10.0014  0.0894938 100.114      1.79013  103.577      2.54453  96.7199      2.51891  10.1688  0.125115  9.82602  0.128175  
1 1 1 41 11 15 o 4.86414  0.0785456 23.6768      0.764115 24.1984      1.08716  23.1677      1.0742   4.91568  0.110581  4.80978  0.111668  
1 1 1 41 11 16 o 0.828267 0.290629  0.612475     0.59727  0.388202     0.830897 0.852257     0.859145 0.839114 0.332887  0.982345 0.348178  
1 1 1 41 11 17 o 2.57837  0.119091  6.66172      0.614121 6.56602      0.870937 6.75634      0.86608  2.557    0.170304  2.59401  0.166939  
1 1 1 41 11 18 o 5.50944  0.0837366 30.3885      0.922684 31.4979      1.32977  29.3586      1.28132  5.60584  0.118606  5.41214  0.118375  
1 1 1 41 11 19 o 2.88915  0.112193  8.36654      0.648288 7.88317      0.870951 8.96706      0.970787 2.80146  0.155446  2.98723  0.162489  
1 1 1 41 11 20 o 5.17876  0.0821647 26.8565      0.851023 26.619       1.18212  27.1119      1.22614  5.1525   0.114713  5.19959  0.117908  
1 1 1 41 11 21 o 4.66703  0.0864249 21.8179      0.806696 22.6066      1.14503  21.0406      1.13669  4.74689  0.120609  4.57909  0.124118  
1 1 1 41 11 22 o 1.7127   0.192372  2.96175      0.658949 3.33321      0.908636 2.54965      0.957037 1.81095  0.250873  1.54921  0.319789  
1 1 1 41 11 23 o 1.69245  0.191364  2.8953       0.647751 2.93937      0.879451 2.84304      0.957653 1.69787  0.258987  1.63974  0.303431  
1 1 1 41 11 24 o 3.68839  0.109141  13.6576      0.805109 13.2998      1.10338  14.0651      1.17741  3.63292  0.151859  3.73488  0.157624  
1 1 1 41 11 25 o 5.58793  0.0930383 31.3219      1.03978  29.9998      1.46216  32.6746      1.47893  5.45952  0.133909  5.69883  0.129758  
1 1 1 41 11 26 o 2.77611  0.148229  7.77368      0.822999 7.94531      1.14468  7.59003      1.18412  2.7957   0.204721  2.72976  0.216891  
1 1 1 41 11 27 o 3.3266   0.127717  11.1483      0.849724 11.6111      1.13764  10.5644      1.27795  3.38583  0.168     3.22158  0.198342  
1 1 1 41 11 28 o 3.12205  0.135379  9.84061      0.845322 10.6444      1.17951  8.9918       1.21209  3.23452  0.182332  2.96636  0.204306  
1 1 1 41 11 29 o 4.88159  0.111545  24.0049      1.08904  25.8371      1.61419  22.4742      1.47541  5.04504  0.159978  4.70668  0.156736  
1 1 1 41 11 30 o 2.31275  0.182957  5.46735      0.846269 4.57237      1.20048  6.35144      1.19316  2.0816   0.288355  2.47286  0.241251  
1 1 1 41 11 31 o 0.739559 0.317441  0.0636207    0.843383 0.0187137    1.19967  0.107503     1.1859   0.855564 0.373039  0.866592 0.374275  
1 1 1 41 11 32 o 1.33491  0.3243    2.01041      0.858486 1.66632      1.20944  2.35983      1.21878  1.217    0.414604  1.41546  0.40808   
1 1 1 41 11 33 o 0.699816 0.309218  -0.103373    0.850618 0.583858     1.21045  -0.773837    1.1956   0.947105 0.391942  0.725745 0.338099  
1 1 1 41 11 34 o 1.12384  0.352156  1.48505      0.879123 2.63969      1.21779  0.228429     1.27042  1.45785  0.403986  0.881197 0.384052  
1 1 1 41 11 35 o 1.77566  0.24318   3.4174       0.863611 2.96984      1.22158  3.8646       1.22108  1.53343  0.39576   1.79562  0.352585  
1 1 1 41 11 36 f 1.19597  0.362787  1.83703      0.943213 0.912673     1.30998  2.83213      1.35919  0.966049 0.404242  1.41562  0.436736  
1 1 1 41 11 37 o 0.801376 0.33629   0.513411     0.910811 -0.174967    1.29291  1.19159      1.2833   0.775062 0.357407  0.992867 0.406189  
1 1 1 41 11 38 o 1.83371  0.281075  4.08533      1.03082  3.89376      1.50054  4.25654      1.41851  1.53225  0.456144  1.66986  0.423846  
1 1 1 41 11 39 o 0.865874 0.363638  1.10013      1.06634  -0.405052    1.69582  2.08449      1.3714   0.746408 0.362097  1.04238  0.422191  
1 1 1 41 11 40 o 0.705955 0.331363  0.111218     1.19717  -0.642802    1.75083  0.773313     1.64064  0.716651 0.352678  0.818115 0.384995  
1 1 1 41 12 0  o 3.14344  0.130127  9.93596      0.814907 9.93596      0.814907 9.93596      0.814907 3.14782  0.091704  ?        ?         
1 1 1 41 12 1  o 12.4086  0.0959857 154.043      2.3821   152.973      3.36062  155.124      3.37705  12.3627  0.135918  12.4493  0.135632  
1 1 1 41 12 2  o 9.76121  0.0869006 95.3167      1.69651  93.4532      2.4366   97.07        2.36352  9.66334  0.126075  9.84892  0.119989  
1 1 1 41 12 3  o 8.13666  0.0730519 66.223       1.1888   64.7463      1.69267  67.6604      1.66999  8.04427  0.105209  8.22346  0.101538  
1 1 1 41 12 4  o 6.77592  0.0683153 45.9242      0.925798 44.6354      1.33166  47.1299      1.28799  6.67926  0.0996862 6.86356  0.0938279 
1 1 1 41 12 5  o 12.1887  0.0910372 148.63       2.21925  147.447      3.20039  149.727      3.08005  12.1371  0.131843  12.2311  0.125911  
1 1 1 41 12 6  o 7.40274  0.0735399 54.8173      1.08879  54.201       1.48816  55.5271      1.59719  7.36002  0.101097  7.44925  0.107205  
1 1 1 41 12 7  o 6.13177  0.0774808 37.612       0.950189 40.2881      1.37331  35.1544      1.31606  6.34509  0.108218  5.92695  0.111023  
1 1 1 41 12 8  o 3.24539  0.0865249 10.5375      0.561614 10.5986      0.798755 10.4777      0.789805 3.254    0.122734  3.2354   0.122057  
1 1 1 41 12 9  o 10.1125  0.0872793 102.315      1.76522  103.957      2.55908  100.824      2.4381   10.1905  0.125562  10.0361  0.121467  
1 1 1 41 12 10 o 5.71994  0.0706596 32.7297      0.808338 31.8417      1.13573  33.6413      1.15075  5.64073  0.100672  5.798    0.0992365 
1 1 1 41 12 11 o 6.6397   0.076927  44.1068      1.02154  43.6395      1.43885  44.5818      1.45058  6.60281  0.108957  6.67374  0.108679  
1 1 1 41 12 12 o 6.46073  0.0726092 41.7616      0.938217 41.9699      1.35208  41.5681      1.30296  6.47514  0.104406  6.44427  0.101094  
1 1 1 41 12 13 f 1.34066  0.207324  1.80548      0.5559   2.32374      0.792223 1.30279      0.780236 1.49509  0.275254  1.12427  0.327283  
1 1 1 41 12 14 o 8.3234   0.0824166 69.332       1.37197  68.1754      1.98095  70.3982      1.90198  8.25012  0.120056  8.38427  0.113425  
1 1 1 41 12 15 o 2.89334  0.105332  8.38309      0.60952  8.70115      0.868722 8.0747       0.855416 2.94574  0.147454  2.83754  0.150732  
1 1 1 41 12 16 o 6.17311  0.0820208 38.1432      1.01265  38.9177      1.37177  37.2159      1.50116  6.23309  0.110039  6.09397  0.123168  
1 1 1 41 12 17 o 6.3373   0.0796877 40.2006      1.01001  41.1687      1.46954  39.3339      1.39047  6.40973  0.114634  6.26567  0.110959  
1 1 1 41 12 18 o 5.08433  0.0801773 25.8795      0.815297 26.1275      1.13772  25.6177      1.16892  5.10594  0.111411  5.05545  0.11561   
1 1 1 41 12 19 o 3.39726  0.0994096 11.5637      0.675439 11.3405      0.928429 11.8146      0.984463 3.36131  0.138105  3.43034  0.143493  
1 1 1 41 12 20 o 3.91897  0.0923618 15.386       0.723926 14.6653      0.997554 16.1878      1.0522   3.82271  0.130477  4.01618  0.130995  
1 1 1 41 12 21 o 4.19818  0.0935435 17.6618      0.785425 18.1632      1.10486  17.1495      1.11676  4.25323  0.129885  4.13214  0.13513   
1 1 1 41 12 22 o 0.773313 0.292019  0.452488     0.617208 -0.0296563   0.834365 1.03516      0.917235 0.733819 0.315384  1.04349  0.360728  
1 1 1 41 12 23 f 4.51441  0.0923237 20.4333      0.833573 20.5103      1.12703  20.3404      1.23854  4.51799  0.124727  4.49689  0.137711  
1 1 1 41 12 24 o 5.43802  0.0966906 29.6691      1.05161  28.5494      1.48501  30.7954      1.4894   5.32489  0.139441  5.53166  0.134625  
1 1 1 41 12 25 f 5.19603  0.0959184 27.0886      0.99679  29.1662      1.39673  24.9322      1.42299  5.38405  0.12971   4.97466  0.143024  
1 1 1 41 12 26 o 1.4335   0.278087  2.18425      0.768819 2.51884      1.04246  1.78524      1.13841  1.52188  0.349638  1.29005  0.400039  
1 1 1 41 12 27 o 1.95381  0.194152  3.88909      0.758673 3.07769      1.03146  4.84546      1.11983  1.68879  0.317067  2.16569  0.258538  
1 1 1 41 12 28 o 2.96606  0.141619  8.89587      0.840102 8.2547       1.1383   9.66289      1.24502  2.84137  0.200309  3.07343  0.202546  
1 1 1 41 12 29 o 0.959396 0.339281  0.894836     0.81539  0.35662      1.16406  1.41331      1.14251  0.916081 0.382049  1.16345  0.402558  
1 1 1 41 12 30 o 3.25353  0.139283  10.7294      0.906323 10.6501      1.27827  10.8096      1.28523  3.21932  0.198531  3.24352  0.198123  
1 1 1 41 12 31 o 0.510946 0.250164  -1.56075     0.860566 -2.58822     1.22754  -0.567746    1.20677  0.576772 0.285536  0.767741 0.350396  
1 1 1 41 12 32 o 1.77166  0.240503  3.29819      0.852179 3.77389      1.20655  2.82468      1.20378  1.82885  0.342535  1.55274  0.38826   
1 1 1 41 12 33 o 0.725655 0.315399  0.0383685    0.852303 -0.903944    1.21763  0.943572     1.19341  0.713887 0.334923  1.01354  0.399938  
1 1 1 41 12 34 o 0.859038 0.339905  0.626166     0.864226 1.37797      1.19776  -0.190298    1.2482   1.10249  0.408776  0.807845 0.364518  
1 1 1 41 12 35 f 2.43864  0.190054  6.27231      0.926946 7.01993      1.28401  5.45859      1.33956  2.52934  0.253823  2.18659  0.306312  
1 1 1 41 12 36 o 0.611072 0.286227  -0.541158    0.876337 -1.89018     1.24995  0.762983     1.22898  0.604648 0.297698  0.92335  0.389201  
1 1 1 41 12 37 o 1.07415  0.369607  1.57466      0.961984 0.833078     1.40277  2.23306      1.32174  0.924848 0.403314  1.20771  0.431475  
1 1 1 41 12 38 o 0.646864 0.304033  -0.414438    1.01707  -0.829243    1.49151  -0.0539202   1.39049  0.717798 0.346396  0.773995 0.362139  
1 1 1 41 12 39 o 0.984063 0.386968  1.70796      1.11369  1.09993      1.65537  2.21073      1.50529  0.866241 0.401339  1.02585  0.431491  
1 1 1 41 12 40 o 0.897198 0.377022  1.47188      1.14745  1.45264      1.60024  1.49224      1.6462   0.869145 0.399512  0.872339 0.402655  
1 1 1 41 13 0  o 1.49919  0.282557  2.47626      0.758178 2.47626      0.758178 2.47626      0.758178 1.54251  0.17928   ?        ?         
1 1 1 41 13 1  o 4.6766   0.0715506 21.8765      0.669227 21.6033      0.945212 22.1511      0.947652 4.64667  0.101709  4.70523  0.100702  
1 1 1 41 13 2  o 11.7557  0.0906513 138.259      2.13135  137.129      2.99699  139.414      3.03167  11.7051  0.128021  11.8022  0.128437  
1 1 1 41 13 3  o 20.0852  0.141314  403.857      5.67664  399.968      8.05562  407.693      8.00062  19.977   0.201622  20.1698  0.198332  
1 1 1 41 13 4  o 5.89521  0.0672473 34.7623      0.792874 34.0904      1.12849  35.4175      1.11423  5.83716  0.0966646 5.94979  0.0936358 
1 1 1 41 13 5  o 3.50946  0.0758244 12.3205      0.532206 11.5096      0.734486 13.2168      0.772237 3.39142  0.108286  3.6343   0.106243  
1 1 1 41 13 6  f 6.11249  0.0681641 37.3731      0.833304 37.7317      1.18054  37.0169      1.17641  6.14088  0.0961211 6.08241  0.0967062 
1 1 1 41 13 7  o 9.88892  0.0805714 97.8314      1.59353  94.8333      2.19439  101.176      2.31786  9.73423  0.112715  10.0543  0.115267  
1 1 1 41 13 8  o 7.14333  0.0704203 51.0445      1.00607  51.3719      1.42236  50.7167      1.42324  7.16498  0.0992578 7.11911  0.0999591 
1 1 1 41 13 9  o 10.2264  0.0841526 104.634      1.72116  105.212      2.40044  104.023      2.46919  10.252   0.117071  10.1936  0.121115  
1 1 1 41 13 10 o 7.36037  0.0760036 54.2004      1.11883  54.4562      1.55961  53.9292      1.60593  7.37608  0.105721  7.34006  0.109395  
1 1 1 41 13 11 o 10.3623  0.0903817 107.456      1.87311  107.669      2.71077  107.262      2.59124  10.3683  0.130724  10.3493  0.125189  
1 1 1 41 13 12 o 6.86442  0.0719812 47.1456      0.988218 48.314       1.44467  46.1182      1.35476  6.94695  0.103979  6.78755  0.0997974 
1 1 1 41 13 13 o 6.49184  0.0758808 42.1709      0.985212 43.4291      1.38959  40.8993      1.39704  6.58601  0.105496  6.39102  0.109297  
1 1 1 41 13 14 o 0.986863 0.274477  1.0118       0.561128 0.607181     0.808425 1.38797      0.779477 0.893859 0.33495   1.15461  0.324275  
1 1 1 41 13 15 o 5.56453  0.0804808 30.9914      0.895675 33.1904      1.33072  29.17        1.21107  5.75585  0.115597  5.39629  0.112213  
1 1 1 41 13 16 o 9.10683  0.0870557 83.0275      1.5856   82.9262      2.20443  83.136       2.28236  9.09641  0.12117   9.10721  0.125305  
1 1 1 41 13 17 o 3.2445   0.105749  10.5462      0.686202 11.5064      0.958898 9.53847      0.982402 3.38645  0.141579  3.08192  0.159382  
1 1 1 41 13 18 o 2.57898  0.118964  6.66865      0.613613 6.10227      0.835101 7.33326      0.904621 2.4637   0.169481  2.70096  0.167463  
1 1 1 41 13 19 o 0.887147 0.292497  0.766931     0.60195  0.794504     0.835755 0.737208     0.867716 0.954697 0.342899  0.946003 0.348437  
1 1 1 41 13 20 o 3.9052   0.0919394 15.2796      0.718083 13.8941      0.98459  16.8539      1.04957  3.72019  0.13233   4.09784  0.128063  
1 1 1 41 13 21 o 5.90019  0.0870199 34.8804      1.02687  32.6015      1.39601  37.5673      1.5158   5.69878  0.122483  6.11714  0.123898  
1 1 1 41 13 22 o 1.3383   0.24307   1.87637      0.626604 0.787222     0.830419 3.31639      0.954859 0.946457 0.341617  1.80289  0.264813  
1 1 1 41 13 23 o 4.26963  0.0960443 18.284       0.820148 19.4392      1.13173  17.0062      1.19021  4.39709  0.12869   4.10978  0.144802  
1 1 1 41 13 24 o 5.67268  0.0913803 32.2761      1.03674  33.2313      1.47787  31.3506      1.45476  5.74746  0.128567  5.58201  0.130308  
1 1 1 41 13 25 o 1.50256  0.234425  2.30529      0.704477 3.01891      0.99696  1.59361      0.995603 1.6831   0.307598  1.22291  0.37308   
1 1 1 41 13 26 o 0.608328 0.278229  -0.492854    0.765403 -1.06783     1.01399  0.26868      1.16695  0.640144 0.301659  0.912172 0.381605  
1 1 1 41 13 27 o 2.19208  0.171363  4.87673      0.751281 4.55242      1.03644  5.23578      1.09057  2.10151  0.246595  2.25502  0.241808  
1 1 1 41 13 28 o 1.96967  0.199807  3.96911      0.787107 3.31328      1.07216  4.73575      1.15921  1.74627  0.318818  2.13098  0.27199   
1 1 1 41 13 29 o 4.04697  0.120945  16.5298      0.978924 15.4434      1.36931  17.6655      1.40002  3.89146  0.175938  4.16557  0.168046  
1 1 1 41 13 30 o 0.679877 0.300337  -0.146431    0.801811 0.264388     1.11203  -0.591289    1.15718  0.87382  0.369363  0.747816 0.342059  
1 1 1 41 13 31 o 2.22262  0.204896  5.10055      0.91081  3.98893      1.28049  6.23893      1.29581  1.88536  0.352655  2.43179  0.26643   
1 1 1 41 13 32 o 2.75592  0.162922  7.77555      0.898003 7.57721      1.26557  7.97667      1.27441  2.6866   0.235533  2.75903  0.230953  
1 1 1 41 13 33 o 0.684412 0.307334  -0.213242    0.876808 0.185418     1.20232  -0.6661      1.28144  0.86032  0.374278  0.760294 0.352583  
1 1 1 41 13 34 o 0.816586 0.3318    0.484899     0.850449 2.81124      1.20178  -1.84873     1.20366  1.50211  0.394822  0.608489 0.297439  
1 1 1 41 13 35 o 1.00438  0.352961  1.19247      0.881218 0.520451     1.21137  1.94783      1.28428  0.891493 0.381474  1.2118   0.426079  
1 1 1 41 13 36 o 0.692262 0.311907  -0.0846285   0.91057  -0.463804    1.2878   0.294483     1.28769  0.748607 0.349579  0.850763 0.377601  
1 1 1 41 13 37 o 0.70922  0.319663  0.0590561    0.957279 0.700525     1.48325  -0.398884    1.25323  0.900516 0.402163  0.720838 0.338472  
1 1 1 41 13 38 o 0.788156 0.342688  0.542179     1.00685  -0.708738    1.48753  1.59983      1.3678   0.722463 0.347978  1.00898  0.417038  
1 1 1 41 13 39 o 0.781944 0.34751   0.74824      1.0954   1.01557      1.60636  0.515882     1.4976   0.840294 0.391632  0.782378 0.368076  
1 1 1 41 13 40 o 0.487813 0.245933  -2.05993     1.10197  -1.73366     1.55516  -2.38896     1.56171  0.593229 0.298298  0.565147 0.285698  
1 1 1 41 14 0  o 4.84947  0.100276  23.5542      0.97163  23.5542      0.97163  23.5542      0.97163  4.85137  0.0708435 ?        ?         
1 1 1 41 14 1  o 10.3163  0.0808725 106.467      1.66862  105.703      2.35291  107.24       2.36671  10.2773  0.114471  10.3518  0.114314  
1 1 1 41 14 2  o 7.15456  0.0729906 51.2037      1.04443  51.9747      1.49334  50.4654      1.46128  7.20709  0.103602  7.10171  0.102882  
1 1 1 41 14 3  o 5.05802  0.0702767 25.591       0.710921 25.0552      1.02199  26.0935      0.989581 5.00396  0.102118  5.10675  0.0968895 
1 1 1 41 14 4  o 7.68299  0.0717613 59.0468      1.10268  59.6491      1.6497   58.5604      1.48252  7.72058  0.106838  7.65027  0.0968931 
1 1 1 41 14 5  o 2.59187  0.0949012 6.72163      0.491944 6.82988      0.677722 6.60108      0.715218 2.612    0.129732  2.56766  0.139274  
1 1 1 41 14 6  o 2.56675  0.0883676 6.59159      0.453634 5.55721      0.586763 8.12841      0.71521  2.35615  0.124517  2.84953  0.125496  
1 1 1 41 14 7  o 5.39662  0.0664319 29.1325      0.717015 29.1806      1.01353  29.0843      1.0145   5.40022  0.0938414 5.39129  0.0940866 
1 1 1 41 14 8  o 6.32742  0.0692299 40.0507      0.876094 38.0586      1.25484  41.9452      1.22372  6.16674  0.101742  6.47432  0.0945054 
1 1 1 41 14 9  o 11.3659  0.0915769 129.273      2.08171  130.414      2.95552  128.15       2.93259  11.412   0.129492  11.3125  0.129617  
1 1 1 41 14 10 o 5.86318  0.07713   34.3956      0.904454 34.5692      1.26881  34.2162      1.28962  5.87643  0.107958  5.84621  0.110296  
1 1 1 41 14 11 o 7.42612  0.0726771 55.1774      1.07942  54.699       1.5315   55.6497      1.5216   7.39181  0.103595  7.45589  0.10204   
1 1 1 41 14 12 o 3.5544   0.0891716 12.6448      0.633903 11.574       0.850719 13.9815      0.950508 3.39915  0.125137  3.73587  0.127214  
1 1 1 41 14 13 o 5.99003  0.0760957 35.9051      0.911631 36.2968      1.2746   35.4948      1.30439  6.02067  0.105852  5.9535   0.109549  
1 1 1 41 14 14 o 1.48413  0.187436  2.21288      0.556359 3.0441       0.789738 1.39387      0.783916 1.7388   0.227092  1.1565   0.325325  
1 1 1 41 14 15 o 5.52587  0.0787886 30.5626      0.870752 31.5174      1.276    29.7305      1.19123  5.60877  0.11375   5.44784  0.10933   
1 1 1 41 14 16 o 7.37445  0.0803193 54.438       1.18462  54.7457      1.62067  54.085       1.73587  7.39193  0.109624  7.34605  0.11815   
1 1 1 41 14 17 o 2.06765  0.144622  4.29111      0.598055 4.02957      0.842881 4.55628      0.848704 1.99945  0.210778  2.12699  0.199509  
1 1 1 41 14 18 f 5.51093  0.0808691 30.4096      0.891328 29.017       1.16243  32.3967      1.38855  5.38055  0.108022  5.68345  0.122157  
1 1 1 41 14 19 o 3.3421   0.10268   11.1947      0.686333 11.985       0.983356 10.444       0.95837  3.45457  0.142327  3.22422  0.148621  
1 1 1 41 14 20 o 0.788215 0.291814  0.499601     0.609937 1.3606       0.848625 -0.420458    0.877248 1.14346  0.343568  0.678933 0.306011  
1 1 1 41 14 21 o 2.13954  0.150353  4.60639      0.643373 4.82059      0.873296 4.35213      0.951455 2.1836   0.199967  2.07119  0.229688  
1 1 1 41 14 22 o 1.82236  0.180721  3.35411      0.658679 3.03818      0.897394 3.72312      0.969844 1.7253   0.260068  1.91083  0.253775  
1 1 1 41 14 23 o 4.44122  0.096666  19.788       0.858631 19.4392      1.24937  20.1002      1.182    4.39358  0.142181  4.46976  0.132222  
1 1 1 41 14 24 o 5.17297  0.0925623 26.8415      0.957644 26.5503      1.32725  27.1578      1.38311  5.13725  0.129179  5.19471  0.133126  
1 1 1 41 14 25 o 1.87925  0.199758  3.5876       0.750791 4.34071      1.08243  2.88935      1.04227  2.05519  0.263341  1.63838  0.329663  
1 1 1 41 14 26 o 2.7964   0.141124  7.89432      0.789279 7.64383      1.0746   8.18775      1.16306  2.73978  0.19611   2.83316  0.205259  
1 1 1 41 14 27 o 1.12922  0.313555  1.38418      0.732874 1.98259      1.01964  0.744653     1.0541   1.33763  0.369248  0.976791 0.378143  
1 1 1 41 14 28 o 1.82957  0.216659  3.44067      0.792788 3.12117      1.0639   3.83961      1.18881  1.68993  0.326427  1.9051   0.312008  
1 1 1 41 14 29 o 2.45218  0.176418  6.13764      0.865218 6.16838      1.2336   6.10788      1.21384  2.43202  0.253617  2.42121  0.250668  
1 1 1 41 14 30 o 0.628807 0.286488  -0.415925    0.79926  -0.429109    1.09608  -0.400955    1.168    0.747853 0.339293  0.777992 0.351745  
1 1 1 41 14 31 o 1.51634  0.303706  2.54738      0.888539 2.57776      1.2851   2.51956      1.22988  1.47484  0.417072  1.46268  0.406205  
1 1 1 41 14 32 o 0.768116 0.323643  0.223717     0.849279 0.689603     1.17518  -0.28559     1.22873  0.961411 0.390241  0.803347 0.362121  
1 1 1 41 14 33 o 0.717466 0.314685  -0.000691033 0.864215 0.792164     1.17876  -0.922191    1.27079  0.967461 0.391594  0.723715 0.340065  
1 1 1 41 14 34 o 1.64772  0.272367  2.9928       0.897569 2.68731      1.28846  3.28081      1.25107  1.44144  0.420889  1.62259  0.389807  
1 1 1 41 14 35 o 0.675927 0.30517   -0.148674    0.876097 0.0265957    1.2736   -0.306106    1.20705  0.817762 0.368643  0.754923 0.346995  
1 1 1 41 14 36 o 0.669656 0.304097  -0.153148    0.884442 -0.201078    1.22557  -0.101059    1.27763  0.761349 0.349822  0.787356 0.359842  
1 1 1 41 14 37 o 0.795378 0.338587  0.571611     0.945629 0.222354     1.3767   0.883584     1.30114  0.812671 0.372295  0.898494 0.390096  
1 1 1 41 14 38 o 0.55805  0.27182   -1.01451     0.975751 -0.788298    1.45438  -1.19968     1.31584  0.695336 0.336745  0.633961 0.310146  
1 1 1 41 14 39 o 0.716335 0.331922  0.296583     1.13264  -0.517517    1.56585  1.18998      1.64034  0.696732 0.340265  0.854255 0.397215  
1 1 1 41 14 40 o 0.661346 0.313101  0.26477      1.11003  -0.0785648   1.5795   0.599815     1.56031  0.671652 0.330799  0.718394 0.348138  
1 1 1 41 15 0  o 5.06025  0.0998634 25.644       1.00978  25.644       1.00978  25.644       1.00978  5.06212  0.0705569 ?        ?         
1 1 1 41 15 1  o 11.1822  0.0867722 125.101      1.94061  125.591      2.72783  124.599      2.76136  11.2015  0.121762  11.157   0.12375   
1 1 1 41 15 2  f 4.67517  0.072711  21.8645      0.679873 21.1376      0.970722 22.5644      0.952507 4.59592  0.105607  4.74867  0.100292  
1 1 1 41 15 3  o 3.52615  0.0785504 12.4387      0.553961 12.1632      0.779002 12.7206      0.787913 3.48615  0.111728  3.56517  0.110502  
1 1 1 41 15 4  o 10.5377  0.0836894 111.095      1.76379  109.894      2.52915  112.233      2.461    10.4779  0.12069   10.5892  0.116203  
1 1 1 41 15 5  o 5.41483  0.0673116 29.3295      0.728961 28.6509      1.02059  30.0364      1.04154  5.35094  0.0953657 5.47881  0.0950516 
1 1 1 41 15 6  o 1.2781   0.167441  1.63688      0.428014 1.00002      0.555686 2.56584      0.671132 0.982864 0.27307   1.59923  0.20983   
1 1 1 41 15 7  o 2.44248  0.12607   5.97303      0.615849 5.63841      0.916387 6.24864      0.831649 2.37107  0.193243  2.49702  0.166528  
1 1 1 41 15 8  o 11.7552  0.0950212 138.289      2.23398  139.333      3.20436  137.302      3.11614  11.7948  0.135838  11.7088  0.133068  
1 1 1 41 15 9  o 2.81419  0.11668   7.92966      0.656721 7.09066      0.932795 8.75424      0.924745 2.65904  0.175401  2.9554   0.15645   
1 1 1 41 15 10 o 4.61474  0.0809012 21.3102      0.746676 21.3007      1.00573  21.3219      1.11456  4.61245  0.109023  4.61411  0.120777  
1 1 1 41 15 11 o 4.07335  0.0745173 16.6023      0.60707  15.7742      0.857113 17.4358      0.859948 3.96915  0.107972  4.17321  0.103032  
1 1 1 41 15 12 o 5.51556  0.0724603 30.4401      0.799319 30.2572      1.12269  30.6281      1.13829  5.49729  0.102113  5.53083  0.102904  
1 1 1 41 15 13 o 5.17246  0.0782234 26.7756      0.809215 26.7665      1.14509  26.7846      1.14372  5.16953  0.110754  5.17129  0.110583  
1 1 1 41 15 14 o 8.61332  0.085157  74.2654      1.46697  75.348       2.13017  73.2887      2.02318  8.67104  0.122833  8.55239  0.118281  
1 1 1 41 15 15 o 10.938   0.0947786 119.803      2.07337  118.68       2.8844   121.004      2.98242  10.8793  0.132564  10.9845  0.135756  
1 1 1 41 15 16 o 6.7667   0.079154  45.8374      1.07122  44.366       1.45026  47.604       1.58912  6.65397  0.108977  6.89166  0.115293  
1 1 1 41 15 17 o 5.38814  0.0841748 29.0711      0.90709  30.8131      1.29581  27.3973      1.27021  5.54376  0.116871  5.22691  0.121507  
1 1 1 41 15 18 f 2.84409  0.116917  8.11164      0.665042 7.68634      0.927004 8.56266      0.954628 2.76447  0.167664  2.91821  0.163564  
1 1 1 41 15 19 o 4.72031  0.0873878 22.32        0.824994 23.0464      1.14678  21.5407      1.18773  4.79291  0.119633  4.63259  0.128193  
1 1 1 41 15 20 o 6.44226  0.0906423 41.5914      1.16788  43.3021      1.58947  39.5841      1.72172  6.56801  0.121001  6.27633  0.137159  
1 1 1 41 15 21 o 2.66826  0.124703  7.15186      0.665479 6.54373      0.87163  8.00177      1.03044  2.54732  0.171088  2.81514  0.183017  
1 1 1 41 15 22 o 3.57096  0.108555  12.8         0.775293 13.7675      1.08407  11.787       1.10922  3.69757  0.146592  3.41863  0.162232  
1 1 1 41 15 23 o 4.20818  0.100813  17.7737      0.848476 17.6624      1.20528  17.883       1.19464  4.18696  0.143933  4.2135   0.141763  
1 1 1 41 15 24 o 3.51264  0.110578  12.3954      0.776839 11.7486      1.07226  13.11        1.12701  3.41172  0.157144  3.60415  0.156349  
1 1 1 41 15 25 o 3.34211  0.123852  11.2388      0.827854 12.0194      1.13743  10.3596      1.20721  3.44779  0.16495   3.19543  0.188896  
1 1 1 41 15 26 o 2.39663  0.164404  5.82186      0.788031 7.10046      1.0925   4.43513      1.13776  2.63649  0.207189  2.06715  0.275201  
1 1 1 41 15 27 o 3.23325  0.127063  10.5499      0.821655 10.5078      1.14683  10.5944      1.17778  3.21246  0.178497  3.22431  0.182641  
1 1 1 41 15 28 o 0.877661 0.326959  0.669575     0.768082 -0.0344703   1.04709  1.48971      1.13012  0.802073 0.349115  1.18296  0.400778  
1 1 1 41 15 29 o 1.60259  0.255248  2.68706      0.818117 2.60503      1.14744  2.77188      1.16679  1.51052  0.379891  1.55953  0.377578  
1 1 1 41 15 30 o 1.18162  0.336768  1.56293      0.834711 0.835407     1.16164  2.33957      1.20022  1.00701  0.39546   1.41937  0.403601  
1 1 1 41 15 31 o 2.0764   0.211797  4.48123      0.879551 4.82741      1.24293  4.13399      1.24481  2.11864  0.293332  1.94787  0.319533  
1 1 1 41 15 32 o 1.94674  0.240897  4.0245       0.937927 5.08513      1.23521  2.58027      1.44139  2.16301  0.285531  1.43343  0.451271  
1 1 1 41 15 33 o 3.3942   0.140428  11.8032      0.953282 11.252       1.3201   12.4039      1.37805  3.27258  0.201691  3.437    0.200473  
1 1 1 41 15 34 o 2.67693  0.176558  7.49829      0.945266 5.49404      1.30202  9.73203      1.37454  2.20609  0.295097  3.0055   0.228671  
1 1 1 41 15 35 o 2.40746  0.190869  6.18377      0.919021 6.1458       1.3325   6.21821      1.2692   2.30897  0.288548  2.34079  0.271104  
1 1 1 41 15 36 o 1.27691  0.355956  2.16753      0.942667 0.898947     1.28753  3.63324      1.38395  0.92991  0.395446  1.57909  0.427675  
1 1 1 41 15 37 o 0.615734 0.289698  -0.460204    0.928037 1.28974      1.37034  -1.94277     1.26131  0.964309 0.408938  0.579614 0.287548  
1 1 1 41 15 38 o 0.948946 0.368191  1.46168      1.00051  0.470585     1.39539  2.51032      1.43534  0.789793 0.366901  1.1104   0.438464  
1 1 1 41 15 39 o 0.688731 0.320744  0.137692     1.07483  0.856036     1.53441  -0.554345    1.50605  0.818761 0.382046  0.688186 0.335653  
1 1 1 41 16 0  o 23.7947  0.237326  567.445      11.2916  567.445      11.2916  567.445      11.2916  23.8077  0.167703  ?        ?         
1 1 1 41 16 1  o 8.77952  0.0752608 77.1099      1.32151  77.5671      1.86668  76.6505      1.87111  8.80378  0.106016  8.75155  0.106902  
1 1 1 41 16 2  o 7.68841  0.0778676 59.1366      1.19736  60.3165      1.82626  58.247       1.58574  7.76258  0.117632  7.62907  0.103927  
1 1 1 41 16 3  o 5.01265  0.0722434 25.136       0.724261 23.0331      1.0446   27.0827      1.00506  4.79723  0.108875  5.20236  0.0965969 
1 1 1 41 16 4  o 14.0407  0.101918  197.29       2.86198  193.89       4.07643  200.596      4.01908  13.9133  0.146494  14.1526  0.141991  
1 1 1 41 16 5  o 10.4707  0.0817903 109.692      1.7128   110.426      2.47277  109.014      2.37474  10.5027  0.11772   10.4358  0.113779  
1 1 1 41 16 6  o 6.75639  0.0747241 45.6694      1.00973  43.8947      1.39889  47.5999      1.45895  6.62228  0.10562   6.89611  0.105781  
1 1 1 41 16 7  o 7.51601  0.0771311 56.5198      1.15944  55.5429      1.64048  57.4947      1.6389   7.44875  0.110118  7.57864  0.108127  
1 1 1 41 16 8  o 7.71324  0.0786541 59.5295      1.21336  57.7736      1.72971  61.2306      1.70251  7.59619  0.113854  7.82057  0.108848  
1 1 1 41 16 9  o 2.97295  0.111803  8.84994      0.664768 8.82733      0.984036 8.86893      0.901609 2.96686  0.165838  2.97454  0.151554  
1 1 1 41 16 10 o 5.5754   0.0792198 31.1064      0.883364 30.7237      1.22909  31.5153      1.27046  5.53917  0.110946  5.60991  0.113234  
1 1 1 41 16 11 o 2.64774  0.119854  7.02223      0.634686 6.18176      0.905744 7.83308      0.889635 2.48149  0.1825    2.79463  0.159169  
1 1 1 41 16 12 o 4.60374  0.0711946 21.2081      0.655522 21.0433      0.951634 21.357       0.904274 4.58414  0.103796  4.61852  0.0978965 
1 1 1 41 16 13 o 6.12053  0.0736208 37.4893      0.901196 37.6143      1.30665  37.3758      1.24459  6.12817  0.10661   6.10914  0.101863  
1 1 1 41 16 14 f 4.34668  0.0806038 18.9121      0.700719 18.5518      0.999986 19.2596      0.982186 4.30278  0.116202  4.38441  0.112009  
1 1 1 41 16 15 o 4.40971  0.0818527 19.4672      0.721894 20.051       1.02317  18.8885      1.01867  4.47294  0.114373  4.34109  0.117328  
1 1 1 41 16 16 o 4.29267  0.0833957 18.4506      0.71598  17.8438      0.979798 19.1459      1.04882  4.21895  0.116119  4.3698   0.120008  
1 1 1 41 16 17 o 3.03287  0.103138  9.21802      0.62561  10.3972      0.89033  8.06794      0.879265 3.21831  0.138323  2.83359  0.155151  
1 1 1 41 16 18 o 3.45045  0.098024  11.9305      0.676455 12.3409      0.961527 11.5282      0.951849 3.50587  0.137131  3.38813  0.140468  
1 1 1 41 16 19 o 3.47654  0.0969455 12.1141      0.67407  12.6771      0.914001 11.4428      0.998099 3.55332  0.128612  3.37371  0.147923  
1 1 1 41 16 20 o 8.25801  0.094056  68.3633      1.55343  69.0294      2.14842  67.6335      2.24878  8.28914  0.129593  8.20264  0.137077  
1 1 1 41 16 21 o 4.03453  0.0981342 16.3254      0.791851 17.4454      1.07017  14.9701      1.17716  4.16627  0.128432  3.8554   0.152664  
1 1 1 41 16 22 o 5.61467  0.0919341 31.616       1.03236  31.6488      1.44491  31.5818      1.47552  5.60963  0.128788  5.60297  0.131674  
1 1 1 41 16 23 o 5.02319  0.0918975 25.3087      0.923238 26.4409      1.30748  24.1828      1.30384  5.12703  0.127509  4.90197  0.132991  
1 1 1 41 16 24 o 0.82302  0.308935  0.541536     0.688302 1.14914      0.953325 -0.120098    0.994812 1.07718  0.368097  0.777476 0.339339  
1 1 1 41 16 25 o 1.41511  0.269405  2.13099      0.735026 2.11303      0.996453 2.15243      1.08862  1.38776  0.357028  1.39754  0.379667  
1 1 1 41 16 26 o 1.66399  0.218289  2.83714      0.726463 2.24808      1.00403  3.48436      1.05243  1.4268   0.353264  1.82778  0.287898  
1 1 1 41 16 27 o 2.77789  0.140611  7.8059       0.781206 8.5842       1.08303  6.96175      1.12792  2.90042  0.186702  2.60297  0.216661  
1 1 1 41 16 28 o 0.908618 0.326105  0.780853     0.75577  0.427688     1.02805  1.19618      1.11486  0.887998 0.363466  1.09782  0.395865  
1 1 1 41 16 29 o 0.645676 0.289024  -0.248048    0.770044 -0.757834    1.06065  0.320149     1.11977  0.688291 0.319799  0.887036 0.372585  
1 1 1 41 16 30 o 1.77198  0.236214  3.27744      0.837133 3.04935      1.16247  3.52315      1.20653  1.63599  0.364701  1.76802  0.353703  
1 1 1 41 16 31 o 1.55612  0.280776  2.6572       0.841886 2.57549      1.16638  2.74608      1.21641  1.47931  0.389027  1.52458  0.3956    
1 1 1 41 16 32 o 0.708056 0.315529  -0.149365    0.908643 -1.13245     1.18712  1.24134      1.41195  0.675074 0.321578  1.10343  0.435142  
1 1 1 41 16 33 o 1.26431  0.328471  1.88604      0.837952 2.56686      1.15174  1.12037      1.22141  1.43791  0.390468  1.03886  0.406041  
1 1 1 41 16 34 o 2.1437   0.217441  4.93968      0.932253 5.55468      1.28292  4.25161      1.35701  2.21342  0.289806  1.84131  0.381352  
1 1 1 41 16 35 o 0.73397  0.319241  0.196549     0.87437  0.147965     1.19363  0.252807     1.28445  0.808941 0.361032  0.844941 0.375877  
1 1 1 41 16 36 o 1.27747  0.355015  2.20956      0.939113 4.92328      1.33745  -0.429616    1.31895  1.93108  0.359707  0.736194 0.34608   
1 1 1 41 16 37 f 1.35823  0.359741  2.60733      0.992914 3.90008      1.45522  1.48123      1.35818  1.53884  0.446644  0.991913 0.413112  
1 1 1 41 16 38 o 0.871098 0.357346  1.18358      0.995938 0.888135     1.46832  1.43533      1.35539  0.830016 0.382015  0.90491  0.395514  
1 1 1 41 16 39 o 0.545437 0.269934  -1.26459     1.09478  -1.09053     1.56128  -1.43297     1.53555  0.646405 0.320496  0.622901 0.310152  
1 1 1 41 17 0  o 5.7601   0.101112  33.2222      1.16403  33.2222      1.16403  33.2222      1.16403  5.76198  0.071449  ?        ?         
1 1 1 41 17 1  f 13.6772  0.106797  187.228      2.92138  188.783      4.16217  185.718      4.1014   13.7277  0.151598  13.6159  0.15061   
1 1 1 41 17 2  o 8.86677  0.0774677 78.656       1.37378  78.0993      2.00482  79.1489      1.88623  8.83293  0.113485  8.89265  0.106055  
1 1 1 41 17 3  o 13.2382  0.101894  175.395      2.69779  176.998      3.94324  173.985      3.69897  13.2924  0.148327  13.1799  0.140326  
1 1 1 41 17 4  o 3.32999  0.076792  11.0942      0.511433 10.4063      0.706255 11.8527      0.74159  3.22427  0.109522  3.44111  0.107754  
1 1 1 41 17 5  o 6.77465  0.071886  45.9165      0.974006 45.2077      1.36587  46.6499      1.38933  6.72064  0.101618  6.82699  0.101753  
1 1 1 41 17 6  o 8.04892  0.0789609 64.8226      1.2711   63.427       1.7655   66.3245      1.83153  7.95957  0.110904  8.13921  0.112513  
1 1 1 41 17 7  o 7.19191  0.0784986 51.7558      1.12911  49.714       1.64271  53.5844      1.55454  7.04602  0.11657   7.316    0.106243  
1 1 1 41 17 8  o 5.81713  0.078137  33.8609      0.909067 32.8282      1.29179  34.874       1.27952  5.72576  0.112806  5.90177  0.108402  
1 1 1 41 17 9  o 8.9241   0.093077  79.716       1.66126  80.0581      2.34144  79.3692      2.35739  8.93904  0.130967  8.9003   0.132433  
1 1 1 41 17 10 o 7.88639  0.0852509 62.2482      1.34464  62.4192      1.92026  62.0837      1.8835   7.89371  0.121632  7.87269  0.119623  
1 1 1 41 17 11 o 4.27845  0.0881258 18.3233      0.754084 19.0154      1.11767  17.7451      1.02165  4.35608  0.128289  4.20852  0.121379  
1 1 1 41 17 12 o 0.821527 0.288833  0.600978     0.590157 1.08812      0.856459 0.160558     0.814349 1.05743  0.348895  0.774397 0.321036  
1 1 1 41 17 13 o 2.29458  0.111406  5.2748       0.511261 5.85993      0.815683 4.89617      0.656145 2.41558  0.168838  2.20909  0.148511  
1 1 1 41 17 14 o 1.13863  0.23589   1.35631      0.519087 1.34278      0.729224 1.3702       0.739076 1.13217  0.312149  1.14324  0.313833  
1 1 1 41 17 15 o 4.29765  0.0800785 18.491       0.688298 18.2638      0.974044 18.7176      0.972759 4.26862  0.114094  4.32145  0.11255   
1 1 1 41 17 16 o 4.37549  0.0860379 19.1728      0.752915 17.9019      1.0086   20.7725      1.13154  4.22514  0.119357  4.55077  0.124324  
1 1 1 41 17 17 o 0.415383 0.203588  -1.13282     0.573493 -0.874918    0.828211 -1.3704      0.794897 0.585217 0.274857  0.508292 0.246997  
1 1 1 41 17 18 o 3.15532  0.100689  9.97956      0.635414 9.49628      0.876469 10.515       0.922522 3.07435  0.142546  3.23504  0.142583  
1 1 1 41 17 19 o 4.45684  0.0879826 19.9044      0.78425  19.6477      1.05398  20.2228      1.17387  4.42428  0.119113  4.48685  0.130812  
1 1 1 41 17 20 o 1.21267  0.275664  1.56115      0.653609 2.23722      0.913432 0.851791     0.935655 1.44645  0.323869  0.992244 0.362175  
1 1 1 41 17 21 o 1.33846  0.246981  1.88197      0.636315 2.54232      0.886608 1.18052      0.913779 1.54842  0.296885  1.0853   0.360381  
1 1 1 41 17 22 o 3.14422  0.123806  9.94077      0.778548 9.19416      1.1058   10.6747      1.09633  3.01384  0.183454  3.25048  0.168641  
1 1 1 41 17 23 o 1.91646  0.18427   3.71949      0.706291 4.0826       0.96527  3.30105      1.03619  1.99873  0.241471  1.78886  0.289623  
1 1 1 41 17 24 o 1.11785  0.298596  1.33973      0.680445 2.35605      0.922286 0.125701     1.00801  1.47747  0.321096  0.829971 0.351287  
1 1 1 41 17 25 o 2.52161  0.149574  6.42963      0.754332 6.11352      1.01754  6.81532      1.12395  2.44638  0.207968  2.58036  0.21779   
1 1 1 41 17 26 o 1.63101  0.222124  2.73328      0.724574 3.45573      1.00898  1.96396      1.04119  1.82027  0.27715   1.32898  0.375276  
1 1 1 41 17 27 o 3.97309  0.111054  15.9033      0.882453 16.0661      1.22474  15.7275      1.27259  3.97967  0.153874  3.93459  0.161718  
1 1 1 41 17 28 o 1.62982  0.241415  2.76205      0.786928 3.18712      1.08083  2.28252      1.14797  1.69969  0.329717  1.4137   0.392394  
1 1 1 41 17 29 o 0.66257  0.293741  -0.174894    0.776289 -0.346761    1.06487  0.0200378    1.13407  0.748783 0.337341  0.834407 0.36326   
1 1 1 41 17 30 o 0.595453 0.27759   -0.629572    0.807697 -0.357716    1.12351  -0.920366    1.16198  0.763729 0.345156  0.701374 0.328715  
1 1 1 41 17 31 o 1.28465  0.329516  1.89459      0.850681 2.35849      1.15095  1.33603      1.26292  1.40532  0.393831  1.12264  0.419049  
1 1 1 41 17 32 o 1.98273  0.22679   4.17698      0.899327 5.51025      1.27216  2.84506      1.27152  2.24081  0.283863  1.51055  0.410302  
1 1 1 41 17 33 o 0.591434 0.277824  -0.687136    0.84695  -0.0530307   1.13125  -1.49592     1.27759  0.787757 0.351527  0.661018 0.31934   
1 1 1 41 17 34 o 0.804483 0.334143  0.473481     0.884826 0.139955     1.22637  0.835612     1.27788  0.824419 0.366998  0.953595 0.399159  
1 1 1 41 17 35 o 1.07215  0.355068  1.47295      0.887032 1.73948      1.21404  1.16772      1.29919  1.12893  0.412503  1.00152  0.409039  
1 1 1 41 17 36 o 0.9481   0.356875  1.19724      0.919752 1.96037      1.29498  0.420414     1.30655  1.11685  0.422622  0.830744 0.373999  
1 1 1 41 17 37 o 0.858631 0.355858  0.925209     1.00016  1.55392      1.47664  0.392306     1.35948  0.985818 0.421484  0.809814 0.370558  
1 1 1 41 17 38 o 0.769163 0.335102  0.752761     0.966471 0.992019     1.38987  0.528757     1.34483  0.824815 0.376326  0.765502 0.357378  
1 1 1 41 17 39 o 0.567506 0.279546  -0.765394    1.10623  -0.00318898  1.63011  -1.41606     1.50613  0.688053 0.338919  0.592172 0.296086  
1 1 1 41 18 0  o 11.9722  0.132607  143.495      3.17433  143.495      3.17433  143.495      3.17433  11.9756  0.0937283 ?        ?         
1 1 1 41 18 1  o 8.0962   0.0732853 65.579       1.18666  65.2613      1.68641  65.8905      1.6701   8.07462  0.104427  8.11356  0.102921  
1 1 1 41 18 2  o 5.40659  0.0682088 29.2432      0.737554 28.0231      1.02195  30.5695      1.06553  5.29151  0.0965651 5.5267   0.0963984 
1 1 1 41 18 3  o 8.96844  0.0789499 80.4785      1.41612  80.9855      2.03218  79.9999      1.97445  8.99398  0.112974  8.93931  0.110436  
1 1 1 41 18 4  o 3.00972  0.076339  9.06343      0.459518 9.30264      0.63471  8.79994      0.666142 3.04846  0.104103  2.9647   0.112346  
1 1 1 41 18 5  o 2.46553  0.12312   6.08811      0.607111 5.40502      0.872919 6.72811      0.844933 2.32078  0.188066  2.59042  0.163088  
1 1 1 41 18 6  o 6.96316  0.078537  48.5168      1.09373  46.2619      1.50176  51.0639      1.59609  6.7973   0.110467  7.14127  0.111751  
1 1 1 41 18 7  o 8.65604  0.0843753 74.9848      1.46071  73.8524      2.03439  76.1898      2.09862  8.58724  0.118454  8.72187  0.120308  
1 1 1 41 18 8  o 8.48675  0.0847143 72.0831      1.4379   72.5213      2.05522  71.6629      2.01245  8.50895  0.120768  8.45865  0.118958  
1 1 1 41 18 9  o 4.08962  0.0889384 16.7408      0.727449 16.1654      1.00356  17.3778      1.05597  4.01687  0.124918  4.16467  0.126778  
1 1 1 41 18 10 o 8.57259  0.0834057 73.5552      1.43001  73.195       1.99214  73.9381      2.05394  8.54791  0.116528  8.5908   0.119543  
1 1 1 41 18 11 o 4.5712   0.0812927 20.9151      0.743211 20.5937      1.08295  21.2012      1.02183  4.53353  0.119438  4.60053  0.111056  
1 1 1 41 18 12 o 9.68414  0.0858534 93.8847      1.66283  91.3103      2.35368  96.4501      2.34953  9.54484  0.123296  9.81042  0.119747  
1 1 1 41 18 13 o 5.90921  0.0766868 34.9516      0.906317 34.535       1.25048  35.4126      1.31544  5.87127  0.106491  5.94497  0.110635  
1 1 1 41 18 14 o 5.17756  0.077417  26.8354      0.801662 25.9045      1.16767  27.6655      1.10257  5.0837   0.114845  5.25467  0.104913  
1 1 1 41 18 15 o 4.19551  0.0824139 17.6254      0.691537 16.3426      0.991192 18.842       0.965285 4.03675  0.122771  4.33556  0.111322  
1 1 1 41 18 16 o 1.02635  0.266292  1.10876      0.551201 1.74725      0.766903 0.426457     0.792773 1.28458  0.303047  0.831921 0.326696  
1 1 1 41 18 17 o 4.8386   0.0813594 23.4468      0.787331 22.3674      1.07469  24.6974      1.15674  4.72259  0.113782  4.96211  0.116557  
1 1 1 41 18 18 o 3.91301  0.0896332 15.3428      0.701472 14.6716      0.942212 16.1775      1.05069  3.82304  0.123228  4.01347  0.130896  
1 1 1 41 18 19 o 1.86498  0.178776  3.50968      0.666826 3.49681      0.898835 3.52544      0.994469 1.85471  0.242311  1.85899  0.267476  
1 1 1 41 18 20 o 5.18208  0.0866977 26.9164      0.898548 27.3019      1.27582  26.5369      1.26571  5.21301  0.122369  5.13931  0.123141  
1 1 1 41 18 21 o 1.72339  0.197471  3.01022      0.680637 1.83832      0.972318 4.13626      0.953102 1.30542  0.360675  2.01416  0.2366    
1 1 1 41 18 22 o 2.47067  0.144031  6.14948      0.711707 6.75297      1.00008  5.53024      1.01305  2.58121  0.193724  2.33186  0.217221  
1 1 1 41 18 23 o 0.920286 0.305644  0.842393     0.657277 1.04687      0.896978 0.605285     0.965905 1.0356   0.356846  0.926511 0.361296  
1 1 1 41 18 24 o 1.91609  0.185671  3.72821      0.711525 3.31108      0.959272 4.23838      1.06088  1.79098  0.267807  2.02776  0.261589  
1 1 1 41 18 25 o 1.99945  0.190563  4.07178      0.762042 4.34167      1.03053  3.74614      1.13198  2.05088  0.251241  1.89277  0.299028  
1 1 1 41 18 26 o 0.943798 0.320027  0.896315     0.720596 0.549117     0.994394 1.28026      1.04569  0.910282 0.363208  1.11636  0.385234  
1 1 1 41 18 27 o 3.90651  0.113265  15.3846      0.88494  14.7003      1.20128  16.1966      1.30858  3.80394  0.157899  3.99041  0.163966  
1 1 1 41 18 28 o 1.41678  0.287842  2.19488      0.787242 1.90743      1.07831  2.52295      1.152    1.29539  0.386892  1.48223  0.385158  
1 1 1 41 18 29 o 2.9325   0.144007  8.73643      0.8446   9.12601      1.17182  8.31525      1.21843  2.97694  0.196817  2.83372  0.214988  
1 1 1 41 18 30 o 2.23873  0.1867    5.1658       0.835941 4.96754      1.14253  5.39421      1.22631  2.16329  0.264072  2.25005  0.272507  
1 1 1 41 18 31 o 1.29009  0.330294  1.92771      0.855893 2.5849       1.18322  1.20641      1.23958  1.46052  0.395392  1.07964  0.412033  
1 1 1 41 18 32 o 1.77672  0.24626   3.39586      0.875073 2.10678      1.21857  4.76846      1.25742  1.29799  0.415638  2.06738  0.304111  
1 1 1 41 18 33 o 0.646768 0.297717  -0.411931    0.892147 -0.642034    1.18129  -0.106448    1.3611   0.715658 0.334433  0.835987 0.378746  
1 1 1 41 18 34 o 0.682599 0.3051    -0.0512614   0.855274 -0.288403    1.15217  0.239791     1.27643  0.73767  0.339044  0.844519 0.375248  
1 1 1 41 18 35 f 0.751959 0.327975  0.270805     0.927973 0.790707     1.35814  -0.184454    1.2709   0.921875 0.399372  0.765187 0.353423  
1 1 1 41 18 36 o 1.41935  0.342947  2.73038      0.964071 3.69865      1.42661  1.91653      1.30791  1.51137  0.443382  1.09198  0.42153   
1 1 1 41 18 37 o 1.82127  0.282099  4.25818      1.02756  2.64179      1.45151  5.88205      1.45487  1.14051  0.443279  1.97289  0.382361  
1 1 1 41 18 38 o 0.849647 0.353043  1.11563      0.988367 1.30396      1.48447  0.965652     1.32467  0.873178 0.39557   0.826302 0.374037  
1 1 1 41 19 0  o 2.87364  0.134611  8.31947      0.769779 8.31947      0.769779 8.31947      0.769779 2.87904  0.0947633 ?        ?         
1 1 1 41 19 1  o 5.47444  0.0704842 29.9845      0.771724 30.8895      1.10089  29.1101      1.08212  5.55511  0.0990881 5.39267  0.100332  
1 1 1 41 19 2  o 0.752746 0.26224   0.508217     0.485547 0.736846     0.683897 0.275845     0.689472 0.899769 0.311441  0.752971 0.301667  
1 1 1 41 19 3  o 4.72035  0.070309  22.2931      0.663766 21.9066      0.938201 22.6805      0.939213 4.67803  0.100277  4.76002  0.0986565 
1 1 1 41 19 4  o 7.22339  0.0735069 52.2072      1.06194  53.2935      1.56321  51.2762      1.44711  7.29584  0.10713   7.15689  0.101099  
1 1 1 41 19 5  o 6.71388  0.0767945 45.1049      1.03118  46.0268      1.49196  44.2617      1.42684  6.77988  0.110028  6.64882  0.1073    
1 1 1 41 19 6  o 7.31816  0.0789551 53.5926      1.15561  53.3085      1.6198   53.8872      1.64916  7.29626  0.111002  7.33562  0.112408  
1 1 1 41 19 7  o 6.55199  0.0751029 42.9565      0.984147 44.5208      1.41019  41.4713      1.3741   6.66807  0.105742  6.43556  0.106758  
1 1 1 41 19 8  o 8.27465  0.0792821 68.5227      1.31206  68.3455      1.85899  68.6986      1.85211  8.2607   0.11252   8.28209  0.111814  
1 1 1 41 19 9  o 7.21035  0.0790891 52.032       1.14052  52.6742      1.60217  51.3722      1.62393  7.25187  0.110466  7.16137  0.113381  
1 1 1 41 19 10 o 1.66203  0.177007  2.77447      0.588381 4.26154      0.867911 1.50981      0.800378 2.05793  0.21087   1.19991  0.325354  
1 1 1 41 19 11 o 4.50441  0.0834992 20.3106      0.752229 19.9518      1.06328  20.6702      1.06435  4.46201  0.119148  4.54179  0.117173  
1 1 1 41 19 12 o 6.71337  0.0811246 45.1166      1.08924  44.7017      1.53039  45.5426      1.55064  6.67887  0.11457   6.74135  0.11501   
1 1 1 41 19 13 o 6.85456  0.0797361 47.0372      1.09311  46.2843      1.55421  47.7742      1.53771  6.79544  0.114357  6.90436  0.111358  
1 1 1 41 19 14 o 4.83231  0.0798653 23.3795      0.771868 23.2035      1.11058  23.5441      1.07354  4.81092  0.115423  4.84658  0.110752  
1 1 1 41 19 15 o 6.02864  0.0767529 36.3881      0.925432 35.0541      1.29621  37.7751      1.32168  5.91346  0.109598  6.13894  0.107647  
1 1 1 41 19 16 o 1.4963   0.186479  2.25592      0.558057 1.42816      0.795495 3.05803      0.783077 1.16501  0.327718  1.73918  0.225128  
1 1 1 41 19 17 o 5.15534  0.0785357 26.6174      0.809757 26.6881      1.13797  26.5449      1.15251  5.15844  0.110301  5.14434  0.112017  
1 1 1 41 19 18 o 2.08024  0.157805  4.35714      0.656544 4.43325      0.916731 4.277        0.940719 2.09184  0.21912   2.05341  0.229062  
1 1 1 41 19 19 o 3.98397  0.0946613 15.9146      0.754255 16.2883      1.07297  15.5494      1.0605   4.02525  0.13328   3.93265  0.134833  
1 1 1 41 19 20 o 1.44327  0.221565  2.11661      0.639557 1.75009      0.897694 2.49441      0.911402 1.27595  0.343937  1.5299   0.308681  
1 1 1 41 19 21 o 2.33164  0.153085  5.48242      0.713879 5.70106      1.0472   5.2926       0.975741 2.36678  0.221228  2.28173  0.213816  
1 1 1 41 19 22 o 0.945223 0.300155  0.914442     0.636474 -0.822058    0.859172 3.02642      0.947518 0.60346  0.282795  1.71506  0.276235  
1 1 1 41 19 23 o 2.45652  0.147061  6.08703      0.722519 6.70277      0.982053 5.36045      1.06679  2.56996  0.191064  2.29013  0.23291   
1 1 1 41 19 24 o 1.80794  0.191627  3.32859      0.692903 3.41238      0.936363 3.22717      1.03017  1.81758  0.257586  1.7594   0.292761  
1 1 1 41 19 25 f 2.20043  0.175811  4.92426      0.77372  4.38905      1.0091   5.68777      1.20526  2.06117  0.244789  2.34246  0.257263  
1 1 1 41 19 26 o 1.67465  0.218944  2.88511      0.733311 2.12745      0.99856  3.77202      1.08038  1.38048  0.358533  1.8964   0.284851  
1 1 1 41 19 27 o 4.6558   0.103814  21.8325      0.966672 22.1628      1.30969  21.4372      1.43274  4.67716  0.140009  4.59279  0.155977  
1 1 1 41 19 28 o 0.859025 0.32503   0.631107     0.7659   0.214197     1.06696  1.07431      1.10009  0.849092 0.360498  1.05495  0.391635  
1 1 1 41 19 29 o 1.38413  0.292022  2.11567      0.78322  2.17296      1.07396  2.05058      1.14471  1.37115  0.379155  1.32965  0.398929  
1 1 1 41 19 30 o 0.902848 0.335877  0.769463     0.809995 0.239884     1.0925   1.41593      1.20706  0.851534 0.363256  1.14175  0.411889  
1 1 1 41 19 31 o 2.24783  0.196644  5.28079      0.884045 5.90027      1.22632  4.61051      1.2756   2.33694  0.262377  2.0336   0.313631  
1 1 1 41 19 32 o 0.758134 0.324012  0.205207     0.872037 0.422621     1.2263   -0.0172038   1.24031  0.89714  0.383851  0.827688 0.368748  
1 1 1 41 19 33 o 0.862506 0.342843  0.690226     0.882937 0.216505     1.18082  1.29094      1.32972  0.832841 0.366547  1.06032  0.420967  
1 1 1 41 19 34 o 1.07769  0.352045  1.47528      0.871994 1.28122      1.15034  1.73741      1.33697  1.02172  0.395133  1.13127  0.429026  
1 1 1 41 19 35 o 0.951363 0.357879  1.1675       0.924649 -0.457446    1.3363   2.66022      1.28077  0.737599 0.347208  1.31795  0.426526  
1 1 1 41 19 36 o 1.15873  0.37185   1.97481      0.974953 2.75533      1.44249  1.3184       1.32285  1.2524   0.450422  0.963013 0.404753  
1 1 1 41 19 37 o 0.664082 0.307992  0.03398      0.978086 -0.753419    1.40739  0.76952      1.36026  0.665805 0.32469   0.813077 0.371472  
1 1 1 41 19 38 o 0.879386 0.358914  1.31532      0.999598 0.730229     1.47565  1.81146      1.35885  0.788028 0.369526  0.936033 0.402394  
1 1 1 41 20 0  o 4.55011  0.10409   20.7481      0.946119 20.7481      0.946119 20.7481      0.946119 4.55257  0.073519  ?        ?         
1 1 1 41 20 1  o 6.75056  0.0714781 45.5953      0.965035 44.7096      1.34006  46.5496      1.39089  6.68289  0.100261  6.81889  0.101988  
1 1 1 41 20 2  o 1.72317  0.143945  2.97604      0.496085 2.50361      0.679174 3.51635      0.726338 1.5783   0.21516   1.87135  0.194068  
1 1 1 41 20 3  o 5.55919  0.0682945 30.9206      0.759325 30.5901      1.05425  31.2768      1.09458  5.52805  0.0953548 5.5896   0.097912  
1 1 1 41 20 4  o 1.26079  0.225644  1.64733      0.548414 1.70665      0.805422 1.59606      0.748818 1.27415  0.316972  1.23259  0.305021  
1 1 1 41 20 5  o 6.79651  0.0757522 46.2232      1.0297   45.9263      1.48629  46.4972      1.4279   6.77215  0.109735  6.81454  0.104769  
1 1 1 41 20 6  o 4.40968  0.0808341 19.4607      0.712905 19.9437      1.00278  18.967       1.01371  4.46242  0.112358  4.35153  0.116478  
1 1 1 41 20 7  o 9.95114  0.0874701 99.1221      1.74085  101.112      2.50157  97.253       2.42414  10.0455  0.124512  9.85216  0.123026  
1 1 1 41 20 8  o 1.84873  0.162878  3.43016      0.602236 4.04119      0.841934 2.78996      0.861794 2.00426  0.210036  1.66274  0.259149  
1 1 1 41 20 9  o 6.66098  0.080003  44.409       1.0658   45.1972      1.47865  43.5567      1.5376   6.71707  0.110067  6.59335  0.116603  
1 1 1 41 20 10 o 3.35746  0.0961239 11.2881      0.645465 10.0577      0.911747 12.5244      0.913907 3.16643  0.143971  3.53452  0.129283  
1 1 1 41 20 11 o 3.22314  0.101934  10.4059      0.657097 9.47431      0.939994 11.2963      0.918916 3.07222  0.152983  3.3559   0.136911  
1 1 1 41 20 12 o 3.48812  0.0984075 12.1876      0.686514 11.4962      0.994497 12.8169      0.948866 3.38419  0.146933  3.57454  0.132725  
1 1 1 41 20 13 o 4.67497  0.0839312 21.8843      0.784752 20.8768      1.12384  22.8431      1.09629  4.56259  0.123158  4.77352  0.11483   
1 1 1 41 20 14 o 4.82797  0.0822028 23.3411      0.793745 21.8354      1.0626   25.2419      1.19388  4.66675  0.113848  5.017    0.118984  
1 1 1 41 20 15 o 5.03919  0.0742413 25.4234      0.748233 25.4775      1.08621  25.3746      1.03218  5.04131  0.107731  5.0317   0.102568  
1 1 1 41 20 16 o 1.21629  0.231257  1.54599      0.54225  1.43209      0.788589 1.64815      0.746828 1.16503  0.32583   1.24594  0.302345  
1 1 1 41 20 17 o 3.24073  0.102863  10.5319      0.666702 9.80101      0.913651 11.3643      0.975059 3.12183  0.146332  3.36177  0.145022  
1 1 1 41 20 18 o 2.56368  0.127222  6.60344      0.652316 6.39782      0.928442 6.80389      0.916699 2.51705  0.184431  2.59676  0.176508  
1 1 1 41 20 19 o 2.03024  0.152634  4.15226      0.619767 4.03614      0.88291  4.26506      0.870194 1.99347  0.221451  2.05051  0.212189  
1 1 1 41 20 20 o 3.37531  0.111795  11.4433      0.754685 11.7077      1.09811  11.2068      1.03892  3.40585  0.161209  3.33321  0.155844  
1 1 1 41 20 21 o 0.687325 0.287858  0.105287     0.665158 -0.337485    0.963781 0.508008     0.919157 0.727125 0.324468  0.889416 0.350979  
1 1 1 41 20 22 o 3.2164   0.117444  10.4019      0.755491 9.53344      1.03156  11.4066      1.10955  3.07043  0.167984  3.35918  0.165152  
1 1 1 41 20 23 o 2.3342   0.1507    5.5046       0.703527 5.344        0.942572 5.70661      1.05713  2.2898   0.20582   2.36216  0.223763  
1 1 1 41 20 24 o 1.57422  0.234998  2.54791      0.739879 1.99463      1.00729  3.19617      1.09032  1.34392  0.365259  1.71622  0.329403  
1 1 1 41 20 25 o 4.22897  0.105421  17.9991      0.891647 16.9099      1.22604  19.2218      1.29908  4.08559  0.150045  4.35628  0.149104  
1 1 1 41 20 26 o 2.68082  0.143779  7.27979      0.770888 7.62402      1.05688  6.88846      1.12688  2.72896  0.193642  2.58602  0.217879  
1 1 1 41 20 27 o 2.34298  0.169776  5.60369      0.795562 6.11158      1.0693   4.974        1.19064  2.43021  0.220002  2.17233  0.274046  
1 1 1 41 20 28 o 2.01231  0.200541  4.17377      0.807102 3.93325      1.12606  4.42788      1.15741  1.92115  0.293069  2.04249  0.283334  
1 1 1 41 20 29 o 1.22006  0.320811  1.68082      0.793254 2.72961      1.0858   0.48027      1.1617   1.54134  0.358646  0.922645 0.383024  
1 1 1 41 20 30 o 1.76854  0.236023  3.30923      0.834832 3.67759      1.13273  2.87124      1.23517  1.80066  0.326554  1.54416  0.397638  
1 1 1 41 20 31 o 1.92172  0.222085  3.91676      0.853573 4.24628      1.17913  3.55396      1.23723  1.95463  0.301625  1.72295  0.369708  
1 1 1 41 20 32 o 1.16127  0.337866  1.61719      0.831735 2.52191      1.15005  0.625042     1.20433  1.41318  0.392912  0.923777 0.387133  
1 1 1 41 20 33 o 0.945345 0.349357  1.02441      0.873414 1.79951      1.17584  0.0703473    1.30454  1.16472  0.407869  0.830245 0.373746  
1 1 1 41 20 34 o 1.30193  0.335111  2.14024      0.877553 1.23012      1.19881  3.19095      1.28809  1.00594  0.399605  1.51508  0.413607  
1 1 1 41 20 35 o 0.887007 0.352143  0.967949     0.930427 -0.673336    1.34009  2.4955       1.29283  0.707839 0.338324  1.24892  0.428598  
1 1 1 41 20 36 o 1.10214  0.374359  1.84576      0.986039 1.90435      1.48322  1.79935      1.31995  1.04805  0.433797  1.04129  0.417305  
1 1 1 41 20 37 o 0.649828 0.301643  0.0453798    0.940797 -0.913793    1.33567  0.989812     1.32537  0.631629 0.309934  0.824543 0.373642  
1 1 1 41 20 38 o 0.659073 0.310342  0.177395     1.06924  0.347424     1.45857  -0.0201284   1.57208  0.711411 0.343125  0.691951 0.338629  
1 1 1 41 21 0  o 15.2253  0.166135  232.264      5.05756  232.264      5.05756  232.264      5.05756  15.2327  0.117402  ?        ?         
1 1 1 41 21 1  f 3.5803   0.0845721 12.8292      0.605588 12.6935      0.843421 12.9737      0.870061 3.55987  0.118462  3.59883  0.120881  
1 1 1 41 21 2  o 8.27359  0.0751019 68.4979      1.24272  65.8521      1.77153  71.0613      1.74376  8.10921  0.109229  8.42445  0.103494  
1 1 1 41 21 3  o 4.98216  0.0734095 24.838       0.731476 25.3492      1.12836  24.4674      0.960681 5.03098  0.112141  4.94364  0.0971633 
1 1 1 41 21 4  o 6.11932  0.0766133 37.4733      0.937643 36.5385      1.34713  38.3518      1.30589  6.04005  0.111516  6.18861  0.105508  
1 1 1 41 21 5  o 1.4494   0.197681  2.11131      0.573039 1.54609      0.834397 2.61588      0.788361 1.21545  0.33337   1.61118  0.244654  
1 1 1 41 21 6  o 5.81099  0.0766486 33.7943      0.890808 34.6201      1.27046  32.9956      1.24939  5.87926  0.108046  5.73961  0.108839  
1 1 1 41 21 7  o 7.08747  0.0801597 50.2774      1.13626  50.3211      1.55673  50.2276      1.66228  7.08775  0.109819  7.08031  0.117388  
1 1 1 41 21 8  o 4.70687  0.085499  22.1782      0.804867 21.1465      1.09837  23.3746      1.18282  4.59373  0.119551  4.82943  0.122459  
1 1 1 41 21 9  o 6.76029  0.0789344 45.7449      1.06724  45.2094      1.4971   46.2983      1.52182  6.71737  0.111435  6.79773  0.111936  
1 1 1 41 21 10 o 3.37577  0.0972414 11.4134      0.656529 10.8473      0.966183 11.8989      0.894859 3.2877   0.146939  3.44471  0.129889  
1 1 1 41 21 11 o 8.12422  0.0830933 66.083       1.35014  66.6958      1.96838  65.5385      1.85538  8.15625  0.120667  8.08618  0.114726  
1 1 1 41 21 12 o 1.71718  0.170143  2.96481      0.584334 3.08863      0.834674 2.8458       0.818314 1.74807  0.238741  1.67756  0.2439    
1 1 1 41 21 13 o 3.63621  0.0893877 13.2433      0.650065 13.7596      0.906355 12.6962      0.932879 3.70385  0.122353  3.55705  0.131131  
1 1 1 41 21 14 o 4.38691  0.0847    19.2742      0.743143 19.1564      1.00364  19.4172      1.10567  4.37075  0.114814  4.3992   0.125667  
1 1 1 41 21 15 o 5.18067  0.0799759 26.8791      0.828657 26.6927      1.15632  27.0758      1.18812  5.15901  0.112068  5.1956   0.114339  
1 1 1 41 21 16 o 3.82306  0.0876204 14.6448      0.669955 14.6801      0.952921 14.6103      0.942092 3.82383  0.124603  3.81487  0.123476  
1 1 1 41 21 17 o 1.92774  0.15116   3.74038      0.582796 3.55938      0.82308  3.92236      0.82532  1.8739   0.219617  1.9683   0.209653  
1 1 1 41 21 18 o 5.81815  0.0819462 33.9208      0.953551 34.7982      1.29096  32.8674      1.41455  5.88809  0.109625  5.71952  0.12366   
1 1 1 41 21 19 f 2.0981   0.152374  4.43676      0.639391 4.5326       0.932329 4.35167      0.878537 2.11139  0.220786  2.07012  0.212195  
1 1 1 41 21 20 o 4.35553  0.100137  19.0389      0.872296 17.535       1.28125  20.3382      1.19092  4.16971  0.153638  4.49554  0.132456  
1 1 1 41 21 21 f 1.50985  0.226172  2.32447      0.682969 2.6943       0.966155 1.95508      0.965573 1.58604  0.315782  1.34176  0.354467  
1 1 1 41 21 22 o 3.71112  0.109563  13.8392      0.813202 13.5511      1.14601  14.1314      1.15411  3.6629   0.156435  3.74102  0.154251  
1 1 1 41 21 23 o 2.69183  0.138961  7.31596      0.748119 7.5862       1.06285  7.0506       1.05321  2.72865  0.194758  2.62916  0.200294  
1 1 1 41 21 24 o 4.10701  0.110676  16.9816      0.909091 15.8382      1.2631   18.2104      1.30945  3.95186  0.159811  4.23944  0.154437  
1 1 1 41 21 25 o 3.0605   0.127917  9.45841      0.782979 8.99616      1.0705   9.99018      1.14817  2.97053  0.180187  3.12925  0.183458  
1 1 1 41 21 26 o 2.74183  0.143985  7.621        0.789566 7.92513      1.08482  7.2784       1.15138  2.78019  0.195098  2.65668  0.216695  
1 1 1 41 21 27 o 1.01439  0.330222  1.10062      0.767234 1.30726      1.04931  0.863231     1.12468  1.1112   0.385663  1.00664  0.390412  
1 1 1 41 21 28 o 1.54582  0.275906  2.59811      0.822295 2.31831      1.13797  2.90385      1.18954  1.41389  0.389992  1.58725  0.379333  
1 1 1 41 21 29 o 1.85807  0.218383  3.60088      0.811543 4.14765      1.08654  2.91096      1.2205   1.97001  0.275769  1.57327  0.389464  
1 1 1 41 21 30 o 1.03225  0.338727  1.20277      0.807266 1.04429      1.10534  1.38392      1.18178  1.01776  0.388889  1.11276  0.406948  
1 1 1 41 21 31 o 0.652403 0.293633  -0.210437    0.804838 -1.22568     1.08819  1.01559      1.19583  0.625796 0.300489  1.01397  0.400269  
1 1 1 41 21 32 o 1.20651  0.341525  1.77706      0.861303 1.57032      1.21718  1.9844       1.21896  1.12627  0.412888  1.23488  0.416232  
1 1 1 41 21 33 o 0.966091 0.354731  1.10963      0.898745 0.657357     1.24044  1.60941      1.30397  0.905921 0.386783  1.10609  0.422461  
1 1 1 41 21 34 o 1.90458  0.237937  4.08575      0.906338 4.10313      1.35133  4.07154      1.22193  1.72181  0.399753  1.76762  0.358139  
1 1 1 41 21 35 o 0.827485 0.342531  0.751051     0.924885 1.32269      1.29824  0.161928     1.31795  0.969725 0.403884  0.789959 0.362883  
1 1 1 41 21 36 o 0.843566 0.351145  0.996509     0.980492 1.73484      1.44733  0.370243     1.33297  0.971039 0.416291  0.77442  0.359313  
1 1 1 41 21 37 o 0.872076 0.355883  1.21732      0.982658 0.603394     1.39917  1.81489      1.3804   0.784442 0.365563  0.954783 0.407844  
1 1 1 41 22 0  o 2.88889  0.135276  8.4102       0.777691 8.4102       0.777691 8.4102       0.777691 2.8945   0.0952257 ?        ?         
1 1 1 41 22 1  o 8.53455  0.0782881 72.8964      1.33631  72.6888      1.90523  73.0975      1.87479  8.51887  0.111824  8.54304  0.109726  
1 1 1 41 22 2  o 5.50979  0.0693693 30.377       0.764421 28.9061      1.08719  31.8151      1.07502  5.37283  0.101174  5.63713  0.0953522 
1 1 1 41 22 3  o 4.37432  0.0695315 19.147       0.608306 19.587       0.878217 18.7413      0.843388 4.4228   0.0992829 4.32637  0.0974707 
1 1 1 41 22 4  o 5.73395  0.0745557 32.9032      0.854997 32.6148      1.22167  33.1801      1.19701  5.70645  0.107043  5.75595  0.10398   
1 1 1 41 22 5  o 3.43182  0.0914385 11.7912      0.6276   12.0925      0.932627 11.5418      0.848454 3.47303  0.134267  3.39359  0.125008  
1 1 1 41 22 6  o 6.52534  0.078106  42.6175      1.01934  40.426       1.37659  45.2779      1.51669  6.35272  0.108346  6.72267  0.112804  
1 1 1 41 22 7  o 4.86364  0.0814394 23.6784      0.792183 24.4772      1.13417  22.9175      1.10695  4.94253  0.114736  4.78238  0.115732  
1 1 1 41 22 8  o 1.44757  0.204587  2.10923      0.592307 0.937417     0.852322 3.20367      0.823707 1.00612  0.347738  1.78235  0.231074  
1 1 1 41 22 9  o 1.64766  0.169891  2.72785      0.559843 2.43405      0.816137 2.98897      0.769402 1.52713  0.27745   1.72164  0.22345   
1 1 1 41 22 10 o 4.2886   0.0823708 18.4144      0.706511 18.4143      1.02742  18.4144      0.973105 4.28567  0.119867  4.28626  0.113515  
1 1 1 41 22 11 o 3.09855  0.101265  9.61977      0.627548 10.8342      0.915267 8.54233      0.862092 3.28548  0.13929   2.91667  0.147787  
1 1 1 41 22 12 f 0.664694 0.270241  0.179495     0.564487 1.04845      0.816935 -0.614481    0.780895 1.03322  0.340749  0.601212 0.277438  
1 1 1 41 22 13 o 2.36525  0.123817  5.61257      0.585719 5.23123      0.802386 6.04755      0.856971 2.27979  0.175978  2.45133  0.174797  
1 1 1 41 22 14 o 3.02805  0.10683   9.19308      0.646969 9.20189      0.869066 9.18212      0.968971 3.02633  0.143584  3.02133  0.160355  
1 1 1 41 22 15 o 2.73585  0.122664  7.51343      0.67118  8.1793       0.890483 6.63757      1.02129  2.85118  0.15616   2.56353  0.199196  
1 1 1 41 22 16 o 4.59485  0.0875065 21.158       0.804159 22.9395      1.17953  19.6108      1.09922  4.77941  0.123397  4.41891  0.124376  
1 1 1 41 22 17 o 3.60459  0.0933916 13.0272      0.673276 13.0423      0.918242 13.0097      0.990129 3.60262  0.127441  3.59666  0.137646  
1 1 1 41 22 18 o 2.23537  0.131985  5.02545      0.590072 4.81529      0.844656 5.22579      0.824679 2.18082  0.193656  2.2736   0.18136   
1 1 1 41 22 19 o 1.65895  0.191494  2.78852      0.635358 1.19314      0.908729 4.31424      0.888671 1.08623  0.359384  2.05976  0.215722  
1 1 1 41 22 20 o 4.41     0.0941765 19.5116      0.830637 17.6486      1.12308  21.7614      1.23416  4.18708  0.134113  4.64975  0.132712  
1 1 1 41 22 21 o 2.69733  0.1311    7.3255       0.70724  7.35202      1.02813  7.30167      0.974411 2.69182  0.190972  2.68446  0.181491  
1 1 1 41 22 22 o 0.971961 0.308353  0.980314     0.671831 1.98377      0.943934 -0.0498527   0.956414 1.34557  0.348178  0.772357 0.334877  
1 1 1 41 22 23 o 4.95564  0.0961025 24.6754      0.952499 25.366       1.34832  23.9873      1.34576  5.0131   0.134479  4.87374  0.138062  
1 1 1 41 22 24 o 0.8423   0.319698  0.573163     0.742898 -0.012382    1.02183  1.22967      1.08198  0.799071 0.346296  1.10696  0.390893  
1 1 1 41 22 25 o 4.54326  0.102466  20.7769      0.931064 19.6482      1.31337  21.9173      1.3201   4.40172  0.149189  4.65203  0.141884  
1 1 1 41 22 26 o 0.863865 0.320968  0.663991     0.739219 0.479304     1.02161  0.866954     1.07096  0.893531 0.36346   0.998514 0.382428  
1 1 1 41 22 27 o 3.5254   0.128049  12.5837      0.902845 13.2462      1.289    11.9457      1.26497  3.59572  0.17924   3.41182  0.185381  
1 1 1 41 22 28 o 2.13371  0.199748  4.71155      0.852409 5.55742      1.16151  3.72425      1.25487  2.29421  0.25314   1.80712  0.359964  
1 1 1 41 22 29 o 1.10818  0.336368  1.39935      0.810672 0.544084     1.10924  2.37989      1.18771  0.913643 0.376351  1.40651  0.401985  
1 1 1 41 22 30 o 0.583604 0.273588  -0.648286    0.806781 -0.110419    1.10613  -1.25968     1.17931  0.779662 0.347767  0.657418 0.31498   
1 1 1 41 22 31 o 1.21057  0.329262  1.73992      0.818161 1.74348      1.12561  1.73594      1.19128  1.18808  0.399978  1.1849   0.410957  
1 1 1 41 22 32 o 1.17142  0.3388    1.69156      0.838771 0.830566     1.18933  2.54354      1.18309  0.943631 0.389372  1.38652  0.402818  
1 1 1 41 22 33 o 1.23335  0.343664  1.93604      0.878871 0.469602     1.26156  3.31887      1.22507  0.872883 0.381547  1.58079  0.3895    
1 1 1 41 22 34 o 0.776897 0.332131  0.46784      0.916782 0.644898     1.23041  0.246856     1.37459  0.862605 0.376933  0.826109 0.376199  
1 1 1 41 22 35 o 0.727457 0.322737  0.26858      0.939354 0.722045     1.29625  -0.232913    1.36317  0.859386 0.380465  0.746306 0.351124  
1 1 1 41 22 36 o 0.626856 0.294835  -0.204417    0.959725 0.256827     1.3325   -0.701599    1.38344  0.746862 0.350388  0.664866 0.323815  
1 1 1 41 22 37 o 0.551131 0.269377  -0.876252    0.986661 -0.893283    1.34924  -0.856676    1.44654  0.628903 0.309529  0.647846 0.319112  
1 1 1 41 23 0  o 0.734793 0.38447   0.798905     0.733938 0.798905     0.733938 0.798905     0.733938 0.74085  0.331383  ?        ?         
1 1 1 41 23 1  o 4.21323  0.0774268 17.7663      0.652434 17.2434      0.916922 18.3026      0.928549 4.14892  0.110501  4.27458  0.108613  
1 1 1 41 23 2  o 7.1977   0.0706105 51.8436      1.01647  51.8247      1.46615  51.8611      1.41047  7.1936   0.101906  7.19652  0.0979965 
1 1 1 41 23 3  f 6.04111  0.0682629 36.5195      0.824767 36.2591      1.16037  36.7854      1.17252  6.01749  0.0964162 6.06098  0.0967269 
1 1 1 41 23 4  o 1.77455  0.152861  3.15983      0.542519 3.25879      0.777935 3.06613      0.75697  1.79899  0.216214  1.74496  0.216901  
1 1 1 41 23 5  o 4.183    0.0801657 17.5144      0.670667 17.9841      0.952297 17.0522      0.944681 4.2367   0.112387  4.12532  0.114498  
1 1 1 41 23 6  o 3.29372  0.0951449 10.8639      0.626762 12.0082      0.895384 9.7646       0.877634 3.46072  0.129364  3.11997  0.140648  
1 1 1 41 23 7  o 6.38893  0.0764654 40.8575      0.977064 41.6596      1.3869   40.0671      1.37671  6.44827  0.107541  6.32367  0.108854  
1 1 1 41 23 8  f 6.69472  0.0786945 44.8672      1.05367  43.9708      1.4983   45.7444      1.48207  6.62367  0.113102  6.75639  0.109679  
1 1 1 41 23 9  o 1.42292  0.197532  2.03912      0.562146 1.62836      0.814205 2.41329      0.777083 1.24132  0.324383  1.54456  0.251555  
1 1 1 41 23 10 o 6.81966  0.0783333 46.563       1.06841  47.4469      1.55415  45.7709      1.47119  6.8797   0.112952  6.75769  0.108853  
1 1 1 41 23 11 o 2.91296  0.109085  8.5058       0.635519 7.76069      0.874689 9.33897      0.924934 2.77886  0.157383  3.0489   0.151683  
1 1 1 41 23 12 f 4.8395   0.0810967 23.4534      0.784934 24.08        1.08097  22.7544      1.14165  4.90087  0.110283  4.76297  0.119846  
1 1 1 41 23 13 o 2.69419  0.115861  7.28096      0.624301 7.33154      0.852968 7.22261      0.91621  2.7      0.157957  2.67856  0.171027  
1 1 1 41 23 14 o 1.46943  0.205364  2.18212      0.603538 1.74503      0.799616 2.7608       0.920066 1.2802   0.314214  1.62001  0.294874  
1 1 1 41 23 15 o 5.73401  0.0892464 32.9517      1.02348  34.5524      1.46736  31.435       1.42827  5.86551  0.125084  5.59416  0.127658  
1 1 1 41 23 16 o 0.573054 0.242465  0.02894      0.479953 0.828582     0.76877  -0.481807    0.6144   0.943694 0.329859  0.532897 0.245981  
1 1 1 41 23 17 o 6.13401  0.0855391 37.7143      1.0494   40.0085      1.48702  35.4382      1.48114  6.31103  0.117811  5.93803  0.124716  
1 1 1 41 23 18 o 2.90419  0.109239  8.47025      0.6345   8.15987      0.905259 8.76998      0.889583 2.84363  0.159173  2.94939  0.150808  
1 1 1 41 23 19 o 1.40821  0.223697  2.01849      0.630022 1.79069      0.915501 2.22342      0.868339 1.28807  0.347389  1.43998  0.310371  
1 1 1 41 23 20 o 2.26917  0.149669  5.19474      0.679249 4.8901       1.00784  5.44829      0.919443 2.18854  0.230254  2.31619  0.198482  
1 1 1 41 23 21 o 2.52047  0.140964  6.40653      0.71059  5.964        1.0302   6.80814      0.98142  2.41871  0.212966  2.58936  0.18951   
1 1 1 41 23 22 o 1.44325  0.229506  2.13821      0.662467 1.83117      0.930611 2.45366      0.943257 1.29151  0.35111   1.50102  0.323443  
1 1 1 41 23 23 o 2.53026  0.150511  6.48368      0.761665 7.05258      1.02979  5.79659      1.13172  2.62735  0.195976  2.36979  0.238781  
1 1 1 41 23 24 o 2.63231  0.14588   7.01786      0.768002 7.29033      1.08374  6.74298      1.08851  2.66698  0.203178  2.562    0.212434  
1 1 1 41 23 25 o 0.886164 0.318657  0.738872     0.72195  1.49146      1.0166   -0.0268609   1.02544  1.16985  0.380116  0.793443 0.345425  
1 1 1 41 23 26 o 1.14627  0.31797   1.45945      0.754034 0.668594     1.03568  2.35149      1.09995  0.939721 0.372013  1.43213  0.378323  
1 1 1 41 23 27 o 1.12449  0.329859  1.40727      0.789627 0.0609547    1.1029   2.82314      1.13103  0.829793 0.359693  1.57188  0.366226  
1 1 1 41 23 28 o 2.1909   0.187129  4.94877      0.819961 6.28226      1.126    3.44335      1.19639  2.44965  0.22983   1.73586  0.356852  
1 1 1 41 23 29 o 0.865372 0.32761   0.695473     0.778457 0.725522     1.09055  0.664254     1.11156  0.941592 0.378496  0.932273 0.379156  
1 1 1 41 23 30 o 1.59469  0.254953  2.75005      0.813144 2.1284       1.13198  3.41282      1.16882  1.31108  0.397382  1.69522  0.356057  
1 1 1 41 23 31 o 0.595937 0.278996  -0.58243     0.828727 -1.75574     1.15832  0.647986     1.18617  0.595708 0.291329  0.920051 0.384808  
1 1 1 41 23 32 o 2.01624  0.223362  4.43436      0.900703 4.96077      1.24066  3.84771      1.30972  2.06391  0.300561  1.71689  0.390176  
1 1 1 41 23 33 o 0.768907 0.326605  0.395649     0.87648  0.346015     1.27599  0.439988     1.20603  0.845379 0.375462  0.847578 0.371749  
1 1 1 41 23 34 o 1.2448   0.35723   2.16892      0.93608  2.36425      1.29575  1.95569      1.35379  1.20712  0.427616  1.10169  0.428117  
1 1 1 41 23 35 o 0.602345 0.288182  -0.610492    0.978326 -0.0259694   1.32736  -1.30568     1.44757  0.748141 0.350758  0.65762  0.322677  
1 1 1 41 23 36 o 0.542795 0.267218  -1.06931     1.00667  -2.0873      1.34843  0.212391     1.51304  0.558042 0.279378  0.747913 0.35796   
1 1 1 41 23 37 f 0.667684 0.311745  0.31832      1.02367  0.629729     1.47835  0.0314742    1.41885  0.732581 0.351394  0.677726 0.329539  
1 1 1 41 24 0  o 3.65219  0.115274  13.3917      0.840106 13.3917      0.840106 13.3917      0.840106 3.65583  0.0813372 ?        ?         
1 1 1 41 24 1  o 6.47989  0.0737573 42.0237      0.955878 41.5966      1.32802  42.4828      1.37694  6.44429  0.103038  6.51229  0.105719  
1 1 1 41 24 2  o 7.13354  0.0699014 50.9255      0.997288 49.8378      1.39618  52.0586      1.42502  7.05423  0.0989604 7.2097   0.0988266 
1 1 1 41 24 3  o 2.11486  0.108305  4.48083      0.458102 4.41449      0.593396 4.57871      0.720713 2.09776  0.141436  2.13499  0.168786  
1 1 1 41 24 4  o 5.25603  0.077249  27.6523      0.812047 28.8932      1.13642  26.3576      1.16078  5.37038  0.105805  5.12866  0.113166  
1 1 1 41 24 5  o 4.65553  0.0802274 21.697       0.747001 21.732       1.04719  21.6607      1.0659   4.65685  0.112435  4.64901  0.114637  
1 1 1 41 24 6  o 2.97048  0.102991  8.8399       0.611863 9.24048      0.862028 8.43317      0.868619 3.03451  0.142038  2.89835  0.149847  
1 1 1 41 24 7  o 4.81038  0.0789612 23.1656      0.759666 22.8306      1.04634  23.5391      1.10469  4.77296  0.109611  4.84603  0.113979  
1 1 1 41 24 8  o 5.37261  0.0798779 28.8996      0.858305 27.7862      1.20838  30.0332      1.21935  5.26474  0.114762  5.47386  0.111379  
1 1 1 41 24 9  o 3.93916  0.0902913 15.5421      0.711344 16.0357      1.01855  15.072       0.993891 3.99807  0.12738   3.87598  0.128212  
1 1 1 41 24 10 o 2.23824  0.137349  5.02912      0.614839 4.3701       0.877352 5.6651       0.861882 2.08106  0.210794  2.37217  0.181665  
1 1 1 41 24 11 o 2.70599  0.112455  7.34225      0.608604 7.31329      0.825803 7.37668      0.900423 2.69759  0.153063  2.70804  0.16625   
1 1 1 41 24 12 o 2.16138  0.13779   4.692        0.595634 3.39814      0.794062 6.35666      0.900684 1.83354  0.216538  2.51197  0.179278  
1 1 1 41 24 13 o 4.44393  0.0831439 19.7829      0.738973 18.9827      1.03558  20.6131      1.05482  4.34919  0.119054  4.53248  0.116362  
1 1 1 41 24 14 o 1.27075  0.237831  1.69127      0.58207  1.93674      0.791208 1.40171      0.859351 1.34932  0.300936  1.15675  0.345364  
1 1 1 41 24 15 o 3.36527  0.101131  11.3591      0.680664 11.1778      0.913629 11.5853      1.0204   3.33417  0.13701   3.39251  0.150391  
1 1 1 41 24 16 o 1.9152   0.16392   3.69916      0.627879 2.74854      0.853943 4.8179       0.926386 1.64024  0.260311  2.17932  0.21254   
1 1 1 41 24 17 o 1.66722  0.165726  2.80619      0.552602 2.76063      0.833316 2.84195      0.73828  1.64308  0.253584  1.67156  0.220835  
1 1 1 41 24 18 o 2.08048  0.142612  4.35996      0.593403 3.86857      0.847793 4.83191      0.830861 1.95027  0.217352  2.18391  0.190223  
1 1 1 41 24 19 o 4.02983  0.0944026 16.295       0.760852 14.9237      1.05096  17.8054      1.10293  3.84934  0.136512  4.20575  0.131122  
1 1 1 41 24 20 o 0.662765 0.281115  0.0467737    0.647769 -0.229697    0.934729 0.302235     0.898512 0.732506 0.323842  0.829308 0.339678  
1 1 1 41 24 21 o 4.15237  0.0977662 17.3241      0.811923 15.7745      1.14033  18.9174      1.15631  3.95148  0.144291  4.33043  0.133509  
1 1 1 41 24 22 o 3.7636   0.107684  14.2517      0.810561 14.2753      1.10998  14.2247      1.18645  3.75655  0.147739  3.74669  0.158333  
1 1 1 41 24 23 o 0.886444 0.320565  0.721987     0.73153  0.690161     0.993029 0.759752     1.08173  0.944107 0.366708  0.983905 0.382619  
1 1 1 41 24 24 o 1.85243  0.200905  3.51911      0.744323 3.57953      1.03946  3.45553      1.06631  1.8458   0.281576  1.80941  0.294658  
1 1 1 41 24 25 o 2.05263  0.184525  4.31699      0.757521 4.36476      1.06064  4.26726      1.08228  2.0401   0.259949  2.01399  0.26869   
1 1 1 41 24 26 o 3.41817  0.129165  11.8325      0.883019 11.5187      1.25927  12.1361      1.23854  3.34905  0.188005  3.44142  0.179946  
1 1 1 41 24 27 o 2.52515  0.167708  6.53311      0.846978 7.98551      1.16679  4.91529      1.23144  2.77293  0.210389  2.1413   0.287545  
1 1 1 41 24 28 o 0.582625 0.272241  -0.615226    0.782572 -0.52864     1.10772  -0.701501    1.10573  0.727488 0.333556  0.703263 0.326666  
1 1 1 41 24 29 o 3.19019  0.140788  10.4185      0.898282 10.5346      1.26216  10.2993      1.27873  3.17173  0.19897   3.13243  0.204111  
1 1 1 41 24 30 o 2.36395  0.181132  5.83191      0.856375 5.81103      1.21494  5.85253      1.20729  2.30619  0.26341   2.3165   0.260583  
1 1 1 41 24 31 o 0.74016  0.313614  0.271587     0.804817 0.544671     1.08878  -0.0573753   1.19499  0.870839 0.366663  0.792525 0.357185  
1 1 1 41 24 32 o 0.833664 0.334651  0.657376     0.850859 0.892233     1.19821  0.418485     1.20845  0.942345 0.389962  0.856421 0.373898  
1 1 1 41 24 33 o 0.612791 0.284712  -0.353464    0.840606 -0.247607    1.22069  -0.448937    1.15928  0.737907 0.342939  0.697394 0.327116  
1 1 1 41 24 34 o 2.34413  0.224227  6.25905      1.05124  5.84469      1.44346  6.72703      1.53402  2.10087  0.343538  2.26071  0.339279  
1 1 1 41 24 35 o 0.68891  0.314863  0.171286     0.9783   -0.216088    1.30896  0.661489     1.47248  0.702669 0.335499  0.816946 0.378508  
1 1 1 41 24 36 o 0.812121 0.349363  0.930817     1.0255   -0.2893      1.44696  2.1622       1.45362  0.702716 0.339547  1.00694  0.423802  
1 1 1 41 25 0  o 9.7673   0.116907  95.55        2.283    95.55        2.283    95.55        2.283    9.77111  0.0826202 ?        ?         
1 1 1 41 25 1  o 9.1847   0.0802977 84.45        1.47502  84.997       2.11535  83.9324      2.05783  9.20911  0.114851  9.15169  0.112429  
1 1 1 41 25 2  f 6.07296  0.0689914 36.9107      0.837964 36.1473      1.15302  37.7652      1.21992  6.00754  0.0959648 6.14016  0.0993398 
1 1 1 41 25 3  o 5.28623  0.077614  27.9733      0.820571 28.3227      1.14613  27.6059      1.17535  5.31653  0.107789  5.24841  0.111972  
1 1 1 41 25 4  o 11.8234  0.0999491 140.04       2.36348  140.336      3.4737   139.784      3.22506  11.8237  0.146896  11.8035  0.136615  
1 1 1 41 25 5  o 4.0792   0.0847053 16.6615      0.691059 17.2811      1.00708  16.1102      0.95002  4.15149  0.121292  4.00862  0.118497  
1 1 1 41 25 6  o 2.31996  0.128388  5.39889      0.59571  5.54609      0.846847 5.25471      0.838143 2.34784  0.180346  2.28509  0.183394  
1 1 1 41 25 7  o 5.02389  0.0789673 25.2703      0.793446 26.4724      1.14954  24.1765      1.09653  5.13885  0.111848  4.91098  0.111641  
1 1 1 41 25 8  o 3.41132  0.0972323 11.6593      0.663381 12.3811      0.949236 10.9703      0.927467 3.51223  0.135133  3.30561  0.140287  
1 1 1 41 25 9  o 3.76488  0.0911077 14.1988      0.686018 14.1308      0.978066 14.2647      0.962475 3.75249  0.130322  3.77051  0.127632  
1 1 1 41 25 10 o 1.62803  0.17575   2.66841      0.572252 3.40862      0.836707 2.01786      0.784397 1.83589  0.227875  1.3821   0.292721  
1 1 1 41 25 11 o 2.10659  0.130878  4.45552      0.551413 4.92959      0.761648 3.93335      0.799351 2.21262  0.172114  1.97383  0.202487  
1 1 1 41 25 12 o 5.67734  0.0788006 32.2829      0.894755 32.2893      1.2488   32.2763      1.28262  5.67368  0.110052  5.67206  0.113065  
1 1 1 41 25 13 o 2.76475  0.110448  7.66966      0.610719 7.66597      0.840746 7.67377      0.888616 2.75997  0.152311  2.76035  0.16096   
1 1 1 41 25 14 o 5.20932  0.0856517 27.1955      0.892374 28.033       1.21644  26.2197      1.31311  5.2844   0.115097  5.10821  0.12853   
1 1 1 41 25 15 o 3.52457  0.105979  12.4663      0.747056 11.2881      0.964831 14.2301      1.18049  3.34882  0.144056  3.75766  0.157078  
1 1 1 41 25 16 o 2.20033  0.147399  4.87746      0.648653 5.78626      0.898718 3.88925      0.937157 2.39092  0.187944  1.95279  0.239954  
1 1 1 41 25 17 o 2.20168  0.120388  4.87266      0.530113 4.80345      0.806584 4.92529      0.703359 2.1782   0.18515   2.20918  0.15919   
1 1 1 41 25 18 o 0.774086 0.281661  0.513311     0.565507 0.770399     0.846987 0.306523     0.759623 0.940932 0.344475  0.779801 0.314884  
1 1 1 41 25 19 o 0.658007 0.276359  0.0860056    0.615965 -0.553701    0.911142 0.624452     0.835924 0.667323 0.304531  0.893267 0.3391    
1 1 1 41 25 20 o 1.2671   0.25628   1.70934      0.62676  1.85475      0.889674 1.56607      0.883108 1.30356  0.338358  1.20268  0.347574  
1 1 1 41 25 21 o 1.84194  0.183397  3.45078      0.675612 2.59567      1.01199  4.13835      0.907455 1.53972  0.337837  2.00838  0.225918  
1 1 1 41 25 22 o 3.20415  0.129629  10.3653      0.830703 10.3438      1.15739  10.3881      1.19301  3.18613  0.181629  3.1912   0.186921  
1 1 1 41 25 23 f 3.10421  0.131399  9.73763      0.815782 10.4603      1.11001  8.8889       1.20297  3.20484  0.173177  2.94391  0.204315  
1 1 1 41 25 24 o 0.930501 0.32081   0.868863     0.725047 1.16348      1.03991  0.590163     1.01143  1.0749   0.382849  0.919229 0.366454  
1 1 1 41 25 25 o 1.42614  0.273365  2.20838      0.7519   1.96275      1.06629  2.4513       1.06043  1.31137  0.382879  1.46754  0.362866  
1 1 1 41 25 26 f 3.37507  0.133109  11.5515      0.898506 12.1066      1.24911  10.9564      1.2934   3.4346   0.181842  3.25944  0.198409  
1 1 1 41 25 27 o 2.68535  0.157569  7.3695       0.846256 8.30004      1.18965  6.4163       1.20405  2.82593  0.210488  2.4687   0.243864  
1 1 1 41 25 28 o 1.02318  0.333835  1.17489      0.784118 1.81891      1.10915  0.531428     1.10867  1.23357  0.396692  0.904486 0.374752  
1 1 1 41 25 29 o 2.02456  0.20704   4.31781      0.838333 4.9522       1.20549  3.72367      1.16662  2.12111  0.284166  1.78695  0.338716  
1 1 1 41 25 30 o 0.802636 0.322818  0.512771     0.793919 -0.548692    1.11891  1.58902      1.12667  0.70936  0.329155  1.13648  0.399129  
1 1 1 41 25 31 o 0.605838 0.28094   -0.427635    0.81346  -0.108903    1.10225  -0.808866    1.20548  0.751111 0.340535  0.691566 0.326878  
1 1 1 41 25 32 o 1.03212  0.343384  1.34453      0.829616 1.96912      1.16611  0.704397     1.18053  1.19109  0.40711   0.895608 0.37967   
1 1 1 41 25 33 o 0.795946 0.336483  0.576031     0.923028 0.110442     1.314    1.02957      1.29689  0.791572 0.363085  0.927996 0.395823  
1 1 1 41 25 34 o 1.20313  0.386527  2.21295      1.05322  0.845477     1.4334   3.81756      1.55271  0.885193 0.395333  1.46126  0.469302  
1 1 1 41 25 35 o 0.634424 0.299468  -0.208019    1.00747  -1.13565     1.37889  0.854246     1.47557  0.627866 0.309236  0.821011 0.379822  
1 1 1 41 25 36 o 0.867587 0.361578  1.32276      1.04155  1.12097      1.57066  1.48114      1.39151  0.820921 0.384282  0.869059 0.388783  
1 1 1 41 26 0  f 3.28137  0.121547  10.8262      0.795198 10.8262      0.795198 10.8262      0.795198 3.28586  0.0856938 ?        ?         
1 1 1 41 26 1  o 3.34119  0.0863566 11.1789      0.577067 11.0493      0.797901 11.321       0.835596 3.31962  0.12018   3.35988  0.124349  
1 1 1 41 26 2  o 6.00699  0.0710288 36.1178      0.853338 37.6128      1.22149  34.6926      1.19264  6.12726  0.0996764 5.88441  0.101339  
1 1 1 41 26 3  o 6.1321   0.0769915 37.6447      0.944239 37.0693      1.34905  38.1973      1.32207  6.08139  0.110916  6.17372  0.107073  
1 1 1 41 26 4  o 5.87002  0.0759634 34.4955      0.891813 35.0224      1.31421  34.0458      1.21415  5.91093  0.111168  5.82878  0.104151  
1 1 1 41 26 5  o 1.70787  0.161947  2.93198      0.553171 3.2534       0.79422  2.62915      0.770903 1.79507  0.221223  1.61239  0.239056  
1 1 1 41 26 6  o 4.35263  0.0796108 18.9697      0.693033 19.3742      0.986533 18.5755      0.973785 4.39605  0.112207  4.30439  0.113115  
1 1 1 41 26 7  o 4.92125  0.0783459 24.2496      0.77112  23.7865      1.06876  24.7524      1.11368  4.8711   0.109704  4.96875  0.112069  
1 1 1 41 26 8  o 6.68633  0.0762817 44.7627      1.02009  44.4961      1.42108  45.0461      1.46518  6.66249  0.106647  6.70314  0.109291  
1 1 1 41 26 9  o 3.45913  0.0882807 11.9866      0.610749 10.8225      0.85067  13.2251      0.877409 3.28357  0.129534  3.63068  0.120833  
1 1 1 41 26 10 o 2.4238   0.109945  5.89185      0.53297  5.19948      0.717564 6.74383      0.795989 2.27346  0.157813  2.58957  0.153692  
1 1 1 41 26 11 f 1.96479  0.136843  3.87911      0.537734 3.11087      0.735837 4.75959      0.787757 1.75385  0.209777  2.17247  0.181304  
1 1 1 41 26 12 o 0.893389 0.273934  0.817862     0.535841 0.710417     0.734598 0.940036     0.783334 0.896989 0.321547  0.985744 0.333668  
1 1 1 41 26 13 o 3.59627  0.0917944 12.9653      0.660235 12.4918      0.912234 13.4861      0.956785 3.52574  0.129368  3.66321  0.130594  
1 1 1 41 26 14 o 5.10103  0.0874255 26.0828      0.891921 27.0888      1.19619  24.8232      1.33851  5.19384  0.115154  4.96809  0.134711  
1 1 1 41 26 15 o 3.41903  0.101403  11.7305      0.693398 11.7538      0.921391 11.7002      1.05295  3.41775  0.134795  3.40663  0.154544  
1 1 1 41 26 16 o 1.71346  0.183647  2.97161      0.629344 3.22934      0.872199 2.69167      0.908995 1.77775  0.24531   1.59185  0.29657   
1 1 1 41 26 17 o 0.719164 0.288177  0.276301     0.629356 -0.153103    0.851731 0.792709     0.934041 0.712917 0.312549  0.970176 0.360728  
1 1 1 41 26 18 o 1.72662  0.164893  3.0134       0.569415 2.71105      0.854874 3.25452      0.763414 1.62427  0.263156  1.78787  0.213498  
1 1 1 41 26 19 o 1.91756  0.164816  3.72037      0.63209  3.51968      0.90518  3.91138      0.883051 1.85211  0.244365  1.9561   0.225717  
1 1 1 41 26 20 o 0.645068 0.273576  0.0521517    0.613372 0.11781      0.857587 -0.0166127   0.877639 0.76702  0.324299  0.746171 0.322118  
1 1 1 41 26 21 o 0.642817 0.281372  -0.102932    0.688045 0.919568     0.991187 -1.05384     0.955858 1.00689  0.372154  0.612794 0.290318  
1 1 1 41 26 22 o 1.92538  0.189357  3.78593      0.729167 3.27281      1.01514  4.33285      1.04804  1.76629  0.287365  2.04199  0.256623  
1 1 1 41 26 23 o 4.18723  0.105617  17.6592      0.884489 17.0317      1.24119  18.3066      1.26075  4.0965   0.151494  4.24832  0.148383  
1 1 1 41 26 24 o 2.04941  0.186393  4.30806      0.763994 4.07951      1.04216  4.57359      1.1233   1.96963  0.264557  2.08354  0.269565  
1 1 1 41 26 25 o 3.99972  0.115935  16.1621      0.927417 17.451       1.30393  14.8426      1.31934  4.13831  0.157544  3.80913  0.173181  
1 1 1 41 26 26 o 2.64973  0.162106  7.18254      0.859073 8.70263      1.22296  5.70183      1.20702  2.89419  0.211279  2.32034  0.260095  
1 1 1 41 26 27 o 1.57632  0.254656  2.64634      0.802838 4.38867      1.19741  1.22343      1.0821   2.00787  0.298179  1.07259  0.389684  
1 1 1 41 26 28 o 0.912654 0.328957  0.864564     0.769776 1.93396      1.0704   -0.280896    1.10782  1.26255  0.38718   0.754378 0.341737  
1 1 1 41 26 29 o 0.817661 0.323346  0.559266     0.781654 0.815261     1.10688  0.304611     1.10398  0.950843 0.381691  0.844813 0.362922  
1 1 1 41 26 30 o 1.58425  0.253925  2.7659       0.80456  3.5297       1.10084  1.89009      1.1788   1.71681  0.332472  1.2056   0.409318  
1 1 1 41 26 31 o 1.79179  0.239671  3.55623      0.858884 3.93216      1.19559  3.15534      1.23464  1.77675  0.34889   1.53517  0.39865   
1 1 1 41 26 32 o 0.929716 0.345238  1.07044      0.854992 1.98146      1.17623  0.0498       1.24498  1.16681  0.407999  0.785971 0.357948  
1 1 1 41 26 33 o 1.3849   0.353069  2.65065      0.981081 1.76109      1.35056  3.64454      1.42756  1.05503  0.422405  1.49539  0.44486   
1 1 1 41 26 34 o 0.625354 0.298366  -0.443381    1.03043  0.450586     1.46471  -1.31935     1.4499   0.802743 0.374067  0.645132 0.31775   
1 1 1 41 26 35 o 0.4692   0.236624  -2.23288     1.02411  -2.5024      1.43264  -1.95125     1.46451  0.556692 0.280608  0.590942 0.295444  
1 1 1 41 26 36 o 0.671736 0.314714  0.39363      1.06168  0.158181     1.57962  0.587624     1.43383  0.687737 0.337333  0.712937 0.342961  
1 1 1 41 27 0  f 1.45704  0.281384  2.35927      0.730906 2.35927      0.730906 2.35927      0.730906 1.50316  0.177529  ?        ?         
1 1 1 41 27 1  o 5.86578  0.0697975 34.4409      0.818833 35.0605      1.18672  33.8778      1.13128  5.91527  0.10031   5.81499  0.0972726 
1 1 1 41 27 2  o 3.1213   0.0827015 9.75591      0.516273 10.0017      0.718299 9.49324      0.742544 3.15846  0.11371   3.07663  0.120675  
1 1 1 41 27 3  o 8.46105  0.0817766 71.6865      1.38383  70.5665      1.93937  72.8483      1.97518  8.38907  0.115589  8.52357  0.115866  
1 1 1 41 27 4  o 7.80695  0.0807506 61.0301      1.26083  59.4843      1.8559   62.3551      1.71822  7.70118  0.120495  7.88696  0.108928  
1 1 1 41 27 5  o 3.68574  0.0887423 13.6071      0.654162 13.4595      0.931853 13.7504      0.91854  3.66257  0.127213  3.70224  0.124052  
1 1 1 41 27 6  o 2.21886  0.129986  4.94118      0.576841 3.93501      0.798112 6.04163      0.834667 1.97512  0.202042  2.45041  0.170312  
1 1 1 41 27 7  o 8.44349  0.0863091 71.4111      1.4575   69.2591      2.14026  73.2722      1.99033  8.30689  0.128824  8.54704  0.116434  
1 1 1 41 27 8  o 3.08984  0.0968456 9.56808      0.598475 9.13833      0.867777 9.95789      0.826475 3.01567  0.143878  3.14927  0.131217  
1 1 1 41 27 9  f 2.39006  0.104385  5.72785      0.498973 5.70571      0.6652   5.75634      0.754519 2.38291  0.139577  2.39187  0.157725  
1 1 1 41 27 10 o 5.70081  0.073761  32.5464      0.840994 31.4566      1.1701   33.7109      1.20957  5.60053  0.104463  5.79776  0.104314  
1 1 1 41 27 11 o 4.34586  0.079464  18.9202      0.690679 18.1138      0.948982 19.8285      1.00715  4.2486   0.111682  4.44493  0.113291  
1 1 1 41 27 12 o 3.16676  0.0984622 10.0573      0.623613 10.607       0.881678 9.50692      0.882166 3.24801  0.135726  3.07399  0.143489  
1 1 1 41 27 13 o 1.76317  0.157949  3.13317      0.556984 3.43896      0.755195 2.76843      0.824786 1.84221  0.20497   1.64757  0.250304  
1 1 1 41 27 14 o 5.59389  0.0879667 31.3738      0.984152 32.3233      1.37762  30.3841      1.40643  5.67104  0.121461  5.49678  0.127932  
1 1 1 41 27 15 o 1.20218  0.264147  1.53737      0.617859 1.35285      0.82126  1.77801      0.937876 1.13101  0.337612  1.28371  0.354032  
1 1 1 41 27 16 o 1.53684  0.200978  2.39644      0.61774  2.60473      0.849373 2.16254      0.900062 1.56923  0.28078   1.41692  0.324444  
1 1 1 41 27 17 o 1.07919  0.29275   1.24453      0.647829 0.679775     0.891392 1.87675      0.943133 0.925332 0.350493  1.31481  0.35169   
1 1 1 41 27 18 o 2.13423  0.137402  4.59054      0.586495 4.90015      0.9291   4.38544      0.756204 2.19315  0.211819  2.07982  0.181796  
1 1 1 41 27 19 o 0.94772  0.289655  0.944038     0.599764 0.99457      0.863553 0.896949     0.833626 1.00677  0.349822  0.969938 0.34305   
1 1 1 41 27 20 o 4.66252  0.0951394 21.8437      0.887179 23.2998      1.22883  20.2584      1.28219  4.80609  0.127841  4.47653  0.143213  
1 1 1 41 27 21 o 1.99072  0.184194  4.04127      0.73336  4.16296      1.04403  3.92273      1.03036  2.00099  0.260878  1.9411   0.265407  
1 1 1 41 27 22 o 2.89339  0.130984  8.46121      0.757976 9.57771      1.08084  7.38072      1.06326  3.06491  0.176324  2.68377  0.198091  
1 1 1 41 27 23 o 3.77661  0.115361  14.3952      0.871349 14.6608      1.24496  14.1401      1.21997  3.79351  0.164091  3.72569  0.163723  
1 1 1 41 27 24 o 2.5487   0.157572  6.61772      0.803207 7.02556      1.10338  6.15798      1.17149  2.60681  0.211633  2.42871  0.241176  
1 1 1 41 27 25 o 1.76388  0.225101  3.23972      0.794103 3.05865      1.10805  3.43094      1.13864  1.6444   0.347638  1.75027  0.337314  
1 1 1 41 27 26 o 0.74365  0.313232  0.187516     0.795094 -0.387025    1.15122  0.711522     1.09943  0.766836 0.347823  0.955065 0.381642  
1 1 1 41 27 27 o 0.528919 0.254219  -1.00113     0.783601 -0.300944    1.11055  -1.69538     1.10583  0.755659 0.342246  0.591863 0.288483  
1 1 1 41 27 28 o 1.12218  0.329276  1.47175      0.78673  1.32635      1.10466  1.62141      1.12072  1.08226  0.393675  1.16361  0.399077  
1 1 1 41 27 29 f 1.61099  0.241163  2.81324      0.777022 3.51732      1.08161  2.06232      1.117    1.7313   0.324359  1.27467  0.396458  
1 1 1 41 27 30 o 0.636954 0.288274  -0.179886    0.786491 -0.227673    1.05995  -0.121344    1.17318  0.722475 0.329365  0.770077 0.349842  
1 1 1 41 27 31 o 0.584466 0.27425   -0.552571    0.817666 -1.43947     1.09385  0.570608     1.23096  0.587791 0.286573  0.881942 0.381117  
1 1 1 41 27 32 o 1.23376  0.354094  2.08747      0.919673 3.35391      1.31294  0.867494     1.28863  1.4895   0.421676  0.903294 0.390138  
1 1 1 41 27 33 o 1.40395  0.356361  2.76454      1.00274  2.96767      1.42266  2.564        1.41356  1.30429  0.449411  1.2098   0.444811  
1 1 1 41 27 34 o 0.817281 0.351665  0.918089     1.03953  1.76481      1.53749  0.205075     1.41088  0.948078 0.417729  0.751604 0.354666  
1 1 1 41 27 35 o 1.19138  0.392953  2.56774      1.08642  1.71061      1.57237  3.35076      1.50285  0.908332 0.409531  1.2028   0.455241  
1 1 1 41 28 0  o 4.88135  0.101062  23.8838      0.985685 23.8838      0.985685 23.8838      0.985685 4.88424  0.0713847 ?        ?         
1 1 1 41 28 1  o 6.05799  0.068514  36.7357      0.830114 36.3382      1.16617  37.1439      1.18191  6.0222   0.0968223 6.08857  0.0970596 
1 1 1 41 28 2  o 4.79458  0.0694049 23.0116      0.665535 22.9667      0.904036 23.0647      0.98338  4.78785  0.0944093 4.79725  0.102494  
1 1 1 41 28 3  o 5.08521  0.0763541 25.892       0.776554 25.3528      1.0779   26.4739      1.11972  5.02895  0.10717   5.13873  0.108949  
1 1 1 41 28 4  o 5.41083  0.0770194 29.3154      0.833477 28.8757      1.21888  29.7016      1.14228  5.36601  0.113574  5.44334  0.104924  
1 1 1 41 28 5  o 2.90164  0.10207   8.43947      0.592343 8.13236      0.843554 8.7382       0.831964 2.84465  0.14827   2.94941  0.141039  
1 1 1 41 28 6  o 4.77549  0.0815962 22.8411      0.779324 23.6427      1.13124  22.117       1.07516  4.85463  0.116511  4.69564  0.114485  
1 1 1 41 28 7  o 1.75754  0.152654  3.1067       0.536594 3.64888      0.770084 2.59501      0.74811  1.90064  0.202586  1.60019  0.233756  
1 1 1 41 28 8  o 2.72918  0.11454   7.47386      0.625201 7.77486      0.90834  7.20289      0.861827 2.77875  0.163444  2.67485  0.161098  
1 1 1 41 28 9  o 4.12267  0.0962763 17.04        0.793831 18.643       1.13204  15.4891      1.11348  4.30758  0.131401  3.92482  0.141851  
1 1 1 41 28 10 o 3.38351  0.105938  11.4851      0.716888 10.6559      0.979604 12.4413      1.05192  3.25382  0.150531  3.51599  0.149591  
1 1 1 41 28 11 o 2.45274  0.13487   6.04893      0.661602 5.83513      0.918161 6.27982      0.954169 2.40243  0.19109   2.49225  0.191427  
1 1 1 41 28 12 o 1.27862  0.24159   1.71721      0.595272 1.05441      0.866674 2.30915      0.81903  1.03717  0.350969  1.47661  0.287597  
1 1 1 41 28 13 o 2.34894  0.119005  5.54426      0.559071 5.45653      0.747334 5.65574      0.84248  2.32558  0.160677  2.36526  0.178095  
1 1 1 41 28 14 o 2.62938  0.120454  6.94977      0.633436 7.1135       0.846849 6.74181      0.954388 2.6549   0.159488  2.58055  0.18492   
1 1 1 41 28 15 o 2.29918  0.139787  5.32351      0.642789 5.8739       0.87613  4.68188      0.945965 2.40914  0.181834  2.14484  0.220521  
1 1 1 41 28 16 o 3.09958  0.11234   9.65526      0.696412 9.55168      0.971384 9.76481      0.998945 3.07549  0.157923  3.10909  0.160649  
1 1 1 41 28 17 o 1.04641  0.299333  1.16423      0.658281 1.09916      0.905132 1.23728      0.95911  1.05278  0.358672  1.10433  0.369212  
1 1 1 41 28 18 o 3.39624  0.112907  11.6073      0.766916 11.7339      1.05423  11.465       1.11772  3.40548  0.154784  3.36325  0.166167  
1 1 1 41 28 19 f 4.65744  0.0918401 21.7861      0.85548  21.6975      1.17093  21.8876      1.25289  4.639    0.126205  4.65669  0.134526  
1 1 1 41 28 20 o 2.57794  0.134932  6.71521      0.69569  6.72333      0.968682 6.70656      0.999763 2.56674  0.188699  2.56176  0.195132  
1 1 1 41 28 21 o 3.23779  0.118805  10.5734      0.769333 11.7413      1.09115  9.41893      1.08488  3.39982  0.160472  3.0395   0.178463  
1 1 1 41 28 22 o 1.72108  0.206484  3.04624      0.710749 3.23903      1.06136  2.88949      0.957017 1.7188   0.320679  1.6277   0.305245  
1 1 1 41 28 23 o 1.56461  0.240546  2.55394      0.752724 1.44831      1.09844  3.53278      1.03354  1.15717  0.395121  1.82581  0.283037  
1 1 1 41 28 24 o 3.3363   0.132725  11.2817      0.885622 12.2637      1.21534  10.1698      1.2932   3.46113  0.17557   3.13813  0.206046  
1 1 1 41 28 25 f 1.87667  0.207316  3.6548       0.778129 4.09359      1.0629   3.14804      1.14227  1.96107  0.270999  1.65952  0.35454   
1 1 1 41 28 26 o 1.31246  0.30695   1.95304      0.792157 2.72846      1.12876  1.20049      1.11199  1.52016  0.373455  1.06825  0.394311  
1 1 1 41 28 27 o 1.27795  0.315467  1.89254      0.802487 2.34668      1.17089  1.49026      1.10201  1.37864  0.400802  1.13021  0.394945  
1 1 1 41 28 28 o 1.98365  0.200246  4.14381      0.794438 3.8105       1.11242  4.49074      1.13493  1.84366  0.301689  2.01557  0.28154   
1 1 1 41 28 29 o 0.944852 0.333879  1.01703      0.789492 1.95736      1.07673  -0.0763316   1.16105  1.23383  0.390258  0.782008 0.352281  
1 1 1 41 28 30 o 0.947667 0.343456  1.06139      0.840136 0.82731      1.10139  1.38712      1.29923  0.916937 0.375908  1.05596  0.417097  
1 1 1 41 28 31 o 1.54601  0.303543  2.92775      0.905108 3.40891      1.25168  2.40042      1.31037  1.56345  0.398923  1.26071  0.431557  
1 1 1 41 28 32 o 0.603349 0.287715  -0.635589    0.954936 0.29745      1.37152  -1.5135      1.33039  0.81716  0.3732    0.629592 0.309058  
1 1 1 41 28 33 o 0.719437 0.325122  0.25407      0.996741 0.460711     1.38466  0.0318394    1.43595  0.80753  0.371374  0.765207 0.360121  
1 1 1 41 28 34 o 0.912157 0.370818  1.4574       1.06276  2.52159      1.60912  0.634033     1.41539  1.02579  0.439325  0.782256 0.365756  
1 1 1 41 28 35 o 0.980904 0.390946  2.10516      1.15089  0.40538      1.77198  3.34535      1.51359  0.73354  0.359107  1.09964  0.444297  
1 1 1 41 29 0  o 5.38434  0.103433  29.059       1.11291  29.059       1.11291  29.059       1.11291  5.3875   0.073065  ?        ?         
1 1 1 41 29 1  o 3.54663  0.0809462 12.5977      0.574172 12.8304      0.80317  12.3544      0.821131 3.57675  0.112277  3.50933  0.116993  
1 1 1 41 29 2  f 1.9099   0.118189  3.65966      0.451459 3.89742      0.616776 3.38526      0.662602 1.96855  0.156657  1.83292  0.18075   
1 1 1 41 29 3  o 7.95776  0.0791263 63.4202      1.25934  62.1466      1.72473  64.8748      1.84309  7.87208  0.109548  8.04194  0.114593  
1 1 1 41 29 4  o 1.96259  0.14068   3.87034      0.552195 3.2273       0.808948 4.43139      0.755619 1.78535  0.226552  2.09681  0.180183  
1 1 1 41 29 5  o 1.90066  0.14314   3.63117      0.544121 3.24215      0.760838 4.03842      0.778472 1.79048  0.212468  2.00009  0.194609  
1 1 1 41 29 6  o 4.76363  0.0780616 22.7285      0.743713 22.9821      1.03458  22.4572      1.06985  4.78668  0.108068  4.73102  0.113067  
1 1 1 41 29 7  o 2.40606  0.124325  5.81375      0.598268 4.80218      0.852334 6.79617      0.83996  2.18005  0.195485  2.5977   0.161674  
1 1 1 41 29 8  o 2.91501  0.115045  8.52927      0.670713 7.84336      0.937782 9.24757      0.95966  2.7895   0.168091  3.03028  0.158345  
1 1 1 41 29 9  o 2.42322  0.135835  5.90398      0.658318 5.60583      0.935281 6.19673      0.926781 2.35408  0.198651  2.47664  0.187105  
1 1 1 41 29 10 o 4.00262  0.0966118 16.067       0.7734   15.6615      1.0831   16.4888      1.10473  3.946    0.13724   4.04902  0.136419  
1 1 1 41 29 11 o 1.02021  0.290571  1.09736      0.621613 0.0263527    0.864282 2.24507      0.894692 0.756673 0.322951  1.44767  0.31767   
1 1 1 41 29 12 o 1.17321  0.267109  1.46451      0.612894 1.63412      0.863712 1.29249      0.869847 1.2336   0.339542  1.1146   0.350499  
1 1 1 41 29 13 f 2.61351  0.133209  6.87407      0.696285 6.56174      0.962902 7.21637      1.00804  2.54514  0.189165  2.66914  0.188832  
1 1 1 41 29 14 o 0.793363 0.279508  0.574552     0.552924 1.25308      0.730648 -0.3348      0.845844 1.08766  0.31674   0.675583 0.30265   
1 1 1 41 29 15 o 3.87311  0.0962972 15.0558      0.74594  14.4054      0.999381 15.8739      1.12088  3.78247  0.132107  3.96866  0.141216  
1 1 1 41 29 16 o 2.17934  0.152793  4.79417      0.665976 4.95506      0.945326 4.63564      0.938378 2.20547  0.214314  2.13213  0.220056  
1 1 1 41 29 17 f 2.05892  0.171687  4.29926      0.706981 3.55437      0.973751 5.12964      1.02811  1.85498  0.26247   2.23678  0.229818  
1 1 1 41 29 18 o 1.10947  0.290974  1.33047      0.653635 1.90792      0.890332 0.655383     0.962657 1.31891  0.3364    0.931684 0.361227  
1 1 1 41 29 19 o 2.4598   0.126182  6.10532      0.620767 6.96005      0.925036 5.40504      0.8373   2.61496  0.176874  2.30327  0.181763  
1 1 1 41 29 20 o 1.68888  0.194219  2.91663      0.656023 2.76098      0.91835  3.07883      0.937458 1.59715  0.298571  1.71671  0.27304   
1 1 1 41 29 21 o 4.74938  0.1013    22.7063      0.962225 23.8152      1.34965  21.5601      1.37221  4.84961  0.139151  4.61017  0.148825  
1 1 1 41 29 22 o 1.72611  0.208578  3.07432      0.720059 2.05708      1.05115  3.9737       0.98838  1.34367  0.376309  1.94823  0.253661  
1 1 1 41 29 23 o 2.66175  0.146346  7.2004       0.77907  6.15693      1.09787  8.25884      1.10572  2.4346   0.225472  2.833    0.19515   
1 1 1 41 29 24 o 0.683523 0.295596  0.0106218    0.741558 0.610459     1.05793  -0.568786    1.03975  0.925314 0.372444  0.702417 0.322521  
1 1 1 41 29 25 o 0.524747 0.252149  -1.00817     0.769665 -0.930106    1.03864  -1.10324     1.14623  0.650658 0.30623   0.671694 0.318079  
1 1 1 41 29 26 o 1.72695  0.236339  3.17144      0.816291 2.75204      1.18727  3.54742      1.12414  1.50504  0.390974  1.7564   0.332109  
1 1 1 41 29 27 o 1.22096  0.318027  1.73916      0.784228 0.242661     1.13632  3.10022      1.08368  0.846137 0.365916  1.6214   0.344548  
1 1 1 41 29 28 o 1.02425  0.334566  1.2325       0.787554 1.4972       1.06846  0.917609     1.16538  1.11007  0.388793  0.974114 0.391392  
1 1 1 41 29 29 o 0.843466 0.332116  0.692581     0.821338 0.22655      1.05917  1.39552      1.30082  0.795845 0.348724  1.06593  0.418517  
1 1 1 41 29 30 o 1.19253  0.343828  1.81619      0.865178 2.55642      1.22071  1.06903      1.22641  1.35223  0.413223  0.976044 0.397824  
1 1 1 41 29 31 o 0.642338 0.295213  -0.204949    0.873404 0.743858     1.23667  -1.14919     1.23369  0.878118 0.380765  0.64019  0.310057  
1 1 1 41 29 32 o 0.623059 0.293737  -0.471177    0.963479 -2.22162     1.33506  1.43131      1.39184  0.580035 0.288862  0.982797 0.414219  
1 1 1 41 29 33 o 0.65442  0.306181  -0.0711632   0.993858 1.70953      1.46464  -1.59084     1.35304  0.951025 0.413406  0.598174 0.296906  
1 1 1 41 29 34 o 1.67891  0.358848  4.29605      1.16974  4.74722      1.80293  3.96808      1.53718  1.37483  0.502657  1.34473  0.46678   
1 1 1 41 30 0  o 11.1603  0.124409  124.847      2.7761   124.847      2.7761   124.847      2.7761   11.1669  0.0879057 ?        ?         
1 1 1 41 30 1  o 3.45827  0.0813171 11.9801      0.562434 10.9914      0.780479 13.0482      0.811214 3.30942  0.117918  3.60637  0.11247   
1 1 1 41 30 2  o 4.73119  0.0676982 22.411       0.640586 21.7886      0.88174  23.1066      0.932216 4.66242  0.0945583 4.80106  0.0970845 
1 1 1 41 30 3  o 1.49231  0.176659  2.24551      0.527262 2.35284      0.76209  2.14696      0.73025  1.52133  0.250468  1.43011  0.265262  
1 1 1 41 30 4  o 3.31544  0.0922792 11.0178      0.611893 10.5008      0.88609  11.4891      0.845997 3.23226  0.13707   3.38239  0.125059  
1 1 1 41 30 5  o 3.49884  0.0889558 12.2689      0.622484 11.1593      0.850832 13.547       0.913114 3.33304  0.127636  3.67277  0.124309  
1 1 1 41 30 6  o 3.0794   0.0939941 9.50668      0.578891 8.40683      0.788208 10.7947      0.852974 2.89184  0.136282  3.27766  0.130119  
1 1 1 41 30 7  o 1.59547  0.195199  2.57409      0.622868 1.86118      0.871813 3.3174       0.890212 1.31789  0.33095   1.80539  0.246542  
1 1 1 41 30 8  o 2.31278  0.140976  5.38133      0.652096 5.36227      0.924729 5.4002       0.919698 2.30156  0.200892  2.30994  0.199074  
1 1 1 41 30 9  o 5.58089  0.0865157 31.2201      0.965669 30.3451      1.35051  32.1355      1.38134  5.4954   0.122876  5.65536  0.122127  
1 1 1 41 30 10 o 4.59271  0.0898698 21.1498      0.825493 20.9771      1.15028  21.3332      1.18536  4.56787  0.125909  4.60594  0.128677  
1 1 1 41 30 11 o 3.5549   0.102962  12.6851      0.732038 13.1895      1.03559  12.1814      1.03493  3.61847  0.143098  3.47639  0.148851  
1 1 1 41 30 12 o 1.14752  0.287161  1.408        0.658103 1.42623      0.908445 1.38786      0.954673 1.16289  0.356702  1.15478  0.367699  
1 1 1 41 30 13 o 0.85925  0.308397  0.657685     0.675928 1.26366      0.929627 -0.0220061   0.984548 1.1115   0.363493  0.793294 0.341801  
1 1 1 41 30 14 o 2.89873  0.132493  8.46085      0.76812  8.5069       1.05467  8.40883      1.12093  2.89778  0.181978  2.87833  0.194719  
1 1 1 41 30 15 o 3.01182  0.106638  9.11258      0.64235  8.97518      0.840755 9.30524      0.995586 2.98383  0.140885  3.03387  0.164079  
1 1 1 41 30 16 o 3.82743  0.112551  14.7372      0.861565 15.258       1.20255  14.1879      1.23497  3.88423  0.1548    3.74269  0.164984  
1 1 1 41 30 17 o 2.91889  0.121791  8.58393      0.710989 8.25103      0.979011 8.95544      1.03424  2.85126  0.171681  2.96985  0.174123  
1 1 1 41 30 18 o 2.64083  0.131476  7.04115      0.694414 7.68839      0.96613  6.34941      0.998782 2.74915  0.175715  2.49196  0.200401  
1 1 1 41 30 19 o 1.17064  0.268961  1.48163      0.616849 1.8374       0.869346 1.12089      0.875397 1.28961  0.334346  1.04357  0.352731  
1 1 1 41 30 20 o 1.68639  0.194829  2.91211      0.657112 3.16354      0.951479 2.68284      0.908598 1.73756  0.273798  1.57119  0.299889  
1 1 1 41 30 21 o 0.528201 0.248227  -0.671855    0.677517 -0.859565    1.0194   -0.523333    0.906768 0.65942  0.308843  0.660427 0.302381  
1 1 1 41 30 22 o 0.58627  0.267285  -0.384588    0.698228 -1.26337     0.985276 0.501971     0.989626 0.596056 0.28614   0.887263 0.35894   
1 1 1 41 30 23 o 1.24622  0.297938  1.72342      0.733615 0.105105     1.05196  3.25566      1.0236   0.82067  0.353449  1.71891  0.308988  
1 1 1 41 30 24 o 1.44429  0.266167  2.27414      0.740007 2.33987      1.06338  2.21241      1.03045  1.41948  0.370605  1.38188  0.366695  
1 1 1 41 30 25 o 2.11854  0.198904  4.67648      0.84277  5.36761      1.14127  3.84763      1.24982  2.24122  0.25461   1.82211  0.355647  
1 1 1 41 30 26 o 2.55256  0.164708  6.73144      0.840852 4.85212      1.21086  8.48172      1.16855  2.09913  0.28842   2.84017  0.205719  
1 1 1 41 30 27 o 1.10902  0.326957  1.44822      0.773917 1.283        1.08964  1.61641      1.09939  1.06135  0.390506  1.15317  0.395285  
1 1 1 41 30 28 o 0.703218 0.306602  0.092127     0.810338 1.1355       1.11041  -1.09658     1.18523  1.00524  0.388328  0.661671 0.316716  
1 1 1 41 30 29 o 1.23522  0.348081  1.9428       0.896653 1.3512       1.20468  2.67763      1.34262  1.04294  0.404148  1.37019  0.436032  
1 1 1 41 30 30 o 0.929644 0.349418  1.05859      0.881086 1.86381      1.2839   0.341791     1.21135  1.13033  0.422397  0.824111 0.365946  
1 1 1 41 30 31 o 1.10042  0.361361  1.72829      0.918754 2.69034      1.34229  0.880292     1.26022  1.27469  0.436782  0.889707 0.385061  
1 1 1 41 30 32 o 1.09528  0.377434  1.88003      1.00348  2.10744      1.38909  1.63183      1.45121  1.08114  0.429939  0.986578 0.419696  
1 1 1 41 30 33 o 0.967019 0.381322  1.69932      1.08422  -0.236682    1.58458  3.40361      1.48673  0.720117 0.349555  1.23422  0.455864  
1 1 1 41 30 34 o 1.01837  0.384972  2.06739      1.07363  1.40685      1.53935  2.69307      1.49818  0.835156 0.386969  1.01999  0.429816  
1 1 1 41 31 0  f 6.44166  0.0982102 41.5805      1.26461  41.5805      1.26461  41.5805      1.26461  6.44499  0.0693909 ?        ?         
1 1 1 41 31 1  o 0.850222 0.254959  0.74433      0.467647 0.283102     0.642541 1.26382      0.681919 0.729352 0.291629  1.09314  0.302061  
1 1 1 41 31 2  o 4.51795  0.0694288 20.44        0.627352 20.7457      0.885825 20.1324      0.888601 4.54863  0.0973728 4.48067  0.0991593 
1 1 1 41 31 3  o 1.53966  0.169133  2.39013      0.520814 2.2457       0.756607 2.5202       0.717994 1.46146  0.268924  1.57583  0.227815  
1 1 1 41 31 4  o 1.87234  0.144483  3.52714      0.541043 4.4046       0.818379 2.84585      0.721116 2.08705  0.196061  1.6757   0.215169  
1 1 1 41 31 5  f 1.93092  0.144606  3.7518       0.558447 2.84814      0.760679 4.80822      0.822461 1.67482  0.227093  2.18124  0.18853   
1 1 1 41 31 6  o 1.01932  0.29215   1.09282      0.626472 0.79445      0.88677  1.3901       0.885162 0.962188 0.352451  1.15233  0.351825  
1 1 1 41 31 7  o 5.17296  0.0872331 26.8238      0.902506 26.0742      1.26562  27.5994      1.28733  5.09377  0.124232  5.24092  0.122815  
1 1 1 41 31 8  o 5.24882  0.0865105 27.6179      0.908157 27.3045      1.28049  27.9351      1.2882   5.21229  0.122834  5.27228  0.122167  
1 1 1 41 31 9  o 1.99947  0.161721  4.03414      0.646712 3.54125      0.922257 4.51098      0.907109 1.86195  0.247659  2.1069   0.215271  
1 1 1 41 31 10 o 3.00101  0.114811  9.04891      0.689096 10.6037      0.991479 7.59608      0.95842  3.24261  0.152883  2.74094  0.174834  
1 1 1 41 31 11 o 2.64915  0.130241  7.06061      0.690057 7.38826      0.96966  6.7244       0.982236 2.70246  0.179403  2.57628  0.190631  
1 1 1 41 31 12 o 4.62576  0.0996909 21.4769      0.922293 22.3455      1.25658  20.4626      1.35795  4.71142  0.133355  4.50441  0.150735  
1 1 1 41 31 13 o 3.96449  0.109982  15.7925      0.872045 15.7523      1.17265  15.8422      1.30436  3.95171  0.148372  3.95897  0.164734  
1 1 1 41 31 14 o 5.98818  0.10837   36.0282      1.29788  35.0122      1.81298  37.0963      1.85885  5.8887   0.153937  6.06166  0.153328  
1 1 1 41 31 15 o 2.20612  0.180632  4.94244      0.796993 5.22089      1.16108  4.69435      1.09598  2.24973  0.258048  2.13358  0.25684   
1 1 1 41 31 16 o 4.24951  0.0985885 18.1472      0.837906 18.9513      1.15382  17.25        1.21881  4.33394  0.133114  4.13064  0.147532  
1 1 1 41 31 17 o 3.32947  0.110358  11.1597      0.734869 11.6083      0.979625 10.5825      1.11131  3.38757  0.144591  3.22673  0.172204  
1 1 1 41 31 18 o 2.57747  0.138439  6.71795      0.713647 7.49239      0.983906 5.85824      1.03666  2.71116  0.181455  2.3876   0.217093  
1 1 1 41 31 19 o 1.63911  0.222942  2.76971      0.730852 3.2944       1.01295  2.19999      1.05552  1.77007  0.286134  1.39834  0.371158  
1 1 1 41 31 20 o 1.16673  0.27551   1.4849       0.633384 1.93386      0.923826 1.08666      0.870069 1.3137   0.346566  1.0262   0.351656  
1 1 1 41 31 21 o 0.866105 0.311767  0.711024     0.691225 0.670632     1.02227  0.745047     0.938211 0.936801 0.369995  0.934726 0.357958  
1 1 1 41 31 22 o 1.94641  0.183865  3.88699      0.715753 3.87293      1.02112  3.90058      1.00357  1.9163   0.266429  1.92528  0.26063   
1 1 1 41 31 23 o 0.883493 0.317457  0.761884     0.716404 0.652276     1.0275   0.865575     0.999383 0.925885 0.369276  0.972522 0.37031   
1 1 1 41 31 24 o 1.44398  0.272765  2.29712      0.758994 2.05145      1.09799  2.52193      1.05035  1.31625  0.389855  1.47048  0.359635  
1 1 1 41 31 25 o 0.626808 0.287038  -0.408423    0.817478 0.158337     1.13247  -1.02507     1.18125  0.835087 0.36327   0.684143 0.323467  
1 1 1 41 31 26 o 1.22271  0.31748   1.74687      0.783097 1.77205      1.06987  1.71781      1.14933  1.20531  0.389805  1.18786  0.40417   
1 1 1 41 31 27 o 1.19421  0.331953  1.71972      0.820972 2.3513       1.15425  1.07308      1.16793  1.35319  0.399407  1.00645  0.396118  
1 1 1 41 31 28 o 0.486884 0.239787  -1.51559     0.835036 -1.46219     1.1826   -1.56868     1.17925  0.61964  0.301157  0.609075 0.297058  
1 1 1 41 31 29 o 1.13744  0.340933  1.64626      0.836334 1.89557      1.20037  1.41106      1.1659   1.16963  0.411855  1.04803  0.399707  
1 1 1 41 31 30 o 0.669531 0.303022  -0.0271896   0.86905  -0.0571912   1.2203   0.00368502   1.23793  0.754694 0.347714  0.766549 0.351947  
1 1 1 41 31 31 o 0.771016 0.337652  0.445945     0.991816 -0.12252     1.47923  0.910232     1.33683  0.77938  0.366417  0.893904 0.391733  
1 1 1 41 31 32 o 0.713686 0.323848  0.323619     0.998997 0.496184     1.41681  0.152993     1.40882  0.789603 0.367926  0.751566 0.354577  
1 1 1 41 31 33 o 1.0228   0.386116  1.88945      1.07879  2.67382      1.5735   1.19375      1.48189  1.07338  0.445696  0.860726 0.391599  
1 1 1 41 32 0  o 0.315065 0.22747   -0.955151    0.646512 -0.955151    0.646512 -0.955151    0.646512 0.236373 0.173584  ?        ?         
1 1 1 41 32 1  o 4.12297  0.0724742 17.0261      0.597618 16.8291      0.829378 17.2388      0.861876 4.09594  0.101244  4.14515  0.103962  
1 1 1 41 32 2  o 2.85483  0.0869264 8.16896      0.49632  7.96588      0.67508  8.40786      0.732201 2.81618  0.119857  2.89252  0.126568  
1 1 1 41 32 3  o 1.82755  0.143623  3.36132      0.524958 2.88562      0.775745 3.7632       0.713021 1.68485  0.230212  1.92966  0.184753  
1 1 1 41 32 4  o 3.86917  0.0848523 15.0044      0.656616 15.148       0.951735 14.874       0.907064 3.88278  0.122558  3.8482   0.117856  
1 1 1 41 32 5  o 2.12345  0.14152   4.53811      0.601022 3.95716      0.893244 5.01871      0.812437 1.97283  0.226387  2.22819  0.182309  
1 1 1 41 32 6  o 3.07963  0.113199  9.52457      0.697224 8.76077      0.981244 10.3034      0.990875 2.94613  0.166531  3.19699  0.15497   
1 1 1 41 32 7  o 1.33437  0.245866  1.87259      0.63155  2.11481      0.894211 1.63152      0.892084 1.40203  0.324975  1.23331  0.34708   
1 1 1 41 32 8  o 4.96613  0.0902744 24.7351      0.896629 24.3364      1.29444  25.1028      1.24317  4.91775  0.131609  4.99625  0.12441   
1 1 1 41 32 9  o 4.12865  0.0946684 17.1006      0.781706 17.2627      1.09734  16.9336      1.11384  4.1417   0.132475  4.10139  0.135788  
1 1 1 41 32 10 o 2.76013  0.126646  7.66234      0.699122 8.79803      0.977463 6.47284      1.00035  2.95146  0.16559   2.52622  0.197993  
1 1 1 41 32 11 o 2.95224  0.128695  8.77093      0.759879 9.03213      1.03268  8.46251      1.12215  2.98828  0.172789  2.8882   0.194264  
1 1 1 41 32 12 o 3.37959  0.122997  11.4904      0.831361 11.939       1.12437  10.9493      1.23482  3.43696  0.16357   3.28587  0.187899  
1 1 1 41 32 13 o 4.01091  0.108355  16.1651      0.869203 16.3174      1.18632  15.9886      1.27718  4.02133  0.147503  3.97731  0.160558  
1 1 1 41 32 14 o 4.22797  0.106883  17.9747      0.903796 17.6892      1.25971  18.2777      1.29744  4.18306  0.150573  4.25146  0.152588  
1 1 1 41 32 15 o 3.93517  0.116111  15.5913      0.913832 13.7532      1.26446  17.6009      1.32218  3.68115  0.171748  4.1689   0.158576  
1 1 1 41 32 16 o 1.43643  0.263801  2.20267      0.729546 2.35014      1.01904  2.04761      1.04491  1.4564   0.353022  1.35664  0.373488  
1 1 1 41 32 17 o 4.39752  0.0971992 19.4448      0.854871 19.7607      1.20974  19.1297      1.2082   4.42118  0.136812  4.34929  0.138896  
1 1 1 41 32 18 o 3.58958  0.121381  13.0021      0.871415 13.7082      1.16905  12.1192      1.30723  3.67364  0.159114  3.44287  0.189845  
1 1 1 41 32 19 o 1.61652  0.225618  2.70203      0.729432 3.0919       0.974347 2.20492      1.10023  1.7126   0.284465  1.39355  0.383071  
1 1 1 41 32 20 o 0.82595  0.292776  0.65395      0.607498 1.214        0.880687 0.145556     0.839086 1.06476  0.353795  0.756342 0.320333  
1 1 1 41 32 21 o 1.96394  0.179407  3.95192      0.704689 3.53993      1.04511  4.29537      0.954237 1.82511  0.286315  2.03008  0.235025  
1 1 1 41 32 22 o 1.95554  0.184269  3.93566      0.720691 4.2301       1.0402   3.66384      0.999444 1.99964  0.260097  1.85744  0.269038  
1 1 1 41 32 23 o 2.64031  0.146058  7.10911      0.771277 6.13929      1.07691  8.13046      1.10514  2.42291  0.222234  2.80132  0.197254  
1 1 1 41 32 24 o 2.88799  0.144496  8.53476      0.834605 7.84822      1.21636  9.14555      1.14729  2.72651  0.223061  2.96258  0.19363   
1 1 1 41 32 25 o 2.0045   0.209215  4.23598      0.838746 3.32351      1.15334  5.26028      1.22197  1.67412  0.355227  2.19043  0.278933  
1 1 1 41 32 26 o 3.1275   0.140207  10.0484      0.876994 9.91285      1.2452   10.1819      1.23537  3.06159  0.203358  3.10658  0.198832  
1 1 1 41 32 27 o 0.758861 0.322062  0.299893     0.851026 0.427889     1.20854  0.173994     1.19859  0.871928 0.37722   0.827396 0.366135  
1 1 1 41 32 28 o 2.44791  0.183939  6.3755       0.900529 4.90702      1.27515  7.83657      1.27193  2.03567  0.313203  2.66033  0.239056  
1 1 1 41 32 29 o 1.16008  0.34328   1.7728       0.851595 1.91445      1.25668  1.65252      1.15803  1.14085  0.419409  1.0832   0.401877  
1 1 1 41 32 30 f 0.718977 0.325225  0.111135     0.999736 0.504742     1.66204  -0.112018    1.25145  0.878591 0.405178  0.744193 0.346389  
1 1 1 41 32 31 o 0.747591 0.332065  0.3999       0.998398 1.10809      1.39665  -0.340205    1.42776  0.902696 0.397883  0.731401 0.349498  
1 1 1 41 32 32 o 0.814971 0.350246  0.967738     1.02894  1.19757      1.47134  0.747759     1.43946  0.85517  0.389374  0.800078 0.372052  
1 1 1 41 32 33 o 0.70671  0.327801  0.39553      1.10837  0.178199     1.51757  0.644002     1.62265  0.721924 0.348638  0.768997 0.368688  
1 1 1 41 33 0  o 0.436991 0.29101   -0.128534    0.656457 -0.128534    0.656457 -0.128534    0.656457 0.359459 0.240707  ?        ?         
1 1 1 41 33 1  o 1.08466  0.222418  1.23812      0.465891 0.833747     0.659094 1.64193      0.658646 0.919866 0.306066  1.24259  0.27247   
1 1 1 41 33 2  o 4.41364  0.0716675 19.5136      0.632629 18.7144      0.87174  20.4027      0.919515 4.3186   0.100929  4.50903  0.101964  
1 1 1 41 33 3  o 3.87014  0.0847755 15.0144      0.656186 14.6996      0.943856 15.3089      0.912892 3.82405  0.12341   3.90353  0.116931  
1 1 1 41 33 4  o 2.07555  0.140621  4.33742      0.583731 5.90315      0.916355 3.26819      0.757254 2.4145   0.189761  1.7939   0.211063  
1 1 1 41 33 5  o 3.01212  0.122761  9.12163      0.73954  8.60338      0.980766 9.80465      1.12593  2.9184   0.168031  3.11302  0.180842  
1 1 1 41 33 6  o 5.00257  0.089293  25.0977      0.893388 25.5959      1.27116  24.6113      1.25587  5.04473  0.125989  4.94654  0.126944  
1 1 1 41 33 7  o 5.26395  0.0901829 27.7901      0.949437 30.0875      1.35678  25.5856      1.32906  5.47001  0.12402   5.0424   0.131788  
1 1 1 41 33 8  o 3.88152  0.101538  15.1217      0.788242 16.1121      1.08848  14.0295      1.143    4.00065  0.136038  3.72982  0.153225  
1 1 1 41 33 9  o 1.0704   0.293853  1.22087      0.647945 1.55901      0.911919 0.876116     0.920811 1.20762  0.35456   0.990423 0.359508  
1 1 1 41 33 10 o 3.18156  0.122618  10.1824      0.780233 9.70321      1.06191  10.7446      1.15021  3.09708  0.171437  3.25791  0.176525  
1 1 1 41 33 11 o 0.979488 0.320093  0.972046     0.720891 1.87598      0.988389 -0.0553567   1.05373  1.31373  0.363921  0.811779 0.351729  
1 1 1 41 33 12 f 4.18707  0.103597  17.6125      0.867535 16.3074      1.19909  19.0459      1.25669  4.01893  0.14918   4.34454  0.144629  
1 1 1 41 33 13 o 4.0452   0.109869  16.4617      0.888887 17.7427      1.25637  15.1779      1.25778  4.18906  0.149959  3.87078  0.162471  
1 1 1 41 33 14 o 3.06516  0.1346    9.48168      0.825143 9.23476      1.19552  9.70632      1.14029  3.00885  0.198668  3.08887  0.184581  
1 1 1 41 33 15 o 1.64747  0.229987  2.79336      0.757793 4.62948      1.08866  1.06747      1.05547  2.11313  0.257594  1.06049  0.384903  
1 1 1 41 33 16 o 2.24132  0.175605  5.11389      0.787175 5.24255      1.10996  4.9837       1.11654  2.25     0.246657  2.19124  0.254773  
1 1 1 41 33 17 o 1.25619  0.317372  1.73785      0.798106 2.02057      1.07528  1.39105      1.19095  1.34096  0.382244  1.1627   0.410152  
1 1 1 41 33 18 o 1.5435   0.222306  2.46029      0.686258 1.81226      0.916129 3.28885      1.0359   1.2736   0.349315  1.76374  0.293666  
1 1 1 41 33 19 o 0.789751 0.305539  0.478894     0.687952 -0.033833    0.935108 1.08381      1.0157   0.755651 0.329413  1.04441  0.377728  
1 1 1 41 33 20 o 1.21861  0.290039  1.63784      0.697649 1.11321      0.945742 2.26413      1.03331  1.03978  0.365629  1.40908  0.364138  
1 1 1 41 33 21 o 0.955498 0.311072  0.973896     0.68083  2.46616      1.01679  -0.238916    0.916655 1.47164  0.350079  0.707215 0.315987  
1 1 1 41 33 22 o 2.24254  0.164169  5.14883      0.736309 5.54799      1.06163  4.77885      1.02209  2.30174  0.230614  2.1324   0.239657  
1 1 1 41 33 23 o 1.44893  0.268975  2.31696      0.750252 1.77028      1.03262  2.92819      1.09189  1.22467  0.381247  1.58488  0.35356   
1 1 1 41 33 24 o 2.78488  0.150788  7.96995      0.839852 7.88357      1.13073  8.07624      1.25433  2.73808  0.206482  2.75693  0.227486  
1 1 1 41 33 25 o 0.84827  0.328139  0.659066     0.793434 0.652533     1.11913  0.665668     1.12506  0.918056 0.378074  0.922033 0.379285  
1 1 1 41 33 26 o 1.97076  0.221237  4.17748      0.872009 4.8          1.20732  3.49855      1.26084  2.05836  0.293272  1.66513  0.385837  
1 1 1 41 33 27 o 1.4632   0.300333  2.55008      0.84869  2.04632      1.23485  3.00106      1.16837  1.21985  0.418852  1.51254  0.385111  
1 1 1 41 33 28 o 0.53097  0.255203  -0.866698    0.789643 -1.78341     1.10742  0.081481     1.12627  0.562411 0.276996  0.775389 0.34825   
1 1 1 41 33 29 o 0.793654 0.334813  0.568263     0.910749 2.05065      1.37761  -0.582659    1.21386  1.13245  0.433733  0.688973 0.326764  
1 1 1 41 33 30 o 1.2046   0.379593  2.16774      1.01954  1.28367      1.41486  3.12264      1.47045  0.956319 0.410841  1.32917  0.457     
1 1 1 41 33 31 o 0.797824 0.345543  0.800551     1.01621  2.72534      1.44346  -1.09084     1.43088  1.14129  0.442365  0.648197 0.318939  
1 1 1 41 33 32 o 0.684884 0.316368  0.163753     1.01874  0.0258401    1.44467  0.300167     1.43679  0.731353 0.349973  0.756796 0.357348  
1 1 1 41 33 33 f 0.516445 0.256922  -1.2182      1.0424   -1.67718     1.51351  -0.804017    1.43776  0.574554 0.289366  0.611253 0.303762  
1 1 1 41 34 0  o 2.79087  0.131756  7.8651       0.731695 7.8651       0.731695 7.8651       0.731695 2.79771  0.0926965 ?        ?         
1 1 1 41 34 1  o 3.65313  0.0773044 13.3742      0.564807 13.5917      0.818812 13.1767      0.780107 3.67843  0.111299  3.62236  0.107679  
1 1 1 41 34 2  o 2.47013  0.0975949 6.12249      0.482144 6.79557      0.658524 5.3448       0.707855 2.59928  0.126674  2.30204  0.153745  
1 1 1 41 34 3  o 3.3898   0.0891695 11.5236      0.604534 11.0078      0.868506 12.0085      0.841991 3.30749  0.131294  3.45604  0.121814  
1 1 1 41 34 4  o 1.09114  0.263965  1.26809      0.570611 2.19935      0.8793   0.590624     0.749974 1.43089  0.315726  0.859351 0.322496  
1 1 1 41 34 5  o 3.50946  0.107676  12.3674      0.755768 11.5951      1.02206  13.2991      1.12264  3.39127  0.15069   3.63115  0.154584  
1 1 1 41 34 6  o 2.66054  0.132223  7.12328      0.70357  7.24339      0.978571 6.99475      1.01228  2.67504  0.182907  2.62699  0.192669  
1 1 1 41 34 7  o 3.35695  0.113932  11.3241      0.764926 11.4445      1.05376  11.1899      1.11214  3.36743  0.156464  3.32763  0.167106  
1 1 1 41 34 8  f 1.18013  0.286415  1.49323      0.670134 1.0313       0.931375 1.98905      0.96494  1.03722  0.363022  1.35262  0.352982  
1 1 1 41 34 9  o 0.916838 0.313619  0.81387      0.692026 0.639364     0.948509 1.01248      1.01191  0.929849 0.358966  1.04795  0.377218  
1 1 1 41 34 10 o 1.87514  0.195786  3.57065      0.734254 3.24194      1.0145   3.93225      1.06405  1.77105  0.286413  1.95356  0.272337  
1 1 1 41 34 11 o 3.93658  0.109257  15.5813      0.860195 14.8873      1.20206  16.3097      1.23147  3.83692  0.156644  4.01699  0.153283  
1 1 1 41 34 12 o 2.57936  0.142449  6.72061      0.734856 7.3201       1.04044  6.12385      1.03805  2.68057  0.19407   2.44741  0.212072  
1 1 1 41 34 13 o 2.20089  0.172546  4.91788      0.759508 4.05862      1.11382  5.66466      1.03836  1.97464  0.282031  2.35077  0.220855  
1 1 1 41 34 14 o 3.18271  0.13418   10.2317      0.854108 10.4406      1.27022  10.0593      1.15392  3.19592  0.198725  3.14199  0.183629  
1 1 1 41 34 15 o 3.81614  0.126778  14.6998      0.967602 15.0206      1.35185  14.3629      1.38557  3.84095  0.175978  3.75255  0.184617  
1 1 1 41 34 16 o 2.93928  0.148091  8.75574      0.870559 10.0276      1.14429  7.00807      1.34137  3.13445  0.182535  2.5941   0.258542  
1 1 1 41 34 17 o 0.834953 0.326779  0.509892     0.791641 0.268124     1.08965  0.780143     1.15205  0.872495 0.367059  1.00013  0.393485  
1 1 1 41 34 18 o 1.13177  0.319431  1.41874      0.754546 0.824086     1.05013  2.05341      1.0849   0.982039 0.377997  1.3409   0.384504  
1 1 1 41 34 19 o 0.927513 0.30862   0.895756     0.670139 0.909289     0.912225 0.879892     0.987709 0.974835 0.357436  0.981861 0.369777  
1 1 1 41 34 20 o 2.74658  0.148309  7.67616      0.814685 9.0024       1.16154  6.39201      1.14296  2.9552   0.196525  2.47615  0.230793  
1 1 1 41 34 21 o 0.770328 0.302491  0.439843     0.679618 0.998377     1.01437  -0.0150847   0.91547  1.0106   0.375888  0.746052 0.325575  
1 1 1 41 34 22 o 0.711634 0.302079  0.14398      0.748938 0.491847     1.017    -0.268212    1.10704  0.878164 0.360818  0.764314 0.344168  
1 1 1 41 34 23 o 1.38153  0.289266  2.15721      0.773502 2.18645      1.0798   2.12639      1.10856  1.34226  0.383184  1.32106  0.391819  
1 1 1 41 34 24 f 1.04869  0.331998  1.27359      0.779119 0.45169      1.07741  2.17449      1.12801  0.8698   0.365414  1.32396  0.395764  
1 1 1 41 34 25 o 0.877325 0.336858  0.757758     0.832647 0.489373     1.1888   1.01621      1.16659  0.891494 0.379572  0.995822 0.394635  
1 1 1 41 34 26 o 0.783861 0.326592  0.425206     0.849377 -0.294624    1.14657  1.30068      1.26447  0.739749 0.339252  1.04603  0.412015  
1 1 1 41 34 27 o 0.777206 0.32549   0.43095      0.850387 1.07093      1.21348  -0.186635    1.19206  0.977748 0.396677  0.758855 0.347136  
1 1 1 41 34 28 o 0.525857 0.255893  -1.10963     0.858449 -1.66217     1.26827  -0.642464    1.1662   0.613196 0.30125   0.677419 0.320812  
1 1 1 41 34 29 o 0.963384 0.358788  1.2833       0.924769 0.860177     1.28922  1.73176      1.32725  0.887218 0.386777  1.05029  0.419447  
1 1 1 41 34 30 o 0.602465 0.288873  -0.618249    0.996744 -0.815925    1.35374  -0.384204    1.47302  0.669657 0.324444  0.729879 0.350258  
1 1 1 41 34 31 o 0.693391 0.319486  0.243625     1.03039  -0.257864    1.46763  0.731098     1.44697  0.702912 0.340042  0.796518 0.371409  
1 1 1 41 34 32 o 0.518351 0.257329  -1.30381     1.01855  -0.0139782   1.44838  -2.56575     1.43264  0.69804  0.337706  0.540543 0.273264  
1 1 1 41 35 0  f 3.2182   0.119297  10.4258      0.765447 10.4258      0.765447 10.4258      0.765447 3.22355  0.0840822 ?        ?         
1 1 1 41 35 1  o 2.17821  0.114087  4.76689      0.497011 4.64473      0.705678 4.88713      0.700115 2.14461  0.164524  2.20056  0.159077  
1 1 1 41 35 2  o 2.3739   0.100784  5.65626      0.478503 5.00065      0.646402 6.45105      0.711714 2.22762  0.145088  2.53072  0.140615  
1 1 1 41 35 3  o 2.79417  0.10972   7.84209      0.613153 7.26854      0.891101 8.35782      0.844993 2.68229  0.166108  2.87948  0.146727  
1 1 1 41 35 4  o 0.93445  0.296451  0.893314     0.62097  0.962077     0.882621 0.825917     0.873813 1.00707  0.353305  0.964216 0.350192  
1 1 1 41 35 5  o 1.05354  0.315165  1.16944      0.715163 1.53558      0.96464  0.722584     1.06568  1.20166  0.36736   0.984521 0.380405  
1 1 1 41 35 6  o 3.55321  0.111124  12.687       0.789695 12.6154      1.1161   12.7587      1.11749  3.53441  0.157891  3.55458  0.15719   
1 1 1 41 35 7  o 6.17212  0.0947741 38.2317      1.16991  39.7637      1.65596  36.705       1.65306  6.28397  0.131761  6.03578  0.136938  
1 1 1 41 35 8  o 1.63775  0.216261  2.73282      0.708364 2.58768      1.00197  2.87785      1.00158  1.54624  0.333507  1.63834  0.316984  
1 1 1 41 35 9  o 2.03843  0.176236  4.21205      0.718486 4.29789      0.997383 4.11945      1.0359   2.04642  0.243689  2.00019  0.25895   
1 1 1 41 35 10 o 3.14411  0.124988  9.962        0.785954 10.194       1.13102  9.74535      1.09297  3.16807  0.178503  3.09814  0.176391  
1 1 1 41 35 11 o 1.14578  0.299944  1.4223       0.695366 1.19532      0.962391 1.67023      1.00584  1.08525  0.369843  1.23878  0.374411  
1 1 1 41 35 12 o 1.57627  0.230474  2.55424      0.726577 1.80895      1.01615  3.33388      1.03931  1.28189  0.373607  1.78634  0.290904  
1 1 1 41 35 13 o 0.874829 0.325925  0.657747     0.763258 0.55613      1.17701  0.731488     1.00265  0.963415 0.390749  0.957828 0.369214  
1 1 1 41 35 14 o 1.71451  0.217213  3.02116      0.744824 2.86724      1.06554  3.16823      1.04155  1.61223  0.340955  1.70692  0.316965  
1 1 1 41 35 15 o 4.03115  0.122749  16.4014      0.989641 17.7814      1.34288  14.7609      1.46409  4.18335  0.160503  3.79829  0.192731  
1 1 1 41 35 16 o 3.16915  0.144752  10.1825      0.917481 9.96512      1.20368  10.4839      1.41739  3.11851  0.192989  3.18608  0.222434  
1 1 1 41 35 17 o 2.45794  0.166199  6.16317      0.817013 5.50406      1.09406  6.99414      1.22844  2.29925  0.237917  2.59228  0.236942  
1 1 1 41 35 18 o 2.66394  0.151975  7.22051      0.809701 6.5639       1.12279  7.93201      1.16878  2.51503  0.223216  2.77011  0.210962  
1 1 1 41 35 19 o 2.10441  0.163538  4.5212       0.688301 5.0206       0.928662 3.91245      1.02531  2.20267  0.210803  1.92527  0.266276  
1 1 1 41 35 20 o 3.16722  0.13218   10.1851      0.837289 8.37975      1.15173  12.2088      1.21937  2.84412  0.202477  3.44715  0.176866  
1 1 1 41 35 21 o 0.709401 0.302196  0.119655     0.754204 -0.271486    1.02873  0.574218     1.109    0.738092 0.332098  0.92201  0.377465  
1 1 1 41 35 22 o 0.884845 0.324366  0.780431     0.751198 1.08084      1.06308  0.480837     1.06163  1.02111  0.38381   0.87971  0.365737  
1 1 1 41 35 23 o 1.45892  0.279192  2.39171      0.785584 1.56871      1.08896  3.28482      1.1344   1.14837  0.393412  1.66643  0.351344  
1 1 1 41 35 24 o 1.9165   0.217119  3.91332      0.832216 3.48345      1.1173   4.44901      1.24726  1.71668  0.337448  1.9769   0.315459  
1 1 1 41 35 25 o 1.25821  0.329566  1.92623      0.839187 3.88144      1.16877  -0.154398    1.20567  1.79372  0.338172  0.780669 0.354654  
1 1 1 41 35 26 o 0.698947 0.307206  0.0874731    0.827171 0.651368     1.2286   -0.380047    1.1187   0.902137 0.385043  0.714664 0.330659  
1 1 1 41 35 27 o 1.4417   0.313386  2.57273      0.87836  2.66631      1.21512  2.47033      1.27115  1.36565  0.411275  1.29648  0.425051  
1 1 1 41 35 28 o 0.740859 0.322332  0.349154     0.891876 -0.208925    1.26872  0.894373     1.25402  0.740448 0.346239  0.897518 0.386218  
1 1 1 41 35 29 o 0.78771  0.339551  0.567425     0.972486 0.871273     1.35734  0.246947     1.39399  0.88493  0.390863  0.804078 0.370912  
1 1 1 41 35 30 f 0.545999 0.267325  -1.03322     0.982653 -1.711       1.35565  -0.282854    1.42641  0.590034 0.293457  0.708486 0.341125  
1 1 1 41 35 31 o 0.811991 0.349328  0.94328      1.02542  -0.129462    1.43262  2.07023      1.46837  0.712807 0.342878  0.984294 0.42055   
1 1 1 41 36 0  o 0.704061 0.371513  0.745188     0.689816 0.745188     0.689816 0.745188     0.689816 0.710619 0.321268  ?        ?         
1 1 1 41 36 1  o 2.27261  0.111205  5.19004      0.505452 4.92362      0.715174 5.45593      0.71446  2.20749  0.161988  2.32495  0.153651  
1 1 1 41 36 2  o 2.93446  0.0883619 8.63773      0.51859  8.82565      0.718215 8.43304      0.749584 2.96217  0.121231  2.89435  0.129491  
1 1 1 41 36 3  o 4.95662  0.0959336 24.6581      0.951014 25.3581      1.32086  23.9045      1.37038  5.01836  0.131603  4.87002  0.140695  
1 1 1 41 36 4  o 4.93698  0.103293  24.4777      1.01991  24.4316      1.41031  24.5282      1.47674  4.92255  0.14325   4.93041  0.149758  
1 1 1 41 36 5  o 1.73673  0.215132  3.07236      0.747253 3.14163      1.00888  2.98818      1.11221  1.74307  0.289397  1.6606   0.346243  
1 1 1 41 36 6  o 6.21227  0.0925023 38.7291      1.1493   37.6351      1.57896  39.9618      1.67609  6.11345  0.129139  6.29824  0.13306   
1 1 1 41 36 7  o 2.26828  0.159819  5.20386      0.725028 5.81979      1.02671  4.59121      1.02398  2.3878   0.21499   2.1151   0.242065  
1 1 1 41 36 8  o 1.52993  0.235859  2.40472      0.721697 2.56965      0.99849  2.2243       1.04432  1.53438  0.334645  1.41926  0.365721  
1 1 1 41 36 9  o 2.48005  0.154028  6.22396      0.763994 5.49378      1.08789  6.9345       1.07316  2.31207  0.235264  2.60583  0.205915  
1 1 1 41 36 10 o 3.80067  0.11421   14.5416      0.868149 14.9034      1.20129  14.1461      1.25603  3.83644  0.156563  3.73414  0.168183  
1 1 1 41 36 11 o 0.698409 0.298548  0.0363402    0.740627 0.110646     1.09867  -0.0255511   1.0027   0.851068 0.363707  0.791049 0.342932  
1 1 1 41 36 12 o 3.00363  0.141267  9.1255       0.848629 8.54424      1.24111  9.63588      1.16298  2.88474  0.215116  3.07254  0.189254  
1 1 1 41 36 13 o 2.48395  0.158639  6.26243      0.788104 5.32653      1.12047  7.17878      1.10871  2.267    0.247127  2.64489  0.209595  
1 1 1 41 36 14 o 0.786242 0.317123  0.353253     0.769234 0.219028     1.04921  0.509252     1.13112  0.851324 0.359264  0.936805 0.381981  
1 1 1 41 36 15 o 3.54248  0.133634  12.6983      0.946795 13.0925      1.27772  12.2184      1.40997  3.58053  0.178426  3.44772  0.204479  
1 1 1 41 36 16 o 1.20958  0.318314  1.62799      0.780553 1.50755      1.05635  1.77284      1.15843  1.17233  0.387477  1.2559   0.405564  
1 1 1 41 36 17 o 2.51439  0.162876  6.44898      0.819068 6.53832      1.13865  6.35318      1.17909  2.5086   0.226948  2.46784  0.238891  
1 1 1 41 36 18 o 1.00361  0.333036  1.06976      0.780368 1.15185      1.10402  0.987796     1.1032   1.07403  0.393277  1.03141  0.390139  
1 1 1 41 36 19 o 1.86776  0.229207  3.64904      0.856205 2.70793      1.27339  4.42559      1.15671  1.5098   0.41083   2.03304  0.284478  
1 1 1 41 36 20 o 1.81309  0.229467  3.45157      0.832089 2.61632      1.29294  4.04209      1.08714  1.4722   0.418988  1.93964  0.280244  
1 1 1 41 36 21 o 0.941211 0.333378  0.933579     0.787545 1.13737      1.15389  0.755866     1.07754  1.04964  0.398424  0.945814 0.377868  
1 1 1 41 36 22 o 2.27194  0.177883  5.36253      0.808278 4.46492      1.14205  6.2634       1.14411  2.01621  0.283217  2.42119  0.236271  
1 1 1 41 36 23 o 1.70154  0.23576   3.11017      0.802307 3.25552      1.08516  2.93492      1.19155  1.66104  0.338387  1.53797  0.387324  
1 1 1 41 36 24 f 1.72727  0.248951  3.27034      0.860012 4.47123      1.21461  2.06299      1.21787  1.97439  0.307592  1.25418  0.416047  
1 1 1 41 36 25 o 1.62016  0.268963  2.97113      0.871528 3.39758      1.26117  2.58135      1.20575  1.60278  0.39537   1.37699  0.408679  
1 1 1 41 36 26 o 0.736963 0.317686  0.254827     0.851317 0.599795     1.22695  -0.0654235   1.18218  0.885552 0.381559  0.770521 0.350347  
1 1 1 41 36 27 o 1.0805   0.355829  1.59859      0.890839 2.11622      1.2511   1.06625      1.26876  1.1736   0.419737  0.941018 0.395991  
1 1 1 41 36 28 o 0.914156 0.354611  1.11193      0.927964 1.40067      1.29591  0.808067     1.32941  0.982128 0.405934  0.880738 0.388198  
1 1 1 41 36 29 o 1.33888  0.356765  2.6926       0.972861 1.38141      1.34133  4.14796      1.41315  0.92054  0.397816  1.53432  0.438469  
1 1 1 41 36 30 o 0.982886 0.373486  1.71156      1.01487  2.62736      1.44329  0.815913     1.42733  1.08317  0.435419  0.805183 0.372905  
1 1 1 41 36 31 o 1.22839  0.38299   2.77533      1.04155  1.77583      1.44304  3.86232      1.50487  0.879987 0.394736  1.23643  0.458243  
1 1 1 41 37 0  o 4.63071  0.10478   21.5248      0.969287 21.5248      0.969287 21.5248      0.969287 4.63508  0.0739775 ?        ?         
1 1 1 41 37 1  o 1.59864  0.158274  2.5822       0.506046 2.83463      0.719815 2.33553      0.711572 1.66745  0.215843  1.5108   0.235495  
1 1 1 41 37 2  f 4.11025  0.0774425 16.9369      0.636616 16.0028      0.890114 17.9151      0.910867 3.9898   0.111549  4.22219  0.107867  
1 1 1 41 37 3  o 3.14851  0.106712  9.96216      0.671967 10.3705      0.982294 9.60301      0.92125  3.20392  0.153295  3.08389  0.149365  
1 1 1 41 37 4  o 2.03659  0.182114  4.21002      0.741781 4.82315      1.09868  3.69641      1.00557  2.16478  0.253764  1.89255  0.265665  
1 1 1 41 37 5  o 1.85164  0.191754  3.48901      0.710119 2.90982      1.01725  4.03955      0.99176  1.6411   0.321388  1.98046  0.250387  
1 1 1 41 37 6  o 3.54441  0.112861  12.6426      0.800051 11.8896      1.13199  13.3942      1.1309   3.42505  0.165252  3.63813  0.155423  
1 1 1 41 37 7  o 2.71736  0.142286  7.45932      0.773281 7.90001      1.08655  7.00702      1.10076  2.7842   0.195127  2.61818  0.210215  
1 1 1 41 37 8  o 4.70422  0.105045  22.2543      0.988313 23.0563      1.38379  21.4192      1.41201  4.77614  0.144865  4.60047  0.153464  
1 1 1 41 37 9  o 4.28304  0.111168  18.4666      0.952275 18.8915      1.35926  18.057       1.33452  4.31762  0.157409  4.22093  0.158084  
1 1 1 41 37 10 o 4.51802  0.111307  20.5565      1.00577  20.6032      1.37446  20.5028      1.47568  4.50921  0.152406  4.49347  0.164203  
1 1 1 41 37 11 o 2.31205  0.166969  5.4327       0.772081 4.323        1.09632  6.52463      1.0875   2.03643  0.269178  2.52022  0.215756  
1 1 1 41 37 12 o 1.22553  0.307574  1.64732      0.75334  1.73784      1.10108  1.56765      1.03295  1.25439  0.394321  1.19901  0.382546  
1 1 1 41 37 13 o 4.61911  0.110416  21.5012      1.02005  20.972       1.35328  22.1974      1.55224  4.5474   0.148797  4.6703   0.166182  
1 1 1 41 37 14 o 1.22445  0.323066  1.66249      0.802717 0.594517     1.07553  3.00548      1.20608  0.937496 0.376282  1.62864  0.377358  
1 1 1 41 37 15 o 2.7896   0.154348  7.91956      0.861135 8.6716       1.18479  7.07735      1.2538   2.90035  0.204249  2.60512  0.240641  
1 1 1 41 37 16 o 2.68542  0.152741  7.33883      0.820347 6.63612      1.12966  8.12286      1.19324  2.52871  0.223367  2.80234  0.2129    
1 1 1 41 37 17 o 1.18519  0.326606  1.57133      0.798573 1.63879      1.15287  1.50911      1.10722  1.2126   0.404792  1.17267  0.396696  
1 1 1 41 37 18 o 2.26356  0.187139  5.28074      0.847201 5.03976      1.22496  5.5017       1.17298  2.1708   0.282145  2.28068  0.257155  
1 1 1 41 37 19 o 1.13629  0.340687  1.4644       0.83505  0.826189     1.19     2.08353      1.17208  0.998227 0.397633  1.32674  0.404805  
1 1 1 41 37 20 o 1.37039  0.314541  2.14764      0.844313 2.23078      1.22078  2.0714       1.16898  1.35043  0.413351  1.30719  0.405378  
1 1 1 41 37 21 o 0.596564 0.27597   -0.482894    0.778818 0.114892     1.16101  -0.971971    1.05015  0.833431 0.365149  0.641244 0.304035  
1 1 1 41 37 22 o 1.73136  0.229674  3.20388      0.795299 3.0375       1.08023  3.4008       1.17521  1.59813  0.347666  1.68452  0.359422  
1 1 1 41 37 23 o 1.38375  0.30456   2.24362      0.820092 2.11086      1.14106  2.38547      1.17947  1.28143  0.401136  1.3587   0.404395  
1 1 1 41 37 24 o 0.758129 0.319246  0.346695     0.825553 1.77835      1.1907   -0.978588    1.14562  1.15856  0.409967  0.655773 0.313289  
1 1 1 41 37 25 o 1.01196  0.344648  1.27329      0.835737 1.19981      1.19675  1.34323      1.16761  1.00474  0.399219  1.03539  0.398571  
1 1 1 41 37 26 o 1.0745   0.359657  1.55658      0.91011  0.971504     1.21968  2.2916       1.36708  0.930242 0.389705  1.21568  0.438363  
1 1 1 41 37 27 o 1.31653  0.346984  2.37871      0.926608 0.961935     1.29873  3.84766      1.32243  0.906569 0.39161   1.60325  0.410614  
1 1 1 41 37 28 o 0.70026  0.314597  0.178863     0.919687 0.409654     1.32886  -0.0333107   1.27413  0.808085 0.368499  0.743619 0.347432  
1 1 1 41 37 29 o 0.912043 0.364773  1.37524      1.00565  2.34936      1.401    0.339822     1.44441  1.05714  0.427318  0.764415 0.360166  
1 1 1 41 37 30 o 1.15605  0.380277  2.33576      1.01746  1.62167      1.43964  3.0484       1.43817  0.907124 0.40136   1.1658   0.444133  
1 1 1 41 38 0  o 3.99386  0.11492   16.0428      0.916232 16.0428      0.916232 16.0428      0.916232 3.99964  0.0810666 ?        ?         
1 1 1 41 38 1  o 3.54306  0.0858735 12.5994      0.60851  12.3152      0.86302  12.8804      0.858128 3.49614  0.123425  3.5762   0.119978  
1 1 1 41 38 2  o 3.01416  0.0940147 9.12529      0.56675  9.90005      0.780671 8.26193      0.824103 3.13438  0.124534  2.85964  0.144092  
1 1 1 41 38 3  o 2.29502  0.131035  5.31252      0.601457 5.83033      0.899939 4.89453      0.808558 2.39356  0.187992  2.19382  0.184281  
1 1 1 41 38 4  o 0.873353 0.327498  0.63456      0.773123 0.0527338    1.08865  1.22658      1.09814  0.839151 0.360439  1.115    0.393794  
1 1 1 41 38 5  f 2.80243  0.138037  7.92973      0.773678 8.51093      1.12268  7.40408      1.06768  2.88973  0.194254  2.69426  0.19814   
1 1 1 41 38 6  o 0.924104 0.322435  0.8254       0.734278 1.52256      1.04002  0.132497     1.03684  1.19274  0.384188  0.83535  0.35504   
1 1 1 41 38 7  o 0.835032 0.325954  0.498164     0.786585 -0.331745    1.12302  1.2974       1.10207  0.782773 0.349748  1.1316   0.395001  
1 1 1 41 38 8  o 3.47964  0.129233  12.223       0.899366 11.3089      1.20292  13.3817      1.35429  3.33197  0.180511  3.62208  0.186949  
1 1 1 41 38 9  o 1.94644  0.198655  3.87557      0.773342 3.60371      1.08852  4.15264      1.0989   1.85231  0.293826  1.99416  0.275528  
1 1 1 41 38 10 o 2.74644  0.13959   7.63068      0.766748 7.79197      1.08648  7.47065      1.08222  2.75958  0.196857  2.70099  0.200337  
1 1 1 41 38 11 o 2.81211  0.141408  8.0058       0.795308 8.02494      1.15748  7.98869      1.09462  2.79565  0.207015  2.79312  0.19595   
1 1 1 41 38 12 o 1.23531  0.321575  1.68764      0.802122 1.16714      1.09094  2.30014      1.18344  1.08587  0.391591  1.42025  0.399784  
1 1 1 41 38 13 o 2.92891  0.152532  8.7173       0.893507 8.89211      1.20236  8.50171      1.33529  2.93956  0.204513  2.86217  0.233266  
1 1 1 41 38 14 o 2.44727  0.168556  6.11608      0.825    6.66429      1.13525  5.50258      1.20097  2.53468  0.223944  2.28787  0.262465  
1 1 1 41 38 15 o 3.90709  0.131476  15.4656      1.02738  14.2394      1.47168  16.6314      1.43489  3.71858  0.197882  4.02991  0.17803   
1 1 1 41 38 16 f 0.892378 0.333027  0.719        0.79755  0.2422       1.1513   1.15893      1.10589  0.878724 0.373818  1.07554  0.393631  
1 1 1 41 38 17 o 3.54773  0.133664  12.7832      0.948408 12.7923      1.36716  12.7748      1.31676  3.51913  0.194247  3.52083  0.186996  
1 1 1 41 38 18 o 3.52075  0.135218  12.6058      0.95214  12.4535      1.3992   12.7372      1.29939  3.46406  0.20196   3.51366  0.184905  
1 1 1 41 38 19 o 1.39405  0.311976  2.21508      0.847934 3.27153      1.25495  1.32762      1.15021  1.65439  0.385974  1.1009   0.401585  
1 1 1 41 38 20 o 1.0892   0.340986  1.37846      0.82449  2.62335      1.15826  0.099693     1.17391  1.46451  0.388838  0.835262 0.366553  
1 1 1 41 38 21 o 0.592049 0.274978  -0.513992    0.783233 0.416073     1.15748  -1.29955     1.06376  0.881582 0.37492   0.608493 0.293374  
1 1 1 41 38 22 o 1.09291  0.341542  1.43184      0.827671 0.803683     1.19888  2.00387      1.14405  0.955745 0.392067  1.25404  0.402846  
1 1 1 41 38 23 o 1.84092  0.227567  3.68282      0.837866 2.88123      1.17516  4.51161      1.19493  1.48899  0.389988  1.97723  0.302173  
1 1 1 41 38 24 o 1.56786  0.290691  2.90035      0.877321 3.13866      1.28002  2.68921      1.20483  1.51582  0.411645  1.404    0.406051  
1 1 1 41 38 25 o 0.659545 0.298297  -0.096942    0.840725 0.0259431    1.16471  -0.230622    1.21479  0.76994  0.34946   0.747272 0.345295  
1 1 1 41 38 26 o 1.04504  0.356376  1.51763      0.893579 2.32035      1.2814   0.757758     1.24674  1.20602  0.425442  0.874901 0.380883  
1 1 1 41 38 27 f 0.555986 0.268059  -0.82809     0.888126 -0.784437    1.24115  -0.873895    1.2714   0.663956 0.319322  0.662483 0.31973   
1 1 1 41 38 28 o 0.655077 0.301594  0.0402625    0.915967 -0.223273    1.33836  0.272465     1.25628  0.705637 0.337471  0.747193 0.347504  
1 1 1 41 38 29 o 0.557051 0.272514  -0.956958    1.01574  -0.772925    1.44682  -1.13582     1.42634  0.663131 0.324603  0.634127 0.312441  
1 1 1 41 38 30 f 0.547361 0.26824   -0.731681    0.995046 -1.63267     1.40629  0.171655     1.40812  0.565187 0.283966  0.683907 0.331234  
1 1 1 41 39 0  o 0.602339 0.357258  0.449054     0.731901 0.449054     0.731901 0.449054     0.731901 0.560738 0.313197  ?        ?         
1 1 1 41 39 1  o 4.50264  0.0816137 20.3447      0.734954 19.4159      1.05965  21.2057      1.02023  4.38954  0.120702  4.59006  0.111135  
1 1 1 41 39 2  o 5.62821  0.0781873 31.7794      0.880109 32.7691      1.30717  30.9588      1.19034  5.70455  0.114573  5.5471   0.107294  
1 1 1 41 39 3  o 0.941072 0.311268  0.902187     0.68169  0.581761     1.00591  1.17432      0.927023 0.923888 0.36635   1.07108  0.362983  
1 1 1 41 39 4  o 3.94113  0.122063  15.6601      0.962136 16.4412      1.35965  14.8767      1.36169  4.02311  0.16898   3.82362  0.178062  
1 1 1 41 39 5  o 1.10405  0.323878  1.32017      0.761235 1.64413      1.10714  1.02969      1.04836  1.23048  0.396396  1.04762  0.383272  
1 1 1 41 39 6  o 4.76128  0.104871  22.8132      0.998644 21.7175      1.35047  24.1354      1.48347  4.63188  0.14578   4.88035  0.151984  
1 1 1 41 39 7  o 2.7231   0.150079  7.5129       0.81736  8.0988       1.1613   6.93774      1.15062  2.81093  0.206569  2.5969   0.221536  
1 1 1 41 39 8  o 3.96234  0.111769  15.8173      0.885731 15.6494      1.27281  15.975       1.23334  3.92514  0.162136  3.96826  0.155401  
1 1 1 41 39 9  o 5.48312  0.102     30.2569      1.11856  30.1609      1.52745  30.368       1.64257  5.45886  0.139906  5.47263  0.150071  
1 1 1 41 39 10 o 1.06154  0.328748  1.21552      0.769152 1.69134      1.08886  0.741653     1.08663  1.23671  0.392581  0.976625 0.382724  
1 1 1 41 39 11 o 3.18677  0.144407  10.2975      0.920383 9.23632      1.26969  11.4726      1.33608  2.99428  0.212019  3.3426   0.199856  
1 1 1 41 39 12 o 3.01154  0.146216  9.20922      0.880674 8.96951      1.17796  9.513        1.32608  2.95297  0.199454  3.03262  0.218636  
1 1 1 41 39 13 o 2.4418   0.174197  6.09813      0.850706 6.14501      1.19821  6.05048      1.20801  2.42407  0.24715   2.40357  0.251294  
1 1 1 41 39 14 o 1.88378  0.213315  3.67172      0.803677 3.52592      1.1674   3.80307      1.10806  1.77761  0.340506  1.88911  0.293275  
1 1 1 41 39 15 o 2.19595  0.193724  4.96691      0.850814 3.56583      1.20797  6.34621      1.19855  1.77857  0.352116  2.46151  0.243457  
1 1 1 41 39 16 o 2.75389  0.152052  7.73762      0.837468 8.38537      1.18856  7.09895      1.1802   2.84188  0.209116  2.60656  0.22639   
1 1 1 41 39 17 f 0.846449 0.328242  0.590484     0.794952 -0.171284    1.12526  1.34947      1.12321  0.789794 0.351566  1.1161   0.397851  
1 1 1 41 39 18 o 0.715832 0.311769  0.0200131    0.836022 -0.592895    1.24085  0.529516     1.13135  0.76023  0.350403  0.911709 0.378205  
1 1 1 41 39 19 o 1.79325  0.241748  3.4406       0.867031 3.72787      1.24562  3.1706       1.2076   1.77439  0.363522  1.62157  0.378821  
1 1 1 41 39 20 o 1.95663  0.236046  4.09891      0.923708 4.6261       1.29152  3.54684      1.32165  2.02372  0.319095  1.69553  0.396438  
1 1 1 41 39 21 o 0.943    0.344152  0.965351     0.844827 1.4064       1.19456  0.524001     1.19497  1.0945   0.407748  0.901872 0.382138  
1 1 1 41 39 22 o 2.13124  0.199343  4.83471      0.849696 5.53676      1.19115  4.10735      1.21244  2.22629  0.267519  1.84272  0.341798  
1 1 1 41 39 23 o 0.561918 0.26913   -0.874427    0.859085 -1.96807     1.18637  0.331278     1.24566  0.578872 0.285152  0.851956 0.375608  
1 1 1 41 39 24 o 1.3886   0.317658  2.38259      0.86347  3.56295      1.2708   1.37027      1.17687  1.6242   0.394555  1.03281  0.399614  
1 1 1 41 39 25 o 0.568946 0.270214  -0.620514    0.832653 -0.845724    1.1271   -0.349931    1.23543  0.639858 0.306895  0.722189 0.338555  
1 1 1 41 39 26 o 0.719671 0.317042  0.275992     0.885168 -0.447401    1.24627  1.01242      1.25744  0.70239  0.332167  0.908583 0.388719  
1 1 1 41 39 27 o 0.856174 0.343864  1.01803      0.899009 0.136276     1.2457   1.97646      1.29874  0.741953 0.345441  1.04653  0.415864  
1 1 1 41 39 28 o 0.80124  0.34067   0.909282     0.955244 1.14968      1.31678  0.64223      1.38786  0.847244 0.378633  0.783898 0.364835  
1 1 1 41 39 29 o 0.592707 0.285562  -0.470645    1.00353  -0.215645    1.42809  -0.719394    1.41048  0.689442 0.333855  0.648721 0.318377  
1 1 1 41 40 0  f 1.49137  0.312784  2.54451      0.821368 2.54451      0.821368 2.54451      0.821368 1.55216  0.193908  ?        ?         
1 1 1 41 40 1  o 1.47144  0.189664  2.21006      0.558159 2.62661      0.783594 1.78102      0.795249 1.59305  0.245941  1.27443  0.313698  
1 1 1 41 40 2  o 2.79257  0.102635  7.84599      0.573232 8.00113      0.807875 7.68869      0.8135   2.81184  0.143656  2.75548  0.147615  
1 1 1 41 40 3  o 5.6196   0.0998014 31.7631      1.12169  32.4223      1.64767  31.1937      1.53133  5.65917  0.145575  5.55441  0.137848  
1 1 1 41 40 4  o 2.95391  0.158421  8.85427      0.935921 8.12915      1.32856  9.56865      1.31868  2.80528  0.236796  3.05171  0.216057  
1 1 1 41 40 5  o 4.46478  0.106066  20.0678      0.947123 19.9431      1.32644  20.1976      1.35282  4.43628  0.149499  4.4637   0.151535  
1 1 1 41 40 6  o 6.05165  0.100824  36.8482      1.22031  37.1459      1.72486  36.5499      1.72669  6.0574   0.142376  6.00793  0.143701  
1 1 1 41 40 7  o 4.37969  0.11544   19.3402      1.01118  19.516       1.4786   19.1858      1.38595  4.37876  0.168838  4.34568  0.159463  
1 1 1 41 40 8  o 2.93435  0.141288  8.72048      0.829181 8.44009      1.13121  9.04606      1.21897  2.86943  0.197115  2.96755  0.205384  
1 1 1 41 40 9  o 3.69733  0.1207    13.8029      0.892538 12.5974      1.22948  15.1459      1.29777  3.51358  0.174961  3.85551  0.168301  
1 1 1 41 40 10 o 2.68668  0.165504  7.35761      0.889315 8.65736      1.25378  6.04154      1.26162  2.89495  0.216545  2.4003   0.262805  
1 1 1 41 40 11 o 1.36585  0.30639   2.0648       0.816256 1.85107      1.10611  2.32036      1.20954  1.27656  0.394014  1.41543  0.406028  
1 1 1 41 40 12 o 2.72678  0.157293  7.57433      0.857807 8.22477      1.2015   6.89812      1.22508  2.81991  0.213039  2.57186  0.238171  
1 1 1 41 40 13 o 1.6821   0.239301  2.95372      0.805057 4.35072      1.18935  1.77238      1.0937   2.01969  0.294438  1.25013  0.393001  
1 1 1 41 40 14 o 1.22668  0.316397  1.68801      0.781077 0.809848     1.08305  2.63977      1.12752  0.979449 0.382447  1.512    0.374359  
1 1 1 41 40 15 o 2.12373  0.196889  4.66394      0.836277 5.18344      1.16977  4.12086      1.19601  2.2097   0.26469   1.95104  0.306507  
1 1 1 41 40 16 o 1.48456  0.278259  2.42665      0.795665 2.49645      1.13604  2.35946      1.11474  1.45421  0.384629  1.41408  0.38421   
1 1 1 41 40 17 o 1.2998   0.317721  1.93964      0.820128 2.4222       1.19401  1.50863      1.12844  1.41053  0.403025  1.14673  0.399753  
1 1 1 41 40 18 o 1.81331  0.242277  3.51899      0.878649 2.62952      1.22696  4.45528      1.25884  1.45608  0.406165  1.99572  0.315387  
1 1 1 41 40 19 o 2.68753  0.174392  7.50008      0.937371 7.56846      1.29798  7.42554      1.35515  2.65237  0.244684  2.61613  0.258998  
1 1 1 41 40 20 o 1.88339  0.231876  3.81424      0.873426 2.43231      1.2788   5.0226       1.1958   1.36746  0.423977  2.12638  0.281181  
1 1 1 41 40 21 o 0.846349 0.329234  0.689981     0.80107  1.25132      1.12005  0.102152     1.14617  1.03558  0.392697  0.805515 0.357043  
1 1 1 41 40 22 o 0.624305 0.288419  -0.38336     0.847023 -1.33601     1.16041  0.703061     1.23921  0.622381 0.301306  0.915107 0.388517  
1 1 1 41 40 23 f 1.87023  0.229593  3.85723      0.858785 3.70271      1.24296  3.99836      1.18792  1.68351  0.378393  1.78919  0.344254  
1 1 1 41 40 24 o 1.81233  0.244879  3.7521       0.887604 1.25904      1.23052  6.45623      1.28156  0.982534 0.399152  2.34165  0.273644  
1 1 1 41 40 25 o 0.725802 0.320476  0.268875     0.911518 -0.432447    1.29146  0.965047     1.28671  0.715815 0.338337  0.90516  0.390382  
1 1 1 41 40 26 o 0.51653  0.253376  -1.19893     0.891472 -0.163169    1.26724  -2.2137      1.25433  0.726234 0.340889  0.553602 0.276297  
1 1 1 41 40 27 o 0.625543 0.293112  -0.137602    0.922098 -0.758826    1.30552  0.480809     1.30257  0.644392 0.313972  0.768333 0.355991  
1 1 1 41 40 28 o 1.47074  0.363513  3.38399      1.06453  1.67613      1.49217  5.15412      1.51913  0.919673 0.407547  1.66001  0.447397  
1 1 1 41 40 29 o 0.585406 0.28324   -0.322498    1.01977  -0.857621    1.43311  0.226371     1.4514   0.6075   0.302085  0.683947 0.332795  
1 1 1 41 41 0  o 5.40984  0.172473  29.619       1.86181  29.619       1.86181  29.619       1.86181  5.42607  0.12145   ?        ?         
1 1 1 41 41 1  o 0.640145 0.374908  0.542911     0.789549 0.542911     0.789549 0.542911     0.789549 0.604842 0.329872  ?        ?         
1 1 1 41 41 2  o 6.79874  0.121095  46.4741      1.64541  46.4741      1.64541  46.4741      1.64541  6.80792  0.0854807 ?        ?         
1 1 1 41 41 3  o 2.95153  0.203307  8.94367      1.18705  8.94367      1.18705  8.94367      1.18705  2.97127  0.141988  ?        ?         
1 1 1 41 41 4  o 6.4223   0.169973  41.704       2.17978  41.704       2.17978  41.704       2.17978  6.43997  0.119763  ?        ?         
1 1 1 41 41 5  o 4.26867  0.17222   18.4816      1.46487  18.4816      1.46487  18.4816      1.46487  4.28384  0.121117  ?        ?         
1 1 1 41 41 6  o 0.669515 0.418005  0.413706     1.11138  0.413706     1.11138  0.413706     1.11138  0.600561 0.363414  ?        ?         
1 1 1 41 41 7  f 2.23267  0.270733  5.31659      1.16873  5.31659      1.16873  5.31659      1.16873  2.27094  0.184768  ?        ?         
1 1 1 41 41 8  o 3.35806  0.18817   11.5219      1.2547   11.5219      1.2547   11.5219      1.2547   3.37642  0.131839  ?        ?         
1 1 1 41 41 9  o 1.01298  0.493326  1.6424       1.16517  1.6424       1.16517  1.6424       1.16517  1.08062  0.408439  ?        ?         
1 1 1 41 41 10 o 1.2717   0.495185  2.35066      1.19566  2.35066      1.19566  2.35066      1.19566  1.397    0.350241  ?        ?         
1 1 1 41 41 11 o 0.401484 0.290311  -1.56332     1.07414  -1.56332     1.07414  -1.56332     1.07414  0.303423 0.222908  ?        ?         
1 1 1 41 41 12 o 2.7263   0.218146  7.7084       1.17195  7.7084       1.17195  7.7084       1.17195  2.75184  0.151622  ?        ?         
1 1 1 41 41 13 o 0.647347 0.410522  0.325332     1.12014  0.325332     1.12014  0.325332     1.12014  0.573956 0.355812  ?        ?         
1 1 1 41 41 14 o 3.10077  0.203691  9.91123      1.25069  9.91123      1.25069  9.91123      1.25069  3.12478  0.14218   ?        ?         
1 1 1 41 41 15 o 3.02624  0.21372   9.49441      1.27872  9.49441      1.27872  9.49441      1.27872  3.05427  0.148826  ?        ?         
1 1 1 41 41 16 o 0.747265 0.447165  0.793567     1.16353  0.793567     1.16353  0.793567     1.16353  0.711927 0.396006  ?        ?         
1 1 1 41 41 17 o 0.891591 0.492462  1.34978      1.26009  1.34978      1.26009  1.34978      1.26009  0.914581 0.432914  ?        ?         
1 1 1 41 41 18 o 0.577984 0.388482  -0.178443    1.23028  -0.178443    1.23028  -0.178443    1.23028  0.485519 0.326437  ?        ?         
1 1 1 41 41 19 o 0.566548 0.379914  -0.128179    1.16425  -0.128179    1.16425  -0.128179    1.16425  0.478263 0.320338  ?        ?         
1 1 1 41 41 20 o 0.483942 0.339282  -0.787677    1.16906  -0.787677    1.16906  -0.787677    1.16906  0.38688  0.274739  ?        ?         
1 1 1 41 41 21 o 1.6048   0.421971  3.36073      1.16751  3.36073      1.16751  3.36073      1.16751  1.73749  0.253511  ?        ?         
1 1 1 41 41 22 o 3.01447  0.234495  9.71993      1.39408  9.71993      1.39408  9.71993      1.39408  3.06716  0.161724  ?        ?         
1 1 1 41 41 23 o 0.808523 0.463575  1.24156      1.17023  1.24156      1.17023  1.24156      1.17023  0.840944 0.414716  ?        ?         
1 1 1 41 41 24 o 0.529154 0.364586  -0.255016    1.20566  -0.255016    1.20566  -0.255016    1.20566  0.449064 0.308555  ?        ?         
1 1 1 41 41 25 o 0.889341 0.493024  1.67927      1.26937  1.67927      1.26937  1.67927      1.26937  0.981757 0.435806  ?        ?         
1 1 1 41 41 26 o 0.470582 0.334873  -0.729341    1.2465   -0.729341    1.2465   -0.729341    1.2465   0.389817 0.278319  ?        ?         
1 1 1 41 41 27 o 0.718649 0.456077  1.18515      1.38481  1.18515      1.38481  1.18515      1.38481  0.738922 0.423914  ?        ?         
1 1 1 41 41 28 o 2.58237  0.324629  8.57752      1.617    8.57752      1.617    8.57752      1.617    2.76387  0.209619  ?        ?         
1 1 1 42 0  0  o 11.4479  0.205146  131.244      4.69359  131.244      4.69359  131.244      4.69359  11.452   0.144955  ?        ?         
1 1 1 42 0  1  o 10.2922  0.126002  105.997      2.5928   105.997      2.5928   105.997      2.5928   10.2939  0.0890676 ?        ?         
1 1 1 42 0  2  o 8.67454  0.109707  75.2941      1.90263  75.2941      1.90263  75.2941      1.90263  8.67588  0.0775488 ?        ?         
1 1 1 42 0  3  o 6.30827  0.105243  39.8326      1.32697  39.8326      1.32697  39.8326      1.32697  6.30979  0.0743767 ?        ?         
1 1 1 42 0  4  o 15.8764  0.183651  252.265      5.82968  252.265      5.82968  252.265      5.82968  15.8796  0.129815  ?        ?         
1 1 1 42 0  5  o 4.21586  0.129713  17.8276      1.09136  17.8276      1.09136  17.8276      1.09136  4.21908  0.0915518 ?        ?         
1 1 1 42 0  6  o 16.905   0.180278  285.995      6.09364  285.995      6.09364  285.995      6.09364  16.9082  0.127435  ?        ?         
1 1 1 42 0  7  o 21.1886  0.212033  449.364      8.98335  449.364      8.98335  449.364      8.98335  21.1934  0.149879  ?        ?         
1 1 1 42 0  8  o 1.31513  0.330785  2.02738      0.751558 2.02738      0.751558 2.02738      0.751558 1.37973  0.206464  ?        ?         
1 1 1 42 0  9  o 4.64266  0.106312  21.5918      0.985968 21.5918      0.985968 21.5918      0.985968 4.64468  0.0750962 ?        ?         
1 1 1 42 0  10 o 20.2463  0.246472  410.502      9.97699  410.502      9.97699  410.502      9.97699  20.2536  0.174191  ?        ?         
1 1 1 42 0  11 o 19.3231  0.200348  373.778      7.74079  373.778      7.74079  373.778      7.74079  19.3282  0.141612  ?        ?         
1 1 1 42 0  12 o 5.34111  0.113606  28.574       1.21233  28.574       1.21233  28.574       1.21233  5.34329  0.0802579 ?        ?         
1 1 1 42 0  13 o 12.7114  0.142729  161.721      3.62755  161.721      3.62755  161.721      3.62755  12.7142  0.100888  ?        ?         
1 1 1 42 0  14 o 3.17839  0.150243  10.1758      0.9502   10.1758      0.9502   10.1758      0.9502   3.18422  0.105768  ?        ?         
1 1 1 42 0  15 o 0.487323 0.325538  -0.215965    0.836893 -0.215965    0.836893 -0.215965    0.836893 0.397391 0.267812  ?        ?         
1 1 1 42 0  16 o 3.92248  0.134271  15.4494      1.05056  15.4494      1.05056  15.4494      1.05056  3.92653  0.0947188 ?        ?         
1 1 1 42 0  17 o 11.73    0.131998  137.74       3.09578  137.74       3.09578  137.74       3.09578  11.7331  0.0932983 ?        ?         
1 1 1 42 0  18 o 4.72362  0.122762  22.3744      1.158    22.3744      1.158    22.3744      1.158    4.7269   0.0866792 ?        ?         
1 1 1 42 0  19 o 1.79131  0.273586  3.43657      0.911534 3.43657      0.911534 3.43657      0.911534 1.82592  0.180551  ?        ?         
1 1 1 42 0  20 o 3.16184  0.151488  10.0805      0.952948 10.0805      0.952948 10.0805      0.952948 3.16846  0.106608  ?        ?         
1 1 1 42 0  21 o 1.87116  0.243418  3.68982      0.876436 3.68982      0.876436 3.68982      0.876436 1.8975   0.166237  ?        ?         
1 1 1 42 0  22 o 1.05182  0.430816  1.56532      0.889579 1.56532      0.889579 1.56532      0.889579 1.13321  0.320802  ?        ?         
1 1 1 42 0  23 o 1.83831  0.27462   3.6182       0.942085 3.6182       0.942085 3.6182       0.942085 1.87332  0.181727  ?        ?         
1 1 1 42 0  24 o 7.23386  0.117055  52.4468      1.69253  52.4468      1.69253  52.4468      1.69253  7.23796  0.0826993 ?        ?         
1 1 1 42 0  25 o 0.45066  0.313549  -0.741425    0.960805 -0.741425    0.960805 -0.741425    0.960805 0.351015 0.249226  ?        ?         
1 1 1 42 0  26 o 0.569226 0.370273  0.0148291    0.982565 0.0148291    0.982565 0.0148291    0.982565 0.481201 0.312349  ?        ?         
1 1 1 42 0  27 o 3.61163  0.180201  13.2106      1.29425  13.2106      1.29425  13.2106      1.29425  3.62317  0.126645  ?        ?         
1 1 1 42 0  28 o 1.83645  0.388338  3.86096      1.25418  3.86096      1.25418  3.86096      1.25418  1.91176  0.240508  ?        ?         
1 1 1 42 0  29 o 0.675962 0.421023  0.398119     1.11905  0.398119     1.11905  0.398119     1.11905  0.602991 0.364781  ?        ?         
1 1 1 42 0  30 o 0.682937 0.428341  0.378767     1.18376  0.378767     1.18376  0.378767     1.18376  0.605813 0.370582  ?        ?         
1 1 1 42 0  31 o 0.640579 0.412277  0.180909     1.17292  0.180909     1.17292  0.180909     1.17292  0.554963 0.352557  ?        ?         
1 1 1 42 0  32 o 2.82084  0.22587   8.232        1.25549  8.232        1.25549  8.232        1.25549  2.84536  0.157097  ?        ?         
1 1 1 42 0  33 o 2.91302  0.226961  8.79731      1.30382  8.79731      1.30382  8.79731      1.30382  2.94009  0.157827  ?        ?         
1 1 1 42 0  34 o 2.25136  0.291845  5.47699      1.26463  5.47699      1.26463  5.47699      1.26463  2.29818  0.197929  ?        ?         
1 1 1 42 0  35 o 0.546099 0.374869  -0.531201    1.25193  -0.531201    1.25193  -0.531201    1.25193  0.442774 0.307425  ?        ?         
1 1 1 42 0  36 o 1.98005  0.36638   4.55184      1.30255  4.55184      1.30255  4.55184      1.30255  2.06632  0.22931   ?        ?         
1 1 1 42 0  37 o 0.594132 0.395923  -0.0249508   1.22002  -0.0249508   1.22002  -0.0249508   1.22002  0.507701 0.336683  ?        ?         
1 1 1 42 0  38 o 0.875361 0.500627  1.41435      1.36087  1.41435      1.36087  1.41435      1.36087  0.903602 0.446957  ?        ?         
1 1 1 42 0  39 o 1.21026  0.548493  2.66502      1.42193  2.66502      1.42193  2.66502      1.42193  1.39495  0.414755  ?        ?         
1 1 1 42 0  40 o 0.618404 0.429686  -0.246337    1.75757  -0.246337    1.75757  -0.246337    1.75757  0.536623 0.369872  ?        ?         
1 1 1 42 0  41 o 0.537495 0.384234  -0.816685    1.69454  -0.816685    1.69454  -0.816685    1.69454  0.455279 0.324935  ?        ?         
1 1 1 42 0  42 o 0.915759 0.552468  2.54002      1.80381  2.54002      1.80381  2.54002      1.80381  1.0743   0.51691   ?        ?         
1 1 1 42 1  0  o 7.47699  0.11543   55.9542      1.72522  55.9542      1.72522  55.9542      1.72522  7.47862  0.0815819 ?        ?         
1 1 1 42 1  1  o 30.4556  0.233752  928.751      14.2381  934.677      20.2575  922.965      20.0162  30.5322  0.331739  30.3408  0.329856  
1 1 1 42 1  2  o 18.7181  0.144352  350.544      5.40402  347.856      7.29439  353.815      8.04558  18.6423  0.195641  18.7995  0.213984  
1 1 1 42 1  3  o 13.7616  0.114761  189.441      3.15858  189.41       4.46301  189.473      4.47083  13.7582  0.162195  13.7604  0.162452  
1 1 1 42 1  4  o 9.00464  0.0831157 81.0976      1.49685  79.0129      2.13686  83.1061      2.09744  8.88729  0.12022   9.11473  0.115058  
1 1 1 42 1  5  o 11.2418  0.0919148 126.405      2.06657  125.541      2.95467  127.232      2.89149  11.202   0.131882  11.2773  0.128199  
1 1 1 42 1  6  o 13.4699  0.0976358 181.486      2.63029  182.492      3.73442  180.495      3.70534  13.5054  0.138256  13.4314  0.137936  
1 1 1 42 1  7  o 20.0732  0.140512  403.158      5.64103  401.268      7.85695  405.17       8.10404  20.0207  0.196221  20.1172  0.20142   
1 1 1 42 1  8  o 9.68808  0.081469  93.8774      1.57856  94.8992      2.25205  92.8906      2.21328  9.73967  0.115612  9.63607  0.114844  
1 1 1 42 1  9  o 5.54689  0.0728841 30.7731      0.808559 30.4735      1.12186  31.097       1.16639  5.51937  0.101629  5.5755   0.1046    
1 1 1 42 1  10 o 20.0654  0.153878  402.957      6.17527  402.442      8.96753  403.421      8.51623  20.0432  0.223705  20.0693  0.21217   
1 1 1 42 1  11 o 5.80929  0.0756019 33.7556      0.878386 34.0747      1.19752  33.384       1.29234  5.8361   0.102596  5.77642  0.111863  
1 1 1 42 1  12 o 2.44285  0.129572  5.97209      0.633051 4.71658      0.875927 7.34496      0.915951 2.16973  0.201852  2.70837  0.169096  
1 1 1 42 1  13 o 10.3836  0.0851547 107.858      1.76842  107.98       2.54687  107.746      2.45738  10.3874  0.122595  10.3764  0.118413  
1 1 1 42 1  14 o 11.5218  0.0940545 132.819      2.16736  130.897      3.02665  134.842      3.10506  11.4354  0.132338  11.6062  0.133767  
1 1 1 42 1  15 o 2.74551  0.114276  7.5441       0.62749  8.05997      0.894765 7.04485      0.880224 2.83674  0.15771   2.65186  0.165963  
1 1 1 42 1  16 o 11.8259  0.101212  139.957      2.39384  137.874      3.18085  142.677      3.63528  11.734   0.13554   11.9346  0.152301  
1 1 1 42 1  17 o 11.341   0.097363  128.724      2.20839  130.959      3.34106  126.991      2.94295  11.4331  0.146113  11.2607  0.130674  
1 1 1 42 1  18 o 5.80826  0.0787876 33.7578      0.915239 35.3659      1.3508   32.3931      1.24442  5.94294  0.113648  5.68796  0.109391  
1 1 1 42 1  19 o 6.57487  0.078185  43.2595      1.02811  43.1193      1.4896   43.3871      1.42078  6.56162  0.113509  6.58244  0.107922  
1 1 1 42 1  20 o 7.34104  0.0775939 53.9349      1.13924  53.3458      1.59589  54.547       1.62681  7.2979   0.109339  7.37952  0.110225  
1 1 1 42 1  21 f 2.71716  0.12009   7.39904      0.652606 6.37864      0.909599 8.48151      0.936854 2.51933  0.180524  2.90654  0.161163  
1 1 1 42 1  22 o 6.22375  0.0801708 38.779       0.997926 38.7572      1.41955  38.8002      1.40315  6.21835  0.114142  6.22198  0.112757  
1 1 1 42 1  23 o 8.82631  0.0847794 78.0161      1.49658  76.7942      2.08961  79.3029      2.14442  8.75078  0.119396  8.89231  0.120577  
1 1 1 42 1  24 f 6.9442   0.0832547 48.2967      1.15627  49.2185      1.65234  47.4121      1.61861  7.00474  0.117945  6.87504  0.117717  
1 1 1 42 1  25 o 2.87542  0.134364  8.30767      0.772705 7.33198      1.07715  9.34209      1.10909  2.69361  0.199944  3.0432   0.182225  
1 1 1 42 1  26 f 0.547886 0.257581  -0.777118    0.730977 -0.927318    1.03194  -0.625853    1.03559  0.669796 0.312836  0.714067 0.325539  
1 1 1 42 1  27 o 3.32306  0.130864  11.1083      0.86974  11.1296      1.2726   11.0896      1.1914   3.31483  0.191956  3.31143  0.179893  
1 1 1 42 1  28 o 4.99355  0.113404  25.0522      1.13258  23.5174      1.57853  26.6807      1.62594  4.82583  0.16355   5.14179  0.158111  
1 1 1 42 1  29 o 0.628096 0.286238  -0.475495    0.798994 0.584635     1.15399  -1.45168     1.10735  0.975866 0.390562  0.637078 0.305231  
1 1 1 42 1  30 o 1.4549   0.28699   2.27234      0.80535  2.5054       1.11495  2.0181       1.16454  1.50284  0.372375  1.35167  0.401731  
1 1 1 42 1  31 o 3.07641  0.14811   9.58423      0.911298 9.20237      1.31107  9.94118      1.26757  2.99223  0.219079  3.11584  0.203408  
1 1 1 42 1  32 o 1.99828  0.213804  4.11032      0.854481 3.72488      1.18962  4.52112      1.22813  1.84068  0.335583  2.06813  0.296919  
1 1 1 42 1  33 o 3.16672  0.147468  10.1916      0.933982 8.42432      1.30462  12.0496      1.3377   2.8471   0.229114  3.4227   0.195416  
1 1 1 42 1  34 o 1.70591  0.25396   3.06587      0.866464 2.05781      1.21898  4.09533      1.23185  1.32867  0.414343  1.9445   0.316753  
1 1 1 42 1  35 o 1.2632   0.340807  1.84253      0.880939 2.05898      1.25839  1.6345       1.23365  1.31101  0.422632  1.19499  0.417841  
1 1 1 42 1  36 o 0.986354 0.354297  1.05404      0.892254 0.415006     1.26225  1.69223      1.26143  0.91078  0.389554  1.18801  0.421807  
1 1 1 42 1  37 o 0.765148 0.32536   0.265329     0.871482 -0.108026    1.23512  0.635482     1.22982  0.805148 0.36299   0.928237 0.390205  
1 1 1 42 1  38 f 1.0232   0.365772  1.29543      0.949977 1.09365      1.36333  1.48587      1.32445  1.00418  0.415783  1.08032  0.422704  
1 1 1 42 1  39 o 0.785926 0.341064  0.387002     0.993746 0.762605     1.40652  0.0126276    1.40422  0.917579 0.401963  0.813455 0.374052  
1 1 1 42 1  40 o 0.698513 0.333405  -0.570214    1.28996  1.48432      1.88495  -2.38001     1.76912  0.999923 0.449743  0.671094 0.333975  
1 1 1 42 1  41 o 0.706692 0.332059  0.0439248    1.21154  -1.30137     1.6684   1.54474      1.7622   0.671991 0.332726  0.912308 0.419306  
1 1 1 42 1  42 o 0.738038 0.344746  0.47709      1.25362  0.944445     1.77992  0.0170452    1.76595  0.810766 0.388092  0.739295 0.361122  
1 1 1 42 2  0  o 10.0201  0.117787  100.462      2.35976  100.462      2.35976  100.462      2.35976  10.0216  0.0832631 ?        ?         
1 1 1 42 2  1  f 21.4885  0.162557  462.062      6.98623  459.511      9.57955  464.96       10.2107  21.4227  0.223584  21.5477  0.236932  
1 1 1 42 2  2  o 6.87888  0.075745  47.3258      1.04208  46.3941      1.43446  48.367       1.51641  6.81036  0.105314  6.95359  0.109038  
1 1 1 42 2  3  f 15.4798  0.113268  239.702      3.50672  239.584      4.89947  239.826      5.02128  15.4735  0.158318  15.481   0.162175  
1 1 1 42 2  4  o 15.4327  0.114196  238.25       3.52471  237.301      4.96887  239.212      5.00066  15.3992  0.161335  15.4611  0.161718  
1 1 1 42 2  5  o 8.30256  0.0744791 68.943       1.23674  68.1156      1.82556  69.6449      1.68135  8.25183  0.110615  8.34419  0.10075   
1 1 1 42 2  6  o 3.4774   0.0822104 12.0946      0.571756 12.2212      0.818116 11.9738      0.79938  3.49519  0.117034  3.45966  0.115529  
1 1 1 42 2  7  o 14.4943  0.108915  210.158      3.15729  206.726      4.40611  213.779      4.52649  14.3729  0.153278  14.616   0.154847  
1 1 1 42 2  8  o 6.27964  0.0743685 39.4407      0.934014 38.1137      1.32713  40.743       1.31474  6.1725   0.107504  6.38196  0.103005  
1 1 1 42 2  9  o 14.6     0.126398  213.277      3.69084  214.463      5.4204   212.253      5.03964  14.6359  0.185174  14.5614  0.173048  
1 1 1 42 2  10 o 6.12673  0.0789289 37.5458      0.967152 36.8402      1.35668  38.2749      1.37912  6.06815  0.111787  6.18519  0.111486  
1 1 1 42 2  11 o 13.5215  0.104621  182.918      2.82926  181.761      3.97483  184.107      4.02805  13.4753  0.147485  13.5619  0.148505  
1 1 1 42 2  12 o 16.145   0.117243  260.833      3.78577  258.194      5.23825  263.719      5.47755  16.058   0.163104  16.2282  0.168766  
1 1 1 42 2  13 o 6.12781  0.0742427 37.5612      0.90989  36.9587      1.29324  38.1519      1.28042  6.07751  0.106395  6.17493  0.103678  
1 1 1 42 2  14 o 3.67411  0.098147  13.5069      0.721205 13.3902      1.05917  13.6077      0.984767 3.65696  0.144816  3.68688  0.13355   
1 1 1 42 2  15 o 1.15011  0.270564  1.38271      0.612652 0.997197     0.835913 1.83013      0.900534 1.02729  0.344685  1.32245  0.338929  
1 1 1 42 2  16 o 12.1728  0.101696  148.296      2.47585  147.109      3.3509   149.724      3.67413  12.1197  0.138241  12.2253  0.150267  
1 1 1 42 2  17 o 12.133   0.0985022 147.345      2.39026  148.871      3.45524  145.943      3.3101   12.1898  0.141727  12.0701  0.13712   
1 1 1 42 2  18 o 4.65357  0.0856295 21.6729      0.796965 20.6522      1.13118  22.6789      1.12302  4.54066  0.124562  4.75865  0.117997  
1 1 1 42 2  19 o 5.52     0.081549  30.4952      0.900301 30.7363      1.32709  30.2896      1.22541  5.53917  0.119792  5.49942  0.111413  
1 1 1 42 2  20 o 9.60783  0.0850373 92.4044      1.63405  92.268       2.33612  92.5351      2.28647  9.59559  0.121729  9.60992  0.118964  
1 1 1 42 2  21 o 2.58216  0.12613   6.68438      0.651378 5.37804      0.915318 8.02477      0.927171 2.31181  0.197966  2.82672  0.164001  
1 1 1 42 2  22 o 5.41427  0.0829777 29.3515      0.898528 29.3957      1.2695   29.307       1.27193  5.41493  0.117222  5.40671  0.117625  
1 1 1 42 2  23 o 4.81226  0.0865778 23.1936      0.83327  22.9137      1.15781  23.4944      1.20017  4.77965  0.121119  4.83949  0.123998  
1 1 1 42 2  24 o 2.80119  0.128974  7.87719      0.722564 7.36494      0.98949  8.46241      1.05763  2.70329  0.183016  2.89778  0.18249   
1 1 1 42 2  25 o 4.76442  0.0943605 22.7558      0.899147 23.5174      1.27341  21.9986      1.26976  4.83796  0.131607  4.67843  0.135704  
1 1 1 42 2  26 o 2.81185  0.142085  7.95608      0.799042 6.81927      1.12587  9.10979      1.13421  2.59236  0.217151  3.00157  0.188936  
1 1 1 42 2  27 o 4.081    0.119716  16.7409      0.977123 15.6084      1.41073  17.7852      1.35469  3.92781  0.179582  4.19744  0.161371  
1 1 1 42 2  28 o 4.65531  0.11083   21.7727      1.03189  22.6135      1.51828  21.051       1.40673  4.73226  0.160418  4.56758  0.153991  
1 1 1 42 2  29 o 4.1524   0.119949  17.3477      0.996153 18.2723      1.40318  16.4083      1.41443  4.2499   0.165084  4.0242   0.17574   
1 1 1 42 2  30 o 2.06926  0.197667  4.36727      0.818049 4.05526      1.13357  4.70635      1.18172  1.97253  0.287339  2.12784  0.277681  
1 1 1 42 2  31 o 2.04405  0.204752  4.28108      0.837046 4.84854      1.19837  3.74048      1.16967  2.15344  0.278246  1.88129  0.310869  
1 1 1 42 2  32 o 1.57409  0.280696  2.67438      0.851914 2.46196      1.2      2.89023      1.20963  1.46704  0.398647  1.5949   0.383387  
1 1 1 42 2  33 o 1.66823  0.257985  2.92295      0.860755 1.86963      1.22849  3.93871      1.20639  1.28327  0.417857  1.91405  0.315141  
1 1 1 42 2  34 o 0.749971 0.321901  0.092047     0.867204 -0.634408    1.23641  0.795463     1.21665  0.763545 0.351055  1.00196  0.401016  
1 1 1 42 2  35 o 0.707275 0.314249  -0.144917    0.895023 0.589546     1.24018  -0.943236    1.29297  0.951344 0.395395  0.73596  0.345251  
1 1 1 42 2  36 o 0.743592 0.321503  0.115232     0.876875 1.07583      1.23267  -0.868855    1.24765  1.03506  0.407085  0.720366 0.338154  
1 1 1 42 2  37 o 1.43675  0.323874  2.46054      0.908416 2.81517      1.24707  2.05963      1.32595  1.4709   0.409211  1.24985  0.433555  
1 1 1 42 2  38 o 0.724806 0.322501  0.0306016    0.946001 -0.180176    1.38055  0.217177     1.29888  0.80843  0.371382  0.844113 0.376674  
1 1 1 42 2  39 o 0.856663 0.355993  0.752906     1.0051   1.12654      1.44877  0.40621      1.39557  0.969859 0.416165  0.855547 0.385772  
1 1 1 42 2  40 o 0.822649 0.369241  0.515374     1.26435  2.35198      1.75849  -1.45017     1.81917  1.11673  0.467887  0.730562 0.359515  
1 1 1 42 2  41 o 0.820557 0.366321  0.937717     1.22965  1.97923      1.77111  -0.0315321   1.70857  0.948134 0.430496  0.754816 0.365452  
1 1 1 42 2  42 o 0.822999 0.368483  1.29549      1.25229  2.50138      1.88949  0.350865     1.67233  0.908583 0.423956  0.731241 0.356121  
1 1 1 42 3  0  o 11.3502  0.129552  128.905      2.94002  128.905      2.94002  128.905      2.94002  11.3519  0.0915797 ?        ?         
1 1 1 42 3  1  o 13.9601  0.105967  194.943      2.95863  194.592      4.02938  195.353      4.3582   13.9458  0.144466  13.9724  0.155958  
1 1 1 42 3  2  o 0.484053 0.225243  -0.490141    0.528697 0.168089     0.769897 -1.07755     0.727301 0.761523 0.313592  0.510404 0.245221  
1 1 1 42 3  3  o 16.8335  0.119154  283.476      4.01155  281.495      5.70113  285.419      5.64567  16.7712  0.169968  16.8879  0.167151  
1 1 1 42 3  4  o 6.4983   0.0697011 42.2336      0.905877 41.5706      1.29768  42.8637      1.26514  6.44662  0.100648  6.54618  0.0966321 
1 1 1 42 3  5  o 32.3047  0.224585  1045.1       14.5103  1045.24      21.0113  1044.99      20.0628  32.2808  0.325446  32.2813  0.31075   
1 1 1 42 3  6  o 3.03043  0.0979137 9.18614      0.593441 9.14956      0.837082 9.2231       0.841441 3.02396  0.138408  3.03608  0.138573  
1 1 1 42 3  7  o 21.7788  0.172234  474.755      7.50208  473.918      11.1032  475.459      10.1764  21.7474  0.255277  21.7864  0.233549  
1 1 1 42 3  8  o 4.23856  0.0887972 17.9702      0.752744 18.6118      1.0786   17.361       1.05101  4.313    0.125041  4.16553  0.126156  
1 1 1 42 3  9  o 10.8711  0.0937991 118.219      2.03939  121.044      2.78717  114.964      2.99199  10.9987  0.126705  10.7182  0.139575  
1 1 1 42 3  10 o 7.31919  0.0747853 53.5832      1.09474  52.3803      1.53019  54.8444      1.56684  7.2357   0.105739  7.40393  0.105811  
1 1 1 42 3  11 o 4.89091  0.0793846 23.9281      0.776526 26.2254      1.07914  21.4611      1.11826  5.11974  0.10539   4.63102  0.120735  
1 1 1 42 3  12 o 15.0093  0.108758  225.417      3.26476  227.369      4.65104  223.521      4.58383  15.0695  0.154319  14.9416  0.153392  
1 1 1 42 3  13 o 9.15963  0.0826866 83.9316      1.51476  84.3896      2.15239  83.4822      2.13214  9.18278  0.117197  9.1333   0.116723  
1 1 1 42 3  14 o 3.6924   0.0948178 13.6416      0.70021  12.8854      0.998508 14.3733      0.982187 3.58739  0.139169  3.78917  0.129605  
1 1 1 42 3  15 o 7.89712  0.0807576 62.3939      1.27551  63.4039      1.85581  61.4895      1.756    7.95872  0.11659   7.83794  0.112019  
1 1 1 42 3  16 o 4.93981  0.0803217 24.415       0.793548 23.5206      1.09558  25.402       1.15096  4.84719  0.113012  5.03725  0.114245  
1 1 1 42 3  17 o 3.97151  0.0903352 15.7862      0.717535 15.0886      1.03532  16.4309      0.995354 3.88088  0.133387  4.0504   0.122871  
1 1 1 42 3  18 o 1.17964  0.266622  1.45822      0.614304 1.46163      0.896773 1.4552       0.843213 1.19174  0.352147  1.18425  0.338786  
1 1 1 42 3  19 o 4.88364  0.0811645 23.8703      0.792757 23.8017      1.1441   23.9337      1.09949  4.87434  0.117359  4.88819  0.112463  
1 1 1 42 3  20 o 3.75847  0.0930016 14.144       0.699087 15.2404      0.999194 13.0925      0.978451 3.89919  0.128129  3.61349  0.135389  
1 1 1 42 3  21 o 3.89094  0.0928249 15.1612      0.722353 16.2447      1.03546  14.1341      1.0082   4.02486  0.128633  3.75383  0.13429   
1 1 1 42 3  22 o 2.63669  0.127243  6.97378      0.671002 6.89869      0.949135 7.0488       0.948744 2.61828  0.181251  2.6468   0.179225  
1 1 1 42 3  23 o 3.55959  0.10259   12.6989      0.73036  13.6891      1.0389   11.7313      1.02697  3.69222  0.140688  3.41701  0.150274  
1 1 1 42 3  24 o 2.59343  0.138387  6.75751      0.717793 7.0881       0.992467 6.39494      1.03938  2.65098  0.187189  2.51569  0.20658   
1 1 1 42 3  25 o 1.92827  0.187627  3.7557       0.72359  3.98906      1.00099  3.50029      1.0472   1.97936  0.252856  1.84997  0.283031  
1 1 1 42 3  26 o 1.94323  0.198619  3.82398      0.771925 4.1259       1.12228  3.5529       1.06343  2.00585  0.279752  1.86035  0.285814  
1 1 1 42 3  27 o 1.82744  0.219866  3.3976       0.803584 3.36467      1.18289  3.42582      1.09507  1.76907  0.346686  1.82132  0.300624  
1 1 1 42 3  28 f 1.60322  0.254249  2.63589      0.815235 1.60472      1.13457  3.73656      1.17218  1.23747  0.40154   1.89764  0.308853  
1 1 1 42 3  29 o 3.81166  0.126326  14.6362      0.963028 14.7802      1.37212  14.4964      1.35196  3.81606  0.179782  3.77954  0.178853  
1 1 1 42 3  30 o 4.60333  0.108456  21.3239      0.998519 22.1283      1.39201  20.4713      1.43312  4.67638  0.148834  4.49399  0.159449  
1 1 1 42 3  31 o 0.591553 0.276628  -0.703942    0.809981 -0.315192    1.15655  -1.07816     1.13473  0.794752 0.355021  0.682219 0.320792  
1 1 1 42 3  32 o 3.40686  0.136106  11.7552      0.927386 11.9706      1.31275  11.5407      1.3103   3.41659  0.192114  3.35326  0.195377  
1 1 1 42 3  33 o 1.00478  0.34664   1.04531      0.846619 0.903459     1.20639  1.18297      1.18841  1.03211  0.403509  1.09619  0.40703   
1 1 1 42 3  34 o 1.90626  0.229737  3.80246      0.875877 4.28411      1.25366  3.34316      1.22422  1.98459  0.315847  1.70255  0.36988   
1 1 1 42 3  35 o 1.68765  0.264601  3.0682       0.893109 2.36365      1.25335  3.79499      1.27297  1.38476  0.417828  1.79652  0.366976  
1 1 1 42 3  36 o 1.38997  0.321947  2.25579      0.878129 2.0106       1.22687  2.51333      1.25742  1.26746  0.417581  1.40816  0.417224  
1 1 1 42 3  37 o 2.5711   0.185752  6.97127      0.955175 6.71953      1.32381  7.24465      1.37956  2.45422  0.269701  2.54724  0.270795  
1 1 1 42 3  38 o 1.18899  0.371497  1.85806      0.979282 0.187606     1.33532  3.80199      1.44048  0.84461  0.379271  1.64775  0.43187   
1 1 1 42 3  39 o 0.932094 0.370876  1.10711      1.03418  0.764216     1.49924  1.41838      1.42844  0.909394 0.405275  1.00809  0.421997  
1 1 1 42 3  40 o 0.770728 0.354834  0.163807     1.26786  -0.0493884   2.01912  0.302588     1.62907  0.849691 0.408316  0.837707 0.39196   
1 1 1 42 3  41 o 0.661768 0.31843   -0.322235    1.23809  0.151865     1.70803  -0.84714     1.79722  0.759835 0.36745   0.702807 0.34734   
1 1 1 42 3  42 o 0.614938 0.300554  -0.373665    1.22801  0.878445     1.75924  -1.56351     1.71494  0.74384  0.362793  0.606577 0.305908  
1 1 1 42 4  0  o 4.9267   0.104095  24.3085      1.02466  24.3085      1.02466  24.3085      1.02466  4.92854  0.0735416 ?        ?         
1 1 1 42 4  1  o 12.5632  0.0972559 157.875      2.44369  156.718      3.4788   159.001      3.43343  12.5153  0.138981  12.6063  0.136179  
1 1 1 42 4  2  o 8.54093  0.0733467 72.9585      1.2529   72.935       1.77124  72.982       1.77249  8.5389   0.103716  8.54165  0.103756  
1 1 1 42 4  3  o 3.81187  0.0774861 14.5328      0.590733 14.2229      0.833611 14.8454      0.837246 3.77067  0.110539  3.85232  0.108668  
1 1 1 42 4  4  o 15.9148  0.121999  253.391      3.88317  253.651      5.74652  253.172      5.26791  15.9188  0.180495  15.9049  0.165606  
1 1 1 42 4  5  o 10.9599  0.0928428 120.151      2.0351   118.807      3.0021   121.295      2.76824  10.8967  0.137752  11.0107  0.125706  
1 1 1 42 4  6  o 18.4023  0.143147  338.864      5.26847  339.971      7.83012  337.948      7.12166  18.4252  0.212484  18.3724  0.193814  
1 1 1 42 4  7  o 10.8235  0.0916    117.182      1.98287  117.126      2.89615  117.232      2.7205   10.8192  0.133843  10.8245  0.125664  
1 1 1 42 4  8  o 10.7202  0.087792  114.954      1.88229  117.521      2.79964  112.837      2.54277  10.8374  0.129166  10.6196  0.11972   
1 1 1 42 4  9  o 0.932899 0.271811  0.888802     0.537931 0.974748     0.77795  0.810058     0.744642 1.00895  0.332519  0.94407  0.325152  
1 1 1 42 4  10 o 5.75265  0.0709823 33.1006      0.816673 32.2517      1.16267  33.9272      1.14738  5.67769  0.102389  5.82341  0.0985145 
1 1 1 42 4  11 o 17.2099  0.127909  296.424      4.4026   294.878      6.04428  298.171      6.42563  17.1587  0.176128  17.2527  0.186221  
1 1 1 42 4  12 f 4.47206  0.0835331 20.007       0.747129 19.5043      1.01131  20.611       1.10858  4.41478  0.114537  4.53808  0.122142  
1 1 1 42 4  13 o 6.81227  0.0747893 46.4227      1.01897  46.0247      1.42403  46.8403      1.45868  6.78187  0.104988  6.84163  0.106603  
1 1 1 42 4  14 o 10.1536  0.0842186 103.144      1.71024  103.85       2.45193  102.476      2.38667  10.1856  0.120362  10.1182  0.117939  
1 1 1 42 4  15 o 2.78991  0.11622   7.79171      0.648487 6.25586      0.913415 9.35258      0.920829 2.49791  0.182835  3.05549  0.150684  
1 1 1 42 4  16 o 1.26767  0.237583  1.66758      0.580098 1.72918      0.800312 1.59937      0.842043 1.28369  0.313906  1.23734  0.332915  
1 1 1 42 4  17 o 5.19343  0.0802705 26.9903      0.833758 28.1093      1.21941  26.0079      1.14257  5.29809  0.11508   5.09639  0.112096  
1 1 1 42 4  18 o 2.12564  0.150472  4.53046      0.639699 4.66565      0.918266 4.40298      0.891663 2.1542   0.213134  2.09268  0.213043  
1 1 1 42 4  19 o 3.00402  0.109557  9.039        0.658222 9.2494       0.95188  8.8462       0.911185 3.03616  0.156757  2.96946  0.153426  
1 1 1 42 4  20 o 1.66763  0.184532  2.79543      0.615463 2.67799      0.864957 2.91588      0.875938 1.62762  0.265712  1.69891  0.257794  
1 1 1 42 4  21 o 5.028    0.0821048 25.3109      0.825646 24.4487      1.15363  26.2163      1.18218  4.93858  0.116797  5.11413  0.11558   
1 1 1 42 4  22 o 4.94318  0.0837229 24.4693      0.827715 24.9647      1.15569  23.9475      1.18603  4.98981  0.115805  4.88645  0.121359  
1 1 1 42 4  23 o 4.98133  0.0879773 24.8562      0.876488 25.9029      1.22712  23.766       1.25234  5.08134  0.120748  4.86617  0.128678  
1 1 1 42 4  24 o 6.07223  0.0852181 36.9416      1.03493  38.1026      1.45914  35.7663      1.46812  6.16158  0.118407  5.96884  0.122982  
1 1 1 42 4  25 o 0.737037 0.300093  0.231615     0.69712  0.309411     0.979707 0.151827     0.992164 0.865708 0.354659  0.835518 0.350819  
1 1 1 42 4  26 o 2.94715  0.13557   8.73931      0.799089 9.62873      1.18656  8.00113      1.08097  3.08368  0.192393  2.81102  0.192274  
1 1 1 42 4  27 o 1.49509  0.284955  2.37023      0.821454 2.32394      1.163    2.41632      1.16043  1.45884  0.390683  1.48718  0.386621  
1 1 1 42 4  28 o 0.943304 0.32706   0.85145      0.754483 0.776335     1.06833  0.926192     1.06567  0.997727 0.382006  1.03626  0.385307  
1 1 1 42 4  29 o 4.98283  0.113725  24.9884      1.13335  24.8624      1.57562  25.1236      1.63142  4.95536  0.158981  4.97943  0.163816  
1 1 1 42 4  30 o 0.745468 0.311727  0.17018      0.778167 0.113089     1.0877   0.230038     1.11374  0.846966 0.361918  0.87844  0.3704    
1 1 1 42 4  31 o 1.11404  0.342805  1.34681      0.838141 1.49034      1.17161  1.19636      1.1995   1.18733  0.407957  1.11385  0.40973   
1 1 1 42 4  32 o 1.81455  0.232638  3.42179      0.844265 3.04346      1.20732  3.78384      1.18105  1.63481  0.376738  1.85086  0.331008  
1 1 1 42 4  33 o 0.856617 0.336664  0.551577     0.842523 -0.761016    1.20046  1.82574      1.18275  0.73945  0.34228   1.26801  0.409831  
1 1 1 42 4  34 o 1.6382   0.263901  2.84961      0.864645 1.33434      1.23716  4.29647      1.20891  1.12881  0.416026  1.99275  0.303328  
1 1 1 42 4  35 o 1.69805  0.266767  3.11998      0.905966 2.4204       1.26091  3.86654      1.30256  1.39492  0.418724  1.80379  0.373655  
1 1 1 42 4  36 o 0.712856 0.314671  -0.0290969   0.877948 0.196543     1.2384   -0.257085    1.24483  0.860849 0.377144  0.793313 0.36039   
1 1 1 42 4  37 o 2.60748  0.182814  7.17651      0.953369 6.22258      1.27998  8.36514      1.42879  2.35299  0.271991  2.74049  0.260682  
1 1 1 42 4  38 o 1.07468  0.370808  1.49664      0.968818 1.11712      1.31445  1.94803      1.43351  0.993812 0.409584  1.16855  0.443928  
1 1 1 42 4  39 o 0.6496   0.310435  -0.705896    1.12702  0.339102     1.77353  -1.41373     1.45964  0.880379 0.410775  0.671097 0.327926  
1 1 1 42 4  40 o 0.998224 0.411775  1.69664      1.32973  2.0985       2.1393   1.44362      1.69748  1.01642  0.46499   0.950079 0.427088  
1 1 1 42 4  41 o 0.753643 0.352617  0.420877     1.31834  0.0223963    1.65409  1.11485      2.18286  0.749257 0.362208  0.856356 0.414347  
1 1 1 42 5  0  o 18.7338  0.196972  351.27       7.37822  351.27       7.37822  351.27       7.37822  18.738   0.139232  ?        ?         
1 1 1 42 5  1  o 7.75468  0.0740305 60.1447      1.14817  59.5592      1.61417  60.7443      1.63351  7.71621  0.104596  7.7926   0.104812  
1 1 1 42 5  2  o 6.07071  0.0707139 36.8591      0.858567 36.2859      1.24648  37.3765      1.1843   6.02282  0.103479  6.11277  0.0968713 
1 1 1 42 5  3  o 10.7802  0.0917428 116.242      1.978    114.897      3.09035  117.175      2.57443  10.7156  0.144199  10.8224  0.11894   
1 1 1 42 5  4  o 10.641   0.097821  113.265      2.08183  111.637      3.14735  114.531      2.77583  10.5622  0.148991  10.6991  0.129722  
1 1 1 42 5  5  o 1.45677  0.185238  2.12452      0.539698 1.97091      0.76985  2.27296      0.756813 1.37601  0.288935  1.48342  0.264608  
1 1 1 42 5  6  o 8.27902  0.0862385 68.5596      1.42794  67.551       2.06872  69.4774      1.97347  8.2167   0.125885  8.3333   0.118409  
1 1 1 42 5  7  o 10.4034  0.0816117 108.258      1.69808  108.023      2.40509  108.492      2.39784  10.3908  0.115732  10.4134  0.115132  
1 1 1 42 5  8  o 6.90442  0.0721493 47.6812      0.996299 48.1147      1.45667  47.3001      1.36569  6.9349   0.105025  6.87611  0.0993066 
1 1 1 42 5  9  o 3.94089  0.0791405 15.535       0.623768 15.7092      0.884174 15.3624      0.880122 3.96236  0.111572  3.91837  0.112307  
1 1 1 42 5  10 o 4.35583  0.085216  18.98        0.742373 18.4363      1.05877  19.5059      1.0412   4.29215  0.123337  4.41504  0.117915  
1 1 1 42 5  11 o 14.0231  0.106738  196.766      2.99358  194.871      4.16069  198.801      4.31039  13.9514  0.149114  14.0909  0.152949  
1 1 1 42 5  12 o 7.64511  0.0793683 58.4693      1.21356  56.8253      1.6574   60.3693      1.78181  7.53559  0.109972  7.76678  0.114707  
1 1 1 42 5  13 o 10.0262  0.0907917 100.578      1.82059  104.042      2.61896  97.3381      2.53262  10.1946  0.128448  9.8607   0.12842   
1 1 1 42 5  14 o 9.77989  0.0863066 95.698       1.68814  96.758       2.37521  94.6159      2.39976  9.8313   0.120798  9.72163  0.123424  
1 1 1 42 5  15 f 3.26467  0.098523  10.6668      0.643291 9.58212      0.907399 11.7628      0.912121 3.09269  0.146701  3.42713  0.133074  
1 1 1 42 5  16 o 5.40874  0.0791029 29.2731      0.855693 29.3753      1.19697  29.1663      1.22374  5.41656  0.110492  5.39708  0.11337   
1 1 1 42 5  17 o 2.354    0.129292  5.55161      0.608706 5.31371      0.878757 5.77106      0.843976 2.30048  0.190995  2.39817  0.175963  
1 1 1 42 5  18 o 6.15386  0.0790555 37.8999      0.972993 36.3472      1.36332  39.5119      1.38908  6.02398  0.113158  6.28099  0.110578  
1 1 1 42 5  19 o 5.40265  0.0801711 29.2155      0.866273 30.527       1.29283  28.1468      1.167    5.51968  0.11711   5.30074  0.110079  
1 1 1 42 5  20 o 4.55977  0.08457   20.8155      0.771239 21.587       1.10672  20.0871      1.07535  4.64082  0.119238  4.47661  0.120107  
1 1 1 42 5  21 o 5.1165   0.0850866 26.2137      0.870691 26.8117      1.22342  25.5999      1.23943  5.17129  0.118289  5.05259  0.122653  
1 1 1 42 5  22 o 3.34175  0.104114  11.1922      0.695848 11.1035      0.971085 11.2858      0.997608 3.32494  0.14603   3.35185  0.148815  
1 1 1 42 5  23 o 4.0155   0.0967627 16.1593      0.777101 16.2167      1.05529  16.0913      1.1486   4.01897  0.131289  4.00185  0.143509  
1 1 1 42 5  24 o 4.32664  0.096788  18.768       0.837533 18.6162      1.14015  18.946       1.23435  4.30437  0.132441  4.34075  0.142182  
1 1 1 42 5  25 o 3.93122  0.109192  15.5109      0.858518 14.4503      1.20347  16.61        1.22507  3.7867   0.158907  4.06137  0.15082   
1 1 1 42 5  26 o 1.10843  0.322234  1.30202      0.756847 1.6824       1.0437   0.880163     1.09913  1.2569   0.381695  1.03562  0.390066  
1 1 1 42 5  27 o 4.2195   0.115598  17.8918      0.975533 17.2605      1.41102  18.4699      1.35021  4.1323   0.170731  4.27794  0.157811  
1 1 1 42 5  28 o 1.12659  0.326697  1.35486      0.778908 0.680915     1.10998  2.00868      1.09329  0.985162 0.386662  1.35671  0.385017  
1 1 1 42 5  29 o 3.36651  0.137256  11.441       0.924149 10.7658      1.2765   12.1848      1.33968  3.24974  0.1964    3.45819  0.193696  
1 1 1 42 5  30 o 2.11356  0.190883  4.56095      0.806885 3.41139      1.13106  5.75228      1.15143  1.76733  0.332208  2.35811  0.244143  
1 1 1 42 5  31 f 1.90868  0.219427  3.7547       0.837631 3.55446      1.16159  3.97163      1.20901  1.79779  0.335534  1.93313  0.312709  
1 1 1 42 5  32 o 1.32654  0.322648  1.96558      0.848994 1.51746      1.23115  2.37189      1.17232  1.18834  0.417236  1.43315  0.396069  
1 1 1 42 5  33 o 1.19423  0.338374  1.60603      0.845086 1.29274      1.20047  1.9138       1.18986  1.12193  0.410168  1.28987  0.410478  
1 1 1 42 5  34 o 0.763573 0.323347  0.189644     0.854743 0.468849     1.23867  -0.0641534   1.18097  0.934611 0.392186  0.824578 0.364346  
1 1 1 42 5  35 o 1.96689  0.232966  4.12076      0.916437 3.22386      1.29942  5.00838      1.29268  1.61697  0.402825  2.12336  0.304395  
1 1 1 42 5  36 o 1.01635  0.355106  1.18555      0.890877 1.35431      1.23217  1.00069      1.28957  1.08722  0.412001  1.01518  0.410132  
1 1 1 42 5  37 f 2.69249  0.174613  7.63977      0.94029  6.52187      1.29009  8.90664      1.37336  2.40504  0.268205  2.8409   0.241712  
1 1 1 42 5  38 o 1.04837  0.371247  1.43906      0.976571 2.26941      1.38726  0.623347     1.37498  1.2324   0.441865  0.905338 0.39701   
1 1 1 42 5  39 o 1.20966  0.390654  2.20231      1.07481  1.50289      1.60557  2.77026      1.44682  1.00488  0.434766  1.26638  0.45153   
1 1 1 42 5  40 o 1.24264  0.431186  2.91785      1.31158  3.07458      1.96027  2.79082      1.76481  1.10672  0.479633  1.09887  0.464941  
1 1 1 42 5  41 o 0.909372 0.394123  1.52467      1.32373  1.45278      1.64872  1.65507      2.22052  0.887829 0.407016  0.897477 0.43053   
1 1 1 42 6  0  o 3.76912  0.123538  14.2554      0.928992 14.2554      0.928992 14.2554      0.928992 3.77239  0.0871716 ?        ?         
1 1 1 42 6  1  o 4.28491  0.0797421 18.3641      0.683376 18.4972      1.00956  18.2516      0.928408 4.29991  0.117393  4.27139  0.108677  
1 1 1 42 6  2  o 2.80736  0.114905  7.88456      0.64516  7.21378      0.980465 8.39677      0.85678  2.68443  0.182621  2.89672  0.147888  
1 1 1 42 6  3  o 6.73653  0.0795698 45.39        1.07205  46.6822      1.6447   44.4355      1.41362  6.83084  0.120388  6.66479  0.106051  
1 1 1 42 6  4  o 2.22116  0.123798  4.93606      0.549948 4.70554      0.815083 5.12871      0.745107 2.16794  0.187986  2.26364  0.164582  
1 1 1 42 6  5  o 7.52271  0.0873158 56.6064      1.3137   54.4294      2.0208   58.1998      1.72888  7.37517  0.137     7.62714  0.113337  
1 1 1 42 6  6  o 9.54002  0.0822878 91.0353      1.57005  90.5074      2.28275  91.5091      2.16288  9.51093  0.120007  9.56371  0.113077  
1 1 1 42 6  7  o 8.75815  0.0756221 76.7233      1.32462  76.6245      1.92864  76.8115      1.82246  8.75134  0.110191  8.76225  0.103995  
1 1 1 42 6  8  o 7.71025  0.077596  59.464       1.19657  58.0193      1.7269   60.7982      1.65952  7.61482  0.11339   7.79532  0.106444  
1 1 1 42 6  9  o 5.22058  0.0715936 27.2612      0.74752  27.6463      1.05715  26.8762      1.05715  5.25668  0.100553  5.18292  0.101984  
1 1 1 42 6  10 o 4.26497  0.0832867 18.1966      0.71043  17.4907      1.00656  18.8972      1.00285  4.18061  0.120385  4.34559  0.115387  
1 1 1 42 6  11 o 10.346   0.0859899 107.084      1.7793   106.812      2.48848  107.369      2.5451   10.3307  0.120441  10.3575  0.122863  
1 1 1 42 6  12 o 8.07597  0.0790326 65.2466      1.27653  66.2759      1.87472  64.3568      1.74303  8.13761  0.115189  8.01929  0.108677  
1 1 1 42 6  13 o 6.20465  0.073564  38.5121      0.912877 37.3611      1.25938  39.7864      1.32514  6.1101   0.103057  6.30521  0.105083  
1 1 1 42 6  14 o 6.17867  0.078642  38.1944      0.971806 37.1289      1.33767  39.3854      1.4142   6.09044  0.109818  6.27263  0.112728  
1 1 1 42 6  15 o 9.78268  0.0808246 95.7588      1.58136  95.8123      2.23079  95.7047      2.24203  9.78249  0.114019  9.77693  0.114659  
1 1 1 42 6  16 o 3.41451  0.101859  11.6718      0.695596 11.8572      0.986003 11.4881      0.981456 3.43968  0.143328  3.38563  0.144944  
1 1 1 42 6  17 o 1.76453  0.1691    3.124        0.596765 3.68721      0.840625 2.55177      0.847322 1.91479  0.219508  1.56669  0.280569  
1 1 1 42 6  18 o 3.78832  0.0932771 14.3682      0.706726 13.2218      0.986294 15.5781      1.01317  3.63164  0.135792  3.9425   0.128494  
1 1 1 42 6  19 o 2.72185  0.119855  7.42436      0.652454 8.03823      0.94335  6.86142      0.903366 2.82925  0.166714  2.61355  0.172824  
1 1 1 42 6  20 o 3.073    0.106468  9.46162      0.654353 8.95576      0.922709 9.97341      0.928105 2.98648  0.154481  3.15219  0.147216  
1 1 1 42 6  21 o 2.49818  0.128685  6.26103      0.642958 6.50048      0.910258 6.0226       0.908305 2.54169  0.179065  2.44591  0.185678  
1 1 1 42 6  22 o 3.82938  0.0969843 14.6935      0.742781 14.8197      1.0269   14.5551      1.0757   3.8424   0.133627  3.80711  0.141276  
1 1 1 42 6  23 o 2.16641  0.154296  4.72079      0.668536 5.4092       0.909628 3.91214      0.985874 2.31483  0.196478  1.96278  0.251142  
1 1 1 42 6  24 o 1.994    0.180849  4.0131       0.721226 3.95363      0.988384 4.08082      1.05478  1.97092  0.250742  2.00053  0.263626  
1 1 1 42 6  25 o 4.25992  0.101483  18.2064      0.864621 17.9256      1.23664  18.4749      1.20933  4.21931  0.146545  4.28454  0.141128  
1 1 1 42 6  26 o 6.44588  0.0977676 41.6925      1.2604   43.0679      1.82124  40.4283      1.74607  6.53966  0.139246  6.33655  0.137778  
1 1 1 42 6  27 o 2.98437  0.148206  8.982        0.884602 9.80678      1.26013  8.18067      1.24209  3.10696  0.202792  2.83398  0.219143  
1 1 1 42 6  28 o 4.61944  0.105417  21.4427      0.973933 21.5904      1.38059  21.2963      1.37413  4.62401  0.149284  4.59231  0.149613  
1 1 1 42 6  29 o 1.81845  0.233309  3.39943      0.848521 4.03426      1.24777  2.85331      1.15731  1.95792  0.318646  1.60526  0.368124  
1 1 1 42 6  30 o 1.08358  0.329571  1.26662      0.777714 0.598704     1.08658  1.96819      1.11363  0.947387 0.379059  1.32767  0.392456  
1 1 1 42 6  31 o 2.20753  0.19363   4.9939       0.854886 5.67753      1.19571  4.27904      1.22273  2.3325   0.256315  2.00779  0.304495  
1 1 1 42 6  32 o 3.40154  0.137541  11.7355      0.9357   12.3044      1.34498  11.202       1.30259  3.4588   0.194429  3.2988   0.197434  
1 1 1 42 6  33 o 0.840496 0.335185  0.50145      0.846461 -0.421595    1.17803  1.48671      1.21708  0.773321 0.351116  1.1684   0.414378  
1 1 1 42 6  34 o 1.00314  0.351137  1.07899      0.871408 -0.152069    1.21555  2.38058      1.24988  0.817214 0.364538  1.40052  0.416179  
1 1 1 42 6  35 o 1.38833  0.320585  2.23959      0.872825 2.18997      1.23452  2.28918      1.2342   1.32253  0.417831  1.35107  0.41604   
1 1 1 42 6  36 o 1.85727  0.241234  3.74344      0.896077 4.12573      1.24174  3.32804      1.29439  1.85745  0.347139  1.61629  0.401673  
1 1 1 42 6  37 o 1.40236  0.342364  2.46317      0.953187 3.93892      1.31267  0.817072     1.38636  1.73991  0.387321  0.956951 0.408746  
1 1 1 42 6  38 o 2.22546  0.227161  5.52657      1.01107  4.45401      1.45543  6.52694      1.40561  1.77134  0.417224  2.32762  0.301941  
1 1 1 42 6  39 o 0.942804 0.378458  1.22049      1.08818  1.87575      1.66257  0.729395     1.43931  1.05669  0.449362  0.879724 0.394432  
1 1 1 42 6  40 o 0.577626 0.285298  -1.39508     1.20784  -1.00902     1.86929  -1.6718      1.58258  0.720031 0.355463  0.63868  0.31757   
1 1 1 42 6  41 o 0.664845 0.323305  -0.469999    1.36621  -1.32538     1.74094  0.901249     2.20426  0.663023 0.330145  0.825762 0.403381  
1 1 1 42 7  0  o 14.0226  0.170788  196.818      4.78817  196.818      4.78817  196.818      4.78817  14.0259  0.120717  ?        ?         
1 1 1 42 7  1  o 11.0356  0.0975635 121.824      2.15335  120.838      3.13343  122.706      2.96419  10.9889  0.142573  11.0739  0.133837  
1 1 1 42 7  2  o 3.25822  0.094498  10.6193      0.615791 10.3287      0.866675 10.9155      0.875106 3.21282  0.134878  3.30286  0.132477  
1 1 1 42 7  3  o 15.1514  0.113952  229.671      3.45305  231.726      4.99185  227.786      4.78164  15.2152  0.164041  15.0858  0.158481  
1 1 1 42 7  4  o 6.70031  0.0719531 44.9028      0.964217 44.5779      1.43302  45.1716      1.30339  6.67523  0.107339  6.7198   0.0969815 
1 1 1 42 7  5  o 2.57453  0.108856  6.63131      0.560505 7.14625      0.797916 6.12968      0.787533 2.67207  0.149307  2.47458  0.159125  
1 1 1 42 7  6  o 6.39993  0.0731122 40.9683      0.935826 39.2791      1.28832  42.8553      1.36163  6.26589  0.102805  6.54488  0.104023  
1 1 1 42 7  7  o 16.0226  0.123548  256.902      3.95913  250.963      5.41431  263.726      5.8041   15.8313  0.171001  16.2278  0.178832  
1 1 1 42 7  8  o 5.60126  0.0703887 31.3816      0.788532 29.6342      1.09081  33.2943      1.1412   5.44241  0.100214  5.76876  0.0989124 
1 1 1 42 7  9  o 3.83788  0.0794173 14.7341      0.609587 15.9887      0.881259 13.5831      0.844114 3.99733  0.110231  3.68427  0.114557  
1 1 1 42 7  10 o 4.64703  0.0760309 21.6019      0.706636 21.9222      0.974017 21.246       1.02674  4.6807   0.104046  4.60774  0.111414  
1 1 1 42 7  11 o 7.73123  0.07656   59.7933      1.18381  58.6193      1.70709  60.8808      1.64306  7.65341  0.111524  7.79997  0.105325  
1 1 1 42 7  12 o 3.63826  0.0849629 13.2433      0.618235 12.8039      0.878171 13.6751      0.870512 3.57643  0.122772  3.69626  0.117756  
1 1 1 42 7  13 o 7.21691  0.077068  52.1069      1.11239  53.0364      1.62645  51.29        1.52477  7.27918  0.11172   7.15864  0.106499  
1 1 1 42 7  14 o 7.08964  0.0770813 50.2887      1.09296  51.6955      1.50387  48.7138      1.59118  7.18655  0.104631  6.9756   0.114053  
1 1 1 42 7  15 o 13.1567  0.100365  173.279      2.64094  170.422      3.71099  176.211      3.75918  13.0411  0.14228   13.2609  0.14174   
1 1 1 42 7  16 o 7.53861  0.0813104 56.8725      1.22593  56.5069      1.73495  57.237       1.73252  7.51152  0.115486  7.55998  0.114585  
1 1 1 42 7  17 o 6.62385  0.0768331 43.9079      1.01786  44.3184      1.46069  43.5204      1.41916  6.65217  0.10979   6.5922   0.107639  
1 1 1 42 7  18 o 3.74519  0.0938795 14.044       0.703194 13.7114      0.989267 14.3836      0.999748 3.69819  0.13375   3.78788  0.131967  
1 1 1 42 7  19 o 5.33914  0.0798576 28.5351      0.852742 28.0743      1.19569  29.0121      1.2165   5.29314  0.112947  5.38081  0.11304   
1 1 1 42 7  20 o 2.5043   0.12732   6.28989      0.637693 6.4058       0.907334 6.17675      0.896433 2.52358  0.179771  2.47796  0.180881  
1 1 1 42 7  21 o 6.28462  0.0814329 39.5493      1.02355  39.8273      1.3941   39.2243      1.50759  6.30314  0.110588  6.25379  0.120534  
1 1 1 42 7  22 o 3.23628  0.108245  10.501       0.700622 10.3046      0.955954 10.729       1.02982  3.20213  0.149269  3.26648  0.157635  
1 1 1 42 7  23 o 4.17491  0.0988205 17.4744      0.825134 18.145       1.1409   16.739       1.1948   4.24975  0.134231  4.07997  0.146423  
1 1 1 42 7  24 o 1.14686  0.30193   1.39962      0.702092 0.518796     0.980384 2.32694      1.00592  0.915584 0.362108  1.47129  0.347061  
1 1 1 42 7  25 o 2.17671  0.164756  4.78101      0.71725  4.23636      0.97919  5.41155      1.05358  2.03848  0.240177  2.30603  0.22844   
1 1 1 42 7  26 o 4.44053  0.110179  19.804       0.978507 19.1014      1.35958  20.5591      1.4094   4.35137  0.156225  4.51437  0.156101  
1 1 1 42 7  27 o 0.949466 0.331164  0.856939     0.774514 1.48725      1.07683  0.181365     1.11482  1.19638  0.391214  0.879364 0.370674  
1 1 1 42 7  28 o 4.75828  0.10463   22.7614      0.99572  24.2075      1.38903  21.2327      1.42811  4.89644  0.141841  4.58116  0.155867  
1 1 1 42 7  29 o 0.6876   0.300351  -0.0939958   0.78064  1.06991      1.16137  -1.05327     1.05435  1.08195  0.402249  0.654975 0.308343  
1 1 1 42 7  30 o 2.00597  0.206011  4.12709      0.826505 4.50429      1.16093  3.73942      1.17694  2.07357  0.279935  1.85032  0.329893  
1 1 1 42 7  31 o 1.76235  0.23944   3.22925      0.843951 2.87692      1.18449  3.59255      1.20277  1.59097  0.377453  1.79792  0.346869  
1 1 1 42 7  32 o 1.38499  0.31402   2.13304      0.84995  1.31469      1.21183  2.92538      1.19242  1.13283  0.412304  1.59709  0.378594  
1 1 1 42 7  33 o 0.880208 0.339684  0.651437     0.849193 2.141        1.1866   -0.912375    1.21581  1.34914  0.406444  0.720874 0.337565  
1 1 1 42 7  34 o 1.22671  0.342773  1.75397      0.87312  1.32507      1.21234  2.21617      1.25851  1.10582  0.411008  1.34426  0.42137   
1 1 1 42 7  35 o 0.819469 0.333025  0.480972     0.856884 1.09894      1.23709  -0.0889525   1.18803  1.03955  0.408145  0.805082 0.359723  
1 1 1 42 7  36 o 0.879618 0.344216  0.749033     0.878321 0.731153     1.18558  0.770784     1.30764  0.932181 0.386959  0.960463 0.402991  
1 1 1 42 7  37 o 0.926258 0.354311  0.970226     0.918337 -0.236285    1.26287  2.32419      1.33782  0.772511 0.355015  1.27654  0.436054  
1 1 1 42 7  38 f 1.00283  0.376922  1.35833      1.02525  1.33158      1.53583  1.37983      1.37698  1.00672  0.430116  1.01024  0.418049  
1 1 1 42 7  39 o 0.929987 0.378827  1.18552      1.11142  -0.404331    1.6529   2.49755      1.50155  0.780179 0.37358   1.17772  0.452315  
1 1 1 42 7  40 o 0.727577 0.335628  0.329654     1.14146  -1.2015      1.6815   1.63827      1.55451  0.674934 0.334146  0.920254 0.411325  
1 1 1 42 7  41 o 0.842353 0.38168   1.40744      1.38272  2.35892      1.89945  0.334842     2.01673  0.908752 0.424438  0.756785 0.372712  
1 1 1 42 8  0  o 12.3201  0.138343  151.897      3.40784  151.897      3.40784  151.897      3.40784  12.3224  0.0977915 ?        ?         
1 1 1 42 8  1  o 11.5525  0.0954161 133.507      2.2046   133.252      3.11448  133.764      3.12108  11.5395  0.134949  11.5616  0.134976  
1 1 1 42 8  2  o 12.2804  0.0983445 150.865      2.41543  154.222      3.44418  147.616      3.38836  12.414   0.138722  12.1452  0.139494  
1 1 1 42 8  3  o 13.6959  0.107487  187.663      2.94424  185.263      4.422    189.574      3.9461   13.6039  0.162526  13.7629  0.14336   
1 1 1 42 8  4  o 6.42261  0.0800572 41.2609      1.02835  44.2667      1.55681  38.9342      1.36971  6.65141  0.117028  6.23815  0.109785  
1 1 1 42 8  5  o 1.3788   0.194805  1.90425      0.537192 2.48033      0.746339 1.28499      0.773813 1.57293  0.237244  1.12037  0.325865  
1 1 1 42 8  6  o 6.19961  0.0693715 38.4437      0.860153 38.1162      1.21897  38.7686      1.21393  6.17243  0.0987428 6.22507  0.0975033 
1 1 1 42 8  7  o 9.73194  0.079645  94.7399      1.5502   92.237       2.17868  97.3065      2.2062   9.60099  0.113461  9.86139  0.111861  
1 1 1 42 8  8  o 6.94797  0.0711139 48.287       0.988195 47.6377      1.39751  48.9363      1.39752  6.90017  0.101266  6.99364  0.099914  
1 1 1 42 8  9  o 6.70044  0.0736483 44.9095      0.986951 45.4866      1.41699  44.3656      1.37545  6.74231  0.105082  6.65878  0.103281  
1 1 1 42 8  10 o 5.48274  0.0736702 30.0702      0.807828 30.2914      1.1097   29.8208      1.17827  5.50207  0.100844  5.45893  0.107921  
1 1 1 42 8  11 o 4.35585  0.0768536 18.9807      0.669526 19.9553      0.984066 18.1408      0.913565 4.46534  0.110189  4.25759  0.107287  
1 1 1 42 8  12 o 5.55844  0.0750746 30.9088      0.834595 30.7283      1.18797  31.0847      1.17277  5.54098  0.107198  5.57312  0.105217  
1 1 1 42 8  13 o 5.28434  0.0747257 27.937       0.789752 26.7818      1.12195  29.0715      1.11188  5.17261  0.108451  5.38944  0.103153  
1 1 1 42 8  14 o 4.81972  0.0793904 23.2438      0.765279 23.6087      1.06727  22.8577      1.09792  4.85607  0.10989   4.77795  0.114894  
1 1 1 42 8  15 o 5.39665  0.0789693 29.1434      0.85234  28.3221      1.14145  30.1785      1.28145  5.31857  0.107307  5.48949  0.116718  
1 1 1 42 8  16 o 2.38889  0.126522  5.71754      0.604492 5.75221      0.863738 5.68426      0.846291 2.39377  0.180414  2.37972  0.177813  
1 1 1 42 8  17 o 2.74782  0.113635  7.5637       0.624498 7.14157      0.890031 7.97307      0.876472 2.66736  0.166837  2.81906  0.155454  
1 1 1 42 8  18 o 2.63643  0.122601  6.96628      0.646458 7.45895      0.888202 6.41131      0.942686 2.7257   0.162931  2.52548  0.186635  
1 1 1 42 8  19 o 5.25049  0.0802799 27.5976      0.843018 28.2365      1.18389  26.9404      1.2007   5.30821  0.111515  5.18452  0.115797  
1 1 1 42 8  20 o 4.12128  0.0900809 17.0113      0.742498 17.8957      1.04489  16.1092      1.05528  4.22417  0.12368   4.007    0.13168   
1 1 1 42 8  21 o 3.59498  0.0998666 12.9508      0.718038 11.958       0.969997 14.1544      1.06798  3.45097  0.14054   3.75436  0.142232  
1 1 1 42 8  22 o 7.29754  0.0825686 53.3402      1.2051   53.7286      1.61724  52.8553      1.80704  7.31941  0.110476  7.25686  0.124506  
1 1 1 42 8  23 o 1.36886  0.258825  1.96826      0.682778 2.48437      0.940703 1.39367      0.992572 1.52799  0.318307  1.16775  0.37524   
1 1 1 42 8  24 o 2.19354  0.163454  4.85121      0.717087 4.52439      1.03412  5.15391      0.995229 2.10757  0.245333  2.25333  0.220836  
1 1 1 42 8  25 o 2.37345  0.155316  5.68126      0.737268 4.74632      1.00797  6.75694      1.08118  2.15778  0.233568  2.57934  0.209585  
1 1 1 42 8  26 o 2.86712  0.142328  8.28128      0.816142 8.0906       1.17564  8.45867      1.13389  2.8219   0.208307  2.88792  0.196316  
1 1 1 42 8  27 o 2.32602  0.172814  5.47532      0.803938 6.03204      1.10878  4.85823      1.16736  2.43049  0.228097  2.17255  0.268662  
1 1 1 42 8  28 o 1.51703  0.276678  2.45662      0.808335 2.84213      1.13651  2.06196      1.14993  1.60531  0.362528  1.36492  0.397321  
1 1 1 42 8  29 o 1.67552  0.241302  2.90059      0.808612 2.98213      1.19823  2.83241      1.09573  1.63374  0.374521  1.59943  0.352049  
1 1 1 42 8  30 o 2.0126   0.208386  4.16005      0.838795 4.3922       1.17898  3.92211      1.19362  2.04291  0.288555  1.923    0.310355  
1 1 1 42 8  31 o 2.36305  0.179891  5.71658      0.850183 6.16271      1.19656  5.26172      1.20821  2.42922  0.246284  2.23495  0.2703    
1 1 1 42 8  32 o 1.03386  0.348422  1.13306      0.854141 1.99848      1.20499  0.259112     1.21091  1.31772  0.412165  0.900281 0.383192  
1 1 1 42 8  33 o 2.39843  0.184755  5.92637      0.886241 6.39985      1.25276  5.45201      1.25391  2.4599   0.254636  2.2589   0.277549  
1 1 1 42 8  34 o 0.886065 0.3431    0.705659     0.867885 0.517436     1.20571  0.908049     1.25026  0.921668 0.386851  1.00979  0.405533  
1 1 1 42 8  35 f 0.97789  0.352597  1.0449       0.884458 2.72368      1.2504   -0.636095    1.25122  1.46634  0.410351  0.746438 0.347018  
1 1 1 42 8  36 o 1.70688  0.257675  3.22714      0.87964  3.23056      1.2411   3.22369      1.24692  1.58122  0.393538  1.57754  0.395576  
1 1 1 42 8  37 o 2.88592  0.176983  8.83125      1.02152  8.53385      1.4413   9.13142      1.44801  2.74492  0.26254   2.85006  0.254031  
1 1 1 42 8  38 o 0.528684 0.260404  -1.47482     0.969067 -0.104269    1.39093  -2.76757     1.35088  0.781307 0.36425   0.560036 0.280056  
1 1 1 42 8  39 o 1.10763  0.396147  1.9506       1.11443  2.69012      1.66827  1.35464      1.4976   1.17217  0.469399  0.958919 0.417454  
1 1 1 42 8  40 o 0.677877 0.322265  -0.0749112   1.18691  -0.614532    1.70697  0.430199     1.65148  0.705896 0.347659  0.778542 0.372946  
1 1 1 42 8  41 o 0.779863 0.355672  1.17332      1.23877  0.547463     1.85967  1.67253      1.6609   0.725309 0.357222  0.80977  0.383191  
1 1 1 42 9  0  o 11.8991  0.130688  141.69       3.10929  141.69       3.10929  141.69       3.10929  11.9012  0.0923813 ?        ?         
1 1 1 42 9  1  o 4.47368  0.0762683 20.0187      0.6824   20.2573      1.01068  19.8188      0.925103 4.4996   0.112308  4.4508   0.103925  
1 1 1 42 9  2  o 1.91932  0.144606  3.6871       0.555088 3.91796      0.805281 3.47811      0.766203 1.97759  0.203602  1.86324  0.20561   
1 1 1 42 9  3  o 11.1304  0.0945048 123.934      2.10374  124.674      2.94996  123.168      3.00098  11.1614  0.13215   11.0935  0.135258  
1 1 1 42 9  4  o 6.3565   0.071168  40.4144      0.904759 40.639       1.28323  40.1924      1.27585  6.37338  0.100671  6.33827  0.100646  
1 1 1 42 9  5  o 11.7825  0.0936094 138.885      2.20591  138.639      3.08295  139.143      3.15764  11.7697  0.13097   11.7909  0.133902  
1 1 1 42 9  6  o 5.38393  0.068627  28.9935      0.738966 28.66        1.02982  29.3476      1.06099  5.35227  0.0962038 5.41604  0.0979491 
1 1 1 42 9  7  o 13.3483  0.096835  178.266      2.58517  175.704      3.58393  181.046      3.73257  13.249   0.135253  13.4485  0.138772  
1 1 1 42 9  8  o 6.40434  0.0688389 41.0265      0.881735 41.3892      1.24968  40.6669      1.24426  6.43175  0.0971495 6.37536  0.0975835 
1 1 1 42 9  9  o 2.27746  0.122157  5.19147      0.556418 5.80284      0.774798 4.54038      0.799574 2.40704  0.160944  2.12856  0.18782   
1 1 1 42 9  10 o 7.09784  0.0754585 50.3978      1.07119  51.5389      1.56229  49.3855      1.47155  7.17628  0.108851  7.02497  0.104737  
1 1 1 42 9  11 o 6.90885  0.0740636 47.7506      1.02339  47.4438      1.46657  48.0419      1.42875  6.88515  0.106502  6.92859  0.103105  
1 1 1 42 9  12 o 6.69847  0.077636  44.8907      1.04009  45.6193      1.50772  44.2293      1.43666  6.75086  0.111669  6.64743  0.108061  
1 1 1 42 9  13 o 7.96219  0.0784165 63.4319      1.24873  64.8266      1.74337  61.9624      1.78949  8.04721  0.108321  7.867    0.113734  
1 1 1 42 9  14 o 2.14486  0.137758  4.60955      0.590944 4.78344      0.818268 4.41998      0.854341 2.18313  0.187407  2.09786  0.203622  
1 1 1 42 9  15 o 7.58033  0.0781514 57.501       1.18483  57.8881      1.67448  57.113       1.67672  7.60321  0.110117  7.55205  0.111011  
1 1 1 42 9  16 o 3.45973  0.0945257 11.9833      0.654066 11.6184      0.918044 12.3594      0.932094 3.40464  0.134822  3.51167  0.132714  
1 1 1 42 9  17 o 5.58087  0.0768752 31.1722      0.85806  30.8637      1.24409  31.4521      1.18502  5.55054  0.11207   5.60375  0.105735  
1 1 1 42 9  18 o 2.18306  0.141325  4.7807       0.617042 4.83866      0.855948 4.718        0.890325 2.19308  0.195148  2.16484  0.205633  
1 1 1 42 9  19 o 7.11695  0.0879045 50.721       1.25122  52.7831      1.78659  48.736       1.75289  7.25532  0.123123  6.97122  0.125723  
1 1 1 42 9  20 o 3.96312  0.0934444 15.7338      0.740662 16.7303      1.00885  14.5686      1.09086  4.08406  0.123511  3.80911  0.14319   
1 1 1 42 9  21 o 3.83454  0.0929608 14.7315      0.712924 15.0583      0.973924 14.3544      1.04643  3.87384  0.125705  3.78084  0.138386  
1 1 1 42 9  22 o 3.38739  0.106334  11.5072      0.720388 11.5054      0.963157 11.5096      1.08531  3.38333  0.142339  3.38163  0.160471  
1 1 1 42 9  23 o 5.12312  0.0886951 26.306       0.908791 26.8859      1.29775  25.7479      1.27305  5.17351  0.125423  5.06278  0.125727  
1 1 1 42 9  24 o 4.77881  0.0911508 22.8979      0.871186 22.5294      1.20499  23.3016      1.261    4.73406  0.127268  4.81376  0.130979  
1 1 1 42 9  25 o 2.85521  0.139705  8.20952      0.797774 7.86953      1.09999  8.58681      1.15875  2.78565  0.197438  2.90949  0.199133  
1 1 1 42 9  26 o 2.1276   0.188009  4.58838      0.800016 5.78573      1.13125  3.3904       1.13154  2.37951  0.237705  1.77866  0.330454  
1 1 1 42 9  27 o 3.29792  0.126577  10.9512      0.834881 9.62952      1.13821  12.4905      1.22833  3.08047  0.184747  3.51101  0.174925  
1 1 1 42 9  28 f 2.56205  0.164009  6.65403      0.840397 6.38776      1.15688  6.95154      1.22287  2.49342  0.231987  2.60017  0.235152  
1 1 1 42 9  29 o 3.31305  0.137752  11.0978      0.91276  10.9568      1.31736  11.2281      1.26585  3.27157  0.201335  3.3157   0.190887  
1 1 1 42 9  30 o 2.55765  0.168644  6.66216      0.862667 5.39819      1.22664  7.89912      1.21346  2.26999  0.270185  2.7675   0.219234  
1 1 1 42 9  31 o 0.622323 0.285635  -0.497516    0.814651 -0.181985    1.15278  -0.812288    1.1514   0.807158 0.357883  0.715798 0.332818  
1 1 1 42 9  32 o 1.49819  0.292654  2.46799      0.845625 2.3329       1.17806  2.61158      1.21457  1.41338  0.399205  1.49421  0.398842  
1 1 1 42 9  33 o 0.615863 0.286497  -0.61707     0.85458  -0.851379    1.22856  -0.397421    1.1895   0.729138 0.340858  0.775657 0.352348  
1 1 1 42 9  34 o 1.00522  0.348925  1.12225      0.858942 0.524274     1.22334  1.70368      1.20629  0.923746 0.388787  1.1922   0.413533  
1 1 1 42 9  35 o 2.05568  0.218414  4.50278      0.89798  4.80091      1.25771  4.19278      1.28252  2.06302  0.304823  1.87338  0.35518   
1 1 1 42 9  36 o 2.31394  0.2077    5.75569      0.96121  4.83309      1.31192  6.82495      1.41234  2.02028  0.324687  2.44007  0.289407  
1 1 1 42 9  37 o 2.25794  0.213914  5.56836      0.966008 5.68147      1.44091  5.47603      1.30192  2.15243  0.334718  2.14942  0.302853  
1 1 1 42 9  38 o 0.834644 0.35169   0.729199     1.00293  1.25874      1.51781  0.318805     1.33619  0.968954 0.421016  0.816431 0.371554  
1 1 1 42 9  39 o 1.03897  0.391771  1.80958      1.10955  -0.953995    1.69229  3.89337      1.46948  0.717403 0.351144  1.45629  0.455088  
1 1 1 42 9  40 o 0.683042 0.324736  -0.0922029   1.20531  0.0224694    1.72207  -0.202329    1.68759  0.756785 0.366491  0.737531 0.358863  
1 1 1 42 10 0  o 12.5273  0.136941  157.058      3.43008  157.058      3.43008  157.058      3.43008  12.5298  0.0967996 ?        ?         
1 1 1 42 10 1  o 6.93168  0.0706462 48.0594      0.979394 47.3961      1.3877   48.7177      1.38246  6.88284  0.100809  6.9782   0.0990554 
1 1 1 42 10 2  o 4.91182  0.0734436 24.1321      0.721483 25.1012      1.05995  23.2954      0.984842 5.00878  0.10581   4.82534  0.102049  
1 1 1 42 10 3  o 11.9975  0.0936369 144          2.24681  141.573      3.22139  146.3        3.13531  11.8932  0.13543   12.0905  0.12966   
1 1 1 42 10 4  o 8.35857  0.0747934 69.885       1.25033  68.8805      1.77939  70.8648      1.75729  8.29706  0.10723   8.41585  0.104404  
1 1 1 42 10 5  o 5.60338  0.0693793 31.4056      0.777517 30.6704      1.07836  32.2017      1.1221   5.53674  0.0973819 5.67323  0.0988941 
1 1 1 42 10 6  o 9.00427  0.0818169 81.1064      1.4734   85.0646      2.1368   77.5185      2.03439  9.21971  0.115882  8.8013   0.115573  
1 1 1 42 10 7  o 10.8396  0.0842525 117.544      1.82652  116.475      2.52756  118.712      2.64246  10.7882  0.117145  10.891   0.121314  
1 1 1 42 10 8  o 11.9442  0.0912228 142.736      2.17917  141.241      3.03329  144.33       3.13274  11.8786  0.127678  12.0075  0.130449  
1 1 1 42 10 9  o 3.70302  0.0846255 13.7187      0.62674  13.1761      0.84352  14.3874      0.936432 3.62829  0.116242  3.79119  0.123501  
1 1 1 42 10 10 o 4.55955  0.07566   20.7978      0.689951 21.6787      0.958687 19.8513      0.993732 4.65429  0.10299   4.45352  0.111567  
1 1 1 42 10 11 o 2.74751  0.106494  7.55541      0.585187 8.13753      0.838921 7.00374      0.816685 2.85023  0.147167  2.644    0.154441  
1 1 1 42 10 12 o 4.57856  0.0819504 20.9756      0.75043  21.3042      1.08895  20.6783      1.0356   4.61283  0.118035  4.54475  0.113933  
1 1 1 42 10 13 o 2.52386  0.112722  6.37815      0.568988 6.27511      0.805746 6.48064      0.803599 2.50173  0.161038  2.54249  0.158034  
1 1 1 42 10 14 o 3.5687   0.0912135 12.7473      0.651028 11.7453      0.898315 13.8557      0.94483  3.42391  0.131183  3.71903  0.127026  
1 1 1 42 10 15 f 4.558    0.0816432 20.7921      0.744259 21.0975      1.04447  20.477       1.06081  4.58961  0.113786  4.52139  0.11731   
1 1 1 42 10 16 o 8.41125  0.0828967 70.8157      1.39453  70.6286      1.94824  71.0122      1.99699  8.39635  0.116017  8.41877  0.118603  
1 1 1 42 10 17 o 5.90918  0.075866  34.9484      0.896611 35.6276      1.29523  34.3233      1.24242  5.96359  0.108595  5.85365  0.106123  
1 1 1 42 10 18 o 8.68172  0.0866731 75.4674      1.50494  76.8228      2.16824  74.2075      2.09051  8.75349  0.12385   8.60362  0.12149   
1 1 1 42 10 19 o 4.45606  0.0915    19.888       0.815459 18.7918      1.14211  21.028       1.16468  4.3278   0.131951  4.57861  0.127187  
1 1 1 42 10 20 o 3.80546  0.0960477 14.5093      0.731012 14.2282      0.990799 14.8451      1.08295  3.76531  0.131569  3.84508  0.140823  
1 1 1 42 10 21 o 0.747436 0.288222  0.378859     0.611133 0.398854     0.824134 0.354432     0.910911 0.834907 0.331431  0.854879 0.344975  
1 1 1 42 10 22 o 3.57704  0.10461   12.8332      0.748387 12.7029      1.02712  12.9807      1.09268  3.55415  0.144495  3.59171  0.152111  
1 1 1 42 10 23 o 5.18909  0.0878407 26.9891      0.911626 27.2799      1.27547  26.6855      1.30345  5.21132  0.122375  5.15345  0.126464  
1 1 1 42 10 24 o 3.62816  0.112799  13.2205      0.818508 13.7487      1.13845  12.6553      1.17764  3.69289  0.15414   3.54066  0.166302  
1 1 1 42 10 25 o 1.22313  0.306377  1.60553      0.748581 0.984394     1.08141  2.177        1.03727  1.05814  0.389057  1.41534  0.364353  
1 1 1 42 10 26 f 2.46296  0.164125  6.13113      0.808468 6.57695      1.12619  5.65706      1.16131  2.53977  0.22171   2.35001  0.247088  
1 1 1 42 10 27 o 1.63634  0.228548  2.74515      0.747963 2.43445      1.01421  3.11565      1.1075   1.4904   0.346509  1.69293  0.339061  
1 1 1 42 10 28 o 4.76955  0.112027  22.9025      1.06864  22.856       1.54902  22.9448      1.47618  4.74674  0.163166  4.75922  0.155087  
1 1 1 42 10 29 o 4.52188  0.111075  20.5986      1.00453  21.2495      1.42104  19.9485      1.4202   4.57665  0.155249  4.43228  0.160211  
1 1 1 42 10 30 o 3.55815  0.132237  12.8107      0.941039 12.5297      1.34573  13.0796      1.31641  3.49602  0.192466  3.57566  0.18408   
1 1 1 42 10 31 o 0.966494 0.339227  0.943022     0.813765 0.848728     1.14678  1.03866      1.15494  1.0073   0.393494  1.05497  0.399144  
1 1 1 42 10 32 o 3.3177   0.140271  11.1964      0.930754 11.7591      1.30025  10.605       1.33293  3.37505  0.192626  3.19658  0.208494  
1 1 1 42 10 33 o 2.34763  0.188957  5.71571      0.887204 4.2524       1.2488   7.20701      1.26068  1.962    0.318246  2.60698  0.241789  
1 1 1 42 10 34 o 2.0567   0.21722   4.47664      0.893514 4.6471       1.26012  4.30427      1.26715  2.03895  0.309013  1.95167  0.324632  
1 1 1 42 10 35 o 1.56819  0.289461  2.81865      0.873753 3.96566      1.22931  1.64759      1.24213  1.81704  0.350793  1.15279  0.417637  
1 1 1 42 10 36 o 1.8945   0.242463  3.97567      0.918693 3.80975      1.25957  4.16425      1.34289  1.72207  0.376098  1.79227  0.385684  
1 1 1 42 10 37 o 1.20437  0.369419  1.97356      0.974381 0.786422     1.38296  3.14377      1.37306  0.921982 0.401262  1.44651  0.437501  
1 1 1 42 10 38 o 1.32592  0.373738  2.53843      1.03357  2.11886      1.53988  2.88243      1.39432  1.10832  0.448001  1.30462  0.445167  
1 1 1 42 10 39 o 0.843482 0.364375  1.00501      1.12448  2.03887      1.67306  0.1532       1.51863  0.990899 0.436209  0.766929 0.364566  
1 1 1 42 10 40 f 0.566145 0.280845  -1.41383     1.20266  -2.14056     1.72722  -0.729913    1.67558  0.625032 0.314323  0.695316 0.34248   
1 1 1 42 11 0  o 12.6012  0.134289  158.916      3.38354  158.916      3.38354  158.916      3.38354  12.6037  0.0949258 ?        ?         
1 1 1 42 11 1  o 3.53062  0.0842897 12.4697      0.595189 11.7598      0.854885 13.1376      0.829153 3.42791  0.124695  3.62338  0.114417  
1 1 1 42 11 2  o 6.9474   0.0714799 48.279       0.993199 46.9179      1.41078  49.6165      1.39849  6.84781  0.10301   7.04213  0.0992944 
1 1 1 42 11 3  f 9.24965  0.0783662 85.5835      1.44972  85.6191      2.0871   85.5503      2.01522  9.24999  0.112816  9.24648  0.108972  
1 1 1 42 11 4  o 3.56749  0.0801472 12.7314      0.571848 12.2453      0.807613 13.2202      0.809823 3.49807  0.115437  3.63475  0.1114    
1 1 1 42 11 5  o 22.9676  0.158283  528.25       7.27078  526.904      10.2737  529.601      10.2912  22.9223  0.224098  22.981   0.223907  
1 1 1 42 11 6  o 6.1022   0.070306  37.2476      0.858043 37.568       1.26296  36.973       1.16935  6.12738  0.103059  6.0789   0.0961808 
1 1 1 42 11 7  o 7.28876  0.0837191 53.1488      1.22042  52.8423      1.68472  53.4872      1.77031  7.26626  0.115928  7.31019  0.121085  
1 1 1 42 11 8  f 1.59078  0.157279  2.53464      0.500392 2.16142      0.687687 2.95462      0.729483 1.46752  0.234302  1.71635  0.21251   
1 1 1 42 11 9  o 4.75824  0.0749979 22.6498      0.713716 23.6069      0.976138 21.5503      1.04619  4.85696  0.100489  4.64014  0.112733  
1 1 1 42 11 10 o 10.838   0.0917378 117.537      1.98851  113.252      2.81542  121.803      2.80893  10.6348  0.132369  11.0295  0.127337  
1 1 1 42 11 11 o 7.29082  0.0798812 53.1851      1.1648   52.2151      1.68875  54.0654      1.60871  7.22176  0.116921  7.34913  0.109449  
1 1 1 42 11 12 o 8.37908  0.0817454 70.2553      1.3699   70.7886      1.89345  69.6695      1.98442  8.40837  0.112593  8.34104  0.118955  
1 1 1 42 11 13 o 3.27728  0.09509   10.751       0.623273 10.9455      0.88179  10.5568      0.881092 3.30525  0.133392  3.24592  0.135723  
1 1 1 42 11 14 f 1.58009  0.185148  2.50663      0.585101 2.50327      0.8253   2.51003      0.829634 1.57588  0.261853  1.57796  0.262882  
1 1 1 42 11 15 o 7.98657  0.076643  63.8343      1.22423  64.532       1.7739   63.1998      1.69167  8.02677  0.110499  7.94394  0.106476  
1 1 1 42 11 16 o 4.02027  0.0893858 16.1811      0.71871  16.7228      1.04192  15.6894      0.992687 4.08455  0.127544  3.95648  0.125451  
1 1 1 42 11 17 o 0.956605 0.283041  0.940031     0.578972 1.17206      0.823577 0.713319     0.814086 1.07896  0.341314  0.925901 0.337841  
1 1 1 42 11 18 f 6.34253  0.0857126 40.2808      1.08727  41.0623      1.54684  39.5176      1.52859  6.39956  0.120855  6.27792  0.121743  
1 1 1 42 11 19 o 7.23477  0.0831953 52.4143      1.2038   52.0971      1.63619  52.7885      1.77741  7.20859  0.113489  7.25474  0.1225    
1 1 1 42 11 20 o 4.92928  0.0835283 24.3346      0.823469 24.0363      1.11703  24.6898      1.21873  4.89581  0.11408   4.96081  0.122835  
1 1 1 42 11 21 o 3.24939  0.11036   10.5905      0.717204 10.652       0.984628 10.5209      1.04678  3.25453  0.15127   3.23311  0.161885  
1 1 1 42 11 22 o 2.55967  0.133303  6.58501      0.682421 7.11397      0.950595 6.02251      0.980268 2.65522  0.179005  2.44023  0.200856  
1 1 1 42 11 23 o 3.23399  0.113963  10.5014      0.737111 11.0744      1.00755  9.84157      1.0812   3.31572  0.151936  3.12233  0.173141  
1 1 1 42 11 24 o 2.64361  0.146885  7.04321      0.776611 6.50013      1.06676  7.6556       1.1328   2.52919  0.210891  2.74574  0.206283  
1 1 1 42 11 25 o 6.95914  0.0908805 48.5782      1.2649   49.8361      1.77584  47.2828      1.80213  7.03855  0.126151  6.85413  0.131463  
1 1 1 42 11 26 o 0.606002 0.277273  -0.496263    0.760977 -1.06551     1.04855  0.13722      1.10613  0.655604 0.308304  0.867043 0.367533  
1 1 1 42 11 27 o 3.68606  0.114194  13.676       0.841851 13.8628      1.15117  13.4613      1.23428  3.70095  0.155524  3.6429   0.169409  
1 1 1 42 11 28 o 6.56184  0.0980859 43.2938      1.28725  43.5447      1.78374  43.0212      1.85951  6.56425  0.135868  6.52122  0.142574  
1 1 1 42 11 29 o 4.41828  0.114547  19.6799      1.0122   19.1056      1.46355  20.2064      1.40142  4.33248  0.168904  4.46084  0.15708   
1 1 1 42 11 30 o 2.12484  0.201228  4.64701      0.855154 4.68187      1.19799  4.61079      1.22108  2.10319  0.284804  2.08381  0.292992  
1 1 1 42 11 31 o 0.865391 0.336372  0.590505     0.835831 0.838943     1.17993  0.340282     1.18416  1.01161  0.398149  0.908225 0.382395  
1 1 1 42 11 32 o 2.98952  0.150866  9.11656      0.902031 9.35865      1.26522  8.86631      1.28638  3.00088  0.210807  2.91565  0.220599  
1 1 1 42 11 33 o 0.89155  0.339828  0.738068     0.842342 0.576984     1.19795  0.8956       1.18467  0.934144 0.388447  0.998269 0.397026  
1 1 1 42 11 34 o 2.02081  0.219376  4.33322      0.886637 5.86004      1.25591  2.81615      1.25189  2.31466  0.271294  1.4979   0.407238  
1 1 1 42 11 35 o 0.987492 0.348821  1.13112      0.861668 2.3059       1.22077  -0.0353053   1.21641  1.32186  0.415133  0.804678 0.361643  
1 1 1 42 11 36 o 0.763669 0.327587  0.308622     0.897185 0.958966     1.25979  -0.360682    1.27803  0.963966 0.399441  0.760606 0.352491  
1 1 1 42 11 37 o 1.39131  0.356659  2.60153      0.997049 2.71921      1.49328  2.50685      1.33933  1.28516  0.458671  1.26494  0.436031  
1 1 1 42 11 38 o 1.10982  0.379442  1.8473       1.013    2.06         1.44809  1.64347      1.41759  1.09835  0.438286  1.02082  0.423405  
1 1 1 42 11 39 o 0.792121 0.354351  0.750322     1.15585  -0.612954    1.71698  1.88015      1.56307  0.71961  0.352569  0.95849  0.421786  
1 1 1 42 11 40 o 0.775314 0.353016  0.811651     1.20944  0.718136     1.73811  0.899431     1.68397  0.78607  0.37801   0.799532 0.381459  
1 1 1 42 12 0  o 2.04311  0.182293  4.27685      0.731255 4.27685      0.731255 4.27685      0.731255 2.05595  0.126857  ?        ?         
1 1 1 42 12 1  o 10.9899  0.0862082 120.828      1.89484  121.419      2.76131  120.301      2.60495  11.0143  0.125351  10.964   0.118796  
1 1 1 42 12 2  o 11.3798  0.0893304 129.558      2.03313  126.058      2.9263   132.825      2.82684  11.2223  0.130379  11.5202  0.122691  
1 1 1 42 12 3  o 6.7787   0.0708275 45.9638      0.960235 45.4524      1.38323  46.4395      1.33406  6.73983  0.102616  6.8128   0.0979084 
1 1 1 42 12 4  o 9.98225  0.0779236 99.6806      1.55571  99.8099      2.21237  99.5541      2.18803  9.98692  0.110763  9.97418  0.109685  
1 1 1 42 12 5  o 11.1629  0.0858195 124.666      1.91599  122.857      2.69241  126.522      2.72717  11.0791  0.121508  11.2432  0.121281  
1 1 1 42 12 6  o 9.94346  0.0789741 98.9112      1.57055  97.2974      2.19347  100.609      2.24979  9.86006  0.11123   10.0264  0.112193  
1 1 1 42 12 7  o 7.45024  0.0712488 55.5249      1.06164  56.5877      1.54306  54.5695      1.46292  7.51982  0.102599  7.38468  0.0990512 
1 1 1 42 12 8  o 14.6975  0.107846  216.196      3.17013  214.082      4.32357  218.653      4.66202  14.6201  0.147864  14.7737  0.157781  
1 1 1 42 12 9  o 6.13491  0.0723462 37.6523      0.887675 37.4471      1.2275   37.8772      1.28521  6.11702  0.100335  6.15184  0.104458  
1 1 1 42 12 10 o 14.2522  0.107204  203.324      3.05579  199.119      4.27136  207.732      4.37352  14.0971  0.151498  14.3987  0.151872  
1 1 1 42 12 11 o 9.07419  0.0817781 82.3943      1.48414  80.018       1.99881  85.3143      2.2157   8.9399   0.111791  9.23017  0.120025  
1 1 1 42 12 12 o 12.2053  0.0940647 149.108      2.29617  148.989      3.27152  149.224      3.22356  12.1945  0.134139  12.2045  0.132065  
1 1 1 42 12 13 o 2.06873  0.138247  4.28893      0.571991 4.32459      0.81186  4.25379      0.806007 2.07505  0.195624  2.05798  0.195824  
1 1 1 42 12 14 o 5.97813  0.0770598 35.7647      0.921347 37.1933      1.36207  34.5597      1.25097  6.09383  0.111758  5.87455  0.106474  
1 1 1 42 12 15 f 4.02     0.0863614 16.1772      0.694345 15.267       0.955039 17.1979      1.01128  3.9032   0.12234   4.14271  0.122055  
1 1 1 42 12 16 o 2.97508  0.112163  8.86801      0.667388 8.33311      0.91175  9.48541      0.979552 2.88118  0.158225  3.07385  0.159336  
1 1 1 42 12 17 o 2.60015  0.121757  6.77789      0.633172 6.04177      0.873368 7.59344      0.919278 2.45131  0.178143  2.74901  0.167202  
1 1 1 42 12 18 o 3.98652  0.0941327 15.9192      0.750523 16.4085      1.02261  15.348       1.10497  4.04457  0.126418  3.9102   0.141293  
1 1 1 42 12 19 o 11.9932  0.100556  144.139      2.41198  144.836      3.39766  143.431      3.42461  12.01    0.141451  11.951   0.143277  
1 1 1 42 12 20 o 2.64913  0.121566  7.04186      0.644091 6.7318       0.879747 7.40006      0.945575 2.58596  0.170101  2.71081  0.174408  
1 1 1 42 12 21 o 5.23751  0.0880324 27.4884      0.922141 26.7123      1.24635  28.4271      1.37072  5.1584   0.120807  5.32     0.128827  
1 1 1 42 12 22 o 2.17704  0.144276  4.76883      0.628189 4.14554      0.854998 5.49999      0.926036 2.02276  0.211345  2.33166  0.198579  
1 1 1 42 12 23 o 1.0245   0.301834  1.10056      0.659767 1.55567      0.884122 0.52862      0.991122 1.20761  0.347376  0.91893  0.363878  
1 1 1 42 12 24 o 3.4489   0.118448  11.9548      0.817034 12.1676      1.16343  11.7478      1.14766  3.4706   0.167612  3.41008  0.168274  
1 1 1 42 12 25 o 2.45103  0.158398  6.06691      0.776475 6.03343      1.093    6.10102      1.10328  2.43225  0.224689  2.44565  0.22556   
1 1 1 42 12 26 o 2.04828  0.191356  4.26362      0.783901 4.35382      1.05123  4.15065      1.17652  2.0569   0.255539  1.99915  0.294257  
1 1 1 42 12 27 o 0.668289 0.291371  -0.0849955   0.731817 0.211419     1.00804  -0.415315    1.06413  0.842207 0.353621  0.748582 0.337239  
1 1 1 42 12 28 o 3.62255  0.1255    13.2436      0.909261 13.111       1.24043  13.3977      1.33674  3.58968  0.172778  3.62439  0.184409  
1 1 1 42 12 29 o 1.79094  0.229214  3.31649      0.821019 3.51177      1.15513  3.11713      1.16715  1.78587  0.335753  1.66896  0.359925  
1 1 1 42 12 30 o 2.68038  0.160589  7.32308      0.86088  7.7984       1.22749  6.86296      1.20769  2.74174  0.223851  2.56724  0.235212  
1 1 1 42 12 31 o 2.17161  0.206904  4.87769      0.898629 4.21117      1.27869  5.52812      1.26316  1.9707   0.324426  2.28222  0.276738  
1 1 1 42 12 32 f 2.2974   0.187654  5.45104      0.862233 5.68922      1.21843  5.21212      1.22033  2.31169  0.263538  2.20584  0.276615  
1 1 1 42 12 33 o 0.604181 0.282826  -0.644941    0.850825 -0.417008    1.18416  -0.888187    1.22329  0.76074  0.347164  0.713359 0.33486   
1 1 1 42 12 34 o 1.23305  0.335579  1.81004      0.849536 1.78082      1.19225  1.84017      1.21082  1.19948  0.411593  1.21535  0.414841  
1 1 1 42 12 35 o 1.68921  0.26336   3.18087      0.889741 3.70276      1.23941  2.62593      1.27805  1.71625  0.371573  1.39182  0.42232   
1 1 1 42 12 36 o 1.16217  0.356046  1.74739      0.905484 1.12032      1.31896  2.30638      1.24531  0.996272 0.410389  1.27816  0.420707  
1 1 1 42 12 37 o 0.784357 0.337609  0.485032     0.958691 0.989669     1.41572  0.057633     1.30288  0.931904 0.40579   0.783807 0.36037   
1 1 1 42 12 38 o 0.604949 0.290545  -0.741903    1.0188   -0.75345     1.514    -0.732347    1.37729  0.720225 0.34789   0.69539  0.334913  
1 1 1 42 12 39 o 0.722165 0.333447  0.350839     1.13014  1.71769      1.65366  -0.847026    1.54807  0.912141 0.414639  0.670833 0.33044   
1 1 1 42 12 40 o 0.947668 0.386156  2.03092      1.15522  1.56002      1.63138  2.50453      1.63609  0.811106 0.382341  0.913699 0.414533  
1 1 1 42 13 0  o 0.904031 0.388924  1.16945      0.716518 1.16945      0.716518 1.16945      0.716518 0.966516 0.300064  ?        ?         
1 1 1 42 13 1  o 16.3014  0.116715  265.952      3.80523  259.174      5.3145   273.082      5.45091  16.0858  0.165192  16.5118  0.165061  
1 1 1 42 13 2  o 9.94093  0.0832868 98.8634      1.6559   97.2334      2.38135  100.389      2.30414  9.85635  0.120803  10.0154  0.11503   
1 1 1 42 13 3  o 11.1084  0.087509  123.455      1.94418  122.915      2.68607  124.05       2.81761  11.0817  0.121194  11.1322  0.126552  
1 1 1 42 13 4  o 4.81796  0.0683747 23.2196      0.658854 23.3806      0.950379 23.0706      0.914194 4.83386  0.0983044 4.8018   0.0951927 
1 1 1 42 13 5  o 8.0121   0.0741132 64.2169      1.18761  63.3651      1.69694  65.0346      1.66264  7.95722  0.106629  8.06156  0.103122  
1 1 1 42 13 6  o 1.44878  0.156837  2.1025       0.454443 2.14995      0.640262 2.05434      0.645124 1.46384  0.218693  1.43077  0.225447  
1 1 1 42 13 7  o 2.10801  0.114405  4.44795      0.482333 4.39056      0.663253 4.51237      0.702698 2.09343  0.158413  2.12209  0.165567  
1 1 1 42 13 8  o 5.9208   0.0688883 35.0688      0.815747 34.584       1.15362  35.5537      1.15366  5.87858  0.0981209 5.96049  0.0967755 
1 1 1 42 13 9  o 8.15383  0.0765602 66.5185      1.24852  65.3214      1.73975  67.7897      1.79279  8.07812  0.107683  8.22923  0.108928  
1 1 1 42 13 10 o 9.99972  0.0874399 100.068      1.74875  97.3438      2.44256  102.933      2.50482  9.85903  0.123874  10.1382  0.123534  
1 1 1 42 13 11 o 3.66792  0.0839802 13.4637      0.616066 14.0601      0.888416 12.9113      0.85504  3.74691  0.118553  3.59056  0.119068  
1 1 1 42 13 12 o 4.67526  0.0752968 21.8719      0.704064 21.696       0.992899 22.0498      0.998519 4.65493  0.10665   4.69274  0.10639   
1 1 1 42 13 13 o 8.23207  0.0830727 67.8243      1.36772  67.0902      1.88741  68.6362      1.98475  8.18417  0.115309  8.27738  0.11989   
1 1 1 42 13 14 o 2.59675  0.11497   6.75532      0.597097 7.28783      0.859248 6.25804      0.830339 2.69491  0.15942   2.49689  0.166275  
1 1 1 42 13 15 o 4.33771  0.0809269 18.8339      0.702075 18.3419      0.993523 19.3246      0.992246 4.27846  0.116108  4.39181  0.112966  
1 1 1 42 13 16 o 6.34885  0.0829929 40.3533      1.05382  41.0385      1.43374  39.548       1.55419  6.39952  0.11202   6.28081  0.123725  
1 1 1 42 13 17 o 5.21455  0.0816995 27.2247      0.852052 28.017       1.1754   26.3473      1.23692  5.28712  0.111157  5.12613  0.120649  
1 1 1 42 13 18 o 5.4428   0.0809189 29.663       0.880851 28.9496      1.1871   30.5371      1.31396  5.37392  0.11045   5.51821  0.119056  
1 1 1 42 13 19 o 4.32311  0.0894997 18.722       0.773834 19.2701      1.11297  18.2091      1.07666  4.38211  0.126991  4.25984  0.126374  
1 1 1 42 13 20 o 2.41458  0.135634  5.85678      0.654998 5.82015      0.876867 5.90302      0.985178 2.40262  0.182481  2.41723  0.203783  
1 1 1 42 13 21 o 1.05851  0.28455   1.18546      0.61549  1.04852      0.829713 1.35302      0.917808 1.03085  0.343404  1.14496  0.360029  
1 1 1 42 13 22 o 3.74988  0.100417  14.1058      0.753103 13.5472      1.01924  14.7774      1.11765  3.66959  0.138876  3.83141  0.145854  
1 1 1 42 13 23 o 0.638507 0.282503  -0.204256    0.713184 -0.697442    0.965793 0.387195     1.05764  0.671063 0.309241  0.905823 0.36936   
1 1 1 42 13 24 o 6.74469  0.0903579 45.6256      1.21887  45.289       1.60455  46.0847      1.87418  6.71218  0.119525  6.76485  0.138523  
1 1 1 42 13 25 o 2.50725  0.159308  6.35013      0.798853 5.80022      1.09824  6.96801      1.16413  2.38301  0.230431  2.61372  0.222697  
1 1 1 42 13 26 o 3.91901  0.11135   15.4533      0.872762 16.0776      1.14678  14.5939      1.34543  3.98941  0.143728  3.79086  0.177457  
1 1 1 42 13 27 o 1.53001  0.250596  2.42149      0.76683  2.43379      1.05911  2.40794      1.11173  1.48016  0.360591  1.46803  0.376781  
1 1 1 42 13 28 o 2.55171  0.159146  6.61058      0.812185 6.23689      1.11688  7.02996      1.18319  2.45929  0.227073  2.61115  0.226566  
1 1 1 42 13 29 o 2.18585  0.194034  4.90047      0.848259 3.12584      1.17274  6.84764      1.22843  1.66772  0.361766  2.56722  0.239253  
1 1 1 42 13 30 o 0.864733 0.332065  0.613381     0.8092   0.734478     1.11662  0.479447     1.17432  0.974336 0.3861    0.933937 0.386243  
1 1 1 42 13 31 o 5.28396  0.114126  28.2372      1.20607  28.4364      1.74729  28.0559      1.66684  5.27009  0.165774  5.23955  0.159063  
1 1 1 42 13 32 o 3.83454  0.132644  14.9679      1.01726  14.5589      1.42825  15.3889      1.44922  3.74721  0.190575  3.85439  0.187996  
1 1 1 42 13 33 o 1.52213  0.299753  2.63486      0.880024 2.88817      1.22507  2.36478      1.26497  1.53025  0.396975  1.3706   0.421019  
1 1 1 42 13 34 o 2.131    0.208653  4.82208      0.889278 5.39302      1.27033  4.27342      1.2453   2.19546  0.289308  1.90025  0.339948  
1 1 1 42 13 35 o 1.69385  0.266896  3.23544      0.904164 3.7607       1.26959  2.69485      1.28797  1.70848  0.381323  1.39413  0.424144  
1 1 1 42 13 36 o 2.13833  0.213902  5.00575      0.914785 5.14724      1.27715  4.85668      1.31091  2.07391  0.307909  1.99129  0.329162  
1 1 1 42 13 37 o 0.743959 0.329088  0.297088     0.967067 -0.509903    1.42101  0.993277     1.31986  0.736142 0.351024  0.913963 0.394793  
1 1 1 42 13 38 o 0.53122  0.261731  -1.35985     1.00075  -1.31524     1.47666  -1.39775     1.36095  0.653005 0.321642  0.623257 0.306962  
1 1 1 42 13 39 o 0.785523 0.351572  0.759868     1.13903  0.167102     1.57518  1.40953      1.64904  0.755496 0.362466  0.88232  0.405563  
1 1 1 42 14 0  o 14.5182  0.144934  210.983      4.20742  210.983      4.20742  210.983      4.20742  14.5217  0.102448  ?        ?         
1 1 1 42 14 1  o 9.75842  0.0803282 95.2665      1.56775  94.0458      2.20326  96.5184      2.23128  9.69362  0.113645  9.82022  0.113607  
1 1 1 42 14 2  o 1.46905  0.179942  2.1627       0.528688 2.72895      0.748818 1.59988      0.746543 1.64913  0.227034  1.23652  0.303678  
1 1 1 42 14 3  o 4.60825  0.0697858 21.2429      0.643182 20.9319      0.897147 21.5718      0.922579 4.57365  0.0980779 4.643    0.0993517 
1 1 1 42 14 4  o 7.30387  0.0689104 53.364       1.00662  52.2357      1.41257  54.5282      1.43485  7.22501  0.0977558 7.38188  0.0971874 
1 1 1 42 14 5  o 7.7166   0.0723852 59.5684      1.11714  60.6408      1.60585  58.5627      1.5551   7.78421  0.103148  7.64975  0.101644  
1 1 1 42 14 6  o 4.16321  0.070261  17.3388      0.585023 16.3834      0.80323  18.4182      0.853776 4.04612  0.0992593 4.29001  0.0995073 
1 1 1 42 14 7  o 2.14845  0.102228  4.61973      0.439263 4.541        0.575858 4.72929      0.679305 2.12938  0.135217  2.17253  0.15634   
1 1 1 42 14 8  o 10.5105  0.0891081 110.549      1.87315  111.846      2.64408  109.242      2.65401  10.5684  0.125094  10.4444  0.127054  
1 1 1 42 14 9  o 8.96592  0.082768  80.4416      1.48418  80.2234      2.12047  80.6512      2.07807  8.95064  0.118454  8.97475  0.115773  
1 1 1 42 14 10 o 7.5258   0.0729401 56.6695      1.09787  56.1734      1.58794  57.1238      1.51955  7.49047  0.105997  7.55402  0.100579  
1 1 1 42 14 11 o 5.17166  0.0704093 26.7608      0.728266 26.283       1.03389  27.2314      1.026    5.12378  0.100891  5.21555  0.0983599 
1 1 1 42 14 12 o 3.70122  0.0847357 13.7109      0.62725  12.9064      0.875891 14.5578      0.89868  3.58931  0.122014  3.81226  0.117867  
1 1 1 42 14 13 o 7.55741  0.0795196 57.1629      1.20193  56.8003      1.64423  57.579       1.76137  7.53058  0.10917   7.58123  0.116166  
1 1 1 42 14 14 o 3.36861  0.0993857 11.3637      0.669583 11.3829      0.915161 11.3416      0.982263 3.36934  0.135807  3.36252  0.146061  
1 1 1 42 14 15 o 5.06064  0.0794458 25.6355      0.804093 27.9171      1.17941  23.6539      1.09915  5.27842  0.11172   4.85858  0.113114  
1 1 1 42 14 16 o 2.17871  0.136457  4.76236      0.594601 5.13708      0.839097 4.38442      0.8427   2.25962  0.185673  2.08637  0.201954  
1 1 1 42 14 17 o 3.13529  0.10804   9.85245      0.677475 9.75354      0.924384 9.96722      0.995785 3.11639  0.14831   3.14943  0.15809   
1 1 1 42 14 18 o 2.27194  0.132228  5.18061      0.600829 4.78891      0.805407 5.67213      0.902209 2.18064  0.184672  2.37272  0.190121  
1 1 1 42 14 19 o 3.14968  0.107603  9.94731      0.677833 9.72843      0.953737 10.1707      0.963538 3.11054  0.153307  3.18067  0.151468  
1 1 1 42 14 20 f 2.19899  0.146683  4.8635       0.645107 5.2159       0.880891 4.4559       0.94737  2.27249  0.193816  2.09669  0.22592   
1 1 1 42 14 21 o 2.30159  0.136904  5.32675      0.630192 4.79927      0.851198 5.9666       0.937489 2.17851  0.195363  2.42937  0.192949  
1 1 1 42 14 22 f 1.14325  0.289019  1.3943       0.661565 1.31627      0.90491  1.4839       0.969626 1.12781  0.357874  1.18942  0.369267  
1 1 1 42 14 23 o 1.9556   0.179598  3.86874      0.702444 5.42126      0.999768 2.35511      0.987165 2.30884  0.216509  1.47622  0.340974  
1 1 1 42 14 24 o 3.18947  0.11989   10.2291      0.764771 11.1962      1.07116  9.22355      1.09225  3.32947  0.160861  3.01799  0.180956  
1 1 1 42 14 25 f 3.75288  0.115619  14.1632      0.86781  14.5514      1.18468  13.7138      1.27481  3.79507  0.156081  3.67987  0.173214  
1 1 1 42 14 26 o 1.74563  0.204247  3.11153      0.713079 2.4106       0.977766 3.90789      1.04221  1.48362  0.337095  1.94181  0.268359  
1 1 1 42 14 27 o 2.08848  0.184768  4.44736      0.771771 4.52789      1.055    4.35464      1.13195  2.08983  0.252414  2.04202  0.277164  
1 1 1 42 14 28 o 2.73473  0.155548  7.59188      0.850763 6.87367      1.16007  8.42768      1.25144  2.58088  0.224743  2.8601   0.218775  
1 1 1 42 14 29 o 0.979091 0.341566  0.971412     0.823966 1.77755      1.17404  0.188945     1.15668  1.25822  0.408484  0.873979 0.373331  
1 1 1 42 14 30 o 1.26797  0.322405  1.79929      0.819688 2.61818      1.14911  0.950946     1.16959  1.50833  0.380666  1.0351   0.398815  
1 1 1 42 14 31 o 2.62149  0.180512  7.06956      0.946422 6.82919      1.33882  7.30964      1.33806  2.5365   0.263911  2.62959  0.254424  
1 1 1 42 14 32 o 1.17803  0.343563  1.61478      0.85902  3.17178      1.19029  -0.0776521   1.24097  1.63524  0.372196  0.831346 0.369655  
1 1 1 42 14 33 o 1.58458  0.283691  2.82459      0.866544 3.97599      1.18844  1.51754      1.26621  1.85039  0.333291  1.1409   0.420839  
1 1 1 42 14 34 o 1.10846  0.35315   1.49754      0.880528 2.09358      1.21132  0.829694     1.28221  1.26683  0.414926  0.969429 0.402421  
1 1 1 42 14 35 o 1.11119  0.352415  1.57016      0.877599 0.713151     1.29195  2.3044       1.19584  0.923829 0.39459   1.29448  0.411464  
1 1 1 42 14 36 o 1.67996  0.277026  3.31693      0.930787 3.85896      1.31251  2.76854      1.32018  1.66245  0.39919   1.34958  0.432667  
1 1 1 42 14 37 o 0.812037 0.344923  0.65712      0.977543 1.08016      1.38065  0.231863     1.38426  0.927721 0.402297  0.807776 0.371417  
1 1 1 42 14 38 o 0.750109 0.33429   0.527679     1.02005  -0.894689    1.51247  1.71446      1.38155  0.677552 0.331715  0.96065  0.409107  
1 1 1 42 14 39 o 0.862576 0.372902  1.25812      1.1794   -0.916356    1.56076  4.15253      1.80069  0.666214 0.32811   1.24294  0.491009  
1 1 1 42 15 0  f 33.0484  0.326197  1096.63      21.5559  1096.63      21.5559  1096.63      21.5559  33.0815  0.2304    ?        ?         
1 1 1 42 15 1  o 7.07882  0.0712803 50.1278      1.00916  49.3157      1.4219   50.952       1.43249  7.01992  0.101276  7.13548  0.100378  
1 1 1 42 15 2  o 14.1898  0.107415  201.518      3.0484   201.368      4.32328  201.667      4.29899  14.1784  0.15246   14.189   0.15149   
1 1 1 42 15 3  o 3.8317   0.0750116 14.688       0.574843 14.5759      0.801011 14.8071      0.825441 3.81626  0.104947  3.84635  0.107302  
1 1 1 42 15 4  o 4.59953  0.0698762 21.1636      0.642796 21.8839      0.935196 20.5185      0.884982 4.67622  0.0999948 4.52806  0.0977219 
1 1 1 42 15 5  o 4.49303  0.0692594 20.1951      0.62237  19.3936      0.849878 21.1219      0.913937 4.40216  0.0965296 4.59403  0.0994701 
1 1 1 42 15 6  o 5.6898   0.0657483 32.3857      0.748189 31.4303      1.03344  33.438       1.08461  5.60424  0.0922016 5.78039  0.0938184 
1 1 1 42 15 7  f 5.2579   0.0749568 27.6598      0.788231 28.7931      1.09198  26.4269      1.13895  5.36337  0.1018    5.13782  0.11084   
1 1 1 42 15 8  o 9.26639  0.0887504 85.9343      1.64479  85.4225      2.30546  86.4648      2.34728  9.23522  0.124819  9.29122  0.126317  
1 1 1 42 15 9  o 7.34841  0.0787439 54.0348      1.15728  55.2437      1.72393  53.0431      1.56141  7.42731  0.116054  7.27863  0.10726   
1 1 1 42 15 10 o 5.50269  0.0745311 30.2984      0.820244 31.1996      1.1622   29.4041      1.15782  5.58227  0.104097  5.41909  0.106828  
1 1 1 42 15 11 o 4.41428  0.0721859 19.4981      0.637298 19.0857      0.913321 19.8895      0.889695 4.36583  0.104599  4.45709  0.0998068 
1 1 1 42 15 12 o 6.20513  0.0714571 38.5296      0.886801 37.7259      1.27658  39.2792      1.23282  6.13775  0.103994  6.2633   0.0984161 
1 1 1 42 15 13 o 8.75534  0.0845693 76.7341      1.48087  77.3777      2.12217  76.1233      2.06742  8.78728  0.120752  8.71608  0.118598  
1 1 1 42 15 14 o 5.51948  0.0831709 30.4971      0.918121 29.8769      1.25583  31.2093      1.34566  5.46036  0.114995  5.58022  0.120574  
1 1 1 42 15 15 o 3.79039  0.0887579 14.3864      0.672855 13.5588      0.926968 15.3081      0.978219 3.6772   0.126043  3.90729  0.125179  
1 1 1 42 15 16 o 4.48305  0.0841536 20.1246      0.754531 18.7372      1.06666  21.5141      1.06748  4.32245  0.123386  4.63253  0.115215  
1 1 1 42 15 17 o 8.78265  0.0884929 77.2584      1.5544   78.5086      2.16723  75.9339      2.23066  8.84703  0.122484  8.69949  0.128206  
1 1 1 42 15 18 o 2.03646  0.147106  4.16715      0.599152 4.78299      0.820764 3.46458      0.876652 2.17847  0.188381  1.84988  0.236948  
1 1 1 42 15 19 o 3.31324  0.103187  11.007       0.68377  11.5095      0.955357 10.4792      0.979071 3.38411  0.141153  3.22786  0.151659  
1 1 1 42 15 20 o 4.7771   0.089068  22.8721      0.850972 23.0824      1.1912   22.6529      1.2161   4.79399  0.124238  4.74854  0.12805   
1 1 1 42 15 21 o 2.14016  0.151495  4.61302      0.648445 3.77105      0.857064 5.74025      0.991673 1.92705  0.222377  2.37976  0.208356  
1 1 1 42 15 22 o 1.8589   0.189134  3.49903      0.70316  2.58145      0.995086 4.41415      0.993752 1.54909  0.330886  2.08005  0.238877  
1 1 1 42 15 23 o 5.29414  0.0906578 28.1105      0.959909 27.8481      1.30049  28.4246      1.42277  5.26258  0.12356   5.31424  0.133864  
1 1 1 42 15 24 o 1.99861  0.178717  4.04526      0.714372 3.81658      0.992758 4.29081      1.02875  1.9282   0.257431  2.0457   0.251443  
1 1 1 42 15 25 o 2.7189   0.146094  7.4682       0.794429 7.64289      1.08043  7.26258      1.17215  2.73923  0.197214  2.66428  0.219976  
1 1 1 42 15 26 o 1.74461  0.207507  3.11321      0.724037 2.60228      1.00822  3.65729      1.04042  1.5403   0.336561  1.87437  0.27754   
1 1 1 42 15 27 o 1.75891  0.215567  3.17869      0.758327 3.93573      1.03874  2.31478      1.10964  1.94327  0.267267  1.43503  0.380397  
1 1 1 42 15 28 o 0.871716 0.326149  0.65819      0.765913 0.75111      1.07391  0.561997     1.09266  0.974707 0.380782  0.93574  0.377735  
1 1 1 42 15 29 o 1.08221  0.335272  1.28496      0.799882 1.94185      1.11602  0.591072     1.14702  1.30383  0.394448  0.950081 0.385576  
1 1 1 42 15 30 o 2.29108  0.190988  5.40413      0.875135 5.67388      1.22773  5.12551      1.24777  2.31708  0.264931  2.19327  0.284454  
1 1 1 42 15 31 o 1.86358  0.233356  3.64953      0.869758 2.77549      1.21465  4.56925      1.24599  1.53032  0.394466  2.05111  0.303737  
1 1 1 42 15 32 o 2.85337  0.173798  8.42935      0.991817 7.58913      1.32863  9.4869       1.49058  2.65949  0.24979   2.97273  0.250709  
1 1 1 42 15 33 o 1.55044  0.283824  2.71791      0.847337 2.73755      1.15991  2.69543      1.24081  1.48614  0.38662   1.45819  0.409002  
1 1 1 42 15 34 o 0.638834 0.293202  -0.356076    0.858291 -0.673063    1.18803  -0.0100024   1.24134  0.707519 0.331736  0.810432 0.364717  
1 1 1 42 15 35 o 0.708822 0.312585  0.0877287    0.863482 -0.666902    1.25827  0.759438     1.18713  0.717067 0.33736   0.912203 0.383414  
1 1 1 42 15 36 o 0.899131 0.357131  0.982305     0.957399 0.90567      1.3779   1.05384      1.33124  0.920578 0.400587  0.941428 0.401276  
1 1 1 42 15 37 o 0.59969  0.28636   -0.631574    0.954241 -0.227386    1.357    -1.02695     1.34212  0.744091 0.350154  0.664966 0.322445  
1 1 1 42 15 38 o 0.58447  0.282828  -0.685453    1.01821  -1.63679     1.4421   0.260269     1.43784  0.608001 0.302431  0.753981 0.356669  
1 1 1 42 15 39 o 0.640732 0.306376  -0.135507    1.10183  -0.376413    1.55921  0.104797     1.55725  0.682377 0.334846  0.716873 0.347525  
1 1 1 42 16 0  o 1.02217  0.403094  1.44578      0.78845  1.44578      0.78845  1.44578      0.78845  1.10131  0.293614  ?        ?         
1 1 1 42 16 1  o 10.4229  0.0863106 108.701      1.79922  108.53       2.64642  108.849      2.45347  10.411   0.127097  10.4273  0.117647  
1 1 1 42 16 2  o 8.86263  0.0772323 78.584       1.36896  78.4214      1.96586  78.737       1.90747  8.85116  0.111051  8.86922  0.107533  
1 1 1 42 16 3  o 9.57155  0.0778158 91.6604      1.48963  90.7483      2.10338  92.5782      2.10996  9.52135  0.110456  9.61693  0.1097    
1 1 1 42 16 4  o 3.17096  0.080251  10.0606      0.508945 10.3567      0.724608 9.77227      0.715003 3.21641  0.112642  3.12429  0.114426  
1 1 1 42 16 5  o 1.55697  0.13307   2.42806      0.414373 1.94835      0.549423 3.06089      0.631044 1.39337  0.197156  1.74695  0.180613  
1 1 1 42 16 6  o 2.31583  0.127624  5.37159      0.591113 5.28295      0.846176 5.45607      0.826104 2.29469  0.184377  2.33228  0.177103  
1 1 1 42 16 7  o 2.16947  0.139302  4.71609      0.604424 5.56811      0.87255  3.9301       0.838061 2.35552  0.185214  1.97788  0.211859  
1 1 1 42 16 8  o 3.87847  0.0913813 15.0561      0.708838 14.4081      0.992732 15.73        1.01246  3.79231  0.130888  3.96262  0.127751  
1 1 1 42 16 9  o 7.26323  0.078506  52.7913      1.14042  54.2153      1.63681  51.4479      1.58979  7.35795  0.111228  7.16773  0.110899  
1 1 1 42 16 10 o 9.52274  0.0854113 90.7626      1.6267   90.5089      2.37673  90.9861      2.23116  9.50461  0.125031  9.53075  0.117051  
1 1 1 42 16 11 o 1.97258  0.159478  3.90414      0.629168 2.74416      0.921801 4.91585      0.860877 1.62253  0.294953  2.21165  0.194623  
1 1 1 42 16 12 o 1.96605  0.120794  3.87333      0.474975 4.15445      0.738433 3.67495      0.62033  2.03348  0.181569  1.91344  0.162098  
1 1 1 42 16 13 o 7.19861  0.0759596 51.8653      1.09361  51.5201      1.59693  52.1701      1.50074  7.17095  0.111347  7.21691  0.103974  
1 1 1 42 16 14 f 4.65312  0.0801864 21.6747      0.746234 21.9644      1.04597  21.3744      1.06495  4.68171  0.111708  4.61809  0.115302  
1 1 1 42 16 15 o 5.76698  0.0777892 33.295       0.897218 33.1201      1.24732  33.4826      1.29155  5.74878  0.108485  5.77978  0.111731  
1 1 1 42 16 16 o 1.45362  0.202244  2.13031      0.58797  2.85472      0.844864 1.44994      0.818779 1.67902  0.251594  1.17533  0.33308   
1 1 1 42 16 17 o 1.12976  0.256827  1.34498      0.567318 2.19605      0.790665 0.441868     0.814481 1.44583  0.283538  0.843666 0.331193  
1 1 1 42 16 18 o 3.53398  0.0993228 12.5184      0.702009 11.7394      0.95855  13.4196      1.03098  3.41827  0.14021   3.65461  0.141053  
1 1 1 42 16 19 o 3.71423  0.0978012 13.8317      0.726512 15.0597      1.01407  12.5366      1.04136  3.87168  0.13096   3.5303   0.147489  
1 1 1 42 16 20 o 0.911622 0.298101  0.825665     0.625234 1.1149       0.843955 0.473807     0.930847 1.05471  0.346339  0.88816  0.352342  
1 1 1 42 16 21 o 6.04018  0.0887771 36.5786      1.07246  35.6881      1.43283  37.7131      1.61724  5.95958  0.120212  6.12329  0.132056  
1 1 1 42 16 22 o 2.9105   0.129805  8.52234      0.755597 8.47886      1.02966  8.57307      1.11227  2.89531  0.177814  2.90878  0.191192  
1 1 1 42 16 23 o 3.52492  0.108936  12.4815      0.767981 14.038       1.10557  11.0299      1.06761  3.73105  0.148158  3.30463  0.161532  
1 1 1 42 16 24 o 3.65028  0.114166  13.3956      0.833474 12.9244      1.13772  13.9415      1.22447  3.57637  0.159061  3.71299  0.16489   
1 1 1 42 16 25 o 1.51174  0.238567  2.3508       0.721301 1.99997      0.966066 2.79274      1.08429  1.34773  0.353876  1.59494  0.349478  
1 1 1 42 16 26 o 1.0491   0.317545  1.18028      0.723154 0.74645      1.00855  1.63934      1.03745  0.963107 0.370494  1.22454  0.382325  
1 1 1 42 16 27 o 1.66207  0.229742  2.85194      0.763695 2.65208      1.04288  3.08304      1.12145  1.54527  0.346102  1.66815  0.347573  
1 1 1 42 16 28 o 1.7928   0.218882  3.32188      0.784822 2.5825       1.10596  4.07191      1.1139   1.50889  0.369034  1.96343  0.283661  
1 1 1 42 16 29 o 1.77814  0.226051  3.28466      0.803904 3.58342      1.1069   2.95117      1.16946  1.83035  0.302374  1.60838  0.370875  
1 1 1 42 16 30 o 1.39295  0.310137  2.17308      0.841514 3.33397      1.19499  1.03106      1.18523  1.70579  0.361318  1.04853  0.402102  
1 1 1 42 16 31 o 2.69969  0.166476  7.49635      0.898865 9.91189      1.3026   5.30052      1.24194  3.07854  0.211561  2.21485  0.280367  
1 1 1 42 16 32 o 1.55824  0.306594  2.7729       0.92145  3.11038      1.22082  2.32611      1.4047   1.59732  0.385905  1.34908  0.44682   
1 1 1 42 16 33 o 1.07513  0.346992  1.37442      0.848081 1.74041      1.14165  0.92378      1.26683  1.18203  0.402817  0.993743 0.404565  
1 1 1 42 16 34 o 1.0273   0.356735  1.29654      0.897899 2.16363      1.24714  0.363354     1.29379  1.25571  0.421016  0.871519 0.383625  
1 1 1 42 16 35 o 0.682003 0.303701  0.00511393   0.840441 0.869349     1.17362  -0.904575    1.20409  0.924454 0.384455  0.671943 0.321055  
1 1 1 42 16 36 o 0.5639   0.272936  -0.993059    0.950253 -1.17243     1.37133  -0.827379    1.31798  0.668339 0.32466   0.685844 0.329656  
1 1 1 42 16 37 o 0.962927 0.371528  1.41183      1.01576  1.11695      1.48687  1.66988      1.39094  0.906647 0.403838  0.995396 0.416535  
1 1 1 42 16 38 o 0.766636 0.338879  0.710735     1.02302  0.50276      1.47255  0.904756     1.4223   0.773949 0.364365  0.816088 0.375762  
1 1 1 42 16 39 o 0.659316 0.313293  0.237348     1.12056  0.395973     1.583    0.0780375    1.58642  0.704007 0.343505  0.682406 0.335788  
1 1 1 42 17 0  o 4.32789  0.108828  18.7761      0.940644 18.7761      0.940644 18.7761      0.940644 4.33052  0.0768509 ?        ?         
1 1 1 42 17 1  o 0.558987 0.244594  -0.119437    0.519559 -0.0868054   0.737368 -0.151613    0.732194 0.683062 0.29507   0.666358 0.290979  
1 1 1 42 17 2  o 12.0972  0.0929456 146.458      2.24876  148.739      3.23378  144.322      3.12924  12.186   0.132684  12.004   0.130341  
1 1 1 42 17 3  o 3.71622  0.0767292 13.818       0.570285 13.8785      0.813647 13.7596      0.799548 3.72327  0.109265  3.70735  0.107833  
1 1 1 42 17 4  o 3.76043  0.0710085 14.1479      0.534044 13.4817      0.730242 14.9139      0.783023 3.66995  0.0994893 3.85989  0.101431  
1 1 1 42 17 5  o 3.55808  0.0750181 12.6673      0.533841 11.5758      0.738922 13.8591      0.772101 3.40027  0.108657  3.72072  0.103757  
1 1 1 42 17 6  o 11.8829  0.0983898 141.349      2.33831  140.615      3.313    142.077      3.30078  11.8458  0.139838  11.9075  0.138601  
1 1 1 42 17 7  o 11.1025  0.0956757 123.39       2.12448  120.902      2.95859  126.039      3.05255  10.9846  0.13467   11.2152  0.136089  
1 1 1 42 17 8  o 2.91346  0.111885  8.50045      0.651945 8.79578      0.913693 8.19415      0.930516 2.9617   0.154251  2.85818  0.162781  
1 1 1 42 17 9  o 2.35988  0.127857  5.58022      0.603456 5.47693      0.877552 5.67289      0.831167 2.33521  0.187896  2.37731  0.174813  
1 1 1 42 17 10 o 6.26077  0.0803446 39.2309      1.00604  38.6325      1.38916  39.891       1.4589   6.21033  0.111843  6.31032  0.115597  
1 1 1 42 17 11 o 4.34077  0.084841  18.8615      0.73655  19.2189      1.05379  18.5201      1.0299   4.37943  0.120311  4.29911  0.11978   
1 1 1 42 17 12 o 4.82102  0.0811999 23.2653      0.782933 23.3795      1.12701  23.1589      1.08847  4.83023  0.116662  4.80768  0.113201  
1 1 1 42 17 13 o 4.76376  0.0747393 22.7142      0.71208  22.3999      1.06793  22.9658      0.955492 4.72786  0.11294   4.78832  0.0997732 
1 1 1 42 17 14 o 2.79725  0.0979556 7.83815      0.548013 6.78571      0.758014 8.99055      0.793197 2.59994  0.145775  2.99367  0.132479  
1 1 1 42 17 15 o 5.11397  0.0786328 26.1846      0.804251 25.8096      1.15202  26.541       1.12329  5.07389  0.113524  5.14577  0.109147  
1 1 1 42 17 16 o 3.32475  0.0963938 11.0754      0.64097  10.4489      0.912478 11.6857      0.900576 3.22578  0.141435  3.41226  0.131962  
1 1 1 42 17 17 o 3.11512  0.101104  9.7268       0.629905 10.6581      0.89595  8.81652      0.885778 3.25762  0.137516  2.96168  0.14954   
1 1 1 42 17 18 o 5.9928   0.0810984 35.9751      0.972013 34.8942      1.32128  37.25        1.43502  5.89758  0.112019  6.09236  0.117772  
1 1 1 42 17 19 o 1.11172  0.281067  1.31269      0.625631 1.41232      0.813634 1.16856      0.978575 1.15623  0.333451  1.09531  0.37294   
1 1 1 42 17 20 o 1.85142  0.171357  3.45941      0.634504 2.83822      0.849019 4.24526      0.95494  1.66764  0.254556  2.04277  0.233736  
1 1 1 42 17 21 o 3.16632  0.116985  10.0743      0.740822 10.6662      1.06823  9.52587      1.02827  3.25027  0.16433   3.07106  0.167413  
1 1 1 42 17 22 o 4.26177  0.0996039 18.2274      0.848977 17.8472      1.19864  18.6102      1.20264  4.20913  0.142386  4.2987   0.139884  
1 1 1 42 17 23 o 0.574366 0.262111  -0.426705    0.67499  0.673299     0.943073 -1.58208     0.966519 0.937441 0.358917  0.563314 0.273303  
1 1 1 42 17 24 o 3.87437  0.110135  15.0963      0.853408 15.4879      1.15967  14.6337      1.26042  3.91539  0.148091  3.801    0.165801  
1 1 1 42 17 25 o 2.06569  0.177813  4.33743      0.734614 4.44704      1.02458  4.22148      1.05384  2.07601  0.246767  2.01899  0.260982  
1 1 1 42 17 26 o 1.18108  0.301854  1.52389      0.715777 1.47749      0.995586 1.57354      1.0298   1.17023  0.375786  1.20242  0.381795  
1 1 1 42 17 27 o 1.60637  0.241681  2.67733      0.77646  3.61447      1.07984  1.67411      1.11727  1.85085  0.291715  1.23292  0.398309  
1 1 1 42 17 28 o 1.62537  0.243877  2.75896      0.792782 3.13352      1.11768  2.37969      1.12468  1.67221  0.345915  1.43945  0.383606  
1 1 1 42 17 29 o 1.9785   0.205459  4.04184      0.812999 4.36229      1.11516  3.67828      1.18779  2.03034  0.274623  1.81598  0.339625  
1 1 1 42 17 30 f 1.86924  0.224123  3.64919      0.837882 3.41257      1.18095  3.88904      1.18898  1.73001  0.353527  1.89098  0.314382  
1 1 1 42 17 31 o 0.975794 0.344463  1.02087      0.840152 0.575449     1.13295  1.56507      1.2523   0.918455 0.379582  1.16568  0.419634  
1 1 1 42 17 32 o 0.678361 0.305528  -0.21748     0.872873 0.125921     1.24131  -0.553368    1.22766  0.85404  0.375848  0.751775 0.347278  
1 1 1 42 17 33 o 1.32439  0.334505  2.12287      0.886799 1.3597       1.16427  3.17746      1.36861  1.07217  0.401925  1.54683  0.428144  
1 1 1 42 17 34 o 0.664087 0.301465  -0.177346    0.867565 0.501952     1.21754  -0.877997    1.23653  0.874372 0.378455  0.690788 0.328654  
1 1 1 42 17 35 o 0.853242 0.350964  0.734751     0.96326  1.5436       1.38156  -0.0304136   1.34374  1.0535   0.424964  0.796387 0.366079  
1 1 1 42 17 36 o 1.78087  0.267602  3.79589      0.953128 2.87623      1.38054  4.6335       1.31752  1.30692  0.442962  1.82344  0.374137  
1 1 1 42 17 37 o 1.79738  0.288444  4.20599      1.03689  2.67757      1.51683  5.54672      1.42065  1.12394  0.448546  1.89896  0.387474  
1 1 1 42 17 38 o 0.632616 0.302059  -0.312082    1.06122  -2.01833     1.49963  1.39946      1.50195  0.59563  0.297815  0.884548 0.399453  
1 1 1 42 18 0  o 0.940949 0.395214  1.25888      0.743546 1.25888      0.743546 1.25888      0.743546 1.00992  0.299637  ?        ?         
1 1 1 42 18 1  o 6.75567  0.0695326 45.6619      0.939478 45.0381      1.31634  46.3096      1.34125  6.70773  0.0981213 6.80172  0.0985967 
1 1 1 42 18 2  o 10.2133  0.0855808 104.392      1.74813  102.836      2.46006  105.979      2.48458  10.1331  0.121388  10.2868  0.120765  
1 1 1 42 18 3  o 8.00738  0.0750824 64.1564      1.20243  63.675       1.7536   64.5836      1.65193  7.97459  0.109949  8.03193  0.102835  
1 1 1 42 18 4  o 1.04705  0.198328  1.13703      0.400233 0.930399     0.53831  1.39244      0.59849  0.949106 0.270427  1.15298  0.264945  
1 1 1 42 18 5  o 7.00954  0.0770138 49.1658      1.07966  48.8243      1.52869  49.5057      1.52507  6.98283  0.10946   7.03147  0.108446  
1 1 1 42 18 6  o 5.68388  0.0770022 32.3282      0.875342 32.464       1.26079  32.2019      1.21625  5.69374  0.110717  5.67096  0.107235  
1 1 1 42 18 7  o 1.95614  0.159972  3.83812      0.625853 3.55553      0.864459 4.14941      0.907274 1.87969  0.229947  2.03097  0.22336   
1 1 1 42 18 8  o 6.58716  0.0753943 43.4219      0.993269 43.1591      1.40538  43.6843      1.40401  6.56479  0.107039  6.60468  0.106289  
1 1 1 42 18 9  o 6.29658  0.0767554 39.6786      0.966592 39.1035      1.37431  40.2417      1.35974  6.24815  0.109977  6.33868  0.107258  
1 1 1 42 18 10 o 1.48222  0.19751   2.20922      0.58551  2.74552      0.85279  1.73097      0.805319 1.64907  0.258567  1.28128  0.315859  
1 1 1 42 18 11 o 3.33933  0.0963115 11.1667      0.643232 10.538       0.914464 11.7825      0.904946 3.24131  0.141064  3.42801  0.131993  
1 1 1 42 18 12 o 4.14351  0.0865982 17.1897      0.71764  16.9187      1.01598  17.4596      1.01382  4.10806  0.123657  4.17339  0.121463  
1 1 1 42 18 13 o 8.46222  0.0852469 71.7021      1.44276  72.0582      1.97948  71.2985      2.10724  8.47835  0.116737  8.43204  0.124954  
1 1 1 42 18 14 o 1.6753   0.161529  2.82084      0.541217 2.88675      0.831486 2.77238      0.712915 1.68916  0.246125  1.65764  0.21504   
1 1 1 42 18 15 o 6.1172   0.0804254 37.4701      0.983957 38.4124      1.45827  36.6826      1.33318  6.18897  0.117812  6.04908  0.110197  
1 1 1 42 18 16 o 3.77986  0.0860114 14.3109      0.650221 14.4055      0.920706 14.2169      0.918402 3.78924  0.121489  3.7643   0.121988  
1 1 1 42 18 17 f 5.70425  0.0807964 32.5914      0.921766 33.3404      1.29096  31.8125      1.31656  5.76513  0.111963  5.6307   0.116909  
1 1 1 42 18 18 o 4.34381  0.0885776 18.9101      0.769528 18.9672      1.03441  18.8394      1.15154  4.3466   0.118991  4.32982  0.132978  
1 1 1 42 18 19 o 3.25498  0.112576  10.6357      0.732863 10.9395      1.01742  10.3081      1.05654  3.29558  0.154361  3.1974   0.165219  
1 1 1 42 18 20 o 2.52686  0.135505  6.42439      0.684806 5.38336      0.957694 7.51359      0.9796   2.30336  0.207891  2.72619  0.179665  
1 1 1 42 18 21 o 1.09627  0.302874  1.28039      0.685665 1.07357      0.975709 1.48218      0.963755 1.06047  0.371524  1.18612  0.368128  
1 1 1 42 18 22 o 1.77659  0.186859  3.19866      0.663944 3.34233      0.907961 3.03355      0.973364 1.80633  0.251327  1.71528  0.283733  
1 1 1 42 18 23 o 2.18664  0.167565  4.83627      0.732808 5.11472      0.98807  4.49586      1.09247  2.23915  0.220635  2.09105  0.261226  
1 1 1 42 18 24 o 3.12488  0.125155  9.84167      0.782188 10.3379      1.06519  9.26098      1.1523   3.19311  0.166795  3.01577  0.191045  
1 1 1 42 18 25 o 0.636097 0.282767  -0.217486    0.725735 -0.222258    0.979793 -0.211685    1.08023  0.745565 0.330337  0.785964 0.347721  
1 1 1 42 18 26 o 1.28365  0.291173  1.79512      0.730503 2.03517      1.00579  1.52711      1.06273  1.34895  0.364256  1.18878  0.388645  
1 1 1 42 18 27 o 0.807059 0.320814  0.433242     0.773144 0.696529     1.05781  0.13129      1.13282  0.956236 0.376783  0.858439 0.368165  
1 1 1 42 18 28 o 1.484    0.272651  2.38774      0.778978 3.67672      1.09532  1.06854      1.10808  1.85738  0.294855  1.05454  0.39274   
1 1 1 42 18 29 o 1.3324   0.303804  1.97915      0.7919   1.99797      1.08663  1.95783      1.15646  1.31362  0.387469  1.29888  0.403283  
1 1 1 42 18 30 o 2.22247  0.188605  5.10969      0.838339 4.07653      1.15208  6.27245      1.22221  1.93804  0.297228  2.43141  0.251337  
1 1 1 42 18 31 o 1.49322  0.302819  2.53748      0.872824 2.16911      1.1968   2.95601      1.27569  1.32418  0.410079  1.54494  0.407106  
1 1 1 42 18 32 o 1.36463  0.327789  2.19899      0.884743 3.28396      1.24566  1.09446      1.25685  1.62974  0.387347  1.03466  0.409745  
1 1 1 42 18 33 o 2.33399  0.202416  5.81265      0.944874 5.17785      1.24668  6.66948      1.4484   2.1299   0.292662  2.4091   0.300609  
1 1 1 42 18 34 f 0.599542 0.280316  -0.490608    0.83127  -0.458001    1.13314  -0.528606    1.22321  0.706374 0.329104  0.723101 0.338605  
1 1 1 42 18 35 o 0.995478 0.358495  1.33421      0.914041 2.17782      1.32724  0.573165     1.26063  1.17679  0.431178  0.855151 0.377328  
1 1 1 42 18 36 o 1.18487  0.367861  2.0544       0.96225  4.70953      1.42282  -0.183642    1.30629  1.77473  0.408979  0.740039 0.34714   
1 1 1 42 18 37 o 0.499089 0.248024  -1.50215     0.958632 -0.901773    1.40062  -2.03126     1.31486  0.651061 0.318855  0.559249 0.279625  
1 1 1 42 18 38 o 0.904465 0.37085   1.49476      1.07211  -1.06028     1.53189  3.94769      1.50097  0.643885 0.318813  1.31403  0.460757  
1 1 1 42 19 0  o 1.63169  0.259552  2.86609      0.782603 2.86609      0.782603 2.86609      0.782603 1.66613  0.170134  ?        ?         
1 1 1 42 19 1  o 8.73773  0.076983  76.3979      1.34531  76.5527      1.92464  76.25        1.88122  8.7436   0.11006   8.72654  0.107787  
1 1 1 42 19 2  o 2.02619  0.124001  4.11245      0.502498 4.01367      0.68591  4.22687      0.738252 2.00015  0.171465  2.05224  0.179865  
1 1 1 42 19 3  f 6.89847  0.071627  47.6164      0.988233 47.319       1.43595  47.8839      1.36212  6.87465  0.104438  6.91603  0.0984756 
1 1 1 42 19 4  o 7.21626  0.070962  52.1045      1.02416  52.4832      1.41151  51.6835      1.4883   7.24056  0.0974723 7.18468  0.103575  
1 1 1 42 19 5  o 8.87847  0.0820801 78.8904      1.45749  79.3539      2.11583  78.4719      2.0106   8.90057  0.118859  8.85161  0.113572  
1 1 1 42 19 6  o 5.49115  0.0773923 30.1752      0.849945 31.9848      1.24367  28.5893      1.16426  5.65124  0.110036  5.34294  0.108953  
1 1 1 42 19 7  o 6.23391  0.0757773 38.891       0.944778 38.7635      1.31811  39.0257      1.35488  6.22144  0.105933  6.24222  0.108525  
1 1 1 42 19 8  o 6.25766  0.0750839 39.1888      0.939699 40.2442      1.34608  38.1856      1.31243  6.33887  0.106177  6.17461  0.106276  
1 1 1 42 19 9  o 4.0716   0.0861162 16.5957      0.701261 15.7351      0.998473 17.4334      0.985129 3.96217  0.126001  4.1711   0.11809   
1 1 1 42 19 10 o 5.15479  0.0791331 26.5973      0.81583  25.8071      1.15883  27.3738      1.14875  5.07497  0.114171  5.22713  0.109884  
1 1 1 42 19 11 o 5.47339  0.0772797 29.9874      0.845964 29.9751      1.1956   29.9998      1.19715  5.46954  0.109296  5.47178  0.109393  
1 1 1 42 19 12 o 7.61804  0.0820878 58.1043      1.2507   56.9304      1.77828  59.2533      1.75938  7.53583  0.117988  7.68861  0.114414  
1 1 1 42 19 13 o 5.67884  0.0881419 32.2974      1.00109  31.957       1.43064  32.624       1.40131  5.64434  0.126733  5.70347  0.122847  
1 1 1 42 19 14 o 1.60999  0.140365  2.60251      0.451971 3.41974      0.830285 2.25836      0.538796 1.83975  0.225652  1.49786  0.179855  
1 1 1 42 19 15 o 6.99905  0.0769601 49.0502      1.07729  48.602       1.48891  49.5425      1.56067  6.96287  0.106918  7.02924  0.111013  
1 1 1 42 19 16 o 4.08004  0.0898858 16.6792      0.733476 16.8377      1.04665  16.5262      1.02818  4.09532  0.127787  4.05739  0.126704  
1 1 1 42 19 17 o 0.7672   0.288956  0.448968     0.603158 0.0955791    0.833628 0.837215     0.873775 0.761676 0.320775  0.97376  0.350526  
1 1 1 42 19 18 o 1.22304  0.268068  1.58555      0.637788 1.73416      0.892353 1.43036      0.911902 1.27309  0.342798  1.16935  0.357115  
1 1 1 42 19 19 o 5.12577  0.0863627 26.3365      0.88535  26.5395      1.28941  26.1554      1.21781  5.1385   0.125465  5.10241  0.119336  
1 1 1 42 19 20 o 2.06994  0.154384  4.32156      0.63913  4.80977      0.890881 3.80382      0.917436 2.17663  0.204647  1.93065  0.237598  
1 1 1 42 19 21 o 1.97223  0.171491  3.9314       0.676438 4.08404      1.00433  3.80466      0.915139 1.99782  0.251355  1.93072  0.236995  
1 1 1 42 19 22 o 2.51934  0.141212  6.39752      0.71152  7.20506      0.98214  5.50556      1.03221  2.66615  0.184187  2.32352  0.222122  
1 1 1 42 19 23 o 1.95179  0.184427  3.87075      0.719922 3.98709      0.951378 3.71487      1.10123  1.96988  0.241481  1.88996  0.291337  
1 1 1 42 19 24 o 3.93439  0.108457  15.5741      0.853421 17.8029      1.15856  12.9301      1.26189  4.19857  0.137971  3.56687  0.176891  
1 1 1 42 19 25 o 4.40966  0.104654  19.5693      0.922975 19.1797      1.23495  20.0624      1.38919  4.35395  0.14182   4.44753  0.156175  
1 1 1 42 19 26 f 2.66315  0.145863  7.1883       0.776908 7.20991      1.049    7.16204      1.15624  2.65207  0.19777   2.63584  0.219331  
1 1 1 42 19 27 o 0.958811 0.329072  0.941112     0.762135 0.769192     1.03871  1.14161      1.12172  0.965596 0.375049  1.07741  0.396231  
1 1 1 42 19 28 o 2.10461  0.191322  4.55371      0.805316 4.44542      1.10779  4.67508      1.17276  2.05179  0.269958  2.10025  0.279195  
1 1 1 42 19 29 f 0.889084 0.328117  0.744156     0.76991  -0.914626    1.05543  2.6308       1.12559  0.660761 0.310326  1.50402  0.375053  
1 1 1 42 19 30 o 1.80577  0.230833  3.44607      0.833661 3.84488      1.1154   2.94132      1.25483  1.87449  0.297521  1.55851  0.400469  
1 1 1 42 19 31 o 0.740653 0.315776  0.183957     0.82475  -0.55494     1.15029  0.965663     1.18314  0.727875 0.336207  1.00405  0.397574  
1 1 1 42 19 32 o 0.668923 0.302517  -0.219482    0.864531 0.59591      1.14737  -1.29048     1.31496  0.904375 0.37837   0.690238 0.331161  
1 1 1 42 19 33 o 1.4241   0.327713  2.48544      0.9146   2.68668      1.24807  2.25203      1.34414  1.40069  0.415806  1.26478  0.436732  
1 1 1 42 19 34 o 1.18372  0.345373  1.80949      0.867911 2.81377      1.17998  0.625785     1.28106  1.42952  0.398167  0.893557 0.3875    
1 1 1 42 19 35 o 1.39009  0.34311   2.608        0.949373 3.41862      1.39921  1.91644      1.29237  1.456    0.441904  1.10085  0.420544  
1 1 1 42 19 36 o 0.706648 0.320068  0.17605      0.971422 0.0969008    1.45529  0.239658     1.30462  0.781058 0.366385  0.776244 0.358359  
1 1 1 42 19 37 o 0.53642  0.262461  -0.942452    0.943119 -0.88992     1.35774  -0.991432    1.31103  0.636271 0.312299  0.619729 0.305046  
1 1 1 42 19 38 o 0.503791 0.251895  -1.52856     1.07006  -2.71109     1.50854  -0.330995    1.5181   0.531636 0.270627  0.653859 0.322204  
1 1 1 42 20 0  o 8.09319  0.112549  65.5871      1.82097  65.5871      1.82097  65.5871      1.82097  8.09588  0.0795403 ?        ?         
1 1 1 42 20 1  o 6.25351  0.0735871 39.1316      0.920355 39.7065      1.31815  38.5848      1.28562  6.29717  0.104662  6.20768  0.103551  
1 1 1 42 20 2  o 0.679339 0.259393  0.318613     0.49148  -0.120656    0.661362 0.860399     0.734493 0.636402 0.277234  0.95536  0.323099  
1 1 1 42 20 3  o 1.90237  0.117898  3.62521      0.448569 3.47964      0.619101 3.78608      0.650832 1.8622   0.166228  1.94241  0.167532  
1 1 1 42 20 4  o 6.74417  0.0737083 45.5152      0.994203 45.4351      1.37917  45.6018      1.43449  6.73606  0.102372  6.74806  0.106289  
1 1 1 42 20 5  o 2.87934  0.108186  8.3034       0.623011 7.94451      0.917064 8.611        0.849008 2.81367  0.162966  2.93039  0.144863  
1 1 1 42 20 6  o 7.53326  0.0771996 56.7964      1.16313  58.4195      1.64874  55.1883      1.64111  7.63715  0.107942  7.42265  0.110547  
1 1 1 42 20 7  o 1.13346  0.267597  1.34956      0.597626 0.731352     0.808474 2.0943       0.887365 0.930812 0.336964  1.40933  0.321766  
1 1 1 42 20 8  o 3.97221  0.0881292 15.7966      0.700135 16.0117      0.994386 15.5851      0.98595  3.99685  0.124396  3.9432   0.125019  
1 1 1 42 20 9  o 8.73412  0.0836638 76.3679      1.46146  75.9688      2.12193  76.7281      2.01578  8.70584  0.121868  8.75033  0.115183  
1 1 1 42 20 10 o 3.88825  0.0899103 15.1388      0.699186 14.9282      1.0212   15.3247      0.959296 3.85802  0.132348  3.90974  0.12268   
1 1 1 42 20 11 o 2.91579  0.10924   8.51999      0.637043 8.84584      0.939929 8.24315      0.866387 2.9675   0.15837   2.8652   0.151192  
1 1 1 42 20 12 o 6.93421  0.0817793 48.1451      1.13415  47.8741      1.5906   48.4253      1.6176   6.91032  0.115089  6.94979  0.116377  
1 1 1 42 20 13 o 3.17355  0.10308   10.0932      0.65426  9.51285      0.91702  10.6949      0.933732 3.07737  0.148994  3.26354  0.143055  
1 1 1 42 20 14 o 4.52365  0.0830972 20.4939      0.751805 20.3432      1.02671  20.6681      1.10391  4.50408  0.113975  4.53902  0.121602  
1 1 1 42 20 15 o 2.92752  0.0923591 8.58768      0.540767 8.81905      0.803427 8.39605      0.731187 2.96326  0.135565  2.89214  0.12641   
1 1 1 42 20 16 o 0.696405 0.272188  0.30538      0.548853 0.744772     0.765835 -0.158621    0.786989 0.917297 0.328364  0.686105 0.300617  
1 1 1 42 20 17 o 3.6429   0.0955604 13.3057      0.696233 13.7458      0.969702 12.8375      1.00025  3.69842  0.131097  3.57291  0.139977  
1 1 1 42 20 18 o 1.43078  0.214813  2.07665      0.6147   2.91445      0.898466 1.33938      0.842833 1.68848  0.266057  1.13063  0.342934  
1 1 1 42 20 19 o 2.13831  0.150317  4.60821      0.642846 4.78943      0.941122 4.4497       0.880178 2.1707   0.216779  2.0933   0.210237  
1 1 1 42 20 20 o 1.7605   0.208754  3.14774      0.735024 3.26789      1.12285  3.05764      0.972289 1.747    0.333319  1.72401  0.281985  
1 1 1 42 20 21 o 3.48481  0.109261  12.2007      0.76151  12.0218      1.11146  12.359       1.04545  3.44974  0.161093  3.50027  0.149338  
1 1 1 42 20 22 o 1.36398  0.270524  1.97881      0.711745 3.21977      1.02037  0.802807     0.993299 1.76345  0.28931   0.984562 0.370816  
1 1 1 42 20 23 o 1.95908  0.178782  3.89971      0.700497 4.25136      0.948794 3.47835      1.03859  2.03432  0.233197  1.82841  0.284015  
1 1 1 42 20 24 f 1.12246  0.31011   1.37088      0.718821 1.68469      0.987403 1.01706      1.04848  1.23802  0.370319  1.04446  0.383178  
1 1 1 42 20 25 o 1.40224  0.260138  2.10484      0.702195 2.55549      0.953287 1.57028      1.03825  1.52549  0.322412  1.2002   0.383588  
1 1 1 42 20 26 o 3.77376  0.114086  14.3661      0.861064 15.9228      1.1622   12.4719      1.28206  3.96169  0.14668   3.49209  0.183566  
1 1 1 42 20 27 o 0.63289  0.28594   -0.316751    0.770507 0.609863     1.0371   -1.45829     1.15111  0.925984 0.370398  0.64246  0.308627  
1 1 1 42 20 28 o 2.80191  0.148582  7.99253      0.832626 9.38497      1.14852  6.45005      1.20882  3.01918  0.190204  2.48022  0.243692  
1 1 1 42 20 29 o 2.46844  0.172316  6.261        0.850701 5.79804      1.15543  6.80906      1.25714  2.34274  0.246597  2.53822  0.247643  
1 1 1 42 20 30 o 0.923846 0.33682   0.873837     0.809033 1.88366      1.09615  -0.334499    1.19906  1.24855  0.393625  0.77766  0.353391  
1 1 1 42 20 31 o 1.1853   0.336359  1.66504      0.834433 1.07842      1.13047  2.36723      1.23682  1.0174   0.392069  1.36605  0.415644  
1 1 1 42 20 32 o 0.494416 0.243534  -1.51103     0.843406 -2.27546     1.14898  -0.617894    1.24195  0.550883 0.273456  0.733713 0.342886  
1 1 1 42 20 33 o 0.861092 0.339153  0.755083     0.856742 0.0652079    1.1483   1.62129      1.28671  0.786368 0.352448  1.10776  0.420658  
1 1 1 42 20 34 o 1.13322  0.3541    1.72431      0.889689 2.0042       1.273    1.45706      1.24392  1.15893  0.422505  1.03227  0.408002  
1 1 1 42 20 35 o 0.935886 0.353794  1.18695      0.906775 0.709046     1.28437  1.6619       1.28039  0.861576 0.380423  1.03685  0.412634  
1 1 1 42 20 36 f 0.695403 0.315834  0.239361     0.95477  0.481583     1.41183  0.035229     1.29608  0.792217 0.368423  0.727438 0.342284  
1 1 1 42 20 37 o 0.981256 0.367655  1.64047      0.973948 2.04066      1.33507  1.1852       1.42397  1.0045   0.413182  0.858981 0.388371  
1 1 1 42 21 0  o 6.35667  0.102202  40.4664      1.29857  40.4664      1.29857  40.4664      1.29857  6.35899  0.0722203 ?        ?         
1 1 1 42 21 1  o 1.69579  0.150955  2.8844       0.511974 2.22594      0.71529  3.57609      0.73312  1.48625  0.240636  1.88633  0.194325  
1 1 1 42 21 2  o 2.71428  0.0961348 7.3765       0.521874 7.81473      0.737504 6.93699      0.738581 2.79221  0.132065  2.63033  0.140397  
1 1 1 42 21 3  o 4.16176  0.0723999 17.3327      0.602622 17.3656      0.864221 17.3015      0.840737 4.16414  0.103769  4.1566   0.101133  
1 1 1 42 21 4  o 8.00435  0.0789127 64.1252      1.26329  66.2034      1.82668  62.2201      1.74897  8.12938  0.112351  7.8812   0.110959  
1 1 1 42 21 5  o 5.63528  0.0762541 31.7827      0.859426 32.0762      1.24463  31.5152      1.18816  5.65868  0.109975  5.60933  0.105909  
1 1 1 42 21 6  o 6.72619  0.0799038 45.284       1.0749   45.6565      1.48742  44.8769      1.55511  6.75089  0.110164  6.69234  0.116186  
1 1 1 42 21 7  o 4.06046  0.0892925 16.5073      0.725137 15.8831      1.00371  17.1888      1.04877  3.98049  0.126079  4.14083  0.126637  
1 1 1 42 21 8  o 2.67134  0.115355  7.15129      0.616303 7.16841      0.90381  7.13641      0.842575 2.6712   0.169177  2.66602  0.158021  
1 1 1 42 21 9  o 3.83336  0.0872385 14.7138      0.668833 14.2505      0.968323 15.1364      0.924915 3.76963  0.128437  3.88582  0.119011  
1 1 1 42 21 10 o 4.70301  0.0815308 22.145       0.76688  22.0225      1.11772  22.254       1.05413  4.68674  0.119243  4.71204  0.111855  
1 1 1 42 21 11 o 2.71678  0.113684  7.39937      0.617706 7.91109      0.893921 6.93173      0.854545 2.80578  0.1593    2.62609  0.162703  
1 1 1 42 21 12 o 5.54663  0.0862663 30.8118      0.956975 28.965       1.34371  32.7126      1.36323  5.37339  0.125034  5.71125  0.119346  
1 1 1 42 21 13 o 2.44572  0.125165  6.00172      0.612239 6.34324      0.870474 5.66738      0.861272 2.51054  0.173364  2.3723   0.181527  
1 1 1 42 21 14 o 0.494579 0.230911  -0.527084    0.561553 0.138038     0.772616 -1.27192     0.817604 0.747469 0.311461  0.52956  0.255769  
1 1 1 42 21 15 o 3.72902  0.0960874 13.9389      0.716624 14.593       0.960746 13.1187      1.07593  3.81227  0.126007  3.61165  0.148952  
1 1 1 42 21 16 o 0.797406 0.276907  0.587274     0.54101  0.988859     0.783255 0.22087      0.748159 1.00206  0.333651  0.756271 0.309893  
1 1 1 42 21 17 o 3.5538   0.0938389 12.6635      0.666969 13.8219      0.965272 11.6051      0.922643 3.70818  0.130155  3.39705  0.135801  
1 1 1 42 21 18 o 2.31746  0.132668  5.40225      0.614905 5.32174      0.888492 5.47627      0.851877 2.29236  0.193794  2.32698  0.183043  
1 1 1 42 21 19 o 3.44579  0.109312  11.9245      0.753333 10.7178      1.14589  12.8431      0.999746 3.25559  0.175989  3.57107  0.139979  
1 1 1 42 21 20 o 2.97851  0.12393   8.92255      0.73825  9.35187      1.10486  8.57625      0.992281 3.03923  0.181766  2.91265  0.17034   
1 1 1 42 21 21 o 1.88154  0.179046  3.5857       0.673765 3.41589      0.962664 3.74876      0.943326 1.8227   0.264076  1.91281  0.246581  
1 1 1 42 21 22 o 1.01854  0.308107  1.0995       0.680947 1.19147      0.937133 0.996625     0.991142 1.08153  0.364957  1.03318  0.373186  
1 1 1 42 21 23 o 2.18478  0.174132  4.84934      0.760881 4.48591      1.06734  5.22488      1.08497  2.08225  0.256295  2.25161  0.240932  
1 1 1 42 21 24 o 1.93709  0.195721  3.83628      0.758259 3.60209      1.05896  4.08268      1.08624  1.85419  0.285557  1.97739  0.274667  
1 1 1 42 21 25 o 1.28127  0.288195  1.79017      0.720586 1.66098      0.99777  1.93101      1.04178  1.22423  0.373486  1.3113   0.377037  
1 1 1 42 21 26 o 0.758555 0.309873  0.296248     0.745761 0.789227     1.01725  -0.276567    1.09653  0.965838 0.371977  0.772958 0.345475  
1 1 1 42 21 27 o 2.01999  0.200372  4.20565      0.809499 5.46354      1.14494  2.94834      1.14467  2.28311  0.250741  1.6103   0.363947  
1 1 1 42 21 28 o 0.755132 0.315596  0.229364     0.796939 0.619657     1.11262  -0.181838    1.14204  0.939013 0.380298  0.796624 0.354404  
1 1 1 42 21 29 o 2.70513  0.166498  7.52783      0.9008   8.57611      1.22051  6.27361      1.33502  2.86223  0.21321   2.41132  0.276825  
1 1 1 42 21 30 o 1.95566  0.21149   4.03383      0.827207 3.21229      1.12853  4.98778      1.21607  1.64861  0.352543  2.13013  0.285444  
1 1 1 42 21 31 o 2.22213  0.190856  5.18666      0.848214 4.88815      1.16772  5.5201       1.23414  2.10133  0.277852  2.23434  0.276177  
1 1 1 42 21 32 o 0.772732 0.323833  0.380741     0.842693 1.09683      1.17097  -0.388541    1.21368  0.995251 0.395069  0.747575 0.345321  
1 1 1 42 21 33 f 0.619583 0.287138  -0.397953    0.848078 -0.26766     1.18025  -0.537041    1.21944  0.743327 0.342276  0.719934 0.337293  
1 1 1 42 21 34 o 0.899789 0.352741  1.00169      0.923214 1.37477      1.27683  0.592944     1.33645  0.997    0.406069  0.865328 0.384297  
1 1 1 42 21 35 o 0.923051 0.357659  1.1681       0.943429 1.13337      1.35187  1.20107      1.31723  0.926762 0.399927  0.937043 0.399275  
1 1 1 42 21 36 o 0.868718 0.356979  1.18291      0.995586 0.296572     1.3817   2.14001      1.4358   0.753585 0.354243  1.0122   0.42336   
1 1 1 42 21 37 o 0.673719 0.314405  0.159824     1.03956  -1.12741     1.48827  1.38624      1.45269  0.632986 0.313616  0.858035 0.389665  
1 1 1 42 22 0  o 0.531413 0.337954  0.126925     0.763876 0.126925     0.763876 0.126925     0.763876 0.458095 0.288114  ?        ?         
1 1 1 42 22 1  o 7.13634  0.0741412 50.9675      1.05819  49.1539      1.5268   52.6441      1.46795  7.00498  0.10898   7.25026  0.101234  
1 1 1 42 22 2  o 4.90699  0.069746  24.0955      0.684486 22.9027      0.934498 25.4762      1.00541  4.78235  0.0977028 5.04375  0.0996685 
1 1 1 42 22 3  o 12.109   0.0945622 146.82       2.2901   145.206      3.18251  148.552      3.29797  12.0346  0.132223  12.1717  0.135477  
1 1 1 42 22 4  o 6.41527  0.0736849 41.189       0.945417 41.0279      1.35373  41.3424      1.32092  6.39991  0.105762  6.42469  0.1028    
1 1 1 42 22 5  o 12.1311  0.101134  147.394      2.45372  147.017      3.41597  147.796      3.52685  12.1064  0.141081  12.1373  0.14529   
1 1 1 42 22 6  o 4.22063  0.0872275 17.8353      0.73631  17.1025      1.01387  18.6532      1.07108  4.13051  0.122729  4.31359  0.124152  
1 1 1 42 22 7  o 2.45688  0.117998  6.0503       0.579815 6.09473      0.843856 6.01057      0.798026 2.46267  0.17133   2.44617  0.163118  
1 1 1 42 22 8  o 8.39826  0.0809978 70.6124      1.36048  72.8109      2.04297  68.8606      1.82367  8.52208  0.119863  8.28934  0.110001  
1 1 1 42 22 9  o 3.06527  0.100771  9.4136       0.617779 9.13914      0.878214 9.68246      0.869199 3.01716  0.145536  3.10601  0.139922  
1 1 1 42 22 10 o 1.81455  0.16005   3.30921      0.580836 2.67385      0.827499 3.92626      0.815485 1.62487  0.254636  1.97321  0.206639  
1 1 1 42 22 11 o 2.1962   0.13371   4.841        0.587306 4.50964      0.839641 5.15842      0.821799 2.11511  0.198487  2.26362  0.181523  
1 1 1 42 22 12 o 6.68497  0.0826634 44.7547      1.10521  43.7027      1.59752  45.7205      1.53061  6.60045  0.121016  6.7524   0.113338  
1 1 1 42 22 13 o 2.79219  0.115616  7.82067      0.645647 7.11011      0.846079 8.81135      0.999028 2.65865  0.159118  2.95858  0.168835  
1 1 1 42 22 14 o 3.36065  0.103209  11.3249      0.693697 11.6485      0.94424  10.9453      1.0225   3.40464  0.13867   3.29826  0.155006  
1 1 1 42 22 15 o 4.9576   0.0878144 24.6311      0.870697 24.6195      1.1859   24.6446      1.28247  4.95191  0.119741  4.95277  0.12947   
1 1 1 42 22 16 o 6.13661  0.0849122 37.7398      1.04215  40.1455      1.50187  35.5058      1.44728  6.32267  0.118769  5.94546  0.121713  
1 1 1 42 22 17 f 4.54032  0.0831319 20.6609      0.754891 21.4543      1.06641  19.8639      1.06875  4.62174  0.115368  4.4463   0.120184  
1 1 1 42 22 18 o 1.60342  0.190367  2.60461      0.610475 2.70895      0.90733  2.51831      0.825188 1.59739  0.295101  1.54343  0.277413  
1 1 1 42 22 19 o 3.93401  0.10426   15.5372      0.82032  14.0983      1.21565  16.7401      1.11154  3.73679  0.16266   4.07768  0.136296  
1 1 1 42 22 20 o 1.5099   0.205385  2.31797      0.620223 2.6683       0.865538 1.94823      0.889197 1.58625  0.283007  1.34076  0.332749  
1 1 1 42 22 21 o 1.51143  0.228307  2.33694      0.69014  2.46023      0.996214 2.22316      0.95698  1.50313  0.33939   1.42793  0.339592  
1 1 1 42 22 22 o 1.1513   0.287539  1.4335       0.660821 1.40334      0.905607 1.46786      0.966439 1.14506  0.357145  1.17082  0.369669  
1 1 1 42 22 23 o 1.07666  0.323301  1.24856      0.751611 1.48878      1.02005  0.963204     1.11174  1.17687  0.380621  1.04281  0.392391  
1 1 1 42 22 24 o 2.43194  0.157046  6.00304      0.763852 5.3433       1.06461  6.70304      1.0966   2.27374  0.234109  2.55324  0.214747  
1 1 1 42 22 25 o 2.81846  0.140577  8.04975      0.792423 7.55953      1.13126  8.52201      1.11034  2.70984  0.208732  2.88334  0.192544  
1 1 1 42 22 26 o 1.09837  0.327374  1.33116      0.772604 2.32155      1.05632  0.191857     1.13295  1.42624  0.36798   0.865626 0.369614  
1 1 1 42 22 27 o 0.839203 0.323724  0.569386     0.7711   0.162754     1.06572  1.01617      1.11709  0.835711 0.357712  1.03869  0.392677  
1 1 1 42 22 28 o 1.07511  0.337893  1.28928      0.808552 1.47575      1.07845  1.04993      1.22186  1.14969  0.391509  1.05617  0.407485  
1 1 1 42 22 29 o 1.92537  0.211375  3.89462      0.813953 4.90493      1.13529  2.826        1.1676   2.13033  0.266458  1.53127  0.382071  
1 1 1 42 22 30 o 1.50626  0.280896  2.55274      0.814708 2.01856      1.10985  3.17694      1.19973  1.27833  0.394704  1.61708  0.377462  
1 1 1 42 22 31 o 0.656284 0.296959  -0.213781    0.83415  -0.237934    1.15602  -0.187546    1.20482  0.76105  0.346149  0.78218  0.355124  
1 1 1 42 22 32 o 1.21702  0.342919  1.8681       0.870292 0.877427     1.21163  2.92398      1.25087  0.94457  0.391588  1.46532  0.410546  
1 1 1 42 22 33 o 0.533233 0.259359  -1.15667     0.880028 -1.5642      1.2948   -0.8068      1.19972  0.63379  0.309501  0.676341 0.322515  
1 1 1 42 22 34 o 0.539012 0.262881  -1.14091     0.923339 -1.13616     1.24866  -1.14665     1.37157  0.638723 0.310125  0.668505 0.324724  
1 1 1 42 22 35 o 0.721608 0.324869  0.28182      0.985847 0.494497     1.38315  0.0622119    1.40551  0.811362 0.372311  0.763527 0.358504  
1 1 1 42 22 36 o 0.740881 0.331428  0.568384     1.01114  1.05535      1.38906  0.0195206    1.4747   0.834193 0.379423  0.728415 0.349774  
1 1 1 42 22 37 o 1.50048  0.369079  3.9375       1.10142  4.25839      1.6169   3.6597       1.50445  1.18075  0.465646  1.12398  0.447292  
1 1 1 42 23 0  o 6.09161  0.107012  37.1749      1.30285  37.1749      1.30285  37.1749      1.30285  6.09435  0.0756086 ?        ?         
1 1 1 42 23 1  o 2.15892  0.124113  4.67206      0.535902 3.57974      0.723308 6.00139      0.797935 1.8866   0.191696  2.44468  0.163198  
1 1 1 42 23 2  o 8.70356  0.0764942 75.8213      1.33154  76.4087      1.89217  75.245       1.87414  8.73311  0.108333  8.66638  0.108127  
1 1 1 42 23 3  o 1.86884  0.103584  3.49855      0.387166 3.4587       0.516852 3.54948      0.584425 1.85687  0.139173  1.88036  0.155403  
1 1 1 42 23 4  o 1.69107  0.164608  2.87238      0.556727 2.94771      0.778541 2.79356      0.796426 1.7096   0.227697  1.66355  0.239375  
1 1 1 42 23 5  o 7.16967  0.0783846 51.4575      1.12398  50.6772      1.54098  52.3446      1.64303  7.11169  0.108341  7.22701  0.113673  
1 1 1 42 23 6  o 2.55055  0.116095  6.52072      0.592211 8.19578      0.842523 4.88492      0.83259  2.85734  0.147431  2.20324  0.188947  
1 1 1 42 23 7  f 3.79855  0.0863689 14.4487      0.656154 14.4884      0.932091 14.4097      0.923848 3.80112  0.122607  3.79085  0.121852  
1 1 1 42 23 8  o 5.71638  0.0770938 32.7142      0.881396 35.1332      1.31006  30.7138      1.19135  5.92039  0.110639  5.53587  0.107602  
1 1 1 42 23 9  o 1.86173  0.15342   3.48238      0.571256 3.55911      0.818379 3.40947      0.79777  1.87769  0.217922  1.83786  0.217037  
1 1 1 42 23 10 o 3.65215  0.0925145 13.3619      0.675754 13.1049      0.952934 13.6219      0.958411 3.6136   0.131854  3.68437  0.130065  
1 1 1 42 23 11 o 4.87687  0.0815063 23.8183      0.794991 23.338       1.10924  24.3256      1.13996  4.82403  0.114971  4.92495  0.115733  
1 1 1 42 23 12 o 2.83286  0.11114   8.04836      0.629687 7.99451      0.855673 8.11195      0.929985 2.81986  0.151723  2.83924  0.163774  
1 1 1 42 23 13 o 2.84166  0.115821  8.10281      0.658248 8.0473       0.884098 8.17186      0.986028 2.82797  0.156313  2.84777  0.173123  
1 1 1 42 23 14 o 1.06086  0.273052  1.19224      0.582633 0.828138     0.808586 1.58543      0.840261 0.954117 0.337817  1.22044  0.334451  
1 1 1 42 23 15 o 2.09585  0.147794  4.42119      0.619507 4.34187      0.818757 4.52742      0.947509 2.07174  0.197601  2.11206  0.224309  
1 1 1 42 23 16 o 1.36108  0.226661  1.88299      0.617005 1.75558      0.841909 2.03082      0.90686  1.27871  0.327705  1.37391  0.333022  
1 1 1 42 23 17 o 1.61958  0.172634  2.65077      0.559192 3.6241       0.843206 1.88663      0.747118 1.88698  0.223428  1.32916  0.289116  
1 1 1 42 23 18 o 4.24405  0.0953641 18.0706      0.809461 17.4383      1.15195  18.6873      1.13768  4.16154  0.138404  4.30934  0.132002  
1 1 1 42 23 19 o 1.35161  0.244716  1.92406      0.63722  1.45629      0.93061  2.33698      0.874348 1.17275  0.361292  1.47646  0.306352  
1 1 1 42 23 20 o 3.39482  0.109742  11.5811      0.745109 10.1375      1.07599  12.9112      1.03282  3.16522  0.169971  3.57793  0.144332  
1 1 1 42 23 21 o 2.25626  0.155693  5.15233      0.702568 5.53722      1.01793  4.80219      0.970897 2.32565  0.218849  2.16454  0.224273  
1 1 1 42 23 22 o 1.15732  0.292164  1.45386      0.676757 1.16502      0.906911 1.81681      1.01661  1.06523  0.359024  1.28339  0.373578  
1 1 1 42 23 23 o 1.99338  0.187257  4.05555      0.746546 4.3311       1.01857  3.73571      1.09738  2.04409  0.24915   1.88636  0.290873  
1 1 1 42 23 24 o 3.08938  0.12783   9.64422      0.789833 9.22027      1.09668  10.1011      1.13848  3.00435  0.182516  3.14513  0.18099   
1 1 1 42 23 25 o 1.62154  0.233076  2.73456      0.755885 2.47144      1.06521  3.00143      1.07279  1.47505  0.363048  1.63996  0.338626  
1 1 1 42 23 26 o 2.64085  0.157103  7.10572      0.82977  7.75007      1.18803  6.49202      1.15944  2.73493  0.217195  2.49693  0.232173  
1 1 1 42 23 27 o 0.998105 0.335674  1.06516      0.79278  0.50815      1.10804  1.64937      1.13476  0.914336 0.376309  1.20555  0.4016    
1 1 1 42 23 28 f 1.98705  0.207905  4.12271      0.826235 3.70724      1.12706  4.60539      1.21481  1.83983  0.306295  2.05693  0.295297  
1 1 1 42 23 29 o 2.49902  0.16841   6.45995      0.841717 6.69643      1.18308  6.21755      1.19779  2.50483  0.236159  2.40515  0.249006  
1 1 1 42 23 30 o 0.500396 0.24437   -1.3157      0.807402 -0.825975    1.13507  -1.81727     1.14873  0.683564 0.321255  0.590935 0.289257  
1 1 1 42 23 31 o 1.69278  0.254866  3.16974      0.862864 2.87631      1.16669  3.52403      1.28199  1.49364  0.387366  1.65387  0.392875  
1 1 1 42 23 32 o 0.698394 0.306973  0.0933088    0.825969 -0.645678    1.14381  0.898584     1.194    0.686739 0.322671  0.941803 0.38948   
1 1 1 42 23 33 o 0.623165 0.29065   -0.381479    0.886842 -0.310807    1.30284  -0.442497    1.2106   0.746686 0.349614  0.709462 0.333046  
1 1 1 42 23 34 o 1.02024  0.364791  1.49734      0.944934 0.834388     1.25814  2.3552       1.4312   0.876901 0.382186  1.16656  0.443454  
1 1 1 42 23 35 o 0.961371 0.36872   1.52669      0.996709 2.93678      1.34005  -0.219275    1.49114  1.22744  0.43486   0.727481 0.349906  
1 1 1 42 23 36 o 0.690928 0.320069  0.188952     1.05234  -0.874113    1.50864  1.19638      1.46863  0.664552 0.327148  0.855404 0.389356  
1 1 1 42 24 0  o 14.3859  0.15289   207.436      4.39781  207.436      4.39781  207.436      4.39781  14.3942  0.108033  ?        ?         
1 1 1 42 24 1  f 5.53755  0.0707562 30.6908      0.783632 30.4168      1.09051  30.9833      1.12682  5.5105   0.0989487 5.56135  0.101309  
1 1 1 42 24 2  o 2.20699  0.112642  4.8815       0.497201 4.59867      0.662315 5.2467       0.752605 2.13999  0.154747  2.28518  0.164671  
1 1 1 42 24 3  o 4.90365  0.0721205 24.0678      0.707308 23.5175      1.02401  24.5699      0.978137 4.8447   0.105683  4.95253  0.0987512 
1 1 1 42 24 4  f 1.89308  0.154378  3.59909      0.5845   3.54892      0.825726 3.64948      0.827493 1.87567  0.220114  1.90226  0.217503  
1 1 1 42 24 5  o 6.18666  0.0814473 38.3217      1.00777  37.705       1.38828  39.0086      1.46525  6.13317  0.113178  6.23772  0.117451  
1 1 1 42 24 6  o 8.22429  0.0821855 67.7262      1.35183  68.3875      1.9141   67.0681      1.90947  8.25908  0.115879  8.17887  0.116732  
1 1 1 42 24 7  o 2.48106  0.123029  6.17415      0.610487 6.67065      0.866846 5.68556      0.859915 2.57556  0.168283  2.37676  0.1809    
1 1 1 42 24 8  o 2.81762  0.111435  7.95909      0.627965 8.30305      0.887232 7.61382      0.888924 2.87456  0.154325  2.75204  0.161503  
1 1 1 42 24 9  o 0.483557 0.227861  -0.653417    0.578453 -1.41006     0.826061 0.0745869    0.810279 0.51941  0.252209  0.749315 0.315942  
1 1 1 42 24 10 o 2.38617  0.127718  5.71449      0.609515 4.67147      0.872441 6.70897      0.851896 2.15158  0.202744  2.58239  0.164943  
1 1 1 42 24 11 o 1.38198  0.218129  1.9315       0.602901 2.1317       0.846126 1.72503      0.859287 1.41757  0.3071    1.2733   0.333475  
1 1 1 42 24 12 o 2.61186  0.115794  6.84551      0.604877 6.49911      0.833561 7.23079      0.879107 2.54055  0.164052  2.67975  0.164028  
1 1 1 42 24 13 o 4.64641  0.0839617 21.6318      0.780241 22.5102      1.06139  20.599       1.15089  4.73623  0.11205   4.52847  0.127073  
1 1 1 42 24 14 o 3.27994  0.100029  10.79        0.656181 10.5727      0.902292 11.0339      0.955994 3.2423   0.139144  3.31155  0.144342  
1 1 1 42 24 15 o 1.81591  0.167241  3.32682      0.60739  3.69813      0.839002 2.91791      0.880455 1.90832  0.219828  1.68989  0.260507  
1 1 1 42 24 16 o 3.0368   0.110947  9.26166      0.673848 9.13555      0.950688 9.38898      0.955258 3.00936  0.157955  3.05105  0.156546  
1 1 1 42 24 17 o 1.44647  0.180815  2.11681      0.523084 2.78624      0.809006 1.63589      0.685699 1.65137  0.24495   1.23762  0.283046  
1 1 1 42 24 18 o 1.95587  0.152271  3.85905      0.595645 4.01917      0.895287 3.73189      0.797845 1.98566  0.225438  1.91606  0.2082    
1 1 1 42 24 19 o 3.7014   0.0972649 13.7523      0.720032 13.7724      1.02814  13.7329      1.00869  3.6967   0.139062  3.69189  0.136609  
1 1 1 42 24 20 o 5.03503  0.0959615 25.4633      0.966338 25.8295      1.36081  25.0907      1.37248  5.06053  0.134453  4.98661  0.137616  
1 1 1 42 24 21 o 3.99921  0.101678  16.0785      0.813263 15.6283      1.13376  16.5557      1.16723  3.93231  0.144159  4.04729  0.144199  
1 1 1 42 24 22 o 0.731503 0.302203  0.21268      0.717695 0.759812     0.986856 -0.401577    1.04564  0.961022 0.367384  0.740738 0.333968  
1 1 1 42 24 23 o 0.801334 0.311807  0.468367     0.71861  0.658965     1.01163  0.274235     1.02097  0.939052 0.368957  0.854034 0.357089  
1 1 1 42 24 24 o 1.12111  0.309127  1.3831       0.715132 0.00763889   0.98127  2.94117      1.04438  0.783043 0.339351  1.62983  0.331911  
1 1 1 42 24 25 o 1.77274  0.215364  3.25254      0.763568 3.07896      1.06504  3.43613      1.0953   1.66343  0.331885  1.76367  0.32251   
1 1 1 42 24 26 o 0.838747 0.327478  0.544799     0.794049 1.59798      1.15383  -0.402752    1.09444  1.19803  0.404959  0.748654 0.339379  
1 1 1 42 24 27 o 1.58054  0.254311  2.64403      0.8039   2.9775       1.11763  2.28655      1.15717  1.60966  0.356613  1.39163  0.396483  
1 1 1 42 24 28 o 1.51069  0.269452  2.52557      0.784837 2.49081      1.09896  2.56174      1.12123  1.43989  0.377135  1.45858  0.38043   
1 1 1 42 24 29 o 0.697174 0.303782  0.0352564    0.794495 -1.00353     1.11153  1.12034      1.13604  0.65867  0.312532  1.03163  0.394233  
1 1 1 42 24 30 o 1.28529  0.323146  1.97248      0.830441 2.08607      1.1907   1.86491      1.15879  1.27141  0.411234  1.21078  0.405829  
1 1 1 42 24 31 o 1.68958  0.247894  3.17256      0.837672 2.86325      1.14926  3.52311      1.22351  1.47725  0.38509   1.65333  0.378069  
1 1 1 42 24 32 f 0.891774 0.337026  0.907372     0.822673 0.431206     1.12848  1.44746      1.20185  0.833536 0.362614  1.0507   0.404392  
1 1 1 42 24 33 f 1.51602  0.315704  2.94519      0.925655 2.92457      1.25756  2.96956      1.36748  1.37594  0.419205  1.35172  0.440862  
1 1 1 42 24 34 o 0.750732 0.332528  0.366255     0.991839 0.444065     1.3496   0.274877     1.46255  0.818925 0.372883  0.812908 0.376864  
1 1 1 42 24 35 o 0.867417 0.356115  1.19981      0.989861 0.536268     1.36862  1.92762      1.43337  0.773941 0.36101   0.967053 0.41442   
1 1 1 42 24 36 o 0.725987 0.332197  0.556924     1.09256  0.150453     1.66238  0.866004     1.44961  0.730297 0.355554  0.78102  0.366242  
1 1 1 42 25 0  o 0.486955 0.3147    0.0349185    0.694114 0.0349185    0.694114 0.0349185    0.694114 0.41288  0.266063  ?        ?         
1 1 1 42 25 1  f 4.28197  0.0749289 18.3545      0.641686 17.9923      0.891994 18.743       0.923805 4.23733  0.105254  4.3247   0.106806  
1 1 1 42 25 2  o 2.80885  0.0885367 7.90133      0.497373 8.1832       0.675742 7.56808      0.734739 2.85686  0.118267  2.74638  0.133765  
1 1 1 42 25 3  o 6.0026   0.0757623 36.0709      0.909542 35.582       1.2612   36.6007      1.31294  5.95868  0.105829  6.04302  0.108633  
1 1 1 42 25 4  f 8.13655  0.0802907 66.2871      1.30658  68.2685      1.92306  64.5883      1.7807   8.25152  0.116528  8.02703  0.110919  
1 1 1 42 25 5  o 3.92399  0.0887011 15.4219      0.696125 16.1538      0.980085 14.6768      0.988912 4.01323  0.122107  3.82467  0.129281  
1 1 1 42 25 6  o 0.760483 0.278785  0.473287     0.554913 1.16293      0.802291 -0.159228    0.768341 1.0702   0.336628  0.679043 0.297282  
1 1 1 42 25 7  o 5.92368  0.0756217 35.132       0.895918 34.1221      1.28209  36.0958      1.25247  5.8341   0.109879  6.00119  0.104352  
1 1 1 42 25 8  o 5.394    0.0790821 29.1348      0.853138 29.5533      1.24393  28.7631      1.17229  5.42861  0.114572  5.35621  0.109433  
1 1 1 42 25 9  o 1.79905  0.157548  3.25499      0.566873 2.80098      0.818602 3.67331      0.785765 1.66214  0.246249  1.90737  0.205982  
1 1 1 42 25 10 o 4.10799  0.0836782 16.9044      0.687498 17.2382      0.988638 16.5919      0.956688 4.14471  0.119265  4.06646  0.117632  
1 1 1 42 25 11 o 4.23529  0.0816358 17.9692      0.691502 18.2788      0.964413 17.6416      0.992034 4.26824  0.112976  4.19251  0.11831   
1 1 1 42 25 12 o 4.281    0.0866886 18.3659      0.742228 18.6086      1.00946  18.0801      1.0951   4.3055   0.117229  4.2422   0.129072  
1 1 1 42 25 13 o 2.86537  0.109223  8.23955      0.625932 8.4507       0.870227 8.01322      0.900977 2.89734  0.150177  2.82012  0.159741  
1 1 1 42 25 14 o 2.5979   0.122366  6.78112      0.63579  7.1264       0.877362 6.39928      0.922632 2.65797  0.165043  2.51619  0.183339  
1 1 1 42 25 15 o 3.07434  0.111363  9.49199      0.684736 9.5551       0.921471 9.41418      1.02323  3.07916  0.14963   3.05338  0.167557  
1 1 1 42 25 16 o 1.95599  0.164711  3.86322      0.644349 3.77071      0.874547 3.97307      0.952992 1.92392  0.227283  1.97252  0.241567  
1 1 1 42 25 17 o 2.77274  0.12441   7.73231      0.689912 7.33368      0.953049 8.1712       1.00001  2.69234  0.176992  2.84212  0.175927  
1 1 1 42 25 18 o 3.53355  0.0956723 12.5315      0.676126 13.2989      0.999449 11.884       0.918096 3.63302  0.137551  3.43505  0.133636  
1 1 1 42 25 19 o 3.39796  0.107245  11.6055      0.728832 10.1373      1.05161  12.9626      1.01103  3.1644   0.166163  3.58442  0.141031  
1 1 1 42 25 20 o 3.20131  0.110023  10.3111      0.704439 10.8295      1.00426  9.80893      0.988381 3.27144  0.153489  3.11219  0.158792  
1 1 1 42 25 21 o 0.572187 0.262335  -0.448784    0.685075 0.506215     0.963608 -1.42482     0.974163 0.891765 0.356898  0.578374 0.279318  
1 1 1 42 25 22 o 2.14252  0.171684  4.67131      0.735673 4.57123      1.05439  4.76625      1.02695  2.09869  0.251203  2.14664  0.239199  
1 1 1 42 25 23 o 0.98225  0.323263  1.00739      0.735242 1.65998      1.02097  0.304384     1.05968  1.22329  0.378744  0.870809 0.36393   
1 1 1 42 25 24 o 3.39436  0.122472  11.6504      0.831432 12.4183      1.13491  10.7609      1.2215   3.48989  0.1626    3.23791  0.188625  
1 1 1 42 25 25 o 1.82564  0.217535  3.45391      0.794284 4.72747      1.09702  2.05065      1.15153  2.12049  0.258672  1.33463  0.400055  
1 1 1 42 25 26 o 0.996258 0.336874  1.05781      0.798456 0.406653     1.11837  1.73479      1.14033  0.895866 0.374102  1.23041  0.402584  
1 1 1 42 25 27 o 2.60798  0.171687  7.00663      0.895513 7.92285      1.35723  6.30023      1.19174  2.73034  0.248546  2.43708  0.244502  
1 1 1 42 25 28 o 1.45861  0.28625   2.39716      0.805285 2.53621      1.12428  2.25067      1.15399  1.44299  0.383077  1.3515   0.399507  
1 1 1 42 25 29 o 2.21936  0.187824  5.15753      0.833696 5.69971      1.17583  4.60942      1.18225  2.28827  0.256925  2.03489  0.290494  
1 1 1 42 25 30 o 0.939328 0.336717  0.998524     0.805542 0.855709     1.11195  1.15626      1.16858  0.940369 0.380455  1.01531  0.397096  
1 1 1 42 25 31 o 0.782365 0.321541  0.489622     0.807851 0.304808     1.09577  0.709687     1.19571  0.812994 0.355479  0.906488 0.383082  
1 1 1 42 25 32 o 0.727874 0.316986  0.257182     0.864084 -0.177672    1.17015  0.778661     1.28141  0.736129 0.339667  0.901525 0.389205  
1 1 1 42 25 33 o 1.56791  0.325438  3.21998      0.986395 2.22298      1.37836  4.26655      1.41221  1.14989  0.435754  1.67192  0.422029  
1 1 1 42 25 34 o 0.665093 0.311256  -0.0832667   1.02792  -0.662267    1.52738  0.396089     1.38975  0.703147 0.341903  0.783481 0.364812  
1 1 1 42 25 35 o 0.718279 0.326707  0.393778     1.03001  -0.640673    1.45258  1.43993      1.46077  0.673538 0.328712  0.889924 0.398223  
1 1 1 42 25 36 o 1.07316  0.389961  2.48317      1.08367  1.84993      1.62119  2.99465      1.45702  0.829492 0.388673  1.0175   0.426084  
1 1 1 42 26 0  o 1.55785  0.252551  2.62438      0.724492 2.62438      0.724492 2.62438      0.724492 1.59286  0.164854  ?        ?         
1 1 1 42 26 1  o 2.73139  0.0987026 7.47515      0.539191 7.82798      0.764238 7.12547      0.760836 2.79261  0.136832  2.66391  0.142804  
1 1 1 42 26 2  o 1.45493  0.155291  2.12717      0.451876 1.61477      0.616865 2.72053      0.663812 1.23993  0.257355  1.64265  0.202056  
1 1 1 42 26 3  o 7.08916  0.0792691 50.3208      1.1239   48.7393      1.58134  51.935       1.59766  6.97223  0.113403  7.19757  0.110986  
1 1 1 42 26 4  o 2.82944  0.1043    8.02379      0.590223 7.07362      0.836916 8.96396      0.832503 2.65283  0.15774   2.98802  0.139307  
1 1 1 42 26 5  o 0.863959 0.282562  0.731915     0.561751 0.486953     0.781342 0.994015     0.808212 0.844667 0.325859  1.01252  0.338925  
1 1 1 42 26 6  f 3.62497  0.0866958 13.1619      0.62854  13.1697      0.899707 13.1545      0.878453 3.62297  0.124167  3.62116  0.121294  
1 1 1 42 26 7  o 1.96955  0.139355  3.89621      0.548935 3.78424      0.791376 4.00004      0.762076 1.9362   0.204363  1.9918   0.191304  
1 1 1 42 26 8  o 5.23578  0.0770601 27.4521      0.80694  26.8514      1.14793  28.0389      1.13456  5.17427  0.110927  5.28795  0.107278  
1 1 1 42 26 9  o 2.9391   0.10083   8.66053      0.592701 8.46116      0.840131 8.85807      0.836294 2.90116  0.144792  2.96884  0.140845  
1 1 1 42 26 10 o 2.00499  0.135237  4.03996      0.542299 4.6538       0.751552 3.37319      0.783285 2.14843  0.174907  1.82534  0.214558  
1 1 1 42 26 11 o 3.97504  0.0854334 15.8339      0.679202 17.1891      0.976032 14.5614      0.945758 4.13782  0.11794   3.80763  0.124192  
1 1 1 42 26 12 o 4.65733  0.0840374 21.7367      0.782779 22.9361      1.09132  20.4657      1.12341  4.77985  0.114159  4.51345  0.124451  
1 1 1 42 26 13 o 2.13393  0.136005  4.58045      0.580452 4.90488      0.797748 4.21546      0.846154 2.20312  0.18105   2.0391   0.207483  
1 1 1 42 26 14 o 1.69357  0.177767  2.89939      0.602123 2.02585      0.816375 3.94146      0.891657 1.37553  0.30482   1.96784  0.226557  
1 1 1 42 26 15 o 2.76138  0.119434  7.66436      0.659607 8.42494      0.903552 6.79655      0.96514  2.88981  0.156334  2.59079  0.186264  
1 1 1 42 26 16 o 1.58124  0.199413  2.53683      0.630641 2.75089      0.8786   2.30935      0.905741 1.63691  0.268371  1.4657   0.317914  
1 1 1 42 26 17 o 3.88873  0.101899  15.1845      0.792512 14.7151      1.0975   15.6959      1.14561  3.82039  0.143637  3.9453   0.145187  
1 1 1 42 26 18 o 2.48591  0.118907  6.2169       0.591184 6.6227       0.912379 5.92322      0.776162 2.55608  0.178472  2.42048  0.160333  
1 1 1 42 26 19 o 4.03761  0.103241  16.3893      0.833694 15.7843      1.19748  16.9585      1.16139  3.95038  0.151565  4.0976   0.141716  
1 1 1 42 26 20 o 2.71926  0.130071  7.46187      0.707393 6.82325      0.979137 8.15915      1.02312  2.58718  0.189228  2.83152  0.180667  
1 1 1 42 26 21 o 0.592021 0.269183  -0.372142    0.697859 -0.30456     0.971455 -0.444207    1.00315  0.726887 0.325021  0.716743 0.324915  
1 1 1 42 26 22 o 2.62358  0.142295  6.97085      0.746642 7.01425      1.07493  6.93039      1.03787  2.61354  0.205646  2.59984  0.199603  
1 1 1 42 26 23 o 1.87611  0.197777  3.61726      0.742102 3.98088      1.02563  3.21772      1.0751   1.94808  0.263242  1.70761  0.326459  
1 1 1 42 26 24 o 2.43394  0.161519  6.04112      0.786256 6.40284      1.08587  5.64247      1.13997  2.48581  0.218414  2.32294  0.245372  
1 1 1 42 26 25 o 0.714188 0.306251  0.0678151    0.783627 -0.387371    1.06099  0.614141     1.16237  0.737943 0.334357  0.953356 0.387725  
1 1 1 42 26 26 o 0.618818 0.281816  -0.375388    0.771607 -0.133227    1.1066   -0.604533    1.07645  0.790643 0.350591  0.708395 0.326457  
1 1 1 42 26 27 o 0.561885 0.265126  -0.758065    0.788202 -1.28442     1.15125  -0.293635    1.0814   0.647365 0.310415  0.746094 0.33783   
1 1 1 42 26 28 o 0.886619 0.331112  0.780146     0.788684 0.792717     1.11255  0.767447     1.11821  0.951567 0.382382  0.946882 0.38217   
1 1 1 42 26 29 o 0.890113 0.328904  0.832543     0.774093 -0.206795    1.07057  1.97132      1.12061  0.741329 0.335879  1.24527  0.398564  
1 1 1 42 26 30 o 1.30405  0.311684  2.05762      0.803029 0.919127     1.06975  3.52736      1.21546  0.937234 0.375647  1.65965  0.374983  
1 1 1 42 26 31 o 0.593713 0.278648  -0.561369    0.845737 -0.419946    1.12256  -0.747021    1.28617  0.70567  0.328307  0.713462 0.337422  
1 1 1 42 26 32 o 1.42069  0.326729  2.62629      0.909566 3.89042      1.25664  1.23524      1.31821  1.66668  0.38454   0.968245 0.405358  
1 1 1 42 26 33 o 0.548618 0.267928  -1.16931     0.970774 -1.79157     1.36686  -0.535959    1.37898  0.613783 0.303239  0.717307 0.342933  
1 1 1 42 26 34 o 0.935176 0.374057  1.48869      1.05763  2.07745      1.55207  0.978312     1.44508  0.98875  0.427619  0.839693 0.383318  
1 1 1 42 26 35 o 0.796181 0.346859  0.915061     1.0354   0.887287     1.54939  0.937472     1.3918   0.80764  0.378709  0.80896  0.372157  
1 1 1 42 27 0  o 0.467275 0.305244  -0.0244048   0.676163 -0.0244048   0.676163 -0.0244048   0.676163 0.391738 0.256216  ?        ?         
1 1 1 42 27 1  o 4.21005  0.0732066 17.7448      0.616407 17.0658      0.852859 18.4875      0.891914 4.1264   0.103342  4.2948   0.103837  
1 1 1 42 27 2  o 0.962155 0.235891  0.974074     0.451045 0.549576     0.613363 1.47392      0.665579 0.807984 0.293402  1.18052  0.284773  
1 1 1 42 27 3  o 3.0551   0.100084  9.35414      0.611534 9.51609      0.912786 9.22224      0.823732 3.07745  0.148302  3.03072  0.135897  
1 1 1 42 27 4  o 2.94447  0.101364  8.68988      0.596929 7.47915      0.850884 9.86322      0.837643 2.72741  0.155987  3.13434  0.133623  
1 1 1 42 27 5  o 4.58687  0.0818633 21.0719      0.750993 21.6384      1.05313  20.4857      1.07123  4.64485  0.113365  4.51882  0.11853   
1 1 1 42 27 6  o 3.44688  0.090918  11.9044      0.626767 11.7319      0.904003 12.0641      0.869752 3.41805  0.13224   3.46684  0.125439  
1 1 1 42 27 7  o 3.26707  0.0930554 10.6969      0.608037 12.0149      0.898203 9.58192      0.826102 3.45899  0.129836  3.08858  0.133735  
1 1 1 42 27 8  o 3.63911  0.0875593 13.27        0.637276 12.6242      0.912719 13.8843      0.890191 3.54535  0.128721  3.71916  0.119676  
1 1 1 42 27 9  o 6.13049  0.079191  37.6486      0.970959 38.4816      1.41345  36.9043      1.3361   6.19221  0.114131  6.06473  0.110153  
1 1 1 42 27 10 o 3.35769  0.0889887 11.3         0.597592 12.0622      0.835033 10.4998      0.855587 3.46582  0.120467  3.23218  0.132355  
1 1 1 42 27 11 o 3.55133  0.0912656 12.6439      0.648228 12.9266      0.868732 12.2888      0.973683 3.58736  0.121082  3.49522  0.139288  
1 1 1 42 27 12 o 3.78305  0.0877639 14.3468      0.66403  14.8909      0.911482 13.7315      0.969346 3.85011  0.118371  3.69527  0.13116   
1 1 1 42 27 13 o 2.59902  0.117304  6.78717      0.60975  6.674        0.815706 6.93048      0.917955 2.57212  0.158567  2.61855  0.175279  
1 1 1 42 27 14 o 3.93208  0.0957401 15.5123      0.752916 15.9082      1.03782  15.0723      1.09396  3.97626  0.130502  3.86832  0.1414    
1 1 1 42 27 15 o 5.24951  0.0936743 27.6457      0.98349  28.062       1.36065  27.1903      1.42318  5.28124  0.12882   5.19651  0.136936  
1 1 1 42 27 16 o 0.858761 0.296235  0.701728     0.618294 1.58145      0.863692 -0.223012    0.885516 1.21188  0.341662  0.713179 0.315262  
1 1 1 42 27 17 o 4.00593  0.100156  16.1137      0.802437 16.7876      1.12253  15.4094      1.14752  4.08125  0.137522  3.90801  0.146817  
1 1 1 42 27 18 o 2.11278  0.162633  4.5226       0.687215 4.7733       0.92141  4.20833      1.03164  2.16065  0.213225  2.01912  0.255469  
1 1 1 42 27 19 f 0.646264 0.27135   0.0936491    0.593555 0.588501     0.900657 -0.28628     0.789175 0.895739 0.348966  0.653608 0.292582  
1 1 1 42 27 20 o 2.41372  0.143401  5.8952       0.692261 5.84343      0.944853 5.95519      1.01715  2.39045  0.197631  2.40945  0.211075  
1 1 1 42 27 21 o 0.615658 0.272739  -0.174551    0.667578 0.226839     0.921839 -0.617193    0.968051 0.810138 0.339061  0.674872 0.31043   
1 1 1 42 27 22 o 2.00063  0.181291  4.09111      0.725393 3.77348      1.05776  4.37312      0.996684 1.89338  0.27933   2.05078  0.243001  
1 1 1 42 27 23 o 0.721831 0.300143  0.20173      0.715142 -0.476241    1.01193  0.878176     1.01079  0.709202 0.322912  0.986798 0.37339   
1 1 1 42 27 24 o 1.26315  0.31087   1.77734      0.781071 2.01551      1.07547  1.5115       1.13624  1.32565  0.383712  1.17606  0.401861  
1 1 1 42 27 25 o 0.804356 0.322328  0.436422     0.787411 0.019767     1.07632  0.916198     1.15497  0.808893 0.353009  1.01537  0.395256  
1 1 1 42 27 26 o 2.03471  0.195197  4.30409      0.794339 3.97352      1.14216  4.61377      1.10547  1.90679  0.299496  2.07303  0.266632  
1 1 1 42 27 27 o 2.29836  0.179395  5.48923      0.82463  6.24637      1.20921  4.83099      1.12748  2.40919  0.250959  2.10869  0.267341  
1 1 1 42 27 28 o 1.80964  0.219374  3.48566      0.793977 4.82953      1.13163  2.18271      1.11427  2.09744  0.269766  1.32147  0.393008  
1 1 1 42 27 29 o 0.885165 0.328271  0.836921     0.772523 2.14159      1.04529  -0.733363    1.14677  1.29422  0.379481  0.688386 0.323342  
1 1 1 42 27 30 o 0.885806 0.338334  0.857128     0.836358 -0.1503      1.0769   2.38832      1.32765  0.734385 0.33404   1.29487  0.434393  
1 1 1 42 27 31 o 1.4217   0.318369  2.54277      0.882573 1.34613      1.21152  3.89589      1.28831  1.00974  0.401529  1.68634  0.389539  
1 1 1 42 27 32 o 0.893177 0.362942  1.00451      1.01765  2.35876      1.49149  -0.175065    1.39199  1.16354  0.449938  0.763398 0.358142  
1 1 1 42 27 33 o 0.772214 0.337198  0.594903     0.983246 -0.524784    1.32659  1.95982      1.46468  0.687728 0.330603  1.02548  0.428168  
1 1 1 42 27 34 o 0.731337 0.330714  0.494745     1.03297  0.228237     1.57386  0.696426     1.36913  0.756914 0.362945  0.788518 0.365201  
1 1 1 42 27 35 o 1.26738  0.397016  3.17832      1.11748  3.31307      1.64335  3.06242      1.52409  1.02704  0.442042  1.02589  0.432968  
1 1 1 42 28 0  o 3.82046  0.111415  14.6543      0.849677 14.6543      0.849677 14.6543      0.849677 3.82429  0.0786272 ?        ?         
1 1 1 42 28 1  o 7.29264  0.0713613 53.2462      1.04082  52.7779      1.46292  53.7264      1.48114  7.25619  0.100805  7.32105  0.101157  
1 1 1 42 28 2  o 4.26103  0.0707329 18.178       0.602791 18.4784      0.834166 17.8496      0.872045 4.29385  0.0971349 4.21954  0.103334  
1 1 1 42 28 3  o 3.71011  0.0893921 13.7915      0.66331  14.8998      0.991193 12.8925      0.892649 3.85235  0.128648  3.58392  0.124535  
1 1 1 42 28 4  o 2.9979   0.101393  9.01023      0.607929 9.01248      0.848584 9.00786      0.871351 2.99467  0.141682  2.99349  0.145541  
1 1 1 42 28 5  o 0.713577 0.274255  0.351184     0.552362 -0.051502    0.783475 0.74914      0.77886  0.707259 0.304821  0.922628 0.331057  
1 1 1 42 28 6  o 3.41895  0.091004  11.715       0.622275 12.6637      0.89213  10.8161      0.86841  3.5512   0.12561   3.28119  0.132331  
1 1 1 42 28 7  o 3.95653  0.0849155 15.6855      0.671941 15.4531      0.954625 15.9137      0.945971 3.92306  0.121668  3.98147  0.118797  
1 1 1 42 28 8  o 5.16658  0.0800849 26.7427      0.82753  27.4609      1.17916  26.0456      1.16164  5.23087  0.112712  5.09407  0.114019  
1 1 1 42 28 9  o 3.10638  0.106118  9.68196      0.659284 8.56805      0.963011 10.6646      0.904476 2.91537  0.165161  3.25638  0.138878  
1 1 1 42 28 10 o 4.97889  0.0904382 24.8524      0.900564 24.9729      1.25416  24.7241      1.29396  4.98499  0.125793  4.95916  0.130461  
1 1 1 42 28 11 o 2.0633   0.15893   4.2924       0.655839 3.69732      0.924033 4.89649      0.931    1.90433  0.242614  2.19649  0.211929  
1 1 1 42 28 12 o 1.97298  0.159591  3.9276       0.629739 4.54953      0.915631 3.36935      0.867488 2.11546  0.216414  1.8173   0.238675  
1 1 1 42 28 13 o 2.25905  0.130293  5.13442      0.588675 5.12989      0.760506 5.14119      0.929808 2.25334  0.168751  2.25009  0.206615  
1 1 1 42 28 14 o 2.76173  0.118058  7.66609      0.652088 7.14499      0.869944 8.33434      0.985146 2.65991  0.163529  2.87137  0.171546  
1 1 1 42 28 15 o 4.16063  0.0977176 17.3762      0.813133 17.9848      1.11194  16.6766      1.19213  4.2264   0.131547  4.06645  0.146581  
1 1 1 42 28 16 o 2.22262  0.150072  4.98499      0.667108 4.04762      0.953964 5.88209      0.933243 1.9886   0.239858  2.40687  0.193871  
1 1 1 42 28 17 o 1.28444  0.269249  1.76835      0.669492 3.16251      0.93222  0.283394     0.962096 1.74817  0.266627  0.843434 0.349257  
1 1 1 42 28 18 o 4.46867  0.0960105 20.0632      0.858079 20.4772      1.2039   19.6356      1.22335  4.50462  0.133629  4.40953  0.138717  
1 1 1 42 28 19 o 1.22867  0.258571  1.6218       0.615378 0.995257     0.908467 2.15305      0.836528 1.01062  0.358049  1.4051   0.306181  
1 1 1 42 28 20 o 2.08867  0.157963  4.42804      0.659862 4.72663      0.932757 4.1289       0.933616 2.14363  0.217565  1.99929  0.233487  
1 1 1 42 28 21 o 1.21574  0.281826  1.61138      0.672462 0.974661     0.986828 2.16337      0.918818 1.01447  0.371785  1.39493  0.333394  
1 1 1 42 28 22 o 0.854367 0.313174  0.668566     0.700245 0.431442     1.00498  0.892321     0.976239 0.876806 0.359204  0.984226 0.368222  
1 1 1 42 28 23 o 3.22467  0.127591  10.5277      0.822878 9.74467      1.19105  11.2427      1.1382   3.07794  0.193481  3.31592  0.171627  
1 1 1 42 28 24 o 0.833747 0.322004  0.566522     0.763406 -0.0259832   1.08473  1.14798      1.07458  0.804672 0.352747  1.06178  0.388076  
1 1 1 42 28 25 f 1.0596   0.331888  1.25556      0.78095  1.86337      1.06115  0.537385     1.15348  1.26226  0.385181  0.927137 0.383077  
1 1 1 42 28 26 o 2.0488   0.193455  4.37771      0.792702 4.70948      1.1249   4.05045      1.11724  2.08463  0.269807  1.92135  0.290744  
1 1 1 42 28 27 o 1.95413  0.205907  4.02271      0.804737 3.89583      1.17537  4.13468      1.10411  1.83098  0.333294  1.93629  0.285111  
1 1 1 42 28 28 o 1.24306  0.31768   1.83742      0.792832 1.32244      1.09423  2.40657      1.15033  1.06241  0.391286  1.37176  0.396773  
1 1 1 42 28 29 o 0.75809  0.318551  0.360762     0.819075 -0.976343    1.04675  2.47245      1.31545  0.621827 0.297643  1.32798  0.432393  
1 1 1 42 28 30 o 1.79733  0.248505  3.62062      0.893291 3.18748      1.20895  4.14146      1.32571  1.54198  0.39123   1.77615  0.384075  
1 1 1 42 28 31 o 0.869521 0.346205  0.890034     0.901711 2.26367      1.30325  -0.371457    1.24891  1.19591  0.428327  0.721433 0.338595  
1 1 1 42 28 32 o 1.09228  0.378748  1.79305      1.01182  2.2905       1.42891  1.29279      1.43296  1.14559  0.440934  0.957717 0.412497  
1 1 1 42 28 33 o 1.54075  0.357647  3.56998      1.08182  3.57448      1.5811   3.56602      1.48341  1.26953  0.469867  1.30988  0.458173  
1 1 1 42 28 34 o 0.495284 0.248307  -1.98833     1.06916  -3.3506      1.56976  -0.809575    1.46021  0.546075 0.277567  0.659913 0.323892  
1 1 1 42 29 0  o 1.99895  0.184068  4.11354      0.721543 4.11354      0.721543 4.11354      0.721543 2.01402  0.127845  ?        ?         
1 1 1 42 29 1  o 4.70756  0.0707761 22.1902      0.666365 23.3765      0.963255 21.1014      0.922812 4.82867  0.0997432 4.58759  0.100577  
1 1 1 42 29 2  o 4.15849  0.0710256 17.3161      0.590718 17.0594      0.80592  17.6141      0.868373 4.12513  0.0976842 4.191    0.1036    
1 1 1 42 29 3  o 3.85527  0.0881366 14.8943      0.679581 14.6717      0.960723 15.1172      0.961423 3.82229  0.125674  3.88012  0.123891  
1 1 1 42 29 4  o 4.24831  0.0813415 18.0811      0.691128 17.2056      0.951187 19.0603      1.00591  4.1405   0.114864  4.35788  0.115413  
1 1 1 42 29 5  o 3.02645  0.100514  9.18547      0.6084   8.75486      0.851192 9.63524      0.869929 2.9503   0.144255  3.09554  0.140513  
1 1 1 42 29 6  o 3.31726  0.0913246 11.0307      0.605895 10.2064      0.860385 11.8416      0.853387 3.18645  0.135007  3.43358  0.124271  
1 1 1 42 29 7  o 4.61407  0.0795208 21.3296      0.733829 20.2898      1.04291  22.3493      1.03274  4.4955   0.115995  4.71917  0.10942   
1 1 1 42 29 8  o 6.46551  0.0896551 41.906       1.15933  41.7396      1.55979  42.1114      1.73294  6.44612  0.120986  6.47151  0.13389   
1 1 1 42 29 9  o 4.94838  0.0892818 24.5488      0.883601 23.0517      1.23383  26.1249      1.26599  4.78841  0.128835  5.09858  0.124151  
1 1 1 42 29 10 o 8.20024  0.0962103 67.4538      1.57789  67.8804      2.21112  67.0112      2.25241  8.21362  0.134601  8.15957  0.138022  
1 1 1 42 29 11 o 5.20139  0.0907507 27.1349      0.944059 29.1571      1.32629  25.058       1.34409  5.38494  0.123148  4.9894   0.134695  
1 1 1 42 29 12 o 4.19563  0.0985092 17.6646      0.826617 17.592       1.12991  17.7481      1.21247  4.1805   0.135141  4.19704  0.144444  
1 1 1 42 29 13 o 1.8016   0.200393  3.29396      0.722055 3.29403      0.98965  3.29388      1.05584  1.78964  0.276493  1.78608  0.295575  
1 1 1 42 29 14 f 4.74663  0.0864188 22.5971      0.820396 22.6737      1.09737  22.5         1.23526  4.74914  0.115534  4.72745  0.130648  
1 1 1 42 29 15 o 2.73973  0.124415  7.55303      0.681725 7.75954      0.943486 7.32743      0.986136 2.76922  0.170352  2.6885   0.183399  
1 1 1 42 29 16 o 2.34581  0.151834  5.56444      0.71235  4.83974      1.00985  6.28221      1.005    2.1718   0.232491  2.48201  0.202457  
1 1 1 42 29 17 o 2.4741   0.142038  6.18395      0.702831 6.13115      0.950526 6.24763      1.04394  2.45281  0.193763  2.47165  0.211182  
1 1 1 42 29 18 o 0.943805 0.305182  0.922621     0.655795 0.652334     0.904025 1.22284      0.952762 0.911224 0.350722  1.0879   0.367988  
1 1 1 42 29 19 o 2.52311  0.130913  6.4308       0.660615 6.84805      0.954338 6.04692      0.91538  2.5909   0.184171  2.43361  0.188071  
1 1 1 42 29 20 o 2.06286  0.159003  4.32395      0.656002 3.92308      0.943122 4.69968      0.913061 1.94426  0.24254   2.13675  0.213656  
1 1 1 42 29 21 o 3.02381  0.124655  9.24451      0.753864 7.7695       1.07164  10.6895      1.06069  2.75056  0.194804  3.23879  0.163748  
1 1 1 42 29 22 o 2.39586  0.158557  5.84932      0.759763 3.98333      1.04343  7.95508      1.10845  1.94351  0.268441  2.77894  0.199437  
1 1 1 42 29 23 o 0.648455 0.285575  -0.10932     0.717663 0.108736     1.03502  -0.311232    0.995967 0.815122 0.35082   0.726324 0.326787  
1 1 1 42 29 24 o 1.03097  0.326909  1.1696       0.755194 1.38959      1.06841  0.949937     1.0676   1.12575  0.389307  1.00672  0.382913  
1 1 1 42 29 25 o 0.812623 0.322164  0.507354     0.777754 0.390017     1.0428   0.65445      1.16757  0.8596   0.360236  0.945889 0.387283  
1 1 1 42 29 26 o 1.1574   0.324144  1.56338      0.779922 0.991893     1.09182  2.15884      1.11448  0.996508 0.385041  1.32576  0.392793  
1 1 1 42 29 27 o 0.998049 0.332347  1.14299      0.777143 0.207372     1.07529  2.16611      1.12445  0.817127 0.354696  1.31301  0.395676  
1 1 1 42 29 28 o 1.2218   0.3212    1.80275      0.795288 1.45408      1.1041   2.17873      1.14652  1.0852   0.393689  1.28768  0.401895  
1 1 1 42 29 29 o 0.83534  0.336309  0.653516     0.86289  1.26992      1.16569  -0.0936702   1.28341  1.02153  0.397202  0.796495 0.362926  
1 1 1 42 29 30 o 1.30922  0.346773  2.25533      0.922597 2.25925      1.31842  2.25158      1.29149  1.21907  0.431392  1.22121  0.427475  
1 1 1 42 29 31 o 0.780069 0.335511  0.514942     0.945481 1.02976      1.38118  0.0609637    1.29701  0.92296  0.401335  0.774299 0.357404  
1 1 1 42 29 32 f 0.838336 0.349481  0.898465     0.973436 0.187964     1.3873   1.58755      1.36623  0.77569  0.362461  0.975981 0.410823  
1 1 1 42 29 33 o 0.545879 0.268864  -1.13632     1.03789  -0.665792    1.50703  -1.56086     1.43149  0.676512 0.331185  0.605159 0.301059  
1 1 1 42 29 34 o 0.694263 0.323976  0.382579     1.10364  -0.75086     1.70054  1.20737      1.45064  0.665527 0.330681  0.805761 0.374232  
1 1 1 42 30 0  o 3.50081  0.111847  12.3149      0.781298 12.3149      0.781298 12.3149      0.781298 3.50506  0.0788993 ?        ?         
1 1 1 42 30 1  o 5.10495  0.0701377 26.0972      0.716099 26.3112      1.02465  25.8928      1.00119  5.12218  0.100021  5.0815   0.0985128 
1 1 1 42 30 2  o 7.03453  0.0707575 49.5559      0.995491 51.1451      1.42664  48.0477      1.38976  7.14141  0.099885  6.92169  0.100392  
1 1 1 42 30 3  o 1.44987  0.186432  2.12339      0.540605 1.83083      0.760151 2.42279      0.768988 1.31141  0.296715  1.54274  0.249228  
1 1 1 42 30 4  o 4.31356  0.0827161 18.6445      0.713603 19.0694      1.03427  18.2584      0.985841 4.35784  0.118668  4.26463  0.115583  
1 1 1 42 30 5  o 3.33146  0.0925349 11.1273      0.616553 10.9792      0.873242 11.2745      0.870638 3.30482  0.132117  3.34926  0.129975  
1 1 1 42 30 6  o 3.19633  0.0935142 10.2442      0.597805 10.384       0.848674 10.1065      0.842211 3.21374  0.132038  3.1704   0.132824  
1 1 1 42 30 7  o 4.98983  0.0926937 24.9666      0.925052 25.9744      1.25664  23.7745      1.36672  5.08401  0.123588  4.86046  0.140596  
1 1 1 42 30 8  o 4.38454  0.092879  19.2793      0.814463 18.1894      1.12786  20.4669      1.17738  4.25235  0.132616  4.51114  0.130497  
1 1 1 42 30 9  o 2.26818  0.146077  5.18314      0.662659 5.59896      0.938709 4.7701       0.935583 2.34971  0.19975   2.16628  0.215942  
1 1 1 42 30 10 o 1.53927  0.208995  2.40666      0.643401 2.5326       0.92132  2.28677      0.898906 1.53953  0.310108  1.45912  0.316907  
1 1 1 42 30 11 o 4.03598  0.101864  16.3496      0.822239 16.6422      1.1168   16.0032      1.21505  4.06566  0.137345  3.9837   0.152503  
1 1 1 42 30 12 o 3.16857  0.125014  10.0989      0.792233 10.5448      1.10106  9.62019      1.14077  3.22958  0.170465  3.08174  0.185085  
1 1 1 42 30 13 o 1.5441   0.231494  2.43496      0.714899 2.03512      0.982088 2.88566      1.04267  1.36717  0.35579   1.63727  0.329994  
1 1 1 42 30 14 o 2.76879  0.134961  7.72312      0.747355 7.55791      1.02193  7.91308      1.09577  2.72951  0.1872    2.79093  0.196309  
1 1 1 42 30 15 o 1.65094  0.182924  2.7699       0.603992 2.86166      0.79368  2.64364      0.931011 1.66902  0.237769  1.56642  0.308158  
1 1 1 42 30 16 o 2.58044  0.137215  6.72228      0.708149 6.73334      0.967735 6.70953      1.03901  2.57187  0.188138  2.5637   0.202638  
1 1 1 42 30 17 o 3.25503  0.109892  10.6665      0.715402 10.7526      0.991741 10.573       1.03298  3.25808  0.152197  3.2286   0.159974  
1 1 1 42 30 18 o 4.54883  0.106158  20.8291      0.965793 24.4276      1.35722  17.1377      1.37462  4.91492  0.138072  4.10603  0.16739   
1 1 1 42 30 19 o 3.3416   0.12469   11.275       0.833328 11.6867      1.13261  10.7891      1.23047  3.38876  0.167113  3.248    0.18942   
1 1 1 42 30 20 o 3.67326  0.105639  13.5967      0.776081 13.1208      1.11409  14.0453      1.08171  3.59262  0.155053  3.72071  0.145364  
1 1 1 42 30 21 o 1.92073  0.182436  3.78146      0.700822 2.30012      0.995972 5.23424      0.986324 1.42557  0.351161  2.24761  0.219416  
1 1 1 42 30 22 o 3.64337  0.116642  13.4133      0.849941 13.484       1.13834  13.3244      1.27769  3.63786  0.156458  3.60686  0.177119  
1 1 1 42 30 23 o 0.704271 0.295137  0.173527     0.699938 -0.164657    1.00257  0.495094     0.977627 0.750828 0.333223  0.875293 0.355714  
1 1 1 42 30 24 o 2.30349  0.175437  5.47076      0.808234 6.33543      1.11135  4.50002      1.17755  2.45482  0.226361  2.03784  0.288921  
1 1 1 42 30 25 o 0.917173 0.338658  0.850288     0.820386 1.02997      1.1281   0.648592     1.19521  1.01462  0.39152   0.943505 0.3899    
1 1 1 42 30 26 o 0.765563 0.313129  0.38009      0.762478 0.0150699    1.02959  0.823423     1.13467  0.773012 0.341054  0.960051 0.38601   
1 1 1 42 30 27 o 0.606597 0.28051   -0.441589    0.803717 -0.869706    1.13127  -0.00526959  1.14206  0.671895 0.317208  0.792126 0.353347  
1 1 1 42 30 28 o 1.32079  0.324789  2.14463      0.853115 3.16333      1.17226  0.99761      1.2439   1.56216  0.378616  0.973843 0.399405  
1 1 1 42 30 29 o 1.76649  0.248875  3.50221      0.87927  3.53         1.24336  3.47441      1.24359  1.62989  0.38674   1.61335  0.389304  
1 1 1 42 30 30 o 0.871838 0.344574  0.905118     0.887189 0.864233     1.27591  0.943391     1.23447  0.900792 0.388621  0.910862 0.387275  
1 1 1 42 30 31 o 2.35888  0.226299  6.3723       1.06763  5.45909      1.55937  7.17806      1.46477  1.89771  0.421916  2.38042  0.30767   
1 1 1 42 30 32 o 0.798554 0.348844  0.794946     1.05323  0.726716     1.50846  0.859849     1.47123  0.820595 0.381313  0.833977 0.38323   
1 1 1 42 30 33 o 0.640621 0.306497  -0.322308    1.1067   -1.38824     1.71029  0.445506     1.45156  0.664919 0.330551  0.76994  0.362268  
1 1 1 42 31 0  o 6.70101  0.101627  45.0055      1.3613   45.0055      1.3613   45.0055      1.3613   6.70481  0.0718014 ?        ?         
1 1 1 42 31 1  o 3.48912  0.0802548 12.198       0.560038 11.6622      0.78546  12.7521      0.798733 3.40805  0.115236  3.56414  0.112051  
1 1 1 42 31 2  o 2.17758  0.104145  4.75774      0.453567 4.06922      0.621335 5.5432       0.663634 2.0098   0.154576  2.34714  0.141371  
1 1 1 42 31 3  o 2.33822  0.126117  5.49446      0.589777 6.25428      0.833318 4.73189      0.834826 2.48992  0.167339  2.16266  0.193009  
1 1 1 42 31 4  o 5.88874  0.0793284 34.7466      0.934289 34.1304      1.38779  35.2573      1.26351  5.82888  0.119044  5.92699  0.106589  
1 1 1 42 31 5  o 2.99082  0.101822  8.97508      0.609062 8.97958      0.857208 8.9705       0.865539 2.98648  0.143515  2.98476  0.144993  
1 1 1 42 31 6  o 4.01886  0.0895477 16.1947      0.719759 15.9978      1.03674  16.378       1.00004  3.9883   0.129973  4.03646  0.123876  
1 1 1 42 31 7  o 1.30266  0.252993  1.79036      0.635604 2.20625      0.898214 1.37324      0.899547 1.43264  0.321427  1.14487  0.35572   
1 1 1 42 31 8  o 3.62468  0.100595  13.1863      0.729252 13.8918      1.05287  12.5357      1.01104  3.71365  0.141757  3.52746  0.143309  
1 1 1 42 31 9  o 1.81073  0.182168  3.31778      0.659715 3.6837       0.931268 2.94916      0.934697 1.89875  0.245232  1.69415  0.27586   
1 1 1 42 31 10 o 3.3937   0.11487   11.5724      0.779671 10.7425      1.09107  12.4384      1.11455  3.26089  0.167296  3.51063  0.15874   
1 1 1 42 31 11 o 2.45632  0.153952  6.08871      0.756311 5.91009      1.03379  6.29439      1.10938  2.40972  0.214505  2.48503  0.223212  
1 1 1 42 31 12 o 2.52329  0.149585  6.4238       0.754892 7.23651      1.03662  5.50619      1.10149  2.66998  0.194125  2.32047  0.237342  
1 1 1 42 31 13 o 2.51568  0.144368  6.38386      0.726367 6.5639       0.992423 6.17615      1.06599  2.54162  0.195234  2.46091  0.216585  
1 1 1 42 31 14 o 0.750884 0.306498  0.259327     0.72903  -0.335653    1.0244   0.86991      1.03774  0.746888 0.333868  1.00848  0.379179  
1 1 1 42 31 15 o 2.78882  0.148497  7.86462      0.828266 9.41101      1.25673  6.6771       1.10129  3.03487  0.207048  2.55404  0.215598  
1 1 1 42 31 16 o 4.77318  0.10543   22.9237      1.00647  20.7466      1.40095  25.2459      1.44688  4.52476  0.15481   4.99545  0.14482   
1 1 1 42 31 17 o 3.77139  0.103644  14.3129      0.781761 14.4029      1.06725  14.2086      1.14835  3.77304  0.141431  3.74368  0.153372  
1 1 1 42 31 18 o 5.27349  0.102162  27.9896      1.0775   28.7832      1.46853  27.0641      1.58586  5.33344  0.137672  5.16434  0.15354   
1 1 1 42 31 19 o 2.33802  0.16423   5.56566      0.767943 5.16269      1.10238  5.94559      1.0704   2.22661  0.247546  2.39842  0.223147  
1 1 1 42 31 20 o 0.712087 0.285478  0.305123     0.618046 -0.124784    0.925517 0.651134     0.830312 0.73471  0.32386   0.882037 0.337046  
1 1 1 42 31 21 o 0.891516 0.310935  0.792289     0.682775 1.4334       0.985584 0.200687     0.946764 1.14199  0.374273  0.806066 0.340773  
1 1 1 42 31 22 o 1.33793  0.267286  1.9572       0.689923 0.8755       0.971012 3.06005      0.980453 0.970267 0.366311  1.66211  0.306442  
1 1 1 42 31 23 o 0.636882 0.285192  -0.219821    0.750371 -0.552282    1.03144  0.153958     1.09366  0.698091 0.320826  0.835551 0.360128  
1 1 1 42 31 24 o 1.63887  0.237929  2.85732      0.779872 2.66826      1.12025  3.0351       1.08634  1.49159  0.375505  1.61192  0.346909  
1 1 1 42 31 25 o 0.93469  0.334319  0.930462     0.793725 0.0010103    1.05459  2.14488      1.20547  0.78061  0.344689  1.31028  0.412728  
1 1 1 42 31 26 o 0.619483 0.283434  -0.35731     0.795119 0.332792     1.12035  -1.05764     1.12863  0.849627 0.365319  0.653682 0.311972  
1 1 1 42 31 27 o 0.568006 0.269877  -0.766066    0.831319 -1.28774     1.15915  -0.21357     1.1929   0.631337 0.304844  0.766951 0.34958   
1 1 1 42 31 28 o 1.82459  0.239343  3.6911       0.873407 4.34516      1.21714  2.99676      1.25405  1.88074  0.335663  1.47972  0.409928  
1 1 1 42 31 29 o 1.42736  0.308701  2.53711      0.856307 1.56643      1.23816  3.42704      1.18555  1.05648  0.409658  1.58798  0.378183  
1 1 1 42 31 30 o 1.25597  0.363975  2.24592      0.967116 3.25514      1.45664  1.45036      1.2933   1.382    0.455007  0.995203 0.40756   
1 1 1 42 31 31 o 0.941055 0.373513  1.34784      1.04656  0.279242     1.5119   2.33092      1.45015  0.801639 0.375572  1.10896  0.439825  
1 1 1 42 31 32 o 0.905698 0.368312  1.4161       1.04879  0.452106     1.47807  2.39365      1.48841  0.768955 0.3629    1.02961  0.430871  
1 1 1 42 31 33 o 0.609931 0.292592  -0.277928    1.0256   0.0834263    1.4787   -0.612905    1.42371  0.70557  0.341326  0.646378 0.318074  
1 1 1 42 32 0  o 2.88785  0.127575  8.41072      0.733559 8.41072      0.733559 8.41072      0.733559 2.894    0.0898131 ?        ?         
1 1 1 42 32 1  o 3.72296  0.07648   13.8874      0.569464 13.6093      0.806881 14.1634      0.803813 3.68163  0.109582  3.75619  0.106999  
1 1 1 42 32 2  o 0.718123 0.24798   0.479304     0.433365 0.323654     0.596385 0.653439     0.630803 0.720574 0.283233  0.845876 0.29849   
1 1 1 42 32 3  o 1.62473  0.173359  2.66687      0.563323 3.29333      0.793734 2.03109      0.799617 1.79971  0.220517  1.37865  0.298431  
1 1 1 42 32 4  o 1.65669  0.169182  2.77209      0.560564 3.32273      0.851041 2.35011      0.745013 1.80525  0.235713  1.51698  0.245558  
1 1 1 42 32 5  o 3.68239  0.0896156 13.5992      0.659999 12.983       0.916121 14.2641      0.951653 3.59265  0.127499  3.76592  0.126351  
1 1 1 42 32 6  o 6.04004  0.0848325 36.5767      1.02478  38.9416      1.46936  34.3369      1.42997  6.22462  0.118028  5.84393  0.122346  
1 1 1 42 32 7  f 2.45334  0.137473  6.05965      0.674534 6.66816      0.951122 5.4439       0.956773 2.56639  0.185304  2.31541  0.20661   
1 1 1 42 32 8  o 1.67383  0.198957  2.84159      0.666039 3.14888      0.930781 2.51914      0.953472 1.75219  0.265605  1.53182  0.321476  
1 1 1 42 32 9  o 2.99327  0.126219  9.01357      0.755614 9.07078      1.04912  8.95191      1.08921  2.9944   0.17518   2.97312  0.183176  
1 1 1 42 32 10 o 1.43952  0.25909   2.18809      0.718748 1.63088      0.984994 2.82267      1.05116  1.23385  0.370028  1.61683  0.336222  
1 1 1 42 32 11 o 2.26241  0.163739  5.17357      0.740888 6.04068      1.0289   4.2398       1.06772  2.43588  0.211197  2.03086  0.262875  
1 1 1 42 32 12 o 1.97969  0.178098  3.9735       0.705157 4.39111      0.972908 3.51133      1.0235   2.07055  0.23494   1.8429   0.277687  
1 1 1 42 32 13 o 0.940094 0.313601  0.890265     0.691944 0.208183     0.947158 1.67093      1.0133   0.821005 0.343652  1.24     0.376001  
1 1 1 42 32 14 o 4.88555  0.113547  24.0252      1.10947  23.9841      1.69092  24.0564      1.4702   4.86     0.173963  4.87656  0.150741  
1 1 1 42 32 15 o 4.54821  0.105904  20.8154      0.963347 19.6939      1.3332   22.0407      1.39356  4.40969  0.151168  4.66574  0.149339  
1 1 1 42 32 16 o 2.32711  0.169201  5.50622      0.787501 5.55429      1.09609  5.45492      1.13218  2.31909  0.236318  2.295    0.246662  
1 1 1 42 32 17 o 3.83709  0.105321  14.824       0.808252 16.2756      1.10555  13.1574      1.18463  4.01064  0.137827  3.59707  0.164666  
1 1 1 42 32 18 o 1.73126  0.206142  3.08208      0.713773 2.12016      0.976085 4.18765      1.04644  1.37432  0.353237  2.00123  0.261448  
1 1 1 42 32 19 o 1.66393  0.218484  2.86703      0.727084 3.38366      1.02862  2.35114      1.02788  1.78538  0.288067  1.43963  0.358046  
1 1 1 42 32 20 o 2.04997  0.185023  4.31192      0.758583 3.92601      1.03414  4.76146      1.11614  1.92929  0.268011  2.12697  0.262379  
1 1 1 42 32 21 o 3.02762  0.126822  9.28921      0.767939 8.49673      1.13347  9.96161      1.04408  2.86877  0.197554  3.12012  0.167314  
1 1 1 42 32 22 o 1.09689  0.304448  1.3448       0.691068 2.61211      0.979901 0.0907563    0.974756 1.5186   0.331784  0.787262 0.33966   
1 1 1 42 32 23 o 0.533198 0.255002  -0.899924    0.764155 -1.80729     1.04855  0.127861     1.11596  0.561796 0.275328  0.830388 0.36091   
1 1 1 42 32 24 o 0.677861 0.299513  -0.0726416   0.798017 -0.623948    1.12104  0.493722     1.13625  0.709862 0.329419  0.896281 0.375839  
1 1 1 42 32 25 o 2.11228  0.198135  4.69411      0.837036 3.81226      1.17774  5.59418      1.18984  1.80083  0.33943   2.26331  0.262854  
1 1 1 42 32 26 o 0.691918 0.303696  0.0363962    0.806083 0.0849963    1.10383  -0.0191349   1.17992  0.793626 0.351256  0.797325 0.357315  
1 1 1 42 32 27 o 1.84665  0.243276  3.78086      0.898491 2.60241      1.27617  4.93917      1.26522  1.36605  0.423542  2.05059  0.308501  
1 1 1 42 32 28 o 0.720285 0.310789  0.237917     0.816222 1.30886      1.18921  -0.715931    1.12231  1.01767  0.399973  0.66698  0.315325  
1 1 1 42 32 29 o 0.552339 0.267146  -0.969469    0.904072 -1.07642     1.37081  -0.887141    1.20272  0.679253 0.328603  0.654269 0.314584  
1 1 1 42 32 30 o 1.47452  0.368383  3.09909      1.08438  3.38534      1.62677  2.87019      1.45472  1.33904  0.478651  1.27096  0.452801  
1 1 1 42 32 31 o 0.892095 0.362015  1.25962      1.01102  0.201001     1.38742  2.4582       1.4763   0.751425 0.353737  1.07657  0.437252  
1 1 1 42 32 32 o 0.673695 0.312347  0.110747     1.00488  0.727132     1.43724  -0.478727    1.40552  0.800775 0.372141  0.679695 0.329707  
1 1 1 42 33 0  o 0.585345 0.343936  0.428839     0.667932 0.428839     0.667932 0.428839     0.667932 0.546929 0.301739  ?        ?         
1 1 1 42 33 1  o 3.44139  0.080591  11.8709      0.554691 11.8231      0.786786 11.9182      0.782136 3.4303   0.114682  3.44423  0.113543  
1 1 1 42 33 2  o 7.48221  0.0768129 56.1025      1.14946  54.3962      1.57434  58.0505      1.68218  7.36013  0.106951  7.60224  0.110637  
1 1 1 42 33 3  o 2.73924  0.10954   7.53581      0.600111 7.53005      0.842783 7.54174      0.854713 2.73235  0.154223  2.73415  0.156303  
1 1 1 42 33 4  o 1.6157   0.170932  2.63784      0.55235  2.26425      0.811329 2.96058      0.75409  1.45956  0.288196  1.70562  0.22106   
1 1 1 42 33 5  o 1.61407  0.18306   2.63642      0.590944 1.27681      0.839199 3.97373      0.832287 1.10536  0.343608  1.97767  0.210421  
1 1 1 42 33 6  o 4.12783  0.101911  17.1035      0.841342 17.8421      1.16158  16.2885      1.22026  4.20927  0.137979  4.0189   0.151816  
1 1 1 42 33 7  o 2.81556  0.12807   7.97659      0.72118  8.32096      1.01878  7.63071      1.02102  2.86746  0.177646  2.74438  0.186021  
1 1 1 42 33 8  o 2.91391  0.131743  8.54907      0.767774 7.7076       1.04619  9.53122      1.13026  2.75674  0.189752  3.06678  0.184275  
1 1 1 42 33 9  o 3.52788  0.118757  12.5161      0.837925 13.3428      1.1805   11.6766      1.18957  3.63356  0.162444  3.39624  0.17513   
1 1 1 42 33 10 o 2.61696  0.145831  6.90818      0.763268 6.53981      1.03575  7.34595      1.12913  2.53548  0.204252  2.68586  0.210199  
1 1 1 42 33 11 o 1.22419  0.283123  1.61263      0.679916 2.75158      0.984323 0.573313     0.940281 1.59634  0.31959   0.906815 0.355886  
1 1 1 42 33 12 f 2.65983  0.136885  7.14111      0.72818  6.95041      1.0193   7.33987      1.04063  2.61167  0.195144  2.68418  0.193846  
1 1 1 42 33 13 o 2.31951  0.16358   5.45454      0.758851 5.44682      1.09668  5.46163      1.05112  2.30023  0.238386  2.30619  0.227891  
1 1 1 42 33 14 o 3.43925  0.125354  11.9333      0.862249 11.2897      1.25058  12.5166      1.19045  3.32686  0.187952  3.50938  0.169609  
1 1 1 42 33 15 o 6.26229  0.111916  39.5045      1.40171  41.3678      2.04494  37.8532      1.92511  6.38385  0.160165  6.10809  0.157587  
1 1 1 42 33 16 o 4.58317  0.122139  21.1988      1.11957  21.9981      1.46552  20.0785      1.735    4.65443  0.157432  4.4283   0.1959    
1 1 1 42 33 17 o 1.94598  0.214574  3.90238      0.835112 3.11359      1.11807  4.89774      1.25598  1.6735   0.34582   2.15304  0.291674  
1 1 1 42 33 18 o 0.605818 0.269354  -0.185759    0.658777 1.04876      0.894622 -1.64815     0.973696 1.01429  0.355712  0.552427 0.269519  
1 1 1 42 33 19 o 0.619102 0.276055  -0.207671    0.696453 -0.192998    0.987145 -0.222214    0.982735 0.745224 0.330704  0.738372 0.328615  
1 1 1 42 33 20 f 1.75947  0.21572   3.21185      0.759104 2.41322      1.04099  4.11878      1.10933  1.4527   0.359728  1.96747  0.281919  
1 1 1 42 33 21 o 2.26883  0.15077   5.25074      0.684143 5.46569      0.988287 5.05295      0.948016 2.29132  0.215659  2.20332  0.215133  
1 1 1 42 33 22 o 1.62505  0.238696  2.79539      0.775786 2.34656      1.04559  3.34507      1.15712  1.41162  0.367     1.70124  0.352001  
1 1 1 42 33 23 o 2.2838   0.181706  5.4191       0.829959 5.38293      1.15105  5.45826      1.19782  2.23434  0.257582  2.24393  0.266903  
1 1 1 42 33 24 o 1.61682  0.24661   2.81712      0.797447 2.25962      1.11139  3.40871      1.14487  1.35115  0.389736  1.6974   0.349209  
1 1 1 42 33 25 o 0.980274 0.336227  1.10619      0.795529 1.23282      1.12793  0.980845     1.12219  1.04207  0.394394  0.980729 0.387557  
1 1 1 42 33 26 o 0.806732 0.332196  0.509405     0.863929 0.899758     1.19586  0.0832816    1.24946  0.952891 0.391349  0.819742 0.367519  
1 1 1 42 33 27 o 1.30849  0.324428  2.1249       0.845901 1.25038      1.19995  2.98882      1.19265  1.01528  0.400902  1.49185  0.393872  
1 1 1 42 33 28 o 1.60113  0.288336  3.11012      0.889653 3.63204      1.27725  2.61829      1.23989  1.60309  0.399379  1.32121  0.418874  
1 1 1 42 33 29 o 0.558585 0.272091  -1.12561     0.978062 0.16137      1.49868  -2.08038     1.29085  0.817917 0.380071  0.579007 0.287749  
1 1 1 42 33 30 o 0.970066 0.36709   1.46455      0.977044 2.24694      1.36174  0.63443      1.40267  1.09751  0.428779  0.826144 0.377349  
1 1 1 42 33 31 o 0.570762 0.277149  -0.732209    0.997581 -0.411951    1.39598  -1.06643     1.42609  0.678992 0.329122  0.6355   0.312973  
1 1 1 42 33 32 o 0.738691 0.33294   0.691954     1.0384   0.73108      1.49491  0.655472     1.44349  0.764526 0.36261   0.754834 0.357213  
1 1 1 42 34 0  o 0.840871 0.377625  1.04508      0.673916 1.04508      0.673916 1.04508      0.673916 0.897864 0.298911  ?        ?         
1 1 1 42 34 1  o 2.74543  0.0949659 7.56206      0.521444 7.55848      0.739429 7.56559      0.735453 2.74014  0.134925  2.74154  0.134132  
1 1 1 42 34 2  o 4.92491  0.0733582 24.3026      0.722565 23.9062      0.97014  24.7963      1.08285  4.88051  0.0993893 4.96871  0.108967  
1 1 1 42 34 3  o 0.72637  0.270195  0.424067     0.524149 -0.165681    0.762396 0.952662     0.721787 0.669753 0.294651  0.97382  0.320292  
1 1 1 42 34 4  o 2.49305  0.120359  6.24943      0.600119 6.75995      0.948308 5.9084       0.775058 2.58347  0.183533  2.41893  0.160207  
1 1 1 42 34 5  o 3.27443  0.115753  10.7778      0.758051 11.4911      1.06047  10.0324      1.08401  3.37366  0.157169  3.14927  0.172105  
1 1 1 42 34 6  o 3.47229  0.115913  12.121       0.804969 13.9632      1.12374  10.1794      1.15365  3.71993  0.151043  3.16975  0.181978  
1 1 1 42 34 7  o 4.29658  0.105731  18.5431      0.908563 17.3144      1.28599  19.7676      1.28382  4.14101  0.155274  4.42738  0.144987  
1 1 1 42 34 8  o 2.33183  0.162056  5.49517      0.755773 5.81272      1.0313   5.1268       1.11077  2.38828  0.215908  2.23618  0.248363  
1 1 1 42 34 9  o 3.24205  0.122733  10.5816      0.795812 11.4362      1.13623  9.75871      1.11496  3.36031  0.169067  3.10154  0.179743  
1 1 1 42 34 10 o 0.587093 0.264866  -0.302844    0.658744 -1.3363      0.923289 0.768697     0.94015  0.567183 0.273423  0.957464 0.36073   
1 1 1 42 34 11 o 0.880495 0.309404  0.735118     0.677137 0.284157     0.934601 1.23341      0.98242  0.833272 0.34459   1.09964  0.373672  
1 1 1 42 34 12 o 1.85948  0.202509  3.53297      0.75312  2.88015      1.11006  4.08975      1.02515  1.61617  0.353159  1.9874   0.257912  
1 1 1 42 34 13 o 1.53282  0.248957  2.43264      0.763212 1.83438      1.08402  3.02068      1.07473  1.28706  0.388627  1.65988  0.335473  
1 1 1 42 34 14 o 4.33497  0.114164  18.9365      0.989792 20.102       1.41184  17.81        1.38802  4.45059  0.158613  4.18635  0.165779  
1 1 1 42 34 15 o 4.321    0.131168  18.8701      1.13356  19.277       1.53076  18.376       1.68674  4.3486   0.176007  4.23447  0.199168  
1 1 1 42 34 16 o 3.03111  0.152944  9.33026      0.927179 9.31155      1.20552  9.35735      1.45072  3.01161  0.200146  3.0012   0.241689  
1 1 1 42 34 17 o 2.25222  0.178733  5.19153      0.805095 6.08466      1.11716  4.22645      1.16128  2.41999  0.230818  1.99493  0.291058  
1 1 1 42 34 18 o 1.94728  0.201759  3.90878      0.785764 4.75154      1.1035   3.04196      1.11914  2.1262   0.259501  1.64283  0.350902  
1 1 1 42 34 19 o 1.0046   0.317379  1.09342      0.712288 2.34193      1.00294  -0.177181    1.01177  1.43537  0.351658  0.755952 0.335217  
1 1 1 42 34 20 o 0.937351 0.324847  0.906929     0.744231 0.877186     1.01832  0.941029     1.09037  0.979073 0.373512  1.00912  0.386055  
1 1 1 42 34 21 o 2.9205   0.13688   8.68715      0.799514 9.03879      1.0761   8.25385      1.19451  2.95877  0.181849  2.81129  0.212449  
1 1 1 42 34 22 o 1.92583  0.206002  3.88934      0.793452 5.34402      1.11209  2.38103      1.13241  2.23347  0.248961  1.39872  0.390212  
1 1 1 42 34 23 o 1.09007  0.324712  1.38101      0.760237 1.03617      1.04007  1.77663      1.11401  0.998717 0.378506  1.20802  0.397911  
1 1 1 42 34 24 o 1.4793   0.276121  2.47631      0.786568 2.74528      1.1036   2.19862      1.12136  1.49324  0.370767  1.31997  0.394601  
1 1 1 42 34 25 o 2.0135   0.211421  4.34959      0.851394 5.20397      1.20172  3.48854      1.2064   2.14711  0.279847  1.66685  0.37149   
1 1 1 42 34 26 o 0.999185 0.345225  1.22712      0.839989 0.936918     1.24326  1.47085      1.13937  0.95828  0.396932  1.07094  0.398367  
1 1 1 42 34 27 o 2.23652  0.210038  5.47808      0.939508 4.64728      1.30363  6.37589      1.3552   1.90029  0.356166  2.32045  0.292012  
1 1 1 42 34 28 o 0.789574 0.332612  0.580161     0.896685 -0.608203    1.28995  1.69129      1.24733  0.701021 0.334317  1.05519  0.410756  
1 1 1 42 34 29 o 0.993959 0.362763  1.42815      0.938674 1.4424       1.33733  1.4143       1.31785  0.979129 0.408994  0.974152 0.406401  
1 1 1 42 34 30 o 0.618017 0.295297  -0.403165    1.0188   0.0586477    1.3371   -1.04237     1.57308  0.727346 0.344012  0.672716 0.331341  
1 1 1 42 34 31 o 1.0006   0.375289  1.76718      1.01533  3.18415      1.45356  0.417093     1.41884  1.20146  0.449349  0.762118 0.358464  
1 1 1 42 35 0  o 3.08834  0.123159  9.6117       0.757966 9.6117       0.757966 9.6117       0.757966 3.09434  0.0867581 ?        ?         
1 1 1 42 35 1  o 2.18663  0.114998  4.80639      0.502918 5.17686      0.725708 4.46408      0.697591 2.26376  0.160288  2.10138  0.165984  
1 1 1 42 35 2  o 0.885554 0.242965  0.828262     0.443119 1.38987      0.593855 0.122775     0.665592 1.14116  0.265042  0.691025 0.288586  
1 1 1 42 35 3  o 2.20679  0.136214  4.9059       0.601193 4.16487      0.885679 5.53909      0.818697 2.02149  0.219066  2.33924  0.174992  
1 1 1 42 35 4  o 1.92613  0.165213  3.75051      0.636446 3.64411      0.972683 3.83017      0.841617 1.88382  0.258168  1.93876  0.21705   
1 1 1 42 35 5  o 5.32009  0.0960001 28.4084      1.02146  28.6461      1.39046  28.1297      1.50551  5.3338   0.130345  5.28196  0.142514  
1 1 1 42 35 6  o 3.2754   0.121176  10.7942      0.793796 9.88874      1.1318   11.6708      1.11362  3.12304  0.181201  3.39703  0.163911  
1 1 1 42 35 7  o 1.71947  0.203492  3.01194      0.699794 2.02331      0.9673   4.09757      1.01364  1.35933  0.3528    1.9953   0.254008  
1 1 1 42 35 8  o 3.37249  0.116435  11.4502      0.785355 11.2051      1.09261  11.7123      1.12964  3.32539  0.164282  3.39931  0.166158  
1 1 1 42 35 9  o 2.58056  0.142115  6.72696      0.733472 7.21509      1.0229   6.21037      1.0523   2.66156  0.192162  2.46404  0.213531  
1 1 1 42 35 10 o 3.13556  0.122289  9.90741      0.76689  10.1093      1.06992  9.69405      1.09978  3.15621  0.169495  3.08837  0.178052  
1 1 1 42 35 11 o 0.550624 0.258016  -0.670128    0.714707 -0.802472    1.01245  -0.53867     1.00905  0.669569 0.311619  0.706174 0.32178   
1 1 1 42 35 12 o 3.76456  0.126757  14.3033      0.95437  11.7679      1.41729  16.4067      1.29092  3.3878   0.209175  4.02064  0.160536  
1 1 1 42 35 13 o 1.02364  0.325104  1.11082      0.746655 1.57006      1.03822  0.618842     1.07458  1.20093  0.383557  0.948101 0.377797  
1 1 1 42 35 14 o 0.959237 0.33073   0.921851     0.770587 1.38323      1.05467  0.393484     1.12864  1.14345  0.387168  0.911974 0.377998  
1 1 1 42 35 15 o 4.56722  0.123756  21.073       1.13044  20.9377      1.59077  21.2111      1.60672  4.52924  0.175611  4.55839  0.176238  
1 1 1 42 35 16 o 3.43898  0.126577  11.9663      0.870591 11.7247      1.19255  12.2419      1.27387  3.3858   0.176111  3.45601  0.184298  
1 1 1 42 35 17 o 0.968908 0.332141  0.967173     0.776213 0.755696     1.06571  1.20612      1.13282  0.9671   0.379016  1.09418  0.398597  
1 1 1 42 35 18 o 0.637162 0.289465  -0.372612    0.803279 -0.0325145   1.15693  -0.689173    1.11618  0.831743 0.364458  0.717408 0.3313    
1 1 1 42 35 19 o 1.41622  0.301575  2.23452      0.828756 1.4161       1.24732  2.8814       1.10892  1.152    0.418394  1.58469  0.35826   
1 1 1 42 35 20 o 1.99902  0.203573  4.15457      0.813895 5.43995      1.21921  3.12131      1.09312  2.25504  0.270331  1.65324  0.342173  
1 1 1 42 35 21 o 1.5822   0.255996  2.68708      0.810077 2.32953      1.18223  3.00354      1.11222  1.37992  0.403241  1.59779  0.357113  
1 1 1 42 35 22 o 1.34779  0.290242  2.06609      0.759992 1.91234      1.05303  2.23324      1.09796  1.25353  0.383946  1.34949  0.38676   
1 1 1 42 35 23 o 2.01397  0.203788  4.28207      0.820847 4.6708       1.16512  3.89898      1.15664  2.05265  0.283807  1.8287   0.328154  
1 1 1 42 35 24 o 0.895679 0.336879  0.842939     0.819258 1.45732      1.10839  0.10306      1.21633  1.0916   0.394606  0.825701 0.366669  
1 1 1 42 35 25 o 0.75909  0.320269  0.355044     0.833504 1.9855       1.20355  -1.14766     1.15543  1.20667  0.413589  0.639202 0.307583  
1 1 1 42 35 26 o 1.45859  0.314747  2.6039       0.892039 3.51974      1.26962  1.71104      1.2536   1.61764  0.395253  1.11866  0.417512  
1 1 1 42 35 27 o 1.35581  0.331459  2.40488      0.892489 2.13349      1.24458  2.69218      1.28053  1.17725  0.41888   1.31848  0.426465  
1 1 1 42 35 28 o 0.774975 0.332429  0.519279     0.923869 1.18358      1.28958  -0.181186    1.32421  0.940462 0.397656  0.747538 0.350451  
1 1 1 42 35 29 o 0.803971 0.343087  0.809912     0.975159 0.463948     1.32797  1.21478      1.43659  0.785542 0.362232  0.892125 0.397172  
1 1 1 42 35 30 o 0.831491 0.350331  1.05537      0.995053 1.56646      1.37431  0.492223     1.4426   0.908216 0.397602  0.770357 0.362081  
1 1 1 42 35 31 f 0.614058 0.293083  -0.142904    0.996585 0.960881     1.40418  -1.26322     1.41465  0.775725 0.363165  0.597039 0.297333  
1 1 1 42 36 0  o 2.05221  0.182306  4.33849      0.734677 4.33849      0.734677 4.33849      0.734677 2.06794  0.126697  ?        ?         
1 1 1 42 36 1  o 1.43516  0.172789  2.08541      0.49596  2.09855      0.709943 2.07289      0.693144 1.40737  0.262     1.39971  0.257221  
1 1 1 42 36 2  o 1.13533  0.216852  1.35604      0.474775 1.37166      0.630471 1.33559      0.721582 1.13041  0.279971  1.11557  0.311576  
1 1 1 42 36 3  o 3.14423  0.103145  9.93228      0.648621 9.54954      0.95027  10.2661      0.88752  3.07411  0.15456   3.19052  0.139087  
1 1 1 42 36 4  o 2.48405  0.132219  6.21982      0.656875 5.25072      0.97881  7.0139       0.886027 2.26741  0.215844  2.63137  0.168359  
1 1 1 42 36 5  o 5.24606  0.0995246 27.6532      1.04422  28.2838      1.38379  26.8192      1.59139  5.29654  0.130632  5.14921  0.154527  
1 1 1 42 36 6  o 2.02202  0.174688  4.15082      0.706447 2.58368      0.989961 5.77696      1.00843  1.53911  0.331096  2.37716  0.212108  
1 1 1 42 36 7  o 1.41913  0.258254  2.14071      0.70589  2.57489      0.980578 1.6737       1.01698  1.53667  0.328635  1.24028  0.376802  
1 1 1 42 36 8  o 2.90329  0.134535  8.50736      0.781187 8.22433      1.08355  8.8137       1.12728  2.84138  0.190672  2.94116  0.191639  
1 1 1 42 36 9  o 3.88     0.111796  15.1563      0.867541 15.6878      1.23766  14.6429      1.21639  3.93443  0.157286  3.80025  0.160041  
1 1 1 42 36 10 o 0.710706 0.303635  0.0467981    0.765327 0.475384     1.11403  -0.336258    1.0532   0.928572 0.378931  0.754371 0.337836  
1 1 1 42 36 11 o 0.779945 0.318248  0.300741     0.785717 -0.679842    1.20827  1.01922      1.03426  0.761778 0.348896  1.04084  0.380696  
1 1 1 42 36 12 o 1.61669  0.255756  2.71749      0.826958 1.19167      1.19093  4.13822      1.14918  1.11231  0.408349  1.98408  0.289601  
1 1 1 42 36 13 o 3.43963  0.129205  11.9568      0.888837 11.3895      1.16471  12.748       1.37541  3.3424   0.174232  3.52763  0.194949  
1 1 1 42 36 14 o 2.48337  0.164996  6.28123      0.819493 6.32593      1.09132  6.22343      1.24091  2.47456  0.220508  2.44165  0.254114  
1 1 1 42 36 15 o 1.42319  0.28103   2.20692      0.771446 2.02645      1.08791  2.38945      1.0941   1.33151  0.386092  1.44538  0.375248  
1 1 1 42 36 16 o 3.81849  0.118322  14.7355      0.903619 13.5338      1.22897  16.1496      1.3332   3.6397   0.168829  3.9765   0.167635  
1 1 1 42 36 17 o 2.20082  0.185358  4.97336      0.815879 5.15443      1.14624  4.78742      1.16156  2.21316  0.258961  2.12701  0.273051  
1 1 1 42 36 18 o 2.49112  0.185066  6.3918       0.922045 5.70112      1.33799  7.01644      1.27241  2.30436  0.290317  2.58124  0.246473  
1 1 1 42 36 19 o 2.75903  0.169709  7.81811      0.936467 7.48267      1.36362  8.11752      1.28831  2.65454  0.256847  2.77998  0.231712  
1 1 1 42 36 20 o 1.60329  0.241148  2.73426      0.77326  3.65018      1.15342  1.98655      1.04214  1.78329  0.335713  1.28985  0.379135  
1 1 1 42 36 21 o 2.32714  0.177957  5.62487      0.828258 6.8157       1.24047  4.66687      1.11261  2.5196   0.246163  2.07145  0.268557  
1 1 1 42 36 22 o 2.33969  0.173149  5.68902      0.810229 5.61927      1.13572  5.76131      1.15623  2.27934  0.249133  2.30694  0.250599  
1 1 1 42 36 23 o 1.57463  0.261875  2.73571      0.824712 1.37457      1.14101  4.22469      1.19339  1.07634  0.398996  1.92098  0.310621  
1 1 1 42 36 24 o 1.49241  0.31337   2.67359      0.905586 2.57413      1.29198  2.76964      1.2697   1.36276  0.426889  1.42376  0.418483  
1 1 1 42 36 25 o 1.83414  0.230707  3.70788      0.846297 3.67714      1.21349  3.73698      1.18086  1.69064  0.369088  1.71992  0.355386  
1 1 1 42 36 26 o 0.883305 0.341607  0.917304     0.859794 1.67836      1.19775  0.108221     1.23497  1.08324  0.407349  0.78933  0.358681  
1 1 1 42 36 27 o 1.90908  0.249947  4.26351      0.954341 3.84802      1.37841  4.64604      1.3226   1.57597  0.426812  1.82804  0.374654  
1 1 1 42 36 28 o 0.919673 0.357923  1.19482      0.946984 0.494445     1.37244  1.8313       1.30834  0.822825 0.375025  1.04486  0.416707  
1 1 1 42 36 29 o 0.73067  0.327287  0.484102     0.988884 0.110174     1.35356  0.912165     1.44823  0.72997  0.345663  0.828019 0.380379  
1 1 1 42 36 30 o 0.833578 0.350289  1.08545      0.990496 1.32064      1.41793  0.861301     1.38422  0.863338 0.389091  0.803843 0.370349  
1 1 1 42 37 0  o 2.62279  0.159797  6.99842      0.831104 6.99842      0.831104 6.99842      0.831104 2.63429  0.112005  ?        ?         
1 1 1 42 37 1  o 5.58526  0.0783472 31.2907      0.875179 30.4339      1.18663  32.3127      1.29597  5.50084  0.107859  5.66607  0.114362  
1 1 1 42 37 2  o 5.91374  0.0782307 35.0794      0.925273 35.3618      1.27125  34.7613      1.3493   5.92965  0.107194  5.87662  0.114802  
1 1 1 42 37 3  o 3.61605  0.0964906 13.1369      0.697829 13.5202      1.05005  12.8338      0.933892 3.65817  0.143521  3.56717  0.130901  
1 1 1 42 37 4  o 5.2951   0.0998717 28.1794      1.05766  27.1176      1.55662  29.0901      1.44152  5.17802  0.150311  5.36916  0.134241  
1 1 1 42 37 5  o 3.34046  0.122441  11.2439      0.818021 11.2705      1.15664  11.2172      1.15707  3.33166  0.173584  3.32364  0.174066  
1 1 1 42 37 6  o 1.83606  0.204261  3.44496      0.75007  3.17693      1.06234  3.7114       1.05918  1.7122   0.32206   1.88779  0.280535  
1 1 1 42 37 7  o 3.69899  0.118979  13.7886      0.880208 14.2576      1.23983  13.3119      1.24984  3.74785  0.165405  3.61902  0.172676  
1 1 1 42 37 8  o 3.48493  0.122953  12.2494      0.856963 12.5014      1.19978  11.9869      1.22445  3.50647  0.171081  3.43107  0.178436  
1 1 1 42 37 9  o 1.86965  0.207402  3.58315      0.775537 4.42147      1.15869  2.90279      1.04383  2.05562  0.281833  1.62667  0.332337  
1 1 1 42 37 10 o 0.899969 0.325584  0.748149     0.754679 0.567521     1.09652  0.910715     1.04025  0.942147 0.379195  1.01201  0.379809  
1 1 1 42 37 11 o 2.27471  0.175135  5.27273      0.796764 5.46537      1.11581  5.07231      1.13811  2.29573  0.24302   2.20668  0.257877  
1 1 1 42 37 12 o 1.5589   0.243201  2.52389      0.758255 2.75357      1.05123  2.27479      1.09476  1.57288  0.343652  1.41723  0.378827  
1 1 1 42 37 13 o 3.30734  0.136087  11.0799      0.900175 10.692       1.16298  11.6598      1.42173  3.2336   0.179827  3.36264  0.211401  
1 1 1 42 37 14 o 0.880809 0.324234  0.712326     0.75126  1.06407      1.05764  0.354128     1.06731  1.04547  0.384723  0.878437 0.366055  
1 1 1 42 37 15 o 0.920973 0.332648  0.814757     0.787505 0.909128     1.10399  0.716992     1.12367  1.01253  0.38814   0.971902 0.386628  
1 1 1 42 37 16 o 2.57669  0.168094  6.78697      0.866255 7.31786      1.23825  6.27811      1.2123   2.64878  0.23374   2.4472   0.247691  
1 1 1 42 37 17 o 4.91071  0.122321  24.4311      1.20137  21.8424      1.67677  27.1618      1.72212  4.60739  0.181965  5.14916  0.167224  
1 1 1 42 37 18 o 0.868703 0.339444  0.614661     0.853488 -0.580987    1.2657   1.61169      1.1558   0.777302 0.35646   1.1907   0.405306  
1 1 1 42 37 19 o 1.33857  0.318337  2.05577      0.840944 1.75012      1.20562  2.34538      1.17357  1.21623  0.41395   1.38984  0.400358  
1 1 1 42 37 20 o 0.760722 0.317383  0.295648     0.803845 0.0874724    1.13274  0.506843     1.14092  0.821194 0.360226  0.900704 0.377101  
1 1 1 42 37 21 o 1.85863  0.220192  3.66987      0.818509 4.28733      1.25825  3.21689      1.0777   1.94332  0.323737  1.65572  0.337148  
1 1 1 42 37 22 o 1.05213  0.341229  1.3138       0.819416 1.83753      1.15492  0.782913     1.16278  1.20496  0.405151  0.944657 0.386585  
1 1 1 42 37 23 o 1.12964  0.346547  1.58446      0.857422 1.56425      1.26004  1.60188      1.17011  1.11026  0.417748  1.11908  0.405355  
1 1 1 42 37 24 o 0.485381 0.239132  -1.51724     0.835087 -0.385025    1.22034  -2.51434     1.14521  0.742227 0.344154  0.527371 0.263318  
1 1 1 42 37 25 o 0.857796 0.335326  0.807549     0.833092 0.710924     1.17515  0.905175     1.18121  0.884465 0.377007  0.922788 0.384851  
1 1 1 42 37 26 o 0.978142 0.363147  1.31063      0.945906 1.21822      1.30428  1.41317      1.37386  0.960111 0.402642  0.998028 0.415563  
1 1 1 42 37 27 o 0.769059 0.328579  0.529265     0.896311 0.527323     1.25809  0.531268     1.27728  0.824089 0.369144  0.827122 0.371189  
1 1 1 42 37 28 o 1.12601  0.373662  2.08664      0.982368 2.49388      1.38445  1.67366      1.39416  1.1118   0.432754  0.954018 0.408769  
1 1 1 42 37 29 o 0.693634 0.319278  0.230927     1.02594  -0.17811     1.45367  0.636861     1.44814  0.711354 0.342962  0.790123 0.36964   
1 1 1 42 37 30 o 0.726755 0.327723  0.765189     1.00736  0.420612     1.41353  1.1208       1.43599  0.703524 0.338943  0.771421 0.36224   
1 1 1 42 38 0  o 1.82026  0.222034  3.49896      0.781147 3.49896      0.781147 3.49896      0.781147 1.84665  0.151921  ?        ?         
1 1 1 42 38 1  o 4.20995  0.0827578 17.7877      0.696813 18.1493      0.991445 17.4346      0.979548 4.24494  0.11678   4.16028  0.117726  
1 1 1 42 38 2  o 2.08019  0.127171  4.36443      0.529081 4.54478      0.722524 4.15591      0.776898 2.11546  0.170772  2.01877  0.192419  
1 1 1 42 38 3  o 3.09158  0.105314  9.61519      0.651177 9.17915      0.993266 9.94386      0.862354 3.00755  0.165128  3.13736  0.137433  
1 1 1 42 38 4  o 4.70025  0.109494  22.2388      1.0293   21.3923      1.61564  22.8171      1.33537  4.58584  0.176155  4.75074  0.140543  
1 1 1 42 38 5  o 1.26873  0.304025  1.75766      0.762526 1.69597      1.04525  1.82784      1.11486  1.24268  0.382912  1.28577  0.395309  
1 1 1 42 38 6  o 1.51406  0.277551  2.46015      0.809118 4.66664      1.1134   -0.00918981  1.17785  2.11839  0.262794  0.854327 0.37104   
1 1 1 42 38 7  o 3.3434   0.130369  11.2895      0.871753 13.2687      1.27653  9.55984      1.19336  3.60969  0.17682   3.05796  0.195123  
1 1 1 42 38 8  o 1.75368  0.220871  3.16516      0.774674 2.35971      1.08785  3.99382      1.10342  1.44972  0.373088  1.95221  0.282608  
1 1 1 42 38 9  o 0.637796 0.285455  -0.262057    0.750908 -0.00521801  1.06291  -0.51796     1.06098  0.813128 0.352799  0.727257 0.331002  
1 1 1 42 38 10 o 3.15118  0.132309  10.0412      0.833859 9.74813      1.17898  10.3345      1.17953  3.08608  0.191016  3.17964  0.185481  
1 1 1 42 38 11 o 1.30649  0.301539  1.87578      0.772496 1.91518      1.08636  1.83547      1.0987   1.30334  0.388143  1.27821  0.39232   
1 1 1 42 38 12 o 2.01227  0.202566  4.16942      0.815235 4.01374      1.08025  4.3754       1.24255  1.95021  0.276956  2.0241   0.306939  
1 1 1 42 38 13 o 0.821974 0.32342   0.492116     0.77837  1.88281      1.07728  -1.0269      1.12589  1.28611  0.387232  0.679332 0.319465  
1 1 1 42 38 14 o 3.52333  0.128251  12.5696      0.903743 12.0043      1.26165  13.1653      1.29518  3.42058  0.184421  3.58399  0.180689  
1 1 1 42 38 15 o 3.20111  0.144366  10.4185      0.924263 9.28335      1.32367  11.4986      1.29114  2.98863  0.221452  3.34129  0.193211  
1 1 1 42 38 16 o 3.43455  0.137083  11.9906      0.941638 10.7953      1.38546  13.0167      1.2837   3.22102  0.215066  3.55751  0.180422  
1 1 1 42 38 17 o 2.23625  0.19317   5.17557      0.863952 5.03482      1.25085  5.30397      1.19471  2.16073  0.289449  2.22936  0.26795   
1 1 1 42 38 18 o 2.37928  0.186416  5.873        0.887073 6.77399      1.2791   5.0381       1.23129  2.51658  0.254134  2.15166  0.286125  
1 1 1 42 38 19 o 1.27228  0.332596  1.89824      0.855759 1.9531       1.24027  1.8484       1.18226  1.2599   0.419856  1.23212  0.409919  
1 1 1 42 38 20 o 2.18932  0.197945  5.03181      0.866728 5.31439      1.193    4.71593      1.26133  2.20468  0.270561  2.0515   0.307416  
1 1 1 42 38 21 o 0.613952 0.284615  -0.489369    0.834049 -1.24709     1.14748  0.359336     1.21441  0.640069 0.307639  0.876195 0.378589  
1 1 1 42 38 22 o 2.55018  0.175923  6.83074      0.897273 6.42424      1.29755  7.20326      1.24213  2.39443  0.270952  2.56322  0.242299  
1 1 1 42 38 23 o 1.25204  0.324596  1.93824      0.819399 2.72074      1.16789  1.17963      1.14993  1.42503  0.395863  1.00118  0.393368  
1 1 1 42 38 24 o 1.00784  0.347139  1.28214      0.848765 1.85474      1.24312  0.782099     1.16169  1.14918  0.417657  0.904589 0.379705  
1 1 1 42 38 25 o 0.821178 0.334169  0.710266     0.863947 0.293794     1.16251  1.22406      1.29121  0.792786 0.35499   0.969535 0.403232  
1 1 1 42 38 26 o 0.84184  0.34571   0.816892     0.933118 1.67026      1.33962  0.0126307    1.30051  1.03374  0.417856  0.766524 0.355366  
1 1 1 42 38 27 f 1.49878  0.322294  3.09016      0.938369 2.20815      1.35029  3.91397      1.30498  1.08457  0.426221  1.54616  0.413743  
1 1 1 42 38 28 o 0.534346 0.262189  -1.014       0.955702 -1.14781     1.30037  -0.856818    1.40933  0.607238 0.299058  0.648669 0.318318  
1 1 1 42 38 29 o 0.55944  0.273663  -0.865125    1.02384  -2.21694     1.46941  0.410421     1.42736  0.568476 0.28606   0.745429 0.353917  
1 1 1 42 39 0  o 3.75059  0.133818  14.1927      1.00089  14.1927      1.00089  14.1927      1.00089  3.75898  0.0942738 ?        ?         
1 1 1 42 39 1  o 2.28721  0.126163  5.27936      0.57712  6.3125       0.826887 4.2981       0.805861 2.4927   0.165862  2.05039  0.196514  
1 1 1 42 39 2  f 3.31517  0.0932172 11.0456      0.618061 11.309       0.848846 10.7485      0.901687 3.34729  0.126796  3.26043  0.138277  
1 1 1 42 39 3  o 4.42868  0.0937639 19.7137      0.830501 20.2288      1.17743  19.2037      1.1716   4.47509  0.131554  4.35927  0.13438   
1 1 1 42 39 4  o 3.33221  0.142221  11.2357      0.947819 12.334       1.33805  10.1295      1.34281  3.47427  0.192565  3.14073  0.213773  
1 1 1 42 39 5  o 1.53712  0.279775  2.54001      0.828286 1.91981      1.17761  3.14725      1.16524  1.31242  0.406846  1.68354  0.356929  
1 1 1 42 39 6  o 3.51372  0.132399  12.4777      0.930429 12.8661      1.30451  12.0754      1.32745  3.55053  0.183706  3.43603  0.193165  
1 1 1 42 39 7  o 3.30985  0.13177   11.0732      0.87228  11.704       1.25264  10.4793      1.21538  3.38496  0.18503   3.20119  0.189833  
1 1 1 42 39 8  o 2.23545  0.182237  5.10363      0.814765 5.56948      1.14451  4.62496      1.16016  2.31471  0.247224  2.09942  0.276305  
1 1 1 42 39 9  o 3.10237  0.138532  9.74787      0.859557 9.66203      1.20543  9.83667      1.22603  3.06909  0.196382  3.09606  0.197998  
1 1 1 42 39 10 o 4.9455   0.113103  24.6789      1.1187   23.714       1.54929  25.7301      1.61704  4.82606  0.160513  5.02684  0.160841  
1 1 1 42 39 11 o 3.24674  0.139752  10.6949      0.907479 11.8211      1.22624  9.33131      1.34931  3.39731  0.180473  2.99884  0.224972  
1 1 1 42 39 12 o 0.488924 0.238923  -1.37533     0.775125 -1.35631     1.11745  -1.39297     1.0761   0.6398   0.306555  0.619533 0.297805  
1 1 1 42 39 13 o 1.33753  0.310739  1.98888      0.816098 2.31049      1.17194  1.68609      1.13712  1.41201  0.397956  1.22627  0.402018  
1 1 1 42 39 14 o 1.20673  0.323057  1.63745      0.795388 1.55071      1.1368   1.72064      1.11327  1.18221  0.40196   1.23011  0.397613  
1 1 1 42 39 15 o 1.67206  0.246698  2.9454       0.824989 2.72667      1.17233  3.15999      1.16117  1.5272   0.383934  1.65964  0.359944  
1 1 1 42 39 16 o 2.40882  0.17906   5.9795       0.862646 3.3543       1.22317  8.57735      1.21678  1.6983   0.370382  2.86805  0.212127  
1 1 1 42 39 17 o 1.87953  0.223551  3.72401      0.840342 3.01962      1.20711  4.38642      1.17058  1.58814  0.383759  2.00371  0.292103  
1 1 1 42 39 18 o 1.11934  0.338973  1.4621       0.82391  0.464739     1.15768  2.48574      1.17283  0.897058 0.377913  1.42073  0.397365  
1 1 1 42 39 19 o 3.33097  0.149284  11.4079      0.994519 13.3739      1.42395  9.5355       1.38961  3.56806  0.199541  2.98718  0.232595  
1 1 1 42 39 20 o 0.636948 0.292117  -0.38803     0.850177 -1.54747     1.19196  0.81268      1.21298  0.627209 0.304053  0.963353 0.39464   
1 1 1 42 39 21 o 0.785412 0.323023  0.445404     0.815887 1.65785      1.1796   -0.66661     1.12969  1.14142  0.407633  0.691223 0.323986  
1 1 1 42 39 22 o 0.65287  0.294204  -0.128498    0.810456 -0.054309    1.14282  -0.203562    1.14953  0.768268 0.34761   0.748878 0.341869  
1 1 1 42 39 23 o 0.824293 0.334916  0.620389     0.866461 0.38979      1.21197  0.861466     1.2392   0.847962 0.372286  0.935945 0.392486  
1 1 1 42 39 24 o 1.13022  0.347359  1.71635      0.860911 2.06298      1.23818  1.39194      1.19785  1.16914  0.417621  1.01042  0.400055  
1 1 1 42 39 25 o 0.944713 0.356093  1.21402      0.916375 2.11954      1.29507  0.306057     1.29683  1.1414   0.424687  0.805807 0.366538  
1 1 1 42 39 26 o 0.748754 0.325433  0.460554     0.90737  0.247511     1.28711  0.671039     1.27936  0.779169 0.358214  0.836592 0.373561  
1 1 1 42 39 27 o 0.97284  0.355123  1.53601      0.89959  1.12401      1.31367  1.89982      1.23445  0.855534 0.380372  1.00044  0.402469  
1 1 1 42 39 28 o 0.647418 0.303811  -0.0694515   1.00409  -1.35773     1.39248  1.32598      1.44923  0.611799 0.303177  0.871854 0.393122  
1 1 1 42 39 29 o 0.59858  0.28787   -0.17824     1.00847  0.817464     1.4559   -1.09662     1.39822  0.734599 0.35148   0.588551 0.293454  
1 1 1 42 40 0  o 3.55207  0.140129  12.7509      0.99198  12.7509      0.99198  12.7509      0.99198  3.56146  0.0986469 ?        ?         
1 1 1 42 40 1  o 4.5057   0.0833432 20.3873      0.751039 20.4554      1.05159  20.3164      1.073    4.50397  0.11674   4.48773  0.119548  
1 1 1 42 40 2  o 3.55907  0.0938351 12.7353      0.667931 12.7881      0.900275 12.6706      0.996183 3.55851  0.126496  3.538    0.140783  
1 1 1 42 40 3  o 1.1246   0.324943  1.38261      0.77193  -0.060699    1.12554  2.66439      1.06069  0.825073 0.360522  1.54679  0.350859  
1 1 1 42 40 4  o 1.42355  0.320511  2.23213      0.890534 0.852757     1.28551  3.50489      1.23483  1.04922  0.414745  1.77438  0.360503  
1 1 1 42 40 5  f 2.41663  0.177967  5.9582       0.860161 7.40262      1.26438  4.71376      1.17359  2.67306  0.236504  2.11945  0.276863  
1 1 1 42 40 6  o 1.62829  0.255515  2.76467      0.832103 4.55974      1.17008  0.927953     1.18358  2.08196  0.281005  1.04151  0.401212  
1 1 1 42 40 7  f 3.19658  0.138914  10.3514      0.888099 10.449       1.21873  10.241       1.29683  3.19338  0.190821  3.15539  0.205495  
1 1 1 42 40 8  o 1.3073   0.312349  1.89382      0.806683 2.03397      1.17698  1.76965      1.10781  1.335    0.405316  1.25508  0.39572   
1 1 1 42 40 9  o 1.81337  0.229726  3.41751      0.833157 3.94032      1.16073  2.86189      1.19661  1.92107  0.302105  1.57962  0.382329  
1 1 1 42 40 10 o 2.31499  0.176689  5.48516      0.818066 4.21208      1.13023  6.88601      1.18559  1.99293  0.283561  2.57324  0.23037   
1 1 1 42 40 11 o 1.83449  0.213627  3.48241      0.783792 3.9935       1.14072  3.02534      1.07877  1.93525  0.294722  1.64369  0.339708  
1 1 1 42 40 12 f 3.33174  0.133115  11.254       0.887009 10.6272      1.26982  11.8513      1.23956  3.21127  0.197714  3.3987   0.182358  
1 1 1 42 40 13 o 0.768132 0.316643  0.295879     0.785766 0.137126     1.10462  0.4585       1.11799  0.840241 0.362036  0.907569 0.376194  
1 1 1 42 40 14 o 1.74387  0.230883  3.18416      0.805261 2.49701      1.13793  3.87346      1.1397   1.46048  0.384334  1.89374  0.300912  
1 1 1 42 40 15 o 1.50423  0.302559  2.53303      0.878237 0.856789     1.23278  4.26043      1.25146  1.01     0.403904  1.9694   0.317725  
1 1 1 42 40 16 o 1.67978  0.255117  3.02375      0.857084 2.96292      1.23009  3.08116      1.19487  1.56484  0.393205  1.60709  0.377716  
1 1 1 42 40 17 o 0.730842 0.316219  0.0920774    0.849452 0.406464     1.18403  -0.241352    1.21936  0.891847 0.379238  0.794836 0.359377  
1 1 1 42 40 18 o 2.43887  0.184353  6.20375      0.899229 6.00481      1.23599  6.42748      1.3107   2.3495   0.263031  2.42538  0.270206  
1 1 1 42 40 19 o 1.37403  0.329526  2.24417      0.895243 2.3489       1.31307  2.15319      1.22377  1.34115  0.431654  1.29536  0.416698  
1 1 1 42 40 20 o 0.714414 0.308488  0.150249     0.805341 -0.400973    1.13756  0.704117     1.14029  0.729037 0.335827  0.9156   0.37975   
1 1 1 42 40 21 o 1.84574  0.227578  3.72749      0.8401   3.94339      1.19924  3.51944      1.17722  1.78302  0.348733  1.66684  0.363219  
1 1 1 42 40 22 o 1.57363  0.293956  2.94058      0.890805 3.02199      1.24896  2.85628      1.2709   1.48375  0.408264  1.42948  0.418208  
1 1 1 42 40 23 o 0.921569 0.343562  1.04945      0.84837  2.5544       1.23651  -0.289067    1.16614  1.31057  0.418587  0.721007 0.335125  
1 1 1 42 40 24 o 0.883875 0.34085   0.990025     0.854705 1.07189      1.15071  0.889281     1.27653  0.919396 0.381412  0.894366 0.387317  
1 1 1 42 40 25 o 0.583486 0.278214  -0.596595    0.892292 -1.49008     1.2537   0.320618     1.27024  0.605925 0.298268  0.794896 0.361892  
1 1 1 42 40 26 o 0.449094 0.225261  -1.88166     0.881048 -3.5716      1.25183  -0.222877    1.24023  ?        ?         0.687369 0.327807  
1 1 1 42 40 27 o 0.873164 0.352039  1.21885      0.947402 -0.112159    1.2878   2.78904      1.39873  0.693986 0.331692  1.13632  0.436514  
1 1 1 42 40 28 o 0.547341 0.268745  -0.811187    1.00694  -1.68722     1.43298  0.0432808    1.41523  0.572608 0.287243  0.682844 0.331113  
1 1 1 42 41 0  o 1.0622   0.401968  1.57919      0.797488 1.57919      0.797488 1.57919      0.797488 1.15646  0.281656  ?        ?         
1 1 1 42 41 1  o 3.63862  0.0910392 13.3119      0.662515 13.411       0.966564 13.2241      0.909878 3.64094  0.132735  3.61761  0.125757  
1 1 1 42 41 2  f 1.79934  0.154256  3.28876      0.555119 2.69932      0.773568 3.91456      0.797073 1.61237  0.239885  1.95162  0.204208  
1 1 1 42 41 3  o 0.784282 0.316953  0.351609     0.770526 -0.889564    1.10843  1.51224      1.07186  0.692292 0.323685  1.17974  0.390312  
1 1 1 42 41 4  o 3.32336  0.146138  11.2067      0.971338 10.9687      1.44344  11.4036      1.31315  3.25748  0.221557  3.33281  0.197003  
1 1 1 42 41 5  o 2.75553  0.155436  7.72254      0.856615 6.46454      1.31958  8.63877      1.12616  2.48142  0.265892  2.90088  0.194106  
1 1 1 42 41 6  o 3.98155  0.12053   16.0214      0.959792 16.8368      1.31495  15.0916      1.40414  4.06464  0.161754  3.83821  0.182916  
1 1 1 42 41 7  o 2.04404  0.201892  4.30533      0.82535  3.54265      1.19363  5.00407      1.14249  1.7799   0.34771   2.18196  0.261804  
1 1 1 42 41 8  o 2.9071   0.148773  8.59223      0.864998 8.3801       1.2645   8.7788       1.18586  2.84233  0.222441  2.91785  0.203208  
1 1 1 42 41 9  o 2.27756  0.18158   5.3175       0.827119 4.43854      1.12627  6.34651      1.21862  2.04861  0.274888  2.46242  0.247444  
1 1 1 42 41 10 o 1.97765  0.196606  4.02751      0.777636 3.60729      1.08192  4.47661      1.11847  1.83893  0.294172  2.05803  0.271734  
1 1 1 42 41 11 o 0.711234 0.302188  0.112459     0.750683 1.01972      1.06587  -0.780479    1.05743  1.02915  0.38481   0.680825 0.317478  
1 1 1 42 41 12 o 1.37069  0.295944  2.08926      0.788234 1.34146      1.11267  2.84263      1.1168   1.11746  0.396217  1.57173  0.362434  
1 1 1 42 41 13 o 3.12514  0.150629  9.96662      0.941475 7.56223      1.32351  12.4296      1.33953  2.67692  0.247207  3.46751  0.193155  
1 1 1 42 41 14 o 2.32185  0.196562  5.60332      0.912775 4.45324      1.40981  6.43335      1.19769  1.95505  0.373904  2.46378  0.24306   
1 1 1 42 41 15 o 1.33747  0.33524   2.08595      0.895826 1.53083      1.25955  2.6542       1.27436  1.15639  0.420395  1.46321  0.41582   
1 1 1 42 41 16 o 0.967418 0.349065  0.999804     0.866959 1.25934      1.22442  0.738876     1.22771  1.07949  0.410225  0.96574  0.39656   
1 1 1 42 41 17 o 0.710266 0.310678  0.0235116    0.837621 0.153375     1.15607  -0.119999    1.2153   0.834805 0.365072  0.807207 0.362166  
1 1 1 42 41 18 o 2.9358   0.150198  8.89096      0.881904 8.68982      1.27788  9.07389      1.21863  2.84921  0.224251  2.9247   0.208334  
1 1 1 42 41 19 o 1.0591   0.342528  1.35361      0.826087 1.96773      1.19106  0.784369     1.14672  1.2273   0.411442  0.933662 0.3833    
1 1 1 42 41 20 f 0.8614   0.33422   0.764869     0.824403 1.5694       1.13258  -0.141768    1.20231  1.10061  0.398788  0.772519 0.351805  
1 1 1 42 41 21 o 0.830772 0.334844  0.646639     0.856743 0.0323796    1.23391  1.21843      1.19049  0.799563 0.361514  1.00819  0.398934  
1 1 1 42 41 22 o 0.689721 0.30561   0.0862228    0.83875  0.347483     1.18766  -0.173732    1.18469  0.819697 0.363373  0.743129 0.342468  
1 1 1 42 41 23 o 0.976066 0.339464  1.27864      0.81333  0.371964     1.13746  2.22717      1.16342  0.79459  0.35359   1.20553  0.406639  
1 1 1 42 41 24 o 0.719994 0.317546  0.281381     0.891443 -1.01486     1.24081  1.66416      1.28156  0.642931 0.311309  1.03122  0.412055  
1 1 1 42 41 25 o 0.664208 0.302221  0.126612     0.883131 -0.286646    1.24415  0.54629      1.25378  0.686907 0.327762  0.787524 0.358804  
1 1 1 42 41 26 o 0.925532 0.357822  1.44679      0.943194 0.694967     1.31422  2.24533      1.35444  0.782715 0.360709  1.02696  0.418242  
1 1 1 42 41 27 o 0.649103 0.303825  0.0523301    0.981    -1.21134     1.39466  1.28982      1.38014  0.611569 0.303148  0.846706 0.382609  
1 1 1 42 42 0  o 1.92107  0.353289  4.17974      1.22015  4.17974      1.22015  4.17974      1.22015  1.99099  0.22305   ?        ?         
1 1 1 42 42 1  o 2.43534  0.174227  6.08661      0.838626 6.08661      0.838626 6.08661      0.838626 2.45151  0.121628  ?        ?         
1 1 1 42 42 2  o 0.441051 0.302171  -0.379071    0.804964 -0.379071    0.804964 -0.379071    0.804964 0.353793 0.245717  ?        ?         
1 1 1 42 42 3  o 0.632062 0.405273  0.232158     1.11836  0.232158     1.11836  0.232158     1.11836  0.553307 0.348239  ?        ?         
1 1 1 42 42 4  o 1.91134  0.348209  4.13078      1.1989   4.13078      1.1989   4.13078      1.1989   1.97987  0.220312  ?        ?         
1 1 1 42 42 5  o 1.06101  0.470608  1.72701      1.04665  1.72701      1.04665  1.72701      1.04665  1.15316  0.365845  ?        ?         
1 1 1 42 42 6  o 4.05964  0.176473  16.7669      1.42667  16.7669      1.42667  16.7669      1.42667  4.07728  0.123971  ?        ?         
1 1 1 42 42 7  o 1.74987  0.365633  3.55513      1.12723  3.55513      1.12723  3.55513      1.12723  1.82866  0.225693  ?        ?         
1 1 1 42 42 8  o 2.3182   0.268581  5.72786      1.20727  5.72786      1.20727  5.72786      1.20727  2.35733  0.18363   ?        ?         
1 1 1 42 42 9  o 0.671003 0.418308  0.450785     1.10777  0.450785     1.10777  0.450785     1.10777  0.606929 0.365174  ?        ?         
1 1 1 42 42 10 f 0.843278 0.462581  1.13588      1.10296  1.13588      1.10296  1.13588      1.10296  0.852327 0.404849  ?        ?         
1 1 1 42 42 11 o 0.492315 0.341923  -0.657844    1.10209  -0.657844    1.10209  -0.657844    1.10209  0.392803 0.275851  ?        ?         
1 1 1 42 42 12 o 0.54054  0.367106  -0.357131    1.14515  -0.357131    1.14515  -0.357131    1.14515  0.443362 0.303568  ?        ?         
1 1 1 42 42 13 o 1.82358  0.401938  3.98826      1.28083  3.98826      1.28083  3.98826      1.28083  1.92459  0.244119  ?        ?         
1 1 1 42 42 14 o 1.03444  0.508262  1.804        1.24108  1.804        1.24108  1.804        1.24108  1.12008  0.420877  ?        ?         
1 1 1 42 42 15 o 0.75678  0.458194  0.813967     1.25076  0.813967     1.25076  0.813967     1.25076  0.719084 0.406358  ?        ?         
1 1 1 42 42 16 o 1.05701  0.495621  1.85971      1.16554  1.85971      1.16554  1.85971      1.16554  1.16197  0.396163  ?        ?         
1 1 1 42 42 17 o 1.12992  0.489063  2.05156      1.1316   2.05156      1.1316   2.05156      1.1316   1.25872  0.366546  ?        ?         
1 1 1 42 42 18 o 0.820823 0.463242  1.16711      1.14761  1.16711      1.14761  1.16711      1.14761  0.837391 0.411062  ?        ?         
1 1 1 42 42 19 o 0.374986 0.276079  -2.36466     1.20184  -2.36466     1.20184  -2.36466     1.20184  0.282092 0.209956  ?        ?         
1 1 1 42 42 20 o 1.50204  0.465906  3.17604      1.22242  3.17604      1.22242  3.17604      1.22242  1.66322  0.284971  ?        ?         
1 1 1 42 42 21 o 0.625999 0.405838  0.38027      1.16801  0.38027      1.16801  0.38027      1.16801  0.568248 0.356949  ?        ?         
1 1 1 42 42 22 o 0.54074  0.366423  -0.0732966   1.13218  -0.0732966   1.13218  -0.0732966   1.13218  0.465274 0.312926  ?        ?         
1 1 1 42 42 23 o 0.593772 0.39567   0.233397     1.21823  0.233397     1.21823  0.233397     1.21823  0.532073 0.346342  ?        ?         
1 1 1 42 42 24 o 0.430383 0.31129   -1.29693     1.23914  -1.29693     1.23914  -1.29693     1.23914  0.343489 0.25017   ?        ?         
1 1 1 42 42 25 o 0.464752 0.332372  -0.810859    1.27166  -0.810859    1.27166  -0.810859    1.27166  0.384077 0.275751  ?        ?         
1 1 1 42 42 26 o 0.527397 0.368776  -0.234166    1.36312  -0.234166    1.36312  -0.234166    1.36312  0.458563 0.318588  ?        ?         
1 1 1 42 42 27 o 0.700327 0.450627  1.39652      1.40008  1.39652      1.40008  1.39652      1.40008  0.749635 0.427621  ?        ?         
1 1 1 43 0  0  o 7.0706   0.154593  50.0799      2.18377  50.0799      2.18377  50.0799      2.18377  7.07366  0.109207  ?        ?         
1 1 1 43 0  1  o 13.4472  0.151337  180.948      4.06898  180.948      4.06898  180.948      4.06898  13.4494  0.106979  ?        ?         
1 1 1 43 0  2  o 6.47624  0.0928858 41.9721      1.20254  41.9721      1.20254  41.9721      1.20254  6.47741  0.065653  ?        ?         
1 1 1 43 0  3  o 17.0497  0.176453  290.901      6.0155   290.901      6.0155   290.901      6.0155   17.0527  0.124734  ?        ?         
1 1 1 43 0  4  o 6.42826  0.106256  41.3625      1.36524  41.3625      1.36524  41.3625      1.36524  6.42981  0.0750927 ?        ?         
1 1 1 43 0  5  o 24.2607  0.240106  589.217      11.6477  589.217      11.6477  589.217      11.6477  24.2672  0.169717  ?        ?         
1 1 1 43 0  6  o 4.22252  0.105941  17.8661      0.893399 17.8661      0.893399 17.8661      0.893399 4.22468  0.0748193 ?        ?         
1 1 1 43 0  7  o 3.47046  0.122728  12.0919      0.849429 12.0919      0.849429 12.0919      0.849429 3.47391  0.0865712 ?        ?         
1 1 1 43 0  8  o 1.34053  0.325364  2.08699      0.755295 2.08699      0.755295 2.08699      0.755295 1.40209  0.202919  ?        ?         
1 1 1 43 0  9  o 5.34226  0.109114  28.5812      1.16473  28.5812      1.16473  28.5812      1.16473  5.3442   0.0770909 ?        ?         
1 1 1 43 0  10 o 11.0573  0.133898  122.36       2.96013  122.36       2.96013  122.36       2.96013  11.0595  0.0946462 ?        ?         
1 1 1 43 0  11 o 1.37271  0.338533  2.19875      0.803818 2.19875      0.803818 2.19875      0.803818 1.43792  0.211159  ?        ?         
1 1 1 43 0  12 o 10.3513  0.13306   107.249      2.75367  107.249      2.75367  107.249      2.75367  10.3537  0.0940486 ?        ?         
1 1 1 43 0  13 o 6.41924  0.108941  41.2554      1.39772  41.2554      1.39772  41.2554      1.39772  6.42114  0.0769848 ?        ?         
1 1 1 43 0  14 o 9.52015  0.115702  90.7096      2.20228  90.7096      2.20228  90.7096      2.20228  9.52215  0.0817832 ?        ?         
1 1 1 43 0  15 o 9.74987  0.117648  95.1457      2.29335  95.1457      2.29335  95.1457      2.29335  9.75205  0.0831574 ?        ?         
1 1 1 43 0  16 o 3.95025  0.137708  15.6727      1.08496  15.6727      1.08496  15.6727      1.08496  3.95457  0.0971319 ?        ?         
1 1 1 43 0  17 o 1.43285  0.34803   2.391        0.863507 2.391        0.863507 2.391        0.863507 1.49986  0.21682   ?        ?         
1 1 1 43 0  18 o 1.68265  0.286038  3.07524      0.879052 3.07524      0.879052 3.07524      0.879052 1.72287  0.185289  ?        ?         
1 1 1 43 0  19 f 0.565372 0.356867  0.177058     0.837722 0.177058     0.837722 0.177058     0.837722 0.490167 0.305696  ?        ?         
1 1 1 43 0  20 o 0.950143 0.426277  1.32057      0.858752 1.32057      0.858752 1.32057      0.858752 1.01111  0.337817  ?        ?         
1 1 1 43 0  21 o 2.30038  0.196611  5.42248      0.889359 5.42248      0.889359 5.42248      0.889359 2.31485  0.136931  ?        ?         
1 1 1 43 0  22 o 4.75659  0.123861  22.7028      1.1765   22.7028      1.1765   22.7028      1.1765   4.76067  0.08744   ?        ?         
1 1 1 43 0  23 o 4.54827  0.129359  20.7724      1.17457  20.7724      1.17457  20.7724      1.17457  4.55299  0.0912917 ?        ?         
1 1 1 43 0  24 o 3.64309  0.147058  13.3701      1.06753  13.3701      1.06753  13.3701      1.06753  3.64984  0.103598  ?        ?         
1 1 1 43 0  25 o 4.97278  0.138433  24.8514      1.37438  24.8514      1.37438  24.8514      1.37438  4.97899  0.0976783 ?        ?         
1 1 1 43 0  26 o 1.06616  0.459173  1.6605       0.998516 1.6605       0.998516 1.6605       0.998516 1.14799  0.352552  ?        ?         
1 1 1 43 0  27 o 0.60745  0.396236  0.00968878   1.13449  0.00968878   1.13449  0.00968878   1.13449  0.513767 0.334346  ?        ?         
1 1 1 43 0  28 o 0.858901 0.48684   1.06053      1.27387  1.06053      1.27387  1.06053      1.27387  0.833417 0.428404  ?        ?         
1 1 1 43 0  29 o 0.911519 0.477243  1.28201      1.13143  1.28201      1.13143  1.28201      1.13143  0.930709 0.411448  ?        ?         
1 1 1 43 0  30 o 0.871868 0.472901  1.16743      1.14233  1.16743      1.14233  1.16743      1.14233  0.875044 0.412413  ?        ?         
1 1 1 43 0  31 o 2.56679  0.239854  6.86623      1.2066   6.86623      1.2066   6.86623      1.2066   2.59431  0.165994  ?        ?         
1 1 1 43 0  32 o 0.713875 0.437423  0.570768     1.17016  0.570768     1.17016  0.570768     1.17016  0.653765 0.383392  ?        ?         
1 1 1 43 0  33 o 0.903245 0.486181  1.308        1.19989  1.308        1.19989  1.308        1.19989  0.921666 0.423357  ?        ?         
1 1 1 43 0  34 o 0.589198 0.392818  -0.1285      1.20433  -0.1285      1.20433  -0.1285      1.20433  0.494668 0.329926  ?        ?         
1 1 1 43 0  35 o 1.99444  0.359508  4.56361      1.29459  4.56361      1.29459  4.56361      1.29459  2.07413  0.226869  ?        ?         
1 1 1 43 0  36 f 0.963146 0.502499  1.60155      1.2509   1.60155      1.2509   1.60155      1.2509   1.02225  0.431252  ?        ?         
1 1 1 43 0  37 o 0.711661 0.443213  0.663588     1.23987  0.663588     1.23987  0.663588     1.23987  0.665526 0.3927    ?        ?         
1 1 1 43 0  38 o 0.622402 0.41513   0.0963209    1.34842  0.0963209    1.34842  0.0963209    1.34842  0.543393 0.357927  ?        ?         
1 1 1 43 0  39 o 0.423272 0.309265  -2.07599     1.3704   -2.07599     1.3704   -2.07599     1.3704   0.326394 0.241315  ?        ?         
1 1 1 43 0  40 o 0.68789  0.46657   0.398814     1.84151  0.398814     1.84151  0.398814     1.84151  0.628818 0.415727  ?        ?         
1 1 1 43 0  41 o 0.712371 0.476599  1.08512      1.8101   1.08512      1.8101   1.08512      1.8101   0.705111 0.443487  ?        ?         
1 1 1 43 0  42 o 0.443832 0.327843  -2.37253     1.77276  -2.37253     1.77276  -2.37253     1.77276  0.359062 0.266044  ?        ?         
1 1 1 43 1  0  o 17.3442  0.179897  301.044      6.23881  301.044      6.23881  301.044      6.23881  17.3474  0.127167  ?        ?         
1 1 1 43 1  1  o 4.93925  0.0713762 24.3994      0.70509  24.9633      0.999429 23.8407      0.994882 4.99567  0.10003   4.88203  0.101892  
1 1 1 43 1  2  o 7.8992   0.072341  62.4061      1.14287  63.1597      1.58929  61.599       1.64467  7.94625  0.100002  7.84735  0.104791  
1 1 1 43 1  3  o 9.49241  0.0793356 90.1211      1.50617  90.2572      2.19733  90.0005      2.06859  9.49865  0.115665  9.48533  0.109042  
1 1 1 43 1  4  o 18.2834  0.128411  334.433      4.69556  335.877      6.59097  332.945      6.69121  18.3187  0.179897  18.2383  0.183439  
1 1 1 43 1  5  o 16.2068  0.114217  262.758      3.7022   267.436      5.20355  257.962      5.26844  16.3475  0.159154  16.055   0.164075  
1 1 1 43 1  6  f 13.2619  0.102163  175.933      2.70976  179.013      3.84907  172.906      3.81551  13.3755  0.143885  13.1452  0.145129  
1 1 1 43 1  7  o 7.013    0.0731021 49.1903      1.02533  48.2242      1.40198  50.3013      1.5034   6.94326  0.10096   7.0911   0.106006  
1 1 1 43 1  8  o 6.27764  0.0778172 39.4167      0.977016 38.7495      1.38115  40.085       1.38227  6.22363  0.11096   6.33001  0.109184  
1 1 1 43 1  9  o 7.59878  0.0834716 57.7563      1.26856  56.6605      1.90936  58.6222      1.69734  7.52507  0.126866  7.65477  0.110868  
1 1 1 43 1  10 o 6.54256  0.0785301 42.8161      1.02758  43.2501      1.47735  42.4093      1.43022  6.57473  0.112351  6.51059  0.109838  
1 1 1 43 1  11 o 4.85238  0.078657  23.5524      0.763348 23.9679      1.01617  23.0143      1.15646  4.89446  0.103808  4.79569  0.120572  
1 1 1 43 1  12 o 11.0584  0.0976628 122.347      2.15998  126.723      3.18829  118.635      2.93657  11.2514  0.141684  10.8869  0.134867  
1 1 1 43 1  13 o 6.31264  0.0762867 39.8627      0.963142 38.4391      1.36184  41.2872      1.36233  6.19781  0.109865  6.42347  0.106043  
1 1 1 43 1  14 o 10.7807  0.0901915 116.284      1.94466  115.262      2.79144  117.248      2.71067  10.7302  0.130074  10.8227  0.125231  
1 1 1 43 1  15 f 1.08747  0.277804  1.23496      0.606471 0.462356     0.840209 2.07534      0.876286 0.865093 0.337047  1.40771  0.318625  
1 1 1 43 1  16 o 3.40571  0.102246  11.609       0.696442 11.1805      0.949133 12.1088      1.02508  3.3409   0.142047  3.4766   0.147426  
1 1 1 43 1  17 o 1.36109  0.222724  1.86196      0.606295 1.76812      0.89976  1.94001      0.820562 1.29855  0.341771  1.3596   0.308736  
1 1 1 43 1  18 o 6.73384  0.08297   45.3796      1.11741  43.4759      1.54758  47.4531      1.6151   6.58853  0.117445  6.8833   0.11732   
1 1 1 43 1  19 o 1.22348  0.250699  1.56374      0.592323 1.60667      0.83911  1.52111      0.83624  1.2375   0.332053  1.20652  0.334911  
1 1 1 43 1  20 o 4.61637  0.083451  21.3324      0.770481 22.8286      1.10486  19.916       1.07501  4.77325  0.115734  4.45799  0.120571  
1 1 1 43 1  21 o 3.08505  0.108149  9.53601      0.667289 10.1216      0.953414 8.97374      0.934256 3.17545  0.150122  2.98951  0.156256  
1 1 1 43 1  22 o 1.92456  0.169109  3.7242       0.650923 3.35882      0.918941 4.09213      0.922155 1.82167  0.252225  2.01283  0.229069  
1 1 1 43 1  23 o 4.78172  0.088479  22.9026      0.846164 22.5097      1.19799  23.2938      1.19532  4.73651  0.126464  4.81862  0.124032  
1 1 1 43 1  24 o 6.90525  0.0831935 47.763       1.14894  48.3189      1.63904  47.226       1.61103  6.93939  0.118097  6.8606   0.117412  
1 1 1 43 1  25 o 5.38894  0.0951735 29.1157      1.02577  29.8843      1.44063  28.3252      1.46089  5.45321  0.13209   5.30794  0.137613  
1 1 1 43 1  26 o 2.94473  0.134975  8.72196      0.79493  8.21509      1.10275  9.27028      1.14696  2.84898  0.193534  3.02718  0.189443  
1 1 1 43 1  27 o 3.93565  0.121967  15.5722      0.960037 16.339       1.44755  14.9701      1.28273  4.01861  0.180106  3.84981  0.166597  
1 1 1 43 1  28 o 1.1168   0.341234  1.31686      0.832466 1.07464      1.1619   1.57235      1.1933   1.09625  0.403256  1.23453  0.411828  
1 1 1 43 1  29 o 4.11076  0.115382  17.0014      0.948612 18.2727      1.37441  15.8448      1.31092  4.24927  0.161723  3.95575  0.165698  
1 1 1 43 1  30 o 2.11851  0.195451  4.57921      0.828129 4.45278      1.1469   4.71693      1.19701  2.0682   0.27727   2.12743  0.281327  
1 1 1 43 1  31 o 1.71194  0.241838  3.03346      0.828025 2.72348      1.18067  3.33348      1.16157  1.55453  0.381976  1.73893  0.346271  
1 1 1 43 1  32 o 1.26848  0.327524  1.79036      0.836417 1.79923      1.18009  1.7814       1.18568  1.26865  0.409302  1.26383  0.410511  
1 1 1 43 1  33 o 1.26532  0.330912  1.79681      0.846893 2.1344       1.19753  1.45904      1.19785  1.35898  0.40809   1.16794  0.411406  
1 1 1 43 1  34 o 1.92275  0.232662  3.87279      0.8947   4.06501      1.2594   3.67692      1.27128  1.89811  0.344441  1.78961  0.367802  
1 1 1 43 1  35 o 1.46061  0.308133  2.42426      0.872086 1.42001      1.23911  3.40994      1.2276   1.13052  0.416383  1.69741  0.371795  
1 1 1 43 1  36 o 0.953928 0.350417  0.960324     0.877099 0.837446     1.23302  1.08619      1.24793  0.981571 0.39929   1.03717  0.409063  
1 1 1 43 1  37 o 1.07956  0.355262  1.42046      0.888003 1.82854      1.24122  0.9926       1.27095  1.18681  0.418714  0.994799 0.405146  
1 1 1 43 1  38 o 0.747735 0.328723  0.16009      0.94753  0.279039     1.35354  0.0457806    1.32688  0.862024 0.384596  0.823444 0.373463  
1 1 1 43 1  39 o 0.651258 0.304406  -0.367697    0.97938  0.0148608    1.37535  -0.761249    1.39497  0.795187 0.367424  0.71665  0.343169  
1 1 1 43 1  40 o 0.870354 0.384408  0.821171     1.31269  1.83501      1.84321  -0.222261    1.86992  1.02919  0.454914  0.820543 0.393976  
1 1 1 43 1  41 o 0.742525 0.347552  0.378988     1.28364  0.474023     1.86012  0.292583     1.77365  0.795843 0.384621  0.776793 0.375442  
1 1 1 43 1  42 o 0.791893 0.363069  1.28802      1.31224  2.68408      1.95995  0.153783     1.76663  0.873116 0.414627  0.698165 0.344884  
1 1 1 43 2  0  f 19.6217  0.205732  385.361      8.0716   385.361      8.0716   385.361      8.0716   19.6261  0.145423  ?        ?         
1 1 1 43 2  1  o 8.47754  0.0781281 71.8808      1.32467  72.6087      1.90676  71.2018      1.84167  8.51959  0.111904  8.43672  0.109146  
1 1 1 43 2  2  o 7.34381  0.0725876 53.9395      1.06614  55.5608      1.48907  52.2342      1.52715  7.45287  0.0998988 7.22619  0.105668  
1 1 1 43 2  3  o 9.8515   0.0808347 97.07        1.59269  97.3248      2.29336  96.8327      2.21355  9.86343  0.116256  9.83859  0.112494  
1 1 1 43 2  4  o 9.70963  0.0802237 94.2946      1.55789  92.9999      2.11798  95.8207      2.29957  9.64195  0.109832  9.78683  0.117483  
1 1 1 43 2  5  o 2.20338  0.131375  4.85738      0.578939 4.35333      0.782122 5.46829      0.861043 2.08536  0.187527  2.33724  0.184201  
1 1 1 43 2  6  f 4.01439  0.0839211 16.1189      0.673785 17.1811      0.928828 14.9392      0.978892 4.14419  0.112064  3.86415  0.126663  
1 1 1 43 2  7  o 7.87467  0.0846466 62.0252      1.33313  64.4901      1.96792  59.9346      1.81233  8.02857  0.122557  7.73998  0.117076  
1 1 1 43 2  8  o 2.33973  0.128044  5.4776       0.59918  4.70016      0.812968 6.40213      0.886541 2.16659  0.187614  2.52883  0.175287  
1 1 1 43 2  9  o 5.6988   0.0752852 32.4838      0.858071 31.6777      1.12932  33.5848      1.31981  5.62714  0.100346  5.7937   0.113901  
1 1 1 43 2  10 o 10.1125  0.0881549 102.298      1.78293  102.34       2.51481  102.256      2.52814  10.1128  0.124338  10.1086  0.125049  
1 1 1 43 2  11 o 16.8459  0.122513  283.995      4.1277   281.236      5.78742  286.852      5.88881  16.7578  0.172679  16.9241  0.173978  
1 1 1 43 2  12 o 9.46527  0.0827716 89.6248      1.56691  89.7319      2.25137  89.5242      2.18215  9.46907  0.11888   9.45831  0.115356  
1 1 1 43 2  13 o 2.20084  0.145472  4.84984      0.64032  5.47679      0.883715 4.15686      0.929086 2.33774  0.18901   2.03565  0.228204  
1 1 1 43 2  14 o 9.3487   0.0862037 87.4416      1.61178  86.8198      2.27304  88.0705      2.28583  9.31302  0.122036  9.37987  0.121848  
1 1 1 43 2  15 o 7.15795  0.0774633 51.2597      1.10896  50.4521      1.50047  52.2319      1.64626  7.09991  0.105668  7.22355  0.113951  
1 1 1 43 2  16 o 2.93428  0.109356  8.61933      0.641764 7.56296      0.88399  9.79655      0.933189 2.74686  0.160909  3.12679  0.149225  
1 1 1 43 2  17 o 7.99542  0.0816204 63.9719      1.30518  65.3455      1.94545  62.8476      1.76004  8.07747  0.120425  7.92249  0.111079  
1 1 1 43 2  18 o 1.71796  0.175371  2.96203      0.602562 2.66847      0.854604 3.25226      0.849721 1.62695  0.262639  1.7975   0.236362  
1 1 1 43 2  19 o 2.64039  0.116467  6.98454      0.615033 6.85948      0.858517 7.11637      0.881516 2.61426  0.164199  2.66268  0.165532  
1 1 1 43 2  20 o 4.8437   0.0817037 23.4851      0.791497 22.8242      1.10741  24.1753      1.13168  4.77256  0.116018  4.91186  0.115198  
1 1 1 43 2  21 o 4.08504  0.0893429 16.7109      0.729938 17.749       1.05173  15.7461      1.01389  4.20718  0.124993  3.96242  0.127937  
1 1 1 43 2  22 o 1.53247  0.208261  2.36871      0.638308 2.33803      0.905713 2.39899      0.899725 1.4872   0.314222  1.50815  0.308933  
1 1 1 43 2  23 o 5.03402  0.0853844 25.3819      0.859654 27.3891      1.22552  23.4376      1.20618  5.22563  0.11726   4.83304  0.124785  
1 1 1 43 2  24 o 4.29577  0.0991707 18.5003      0.852028 18.8196      1.15952  18.1255      1.25617  4.32823  0.133949  4.24554  0.14794   
1 1 1 43 2  25 o 0.703485 0.29349   0.120799     0.687322 -0.430949    0.963542 0.692401     0.980725 0.713794 0.321272  0.959884 0.366447  
1 1 1 43 2  26 o 3.17081  0.127447  10.1085      0.808224 10.5476      1.16716  9.70385      1.12028  3.22999  0.180676  3.09808  0.180803  
1 1 1 43 2  27 o 1.18317  0.335534  1.49698      0.830606 2.2624       1.23941  0.872951     1.11909  1.43995  0.410356  1.0381   0.39286   
1 1 1 43 2  28 o 2.33926  0.181726  5.54407      0.850208 5.46598      1.19312  5.62463      1.21185  2.30732  0.258552  2.34049  0.258888  
1 1 1 43 2  29 o 4.31492  0.113997  18.7387      0.983774 18.3444      1.39821  19.1253      1.38442  4.25483  0.164309  4.34617  0.159269  
1 1 1 43 2  30 o 5.82804  0.102362  34.1641      1.19313  32.4625      1.60698  36.2545      1.78112  5.66583  0.141813  5.98424  0.148817  
1 1 1 43 2  31 o 1.32298  0.314593  1.92488      0.821352 2.51246      1.17168  1.35717      1.15171  1.48924  0.389113  1.14837  0.403518  
1 1 1 43 2  32 f 2.99145  0.150964  9.09531      0.903204 10.1384      1.28809  8.08641      1.26683  3.13704  0.205303  2.79263  0.226816  
1 1 1 43 2  33 f 1.76911  0.241399  3.26978      0.854121 3.77491      1.22086  2.78553      1.19536  1.83772  0.344883  1.55381  0.385915  
1 1 1 43 2  34 o 1.12777  0.35091   1.43152      0.874964 1.70813      1.22898  1.14721      1.24597  1.22523  0.417939  1.08498  0.413377  
1 1 1 43 2  35 o 1.01548  0.350706  1.14174      0.866797 -0.552083    1.21701  2.88564      1.23486  0.754093 0.347364  1.53588  0.398616  
1 1 1 43 2  36 o 1.42847  0.316549  2.37686      0.880411 2.36058      1.23832  2.3935       1.25197  1.36133  0.416233  1.36918  0.418497  
1 1 1 43 2  37 o 3.2284   0.155783  10.8385      1.00586  9.78389      1.37472  12.0537      1.47564  3.00004  0.229117  3.33927  0.220952  
1 1 1 43 2  38 o 0.728224 0.323413  0.0641491    0.946578 0.0654703    1.33889  0.0628289    1.33844  0.825912 0.374815  0.825472 0.374652  
1 1 1 43 2  39 o 0.82711  0.349484  0.677118     0.994918 3.00569      1.42119  -1.5609      1.39328  1.34598  0.449435  0.645863 0.3168    
1 1 1 43 2  40 f 0.62929  0.30797   -1.21709     1.30044  -2.85815     1.78561  0.636491     1.89771  0.634734 0.31937   0.877233 0.413178  
1 1 1 43 2  41 o 0.749304 0.34702   0.454714     1.23598  -0.286247    1.83191  1.07384      1.67454  0.744265 0.364538  0.843185 0.395076  
1 1 1 43 3  0  o 2.78154  0.149354  7.80613      0.825394 7.80613      0.825394 7.80613      0.825394 2.7878   0.105016  ?        ?         
1 1 1 43 3  1  o 14.9308  0.116595  223.016      3.48172  227.551      5.00371  218.76       4.84778  15.0787  0.165919  14.7847  0.163946  
1 1 1 43 3  2  o 2.94467  0.100075  8.67364      0.589378 8.99942      0.860671 8.38597      0.808763 2.99899  0.143493  2.89502  0.139682  
1 1 1 43 3  3  o 6.17508  0.0724316 38.1376      0.894543 38.0755      1.34422  38.187       1.19844  6.16944  0.108942  6.17869  0.096982  
1 1 1 43 3  4  o 7.13038  0.0783254 50.8518      1.11698  51.9389      1.6552   49.9428      1.51358  7.20541  0.114858  7.06578  0.107107  
1 1 1 43 3  5  o 12.8932  0.109927  166.298      2.83462  161.826      4.06321  170.539      3.95643  12.7159  0.159768  13.0543  0.151538  
1 1 1 43 3  6  o 9.34551  0.0928834 87.3638      1.73608  92.4642      2.92742  84.5968      2.15617  9.61208  0.152278  9.19553  0.11724   
1 1 1 43 3  7  o 10.4713  0.0880609 109.68       1.84423  109.589      2.55238  109.779      2.66772  10.4656  0.121941  10.4745  0.127344  
1 1 1 43 3  8  o 4.82676  0.0774907 23.3032      0.748057 23.2561      1.03958  23.3537      1.07725  4.82133  0.107811  4.83136  0.111485  
1 1 1 43 3  9  o 3.90823  0.0865903 15.2794      0.676831 14.784       0.927684 15.8431      0.989687 3.84375  0.120674  3.97896  0.124365  
1 1 1 43 3  10 o 2.13122  0.141267  4.54646      0.602142 4.90076      0.810689 4.11047      0.899302 2.21198  0.18325   2.02502  0.222047  
1 1 1 43 3  11 o 6.10893  0.0751464 37.3301      0.918128 37.208       1.24212  37.4772      1.36316  6.09818  0.101844  6.11987  0.111372  
1 1 1 43 3  12 o 6.27282  0.0745315 39.3608      0.935045 40.4281      1.32519  38.3027      1.31954  6.35632  0.104242  6.18689  0.10664   
1 1 1 43 3  13 o 6.40685  0.0762503 41.0629      0.977049 41.2161      1.36731  40.9031      1.39667  6.41764  0.106527  6.39311  0.109233  
1 1 1 43 3  14 o 2.17268  0.139859  4.72713      0.60774  6.02041      0.894023 3.61608      0.828645 2.45071  0.182401  1.89834  0.218255  
1 1 1 43 3  15 o 5.23339  0.0791284 27.4024      0.828219 26.9526      1.17277  27.85        1.16979  5.18885  0.113009  5.27462  0.110889  
1 1 1 43 3  16 o 2.10272  0.144784  4.43064      0.608879 5.74969      0.888219 3.26129      0.836296 2.39379  0.185526  1.80112  0.23216   
1 1 1 43 3  17 o 3.74692  0.0939146 14.0531      0.703782 14.4132      1.04972  13.759       0.94855  3.79247  0.138395  3.70597  0.127976  
1 1 1 43 3  18 o 2.44666  0.128544  5.99845      0.629007 4.86689      0.899219 7.08261      0.880188 2.20038  0.204333  2.65677  0.16565   
1 1 1 43 3  19 o 1.7741   0.168099  3.16002      0.596447 3.82038      0.846117 2.50776      0.840913 1.94805  0.21717   1.55129  0.281398  
1 1 1 43 3  20 o 4.91229  0.0826011 24.1567      0.811521 23.6657      1.10971  24.7212      1.1898   4.85966  0.114176  4.96632  0.119787  
1 1 1 43 3  21 o 1.88343  0.165879  3.56519      0.624843 4.10933      0.8936   3.0446       0.874047 2.01809  0.221398  1.7348   0.251916  
1 1 1 43 3  22 o 1.77213  0.179502  3.16115      0.636203 2.66253      0.897232 3.66535      0.902244 1.59376  0.292396  1.90367  0.236975  
1 1 1 43 3  23 o 1.74644  0.184166  3.07384      0.64327  2.36264      0.888101 3.85878      0.933002 1.49465  0.307628  1.95164  0.23903   
1 1 1 43 3  24 o 2.45239  0.149515  6.0508       0.73334  4.69614      0.988501 7.709        1.09365  2.1518   0.229691  2.76195  0.197985  
1 1 1 43 3  25 o 0.893095 0.3139    0.733304     0.696991 0.492464     0.969903 0.990492     1.00228  0.905234 0.359487  1.04657  0.375549  
1 1 1 43 3  26 o 2.65759  0.151238  7.1192       0.803857 7.65125      1.21206  6.70142      1.07406  2.74262  0.220968  2.56903  0.209039  
1 1 1 43 3  27 o 2.83287  0.154364  8.09482      0.874585 8.83098      1.28477  7.45908      1.19392  2.94606  0.218048  2.70704  0.220522  
1 1 1 43 3  28 o 1.42596  0.287792  2.17001      0.792002 2.17582      1.0854   2.16339      1.15826  1.40976  0.377373  1.40509  0.395506  
1 1 1 43 3  29 o 1.13675  0.334277  1.39379      0.809956 0.896446     1.17902  1.83827      1.11459  1.0461   0.401082  1.2956   0.394644  
1 1 1 43 3  30 o 1.03209  0.340715  1.1074       0.816772 1.08455      1.11964  1.1334       1.19413  1.07517  0.39582   1.10135  0.408197  
1 1 1 43 3  31 o 3.45083  0.134342  12.0439      0.927183 11.7916      1.32801  12.2838      1.29508  3.39272  0.195715  3.46649  0.1868    
1 1 1 43 3  32 o 1.87574  0.226274  3.65266      0.84886  2.29635      1.19754  5.02233      1.20342  1.4089   0.403962  2.18023  0.275985  
1 1 1 43 3  33 o 0.824188 0.331386  0.439149     0.836266 1.09772      1.1907   -0.201927    1.17478  1.07287  0.405464  0.808788 0.359642  
1 1 1 43 3  34 o 1.93752  0.228739  3.93773      0.886372 2.65197      1.2435   5.26581      1.26379  1.48966  0.406259  2.2119   0.285679  
1 1 1 43 3  35 o 0.683448 0.306106  -0.185074    0.864852 0.387115     1.22891  -0.746538    1.21734  0.900264 0.384694  0.727751 0.339856  
1 1 1 43 3  36 o 2.31723  0.195573  5.65011      0.906376 5.38862      1.27852  5.91431      1.28512  2.19737  0.290921  2.31264  0.277847  
1 1 1 43 3  37 o 2.8244   0.174816  8.40147      0.987502 9.20485      1.35452  7.49004      1.44273  2.89874  0.23364   2.56515  0.281217  
1 1 1 43 3  38 o 1.04735  0.370912  1.42674      0.974825 2.42783      1.38246  0.436734     1.37479  1.27588  0.442687  0.879219 0.390206  
1 1 1 43 3  39 f 0.784029 0.347769  0.392275     1.09002  1.50131      1.63778  -0.489589    1.46045  1.00594  0.437216  0.74583  0.355695  
1 1 1 43 3  40 o 1.12744  0.428781  2.45719      1.33856  3.67446      2.13669  1.67085      1.71732  1.16184  0.502096  0.952465 0.428789  
1 1 1 43 3  41 o 0.977727 0.402408  1.84957      1.26709  2.39233      1.79779  1.31383      1.78612  0.995107 0.443626  0.874606 0.409481  
1 1 1 43 4  0  o 7.18134  0.106871  51.6149      1.53419  51.6149      1.53419  51.6149      1.53419  7.18284  0.0755348 ?        ?         
1 1 1 43 4  1  o 8.8728   0.0826806 78.743       1.46722  79.0843      2.06973  78.3983      2.08022  8.89108  0.116394  8.8524   0.117495  
1 1 1 43 4  2  o 4.82894  0.0776333 23.323       0.749774 23.3021      1.10338  23.3411      1.02198  4.82624  0.11431   4.83042  0.105786  
1 1 1 43 4  3  o 2.44952  0.124941  6.00312      0.612091 6.26052      0.892372 5.77443      0.841152 2.50084  0.178414  2.40184  0.175106  
1 1 1 43 4  4  o 3.76844  0.0945549 14.2053      0.712649 14.5837      1.12472  13.9514      0.921162 3.81751  0.147311  3.73423  0.12334   
1 1 1 43 4  5  o 5.97231  0.0729918 35.675       0.871859 35.1421      1.27324  36.1455      1.19634  5.9269   0.107412  6.01109  0.099511  
1 1 1 43 4  6  o 6.51774  0.0696418 42.4885      0.907815 42.518       1.31721  42.4619      1.2529   6.51935  0.101023  6.51516  0.0961522 
1 1 1 43 4  7  o 10.0678  0.0832374 101.39       1.67604  102.402      2.42795  100.467      2.31654  10.1165  0.12      10.0206  0.115588  
1 1 1 43 4  8  o 11.4128  0.0882421 130.297      2.01418  132.308      2.99382  128.633      2.72244  11.4982  0.130187  11.338   0.120058  
1 1 1 43 4  9  o 2.77175  0.106675  7.68675      0.591354 7.0946       0.804218 8.38381      0.872557 2.66213  0.151048  2.89392  0.150757  
1 1 1 43 4  10 o 6.38746  0.0724154 40.8106      0.925101 43.1505      1.35354  38.7595      1.26729  6.56712  0.103055  6.22406  0.101806  
1 1 1 43 4  11 o 9.78609  0.0858994 95.8072      1.68124  95.5027      2.33771  96.1334      2.41967  9.76865  0.119654  9.8006   0.123445  
1 1 1 43 4  12 o 9.41652  0.0855323 88.7105      1.61083  90.3847      2.2755   87.0288      2.28064  9.5029   0.119726  9.32463  0.122291  
1 1 1 43 4  13 o 5.42941  0.0728514 29.4891      0.791081 28.326       1.08221  30.8238      1.15927  5.32033  0.101705  5.54984  0.104442  
1 1 1 43 4  14 o 10.6206  0.0898672 112.867      1.90889  115.416      2.77702  110.584      2.62826  10.7362  0.12933   10.5095  0.125042  
1 1 1 43 4  15 o 7.31211  0.0763697 53.4951      1.11685  53.812       1.56092  53.1626      1.59867  7.33192  0.106447  7.28732  0.109689  
1 1 1 43 4  16 f 0.991943 0.284273  1.0157       0.593178 0.854566     0.825406 1.1878       0.853036 0.975854 0.341728  1.09237  0.34755   
1 1 1 43 4  17 o 4.80417  0.0834242 23.0985      0.801568 22.9198      1.19166  23.2462      1.08325  4.78318  0.124568  4.81792  0.112419  
1 1 1 43 4  18 o 7.18428  0.0798807 51.6577      1.14777  51.556       1.64066  51.7551      1.60627  7.17402  0.114348  7.18815  0.11173   
1 1 1 43 4  19 o 1.7059   0.175529  2.92333      0.598871 1.73515      0.847658 4.10743      0.846205 1.2826   0.328893  2.0201   0.209447  
1 1 1 43 4  20 o 5.20961  0.0802162 27.1694      0.83579  25.9889      1.16947  28.4019      1.19491  5.09224  0.114829  5.32367  0.112226  
1 1 1 43 4  21 o 2.87212  0.115864  8.27032      0.665549 8.58047      0.94684  7.96742      0.935715 2.92189  0.162025  2.81521  0.166189  
1 1 1 43 4  22 o 3.88689  0.0954266 15.1369      0.741825 14.0809      1.03706  16.2432      1.06157  3.74496  0.138461  4.02298  0.131938  
1 1 1 43 4  23 o 2.7429   0.126366  7.55254      0.693219 7.83879      0.94748  7.22279      1.01692  2.79008  0.169794  2.67588  0.190016  
1 1 1 43 4  24 o 4.31028  0.0989972 18.6299      0.85341  18.6605      1.1703   18.5951      1.24717  4.30867  0.135807  4.29956  0.145035  
1 1 1 43 4  25 o 6.34281  0.0874294 40.3281      1.1091   39.639       1.53777  41.0751      1.60115  6.28103  0.122414  6.39309  0.125225  
1 1 1 43 4  26 f 0.613597 0.279836  -0.474662    0.76671  0.363455     1.1372   -1.17312     1.03814  0.926285 0.381229  0.639959 0.302889  
1 1 1 43 4  27 o 7.02962  0.101324  49.6088      1.42454  49.3951      2.00432  49.827       2.02506  7.0008   0.143149  7.03101  0.14401   
1 1 1 43 4  28 o 1.53605  0.248151  2.42111      0.762344 2.36604      1.09829  2.47231      1.05902  1.46735  0.373251  1.50351  0.357028  
1 1 1 43 4  29 o 3.67868  0.130311  13.6497      0.958749 13.7491      1.38249  13.5577      1.33074  3.67498  0.188095  3.65129  0.182228  
1 1 1 43 4  30 o 0.767109 0.315445  0.260784     0.777933 -0.390534    1.09588  0.922385     1.1045   0.761377 0.34266   1.02974  0.390115  
1 1 1 43 4  31 o 2.94233  0.151816  8.78774      0.893383 9.32707      1.25733  8.23782      1.26963  3.01121  0.208775  2.82366  0.224819  
1 1 1 43 4  32 o 0.71076  0.308697  -0.0202859   0.815337 0.880467     1.17095  -0.868024    1.13597  1.0204   0.397823  0.702525 0.328163  
1 1 1 43 4  33 o 1.96322  0.222371  4.01487      0.873127 4.66038      1.22552  3.34944      1.24427  2.0844   0.293974  1.70524  0.374997  
1 1 1 43 4  34 o 1.29265  0.329488  1.91917      0.854528 2.84644      1.21528  1.01235      1.2018   1.54436  0.392502  1.03669  0.403265  
1 1 1 43 4  35 o 1.07642  0.351003  1.34353      0.866842 0.184445     1.22534  2.50474      1.22646  0.862048 0.376427  1.41611  0.409721  
1 1 1 43 4  36 o 3.27126  0.1459    11.0293      0.954555 11.4558      1.35647  10.6109      1.34351  3.28547  0.206435  3.15628  0.212831  
1 1 1 43 4  37 o 0.961767 0.353175  1.09037      0.890891 -0.086945    1.21032  2.48255      1.31614  0.781551 0.35513   1.3269   0.432507  
1 1 1 43 4  38 o 0.772541 0.33284   0.373109     0.933496 -1.6719      1.2702   2.7748       1.37652  0.617341 0.302705  1.34755  0.442317  
1 1 1 43 4  39 o 1.65914  0.372972  3.8659       1.20746  5.14648      1.89977  2.99798      1.564    1.64817  0.517923  1.28525  0.468336  
1 1 1 43 4  40 o 0.669164 0.322052  -0.452564    1.26795  0.185689     1.94263  -0.926278    1.6736   0.806206 0.39022   0.700978 0.344916  
1 1 1 43 4  41 o 0.971473 0.411953  2.01076      1.39049  1.52732      1.7839   2.75923      2.21966  0.87846  0.410691  0.967414 0.453566  
1 1 1 43 5  0  o 4.18712  0.117225  17.5771      0.97993  17.5771      0.97993  17.5771      0.97993  4.18982  0.0827633 ?        ?         
1 1 1 43 5  1  o 5.38686  0.0810815 29.0246      0.87355  29.6027      1.24452  28.4631      1.22645  5.43967  0.114393  5.33392  0.114967  
1 1 1 43 5  2  o 5.45792  0.0837524 29.7958      0.914227 29.9364      1.42872  29.6984      1.18968  5.46985  0.130599  5.44854  0.109174  
1 1 1 43 5  3  o 10.4705  0.0910882 109.664      1.90749  110.58       2.72673  108.785      2.66937  10.5127  0.129688  10.4271  0.128002  
1 1 1 43 5  4  o 11.0112  0.0932336 121.285      2.05324  124.355      3.01657  118.636      2.80265  11.1478  0.135299  10.8887  0.128695  
1 1 1 43 5  5  o 11.6062  0.0899428 134.744      2.08778  130.509      2.97892  138.833      2.9269   11.4203  0.130422  11.7793  0.12424   
1 1 1 43 5  6  o 9.43981  0.0777315 89.132       1.46754  90.5473      2.1022   87.7866      2.04963  9.51325  0.110488  9.36714  0.109405  
1 1 1 43 5  7  o 19.1823  0.13223   368.245      5.07296  367.707      7.24221  368.763      7.10816  19.1604  0.188989  19.1885  0.185219  
1 1 1 43 5  8  o 4.93019  0.0743797 24.3131      0.733412 24.507       1.0462   24.1257      1.02843  4.94915  0.105695  4.91052  0.104717  
1 1 1 43 5  9  o 9.5871   0.0816918 91.9435      1.56637  91.0611      2.18328  92.8795      2.24853  9.53943  0.114435  9.63408  0.116697  
1 1 1 43 5  10 o 15.1608  0.109535  230.002      3.3213   232.508      4.85496  227.798      4.55356  15.2376  0.159308  15.0836  0.150944  
1 1 1 43 5  11 o 5.24671  0.0776247 27.5378      0.814548 28.3242      1.15375  26.7563      1.15015  5.32018  0.108431  5.17074  0.111217  
1 1 1 43 5  12 f 5.75402  0.076365  33.1213      0.878811 33.1237      1.21156  33.1186      1.27665  5.75322  0.105294  5.75254  0.110964  
1 1 1 43 5  13 o 5.29226  0.0743107 28.0193      0.786544 27.406       1.10961  28.6388      1.1151   5.2329   0.106022  5.34938  0.104227  
1 1 1 43 5  14 o 5.36321  0.0771519 28.7783      0.827564 29.0927      1.14599  28.4358      1.19634  5.3912   0.106283  5.3297   0.112233  
1 1 1 43 5  15 o 5.14572  0.0776024 26.4944      0.798641 27.0646      1.17165  25.9994      1.0915   5.1991   0.112678  5.09607  0.107092  
1 1 1 43 5  16 o 3.68521  0.0962532 13.5946      0.709427 13.3398      1.02514  13.8287      0.982764 3.64842  0.140491  3.71514  0.132265  
1 1 1 43 5  17 o 1.27317  0.239253  1.68497      0.586807 0.980859     0.842944 2.34704      0.817387 1.02032  0.346131  1.50069  0.282698  
1 1 1 43 5  18 o 3.97523  0.0896115 15.8202      0.712453 16.048       1.0074   15.5922      1.00772  4.00156  0.125876  3.94419  0.127747  
1 1 1 43 5  19 f 7.30421  0.0798038 53.4041      1.16581  53.2968      1.67794  53.5043      1.62094  7.29292  0.115039  7.30763  0.110907  
1 1 1 43 5  20 o 1.31288  0.237665  1.79406      0.601133 1.37301      0.841073 2.23374      0.859486 1.15125  0.341255  1.45587  0.304986  
1 1 1 43 5  21 o 3.40404  0.102017  11.6116      0.694536 12.2831      0.984933 10.9474      0.979533 3.49782  0.140793  3.30146  0.148349  
1 1 1 43 5  22 o 2.15227  0.149712  4.65515      0.644444 4.32298      0.889218 5.02262      0.935289 2.06874  0.214918  2.23041  0.209667  
1 1 1 43 5  23 o 2.11642  0.158793  4.5082       0.672146 5.58106      0.906171 3.19596      1.00218  2.35131  0.192695  1.76971  0.283147  
1 1 1 43 5  24 o 4.17077  0.0995906 17.4457      0.830739 18.0975      1.15653  16.751       1.19405  4.24269  0.136297  4.08013  0.146325  
1 1 1 43 5  25 f 4.6862   0.0965047 22.0276      0.904481 22.9616      1.31497  21.1889      1.24607  4.7768   0.137641  4.5891   0.135764  
1 1 1 43 5  26 o 2.84027  0.148252  8.13078      0.84215  8.79918      1.19891  7.47977      1.18321  2.94434  0.203595  2.71166  0.21817   
1 1 1 43 5  27 o 2.4658   0.166958  6.14724      0.823372 7.20264      1.1769   5.13542      1.15234  2.6581   0.221379  2.23695  0.257569  
1 1 1 43 5  28 o 2.34727  0.172802  5.58663      0.811224 4.19351      1.16639  6.89186      1.12901  2.00867  0.29034   2.59675  0.217389  
1 1 1 43 5  29 o 1.82293  0.22631   3.41392      0.825095 3.24         1.18546  3.57734      1.14911  1.71464  0.357426  1.81569  0.328495  
1 1 1 43 5  30 o 1.18758  0.320631  1.54858      0.779382 2.43524      1.08759  0.612569     1.11744  1.47362  0.369393  0.958051 0.383955  
1 1 1 43 5  31 o 1.00948  0.342456  1.05466      0.82514  0.834242     1.14409  1.29359      1.19118  1.00928  0.393286  1.13209  0.409095  
1 1 1 43 5  32 o 0.770512 0.322864  0.212723     0.837485 0.522172     1.19247  -0.0884762   1.17646  0.947286 0.390213  0.829991 0.365579  
1 1 1 43 5  33 o 0.785805 0.325044  0.30485      0.831921 0.564791     1.17991  0.0478765    1.17315  0.944574 0.388465  0.845053 0.368671  
1 1 1 43 5  34 f 0.842078 0.335955  0.539756     0.850672 1.51578      1.21047  -0.412638    1.19573  1.15596  0.412921  0.770512 0.350878  
1 1 1 43 5  35 o 1.51478  0.29882   2.61255      0.873061 2.0337       1.22334  3.2134       1.24637  1.27729  0.416979  1.61908  0.389145  
1 1 1 43 5  36 o 1.55462  0.301847  2.8103       0.905018 4.66729      1.27749  0.93932      1.2823   2.01235  0.317413  0.991262 0.405864  
1 1 1 43 5  37 o 0.734303 0.321546  0.154311     0.899294 1.07167      1.27375  -0.75743     1.26985  0.988626 0.404601  0.712932 0.336433  
1 1 1 43 5  38 o 0.654009 0.304548  -0.361066    0.968746 -0.438179    1.37629  -0.285343    1.36382  0.751176 0.353239  0.765182 0.358172  
1 1 1 43 5  39 o 0.956883 0.384929  1.29765      1.12912  1.79411      1.75303  0.945668     1.47607  1.03672  0.451493  0.909865 0.404     
1 1 1 43 5  40 o 0.743464 0.344182  0.361167     1.21432  0.141135     1.81482  0.539539     1.63401  0.782092 0.378308  0.802076 0.379798  
1 1 1 43 5  41 f 0.843725 0.379955  1.32118      1.34949  2.18373      1.75014  0.0562963    2.11936  0.922952 0.421541  0.757842 0.375179  
1 1 1 43 6  0  o 13.5601  0.156921  184.03       4.25442  184.03       4.25442  184.03       4.25442  13.5629  0.11092   ?        ?         
1 1 1 43 6  1  o 15.981   0.124155  255.536      3.96823  256.219      5.78195  254.927      5.45607  15.9973  0.180716  15.9579  0.170952  
1 1 1 43 6  2  o 8.41684  0.0789661 70.8595      1.32929  72.769       1.97288  69.2718      1.79894  8.52836  0.115666  8.32116  0.108094  
1 1 1 43 6  3  o 10.3614  0.0852371 107.388      1.76635  104.725      2.43422  110.351      2.56707  10.2307  0.118966  10.5018  0.122221  
1 1 1 43 6  4  o 14.0816  0.107269  198.381      3.02103  195.99       4.1855   200.981      4.36492  13.9934  0.149553  14.17    0.154019  
1 1 1 43 6  5  o 4.57957  0.0738756 20.9773      0.676636 22.4404      0.974975 19.6177      0.93981  4.73606  0.102931  4.42812  0.106118  
1 1 1 43 6  6  o 20.5652  0.147235  423.339      6.05586  417.634      8.56785  429.035      8.56072  20.4157  0.209835  20.6931  0.206849  
1 1 1 43 6  7  o 17.2897  0.127298  299.164      4.40188  300.984      6.25854  297.383      6.19239  17.3354  0.180513  17.2315  0.179682  
1 1 1 43 6  8  o 3.03259  0.0926032 9.20059      0.561655 8.92386      0.796081 9.47485      0.792531 2.98594  0.133305  3.07683  0.12879   
1 1 1 43 6  9  o 1.37842  0.197324  1.90407      0.543992 2.43411      0.744681 1.29758      0.79658  1.55776  0.239024  1.12707  0.331529  
1 1 1 43 6  10 o 8.83138  0.0773888 78.0206      1.3669   76.7439      1.95132  79.2507      1.91536  8.75717  0.111412  8.89927  0.107613  
1 1 1 43 6  11 o 6.2749   0.0727842 39.3876      0.913428 39.6473      1.29515  39.1307      1.28845  6.29447  0.10288   6.25332  0.103021  
1 1 1 43 6  12 o 7.24956  0.0743468 52.5764      1.07796  53.8964      1.55199  51.3461      1.49837  7.33851  0.105743  7.16284  0.104593  
1 1 1 43 6  13 o 8.61162  0.0816019 74.1988      1.40545  74.3768      2.05394  74.042       1.92731  8.61933  0.119147  8.60047  0.112047  
1 1 1 43 6  14 o 3.78101  0.0890107 14.3065      0.673101 13.8134      0.928632 14.8524      0.977029 3.71396  0.125019  3.85102  0.126853  
1 1 1 43 6  15 o 11.6243  0.0917406 135.244      2.13284  135.389      3.02021  135.101      3.01239  11.6253  0.129898  11.613   0.129699  
1 1 1 43 6  16 o 7.92843  0.0830214 62.9097      1.31646  61.742       1.86914  64.0592      1.85445  7.85119  0.119035  7.9975   0.11594   
1 1 1 43 6  17 o 4.09985  0.0858863 16.8251      0.704242 16.007       0.983827 17.6848      1.00853  3.9969   0.123074  4.20135  0.120025  
1 1 1 43 6  18 o 4.00833  0.0882516 16.0849      0.707483 15.0743      0.975441 17.2067      1.02766  3.87806  0.125764  4.14341  0.124012  
1 1 1 43 6  19 o 6.93557  0.0789048 48.1513      1.0945   48.456       1.53104  47.8329      1.56524  6.95405  0.110082  6.90879  0.113279  
1 1 1 43 6  20 o 1.18749  0.259172  1.483        0.598502 0.882165     0.847326 2.08124      0.845496 0.985336 0.346122  1.4032   0.309581  
1 1 1 43 6  21 o 1.79707  0.180177  3.2511       0.647581 3.85209      0.955807 2.74112      0.880461 1.9507   0.244991  1.64358  0.267849  
1 1 1 43 6  22 o 4.54255  0.0880241 20.6719      0.799708 22.2221      1.12833  19.1071      1.1336   4.70621  0.119877  4.36265  0.129921  
1 1 1 43 6  23 o 1.89613  0.17374   3.62494      0.658867 4.39605      0.891246 2.69564      0.978399 2.08382  0.213849  1.59396  0.31817   
1 1 1 43 6  24 o 0.750248 0.301562  0.286542     0.69221  0.703577     0.974125 -0.138829    0.983812 0.96041  0.365629  0.77384  0.337607  
1 1 1 43 6  25 f 1.95155  0.19089   3.85654      0.745061 4.33774      1.09     3.43453      1.02075  2.0577   0.26486   1.82857  0.279113  
1 1 1 43 6  26 o 4.6294   0.111278  21.5267      1.0303   22.2096      1.42626  20.7815      1.48996  4.69308  0.151954  4.53652  0.164218  
1 1 1 43 6  27 o 2.4611   0.16566   6.12352      0.815411 4.86758      1.1124   7.58206      1.19877  2.17782  0.255394  2.72713  0.219785  
1 1 1 43 6  28 o 2.36508  0.169006  5.67333      0.799426 7.13591      1.15043  4.30762      1.11168  2.64042  0.217851  2.03823  0.272707  
1 1 1 43 6  29 o 0.859608 0.330011  0.574266     0.79905  1.30467      1.13359  -0.147039    1.1265   1.13637  0.400225  0.813852 0.358105  
1 1 1 43 6  30 o 1.38613  0.297487  2.09566      0.800937 1.88785      1.13381  2.30266      1.13159  1.29957  0.398471  1.42707  0.386818  
1 1 1 43 6  31 o 1.41291  0.305055  2.20112      0.837523 2.47998      1.18711  1.92476      1.18179  1.46788  0.395439  1.30175  0.408379  
1 1 1 43 6  32 o 1.61014  0.264547  2.73167      0.851914 2.76523      1.22177  2.69992      1.1885   1.5447   0.39412   1.52885  0.38791   
1 1 1 43 6  33 o 1.68027  0.252072  2.98164      0.847099 2.00517      1.19658  3.96268      1.19938  1.30783  0.411055  1.9091   0.314122  
1 1 1 43 6  34 o 1.3627   0.325409  2.14863      0.875923 0.97707      1.2283   3.3609       1.24946  1.02226  0.404993  1.67498  0.381398  
1 1 1 43 6  35 o 1.90135  0.231261  3.86422      0.879416 3.51846      1.24494  4.20858      1.24243  1.70333  0.37554   1.89681  0.339805  
1 1 1 43 6  36 o 0.870822 0.343449  0.72371      0.879685 1.14977      1.20329  0.234577     1.28928  1.01878  0.401721  0.861664 0.380717  
1 1 1 43 6  37 o 1.06148  0.365878  1.44032      0.943021 2.86663      1.34202  0.0491189    1.3254   1.41706  0.433318  0.823199 0.373308  
1 1 1 43 6  38 o 0.902455 0.364145  0.982896     1.01485  2.03281      1.48448  0.0616371    1.39056  1.12413  0.445266  0.803562 0.37059   
1 1 1 43 6  39 o 0.731757 0.338084  0.00295204   1.16411  0.50293      1.85969  -0.319185    1.49275  0.882154 0.413874  0.757764 0.360796  
1 1 1 43 6  40 o 0.687011 0.324249  -0.00745447  1.18038  0.359419     1.80112  -0.283649    1.56276  0.786454 0.379805  0.715238 0.347172  
1 1 1 43 6  41 o 0.697177 0.337644  0.224755     1.46246  1.19686      1.89791  -1.19613     2.29456  0.781149 0.380238  0.680773 0.344174  
1 1 1 43 7  0  o 12.1785  0.137339  148.428      3.34419  148.428      3.34419  148.428      3.34419  12.1808  0.0970809 ?        ?         
1 1 1 43 7  1  o 11.7089  0.0981029 137.152      2.29735  136.459      3.11749  137.975      3.39857  11.6773  0.133485  11.7413  0.144728  
1 1 1 43 7  2  o 5.85748  0.0744213 34.3179      0.871842 33.9422      1.20905  34.7249      1.25837  5.82469  0.103787  5.89138  0.106797  
1 1 1 43 7  3  o 6.83145  0.0678074 46.6778      0.926445 46.9421      1.31885  46.4203      1.3017   6.85006  0.0962656 6.81191  0.095546  
1 1 1 43 7  4  o 11.865   0.0896757 140.828      2.128    139.914      3.0327   141.715      2.98673  11.8242  0.128242  11.9002  0.125491  
1 1 1 43 7  5  o 7.76395  0.0748988 60.2944      1.16302  59.2178      1.5677   61.6123      1.73442  7.69345  0.101885  7.84713  0.110513  
1 1 1 43 7  6  o 8.74418  0.0754822 76.4817      1.32006  76.6913      1.84789  76.2632      1.8864   8.75499  0.105534  8.73041  0.108036  
1 1 1 43 7  7  o 20.569   0.144212  423.533      5.93261  419.082      8.23053  428.346      8.55906  20.4504  0.201232  20.6739  0.207001  
1 1 1 43 7  8  o 11.3226  0.0889026 128.256      2.01322  125.84       2.80375  130.828      2.89257  11.2131  0.125021  11.4331  0.1265    
1 1 1 43 7  9  o 8.57926  0.0753132 73.6279      1.29226  72.7764      1.7912   74.5523      1.86617  8.52817  0.105017  8.63143  0.108103  
1 1 1 43 7  10 o 9.48426  0.0846497 89.9915      1.60568  90.1552      2.27539  89.8291      2.26618  9.4907   0.119875  9.47354  0.119606  
1 1 1 43 7  11 o 3.92794  0.0815984 15.4357      0.641027 15.7042      0.924396 15.187       0.889698 3.96099  0.116687  3.89529  0.114202  
1 1 1 43 7  12 o 1.49586  0.181309  2.24318      0.542427 2.10499      0.778118 2.37381      0.756553 1.42187  0.28367   1.53715  0.246089  
1 1 1 43 7  13 o 5.50269  0.0775352 30.2954      0.853305 30.1814      1.18316  30.419       1.23181  5.49098  0.107737  5.51234  0.111732  
1 1 1 43 7  14 o 9.55707  0.0856066 91.4063      1.6363   88.8093      2.2831   94.1493      2.34635  9.41683  0.121224  9.69584  0.120998  
1 1 1 43 7  15 o 7.14913  0.0756033 51.1423      1.081    52.5438      1.55248  49.8233      1.50609  7.24411  0.107155  7.05412  0.106753  
1 1 1 43 7  16 o 4.81952  0.0834556 23.2477      0.804432 21.88        1.14314  24.5893      1.13222  4.67329  0.122306  4.95478  0.114255  
1 1 1 43 7  17 f 3.38458  0.0996115 11.4712      0.674286 10.6745      0.97148  12.2118      0.936643 3.26214  0.148902  3.49015  0.134184  
1 1 1 43 7  18 o 2.48701  0.124223  6.19984      0.61789  4.93122      0.844183 7.66374      0.906835 2.21441  0.190611  2.76259  0.164128  
1 1 1 43 7  19 o 6.50614  0.0778361 42.3748      1.01283  41.2763      1.41268  43.5368      1.45287  6.41782  0.110059  6.59119  0.110213  
1 1 1 43 7  20 o 2.408    0.130411  5.81793      0.628058 5.49366      0.873813 6.16448      0.903338 2.33583  0.187046  2.47474  0.182512  
1 1 1 43 7  21 o 7.39104  0.0815429 54.7052      1.20537  55.9152      1.68024  53.4223      1.73017  7.46761  0.112502  7.29816  0.118535  
1 1 1 43 7  22 o 1.78549  0.17733   3.21265      0.633243 2.71196      0.86485  3.79129      0.92975  1.6328   0.264836  1.93345  0.240438  
1 1 1 43 7  23 o 2.63689  0.142754  6.99346      0.752852 6.84466      1.01224  7.17766      1.12625  2.6024   0.194482  2.66238  0.211512  
1 1 1 43 7  24 o 0.474266 0.229319  -1.05552     0.664329 -0.165955    0.942456 -1.93402     0.936578 0.75121  0.329059  0.519536 0.255897  
1 1 1 43 7  25 o 0.908011 0.323017  0.751175     0.740068 0.841455     1.05556  0.663892     1.03789  1.01443  0.382222  0.964128 0.374815  
1 1 1 43 7  26 o 1.77166  0.222278  3.19732      0.787603 2.33261      1.08308  4.16774      1.14738  1.46202  0.369921  2.0107   0.285317  
1 1 1 43 7  27 o 1.30873  0.298059  1.84173      0.762957 1.80186      1.0771   1.88188      1.08088  1.2911   0.38689   1.31633  0.385862  
1 1 1 43 7  28 o 0.637862 0.289461  -0.39887     0.798321 -0.536483    1.09684  -0.243849    1.16415  0.743407 0.33787   0.8144   0.360553  
1 1 1 43 7  29 o 1.71243  0.23411   3.02533      0.801795 3.05538      1.17959  2.99952      1.09316  1.65645  0.365845  1.65023  0.342652  
1 1 1 43 7  30 o 1.52453  0.278413  2.5048       0.817381 3.09382      1.15942  1.92279      1.15251  1.66389  0.358643  1.30823  0.40187   
1 1 1 43 7  31 o 3.62166  0.12854   13.2782      0.931059 13.4033      1.31479  13.1524      1.31866  3.61687  0.181758  3.58175  0.18408   
1 1 1 43 7  32 o 2.07473  0.207337  4.4513       0.860335 4.1405       1.21441  4.76447      1.219    1.96162  0.309543  2.11417  0.288293  
1 1 1 43 7  33 o 1.32967  0.32595   2.01151      0.861279 2.17061      1.20718  1.84655      1.22919  1.35134  0.410525  1.25866  0.417975  
1 1 1 43 7  34 o 0.625899 0.288819  -0.487764    0.846169 0.905036     1.20439  -1.8454      1.18909  0.999022 0.399345  0.60723  0.296546  
1 1 1 43 7  35 o 1.89533  0.233511  3.85521      0.885161 3.28875      1.25381  4.41807      1.24981  1.6282   0.389652  1.97267  0.316782  
1 1 1 43 7  36 o 0.983294 0.347451  1.14351      0.854977 1.234        1.18211  1.04426      1.23807  1.02781  0.399919  0.991517 0.401328  
1 1 1 43 7  37 o 2.65946  0.191649  7.58054      1.01937  6.28741      1.40444  9.0202       1.48188  2.3067   0.304426  2.81854  0.262882  
1 1 1 43 7  38 o 0.976021 0.368129  1.3117       0.979892 2.49246      1.45284  0.326317     1.32722  1.21203  0.450042  0.819257 0.372162  
1 1 1 43 7  39 o 0.747476 0.343214  0.200954     1.17749  -0.200136    1.72375  0.551847     1.61228  0.787219 0.378046  0.845394 0.393368  
1 1 1 43 7  40 o 0.585993 0.287912  -1.02916     1.15891  -0.989628    1.66627  -1.06621     1.61293  0.680194 0.335751  0.667829 0.329812  
1 1 1 43 7  41 f 0.660729 0.323513  -0.112023    1.43961  -0.43686     1.98006  0.252237     2.09678  0.680083 0.340041  0.717385 0.357925  
1 1 1 43 8  0  o 16.9623  0.173111  288.003      5.87135  288.003      5.87135  288.003      5.87135  16.9665  0.122364  ?        ?         
1 1 1 43 8  1  o 15.5412  0.114049  241.67       3.54492  240.51       5.18013  242.691      4.86156  15.4986  0.167116  15.5699  0.15612   
1 1 1 43 8  2  o 4.5058   0.0757097 20.3075      0.682265 21.1704      1.02883  19.6302      0.91152  4.59981  0.111834  4.42952  0.102891  
1 1 1 43 8  3  o 11.8777  0.0923884 141.137      2.19473  138.609      2.96242  144.211      3.26761  11.7689  0.125858  12.0036  0.13611   
1 1 1 43 8  4  o 5.82646  0.0696666 33.9555      0.811819 34.05        1.14648  33.8604      1.1497   5.83388  0.0982601 5.81761  0.0988122 
1 1 1 43 8  5  o 6.7103   0.0687524 45.0388      0.922699 45.6952      1.33526  44.4388      1.27651  6.75818  0.0987882 6.66472  0.0957662 
1 1 1 43 8  6  o 3.66602  0.0789378 13.4441      0.578775 12.5664      0.827628 14.2842      0.809691 3.54366  0.116776  3.77831  0.10715   
1 1 1 43 8  7  o 5.60015  0.0689663 31.3699      0.772444 31.2884      1.09545  31.4505      1.08937  5.59213  0.0979459 5.60663  0.0971505 
1 1 1 43 8  8  o 4.47588  0.0748575 20.04        0.670106 20.1545      0.924801 19.9136      0.972331 4.48798  0.103031  4.46091  0.108983  
1 1 1 43 8  9  o 7.79177  0.0733412 60.732       1.14292  60.6476      1.62836  60.814       1.60456  7.78498  0.104583  7.79574  0.102913  
1 1 1 43 8  10 o 11.8368  0.0939399 140.194      2.2239   140.917      3.32375  139.608      2.99242  11.8629  0.14009   11.8091  0.1267    
1 1 1 43 8  11 o 6.9643   0.0726441 48.5204      1.01183  49.7585      1.48713  47.4532      1.38068  7.05104  0.105455  6.88603  0.100252  
1 1 1 43 8  12 o 3.51571  0.09051   12.3686      0.636413 12.588       0.918711 12.1663      0.882433 3.54546  0.129562  3.48567  0.12658   
1 1 1 43 8  13 o 12.1013  0.0976179 146.576      2.3626   143.653      3.22759  149.949      3.46776  11.9751  0.134763  12.2335  0.141732  
1 1 1 43 8  14 o 3.2306   0.0961401 10.4472      0.621181 10.2028      0.869363 10.7021      0.887895 3.19101  0.136221  3.26818  0.135839  
1 1 1 43 8  15 o 3.84352  0.0876245 14.7859      0.673573 14.1228      0.928195 15.5235      0.978987 3.75467  0.123605  3.93642  0.12435   
1 1 1 43 8  16 o 3.20556  0.0989655 10.289       0.634481 9.50888      0.900729 11.0573      0.893893 3.07928  0.146256  3.32126  0.134571  
1 1 1 43 8  17 o 6.15709  0.0789223 37.9441      0.971863 37.986       1.43361  37.9085      1.32201  6.15715  0.116418  6.15177  0.107449  
1 1 1 43 8  18 o 5.30314  0.0810152 28.1535      0.859271 28.198       1.1771   28.1026      1.25724  5.30481  0.110946  5.29505  0.118719  
1 1 1 43 8  19 o 4.53855  0.0834493 20.625       0.757478 20.0183      1.0505   21.2819      1.09325  4.46847  0.117546  4.60723  0.118645  
1 1 1 43 8  20 o 2.89283  0.115703  8.39131      0.669419 9.04036      0.933431 7.70398      0.960555 2.99935  0.155605  2.76715  0.173564  
1 1 1 43 8  21 o 3.38414  0.103747  11.4803      0.702187 12.155       0.955396 10.6877      1.03552  3.47902  0.137308  3.25995  0.158824  
1 1 1 43 8  22 o 0.769971 0.292416  0.436352     0.621816 0.494817     0.841818 0.366148     0.922467 0.865395 0.337327  0.860374 0.347171  
1 1 1 43 8  23 o 2.5439   0.141028  6.50947      0.717525 6.35188      1.01105  6.66938      1.01846  2.50536  0.201776  2.56773  0.198319  
1 1 1 43 8  24 o 4.06578  0.0995049 16.5847      0.809129 17.5333      1.17322  15.7243      1.11738  4.17348  0.140556  3.95217  0.141363  
1 1 1 43 8  25 o 0.696936 0.298145  0.00610626   0.739612 -0.194897    1.03163  0.218686     1.06092  0.780251 0.34301   0.870601 0.364012  
1 1 1 43 8  26 o 5.18049  0.0983731 26.9401      1.01924  27.057       1.41272  26.8133      1.47195  5.18263  0.136294  5.15743  0.142702  
1 1 1 43 8  27 o 0.945118 0.326255  0.86772      0.750071 0.822781     1.04173  0.916098     1.08087  0.999246 0.378779  1.03279  0.387242  
1 1 1 43 8  28 o 0.754671 0.315493  0.171886     0.796764 1.17612      1.1176   -0.866076    1.13622  1.10314  0.396494  0.712424 0.331005  
1 1 1 43 8  29 o 4.18389  0.113565  17.6384      0.950291 17.1858      1.3758   18.0514      1.31415  4.11167  0.167304  4.21852  0.15576   
1 1 1 43 8  30 o 0.679081 0.300393  -0.172033    0.805807 -1.38596     1.13163  1.07663      1.1477   0.645245 0.309003  1.07099  0.399535  
1 1 1 43 8  31 o 3.03473  0.146024  9.35767      0.886284 9.75221      1.25071  8.95974      1.25609  3.07526  0.203351  2.94317  0.213391  
1 1 1 43 8  32 o 1.60924  0.260746  2.73974      0.839208 2.62925      1.17212  2.85594      1.20208  1.50062  0.387841  1.56537  0.385907  
1 1 1 43 8  33 o 0.926956 0.351078  0.804963     0.894304 1.36149      1.21525  0.147558     1.32081  1.12284  0.412471  0.895997 0.391038  
1 1 1 43 8  34 o 0.904664 0.341047  0.803654     0.840676 1.55607      1.19377  0.0634186    1.18408  1.15064  0.410159  0.831014 0.366312  
1 1 1 43 8  35 o 1.26455  0.33827   1.92561      0.872492 2.00241      1.22599  1.8468       1.24195  1.25022  0.417431  1.20753  0.419528  
1 1 1 43 8  36 o 1.15221  0.350693  1.6819       0.880384 0.923646     1.22907  2.48092      1.26168  0.957528 0.39552   1.33688  0.422405  
1 1 1 43 8  37 o 0.55296  0.268795  -1.20031     0.942801 -0.835043    1.35102  -1.54705     1.3163   0.715081 0.341287  0.642114 0.313293  
1 1 1 43 8  38 o 0.924761 0.367734  1.13678      1.01617  1.50427      1.50254  0.827018     1.37949  1.00391  0.427061  0.891434 0.393848  
1 1 1 43 8  39 o 0.623142 0.300846  -0.656789    1.12799  -1.2314      1.62654  -0.124402    1.56564  0.679147 0.334472  0.752206 0.361004  
1 1 1 43 8  40 o 0.632714 0.305948  -0.563156    1.18311  -1.08344     1.69684  -0.0709238   1.65047  0.681737 0.337066  0.744242 0.360133  
1 1 1 43 9  0  o 13.4898  0.14545   182.131      3.92316  182.131      3.92316  182.131      3.92316  13.4927  0.102813  ?        ?         
1 1 1 43 9  1  o 8.25763  0.0742096 68.2067      1.22559  69.3306      1.81397  67.2627      1.66243  8.32409  0.108959  8.19933  0.101376  
1 1 1 43 9  2  o 10.03    0.0843754 100.636      1.69257  99.7868      2.41545  101.455      2.37244  9.98573  0.120945  10.0691  0.117808  
1 1 1 43 9  3  o 10.2961  0.0807952 106.044      1.66374  106.294      2.42166  105.82       2.28966  10.3063  0.117484  10.2837  0.111325  
1 1 1 43 9  4  o 2.93427  0.0941568 8.61387      0.552562 7.55082      0.805016 9.56092      0.759823 2.74635  0.146561  3.09087  0.122914  
1 1 1 43 9  5  o 7.2854   0.0720989 53.0919      1.05054  52.6165      1.44426  53.626       1.53089  7.2518   0.0995795 7.32083  0.104557  
1 1 1 43 9  6  o 10.4357  0.0831362 108.946      1.73516  107.812      2.41714  110.151      2.49238  10.3793  0.11644   10.4911  0.118785  
1 1 1 43 9  7  o 1.70454  0.149366  2.90929      0.509201 3.12143      0.705745 2.67894      0.735408 1.76467  0.199966  1.6343   0.224992  
1 1 1 43 9  8  o 8.15233  0.0758005 66.4843      1.2359   64.1018      1.6658   69.4017      1.8433   8.00362  0.104065  8.32754  0.110675  
1 1 1 43 9  9  o 5.63827  0.0709186 31.8008      0.799716 32.0078      1.1365   31.5978      1.12552  5.6556   0.100475  5.61927  0.100148  
1 1 1 43 9  10 o 3.92133  0.0800818 15.3841      0.628055 16.012       0.889428 14.7595      0.886983 3.99967  0.111188  3.83991  0.115495  
1 1 1 43 9  11 o 3.58366  0.0860051 12.8503      0.616425 12.8282      0.879292 12.8716      0.864412 3.57944  0.122825  3.58557  0.12054   
1 1 1 43 9  12 o 7.15766  0.0766473 51.2601      1.09723  51.5702      1.60273  50.9865      1.50529  7.17708  0.111656  7.1368   0.105459  
1 1 1 43 9  13 o 3.52506  0.0877078 12.4361      0.618351 12.4263      0.882036 12.4455      0.867114 3.52222  0.12521   3.52504  0.122994  
1 1 1 43 9  14 o 6.21378  0.0764852 38.6365      0.950524 39.8537      1.3631   37.4843      1.32615  6.30882  0.108031  6.11838  0.108375  
1 1 1 43 9  15 o 2.8972   0.106792  8.40581      0.618798 8.1269       0.854502 8.71334      0.89729  2.84673  0.150085  2.94754  0.15221   
1 1 1 43 9  16 o 7.79499  0.0781178 60.8139      1.21785  61.2643      1.70922  60.3494      1.73569  7.82057  0.109277  7.76165  0.111812  
1 1 1 43 9  17 o 7.41005  0.0792797 54.962       1.17493  54.6371      1.68754  55.2676      1.63684  7.3842   0.114267  7.42721  0.110192  
1 1 1 43 9  18 o 10.8732  0.0946149 118.412      2.05754  117.181      2.91129  119.64       2.90831  10.8078  0.134685  10.921   0.133152  
1 1 1 43 9  19 o 2.36145  0.133406  5.59586      0.630062 5.17831      0.862857 6.07281      0.922183 2.26759  0.190259  2.45586  0.187751  
1 1 1 43 9  20 o 4.34696  0.0904412 18.9288      0.786289 19.8768      1.07142  17.8222      1.15753  4.45159  0.120341  4.2133   0.137366  
1 1 1 43 9  21 o 3.22098  0.104746  10.4021      0.674772 10.629       0.906336 10.1198      1.01072  3.25264  0.139323  3.17151  0.159343  
1 1 1 43 9  22 o 0.640438 0.275189  -0.0300136   0.634995 0.275222     0.853495 -0.408438    0.950327 0.812033 0.331573  0.712392 0.319927  
1 1 1 43 9  23 o 1.2824   0.270842  1.74307      0.673131 2.02134      0.9599   1.47382      0.944195 1.37013  0.349196  1.18564  0.363647  
1 1 1 43 9  24 o 2.96842  0.129192  8.86312      0.766989 9.58943      1.05688  8.055        1.11482  3.0807   0.171532  2.81871  0.197753  
1 1 1 43 9  25 o 3.04255  0.133014  9.3164       0.809407 10.354       1.14076  8.26441      1.14863  3.19924  0.178286  2.85375  0.20125   
1 1 1 43 9  26 o 2.46348  0.159264  6.13036      0.784687 6.10644      1.11238  6.15405      1.10707  2.44575  0.227411  2.4557   0.225407  
1 1 1 43 9  27 o 1.57758  0.245047  2.56326      0.773163 2.54977      1.03492  2.58029      1.16311  1.52434  0.347126  1.52342  0.382079  
1 1 1 43 9  28 o 3.76821  0.129414  14.3319      0.975317 13.3881      1.37547  15.2864      1.38317  3.62261  0.189845  3.87539  0.178456  
1 1 1 43 9  29 o 2.6643   0.159859  7.20914      0.851825 6.96448      1.20426  7.45413      1.20507  2.5965   0.2319    2.68908  0.224067  
1 1 1 43 9  30 o 2.2219   0.189775  5.06151      0.843324 5.35673      1.21308  4.78537      1.1732   2.25812  0.268605  2.13176  0.275171  
1 1 1 43 9  31 o 1.74001  0.238044  3.15843      0.828394 3.96226      1.16644  2.34043      1.17668  1.9242   0.303097  1.4213   0.398176  
1 1 1 43 9  32 f 1.75881  0.244117  3.25528      0.858711 3.70028      1.2044   2.79519      1.22465  1.80909  0.34525   1.54107  0.395411  
1 1 1 43 9  33 o 1.46321  0.303008  2.41904      0.856807 2.46054      1.23234  2.38022      1.19208  1.41866  0.410781  1.3991   0.403657  
1 1 1 43 9  34 o 0.814619 0.330007  0.48084      0.838126 0.145262     1.18126  0.821038     1.18936  0.841839 0.36858   0.972038 0.393391  
1 1 1 43 9  35 o 1.10951  0.351484  1.49802      0.873151 2.32612      1.21477  0.612901     1.2559   1.33363  0.413174  0.924461 0.391737  
1 1 1 43 9  36 o 2.54979  0.186307  6.92105      0.950091 7.61204      1.31827  6.17421      1.37051  2.60913  0.252627  2.3032   0.297523  
1 1 1 43 9  37 o 0.644586 0.301014  -0.406036    0.954936 -0.975398    1.41726  0.0673705    1.29233  0.710424 0.341562  0.796306 0.363201  
1 1 1 43 9  38 o 1.89025  0.275515  4.32585      1.04158  3.61034      1.54243  4.92565      1.41221  1.43321  0.468214  1.84863  0.393682  
1 1 1 43 9  39 o 0.720537 0.333423  0.234124     1.13799  -0.488577    1.66171  0.87243      1.56167  0.725618 0.35367   0.838117 0.388887  
1 1 1 43 9  40 o 0.702129 0.33108   0.144853     1.2252   -0.834988    1.71173  1.1742       1.75444  0.686332 0.339145  0.838871 0.395743  
1 1 1 43 10 0  o 1.42578  0.322085  2.32197      0.799698 2.32197      0.799698 2.32197      0.799698 1.48462  0.198331  ?        ?         
1 1 1 43 10 1  o 7.04072  0.069295  49.5843      0.975773 47.8992      1.41708  51.1037      1.3456   6.91902  0.102404  7.14702  0.0941372 
1 1 1 43 10 2  f 4.18435  0.0771185 17.5144      0.645382 16.2009      0.948125 18.6485      0.880985 4.02354  0.117822  4.31719  0.102032  
1 1 1 43 10 3  o 5.9626   0.0693769 35.562       0.827333 35.469       1.16064  35.658       1.17964  5.95405  0.0974666 5.96985  0.0987999 
1 1 1 43 10 4  o 6.35505  0.0686635 40.3973      0.87272  39.8256      1.26733  40.9129      1.20357  6.30897  0.100438  6.39474  0.094106  
1 1 1 43 10 5  o 9.28158  0.0784268 86.1786      1.45585  86.882       2.0867   85.5114      2.03215  9.31766  0.111975  9.244    0.109917  
1 1 1 43 10 6  o 10.7745  0.0865723 116.143      1.86555  114.003      2.63828  118.283      2.63829  10.6723  0.123605  10.8709  0.121346  
1 1 1 43 10 7  o 2.19716  0.120514  4.83197      0.529575 5.71314      0.717173 3.77538      0.785323 2.38848  0.150131  1.94047  0.202353  
1 1 1 43 10 8  o 8.13441  0.0754621 66.1942      1.22768  65.7428      1.68372  66.7067      1.79391  8.10519  0.103867  8.16403  0.109867  
1 1 1 43 10 9  o 3.82687  0.0798431 14.6518      0.611099 13.3129      0.84143  16.1462      0.888978 3.64689  0.115363  4.01642  0.110668  
1 1 1 43 10 10 o 5.54112  0.0724936 30.717       0.803392 30.1137      1.16337  31.267       1.11079  5.48509  0.106049  5.58945  0.0993645 
1 1 1 43 10 11 o 5.36499  0.0765548 28.7985      0.821432 26.7589      1.16257  30.8318      1.16079  5.16993  0.112436  5.54989  0.104578  
1 1 1 43 10 12 f 3.47321  0.0918765 12.0737      0.638213 13.4277      0.925212 10.8447      0.881511 3.66138  0.126348  3.29009  0.133964  
1 1 1 43 10 13 o 3.4      0.0901435 11.5704      0.612975 12.9786      0.884615 10.2697      0.850166 3.59958  0.122878  3.20152  0.132775  
1 1 1 43 10 14 o 8.07314  0.0813358 65.2276      1.31327  63.9742      1.93448  66.2991      1.78858  7.9913   0.121037  8.13647  0.109911  
1 1 1 43 10 15 o 5.21385  0.0774278 27.2064      0.807393 27.1534      1.12411  27.2629      1.16041  5.20676  0.107947  5.21699  0.111214  
1 1 1 43 10 16 o 3.14694  0.100268  9.91793      0.631072 9.16655      0.898087 10.6508      0.886958 3.02267  0.148559  3.25907  0.136076  
1 1 1 43 10 17 f 0.976804 0.283708  0.986298     0.586953 1.697        0.858901 0.363595     0.803972 1.26804  0.334003  0.820903 0.326886  
1 1 1 43 10 18 o 3.95784  0.0927886 15.6895      0.734485 15.477       1.03421  15.9057      1.04329  3.92777  0.131653  3.98186  0.131005  
1 1 1 43 10 19 o 5.09839  0.0862668 26.033       0.879644 26.8337      1.18592  25.0537      1.31155  5.17324  0.114621  4.99666  0.131243  
1 1 1 43 10 20 f 3.80847  0.0918192 14.5319      0.699382 14.0849      0.954075 15.051       1.02823  3.74622  0.127338  3.87197  0.132779  
1 1 1 43 10 21 o 2.42611  0.13706   5.91449      0.665046 5.55432      0.901803 6.3439       0.984688 2.34568  0.192226  2.50635  0.196439  
1 1 1 43 10 22 o 3.71834  0.101556  13.8675      0.75524  12.9138      1.02927  14.98        1.11162  3.58292  0.143636  3.85887  0.144034  
1 1 1 43 10 23 o 6.03346  0.0849044 36.4871      1.02454  36.2033      1.41476  36.8         1.48566  6.00334  0.117831  6.05145  0.122753  
1 1 1 43 10 24 o 3.36272  0.121481  11.368       0.817013 12.0056      1.14656  10.7103      1.16451  3.44767  0.166281  3.25382  0.178944  
1 1 1 43 10 25 o 3.95877  0.111864  15.7468      0.88569  15.557       1.23595  15.9472      1.26985  3.92562  0.157421  3.97399  0.15977   
1 1 1 43 10 26 o 2.21255  0.173521  4.95699      0.767849 5.75158      1.05994  4.07949      1.11387  2.37342  0.223295  1.98712  0.280271  
1 1 1 43 10 27 o 3.10303  0.132111  9.71389      0.819889 9.06108      1.09486  10.5474      1.23712  2.98487  0.183402  3.21773  0.192235  
1 1 1 43 10 28 f 0.864949 0.335447  0.561887     0.830277 -0.035364    1.21411  1.08657      1.13796  0.86181  0.375525  1.07886  0.398757  
1 1 1 43 10 29 o 2.26146  0.182539  5.22192      0.82561  4.95844      1.13686  5.51595      1.20095  2.17995  0.260753  2.29908  0.261181  
1 1 1 43 10 30 o 1.99067  0.210478  4.09335      0.837985 5.1615       1.19922  3.07412      1.17145  2.2125   0.271011  1.64657  0.365358  
1 1 1 43 10 31 o 1.88172  0.219854  3.67284      0.827407 3.83443      1.15093  3.5          1.19032  1.89175  0.304199  1.76557  0.349523  
1 1 1 43 10 32 o 0.824475 0.330065  0.470765     0.824503 0.951395     1.16707  -0.00814019  1.16498  1.02484  0.397655  0.832089 0.365158  
1 1 1 43 10 33 o 0.618002 0.285685  -0.508187    0.832723 -0.843383    1.17503  -0.169986    1.18029  0.703375 0.329815  0.7963   0.3571    
1 1 1 43 10 34 o 0.64378  0.294472  -0.383308    0.857621 -0.936699    1.19438  0.205714     1.23223  0.693042 0.326823  0.862196 0.376979  
1 1 1 43 10 35 o 0.511289 0.249834  -1.33851     0.847132 -2.28623     1.19436  -0.379068    1.20172  0.564361 0.27994   0.749959 0.345349  
1 1 1 43 10 36 o 0.79565  0.330302  0.493882     0.863894 0.270638     1.18408  0.747964     1.26322  0.825695 0.364835  0.921958 0.391869  
1 1 1 43 10 37 o 1.00927  0.37456   1.40068      1.0061   3.29212      1.5216   -0.0686865   1.34112  1.40431  0.465041  0.779714 0.361247  
1 1 1 43 10 38 f 0.596114 0.287314  -0.83997     1.01827  0.99932      1.55203  -2.23006     1.34927  0.916762 0.410348  0.581717 0.289797  
1 1 1 43 10 39 o 0.839718 0.366062  1.0723       1.15476  1.33908      1.70503  0.846236     1.56953  0.876989 0.406701  0.821587 0.384514  
1 1 1 43 10 40 o 0.607149 0.297976  -0.70226     1.23554  0.778056     1.71728  -2.2909      1.779    0.768381 0.371024  0.603302 0.304985  
1 1 1 43 11 0  o 6.18292  0.0981786 38.2679      1.21337  38.2679      1.21337  38.2679      1.21337  6.18452  0.0693851 ?        ?         
1 1 1 43 11 1  o 5.0852   0.0701783 25.8665      0.713741 25.5835      1.02573  26.1322      0.993792 5.05653  0.101426  5.11059  0.0972287 
1 1 1 43 11 2  o 8.10301  0.0744664 65.6799      1.2068   65.9041      1.77897  65.4887      1.64255  8.11532  0.109605  8.0901   0.101516  
1 1 1 43 11 3  o 9.33046  0.0833195 87.093       1.55482  84.7162      2.15177  89.6898      2.24916  9.20043  0.116938  9.46653  0.118795  
1 1 1 43 11 4  o 4.46016  0.0713509 19.8992      0.636474 21.06        0.929677 18.8751      0.873195 4.58768  0.101323  4.34322  0.100524  
1 1 1 43 11 5  o 4.14309  0.0772962 17.1716      0.64049  17.7078      0.914465 16.6553      0.897356 4.20649  0.108697  4.07953  0.109983  
1 1 1 43 11 6  o 9.67967  0.078598  93.7338      1.52161  93.1516      2.15462  94.3131      2.14914  9.64752  0.111667  9.70755  0.110694  
1 1 1 43 11 7  o 6.01031  0.0709869 36.1364      0.853306 36.9329      1.19148  35.2978      1.22264  6.0752   0.0980606 5.93898  0.102934  
1 1 1 43 11 8  o 7.06641  0.0717535 49.9532      1.01408  50.067       1.4053   49.8295      1.4648   7.07318  0.0993397 7.05615  0.103796  
1 1 1 43 11 9  o 6.5283   0.0703432 42.6357      0.918444 41.8607      1.25849  43.5188      1.34341  6.4675   0.0972936 6.5941   0.101865  
1 1 1 43 11 10 o 3.21868  0.0907174 10.3676      0.58398  10.1106      0.810357 10.6452      0.842314 3.17739  0.127519  3.26024  0.12918   
1 1 1 43 11 11 o 5.97698  0.0765584 35.7458      0.915175 34.767       1.23547  36.9358      1.36232  5.89306  0.104824  6.0736   0.112151  
1 1 1 43 11 12 o 8.43308  0.0794872 71.1658      1.34064  71.5486      1.90898  70.7933      1.88319  8.45278  0.11292   8.40814  0.111986  
1 1 1 43 11 13 o 3.91705  0.0869027 15.3569      0.680805 15.2435      0.953131 15.475       0.972776 3.90086  0.122169  3.93029  0.123754  
1 1 1 43 11 14 o 1.45947  0.194234  2.14057      0.566956 2.64944      0.805565 1.64111      0.79808  1.62116  0.248453  1.24886  0.318473  
1 1 1 43 11 15 o 3.82303  0.0914681 14.633       0.699369 15.115       1.01255  14.1934      0.967132 3.88305  0.13038   3.76293  0.128508  
1 1 1 43 11 16 o 5.98742  0.0780637 35.8835      0.934801 36.183       1.32578  35.5874      1.31827  6.00943  0.110308  5.95974  0.110598  
1 1 1 43 11 17 o 2.94348  0.10754   8.68178      0.633081 8.32905      0.922191 8.9962       0.870655 2.87946  0.160133  2.99375  0.145412  
1 1 1 43 11 18 o 3.3719   0.104187  11.394       0.702615 11.7132      1.01479  11.1         0.973773 3.41507  0.148576  3.32467  0.146446  
1 1 1 43 11 19 o 5.01552  0.0818664 25.1911      0.821206 25.2315      1.12727  25.1455      1.19875  5.01645  0.112357  5.00701  0.119707  
1 1 1 43 11 20 o 1.87367  0.161206  3.53239      0.604094 3.58363      0.81219  3.46896      0.903763 1.88264  0.215706  1.8494   0.244339  
1 1 1 43 11 21 o 1.76854  0.184655  3.15721      0.65314  3.62733      0.90362  2.6429       0.945137 1.88983  0.239075  1.5796   0.310226  
1 1 1 43 11 22 o 2.85205  0.122326  8.17115      0.697759 8.36786      0.991658 7.97826      0.981973 2.8798   0.172175  2.8116   0.174628  
1 1 1 43 11 23 o 0.687126 0.292422  0.0296592    0.704984 -0.166236    0.953698 0.265663     1.04679  0.754707 0.330801  0.876778 0.36376   
1 1 1 43 11 24 o 5.18844  0.0984478 27.0133      1.02158  27.7973      1.41491  26.1594      1.47653  5.25514  0.134621  5.09534  0.14489   
1 1 1 43 11 25 o 7.15765  0.0947315 51.4144      1.35611  51.955       1.89079  50.8418      1.94606  7.18326  0.131611  7.10386  0.136972  
1 1 1 43 11 26 o 1.51619  0.244044  2.36327      0.740033 1.31301      1.04038  3.43886      1.05286  1.13422  0.384537  1.81901  0.289405  
1 1 1 43 11 27 f 1.86765  0.205877  3.56629      0.769015 4.51111      1.04944  2.47055      1.13015  2.08929  0.251147  1.48827  0.378657  
1 1 1 43 11 28 o 3.57316  0.124241  12.884       0.887866 12.3433      1.22667  13.479       1.28675  3.48147  0.176171  3.63785  0.176856  
1 1 1 43 11 29 o 0.6609   0.29521   -0.25128     0.799579 -2.0404      1.11577  1.63747      1.14641  0.578597 0.283707  1.22257  0.403656  
1 1 1 43 11 30 o 2.38843  0.182702  5.8479       0.872744 6.45474      1.26897  5.30323      1.20223  2.48032  0.255808  2.24309  0.267984  
1 1 1 43 11 31 o 0.544675 0.262039  -1.12397     0.837454 -2.01062     1.1729   -0.201875    1.19612  0.598219 0.292697  0.813765 0.362344  
1 1 1 43 11 32 o 0.749063 0.316452  0.190612     0.815504 1.4726       1.15657  -1.07697     1.15005  1.14871  0.404293  0.674782 0.3191    
1 1 1 43 11 33 o 0.906407 0.339061  0.813906     0.82768  0.676032     1.16178  0.956006     1.17945  0.940393 0.385893  1.0043   0.39718   
1 1 1 43 11 34 o 0.903402 0.341926  0.820878     0.84781  -0.0827874   1.18417  1.77124      1.21437  0.798783 0.357963  1.19298  0.414809  
1 1 1 43 11 35 o 1.33886  0.327055  2.18926      0.869459 1.75128      1.20778  2.6604       1.25265  1.15402  0.412438  1.40069  0.416723  
1 1 1 43 11 36 o 0.722085 0.316777  0.145929     0.876115 1.1865       1.28546  -0.756762    1.19727  1.00295  0.40779   0.687485 0.325332  
1 1 1 43 11 37 o 0.852068 0.35086   0.814783     0.963716 0.853375     1.40652  0.780632     1.32311  0.905074 0.399062  0.885622 0.388899  
1 1 1 43 11 38 o 0.58081  0.281098  -0.886875    1.00716  -1.41004     1.49451  -0.451597    1.3632   0.65936  0.32479   0.710706 0.340062  
1 1 1 43 11 39 o 0.792464 0.355051  0.817361     1.16439  0.693236     1.69125  0.929218     1.60549  0.805844 0.383853  0.824736 0.386506  
1 1 1 43 11 40 o 0.715133 0.336928  0.646796     1.26371  1.10389      1.78256  0.184957     1.79179  0.760231 0.369566  0.701235 0.346624  
1 1 1 43 12 0  o 6.0421   0.101971  36.5497      1.23144  36.5497      1.23144  36.5497      1.23144  6.04386  0.0720597 ?        ?         
1 1 1 43 12 1  o 6.96671  0.0705337 48.55        0.982776 48.1671      1.39393  48.9285      1.38582  6.93807  0.100455  6.99275  0.0990897 
1 1 1 43 12 2  o 9.95212  0.0783704 99.0827      1.5599   95.5141      2.16773  102.915      2.24645  9.76934  0.110945  10.1408  0.110763  
1 1 1 43 12 3  o 6.14148  0.0679363 37.7289      0.834458 38.0211      1.18312  37.4396      1.17711  6.1643   0.0959656 6.11697  0.0962165 
1 1 1 43 12 4  o 4.28323  0.0718073 18.3522      0.615134 18.2057      0.878765 18.493       0.861358 4.26531  0.103013  4.29892  0.100183  
1 1 1 43 12 5  o 5.6148   0.0690947 31.5362      0.775906 29.9523      1.06719  33.3123      1.1301   5.47107  0.0975306 5.76977  0.0979327 
1 1 1 43 12 6  o 2.61131  0.0955722 6.82341      0.499138 6.32765      0.685413 7.38317      0.728313 2.51379  0.136331  2.71543  0.134106  
1 1 1 43 12 7  o 9.68932  0.081218  93.9299      1.57389  92.46        2.20595  95.454       2.24624  9.61075  0.114765  9.76509  0.115014  
1 1 1 43 12 8  f 7.54486  0.070038  56.9478      1.05685  57.1747      1.5156   56.7331      1.47448  7.55825  0.100261  7.52915  0.0979184 
1 1 1 43 12 9  o 4.59119  0.0727567 21.0892      0.66808  21.6347      0.969724 20.5963      0.921719 4.64901  0.104293  4.53619  0.101596  
1 1 1 43 12 10 o 16.9035  0.126203  286.196      4.26654  279.023      5.90517  294.03       6.17121  16.6775  0.17704   17.1191  0.180244  
1 1 1 43 12 11 o 7.52371  0.0780687 56.6435      1.17473  56.7025      1.64555  56.5821      1.67756  7.52526  0.109335  7.51706  0.111584  
1 1 1 43 12 12 o 3.4268   0.0889637 11.7537      0.609722 12.0677      0.871556 11.4527      0.853289 3.47069  0.125559  3.38108  0.126186  
1 1 1 43 12 13 o 4.20271  0.0828819 17.6783      0.696657 17.5988      0.990048 17.7562      0.980467 4.19137  0.118106  4.21016  0.11644   
1 1 1 43 12 14 o 4.28178  0.0817278 18.3508      0.699881 18.7065      0.985907 17.9893      0.9937   4.32116  0.114079  4.23729  0.117256  
1 1 1 43 12 15 o 2.32637  0.126882  5.42515      0.590346 6.00113      0.837055 4.85512      0.832713 2.44424  0.17123   2.19741  0.189476  
1 1 1 43 12 16 o 3.47206  0.0977471 12.0747      0.678769 12.7773      0.967997 11.395       0.952049 3.56896  0.135613  3.36993  0.141257  
1 1 1 43 12 17 o 1.36841  0.221811  1.88987      0.607055 2.74693      0.889569 1.14287      0.830485 1.64612  0.270202  1.0685   0.343226  
1 1 1 43 12 18 o 5.46702  0.0812811 29.9288      0.888731 31.813       1.30957  28.3201      1.21003  5.63256  0.11625   5.31465  0.113839  
1 1 1 43 12 19 o 8.50352  0.0883124 72.4366      1.50193  73.4315      2.05386  71.293       2.20198  8.55545  0.120032  8.42745  0.130643  
1 1 1 43 12 20 o 2.86214  0.118507  8.22137      0.678369 8.41373      0.921641 7.99394      1.00212  2.89128  0.159383  2.81599  0.177934  
1 1 1 43 12 21 o 2.72487  0.123409  7.45755      0.672547 6.86619      0.950591 8.05023      0.951661 2.60796  0.182248  2.82583  0.168386  
1 1 1 43 12 22 o 1.78341  0.178064  3.21262      0.635124 1.71236      0.865837 4.96022      0.934488 1.26332  0.336541  2.21134  0.211294  
1 1 1 43 12 23 o 4.82574  0.0965596 23.3662      0.931944 22.3745      1.25988  24.5646      1.38491  4.71491  0.133606  4.93868  0.14021   
1 1 1 43 12 24 o 6.67602  0.089251  44.7015      1.19168  43.8026      1.67345  45.6263      1.69739  6.5985   0.126806  6.73471  0.126018  
1 1 1 43 12 25 o 5.10555  0.103454  26.179       1.05638  28.6334      1.50764  23.8117      1.48061  5.32938  0.141446  4.85683  0.152426  
1 1 1 43 12 26 o 4.61126  0.0986874 21.3674      0.910146 20.5361      1.23552  22.3539      1.34582  4.51063  0.136957  4.70405  0.143049  
1 1 1 43 12 27 o 1.00839  0.333281  1.05098      0.781517 0.412973     1.07544  1.76493      1.13764  0.904194 0.371198  1.26806  0.40115   
1 1 1 43 12 28 o 0.94974  0.330507  0.891813     0.771073 -0.255301    1.06011  2.18041      1.12358  0.768368 0.341655  1.38987  0.388997  
1 1 1 43 12 29 o 1.28013  0.318854  1.82038      0.814252 1.81008      1.14137  1.83106      1.16195  1.26883  0.40185   1.27566  0.405603  
1 1 1 43 12 30 o 2.94458  0.153847  8.82686      0.906031 9.81803      1.2829   7.84056      1.27975  3.0829   0.208068  2.74378  0.233209  
1 1 1 43 12 31 o 0.834121 0.337478  0.447512     0.874946 1.13737      1.23628  -0.244766    1.23844  1.0823   0.411939  0.818341 0.366418  
1 1 1 43 12 32 o 1.93292  0.219921  3.92655      0.850176 3.78635      1.20591  4.0651       1.19878  1.81515  0.344646  1.92033  0.312129  
1 1 1 43 12 33 o 0.636624 0.291745  -0.409726    0.84621  -0.0557012   1.15853  -0.814608    1.23896  0.802822 0.357063  0.724261 0.339439  
1 1 1 43 12 34 o 1.65659  0.257586  3.01161      0.853429 3.22406      1.20505  2.79783      1.20882  1.60876  0.380101  1.47982  0.399213  
1 1 1 43 12 35 o 1.82096  0.24846   3.68992      0.904872 3.19865      1.21195  4.30874      1.36021  1.55913  0.389405  1.82618  0.384505  
1 1 1 43 12 36 o 1.00476  0.361213  1.30492      0.927602 -0.210202    1.39327  2.51118      1.24318  0.789846 0.366809  1.31044  0.419832  
1 1 1 43 12 37 o 0.555231 0.270907  -1.1829      0.984403 -1.47094     1.39815  -0.89975     1.38624  0.64914  0.31807   0.691362 0.333714  
1 1 1 43 12 38 o 0.759089 0.338651  0.531845     1.04932  0.387825     1.62119  0.635682     1.37657  0.804208 0.379692  0.810275 0.371649  
1 1 1 43 12 39 o 0.82424  0.361719  0.977335     1.14317  2.65889      1.58031  -0.868508    1.6557   1.06959  0.445548  0.690181 0.339944  
1 1 1 43 13 0  f 15.3893  0.159076  237.107      4.89497  237.107      4.89497  237.107      4.89497  15.3937  0.112438  ?        ?         
1 1 1 43 13 1  o 11.2936  0.0871011 127.61       1.96737  124.834      2.70982  130.704      2.86087  11.1673  0.121328  11.4265  0.125186  
1 1 1 43 13 2  o 13.9145  0.101951  193.75       2.8372   191.716      4.03035  195.748      3.99471  13.836   0.145647  13.9811  0.142861  
1 1 1 43 13 3  o 6.61248  0.0688493 43.7393      0.91053  43.5732      1.28397  43.9074      1.29143  6.5988   0.0972881 6.62405  0.0974804 
1 1 1 43 13 4  o 9.30344  0.0771047 86.591       1.43468  88.8184      2.06172  84.4999      1.99768  9.42025  0.10943   9.18843  0.108706  
1 1 1 43 13 5  o 8.62785  0.0762358 74.4722      1.3155   74.0738      1.8686   74.8637      1.85231  8.60277  0.108604  8.64862  0.107087  
1 1 1 43 13 6  o 3.89088  0.0767353 15.146       0.597136 15.9973      0.88995  14.4489      0.805331 3.99769  0.111308  3.79946  0.10598   
1 1 1 43 13 7  o 5.67099  0.0702012 32.1736      0.796222 33.0502      1.1411   31.3419      1.11153  5.74651  0.0992866 5.59603  0.0993146 
1 1 1 43 13 8  o 0.533405 0.231743  -0.0781986   0.459778 -0.461033    0.641424 0.32639      0.659396 0.555777 0.254405  0.755287 0.29752   
1 1 1 43 13 9  o 10.8034  0.0890029 116.809      1.92307  114.783      2.68791  118.933      2.75249  10.7051  0.125544  10.8968  0.126299  
1 1 1 43 13 10 o 4.19308  0.0767791 17.5931      0.643881 19.6006      0.97159  16.021       0.859795 4.42438  0.1098    4.00013  0.107471  
1 1 1 43 13 11 o 4.41495  0.075175  19.5043      0.663787 18.8984      0.935456 20.1189      0.942051 4.34434  0.107664  4.48257  0.105079  
1 1 1 43 13 12 o 9.06112  0.0838165 82.1762      1.51894  80.76        2.1086   83.7038      2.18993  8.97889  0.11742   9.14075  0.119789  
1 1 1 43 13 13 o 4.85559  0.0816787 23.5984      0.793197 22.8692      1.08991  24.4196      1.15655  4.77788  0.114058  4.93694  0.117132  
1 1 1 43 13 14 o 7.12846  0.0759792 50.8584      1.08323  50.0112      1.56051  51.6462      1.50484  7.06543  0.110433  7.18064  0.104785  
1 1 1 43 13 15 o 11.2429  0.0972571 126.597      2.1869   128.085      3.07223  125.069      3.11368  11.3003  0.135936  11.1656  0.139431  
1 1 1 43 13 16 o 6.72221  0.0807469 45.2415      1.0856   45.6315      1.5215   44.837       1.54941  6.74732  0.112748  6.68789  0.115837  
1 1 1 43 13 17 o 6.40284  0.0824125 41.0518      1.05535  42.733       1.45629  39.1925      1.53153  6.52898  0.111525  6.25108  0.122501  
1 1 1 43 13 18 o 4.89729  0.0820003 24.0179      0.803159 23.1327      1.07495  25.1366      1.20841  4.80327  0.111897  5.00591  0.120698  
1 1 1 43 13 19 o 4.69408  0.0878755 22.0752      0.824989 22.6772      1.17953  21.4988      1.1543   4.75328  0.124076  4.62804  0.124707  
1 1 1 43 13 20 o 4.58188  0.0922551 21.043       0.845403 22.6661      1.14026  19.0616      1.25983  4.75153  0.119988  4.3535   0.144691  
1 1 1 43 13 21 o 3.23682  0.1043    10.5114      0.675198 9.67638      0.909685 11.5358      1.00754  3.10063  0.146694  3.38515  0.148818  
1 1 1 43 13 22 o 1.22292  0.280899  1.59393      0.672966 1.55035      0.948799 1.63805      0.954662 1.2093   0.363267  1.23891  0.362463  
1 1 1 43 13 23 o 3.96956  0.10696   15.822       0.849166 16.1795      1.15483  15.4012      1.25297  4.00736  0.144088  3.90631  0.160378  
1 1 1 43 13 24 o 4.22144  0.101151  17.8926      0.854003 19.0943      1.23258  16.783       1.18435  4.35251  0.141594  4.07977  0.145149  
1 1 1 43 13 25 o 3.36874  0.125558  11.4277      0.845947 11.0074      1.16572  11.8953      1.22952  3.29489  0.176899  3.4245   0.179518  
1 1 1 43 13 26 o 1.7215   0.210055  3.0302       0.723217 3.07065      0.982714 2.9824       1.06819  1.69096  0.301407  1.65449  0.334514  
1 1 1 43 13 27 o 5.28621  0.10513   28.1235      1.11147  29.8666      1.52446  26.1454      1.62398  5.43398  0.140271  5.07556  0.15998   
1 1 1 43 13 28 f 0.835754 0.322629  0.537372     0.766189 0.325569     1.07394  0.756932     1.09343  0.880551 0.36708   0.981993 0.384105  
1 1 1 43 13 29 o 3.23411  0.142786  10.6183      0.923575 10.5091      1.26844  10.7415      1.3474   3.19542  0.198477  3.22563  0.208858  
1 1 1 43 13 30 o 2.28704  0.183291  5.36607      0.83839  4.77259      1.16481  6.00403      1.20767  2.12383  0.274225  2.39217  0.252422  
1 1 1 43 13 31 o 1.74055  0.254573  3.20322      0.886194 2.97023      1.23613  3.4496       1.27113  1.59033  0.390888  1.72401  0.378935  
1 1 1 43 13 32 o 3.28223  0.143055  11.0226      0.939078 9.59829      1.28667  12.6461      1.37371  3.02119  0.212942  3.47988  0.197379  
1 1 1 43 13 33 o 1.51609  0.299827  2.62516      0.876782 1.36677      1.22632  3.94111      1.25405  1.09908  0.412402  1.8223   0.35681   
1 1 1 43 13 34 o 1.01394  0.34674   1.21683      0.845913 1.07009      1.19076  1.36633      1.20192  1.00256  0.398262  1.07203  0.406715  
1 1 1 43 13 35 o 0.571658 0.2738    -0.886841    0.889241 -0.243814    1.22665  -1.59906     1.29096  0.762153 0.350101  0.639421 0.31167   
1 1 1 43 13 36 o 0.892715 0.352681  0.939505     0.929075 0.069959     1.33551  1.75499      1.29333  0.801878 0.367072  1.09042  0.419536  
1 1 1 43 13 37 o 0.619323 0.292445  -0.504212    0.962435 -1.63073     1.41088  0.476213     1.31622  0.637889 0.314193  0.827658 0.373842  
1 1 1 43 13 38 o 0.534422 0.264567  -1.41943     1.05377  -1.58458     1.63591  -1.30231     1.37766  0.650559 0.323394  0.620737 0.306135  
1 1 1 43 13 39 o 0.644816 0.30916   -0.266213    1.14117  -0.110249    1.58164  -0.435565    1.64813  0.7194   0.349214  0.703751 0.34499   
1 1 1 43 14 0  o 10.3983  0.118648  108.223      2.46674  108.223      2.46674  108.223      2.46674  10.4006  0.0838652 ?        ?         
1 1 1 43 14 1  o 9.39171  0.0805967 88.2466      1.51388  88.2489      2.19382  88.2446      2.09173  9.38929  0.116826  9.38949  0.111386  
1 1 1 43 14 2  o 12.7215  0.0953567 161.948      2.42617  162.909      3.48435  161.044      3.38026  12.7546  0.136593  12.6817  0.133273  
1 1 1 43 14 3  o 6.11926  0.0690743 37.4591      0.845367 36.9053      1.18576  38.0315      1.20555  6.07272  0.0976298 6.16468  0.0977787 
1 1 1 43 14 4  f 1.34343  0.166224  1.80877      0.446622 2.22309      0.605209 1.31332      0.661817 1.48853  0.203291  1.12141  0.292181  
1 1 1 43 14 5  o 6.03842  0.0668914 36.4762      0.807837 35.2701      1.11073  37.8307      1.17707  5.93667  0.0935479 6.14829  0.095723  
1 1 1 43 14 6  o 4.69721  0.0673207 22.0727      0.632439 20.9941      0.863959 23.3179      0.92831  4.58011  0.0943165 4.82686  0.0961608 
1 1 1 43 14 7  f 5.51619  0.0714804 30.4434      0.788599 32.1777      1.11132  28.6845      1.11921  5.66991  0.0980019 5.35297  0.104541  
1 1 1 43 14 8  o 8.4978   0.0781221 72.2586      1.32773  72.2917      1.94947  72.2299      1.81331  8.49667  0.11472   8.49381  0.106743  
1 1 1 43 14 9  o 5.59938  0.0704736 31.3701      0.789218 30.5995      1.16517  32.0233      1.07279  5.52835  0.105382  5.65615  0.0948339 
1 1 1 43 14 10 o 5.9678   0.0696103 35.6343      0.83084  37.4533      1.22733  34.0956      1.12881  6.11637  0.100331  5.83601  0.096711  
1 1 1 43 14 11 o 6.12994  0.070309  37.5992      0.86198  37.6583      1.22131  37.5406      1.21675  6.13285  0.0995709 6.12326  0.099355  
1 1 1 43 14 12 o 0.932239 0.26213   0.901413     0.509048 0.789982     0.749606 0.996781     0.693473 0.933736 0.325784  0.996278 0.312886  
1 1 1 43 14 13 o 3.023    0.0969165 9.15108      0.585958 9.32247      0.832736 8.98299      0.824663 3.0491   0.136555  2.99299  0.137766  
1 1 1 43 14 14 o 8.98425  0.090655  80.822       1.62893  81.736       2.28066  79.8702      2.32737  9.02927  0.126293  8.92487  0.130387  
1 1 1 43 14 15 o 5.60186  0.0801737 31.4163      0.898243 32.2408      1.24952  30.5346      1.29216  5.67201  0.110148  5.51912  0.117063  
1 1 1 43 14 16 o 3.92323  0.091378  15.4166      0.716994 16.1065      0.996484 14.676       1.03244  4.0073   0.124333  3.8242   0.134987  
1 1 1 43 14 17 o 2.41418  0.132811  5.8496       0.641258 5.73692      0.890107 5.97119      0.924629 2.38664  0.186477  2.43456  0.189897  
1 1 1 43 14 18 o 2.53866  0.124282  6.46756      0.631022 6.75495      0.850584 6.11578      0.941059 2.59109  0.164136  2.46279  0.191055  
1 1 1 43 14 19 o 4.01876  0.0930107 16.1868      0.747576 16.1424      1.04696  16.233       1.06781  4.00893  0.130579  4.01986  0.132817  
1 1 1 43 14 20 o 5.18556  0.0831845 26.944       0.862716 26.8129      1.17074  27.0997      1.2762   5.16859  0.113256  5.19447  0.122842  
1 1 1 43 14 21 o 3.24479  0.108562  10.5681      0.704524 10.0164      0.949542 11.2437      1.05083  3.15342  0.150557  3.33992  0.157314  
1 1 1 43 14 22 o 0.674739 0.288501  0.00579645   0.691913 -0.212338    0.962758 0.238818     0.995068 0.749211 0.330274  0.851813 0.354109  
1 1 1 43 14 23 o 2.89098  0.123357  8.40452      0.713245 9.26342      0.985667 7.46044      1.03339  3.02876  0.162718  2.71321  0.190436  
1 1 1 43 14 24 o 3.04948  0.12991   9.36223      0.792319 10.9763      1.10623  7.66209      1.13535  3.29434  0.167899  2.74443  0.206847  
1 1 1 43 14 25 f 2.78541  0.139555  7.8337       0.777439 8.51746      1.03399  6.94444      1.17919  2.89577  0.178535  2.60246  0.226553  
1 1 1 43 14 26 o 2.05195  0.17875   4.28389      0.73357  4.34628      1.0283   4.21925      1.0468   2.04975  0.250835  2.01723  0.259465  
1 1 1 43 14 27 o 2.28048  0.17367   5.29461      0.792102 5.25095      1.07955  5.34554      1.16582  2.25294  0.239587  2.26742  0.257081  
1 1 1 43 14 28 o 4.29398  0.110946  18.5904      0.9528   18.1083      1.29934  19.1512      1.40136  4.22196  0.153879  4.33839  0.161507  
1 1 1 43 14 29 o 3.27217  0.138698  10.8624      0.907683 10.699       1.2634   11.0367      1.30492  3.2246   0.195901  3.27347  0.199317  
1 1 1 43 14 30 o 2.81347  0.155108  8.07535      0.872783 8.06954      1.22572  8.08132      1.24306  2.78482  0.220072  2.78533  0.223145  
1 1 1 43 14 31 o 2.56034  0.176567  6.75376      0.904141 8.10458      1.2704   5.36725      1.28706  2.77746  0.228698  2.2286   0.288761  
1 1 1 43 14 32 o 0.905443 0.348367  0.768634     0.891745 1.60784      1.19625  -0.280983    1.33783  1.16647  0.411106  0.824324 0.374247  
1 1 1 43 14 33 f 1.22858  0.335667  1.80008      0.847948 1.00787      1.1514   2.73893      1.25344  0.999499 0.39333   1.46548  0.41109   
1 1 1 43 14 34 o 0.651226 0.296982  -0.28128     0.863314 -0.791746    1.17937  0.308026     1.26718  0.689294 0.324969  0.862838 0.379732  
1 1 1 43 14 35 o 1.02986  0.357166  1.33933      0.899827 1.03717      1.30688  1.61171      1.24079  0.978774 0.406285  1.0986   0.414282  
1 1 1 43 14 36 o 0.784836 0.333988  0.521322     0.919567 -0.772276    1.32292  1.73067      1.27911  0.696621 0.333725  1.0697   0.416048  
1 1 1 43 14 37 f 0.80669  0.344139  0.665153     0.980599 0.0305602    1.37242  1.32702      1.4016   0.772891 0.360904  0.956607 0.409868  
1 1 1 43 14 38 o 1.30073  0.396872  2.96352      1.12659  1.9355       1.65626  3.84872      1.5369   0.94335  0.423033  1.31687  0.465791  
1 1 1 43 14 39 o 0.612796 0.297877  -0.421328    1.15777  0.156003     1.58028  -1.09027     1.70105  0.707352 0.34479   0.642755 0.320929  
1 1 1 43 15 0  o 16.3877  0.176548  268.996      5.78493  268.996      5.78493  268.996      5.78493  16.3944  0.124772  ?        ?         
1 1 1 43 15 1  o 6.82971  0.0723323 46.6651      0.988016 45.8375      1.39138  47.5069      1.40322  6.76735  0.102801  6.88954  0.101837  
1 1 1 43 15 2  o 5.74127  0.0700939 32.9758      0.804856 33.1665      1.15588  32.7964      1.12138  5.75657  0.100397  5.72448  0.0979456 
1 1 1 43 15 3  o 8.32086  0.0732384 69.2689      1.21881  69.6501      1.73763  68.8998      1.71002  8.34172  0.104153  8.29675  0.103054  
1 1 1 43 15 4  o 6.18133  0.0659605 38.224       0.815448 38.4743      1.16381  37.9825      1.14291  6.20029  0.093851  6.16059  0.09276   
1 1 1 43 15 5  f 5.8685   0.0687053 34.4549      0.806395 33.2382      1.13673  35.6875      1.14413  5.76259  0.0986305 5.97128  0.0958028 
1 1 1 43 15 6  o 7.60037  0.0736675 57.7978      1.1198   55.2489      1.54899  60.5883      1.62071  7.42885  0.104255  7.77956  0.104165  
1 1 1 43 15 7  o 8.02468  0.076594  64.4357      1.22928  64.1713      1.71604  64.7143      1.76181  8.00585  0.107174  8.03942  0.109573  
1 1 1 43 15 8  o 4.4913   0.0823455 20.1869      0.739677 20.8503      1.08004  19.6008      1.0151   4.56269  0.118355  4.42407  0.114725  
1 1 1 43 15 9  o 7.25588  0.0780078 52.6849      1.13203  52.3432      1.64091  52.9951      1.56374  7.22944  0.113488  7.27489  0.107476  
1 1 1 43 15 10 o 4.19759  0.081263  17.6343      0.682217 17.2585      0.952553 18.03        0.977532 4.15091  0.11474   4.24265  0.115203  
1 1 1 43 15 11 o 2.95496  0.0906385 8.74159      0.535667 9.03954      0.839886 8.53729      0.695478 3.00258  0.139861  2.91904  0.119128  
1 1 1 43 15 12 o 3.91305  0.0783809 15.3255      0.613416 15.1354      0.896844 15.4927      0.840862 3.88665  0.115375  3.9328   0.106904  
1 1 1 43 15 13 o 3.5725   0.0864775 12.7776      0.617882 12.9452      0.892673 12.6236      0.856106 3.59357  0.124204  3.5489   0.120616  
1 1 1 43 15 14 o 3.49929  0.0898496 12.262       0.62882  12.428       0.915424 12.1138      0.865266 3.52019  0.130025  3.47582  0.124469  
1 1 1 43 15 15 o 1.65342  0.167638  2.74826      0.554351 2.54416      0.801661 2.93528      0.767401 1.58552  0.252807  1.70515  0.225025  
1 1 1 43 15 16 o 5.7216   0.0774757 32.7767      0.88657  33.9053      1.25725  31.6604      1.25037  5.81595  0.108087  5.61972  0.111249  
1 1 1 43 15 17 o 3.6861   0.0984494 13.6162      0.725788 14.1325      0.993948 13.0265      1.0623   3.75215  0.132451  3.60068  0.147513  
1 1 1 43 15 18 o 2.15178  0.146155  4.65449      0.628985 4.7884       0.86189  4.50191      0.919988 2.17779  0.197882  2.10949  0.21806   
1 1 1 43 15 19 o 0.840066 0.289891  0.659436     0.592143 0.598751     0.800415 0.732801     0.880075 0.881253 0.332616  0.9441   0.350328  
1 1 1 43 15 20 o 1.33164  0.239841  1.85758      0.615463 2.02576      0.837033 1.65963      0.908097 1.37699  0.311224  1.24674  0.349962  
1 1 1 43 15 21 o 4.34348  0.094722  18.9231      0.822845 19.3595      1.13417  18.4381      1.19561  4.38742  0.129253  4.2797   0.139684  
1 1 1 43 15 22 o 2.93732  0.127774  8.67837      0.750625 9.13406      1.05786  8.21628      1.06527  3.00547  0.175988  2.84845  0.186992  
1 1 1 43 15 23 o 4.54629  0.091582  20.7368      0.832718 21.332       1.1612   20.1067      1.1948   4.60432  0.1261    4.46841  0.133694  
1 1 1 43 15 24 o 3.451    0.120384  11.9835      0.830893 11.7796      1.12659  12.2268      1.23038  3.4121   0.165087  3.47321  0.177125  
1 1 1 43 15 25 o 0.508878 0.241999  -0.798231    0.669763 -0.739824    0.914607 -0.865771    0.983519 0.63745  0.296481  0.649955 0.304222  
1 1 1 43 15 26 o 2.57433  0.150482  6.71338      0.774778 7.54886      1.08368  5.83979      1.10813  2.71654  0.199461  2.37966  0.232833  
1 1 1 43 15 27 o 3.1974   0.130484  10.3317      0.834419 10.4968      1.15562  10.1519      1.20609  3.2073   0.180155  3.15008  0.191438  
1 1 1 43 15 28 o 4.52069  0.106723  20.6039      0.964918 20.4881      1.35954  20.7216      1.36972  4.48962  0.151409  4.515    0.151686  
1 1 1 43 15 29 o 2.81813  0.149237  8.07702      0.84114  8.4268       1.16213  7.69217      1.21901  2.85805  0.203308  2.72174  0.22394   
1 1 1 43 15 30 o 3.46192  0.135934  12.1793      0.941188 11.2151      1.30724  13.2171      1.35619  3.29248  0.198519  3.57964  0.189431  
1 1 1 43 15 31 o 2.7112   0.16485   7.56228      0.893884 8.366        1.2812   6.79997      1.24775  2.8164   0.227453  2.52754  0.246832  
1 1 1 43 15 32 o 2.68435  0.180305  7.49584      0.968006 7.81983      1.30966  7.1057       1.43714  2.69987  0.242541  2.543    0.282569  
1 1 1 43 15 33 o 0.888518 0.338454  0.792905     0.835097 0.718686     1.14948  0.875866     1.21528  0.929312 0.383014  0.972907 0.396192  
1 1 1 43 15 34 o 1.45877  0.316296  2.57746      0.896846 2.49816      1.24978  2.66166      1.28774  1.34355  0.419658  1.38225  0.42483   
1 1 1 43 15 35 o 0.66142  0.298249  -0.0821871   0.834225 0.952165     1.17133  -1.1469      1.1884   0.935454 0.386244  0.640024 0.308946  
1 1 1 43 15 36 o 0.698154 0.317663  0.0125367    0.975616 -0.565308    1.39058  0.572686     1.36913  0.724571 0.345919  0.853762 0.38369   
1 1 1 43 15 37 o 0.680206 0.31222   0.0576362    0.973507 1.08355      1.40893  -0.879617    1.34667  0.885312 0.393758  0.66038  0.321087  
1 1 1 43 15 38 o 0.966165 0.385667  1.7103       1.1216   -0.18484     1.53165  3.90161      1.64699  0.719581 0.34798   1.27675  0.478154  
1 1 1 43 15 39 f 0.590863 0.287765  -0.408506    1.09228  -0.095718    1.53179  -0.732078    1.55797  0.666509 0.328304  0.63     0.313508  
1 1 1 43 16 0  o 2.78881  0.142672  7.84575      0.791016 7.84575      0.791016 7.84575      0.791016 2.79498  0.100354  ?        ?         
1 1 1 43 16 1  f 3.34704  0.088366  11.211       0.591529 10.8294      0.814981 11.6358      0.859923 3.28842  0.123917  3.40855  0.126142  
1 1 1 43 16 2  o 6.29648  0.0705363 39.6647      0.88826  40.2774      1.25305  39.0459      1.25935  6.34346  0.0987668 6.24561  0.100819  
1 1 1 43 16 3  o 3.96904  0.0714409 15.7613      0.567104 15.7194      0.788902 15.8062      0.815785 3.96282  0.0995379 3.97362  0.10265   
1 1 1 43 16 4  o 7.40174  0.0696765 54.8133      1.03145  53.0391      1.4564   56.5986      1.461    7.27906  0.100041  7.51957  0.0971465 
1 1 1 43 16 5  o 5.43313  0.0711543 29.5347      0.77318  29.4646      1.12488  29.5975      1.0645   5.42506  0.103674  5.43762  0.0978834 
1 1 1 43 16 6  o 9.65003  0.0852701 93.1968      1.64572  92.8714      2.28379  93.5484      2.3736   9.62962  0.118581  9.66412  0.122805  
1 1 1 43 16 7  o 9.04274  0.0843021 81.8365      1.52464  81.1403      2.17767  82.5059      2.1353   9.00036  0.120977  9.07619  0.117632  
1 1 1 43 16 8  o 6.27255  0.076658  39.3723      0.961682 39.2086      1.39617  39.5201      1.32655  6.25704  0.111568  6.28233  0.105578  
1 1 1 43 16 9  o 5.75751  0.0766529 33.1737      0.882661 33.5904      1.27541  32.7907      1.2228   5.79125  0.110115  5.72216  0.106847  
1 1 1 43 16 10 f 2.31551  0.131981  5.37441      0.611206 5.0812       0.877558 5.65064      0.851769 2.24829  0.195162  2.37187  0.179556  
1 1 1 43 16 11 o 3.38957  0.100069  11.5059      0.678385 10.5814      0.976796 12.3672      0.942867 3.24756  0.150389  3.5121   0.134231  
1 1 1 43 16 12 o 3.4395   0.0806663 11.8421      0.554904 11.4238      0.823079 12.1906      0.751324 3.37599  0.121902  3.48834  0.107691  
1 1 1 43 16 13 o 4.83446  0.0739444 23.3937      0.714963 23.5523      1.04426  23.2537      0.980927 4.84828  0.107694  4.81795  0.101799  
1 1 1 43 16 14 o 0.805323 0.270741  0.61637      0.515735 1.26816      0.741103 0.00431569   0.718156 1.10329  0.31826   0.691978 0.294833  
1 1 1 43 16 15 o 2.92109  0.104744  8.55151      0.611933 8.95592      0.884145 8.17966      0.847805 2.98612  0.148042  2.85374  0.148543  
1 1 1 43 16 16 o 2.43319  0.122842  5.93942      0.597798 6.30118      0.879498 5.62876      0.815009 2.50207  0.175754  2.3651   0.172299  
1 1 1 43 16 17 o 0.934786 0.284602  0.895941     0.579765 1.04643      0.823173 0.747814     0.816688 1.03162  0.342048  0.933452 0.338597  
1 1 1 43 16 18 o 2.00392  0.15675   4.04214      0.62823  3.67463      0.85883  4.46512      0.921365 1.9041   0.225522  2.09968  0.219405  
1 1 1 43 16 19 o 2.97928  0.110324  8.90779      0.657373 10.1271      0.895989 7.48623      0.967452 3.1731   0.141185  2.7236   0.177605  
1 1 1 43 16 20 f 1.86796  0.179839  3.52543      0.671862 3.88142      0.882863 3.03558      1.03563  1.95401  0.225911  1.68944  0.318167  
1 1 1 43 16 21 o 0.888304 0.314659  0.722298     0.701598 0.954968     0.952567 0.446421     1.03725  1.02137  0.366155  0.912226 0.36812   
1 1 1 43 16 22 o 1.99208  0.166739  4.00894      0.664315 3.60042      0.871923 4.57423      1.02565  1.87883  0.232039  2.11584  0.242375  
1 1 1 43 16 23 o 6.11231  0.091747  37.4861      1.12157  37.6832      1.58576  37.2889      1.58652  6.11798  0.129598  6.08566  0.130349  
1 1 1 43 16 24 o 3.28881  0.124451  10.8992      0.818594 11.2054      1.10123  10.521       1.22378  3.32514  0.165591  3.21515  0.190314  
1 1 1 43 16 25 o 1.10808  0.299867  1.33066      0.680718 1.26512      0.939124 1.40322      0.988104 1.1014   0.365345  1.15023  0.374751  
1 1 1 43 16 26 o 2.2224   0.170296  5.02377      0.756934 4.7975       1.03922  5.27946      1.10472  2.15354  0.241281  2.25808  0.244614  
1 1 1 43 16 27 o 2.60692  0.155074  6.90303      0.808528 6.79302      1.11542  7.02483      1.17367  2.56678  0.217279  2.60735  0.225069  
1 1 1 43 16 28 o 0.714993 0.304294  0.0949897    0.763455 -0.830506    1.07149  1.04936      1.08808  0.682625 0.318807  1.04676  0.389312  
1 1 1 43 16 29 o 1.68252  0.23872   2.95878      0.803302 2.11986      1.10932  3.88372      1.1648   1.3546   0.388929  1.90124  0.306325  
1 1 1 43 16 30 o 1.18298  0.337732  1.59168      0.838806 1.38258      1.2027   1.78972      1.17046  1.13577  0.411004  1.24403  0.407868  
1 1 1 43 16 31 o 1.20933  0.340852  1.71229      0.859711 0.807616     1.21259  2.62665      1.21906  0.981668 0.397244  1.4616   0.403867  
1 1 1 43 16 32 o 2.29763  0.201205  5.55385      0.924589 4.5025       1.23308  6.90411      1.39742  2.003    0.307809  2.50483  0.278944  
1 1 1 43 16 33 o 1.02546  0.34927   1.25113      0.858299 1.44344      1.14982  1.00913      1.28984  1.08905  0.401102  1.0019   0.408109  
1 1 1 43 16 34 o 1.04928  0.358874  1.38905      0.906153 0.696822     1.24201  2.17687      1.325    0.912047 0.388138  1.24032  0.433097  
1 1 1 43 16 35 o 0.972079 0.353278  1.22368      0.889412 0.748384     1.24677  1.71619      1.26916  0.89077  0.384227  1.08658  0.416268  
1 1 1 43 16 36 o 1.17818  0.36646   2.009        0.954349 2.67196      1.42638  1.47168      1.28411  1.24162  0.447765  0.995717 0.406663  
1 1 1 43 16 37 f 0.979853 0.369911  1.59163      0.990154 -0.653406    1.43315  3.64194      1.36959  0.682096 0.331517  1.39653  0.439935  
1 1 1 43 16 38 o 0.636229 0.30519   -0.351652    1.11545  0.345266     1.56497  -1.07131     1.5903   0.764552 0.365474  0.661676 0.326946  
1 1 1 43 17 0  o 0.367048 0.259642  -0.745767    0.719019 -0.745767    0.719019 -0.745767    0.719019 0.281023 0.202735  ?        ?         
1 1 1 43 17 1  o 2.84889  0.0981302 8.12443      0.559124 7.56067      0.767788 8.76096      0.81584  2.74685  0.139758  2.95694  0.137954  
1 1 1 43 17 2  o 4.31829  0.074955  18.6588      0.647356 18.0375      0.900047 19.3247      0.931776 4.24453  0.106024  4.39337  0.106043  
1 1 1 43 17 3  o 6.09512  0.0733601 37.172       0.894277 38.5639      1.32694  36.0138      1.21047  6.20617  0.106905  5.99786  0.100908  
1 1 1 43 17 4  o 0.71058  0.245106  0.459514     0.423279 0.702732     0.563868 0.145525     0.640674 0.855699 0.283094  0.694048 0.28598   
1 1 1 43 17 5  o 0.627313 0.234138  0.297977     0.39425  -0.028568    0.522589 0.729331     0.600628 0.584193 0.250287  0.875136 0.292176  
1 1 1 43 17 6  o 4.88431  0.0825269 23.8754      0.806173 24.5057      1.15277  23.272       1.12784  4.9464   0.116526  4.82025  0.11699   
1 1 1 43 17 7  o 6.27753  0.0771276 39.4361      0.968342 39.4522      1.40202  39.4215      1.33903  6.27629  0.111692  6.27426  0.106708  
1 1 1 43 17 8  o 4.53225  0.080692  20.5587      0.731433 19.5338      1.03966  21.5632      1.02922  4.41571  0.117723  4.63989  0.11091   
1 1 1 43 17 9  o 0.433463 0.210744  -1.01835     0.579992 -1.36166     0.822291 -0.678461    0.818189 0.523725 0.253561  0.611406 0.282844  
1 1 1 43 17 10 o 2.0394   0.146693  4.1722       0.598331 3.44546      0.844519 4.90464      0.847826 1.84914  0.228355  2.20868  0.19193   
1 1 1 43 17 11 o 7.68992  0.0793807 59.1926      1.22086  58.8631      1.72804  59.5209      1.72508  7.66461  0.112729  7.70743  0.11191   
1 1 1 43 17 12 o 4.22735  0.0840255 17.8917      0.71041  17.7593      1.02029  18.0163      0.989748 4.20894  0.121205  4.23967  0.116725  
1 1 1 43 17 13 o 3.31449  0.086133  11.0007      0.570973 11.2863      0.936849 10.8319      0.720184 3.35352  0.139681  3.28758  0.109531  
1 1 1 43 17 14 o 2.93796  0.0947697 8.64696      0.556859 9.18289      0.794622 8.12977      0.7806   3.02518  0.131335  2.84599  0.13714   
1 1 1 43 17 15 o 1.7298   0.158159  3.00788      0.547168 3.17174      0.804978 2.86715      0.746007 1.77145  0.227208  1.6847   0.221407  
1 1 1 43 17 16 o 5.16848  0.0809227 26.7532      0.836494 28.3964      1.2955   25.5782      1.09547  5.31985  0.121761  5.05072  0.108447  
1 1 1 43 17 17 o 3.93674  0.0909081 15.5308      0.715764 15.4999      1.00636  15.5625      1.01823  3.92877  0.128076  3.93653  0.129331  
1 1 1 43 17 18 o 3.55154  0.0973581 12.6475      0.691542 12.2704      0.96198  13.0508      0.994823 3.49356  0.137679  3.6029   0.138059  
1 1 1 43 17 19 o 2.89055  0.114367  8.38908      0.661165 8.03629      0.875747 8.8567       1.00825  2.82432  0.155037  2.96274  0.170155  
1 1 1 43 17 20 o 2.82013  0.124311  7.99541      0.701144 7.17115      0.939629 9.03097      1.0532   2.66355  0.176387  2.98909  0.176173  
1 1 1 43 17 21 o 0.484133 0.232697  -0.943595    0.656623 -0.210703    0.912174 -1.73178     0.945957 0.728324 0.321219  0.540478 0.264075  
1 1 1 43 17 22 o 1.92409  0.176618  3.74757      0.679657 3.21108      0.92574  4.37487      1.00103  1.76827  0.261764  2.06792  0.242037  
1 1 1 43 17 23 o 5.57028  0.10256   31.1674      1.14257  31.8976      1.59816  30.404       1.63413  5.62341  0.142098  5.48787  0.148886  
1 1 1 43 17 24 o 1.22305  0.286224  1.61629      0.688444 1.1948       0.922288 2.14666      1.03457  1.07918  0.362055  1.39312  0.366399  
1 1 1 43 17 25 f 3.006    0.131631  9.12547      0.791367 8.62916      1.08284  9.69444      1.15941  2.90879  0.186132  3.08248  0.188064  
1 1 1 43 17 26 o 3.56998  0.116895  12.8519      0.834625 12.578       1.12621  13.1855      1.2431   3.5187   0.160033  3.59804  0.172747  
1 1 1 43 17 27 o 3.63677  0.119687  13.3584      0.870549 13.568       1.22094  13.1418      1.24161  3.64799  0.167344  3.58786  0.173029  
1 1 1 43 17 28 o 2.68367  0.152241  7.32882      0.817131 7.05809      1.1448   7.61         1.1667   2.6094   0.219361  2.71132  0.215154  
1 1 1 43 17 29 o 1.09218  0.331158  1.33252      0.786031 1.61818      1.09484  1.02865      1.12919  1.19546  0.394472  1.03902  0.394211  
1 1 1 43 17 30 o 2.31058  0.186838  5.52603      0.863408 5.46558      1.2285   5.58503      1.21373  2.25587  0.272289  2.28416  0.265683  
1 1 1 43 17 31 o 0.708934 0.309831  0.017546     0.831591 0.501243     1.13608  -0.540755    1.22055  0.898201 0.37619   0.753943 0.347513  
1 1 1 43 17 32 o 3.28109  0.145688  11.0772      0.956032 11.2454      1.36223  10.9139      1.34206  3.25736  0.209101  3.20898  0.20911   
1 1 1 43 17 33 o 2.96008  0.168503  9.18102      0.997566 9.94969      1.3458   8.24365      1.48616  3.03013  0.22207   2.70316  0.274893  
1 1 1 43 17 34 o 0.970626 0.346842  1.1472       0.854121 1.11334      1.20227  1.1817       1.21363  0.984077 0.396649  0.999862 0.400377  
1 1 1 43 17 35 o 0.829761 0.343382  0.712813     0.929099 1.51847      1.33539  -0.043097    1.2935   1.02452  0.415946  0.7706   0.356163  
1 1 1 43 17 36 o 0.663859 0.305745  -0.112861    0.942312 -0.472142    1.38076  0.200356     1.28921  0.722918 0.345026  0.781539 0.358969  
1 1 1 43 17 37 o 1.11769  0.373094  2.11511      0.979384 2.2819       1.44322  1.97274      1.3334   1.03092  0.427382  0.992407 0.411069  
1 1 1 43 17 38 o 0.709242 0.329072  0.423408     1.11803  0.557031     1.58957  0.292585     1.57283  0.756781 0.363333  0.732948 0.35413   
1 1 1 43 18 0  o 4.48705  0.101937  20.1765      0.913729 20.1765      0.913729 20.1765      0.913729 4.48944  0.0719999 ?        ?         
1 1 1 43 18 1  o 10.296   0.0853967 106.095      1.75849  103.998      2.40008  108.525      2.58384  10.19    0.117767  10.4085  0.124121  
1 1 1 43 18 2  o 4.85659  0.0756039 23.6017      0.734354 23.1132      1.03105  24.1047      1.04618  4.80447  0.107301  4.90649  0.106612  
1 1 1 43 18 3  o 2.11621  0.107541  4.4843       0.45516  4.05475      0.601604 5.05933      0.696065 2.01104  0.149575  2.24618  0.154944  
1 1 1 43 18 4  o 1.06346  0.195718  1.17213      0.400686 1.31228      0.540563 1.00122      0.596933 1.11954  0.247997  0.985899 0.286032  
1 1 1 43 18 5  f 3.38825  0.0964269 11.4933      0.653436 11.3215      0.938872 11.6547      0.909999 3.36071  0.139683  3.41016  0.133425  
1 1 1 43 18 6  o 7.08855  0.0773435 50.2861      1.09651  51.2582      1.57012  49.3606      1.53197  7.15394  0.109738  7.02034  0.10911   
1 1 1 43 18 7  o 4.98102  0.0782542 24.8312      0.779572 24.1592      1.07329  25.5816      1.13419  4.91123  0.109269  5.05351  0.112219  
1 1 1 43 18 8  o 5.71859  0.0746664 32.728       0.853972 33.5856      1.23006  31.9299      1.18651  5.79068  0.10621   5.64624  0.105071  
1 1 1 43 18 9  o 2.87938  0.107774  8.30505      0.620645 7.95046      0.888033 8.64363      0.867766 2.81445  0.157763  2.93523  0.147819  
1 1 1 43 18 10 o 3.31423  0.0971073 11.0003      0.643671 10.1093      0.928661 11.8242      0.892964 3.17414  0.146285  3.43404  0.130017  
1 1 1 43 18 11 o 3.83036  0.0914297 14.6923      0.700417 13.2675      0.965664 16.274       1.01744  3.63701  0.132755  4.02865  0.126276  
1 1 1 43 18 12 o 2.86909  0.110825  8.2501       0.635936 9.1784       0.92188  7.40731      0.878394 3.02317  0.152469  2.71515  0.161758  
1 1 1 43 18 13 o 3.28761  0.103421  10.8311      0.680019 11.0468      0.990723 10.639       0.935072 3.31641  0.149367  3.25516  0.143629  
1 1 1 43 18 14 o 4.47133  0.0766624 20.0172      0.685566 19.4195      1.01202  20.5241      0.931987 4.40076  0.114983  4.52541  0.102973  
1 1 1 43 18 15 o 1.24672  0.226142  1.61994      0.543106 1.22         0.843501 1.90316      0.709818 1.09458  0.345333  1.34492  0.273394  
1 1 1 43 18 16 o 3.70595  0.0869625 13.7598      0.644557 13.5276      0.889813 14.0162      0.934943 3.67132  0.121184  3.73659  0.125107  
1 1 1 43 18 17 o 4.0572   0.0875978 16.496       0.710804 16.2648      0.982433 16.75        1.02969  4.02471  0.12205   4.08374  0.126072  
1 1 1 43 18 18 o 3.00202  0.113839  9.04719      0.683492 9.22656      0.938168 8.84431      0.997791 3.02666  0.154984  2.96139  0.168467  
1 1 1 43 18 19 o 2.78608  0.126914  7.80329      0.707185 8.29355      0.978199 7.2665       1.02356  2.866    0.170656  2.67944  0.191004  
1 1 1 43 18 20 o 0.824081 0.297463  0.594624     0.629637 0.371108     0.905751 0.803643     0.875883 0.850471 0.343666  0.958975 0.350378  
1 1 1 43 18 21 o 3.73408  0.104504  14           0.780449 14.4252      1.13503  13.6188      1.07487  3.78213  0.150052  3.67567  0.146214  
1 1 1 43 18 22 f 3.66718  0.106384  13.5092      0.780262 13.6526      1.07374  13.3488      1.13578  3.67915  0.145923  3.63572  0.156198  
1 1 1 43 18 23 o 1.69788  0.219314  2.95156      0.744737 3.03351      0.974245 2.83635      1.15515  1.68209  0.30042   1.60279  0.36793   
1 1 1 43 18 24 o 2.7052   0.138533  7.39286      0.74952  5.96422      0.999199 9.23104      1.1334   2.41473  0.206896  3.00991  0.188279  
1 1 1 43 18 25 o 5.31525  0.0979176 28.4113      1.04091  28.9502      1.43967  27.8211      1.50677  5.3521   0.134496  5.24278  0.1437    
1 1 1 43 18 26 o 1.62079  0.232985  2.71915      0.755239 3.33232      1.02966  2.0051       1.11113  1.77759  0.289622  1.33303  0.391373  
1 1 1 43 18 27 o 0.666318 0.292604  -0.0997707   0.749037 -0.477972    1.03607  0.314356     1.08416  0.71855  0.327054  0.875256 0.367078  
1 1 1 43 18 28 o 1.83254  0.22032   3.48376      0.807493 3.3481       1.12785  3.62644      1.15663  1.73196  0.337648  1.80647  0.332597  
1 1 1 43 18 29 o 1.19192  0.323133  1.60513      0.789576 2.11132      1.09902  1.06514      1.13511  1.344    0.387523  1.04797  0.395935  
1 1 1 43 18 30 o 1.4387   0.301242  2.34158      0.838862 3.84507      1.16268  0.709195     1.21149  1.8358   0.328542  0.965012 0.394704  
1 1 1 43 18 31 o 2.55289  0.175773  6.7687       0.897459 7.20679      1.2544   6.30931      1.28453  2.59131  0.24204   2.40697  0.266836  
1 1 1 43 18 32 o 1.85164  0.242175  3.72679      0.89684  3.739        1.22467  3.71268      1.317    1.75225  0.361794  1.71865  0.391729  
1 1 1 43 18 33 o 1.20805  0.359388  1.8712       0.931688 0.985966     1.23215  3.05313      1.42373  0.969456 0.397544  1.45852  0.44638   
1 1 1 43 18 34 o 2.4543   0.18888   6.47749      0.927136 6.80261      1.25789  6.09081      1.37184  2.44252  0.257499  2.25735  0.30386   
1 1 1 43 18 35 o 0.627905 0.294866  -0.430051    0.952022 -0.687095    1.41877  -0.219514    1.28402  0.719309 0.344837  0.73841  0.345978  
1 1 1 43 18 36 o 0.590974 0.28392   -0.661274    0.974729 -1.34269     1.41916  -0.0527673   1.34109  0.642597 0.316533  0.739533 0.348034  
1 1 1 43 18 37 o 0.683948 0.314173  0.218088     0.987767 2.04961      1.47973  -1.254       1.32661  0.975838 0.419722  0.605767 0.299149  
1 1 1 43 18 38 o 0.674536 0.318107  0.362286     1.13171  0.0944779    1.56288  0.657518     1.64095  0.682146 0.334895  0.726099 0.353465  
1 1 1 43 19 0  o 0.754551 0.392567  0.843522     0.761764 0.843522     0.761764 0.843522     0.761764 0.76304  0.337606  ?        ?         
1 1 1 43 19 1  o 2.49967  0.109541  6.25755      0.547634 6.90437      0.757892 5.55087      0.792188 2.62424  0.144402  2.35192  0.168413  
1 1 1 43 19 2  o 2.85112  0.0961937 8.13823      0.548519 8.47614      0.768648 7.78759      0.782997 2.90821  0.132151  2.7872   0.140463  
1 1 1 43 19 3  o 4.82428  0.0680958 23.2874      0.657026 22.5953      0.884322 24.14        0.981626 4.75083  0.0930702 4.91013  0.0999593 
1 1 1 43 19 4  o 8.68246  0.0777485 75.4448      1.3501   76.3597      1.93417  74.5753      1.88542  8.73139  0.11076   8.62896  0.109249  
1 1 1 43 19 5  o 6.82478  0.0808684 46.619       1.10382  46.3154      1.53561  46.9437      1.58776  6.79965  0.112919  6.84529  0.115975  
1 1 1 43 19 6  o 4.48828  0.0793606 20.1624      0.712386 20.1524      1.00262  20.1726      1.01238  4.48522  0.11177   4.48739  0.112802  
1 1 1 43 19 7  o 3.7853   0.0864378 14.344       0.654385 14.5076      0.930477 14.1838      0.920484 3.80475  0.122278  3.76203  0.122339  
1 1 1 43 19 8  o 3.88498  0.0883579 15.1108      0.686538 15.587       0.9703   14.6335      0.971524 3.94349  0.123026  3.82067  0.12714   
1 1 1 43 19 9  o 4.87793  0.0802366 23.8186      0.782776 22.5577      1.09158  25.1534      1.12311  4.74444  0.115038  5.01025  0.112082  
1 1 1 43 19 10 o 2.12457  0.141278  4.52923      0.600313 4.43749      0.872458 4.61172      0.827283 2.09873  0.207853  2.14061  0.193235  
1 1 1 43 19 11 o 3.43309  0.0981978 11.8069      0.674243 11.4824      0.96474  12.1167      0.94269  3.38226  0.142618  3.47504  0.135637  
1 1 1 43 19 12 o 7.34718  0.0804345 54.0498      1.18193  52.857       1.68433  55.207       1.65897  7.2607   0.11599   7.42104  0.111775  
1 1 1 43 19 13 o 2.71233  0.116476  7.37735      0.63184  6.53028      0.912013 8.15916      0.876178 2.54708  0.179031  2.84952  0.153741  
1 1 1 43 19 14 o 5.18364  0.079217  26.9074      0.821265 26.3491      1.11991  27.5569      1.20797  5.12643  0.109229  5.24183  0.115224  
1 1 1 43 19 15 o 3.72172  0.0818318 13.8737      0.60911  14.2437      0.883091 13.5379      0.841255 3.76782  0.117189  3.67356  0.114501  
1 1 1 43 19 16 o 4.45399  0.0876018 19.8794      0.780354 18.4473      1.11223  21.2678      1.09514  4.28531  0.129773  4.60293  0.118961  
1 1 1 43 19 17 o 5.92652  0.0865547 35.2009      1.02594  35.0911      1.40725  35.3254      1.49886  5.91157  0.119025  5.92972  0.126386  
1 1 1 43 19 18 o 1.1071   0.289782  1.30439      0.649098 1.1133       0.939291 1.47905      0.898026 1.06896  0.365377  1.18335  0.352998  
1 1 1 43 19 19 o 4.35301  0.0926105 19.0064      0.806269 17.6717      1.16621  20.2285      1.11592  4.18929  0.139189  4.48522  0.1244    
1 1 1 43 19 20 o 2.94997  0.11966   8.7468       0.705984 8.26939      0.975866 9.27103      1.0226   2.86067  0.170566  3.0293   0.168785  
1 1 1 43 19 21 o 3.1403   0.11466   9.91279      0.720131 9.47409      1.0197   10.3493      1.01714  3.06122  0.166551  3.20106  0.158876  
1 1 1 43 19 22 o 3.05529  0.123596  9.39708      0.755245 8.55654      1.02313  10.4035      1.11952  2.90546  0.17607   3.20405  0.174704  
1 1 1 43 19 23 o 3.76641  0.109289  14.2716      0.823258 12.9601      1.10726  15.8929      1.23109  3.57842  0.154713  3.96248  0.155343  
1 1 1 43 19 24 o 4.342    0.104091  18.9696      0.903922 18.7054      1.23973  19.2694      1.3208   4.29943  0.144174  4.36112  0.151428  
1 1 1 43 19 25 o 0.960517 0.317269  0.952625     0.708229 1.29043      0.949662 0.529316     1.06308  1.10489  0.367389  0.922914 0.372575  
1 1 1 43 19 26 o 2.5344   0.158318  6.53413      0.802482 6.98702      1.07572  5.96581      1.20502  2.60533  0.206446  2.39076  0.252016  
1 1 1 43 19 27 o 3.47364  0.126102  12.2113      0.876065 12.9474      1.2043   11.3839      1.27676  3.5599   0.169147  3.32797  0.191823  
1 1 1 43 19 28 o 1.25363  0.318793  1.76804      0.801357 2.87548      1.10301  0.530066     1.1662   1.58702  0.35628   0.936405 0.385839  
1 1 1 43 19 29 o 1.9588   0.205643  3.99226      0.805626 4.63204      1.13534  3.34342      1.14336  2.07948  0.272986  1.71018  0.34637   
1 1 1 43 19 30 o 1.25823  0.330674  1.84972      0.843061 1.90023      1.13433  1.7874       1.2601   1.25049  0.401073  1.21751  0.422622  
1 1 1 43 19 31 o 0.578606 0.271416  -0.641537    0.798578 -0.854234    1.1156   -0.41801     1.14364  0.674897 0.317561  0.74069  0.339321  
1 1 1 43 19 32 o 1.48127  0.309876  2.59209      0.888323 1.57286      1.19987  3.82837      1.32147  1.12004  0.410007  1.73435  0.390396  
1 1 1 43 19 33 o 1.00704  0.352899  1.25638      0.880389 2.59022      1.18584  -0.381656    1.31413  1.37844  0.404194  0.766877 0.356179  
1 1 1 43 19 34 o 1.33336  0.346336  2.35397      0.931706 2.25166      1.24252  2.48541      1.40825  1.22088  0.42006   1.24978  0.445485  
1 1 1 43 19 35 o 0.992746 0.362552  1.39752      0.937716 1.29441      1.40015  1.48139      1.26273  0.963121 0.411057  0.997566 0.404676  
1 1 1 43 19 36 o 1.17555  0.371742  2.24026      0.977026 2.90136      1.46836  1.71502      1.30881  1.17443  0.448377  0.968022 0.404499  
1 1 1 43 19 37 o 0.988673 0.372603  1.71654      1.00321  2.25359      1.43872  1.20831      1.39959  1.01615  0.424321  0.855154 0.385921  
1 1 1 43 20 0  o 4.69123  0.111957  22.064       1.04908  22.064       1.04908  22.064       1.04908  4.69424  0.0790639 ?        ?         
1 1 1 43 20 1  o 2.84791  0.0971549 8.12101      0.553376 9.20063      0.777226 7.01107      0.788069 3.02985  0.128261  2.64384  0.149039  
1 1 1 43 20 2  o 5.86141  0.0722668 34.3808      0.847171 33.6765      1.21925  35.0382      1.17798  5.79873  0.10513   5.91527  0.0995711 
1 1 1 43 20 3  o 5.71201  0.0693461 32.6489      0.79221  32.5764      1.12593  32.7199      1.11487  5.70369  0.0987014 5.71634  0.0975157 
1 1 1 43 20 4  o 3.9427   0.0804515 15.5591      0.634392 15.1099      0.91649  15.9724      0.879014 3.8833   0.118004  3.9931   0.110067  
1 1 1 43 20 5  o 4.63448  0.0852976 21.5011      0.79062  21.329       1.09315  21.6898      1.14485  4.61361  0.11847   4.65209  0.123047  
1 1 1 43 20 6  o 7.52968  0.0773271 56.7467      1.1645   55.0533      1.63731  58.4801      1.65655  7.41297  0.110436  7.64045  0.108406  
1 1 1 43 20 7  o 8.96045  0.0861335 80.3826      1.54359  79.8411      2.17109  80.9362      2.19504  8.92499  0.12163   8.9859   0.122138  
1 1 1 43 20 8  o 7.76019  0.0803881 60.2846      1.24765  60.8729      1.81044  59.7525      1.72179  7.79339  0.116152  7.72201  0.111486  
1 1 1 43 20 9  o 7.53534  0.082213  56.8486      1.23901  60.0382      1.76767  53.7681      1.73717  7.73954  0.114197  7.3236   0.118601  
1 1 1 43 20 10 o 3.96569  0.0887353 15.7497      0.703794 14.7059      1.01562  16.714       0.976181 3.82857  0.132637  4.08286  0.119546  
1 1 1 43 20 11 o 6.84593  0.0836342 46.9315      1.14511  46.6807      1.56147  47.2234      1.68435  6.82352  0.114418  6.86175  0.122735  
1 1 1 43 20 12 o 5.34473  0.0807573 28.6046      0.863251 27.4382      1.23454  29.7205      1.20755  5.23067  0.11801   5.44478  0.110891  
1 1 1 43 20 13 o 3.2711   0.0989992 10.7231      0.647672 10.4906      0.918718 10.9528      0.913201 3.23181  0.142137  3.30262  0.138254  
1 1 1 43 20 14 o 2.16289  0.142186  4.70072      0.615065 4.65758      0.879717 4.74198      0.860275 2.14739  0.204833  2.16742  0.198456  
1 1 1 43 20 15 o 1.65803  0.143178  2.76407      0.474788 2.50119      0.782197 2.91744      0.597438 1.56868  0.249317  1.70113  0.1756    
1 1 1 43 20 16 o 2.18126  0.13012   4.78115      0.567654 5.45456      0.8153   4.14756      0.790827 2.32529  0.175312  2.02553  0.195215  
1 1 1 43 20 17 o 2.94362  0.111255  8.69819      0.654983 8.7283       0.918077 8.66697      0.934718 2.94322  0.155965  2.93237  0.159379  
1 1 1 43 20 18 o 2.36994  0.141013  5.6548       0.668386 4.7857       1.01776  6.31388      0.886295 2.16709  0.234822  2.49922  0.177315  
1 1 1 43 20 19 o 2.12561  0.159776  4.55963      0.679244 3.72424      1.02452  5.21483      0.907317 1.90506  0.268894  2.26723  0.200094  
1 1 1 43 20 20 o 2.83759  0.133111  8.10642      0.75543  8.5567       1.08513  7.68297      1.05231  2.90583  0.186715  2.75261  0.191147  
1 1 1 43 20 21 o 3.60925  0.10609   13.0857      0.765808 12.5731      1.11252  13.5474      1.05574  3.52805  0.157668  3.66523  0.144021  
1 1 1 43 20 22 o 1.5645   0.230577  2.51246      0.721478 2.45998      0.997207 2.57011      1.04513  1.49885  0.340344  1.52997  0.349124  
1 1 1 43 20 23 o 0.533312 0.25063   -0.703201    0.69072  -0.764597    0.922729 -0.624951    1.04171  0.636468 0.296707  0.707255 0.323939  
1 1 1 43 20 24 o 1.04406  0.315374  1.17119      0.713788 0.698713     0.981388 1.70186      1.04006  0.942926 0.364902  1.24273  0.381765  
1 1 1 43 20 25 o 2.8043   0.135093  7.95663      0.757681 7.9337       1.04025  7.98254      1.1058   2.78533  0.186738  2.78999  0.198172  
1 1 1 43 20 26 o 3.3004   0.126942  11.0232      0.837916 13.0008      1.13756  8.67764      1.23891  3.57225  0.159221  2.8971   0.213818  
1 1 1 43 20 27 o 4.90886  0.1025    24.2913      1.00632  24.2536      1.38057  24.334       1.46993  4.88746  0.141236  4.89067  0.150279  
1 1 1 43 20 28 o 0.888502 0.329295  0.736927     0.777097 0.981365     1.05476  0.446719     1.14928  1.01324  0.382002  0.912214 0.379973  
1 1 1 43 20 29 o 0.77356  0.324539  0.26346      0.84793  0.445692     1.13842  0.0363883    1.27078  0.897326 0.376234  0.860884 0.379482  
1 1 1 43 20 30 o 1.72345  0.238328  3.17826      0.821493 3.83664      1.11393  2.39326      1.21634  1.85877  0.299643  1.38396  0.410414  
1 1 1 43 20 31 o 2.00912  0.210471  4.28974      0.845724 4.93798      1.16001  3.55421      1.23564  2.11229  0.274586  1.70242  0.37311   
1 1 1 43 20 32 o 0.664557 0.298524  -0.113512    0.827913 -0.739992    1.13053  0.611043     1.21581  0.677349 0.318996  0.899792 0.383505  
1 1 1 43 20 33 o 0.867177 0.335591  0.80764      0.830061 0.101759     1.12519  1.65047      1.2295   0.781367 0.349578  1.10632  0.413366  
1 1 1 43 20 34 o 0.802775 0.335714  0.619867     0.902637 0.0155652    1.25637  1.26456      1.29768  0.768687 0.353612  0.972265 0.404296  
1 1 1 43 20 35 o 0.794865 0.34108   0.609265     0.973172 1.05297      1.38541  0.177077     1.36732  0.912846 0.399419  0.790181 0.365584  
1 1 1 43 20 36 o 0.702722 0.318299  0.349609     0.960784 -0.119795    1.37687  0.795102     1.34134  0.708568 0.339693  0.805556 0.368387  
1 1 1 43 20 37 o 0.656164 0.309377  0.0399196    1.06935  -0.465805    1.40567  0.734656     1.64755  0.657761 0.321502  0.776872 0.372232  
1 1 1 43 21 0  o 15.278   0.167084  233.974      5.10404  233.974      5.10404  233.974      5.10404  15.287   0.11806   ?        ?         
1 1 1 43 21 1  o 4.3702   0.0765702 19.115       0.669254 18.7729      0.920059 19.4993      0.97529  4.32918  0.106263  4.41184  0.110531  
1 1 1 43 21 2  o 3.50968  0.0877853 12.3318      0.616196 13.194       0.918032 11.6248      0.831277 3.62806  0.126518  3.40575  0.12204   
1 1 1 43 21 3  o 7.53073  0.0735436 56.7575      1.10767  55.5386      1.5917   57.9022      1.54244  7.44602  0.106882  7.60347  0.10143   
1 1 1 43 21 4  o 1.96965  0.142177  3.89142      0.560077 4.15045      0.816031 3.66073      0.7701   2.03097  0.200897  1.90733  0.201879  
1 1 1 43 21 5  o 6.07043  0.0776697 36.885       0.942977 37.0974      1.32648  36.6681      1.34078  6.08504  0.108995  6.04953  0.110817  
1 1 1 43 21 6  o 1.09044  0.265451  1.25065      0.574285 1.08411      0.814252 1.4155       0.810086 1.04705  0.340189  1.16431  0.33174   
1 1 1 43 21 7  o 2.54566  0.119381  6.49619      0.607805 6.25329      0.883574 6.71439      0.837415 2.49392  0.177146  2.58537  0.161952  
1 1 1 43 21 8  o 6.61296  0.0775695 43.7786      1.02593  43.3824      1.43454  44.1933      1.46779  6.57947  0.109017  6.64048  0.110518  
1 1 1 43 21 9  o 1.52321  0.185684  2.33533      0.565671 2.19703      0.816594 2.46292      0.78434  1.44546  0.292688  1.56005  0.251383  
1 1 1 43 21 10 o 4.04449  0.0857083 16.3819      0.693293 16.0929      0.989684 16.6603      0.971497 4.00552  0.12354   4.07595  0.119174  
1 1 1 43 21 11 o 2.46004  0.123533  6.07098      0.60779  5.78192      0.873265 6.34257      0.846452 2.39637  0.182206  2.51109  0.168542  
1 1 1 43 21 12 o 3.33692  0.0987095 11.1589      0.658772 10.8694      0.934317 11.4452      0.928995 3.28963  0.14201   3.37608  0.137585  
1 1 1 43 21 13 o 6.35623  0.0817275 40.4659      1.03896  41.0557      1.45897  39.8591      1.47987  6.39757  0.114025  6.30307  0.117393  
1 1 1 43 21 14 o 3.4559   0.100364  11.9749      0.693699 11.9387      0.916555 12.0235      1.06138  3.44729  0.132939  3.45686  0.153518  
1 1 1 43 21 15 o 4.75906  0.0880539 22.6988      0.838108 21.7046      1.12163  23.9557      1.26112  4.64925  0.120625  4.88294  0.129135  
1 1 1 43 21 16 o 1.82155  0.152422  3.34159      0.555287 3.19001      0.821467 3.46913      0.753514 1.77156  0.231849  1.85087  0.203557  
1 1 1 43 21 17 o 3.04574  0.100947  9.30793      0.614916 8.7488       0.897759 9.80207      0.843975 2.94636  0.15235   3.12125  0.135198  
1 1 1 43 21 18 o 4.18728  0.0955768 17.5911      0.800414 16.3984      1.14827  18.7183      1.11632  4.0347   0.142299  4.31339  0.129402  
1 1 1 43 21 19 o 1.72326  0.192674  3.01015      0.664053 2.57929      1.01587  3.33162      0.87748  1.54548  0.337959  1.80562  0.242985  
1 1 1 43 21 20 o 3.84769  0.104405  14.869       0.803438 15.7069      1.13939  14.0404      1.13311  3.94675  0.144345  3.72985  0.151897  
1 1 1 43 21 21 o 2.61225  0.140943  6.88601      0.736355 7.18589      1.04664  6.59211      1.03616  2.65712  0.196951  2.54342  0.203695  
1 1 1 43 21 22 o 1.46246  0.234573  2.19866      0.686107 2.01468      0.968903 2.3837       0.971708 1.35195  0.354122  1.47509  0.336664  
1 1 1 43 21 23 o 4.87297  0.10719   23.9024      1.04467  23.9914      1.41337  23.7952      1.55096  4.86865  0.14515   4.8424   0.160144  
1 1 1 43 21 24 o 2.31139  0.164128  5.431        0.758728 5.94521      1.06624  4.90354      1.0799   2.40187  0.221961  2.17319  0.248459  
1 1 1 43 21 25 f 2.57721  0.151819  6.74756      0.78254  6.90693      1.07301  6.56649      1.14373  2.59009  0.207138  2.51816  0.227096  
1 1 1 43 21 26 o 0.830969 0.323312  0.531162     0.772582 0.969752     1.07096  0.0552424    1.1156   1.02227  0.385035  0.834777 0.361804  
1 1 1 43 21 27 o 3.33587  0.130814  11.2858      0.872759 11.6891      1.20136  10.8352      1.27003  3.37499  0.17798   3.24061  0.195956  
1 1 1 43 21 28 o 1.53309  0.277561  2.58115      0.819792 1.44135      1.09407  4.0404       1.23793  1.1388   0.393942  1.88991  0.339882  
1 1 1 43 21 29 o 0.720234 0.312203  0.0636766    0.830897 -0.265096    1.11668  0.471483     1.24368  0.761354 0.344093  0.921467 0.390115  
1 1 1 43 21 30 o 2.53561  0.163695  6.65034      0.830133 5.17492      1.12256  8.43092      1.2332   2.18386  0.257013  2.81804  0.218804  
1 1 1 43 21 31 o 0.617099 0.285691  -0.456152    0.836754 -0.40392     1.13387  -0.518613    1.23993  0.72956  0.335746  0.746803 0.346518  
1 1 1 43 21 32 o 0.640939 0.291568  -0.216528    0.820951 -0.358654    1.12776  -0.0563163   1.19737  0.720621 0.332872  0.78131  0.35454   
1 1 1 43 21 33 o 0.639025 0.295073  -0.306334    0.885134 1.36789      1.33371  -1.6242      1.18328  1.02182  0.415404  0.594721 0.29179   
1 1 1 43 21 34 o 0.599513 0.285619  -0.616662    0.936734 -1.34372     1.27445  0.237658     1.3815   0.627324 0.306509  0.810576 0.372008  
1 1 1 43 21 35 o 0.753436 0.33276   0.506079     0.983559 1.25057      1.36677  -0.293569    1.41649  0.906675 0.396721  0.722868 0.346064  
1 1 1 43 21 36 f 0.625786 0.297636  -0.267036    1.01344  -0.960174    1.40949  0.474835     1.4582   0.642275 0.316193  0.771999 0.363196  
1 1 1 43 21 37 o 0.912381 0.381399  1.92018      1.1643   2.30292      1.64811  1.53886      1.64504  0.875459 0.403635  0.798159 0.379423  
1 1 1 43 22 0  o 9.37107  0.128611  87.9809      2.40942  87.9809      2.40942  87.9809      2.40942  9.37541  0.09088   ?        ?         
1 1 1 43 22 1  o 6.4935   0.0712944 42.1995      0.9259   40.6284      1.25904  44.0499      1.36638  6.36907  0.0988403 6.63138  0.103023  
1 1 1 43 22 2  o 0.661808 0.254871  0.291224     0.477555 -0.49666     0.634393 1.32155      0.725463 0.543848 0.250622  1.12386  0.311932  
1 1 1 43 22 3  o 8.00768  0.0731811 64.1789      1.17202  63.0557      1.64614  65.3336      1.66908  7.93375  0.103743  8.07584  0.103338  
1 1 1 43 22 4  o 1.85761  0.152708  3.46416      0.567344 2.81766      0.771654 4.22482      0.837016 1.6711   0.230882  2.04824  0.204325  
1 1 1 43 22 5  o 3.63255  0.0925469 13.215       0.672363 13.8314      0.913797 12.4873      0.992844 3.71418  0.123015  3.52766  0.140723  
1 1 1 43 22 6  o 4.64892  0.0784737 21.6363      0.729635 22.2145      1.04552  21.0873      1.01872  4.70801  0.111036  4.587    0.111044  
1 1 1 43 22 7  o 3.74617  0.0869511 14.0535      0.651466 14.9714      0.95895  13.2669      0.887785 3.86374  0.124096  3.63732  0.122038  
1 1 1 43 22 8  o 6.68808  0.0757923 44.7806      1.01381  45.1161      1.46155  44.4695      1.40747  6.7091   0.108923  6.66131  0.105645  
1 1 1 43 22 9  o 5.41495  0.077228  29.3571      0.836371 28.6767      1.17933  30.0455      1.18632  5.34852  0.110248  5.4749   0.108341  
1 1 1 43 22 10 o 1.74945  0.163731  3.07781      0.57288  1.5751       0.824031 4.48354      0.796996 1.22059  0.329753  2.10961  0.188897  
1 1 1 43 22 11 o 1.58665  0.183969  2.53641      0.583789 2.23342      0.829457 2.83384      0.821802 1.45532  0.295262  1.67226  0.245716  
1 1 1 43 22 12 o 3.69795  0.0961782 13.7051      0.711323 13.3186      0.978971 14.1374      1.03532  3.6416   0.134415  3.75143  0.13799   
1 1 1 43 22 13 o 6.63244  0.0843494 44.0715      1.11889  46.3513      1.62434  42.0131      1.54344  6.79553  0.119516  6.46976  0.119281  
1 1 1 43 22 14 o 1.65422  0.191248  2.76484      0.632731 2.9385       0.850745 2.54986      0.946535 1.69928  0.250325  1.54859  0.316547  
1 1 1 43 22 15 o 5.33106  0.0876238 28.4862      0.934256 28.7332      1.26359  28.1885      1.38757  5.34907  0.118113  5.29557  0.131012  
1 1 1 43 22 16 o 5.55279  0.0860961 30.9078      0.956147 32.8646      1.31401  28.7059      1.39391  5.72033  0.114855  5.3428   0.130448  
1 1 1 43 22 17 o 2.11449  0.136372  4.50116      0.576715 3.51686      0.851274 5.33616      0.784063 1.8577   0.22912   2.2979   0.170604  
1 1 1 43 22 18 o 3.67823  0.106343  13.584       0.78231  12.1114      1.16374  14.7981      1.05669  3.46254  0.168048  3.83371  0.137816  
1 1 1 43 22 19 o 1.09516  0.288283  1.28351      0.640108 1.52458      0.955235 1.08704      0.862371 1.19681  0.365501  1.04248  0.350097  
1 1 1 43 22 20 o 4.08679  0.10114   16.7737      0.826678 17.3672      1.20759  16.2503      1.13407  4.1488   0.145535  4.01421  0.141257  
1 1 1 43 22 21 o 1.73729  0.205774  3.08232      0.714981 3.42353      1.00284  2.72959      1.01964  1.816    0.276112  1.58219  0.332739  
1 1 1 43 22 22 o 1.66224  0.208345  2.82904      0.692637 3.28194      0.962375 2.34233      0.99765  1.77595  0.270946  1.4556   0.347089  
1 1 1 43 22 23 o 1.05162  0.319444  1.18909      0.730958 0.356162     0.997891 2.15344      1.07373  0.865959 0.356879  1.38556  0.377351  
1 1 1 43 22 24 o 3.43656  0.116667  11.9144      0.801863 10.8373      1.10302  13.1216      1.16776  3.26167  0.169088  3.59149  0.162573  
1 1 1 43 22 25 o 1.19517  0.317239  1.58996      0.77111  1.67757      1.10709  1.5074       1.07466  1.22482  0.396569  1.17249  0.39082   
1 1 1 43 22 26 o 0.848792 0.323929  0.599907     0.766138 0.810989     1.07665  0.383383     1.09044  0.982203 0.381769  0.889959 0.370374  
1 1 1 43 22 27 o 1.67784  0.231705  2.94794      0.777529 3.20364      1.06327  2.65404      1.13991  1.69076  0.326072  1.50943  0.378057  
1 1 1 43 22 28 o 1.33924  0.308641  2.03683      0.810274 1.72882      1.11249  2.38484      1.18252  1.21315  0.397639  1.40517  0.400949  
1 1 1 43 22 29 o 0.761902 0.31734   0.305817     0.801534 0.811119     1.09807  -0.270481    1.17268  0.955694 0.381565  0.775305 0.351389  
1 1 1 43 22 30 o 0.723468 0.309729  0.168461     0.799267 0.225514     1.07692  0.0984959    1.19258  0.820118 0.355464  0.829854 0.366475  
1 1 1 43 22 31 o 1.70313  0.256393  3.2196       0.873339 3.56928      1.23647  2.87148      1.23371  1.67686  0.377753  1.47119  0.406184  
1 1 1 43 22 32 o 1.53117  0.287912  2.76849      0.849275 2.70807      1.20506  2.82811      1.19709  1.40422  0.406081  1.44222  0.400829  
1 1 1 43 22 33 o 0.853864 0.343966  0.811974     0.903369 0.43459      1.31439  1.14983      1.24365  0.842866 0.37744   0.956662 0.396673  
1 1 1 43 22 34 o 0.673024 0.306626  -0.0238376   0.915472 0.303385     1.20878  -0.463999    1.40194  0.785917 0.356448  0.731366 0.348726  
1 1 1 43 22 35 o 0.709399 0.323258  0.286633     1.01849  1.8139       1.45496  -1.18084     1.4262   0.965448 0.415737  0.639505 0.314976  
1 1 1 43 22 36 o 0.833286 0.360471  1.08568      1.10341  1.37317      1.51419  0.760151     1.61126  0.8707   0.396058  0.804434 0.379424  
1 1 1 43 23 0  o 14.7792  0.163472  219.013      4.83064  219.013      4.83064  219.013      4.83064  14.7891  0.115499  ?        ?         
1 1 1 43 23 1  o 4.87837  0.0729392 23.8206      0.711649 22.58        0.954829 25.371       1.0674   4.74762  0.100559  5.03199  0.106062  
1 1 1 43 23 2  o 2.86167  0.093673  8.20181      0.536121 7.6298       0.713965 8.94132      0.811803 2.75811  0.12943   2.98531  0.135966  
1 1 1 43 23 3  o 7.83339  0.0745953 61.4232      1.16867  60.2356      1.6079   62.7532      1.70157  7.75366  0.103686  7.91347  0.107511  
1 1 1 43 23 4  f 7.04665  0.0781413 49.7107      1.10127  49.3944      1.51261  50.0674      1.60648  7.02064  0.107726  7.06746  0.113653  
1 1 1 43 23 5  o 4.53316  0.0826956 20.576       0.749745 19.5666      1.01636  21.781       1.11048  4.41791  0.115027  4.66078  0.11913   
1 1 1 43 23 6  o 4.00939  0.0859141 16.0983      0.688926 15.115       0.955491 17.1629      0.99424  3.88209  0.123064  4.13702  0.120164  
1 1 1 43 23 7  o 8.62139  0.082327  74.4294      1.41955  74.7636      1.96707  74.0662      2.05062  8.63541  0.113895  8.59396  0.119306  
1 1 1 43 23 8  f 4.90153  0.0800908 24.0568      0.785135 24.9676      1.10678  23.1341      1.11395  4.99047  0.110889  4.80318  0.11596   
1 1 1 43 23 9  o 1.91532  0.15512   3.68735      0.594212 4.22898      0.837327 3.13784      0.84339  2.04738  0.204487  1.76071  0.239503  
1 1 1 43 23 10 o 5.15635  0.0808136 26.6273      0.833405 27.4785      1.18557  25.7958      1.17178  5.23442  0.113248  5.07131  0.11553   
1 1 1 43 23 11 o 6.97683  0.0842345 48.7601      1.17538  47.7697      1.65517  49.7676      1.6694   6.89952  0.119948  7.04262  0.118521  
1 1 1 43 23 12 o 3.61201  0.10092   13.0818      0.729052 13.3264      1.01944  12.8258      1.04303  3.64116  0.139989  3.57132  0.146029  
1 1 1 43 23 13 o 2.9783   0.107654  8.89946      0.641255 8.69544      0.906574 9.10374      0.907168 2.93898  0.154233  3.00763  0.150811  
1 1 1 43 23 14 o 4.05721  0.0924791 16.5034      0.750414 17.1307      1.08161  15.9212      1.04199  4.12829  0.130999  3.9799   0.130907  
1 1 1 43 23 15 o 4.89657  0.0934128 24.0437      0.914804 25.8724      1.20727  21.5778      1.40189  5.07479  0.118948  4.6279   0.15146   
1 1 1 43 23 16 o 3.62961  0.101056  13.2218      0.733587 12.6127      1.01911  13.8769      1.05682  3.53836  0.144009  3.71177  0.14236   
1 1 1 43 23 17 o 1.77908  0.15819   3.19348      0.562867 1.81983      0.848659 4.2723       0.752088 1.29924  0.326682  2.05455  0.18303   
1 1 1 43 23 18 o 3.47704  0.104162  12.1404      0.72435  11.5119      1.05777  12.6953      0.993975 3.37695  0.156616  3.54962  0.140011  
1 1 1 43 23 19 o 2.62293  0.123532  6.92203      0.648034 6.88398      0.920257 6.95946      0.912706 2.60727  0.176479  2.62197  0.17405   
1 1 1 43 23 20 o 2.13757  0.161397  4.62824      0.689995 4.08037      0.998505 5.12896      0.954576 1.98941  0.250955  2.23984  0.21309   
1 1 1 43 23 21 o 5.16866  0.0968146 26.846       1.0008   26.6399      1.3882   27.0689      1.44416  5.13687  0.135121  5.17645  0.139493  
1 1 1 43 23 22 o 2.19753  0.165862  4.9062       0.728977 4.57025      1.00318  5.28207      1.06111  2.10332  0.238476  2.26239  0.234511  
1 1 1 43 23 23 o 1.97305  0.187574  3.97809      0.740185 3.84138      1.01943  4.13051      1.07645  1.91783  0.265777  1.98706  0.270865  
1 1 1 43 23 24 o 4.13074  0.107446  17.2008      0.887666 16.2146      1.21304  18.3377      1.30242  3.9947   0.151831  4.24751  0.153316  
1 1 1 43 23 25 o 0.701251 0.302314  0.0216027    0.771044 -0.566357    1.07633  0.641388     1.10508  0.720513 0.329705  0.950379 0.381432  
1 1 1 43 23 26 o 1.20917  0.321297  1.64367      0.790433 2.84602      1.12798  0.483613     1.10797  1.57553  0.364859  0.912074 0.375993  
1 1 1 43 23 27 o 1.83654  0.216987  3.52002      0.797011 4.0661       1.10009  2.91672      1.1563   1.9457   0.282698  1.58288  0.371273  
1 1 1 43 23 28 o 1.68339  0.232301  3.0083       0.782106 2.89075      1.093    3.13165      1.11961  1.56526  0.35693   1.63319  0.352786  
1 1 1 43 23 29 o 2.78862  0.151987  8.00397      0.847666 7.69106      1.15624  8.36758      1.2464   2.69559  0.214468  2.80605  0.222091  
1 1 1 43 23 30 o 1.74857  0.243872  3.33158      0.852858 3.77211      1.20091  2.88331      1.21141  1.7664   0.352411  1.5006   0.397312  
1 1 1 43 23 31 o 0.945547 0.343201  1.0476       0.839164 1.48579      1.15402  0.555908     1.22244  1.07775  0.400916  0.885928 0.381279  
1 1 1 43 23 32 o 0.849458 0.337519  0.75009      0.855412 0.303847     1.174    1.25513      1.24895  0.818328 0.362211  1.00546  0.404686  
1 1 1 43 23 33 o 0.830537 0.343336  0.74656      0.927289 0.35467      1.28421  1.17347      1.34036  0.814184 0.368431  0.949373 0.403593  
1 1 1 43 23 34 o 0.608467 0.290416  -0.572103    0.978535 -0.506749    1.32389  -0.650803    1.4528   0.700753 0.335257  0.712423 0.343326  
1 1 1 43 23 35 o 0.815112 0.347804  0.972175     1.00197  0.585038     1.39422  1.38569      1.44094  0.777813 0.363419  0.879275 0.394432  
1 1 1 43 23 36 o 0.748619 0.33997   0.770413     1.10569  0.180676     1.76612  1.15055      1.41795  0.728546 0.357139  0.800573 0.371118  
1 1 1 43 24 0  o 2.62449  0.143671  6.96299      0.748959 6.96299      0.748959 6.96299      0.748959 2.63169  0.100956  ?        ?         
1 1 1 43 24 1  o 2.73689  0.0970041 7.50395      0.530978 7.65263      0.734617 7.34131      0.768351 2.76169  0.133001  2.7043   0.142061  
1 1 1 43 24 2  o 4.1248   0.0738699 17.0318      0.609398 16.7611      0.83412  17.3418      0.892475 4.08996  0.101972  4.15975  0.107275  
1 1 1 43 24 3  o 4.19356  0.0698333 17.6026      0.5857   17.4266      0.83814  17.7707      0.818809 4.17042  0.100486  4.21165  0.0972075 
1 1 1 43 24 4  o 6.79394  0.0772628 46.2123      1.04984  47.1324      1.52899  45.3917      1.44404  6.85687  0.111493  6.72967  0.107289  
1 1 1 43 24 5  o 4.32427  0.0862398 18.7274      0.745849 18.7211      1.03802  18.7342      1.0724   4.32052  0.120127  4.32162  0.124073  
1 1 1 43 24 6  o 4.78652  0.0803032 22.9412      0.768745 23.4106      1.09986  22.4929      1.07491  4.83204  0.113809  4.73642  0.113473  
1 1 1 43 24 7  o 4.50105  0.0834868 20.2893      0.751557 20.16        1.06925  20.4156      1.05659  4.4833   0.119248  4.51188  0.117089  
1 1 1 43 24 8  o 5.87144  0.0787312 34.5211      0.924531 33.0625      1.2871   36.0759      1.32887  5.74208  0.112076  5.99824  0.110772  
1 1 1 43 24 9  o 4.74655  0.0833114 22.5662      0.790884 21.1277      1.11775  24.0085      1.11921  4.58857  0.121797  4.89241  0.114382  
1 1 1 43 24 10 o 6.11814  0.0798732 37.4912      0.977352 36.4503      1.38511  38.5233      1.37928  6.02754  0.114898  6.19719  0.111283  
1 1 1 43 24 11 o 8.09047  0.0892026 65.5961      1.44338  66.4959      2.08992  64.7754      1.99583  8.13659  0.128427  8.03176  0.124246  
1 1 1 43 24 12 o 1.14879  0.253285  1.3954       0.566295 1.10794      0.763743 1.74643      0.843978 1.04079  0.328625  1.27801  0.328452  
1 1 1 43 24 13 o 1.99067  0.146842  3.98855      0.584628 4.10508      0.795668 3.85182      0.861871 2.01431  0.197504  1.94831  0.221184  
1 1 1 43 24 14 o 3.01046  0.11055   9.0984       0.665611 9.0303       0.920511 9.17302      0.963598 2.99356  0.153748  3.01621  0.159736  
1 1 1 43 24 15 o 3.12205  0.109022  9.78785      0.680744 9.49772      0.921272 10.1368      1.01031  3.06964  0.150062  3.16963  0.159374  
1 1 1 43 24 16 o 2.56776  0.134836  6.63639      0.692456 7.23735      0.979435 6.03582      0.979126 2.67406  0.183137  2.43908  0.200716  
1 1 1 43 24 17 o 3.27049  0.112886  10.7476      0.738384 10.809       1.00961  10.677       1.08268  3.27296  0.154235  3.25051  0.16654   
1 1 1 43 24 18 o 4.65854  0.0922631 21.7759      0.859623 21.0104      1.36635  22.2774      1.10592  4.56315  0.149716  4.70683  0.11748   
1 1 1 43 24 19 o 2.62494  0.127743  6.94231      0.670636 5.96031      0.967279 7.8513       0.930627 2.41914  0.199922  2.78411  0.167132  
1 1 1 43 24 20 o 4.65477  0.106601  21.7919      0.992408 21.9191      1.36481  21.6491      1.44563  4.65647  0.146549  4.62427  0.156309  
1 1 1 43 24 21 o 1.21111  0.286864  1.59311      0.685034 1.1131       0.979197 2.05322      0.958698 1.05793  0.372037  1.36054  0.3503    
1 1 1 43 24 22 o 1.78714  0.202312  3.27278      0.723117 4.42737      1.00332  2.02477      1.04312  2.06753  0.242637  1.34442  0.374334  
1 1 1 43 24 23 o 3.66384  0.11075   13.5327      0.811538 13.2814      1.12324  13.8071      1.1738   3.61552  0.155336  3.6849   0.159272  
1 1 1 43 24 24 o 2.50539  0.156801  6.39231      0.785694 5.79959      1.05056  7.14462      1.18357  2.36515  0.222092  2.62366  0.225558  
1 1 1 43 24 25 o 3.50165  0.128093  12.4163      0.897071 11.6385      1.23522  13.2845      1.30495  3.36818  0.183366  3.59952  0.181268  
1 1 1 43 24 26 o 3.9773   0.118694  16.0149      0.944167 15.8487      1.35443  16.172       1.31687  3.93008  0.172316  3.97377  0.165695  
1 1 1 43 24 27 o 1.24025  0.322326  1.76556      0.806724 3.39119      1.12493  0.0443783    1.15752  1.72037  0.33902   0.830403 0.364206  
1 1 1 43 24 28 o 1.78646  0.224652  3.38794      0.802663 4.12351      1.13262  2.64579      1.13767  1.93237  0.293065  1.47351  0.382692  
1 1 1 43 24 29 f 3.43811  0.135098  12.1129      0.928966 11.3946      1.29328  12.8786      1.33524  3.29023  0.196533  3.50316  0.190576  
1 1 1 43 24 30 o 2.31703  0.188948  5.68183      0.875594 5.66553      1.21335  5.69955      1.26481  2.24913  0.269738  2.24501  0.281693  
1 1 1 43 24 31 o 1.98022  0.213871  4.2624       0.847026 3.26224      1.12867  5.55196      1.2816   1.59899  0.361396  2.18521  0.293245  
1 1 1 43 24 32 o 0.725537 0.32011   0.195199     0.90703  0.096951     1.22667  0.313716     1.34727  0.784048 0.356598  0.836643 0.378045  
1 1 1 43 24 33 o 1.57603  0.316735  3.21434      0.963245 2.83875      1.31448  3.64993      1.4156   1.3159   0.432234  1.49808  0.442366  
1 1 1 43 24 34 o 0.846688 0.359674  1.01956      1.06311  0.818094     1.63024  1.16862      1.40231  0.845452 0.394227  0.880436 0.392174  
1 1 1 43 24 35 o 0.702993 0.321598  0.288749     1.02326  0.717203     1.48879  -0.0948689   1.40874  0.803416 0.375444  0.714739 0.34288   
1 1 1 43 25 0  o 2.64818  0.147629  7.09335      0.776341 7.09335      0.776341 7.09335      0.776341 2.65584  0.103708  ?        ?         
1 1 1 43 25 1  o 4.58699  0.0731694 21.0634      0.671254 21.5479      0.952471 20.5853      0.946153 4.63701  0.102703  4.5321   0.104383  
1 1 1 43 25 2  o 6.77972  0.0715082 46.0127      0.969611 46.4636      1.39758  45.5942      1.34633  6.80912  0.102625  6.74551  0.0997948 
1 1 1 43 25 3  o 7.47047  0.0818096 55.8851      1.22231  56.518       1.66827  55.1516      1.79601  7.50833  0.111094  7.41525  0.121103  
1 1 1 43 25 4  o 4.98983  0.0773824 24.9296      0.772249 25.5176      1.09161  24.3405      1.09264  5.04536  0.10818   4.92731  0.110876  
1 1 1 43 25 5  o 4.41126  0.0821776 19.4873      0.725013 19.0803      1.00941  19.921       1.04202  4.36191  0.115707  4.45684  0.116901  
1 1 1 43 25 6  o 2.50236  0.116557  6.28064      0.583338 5.62234      0.849669 6.86759      0.802297 2.36276  0.179805  2.61384  0.153471  
1 1 1 43 25 7  o 3.50462  0.0918193 12.3063      0.643584 11.216       0.917786 13.361       0.902732 3.3418   0.137319  3.64886  0.123701  
1 1 1 43 25 8  o 2.02858  0.138818  4.13436      0.563208 4.29557      0.819145 3.98983      0.775628 2.06276  0.198556  1.98832  0.195046  
1 1 1 43 25 9  o 1.93982  0.145848  3.78354      0.565837 3.61954      0.813937 3.93692      0.787162 1.89131  0.215178  1.97413  0.199369  
1 1 1 43 25 10 o 3.00237  0.10415   9.04122      0.625395 9.01596      0.895333 9.06528      0.873939 2.99352  0.149545  3.00218  0.145551  
1 1 1 43 25 11 f 5.12831  0.0820345 26.3506      0.841396 26.5332      1.13889  26.1313      1.24847  5.142    0.110744  5.10093  0.122377  
1 1 1 43 25 12 o 5.19135  0.0845602 27.0086      0.877963 28.6906      1.20587  25.1112      1.28077  5.34605  0.112781  4.99866  0.128111  
1 1 1 43 25 13 o 7.0654   0.0886177 50.0461      1.25224  55.4809      1.82381  45.1988      1.72241  7.43031  0.122728  6.70498  0.128442  
1 1 1 43 25 14 o 2.30416  0.136619  5.34384      0.629585 5.90843      0.854583 4.67368      0.931061 2.41744  0.176754  2.14411  0.217121  
1 1 1 43 25 15 o 2.3228   0.140002  5.43337      0.650393 4.25335      0.877785 6.86982      0.968477 2.04539  0.214577  2.60479  0.185903  
1 1 1 43 25 16 o 2.80421  0.123031  7.90793      0.690011 8.01267      0.971449 7.80129      0.980255 2.815    0.172549  2.77691  0.176501  
1 1 1 43 25 17 o 3.60335  0.107324  13.0437      0.773451 12.8303      1.05865  13.288       1.13276  3.56626  0.148425  3.62763  0.15613   
1 1 1 43 25 18 o 5.3885   0.0923431 29.1445      0.995181 27.3154      1.43327  30.8472      1.38288  5.20473  0.13769   5.53503  0.12492   
1 1 1 43 25 19 o 2.47839  0.136524  6.20002      0.676719 6.82329      1.01306  5.69781      0.909366 2.58739  0.195769  2.36519  0.192239  
1 1 1 43 25 20 o 8.2359   0.0970036 68.1802      1.59782  69.2976      2.19639  66.9241      2.32873  8.28452  0.13256   8.13494  0.143132  
1 1 1 43 25 21 o 3.22011  0.122263  10.4605      0.787403 11.6182      1.14535  9.42295      1.08427  3.38005  0.169427  3.04131  0.178258  
1 1 1 43 25 22 o 1.22625  0.292404  1.64457      0.708038 1.31848      1.02394  1.94334      0.980128 1.12014  0.381486  1.31708  0.361341  
1 1 1 43 25 23 o 1.50579  0.238107  2.35998      0.717079 2.41233      0.971908 2.29743      1.06232  1.46834  0.337776  1.42104  0.370145  
1 1 1 43 25 24 o 3.84261  0.113999  14.9115      0.876106 15.9611      1.20049  13.7155      1.28147  3.96067  0.151552  3.66103  0.175015  
1 1 1 43 25 25 o 3.46178  0.127851  12.15        0.885183 12.864       1.21333  11.3377      1.29427  3.54298  0.171229  3.31414  0.195265  
1 1 1 43 25 26 o 1.72081  0.237451  3.11801      0.817219 2.80021      1.17479  3.41598      1.13755  1.54306  0.382175  1.73443  0.340056  
1 1 1 43 25 27 o 0.828158 0.324204  0.573074     0.779318 0.804804     1.11812  0.354149     1.08679  0.963033 0.384853  0.859996 0.364414  
1 1 1 43 25 28 o 0.956084 0.335823  1.00005      0.797639 0.179783     1.10112  1.9057       1.15701  0.82446  0.358421  1.24224  0.405519  
1 1 1 43 25 29 o 1.29785  0.314919  1.99805      0.810286 2.39481      1.16489  1.62612      1.12785  1.36455  0.400762  1.14351  0.399551  
1 1 1 43 25 30 o 2.30222  0.189923  5.64713      0.874492 5.51521      1.16738  5.8158       1.32009  2.21268  0.263793  2.24142  0.294476  
1 1 1 43 25 31 o 0.944013 0.340978  1.07751      0.827444 0.213779     1.08145  2.29713      1.28508  0.786367 0.347906  1.25986  0.427372  
1 1 1 43 25 32 o 0.662756 0.30304   -0.122056    0.907309 -0.151671    1.28498  -0.0926118   1.28129  0.752365 0.350504  0.758911 0.352179  
1 1 1 43 25 33 o 1.16787  0.37326   2.03323      0.983095 3.14283      1.41303  0.992238     1.36865  1.34466  0.448143  0.902697 0.395971  
1 1 1 43 25 34 o 0.950966 0.373273  1.55786      1.0345   2.30527      1.53524  0.936255     1.40008  1.0222   0.433132  0.829277 0.378185  
1 1 1 43 25 35 o 0.639719 0.304628  -0.162093    1.06444  -0.609318    1.54557  0.241419     1.4681   0.676789 0.332512  0.735416 0.352129  
1 1 1 43 26 0  o 2.54959  0.148615  6.58174      0.751922 6.58174      0.751922 6.58174      0.751922 2.55764  0.104336  ?        ?         
1 1 1 43 26 1  o 2.4589   0.106469  6.06107      0.523595 6.15062      0.74761  5.97486      0.733541 2.47396  0.151096  2.43841  0.150414  
1 1 1 43 26 2  o 5.38899  0.0672881 29.07        0.72523  28.1591      1.01718  30.0118      1.03429  5.3012   0.095939  5.47298  0.0944905 
1 1 1 43 26 3  o 2.61709  0.119202  6.87083      0.623927 7.23677      0.906117 6.5409       0.86039  2.68166  0.168947  2.54949  0.168738  
1 1 1 43 26 4  o 3.35872  0.0933689 11.3034      0.627199 12.4972      0.905027 10.2001      0.869997 3.52857  0.128243  3.18704  0.13649   
1 1 1 43 26 5  o 2.78905  0.10696   7.79963      0.596633 7.98094      0.866281 7.63602      0.822921 2.81728  0.153744  2.75616  0.149287  
1 1 1 43 26 6  o 0.655966 0.266743  0.177016     0.550074 0.364327     0.790284 0.000983449  0.766124 0.812643 0.323936  0.71157  0.303892  
1 1 1 43 26 7  o 0.687362 0.271068  0.278457     0.547928 0.602783     0.808633 0.00313555   0.745042 0.886125 0.334359  0.702082 0.299755  
1 1 1 43 26 8  o 2.75905  0.107867  7.63625      0.595219 7.23617      0.861462 8.00172      0.823364 2.68077  0.160674  2.82071  0.14595   
1 1 1 43 26 9  o 2.11812  0.136062  4.50983      0.576391 3.99457      0.831572 4.98629      0.799645 1.98651  0.209305  2.22297  0.17986   
1 1 1 43 26 10 o 3.65437  0.0913367 13.3872      0.667557 13.4873      0.96765  13.2963      0.92213  3.66318  0.132078  3.63789  0.12674   
1 1 1 43 26 11 o 7.02511  0.0864887 49.4659      1.21519  49.9281      1.67701  48.9549      1.76329  7.0506   0.118927  6.9796   0.126318  
1 1 1 43 26 12 o 2.04433  0.14077   4.20625      0.575563 4.72394      0.783988 3.60103      0.847676 2.16176  0.181331  1.88195  0.225212  
1 1 1 43 26 13 o 4.17406  0.0925575 17.4754      0.772681 19.833       1.06855  14.8915      1.11864  4.44204  0.120277  3.84454  0.145484  
1 1 1 43 26 14 o 1.93246  0.163747  3.77035      0.632869 3.72109      0.850918 3.83134      0.946757 1.91195  0.222526  1.93655  0.244444  
1 1 1 43 26 15 f 0.522513 0.243326  -0.54596     0.618494 -1.09214     0.85254  0.0608922    0.898645 0.565392 0.270146  0.776188 0.330233  
1 1 1 43 26 16 o 3.72482  0.101316  13.9308      0.754767 13.1117      1.06944  14.7437      1.06537  3.60525  0.148317  3.82501  0.139264  
1 1 1 43 26 17 o 2.24443  0.152225  5.08686      0.683319 5.44613      0.94513  4.69339      0.989085 2.3132   0.204291  2.14221  0.230856  
1 1 1 43 26 18 o 1.16448  0.289373  1.46663      0.671827 0.662251     0.947786 2.27893      0.952446 0.929972 0.358867  1.44296  0.335995  
1 1 1 43 26 19 o 1.06903  0.278801  1.23354      0.602222 1.13391      0.884083 1.31979      0.822581 1.05257  0.354477  1.10864  0.339296  
1 1 1 43 26 20 o 2.82436  0.129307  8.05447      0.730417 8.90161      1.00755  7.11609      1.06041  2.9587   0.170269  2.63675  0.201083  
1 1 1 43 26 21 o 2.50231  0.151551  6.35053      0.758456 7.25039      1.08415  5.48797      1.06145  2.65835  0.203914  2.30478  0.230271  
1 1 1 43 26 22 o 2.26809  0.161653  5.23618      0.733285 4.71101      1.04022  5.75495      1.03386  2.12743  0.244478  2.36054  0.218987  
1 1 1 43 26 23 f 1.95969  0.187278  3.94167      0.734014 3.91559      1.0033   3.97171      1.07668  1.93043  0.259866  1.93753  0.277849  
1 1 1 43 26 24 o 2.67458  0.153709  7.28567      0.822215 7.47989      1.12302  7.06128      1.20711  2.68941  0.208785  2.60306  0.231863  
1 1 1 43 26 25 o 0.859559 0.326872  0.642153     0.77784  0.144766     1.05745  1.22859      1.14821  0.82543  0.354915  1.09151  0.400936  
1 1 1 43 26 26 o 0.571061 0.267802  -0.661426    0.775513 -1.07413     1.12686  -0.290083    1.06891  0.663405 0.314732  0.74591  0.336907  
1 1 1 43 26 27 o 2.25013  0.184374  5.27362      0.829732 6.21447      1.203    4.41995      1.14592  2.40284  0.250328  2.00499  0.285766  
1 1 1 43 26 28 o 0.824954 0.3229    0.599271     0.773002 1.49555      1.10892  -0.247877    1.07811  1.11825  0.395645  0.741867 0.336542  
1 1 1 43 26 29 o 1.01846  0.336206  1.24197      0.795297 2.42115      1.06064  -0.272515    1.20202  1.37784  0.374952  0.763193 0.348896  
1 1 1 43 26 30 o 0.85572  0.330295  0.770622     0.802975 0.849144     1.05332  0.661675     1.24071  0.913081 0.36993   0.904509 0.386523  
1 1 1 43 26 31 o 1.52398  0.307244  2.8762       0.90362  1.52745      1.20982  4.57804      1.35898  1.04687  0.405145  1.84074  0.381926  
1 1 1 43 26 32 o 0.586694 0.281555  -0.769356    0.952021 -1.95121     1.35023  0.399048     1.34253  0.60288  0.298705  0.824336 0.374425  
1 1 1 43 26 33 f 0.579756 0.279708  -0.707872    0.970993 -0.4792      1.37715  -0.933936    1.36927  0.6961   0.335167  0.656213 0.320057  
1 1 1 43 26 34 o 0.919882 0.371891  1.47476      1.06134  0.828222     1.61366  1.9677       1.409    0.816494 0.383527  0.972427 0.413608  
1 1 1 43 26 35 f 0.754192 0.340676  0.972377     1.09318  1.90443      1.61407  0.182519     1.48586  0.835826 0.390718  0.682439 0.332948  
1 1 1 43 27 0  o 0.926477 0.381466  1.21852      0.696369 1.21852      0.696369 1.21852      0.696369 0.998261 0.284898  ?        ?         
1 1 1 43 27 1  o 7.95585  0.0774082 63.386       1.2317   63.9572      1.74229  62.8153      1.74147  7.98601  0.109084  7.9142   0.110022  
1 1 1 43 27 2  o 4.68106  0.0685803 21.9372      0.642058 21.8454      0.899037 22.0327      0.917251 4.6687   0.0962834 4.6885   0.0978191 
1 1 1 43 27 3  o 7.41525  0.0829557 55.0788      1.23027  53.9992      1.74175  56.1538      1.738    7.33577  0.118716  7.48123  0.116157  
1 1 1 43 27 4  o 4.12363  0.0865366 17.0364      0.71369  16.7243      1.00209  17.3577      1.01669  4.08183  0.122751  4.15847  0.122243  
1 1 1 43 27 5  o 5.76293  0.0780952 33.2641      0.900115 34.6872      1.30347  31.9669      1.24449  5.88024  0.110835  5.64506  0.110228  
1 1 1 43 27 6  o 7.12386  0.0813464 50.8406      1.159    48.9041      1.57363  53.1363      1.71343  6.98123  0.112704  7.27591  0.117747  
1 1 1 43 27 7  o 5.29435  0.0802857 28.0808      0.85012  29.3205      1.28061  27.104       1.13671  5.4043   0.118481  5.19751  0.109352  
1 1 1 43 27 8  o 5.44444  0.0812503 29.6986      0.884725 29.2929      1.26356  30.0888      1.23917  5.40167  0.11696   5.47525  0.113161  
1 1 1 43 27 9  o 2.98872  0.104277  8.96167      0.623309 8.74334      0.881514 9.17998      0.881471 2.94704  0.149559  3.02022  0.145928  
1 1 1 43 27 10 f 5.03601  0.0781989 25.4101      0.787621 26.5655      1.10507  24.2172      1.12287  5.14478  0.107397  4.91094  0.114323  
1 1 1 43 27 11 o 6.00155  0.0820355 36.0991      0.98468  35.2063      1.3291   37.1854      1.46605  5.92096  0.112236  6.08315  0.120501  
1 1 1 43 27 12 o 1.6289   0.170134  2.6808       0.554263 2.75334      0.725534 2.57913      0.858937 1.64499  0.220528  1.56037  0.285889  
1 1 1 43 27 13 o 2.96316  0.11303   8.82057      0.669852 8.00485      0.889277 9.89043      1.01843  2.81661  0.157863  3.12995  0.162691  
1 1 1 43 27 14 o 3.2319   0.107961  10.4903      0.697838 10.3342      0.956579 10.6679      1.02028  3.20137  0.149402  3.25127  0.156905  
1 1 1 43 27 15 o 1.32582  0.244851  1.85339      0.624854 2.50211      0.867504 1.15393      0.90079  1.53251  0.293501  1.07005  0.35781   
1 1 1 43 27 16 f 1.3332   0.247684  1.87724      0.635711 2.4776       0.892972 1.2603       0.905217 1.52039  0.304412  1.10386  0.358689  
1 1 1 43 27 17 o 3.09639  0.118556  9.6547       0.734191 8.07798      0.999544 11.5021      1.08195  2.82039  0.177199  3.3701   0.160522  
1 1 1 43 27 18 o 1.59218  0.225283  2.60179      0.717383 2.88943      1.00857  2.30724      1.0206   1.63242  0.320337  1.4449   0.355203  
1 1 1 43 27 19 f 0.876892 0.290738  0.77798      0.594731 0.696745     0.895061 0.842199     0.795812 0.92089  0.350509  0.940464 0.334921  
1 1 1 43 27 20 o 0.970499 0.298588  1.00132      0.6359   1.03948      0.913824 0.965491     0.885444 1.02235  0.359416  0.99508  0.353388  
1 1 1 43 27 21 o 2.76913  0.132565  7.75697      0.734178 7.77841      1.06875  7.73781      1.01029  2.75487  0.193974  2.75115  0.183612  
1 1 1 43 27 22 o 1.76999  0.201805  3.22794      0.714387 3.06433      1.02561  3.38213      0.995644 1.66615  0.319164  1.78834  0.278372  
1 1 1 43 27 23 o 2.16433  0.173029  4.79161      0.748983 4.27873      1.09756  5.2386       1.02464  2.01197  0.272759  2.24444  0.228261  
1 1 1 43 27 24 o 1.63955  0.237224  2.82034      0.77788  4.27591      1.09366  1.33004      1.10663  2.00386  0.272888  1.11409  0.395128  
1 1 1 43 27 25 o 0.587075 0.272923  -0.565629    0.77388  -0.552104    1.07873  -0.579971    1.11084  0.714641 0.328292  0.72234  0.332379  
1 1 1 43 27 26 o 2.41561  0.170413  6.03175      0.823302 6.40457      1.15554  5.64737      1.17331  2.45292  0.235545  2.29076  0.256096  
1 1 1 43 27 27 o 2.32308  0.176536  5.61104      0.820215 5.41169      1.1924   5.79008      1.13003  2.22646  0.26778   2.31988  0.243553  
1 1 1 43 27 28 o 0.975354 0.328932  1.10023      0.761254 1.2631       1.05247  0.921538     1.10241  1.04226  0.383758  0.962588 0.382945  
1 1 1 43 27 29 o 2.64131  0.165104  7.3213       0.872182 6.64306      1.13742  8.28924      1.35879  2.46079  0.231109  2.7296   0.248899  
1 1 1 43 27 30 o 0.834971 0.33531   0.678073     0.8547   1.9094       1.15325  -0.822389    1.27307  1.1746   0.404636  0.700818 0.333449  
1 1 1 43 27 31 o 0.659278 0.301674  -0.139394    0.901011 -2.01797     1.30542  1.56975      1.24516  0.591836 0.293348  1.03523  0.408511  
1 1 1 43 27 32 o 0.589503 0.283007  -0.749967    0.964075 0.935351     1.40602  -2.24542     1.32445  0.899181 0.397399  0.574538 0.286346  
1 1 1 43 27 33 o 0.976101 0.383386  1.67591      1.09196  2.14952      1.64459  1.3025       1.46031  0.992591 0.43474   0.884083 0.396819  
1 1 1 43 27 34 o 0.714671 0.327079  0.381164     1.05969  -1.57193     1.54366  2.1219       1.45732  0.623029 0.31032   0.981563 0.419161  
1 1 1 43 28 0  o 0.96757  0.378711  1.30195      0.697952 1.30195      0.697952 1.30195      0.697952 1.04569  0.273701  ?        ?         
1 1 1 43 28 1  o 2.3767   0.108479  5.6664       0.515644 5.68587      0.720962 5.646        0.737791 2.37729  0.151635  2.36855  0.155748  
1 1 1 43 28 2  o 4.50862  0.0689959 20.3537      0.622153 20.3568      0.856369 20.3504      0.905391 4.50641  0.0950167 4.50506  0.100486  
1 1 1 43 28 3  o 4.52454  0.0829602 20.5102      0.750714 19.6784      1.04887  21.3839      1.07495  4.42759  0.118447  4.61576  0.116443  
1 1 1 43 28 4  o 4.92506  0.0780462 24.2974      0.768763 24.779       1.08996  23.8206      1.08445  4.9696   0.109663  4.87231  0.111287  
1 1 1 43 28 5  o 11.2972  0.0991921 127.984      2.24119  127.848      3.15728  128.121      3.1819   11.2759  0.140002  11.2875  0.140948  
1 1 1 43 28 6  o 3.11356  0.100936  9.723        0.628537 9.55824      0.90482  9.87665      0.873765 3.08205  0.146789  3.13392  0.139405  
1 1 1 43 28 7  o 2.56473  0.113639  6.60328      0.582905 6.43592      0.81278  6.78052      0.836432 2.52718  0.160808  2.5939   0.161231  
1 1 1 43 28 8  o 2.57462  0.113053  6.65491      0.582134 6.74527      0.825333 6.56545      0.821207 2.58694  0.159519  2.55205  0.160892  
1 1 1 43 28 9  o 5.13313  0.0757346 26.3977      0.777511 26.8958      1.08916  25.8801      1.11028  5.17676  0.105197  5.07734  0.109337  
1 1 1 43 28 10 o 6.5993   0.0869387 43.6634      1.14747  42.9705      1.61606  44.3679      1.62955  6.53796  0.123591  6.64369  0.122639  
1 1 1 43 28 11 o 6.38076  0.0913614 40.8369      1.16591  42.7364      1.63233  38.8585      1.66587  6.51878  0.125202  6.21343  0.134054  
1 1 1 43 28 12 o 4.37073  0.0861897 19.1541      0.753423 19.7847      1.01376  18.376       1.12607  4.43754  0.114225  4.27333  0.131756  
1 1 1 43 28 13 o 2.92621  0.109452  8.60111      0.640558 8.68049      0.87278  8.50843      0.943069 2.93407  0.148732  2.90253  0.162456  
1 1 1 43 28 14 o 2.79795  0.115931  7.8703       0.648737 8.27216      0.906417 7.44825      0.928902 2.86188  0.15836   2.71337  0.171171  
1 1 1 43 28 15 o 1.44343  0.216802  2.1239       0.625877 1.72862      0.880781 2.52708      0.88953  1.26261  0.340835  1.53726  0.300027  
1 1 1 43 28 16 o 4.00111  0.101995  16.0915      0.816189 15.4054      1.10298  16.922       1.21345  3.90585  0.141195  4.09155  0.148287  
1 1 1 43 28 17 o 2.82094  0.130566  8.02698      0.736636 8.0394       1.03525  8.01425      1.0484   2.81109  0.184136  2.80599  0.186814  
1 1 1 43 28 18 o 3.13128  0.130613  9.90011      0.817973 11.2137      1.08775  8.19057      1.2409   3.32335  0.163653  2.82321  0.219767  
1 1 1 43 28 19 o 0.827909 0.292741  0.646096     0.607013 0.396657     0.850959 0.904511     0.866134 0.826784 0.333516  0.973535 0.349134  
1 1 1 43 28 20 o 3.4591   0.110234  12.059       0.762625 11.6277      1.09011  12.4723      1.06728  3.38159  0.161182  3.50538  0.152235  
1 1 1 43 28 21 o 1.70564  0.20399   2.99657      0.695867 2.02284      0.994442 3.93085      0.974083 1.33649  0.362779  1.9391   0.251168  
1 1 1 43 28 22 o 2.56836  0.147029  6.70464      0.75525  5.9589       1.08871  7.39644      1.04859  2.39455  0.22733   2.68099  0.19556   
1 1 1 43 28 23 o 2.69251  0.147999  7.3803       0.796979 7.26801      1.17192  7.47691      1.08706  2.64307  0.221696  2.68963  0.202083  
1 1 1 43 28 24 o 2.2614   0.173108  5.25085      0.78293  5.98152      1.10335  4.50981      1.11115  2.38931  0.230894  2.05747  0.270028  
1 1 1 43 28 25 o 0.823069 0.32174   0.558662     0.766939 0.616879     1.05309  0.492911     1.11916  0.909863 0.369381  0.899945 0.374918  
1 1 1 43 28 26 o 1.1349   0.327169  1.50436      0.783422 0.450508     1.0858   2.64871      1.13146  0.874246 0.367037  1.47393  0.381106  
1 1 1 43 28 27 o 0.518596 0.250231  -1.02136     0.777694 -0.598367    1.08491  -1.46845     1.11538  0.694037 0.32284   0.608152 0.294599  
1 1 1 43 28 28 f 0.7577   0.316934  0.352009     0.804746 0.268548     1.11924  0.441337     1.15791  0.823974 0.359781  0.863464 0.371334  
1 1 1 43 28 29 o 2.05247  0.217648  4.59065      0.893431 5.16607      1.20871  3.89763      1.32649  2.11627  0.285576  1.71783  0.394231  
1 1 1 43 28 30 o 0.791597 0.333335  0.517069     0.900006 1.01951      1.25503  -0.0148693   1.29135  0.943014 0.395196  0.785715 0.360207  
1 1 1 43 28 31 o 1.74694  0.278796  3.70029      0.97408  4.79409      1.39497  2.65944      1.36078  1.82807  0.392834  1.25896  0.438973  
1 1 1 43 28 32 o 1.04886  0.373113  1.75583      0.987414 1.26555      1.4399   2.19105      1.35664  0.914538 0.403433  1.08606  0.427091  
1 1 1 43 28 33 o 0.721352 0.331101  0.379547     1.09476  1.39551      1.58172  -0.55471     1.51678  0.875559 0.400248  0.685884 0.33495   
1 1 1 43 28 34 o 0.698439 0.322865  0.488415     1.06353  0.66161      1.5687   0.341093     1.44679  0.743878 0.358061  0.709826 0.342207  
1 1 1 43 29 0  o 6.94994  0.100689  48.4025      1.3989   48.4025      1.3989   48.4025      1.3989   6.95358  0.0711433 ?        ?         
1 1 1 43 29 1  o 9.183    0.0850571 84.5034      1.56216  83.2949      2.21973  85.6893      2.19887  9.10725  0.121866  9.23813  0.11901   
1 1 1 43 29 2  o 3.37849  0.078553  11.4347      0.530782 11.9021      0.738842 10.9361      0.763018 3.44423  0.107258  3.30063  0.115587  
1 1 1 43 29 3  o 0.680958 0.269764  0.265776     0.544948 1.40684      0.826578 -0.611503    0.724765 1.15496  0.337071  0.570799 0.26488   
1 1 1 43 29 4  o 8.10655  0.0815189 65.8463      1.32167  65.3659      1.8514   66.3456      1.88738  8.06918  0.11472   8.12904  0.116089  
1 1 1 43 29 5  o 0.591723 0.256303  -0.0636423   0.559193 0.181125     0.800745 -0.296637    0.781251 0.767208 0.318217  0.654384 0.292067  
1 1 1 43 29 6  o 3.79853  0.0863069 14.4623      0.655678 14.5956      0.935034 14.3335      0.919695 3.81143  0.122662  3.77718  0.121744  
1 1 1 43 29 7  o 5.20781  0.0778655 27.1741      0.811017 26.0865      1.13025  28.3285      1.16442  5.0973   0.110868  5.31207  0.109601  
1 1 1 43 29 8  o 7.16313  0.0863466 51.439       1.23702  50.3319      1.81962  52.3904      1.68676  7.07462  0.128602  7.22139  0.116789  
1 1 1 43 29 9  o 3.83832  0.0989513 14.784       0.759613 14.6949      1.06463  14.8763      1.08415  3.82016  0.139343  3.84333  0.141043  
1 1 1 43 29 10 o 5.80382  0.0931425 33.7895      1.08116  34.1058      1.51844  33.4642      1.53978  5.82211  0.130403  5.76623  0.133517  
1 1 1 43 29 11 o 1.20043  0.293105  1.54285      0.698565 1.41219      0.975131 1.6806       1.00122  1.1649   0.371688  1.25387  0.372464  
1 1 1 43 29 12 o 0.764673 0.306195  0.321914     0.709796 0.0802464    0.966379 0.605012     1.04594  0.806235 0.342717  0.950958 0.374676  
1 1 1 43 29 13 f 1.1916   0.288308  1.52359      0.680634 2.08222      0.956707 0.951078     0.968524 1.38371  0.346212  1.02139  0.368905  
1 1 1 43 29 14 f 3.23492  0.103047  10.511       0.666696 10.6317      0.913228 10.3734      0.975555 3.24713  0.140621  3.20518  0.152184  
1 1 1 43 29 15 o 1.13115  0.280435  1.38033      0.632084 1.62942      0.89271  1.1299       0.895099 1.22269  0.348207  1.05551  0.356678  
1 1 1 43 29 16 o 2.95168  0.125661  8.78248      0.741825 9.02707      1.02947  8.5183       1.0699   2.98194  0.172617  2.89351  0.184879  
1 1 1 43 29 17 o 1.02994  0.302683  1.13896      0.664283 1.40121      0.885794 0.801932     1.00418  1.13883  0.352818  0.977227 0.371462  
1 1 1 43 29 18 o 2.66402  0.142067  7.18175      0.756939 6.92885      1.03444  7.47324      1.11056  2.60202  0.198776  2.70013  0.205649  
1 1 1 43 29 19 o 2.88399  0.133743  8.41138      0.771427 8.07161      1.05992  8.7941       1.1249   2.80935  0.188642  2.93126  0.19188   
1 1 1 43 29 20 o 2.74336  0.127658  7.61164      0.700422 8.16768      1.03712  7.14537      0.949727 2.8249   0.183568  2.6435   0.179635  
1 1 1 43 29 21 o 1.57016  0.221042  2.5561       0.694142 1.63258      1.00338  3.40378      0.961302 1.20629  0.375868  1.79719  0.267445  
1 1 1 43 29 22 o 1.14559  0.304726  1.45697      0.710529 1.62968      1.03422  1.30258      0.977825 1.20413  0.382641  1.1001   0.372797  
1 1 1 43 29 23 o 1.28789  0.290945  1.8432       0.731794 1.3445       1.03553  2.34072      1.0343   1.11041  0.38334   1.42357  0.362274  
1 1 1 43 29 24 o 0.909463 0.327468  0.833693     0.762645 0.125016     1.06217  1.58782      1.0957   0.816269 0.353397  1.17353  0.394627  
1 1 1 43 29 25 o 1.17532  0.331991  1.61493      0.814726 0.956238     1.1392   2.30457      1.16565  0.998289 0.391738  1.36786  0.400624  
1 1 1 43 29 26 f 0.670178 0.295872  -0.0565824   0.776544 0.0275768    1.06337  -0.152748    1.13669  0.785047 0.346453  0.777479 0.349496  
1 1 1 43 29 27 o 0.711772 0.308071  0.127072     0.806758 0.0909188    1.13162  0.164439     1.15047  0.804075 0.355794  0.821445 0.361668  
1 1 1 43 29 28 o 1.05259  0.34286   1.37748      0.827087 1.52101      1.15578  1.22683      1.18409  1.08687  0.401837  1.01638  0.399223  
1 1 1 43 29 29 o 1.47724  0.310593  2.66339      0.888608 3.49161      1.22133  1.73181      1.2953   1.62254  0.382212  1.11834  0.422825  
1 1 1 43 29 30 o 0.851698 0.339396  0.839657     0.867259 -0.0271696   1.21104  1.75216      1.24254  0.75411  0.347019  1.07642  0.412023  
1 1 1 43 29 31 o 0.898878 0.36049   1.06514      0.98601  -0.545286    1.51427  2.25054      1.29917  0.743396 0.356353  1.15889  0.426401  
1 1 1 43 29 32 o 0.826556 0.350666  0.962741     1.00832  -0.446122    1.39705  2.49462      1.45677  0.689498 0.333243  1.08488  0.436891  
1 1 1 43 29 33 o 0.821365 0.350961  1.00418      1.02275  1.17002      1.45233  0.841041     1.4405   0.850276 0.387066  0.80982  0.374888  
1 1 1 43 30 0  o 3.86442  0.117142  15.0064      0.903493 15.0064      0.903493 15.0064      0.903493 3.86912  0.0826446 ?        ?         
1 1 1 43 30 1  o 8.6024   0.078423  74.1422      1.34925  75.6511      1.96356  72.7924      1.85715  8.68053  0.113101  8.51613  0.109037  
1 1 1 43 30 2  o 2.44441  0.0986699 5.99328      0.48238  6.48822      0.665492 5.44535      0.700208 2.54038  0.130983  2.32528  0.150564  
1 1 1 43 30 3  o 5.25841  0.0803055 27.707       0.844558 27.3527      1.23095  28.0221      1.1609   5.21846  0.117942  5.28347  0.109861  
1 1 1 43 30 4  o 6.11412  0.0773571 37.4541      0.945941 38.3545      1.36954  36.6326      1.3081   6.18081  0.11079   6.04102  0.108268  
1 1 1 43 30 5  o 1.27727  0.232443  1.71007      0.571831 2.79147      0.80985  0.63484      0.807537 1.65436  0.244762  0.891547 0.334631  
1 1 1 43 30 6  o 3.70067  0.0879901 13.731       0.651244 12.3732      0.896808 15.2459      0.947258 3.50772  0.127833  3.89472  0.121608  
1 1 1 43 30 7  o 2.87234  0.109422  8.28535      0.628592 7.40338      0.907966 9.09717      0.871106 2.70736  0.167685  3.00491  0.144947  
1 1 1 43 30 8  o 2.47994  0.135218  6.19065      0.670664 6.21412      0.947041 6.16703      0.949888 2.47645  0.191209  2.46683  0.192533  
1 1 1 43 30 9  o 2.71791  0.131421  7.43271      0.714378 6.57493      1.02013  8.25815      1.00072  2.54575  0.200359  2.85791  0.175078  
1 1 1 43 30 10 o 0.982381 0.310887  0.991646     0.683231 0.0864635    0.943419 1.99001      0.99079  0.799294 0.339152  1.35427  0.359659  
1 1 1 43 30 11 o 4.60953  0.107867  21.3443      0.994429 21.7074      1.32874  20.8819      1.49934  4.64058  0.143165  4.54559  0.164922  
1 1 1 43 30 12 o 2.55478  0.14697   6.58324      0.750953 5.69395      1.04277  7.54132      1.08235  2.36316  0.220631  2.7246   0.198626  
1 1 1 43 30 13 o 3.13498  0.120803  9.88948      0.75743  10.5497      1.03406  9.12521      1.11258  3.23025  0.160059  2.99865  0.185514  
1 1 1 43 30 14 o 1.9128   0.192106  3.72593      0.734918 4.46814      1.06279  3.04584      1.01736  2.08057  0.25541   1.6809   0.314275  
1 1 1 43 30 15 o 1.92061  0.168525  3.74208      0.647339 4.34974      0.835231 2.82798      1.02442  2.06417  0.202317  1.61191  0.329149  
1 1 1 43 30 16 o 2.78645  0.125384  7.83279      0.698753 8.80037      0.979583 6.83046      0.997019 2.94366  0.166389  2.58657  0.19273   
1 1 1 43 30 17 o 1.15655  0.284875  1.45466      0.655486 0.436833     0.877672 2.73845      0.985699 0.846367 0.339828  1.58212  0.322688  
1 1 1 43 30 18 o 1.24846  0.29492   1.70399      0.725563 2.17075      0.983913 1.14761      1.07423  1.39349  0.352578  1.07965  0.388657  
1 1 1 43 30 19 o 2.57152  0.151264  6.71586      0.77796  6.28261      1.11027  7.13375      1.0904   2.46424  0.225277  2.63269  0.207088  
1 1 1 43 30 20 o 2.51526  0.133491  6.41097      0.671533 3.99633      0.990529 8.46474      0.913519 1.95271  0.25363   2.88251  0.158459  
1 1 1 43 30 21 o 0.707199 0.291479  0.223422     0.665733 -0.0477385   0.942269 0.493686     0.940709 0.754539 0.329783  0.870581 0.350878  
1 1 1 43 30 22 o 2.42818  0.147046  6.00751      0.714111 5.76651      0.999191 6.25914      1.02097  2.35564  0.212084  2.45603  0.20785   
1 1 1 43 30 23 f 2.98331  0.140682  9.0685       0.839395 8.62746      1.14152  9.58773      1.23858  2.8839   0.197912  3.03679  0.20393   
1 1 1 43 30 24 o 1.42591  0.293885  2.29573      0.80946  2.53479      1.13768  2.05063      1.15195  1.44636  0.385985  1.29692  0.40246   
1 1 1 43 30 25 o 1.69557  0.24442   3.08947      0.828862 3.62255      1.1199   2.44376      1.23255  1.76872  0.328878  1.39452  0.413057  
1 1 1 43 30 26 o 0.710993 0.30428   0.164187     0.770911 -0.00206062  1.0509   0.357886     1.13435  0.770311 0.341604  0.856816 0.367973  
1 1 1 43 30 27 o 0.795952 0.32387   0.508346     0.81143  2.89419      1.18338  -1.60886     1.11476  1.48965  0.3919    0.58672  0.286669  
1 1 1 43 30 28 o 0.983216 0.345034  1.18426      0.841829 1.01681      1.15584  1.37344      1.22854  0.961621 0.38837   1.04598  0.407551  
1 1 1 43 30 29 o 1.97218  0.234839  4.38658      0.926291 5.71891      1.36854  3.26019      1.25834  2.15291  0.317835  1.50615  0.407752  
1 1 1 43 30 30 o 0.978037 0.370535  1.35029      0.996427 0.944048     1.54181  1.64165      1.30575  0.920074 0.410485  1.03275  0.414567  
1 1 1 43 30 31 o 0.660482 0.309142  -0.158279    1.01537  -0.64669     1.44017  0.32444      1.43176  0.698773 0.337833  0.792538 0.369514  
1 1 1 43 30 32 o 0.659461 0.31035   -0.0535697   1.06637  0.597713     1.54422  -0.647256    1.47436  0.786674 0.371165  0.672641 0.328889  
1 1 1 43 30 33 o 0.621432 0.298976  -0.246351    1.0904   -4.12679     1.65191  2.74993      1.45157  ?        ?         1.03183  0.428239  
1 1 1 43 31 0  o 6.2996   0.100693  39.7829      1.26792  39.7829      1.26792  39.7829      1.26792  6.30346  0.0711363 ?        ?         
1 1 1 43 31 1  f 5.04478  0.0734391 25.496       0.740968 25.9575      1.03632  25.0134      1.05985  5.08587  0.101883  4.99177  0.106159  
1 1 1 43 31 2  o 3.4098   0.0788863 11.6513      0.537973 13.0772      0.759931 10.2188      0.761689 3.60938  0.105272  3.18889  0.119429  
1 1 1 43 31 3  o 3.37461  0.0974293 11.4254      0.657572 10.423       0.958221 12.3175      0.904037 3.21605  0.148975  3.49947  0.129168  
1 1 1 43 31 4  o 2.89651  0.101225  8.42016      0.586396 8.54603      0.846171 8.30385      0.81338  2.91244  0.145268  2.87141  0.141634  
1 1 1 43 31 5  o 1.99741  0.144244  4.01963      0.576227 3.58546      0.796433 4.49655      0.83473  1.87827  0.212013  2.10554  0.198222  
1 1 1 43 31 6  o 0.577033 0.247868  -0.0220799   0.514893 0.425297     0.708193 -0.523751    0.749936 0.794495 0.309458  0.596709 0.273952  
1 1 1 43 31 7  o 0.714435 0.289428  0.238095     0.644703 0.0034012    0.906862 0.477915     0.916713 0.767888 0.329371  0.88108  0.349618  
1 1 1 43 31 8  o 4.14007  0.0981328 17.2001      0.812552 17.479       1.14919  16.9212      1.14906  4.1663   0.137915  4.09881  0.14017   
1 1 1 43 31 9  o 2.61785  0.143273  6.90679      0.750136 7.31818      1.0411   6.46263      1.08178  2.68598  0.193802  2.52006  0.214633  
1 1 1 43 31 10 o 4.11672  0.111834  17.0315      0.920781 17.4146      1.24132  16.5627      1.37298  4.1547   0.149387  4.04666  0.169643  
1 1 1 43 31 11 o 1.93609  0.187493  3.80145      0.726007 5.1727       1.04694  2.53123      1.00764  2.24974  0.232681  1.52789  0.338707  
1 1 1 43 31 12 o 5.7209   0.0963924 32.8644      1.1029   33.8975      1.50596  31.6693      1.61973  5.80033  0.129817  5.60142  0.144582  
1 1 1 43 31 13 o 2.08797  0.178188  4.42873      0.744101 4.66606      1.04824  4.18767      1.05644  2.12831  0.246261  2.01226  0.262502  
1 1 1 43 31 14 o 1.99378  0.197259  4.05447      0.786583 2.87521      1.13249  5.15362      1.09334  1.61423  0.360047  2.23608  0.244476  
1 1 1 43 31 15 o 0.770298 0.311589  0.317705     0.74563  0.140003     1.07955  0.479806     1.03108  0.849286 0.36166   0.905427 0.366343  
1 1 1 43 31 16 o 3.22374  0.119588  10.4799      0.771041 11.9579      1.0423   8.69353      1.14588  3.43483  0.151725  2.91553  0.196512  
1 1 1 43 31 17 o 1.20843  0.283458  1.58992      0.673972 1.66479      0.897942 1.49332      1.01995  1.22559  0.349288  1.17384  0.380701  
1 1 1 43 31 18 o 3.06156  0.127262  9.47502      0.779237 9.25635      1.09793  9.69697      1.10613  3.00896  0.182443  3.08082  0.17952   
1 1 1 43 31 19 o 1.33719  0.284637  1.95954      0.738515 1.94015      1.01837  1.98104      1.07257  1.3061   0.371892  1.31763  0.383778  
1 1 1 43 31 20 o 2.38163  0.167291  5.79329      0.796853 5.62286      1.07947  5.99736      1.18124  2.32385  0.232258  2.39392  0.246716  
1 1 1 43 31 21 o 2.89836  0.123036  8.5078       0.713206 8.21228      1.02186  8.78848      0.995892 2.8271   0.180726  2.92912  0.169999  
1 1 1 43 31 22 o 2.08009  0.173901  4.4448       0.723459 5.81371      1.03609  3.1423       1.01064  2.36031  0.219481  1.6791   0.31261   
1 1 1 43 31 23 o 0.862776 0.326332  0.687527     0.771816 0.0451641    1.02862  1.51514      1.16756  0.78776  0.344431  1.1505   0.406079  
1 1 1 43 31 24 o 0.797346 0.321209  0.463526     0.787822 0.111861     1.12042  0.807428     1.10798  0.820822 0.359174  0.9566   0.382762  
1 1 1 43 31 25 o 1.14632  0.335692  1.55933      0.818473 1.90497      1.13953  1.191        1.17634  1.2357   0.402443  1.04629  0.400779  
1 1 1 43 31 26 f 0.614871 0.282446  -0.366162    0.798367 0.160522     1.11307  -0.92424     1.14576  0.808073 0.35576   0.667897 0.317098  
1 1 1 43 31 27 f 1.85231  0.240664  3.79793      0.891567 3.69941      1.21639  3.91231      1.31061  1.70398  0.367404  1.73227  0.387997  
1 1 1 43 31 28 o 1.36412  0.322858  2.3272       0.868243 2.58254      1.22133  2.0663       1.23454  1.34567  0.41376   1.19971  0.418134  
1 1 1 43 31 29 o 0.772595 0.327126  0.511744     0.874659 0.107742     1.30601  0.840318     1.1778   0.788951 0.361924  0.882505 0.376841  
1 1 1 43 31 30 o 0.89488  0.361179  1.05053      0.998732 0.985387     1.44534  1.11007      1.38165  0.909013 0.402181  0.924323 0.401656  
1 1 1 43 31 31 o 0.757205 0.338528  0.567187     1.05353  0.759482     1.49652  0.37825      1.48339  0.820569 0.380723  0.778067 0.366129  
1 1 1 43 31 32 o 1.21965  0.392324  2.62493      1.0848   2.3263       1.56262  2.90274      1.50717  1.00877  0.432512  1.1236   0.447521  
1 1 1 43 32 0  o 0.566046 0.338963  0.3674       0.669343 0.3674       0.669343 0.3674       0.669343 0.520029 0.296024  ?        ?         
1 1 1 43 32 1  o 2.52649  0.102051  6.40707      0.515659 6.27671      0.718363 6.54566      0.740652 2.49598  0.143904  2.54871  0.145299  
1 1 1 43 32 2  o 6.42854  0.0735087 41.4064      0.945107 43.0789      1.37968  39.9277      1.29729  6.55031  0.105314  6.30676  0.102849  
1 1 1 43 32 3  o 1.90629  0.149112  3.66295      0.5685   3.66234      0.846679 3.66345      0.767152 1.8967   0.223198  1.90005  0.201877  
1 1 1 43 32 4  o 4.47318  0.0821456 20.0577      0.734905 20.0651      1.08622  20.0515      0.998002 4.46749  0.121569  4.46783  0.111688  
1 1 1 43 32 5  o 4.62757  0.084028  21.4684      0.777691 20.4025      1.05182  22.7538      1.15505  4.50585  0.116718  4.75746  0.121394  
1 1 1 43 32 6  o 1.07797  0.30128   1.23662      0.674454 1.75363      0.927302 0.655936     0.982755 1.27468  0.352246  0.945827 0.365336  
1 1 1 43 32 7  o 3.71163  0.105337  13.8346      0.781945 13.7831      1.0998   13.8872      1.11198  3.69692  0.148745  3.71062  0.149837  
1 1 1 43 32 8  f 1.14414  0.305819  1.40494      0.713473 0.835162     1.00684  1.97963      1.01117  0.998447 0.373869  1.3485   0.36572   
1 1 1 43 32 9  o 2.74898  0.142954  7.61872      0.785954 7.33549      1.09775  7.9166       1.1258   2.68589  0.204354  2.79085  0.201694  
1 1 1 43 32 10 o 3.94187  0.107521  15.6133      0.847667 15.5274      1.18833  15.7023      1.20952  3.92157  0.151512  3.94313  0.15337   
1 1 1 43 32 11 o 2.30591  0.153633  5.37667      0.708526 4.92455      0.977782 5.87654      1.02813  2.19356  0.222875  2.39829  0.214346  
1 1 1 43 32 12 o 4.57845  0.109806  21.0892      1.00548  23.79        1.3539   17.7678      1.50145  4.85392  0.139465  4.18158  0.179531  
1 1 1 43 32 13 o 2.66567  0.145961  7.18483      0.778166 7.29193      1.09223  7.07442      1.10895  2.6713   0.204437  2.62936  0.210879  
1 1 1 43 32 14 o 5.89056  0.109787  34.9363      1.29342  34.066       1.83958  35.7872      1.81894  5.79509  0.158719  5.94264  0.153041  
1 1 1 43 32 15 o 1.71076  0.228191  3.01648      0.780762 3.09988      1.0744   2.92315      1.13655  1.68263  0.331057  1.6209   0.360055  
1 1 1 43 32 16 o 6.24258  0.117734  39.3049      1.46993  38.5449      2.02698  40.1479      2.13481  6.15639  0.164624  6.27964  0.169978  
1 1 1 43 32 17 o 1.45613  0.226153  2.19271      0.658617 2.76361      0.900318 1.53546      0.965998 1.5957   0.293058  1.18037  0.369002  
1 1 1 43 32 18 o 1.52568  0.238531  2.42622      0.727845 2.45229      1.051    2.40219      1.00894  1.46987  0.359907  1.45852  0.349851  
1 1 1 43 32 19 o 1.85375  0.20093   3.54184      0.744948 4.4916       1.03347  2.51465      1.07477  2.07084  0.24953   1.48521  0.364135  
1 1 1 43 32 20 o 0.64752  0.285728  -0.124217    0.722993 -0.229182    0.985843 -0.00206317  1.0635   0.736062 0.328316  0.804015 0.350891  
1 1 1 43 32 21 o 2.05066  0.161227  4.30168      0.661244 4.41939      0.966316 4.19803      0.906799 2.05253  0.235396  2.00404  0.226243  
1 1 1 43 32 22 o 2.54525  0.160447  6.65144      0.816757 6.1642       1.0845   7.28997      1.24149  2.42082  0.223994  2.62522  0.236455  
1 1 1 43 32 23 f 1.47899  0.28158   2.45222      0.802926 2.40848      1.11243  2.49978      1.16008  1.40646  0.384558  1.4276   0.393758  
1 1 1 43 32 24 o 1.59833  0.245267  2.75234      0.784034 1.47508      1.10616  4.04184      1.11145  1.11843  0.395207  1.90869  0.291154  
1 1 1 43 32 25 o 1.63265  0.244156  2.90274      0.797242 2.94537      1.1311   2.86066      1.12388  1.54082  0.37095   1.51632  0.372731  
1 1 1 43 32 26 f 0.918331 0.343463  0.942338     0.849238 0.471274     1.14629  1.51546      1.26438  0.859448 0.369532  1.09126  0.416231  
1 1 1 43 32 27 o 0.802749 0.3312    0.531259     0.860408 -0.679503    1.19313  1.8431       1.24194  0.696415 0.327897  1.15646  0.417738  
1 1 1 43 32 28 o 1.75012  0.257863  3.54841      0.902583 3.19959      1.27825  3.89527      1.27465  1.47332  0.415737  1.67802  0.387371  
1 1 1 43 32 29 o 0.641111 0.299615  -0.313527    0.94832  0.215016     1.4111   -0.748848    1.28063  0.810506 0.373612  0.680565 0.326591  
1 1 1 43 32 30 o 1.13898  0.3862    2.14143      1.0494   0.873786     1.55031  3.21346      1.42568  0.861172 0.394748  1.29438  0.449509  
1 1 1 43 32 31 o 0.599045 0.288084  -0.486351    1.00974  0.671829     1.43991  -1.60698     1.41637  0.788253 0.368696  0.599865 0.298569  
1 1 1 43 32 32 o 0.930576 0.373342  1.71758      1.05813  -0.380676    1.53039  3.63936      1.46462  0.671244 0.330138  1.20781  0.451187  
1 1 1 43 33 0  f 3.7704   0.1102    14.2837      0.829386 14.2837      0.829386 14.2837      0.829386 3.77488  0.0777543 ?        ?         
1 1 1 43 33 1  o 2.85481  0.0943657 8.17651      0.538792 7.85754      0.747707 8.52102      0.777075 2.79391  0.13381   2.90952  0.13354   
1 1 1 43 33 2  o 2.97381  0.0834412 8.86628      0.496277 8.5384       0.667968 9.27027      0.741452 2.91495  0.114576  3.03631  0.122098  
1 1 1 43 33 3  o 2.77647  0.111171  7.74447      0.617324 6.55134      0.924449 8.7047       0.829333 2.54379  0.181707  2.93938  0.141073  
1 1 1 43 33 4  o 1.60167  0.177796  2.59636      0.569542 2.82388      0.820007 2.3843       0.79165  1.66115  0.246819  1.5008   0.273905  
1 1 1 43 33 5  o 2.20233  0.149427  4.89275      0.658176 4.73345      0.923314 5.05731      0.938473 2.15634  0.214093  2.22955  0.210463  
1 1 1 43 33 6  o 5.27892  0.0986638 27.9747      1.04168  26.3286      1.35062  30.3914      1.63652  5.11341  0.132066  5.4886   0.149083  
1 1 1 43 33 7  o 1.21435  0.293728  1.58447      0.706623 2.11125      1.00873  1.0769       0.990158 1.39112  0.359915  1.06128  0.374022  
1 1 1 43 33 8  o 2.75344  0.142454  7.64463      0.784478 7.59071      1.07311  7.70652      1.14968  2.73334  0.196301  2.75124  0.208938  
1 1 1 43 33 9  o 3.01323  0.125104  9.14406      0.753936 9.6678       1.07835  8.64323      1.0545   3.08799  0.174605  2.91837  0.180666  
1 1 1 43 33 10 o 1.14787  0.293058  1.42545      0.675202 1.7084       0.948764 1.13509      0.961117 1.25035  0.359909  1.06727  0.369227  
1 1 1 43 33 11 o 2.15475  0.164385  4.70651      0.708418 4.60601      0.997049 4.80897      1.00673  2.11663  0.235527  2.16348  0.232665  
1 1 1 43 33 12 o 2.82583  0.139529  8.06863      0.788572 7.00194      1.10162  9.18961      1.12931  2.61511  0.210626  3.00303  0.188029  
1 1 1 43 33 13 o 2.42922  0.162925  5.99081      0.791561 6.66109      1.14513  5.37748      1.0954   2.54414  0.225052  2.28145  0.240067  
1 1 1 43 33 14 o 4.86008  0.104862  23.7743      1.01927  25.1962      1.40971  22.2166      1.47548  4.99013  0.14125   4.67906  0.157668  
1 1 1 43 33 15 o 2.65788  0.162567  7.18057      0.86417  6.59511      1.2405   7.73257      1.20454  2.5205   0.246082  2.73938  0.219856  
1 1 1 43 33 16 o 3.73804  0.132157  14.1359      0.988018 15.0078      1.29915  12.9399      1.52161  3.83738  0.169275  3.54296  0.214737  
1 1 1 43 33 17 o 3.07158  0.141036  9.57369      0.866407 8.82582      1.21317  10.3522      1.23777  2.92476  0.207397  3.17324  0.195032  
1 1 1 43 33 18 f 1.11536  0.300039  1.37507      0.684028 1.33203      0.950803 1.42125      0.984818 1.10803  0.36761   1.13867  0.374127  
1 1 1 43 33 19 o 0.880749 0.315565  0.749486     0.707442 0.134896     0.975435 1.4315       1.02755  0.800741 0.342467  1.14188  0.382157  
1 1 1 43 33 20 o 1.76229  0.210891  3.22717      0.743302 3.34777      0.990763 3.07189      1.12421  1.76971  0.279922  1.63949  0.352956  
1 1 1 43 33 21 o 2.4938   0.161345  6.38101      0.804722 6.19566      1.08386  6.60868      1.20127  2.42974  0.223041  2.49999  0.240255  
1 1 1 43 33 22 f 2.72337  0.15793   7.63041      0.860204 6.95329      1.20212  8.34097      1.23144  2.55641  0.235118  2.8111   0.219031  
1 1 1 43 33 23 o 1.78554  0.222644  3.38598      0.795078 3.71167      1.11366  3.0474       1.13548  1.79516  0.321848  1.59399  0.364018  
1 1 1 43 33 24 o 1.09724  0.331476  1.4301       0.788504 1.83622      1.12423  1.03688      1.10621  1.21011  0.399732  0.995705 0.386983  
1 1 1 43 33 25 o 2.60804  0.164813  7.10618      0.859679 6.26715      1.16982  8.09132      1.2676   2.38723  0.245016  2.72472  0.232611  
1 1 1 43 33 26 o 0.914542 0.350695  0.933914     0.901504 0.243174     1.29602  1.58143      1.25482  0.846978 0.377152  1.09782  0.415842  
1 1 1 43 33 27 o 1.84313  0.244616  3.84172      0.901715 4.63038      1.27421  3.05056      1.27623  1.90433  0.347441  1.45331  0.41713   
1 1 1 43 33 28 o 0.71914  0.31823   0.226568     0.905467 1.00738      1.31234  -0.482859    1.25091  0.919051 0.395283  0.704158 0.332901  
1 1 1 43 33 29 o 0.644374 0.302492  -0.359479    0.998662 -0.9783      1.48202  0.155225     1.35161  0.697725 0.338487  0.785025 0.363305  
1 1 1 43 33 30 o 0.534126 0.263093  -1.16521     0.985015 -0.567027    1.34976  -1.84675     1.44073  0.668951 0.324059  0.598313 0.298259  
1 1 1 43 33 31 o 0.711322 0.325203  0.352797     1.04449  -0.398833    1.50583  1.04974      1.45001  0.697101 0.339126  0.833989 0.382069  
1 1 1 43 34 0  o 1.4049   0.293972  2.24017      0.727471 2.24017      0.727471 2.24017      0.727471 1.45894  0.182748  ?        ?         
1 1 1 43 34 1  o 4.28475  0.0756081 18.4007      0.647923 18.8398      0.916923 17.9628      0.91568  4.33084  0.10586   4.2284   0.108277  
1 1 1 43 34 2  o 2.49736  0.105364  6.26435      0.526266 5.82696      0.778093 6.63314      0.714475 2.40137  0.16201   2.56558  0.139242  
1 1 1 43 34 3  o 4.15691  0.0864818 17.3314      0.718994 17.2285      1.02989  17.4294      1.00422  4.13789  0.124446  4.16272  0.120621  
1 1 1 43 34 4  o 4.97647  0.0856282 24.8381      0.852253 25.0839      1.28933  24.6473      1.13576  4.99159  0.12915   4.95147  0.114689  
1 1 1 43 34 5  o 3.52359  0.115073  12.482       0.810941 13.7122      1.14571  11.2469      1.14798  3.68487  0.155461  3.33353  0.172187  
1 1 1 43 34 6  o 1.79271  0.20853   3.27317      0.747668 4.01967      1.02695  2.43119      1.09065  1.97657  0.259781  1.48828  0.368005  
1 1 1 43 34 7  o 0.851625 0.310608  0.635962     0.688069 1.62738      0.96445  -0.391739    0.981938 1.22688  0.365787  0.721525 0.324561  
1 1 1 43 34 8  o 2.56765  0.144389  6.66116      0.74148  6.63125      1.02635  6.6938       1.07239  2.54977  0.201263  2.55967  0.209478  
1 1 1 43 34 9  o 2.37506  0.151121  5.70585      0.717844 5.87769      1.00478  5.52671      1.02592  2.39807  0.209498  2.32257  0.220858  
1 1 1 43 34 10 o 2.02445  0.177634  4.1655       0.71922  4.66239      1.00958  3.65346      1.02485  2.12835  0.237175  1.87534  0.273246  
1 1 1 43 34 11 o 1.43959  0.271571  2.21979      0.75331  2.94515      1.08615  1.54746      1.04569  1.63648  0.342872  1.19802  0.385167  
1 1 1 43 34 12 o 2.4637   0.167583  6.1685       0.825748 8.52284      1.20821  4.10488      1.13116  2.88287  0.20955   1.97969  0.285692  
1 1 1 43 34 13 o 1.31952  0.302759  1.90297      0.782473 0.526336     1.0617   3.53977      1.15769  0.922864 0.372425  1.79797  0.334437  
1 1 1 43 34 14 f 1.78064  0.230717  3.27684      0.821647 3.96855      1.14988  2.55521      1.17448  1.93867  0.296564  1.50028  0.388455  
1 1 1 43 34 15 o 3.76957  0.129408  14.3697      0.975626 15.7986      1.37867  12.9363      1.38082  3.93429  0.175212  3.55181  0.194383  
1 1 1 43 34 16 o 2.53699  0.162165  6.56213      0.82282  5.7745       1.11534  7.5027       1.21883  2.35464  0.236838  2.68846  0.226677  
1 1 1 43 34 17 o 3.13849  0.139163  9.99471      0.873524 10.2662      1.25868  9.74243      1.21327  3.15684  0.199358  3.07622  0.1972    
1 1 1 43 34 18 o 3.28502  0.140829  10.96        0.925253 11.7987      1.36282  10.2428      1.26021  3.38124  0.201527  3.15116  0.19996   
1 1 1 43 34 19 o 1.68278  0.210843  2.94222      0.709604 2.0986       0.943944 4.03848      1.07604  1.35378  0.347027  1.94544  0.276556  
1 1 1 43 34 20 o 1.20152  0.314444  1.63835      0.764363 1.18024      1.07948  2.099        1.08247  1.06314  0.388922  1.3338   0.384599  
1 1 1 43 34 21 o 1.99695  0.207925  4.18238      0.830431 3.80656      1.23492  4.49261      1.122    1.80578  0.354571  2.0336   0.275865  
1 1 1 43 34 22 o 0.631675 0.284808  -0.228568    0.76054  -0.119354    1.04844  -0.349865    1.10491  0.758391 0.338419  0.741456 0.337551  
1 1 1 43 34 23 o 1.15815  0.315644  1.57496      0.750941 1.92967      1.06504  1.22429      1.05896  1.2469   0.38699   1.04265  0.384808  
1 1 1 43 34 24 o 1.16019  0.324738  1.62434      0.783003 1.89266      1.09044  1.33873      1.12504  1.21429  0.393618  1.06022  0.39556   
1 1 1 43 34 25 o 0.758263 0.321948  0.332007     0.851026 -0.506229    1.25143  1.05316      1.16074  0.737296 0.344417  0.97513  0.391106  
1 1 1 43 34 26 o 2.26857  0.206804  5.58548      0.938297 6.39337      1.34968  4.8298       1.30533  2.34145  0.288215  1.99442  0.327247  
1 1 1 43 34 27 o 0.836291 0.338748  0.76187      0.882973 0.984586     1.25274  0.541994     1.24473  0.921858 0.390969  0.845907 0.373875  
1 1 1 43 34 28 o 1.2742   0.363416  2.31955      0.971695 1.8611       1.3835   2.76586      1.36506  1.06837  0.427616  1.27905  0.440266  
1 1 1 43 34 29 o 0.763958 0.332703  0.622705     0.951909 2.09493      1.37639  -0.7271      1.31792  1.04209  0.422595  0.65951  0.319713  
1 1 1 43 34 30 o 1.1446   0.385699  2.31994      1.04668  3.0856       1.38833  1.31165      1.59319  1.20396  0.441003  0.867679 0.398751  
1 1 1 43 34 31 o 0.672571 0.313857  0.308101     1.03581  0.659216     1.51329  -0.00140016  1.42079  0.744053 0.356564  0.681066 0.330723  
1 1 1 43 35 0  o 5.58835  0.104175  31.3335      1.16342  31.3335      1.16342  31.3335      1.16342  5.59297  0.0735732 ?        ?         
1 1 1 43 35 1  o 1.14329  0.224473  1.37841      0.494981 1.33171      0.705034 1.42379      0.695089 1.11381  0.306859  1.1501   0.299333  
1 1 1 43 35 2  o 3.43288  0.0850555 11.8214      0.583971 12.1158      0.770057 11.423       0.895866 3.47152  0.110911  3.3669   0.13304   
1 1 1 43 35 3  f 3.60757  0.0964525 13.0683      0.695917 12.2969      1.00636  13.7752      0.963396 3.49057  0.144154  3.69755  0.130275  
1 1 1 43 35 4  o 1.76398  0.175057  3.15584      0.617594 3.29054      1.00751  3.07476      0.781677 1.7813   0.282801  1.73321  0.2255    
1 1 1 43 35 5  o 4.28499  0.1018    18.4546      0.872426 17.718       1.21197  19.2468      1.25685  4.18796  0.144697  4.36512  0.143965  
1 1 1 43 35 6  o 3.02027  0.130167  9.19927      0.786276 10.1333      1.08816  8.17876      1.1374   3.16009  0.172172  2.83161  0.20084   
1 1 1 43 35 7  o 0.668518 0.288328  -0.0230001   0.701935 -0.147434    0.947347 0.128475     1.04523  0.748951 0.328978  0.838564 0.356441  
1 1 1 43 35 8  o 0.668319 0.28791   -0.0152031   0.698359 -1.24164     0.983288 1.23313      0.992026 0.603992 0.288956  1.09999  0.375494  
1 1 1 43 35 9  o 4.34776  0.107177  19.0215      0.931962 18.2782      1.28874  19.8363      1.34934  4.24864  0.151665  4.42573  0.152442  
1 1 1 43 35 10 o 3.21479  0.129889  10.4347      0.835133 8.65744      1.19906  12.109       1.16384  2.90705  0.206233  3.45174  0.168587  
1 1 1 43 35 11 o 1.96629  0.207276  3.96384      0.815127 4.14115      1.18245  3.80328      1.12521  1.98384  0.298021  1.90188  0.295814  
1 1 1 43 35 12 o 4.41713  0.118546  19.6781      1.04727  18.5992      1.50048  20.703       1.46238  4.27246  0.175599  4.51387  0.161988  
1 1 1 43 35 13 o 2.23823  0.182214  5.11609      0.815673 5.00053      1.10013  5.25718      1.21557  2.19212  0.250928  2.2403   0.271296  
1 1 1 43 35 14 o 3.52573  0.128689  12.5716      0.907442 13.0182      1.23091  12.04        1.34304  3.57197  0.172302  3.42511  0.196058  
1 1 1 43 35 15 o 0.767187 0.313839  0.302692     0.766046 -0.0566019   1.08479  0.660089     1.08192  0.8055   0.352936  0.949921 0.378909  
1 1 1 43 35 16 o 1.48749  0.270211  2.39639      0.774216 2.36997      1.08085  2.42424      1.10953  1.43871  0.372712  1.45308  0.378182  
1 1 1 43 35 17 o 1.31921  0.314472  1.94292      0.819148 1.91899      1.17268  1.96572      1.14473  1.29282  0.407046  1.30686  0.40032   
1 1 1 43 35 18 o 1.97546  0.22227   4.07146      0.878171 4.80211      1.28405  3.42941      1.20369  2.10747  0.304643  1.73176  0.359541  
1 1 1 43 35 19 o 3.11865  0.158054  9.95633      0.985829 11.9101      1.36426  7.82129      1.42615  3.38669  0.201414  2.70925  0.2632    
1 1 1 43 35 20 o 1.12435  0.332517  1.45668      0.799251 0.237436     1.20601  2.41157      1.06728  0.873053 0.377254  1.42173  0.371328  
1 1 1 43 35 21 o 2.44293  0.1701    6.17919      0.831087 5.79453      1.2047   6.5285       1.14802  2.31352  0.260361  2.47527  0.231897  
1 1 1 43 35 22 o 0.775246 0.312029  0.443357     0.742508 -0.546857    1.03234  1.50462      1.06874  0.684906 0.317177  1.12316  0.389274  
1 1 1 43 35 23 o 2.23098  0.184988  5.23549      0.825409 7.26454      1.20473  3.44037      1.13316  2.59151  0.232439  1.68775  0.347596  
1 1 1 43 35 24 o 0.71905  0.314478  0.122947     0.857993 -0.313575    1.19656  0.584913     1.23094  0.749045 0.344793  0.895796 0.383969  
1 1 1 43 35 25 o 2.39654  0.186454  6.12792      0.893692 5.74068      1.28759  6.48789      1.24142  2.22349  0.289543  2.39734  0.258916  
1 1 1 43 35 26 o 0.736509 0.319405  0.296276     0.870441 -0.151103    1.24117  0.729268     1.22105  0.75529  0.349009  0.883588 0.380675  
1 1 1 43 35 27 o 0.719938 0.315707  0.288232     0.869477 -0.143479    1.25839  0.682614     1.20275  0.741392 0.345959  0.849682 0.371967  
1 1 1 43 35 28 o 0.901825 0.354811  1.1343       0.936726 0.777999     1.33482  1.48004      1.31487  0.855016 0.381685  0.970989 0.405566  
1 1 1 43 35 29 o 0.739036 0.332106  0.514244     1.02555  1.58153      1.36477  -0.870109    1.55433  0.921168 0.399724  0.676116 0.332591  
1 1 1 43 35 30 o 1.45285  0.359319  3.31903      1.03961  2.68734      1.43274  4.02144      1.51082  1.08635  0.435016  1.34863  0.463277  
1 1 1 43 36 0  o 5.88933  0.111273  34.8284      1.3096   34.8284      1.3096   34.8284      1.3096   5.89548  0.0785683 ?        ?         
1 1 1 43 36 1  o 2.41284  0.114428  5.85989      0.552191 5.91465      0.795819 5.80905      0.766821 2.41577  0.164713  2.39499  0.160089  
1 1 1 43 36 2  o 6.98345  0.0850807 48.9455      1.18831  49.5822      1.62915  48.2217      1.73709  7.01792  0.116071  6.91704  0.125566  
1 1 1 43 36 3  o 2.41306  0.132075  5.87395      0.637408 5.99237      0.973334 5.78503      0.84342  2.42354  0.200808  2.38659  0.1767    
1 1 1 43 36 4  o 4.54167  0.0997579 20.7306      0.906134 20.5431      1.43633  20.8546      1.16787  4.50359  0.159465  4.54777  0.1284    
1 1 1 43 36 5  o 1.56815  0.236025  2.52899      0.740246 2.47302      1.03261  2.58816      1.06173  1.49864  0.350427  1.53288  0.353325  
1 1 1 43 36 6  o 4.85578  0.100536  23.7045      0.976364 23.852       1.41331  23.5698      1.35041  4.8567   0.145501  4.82994  0.139795  
1 1 1 43 36 7  o 1.15249  0.320028  1.44754      0.763431 2.36056      1.05138  0.429238     1.11034  1.45699  0.361963  0.919137 0.377226  
1 1 1 43 36 8  o 1.72997  0.242756  3.09359      0.839921 1.26591      1.17597  4.99687      1.20005  1.13233  0.406742  2.18867  0.274151  
1 1 1 43 36 9  o 2.38017  0.172564  5.76369      0.821465 6.65893      1.12296  4.73321      1.2048   2.54452  0.220664  2.12626  0.283315  
1 1 1 43 36 10 o 2.75773  0.158979  7.72042      0.876839 7.93659      1.29491  7.53736      1.1916   2.77201  0.233568  2.7062   0.220161  
1 1 1 43 36 11 o 2.50702  0.169211  6.39709      0.848429 5.36133      1.18082  7.50248      1.21986  2.26762  0.260364  2.69602  0.226233  
1 1 1 43 36 12 o 0.608245 0.27717   -0.413081    0.748866 -1.44364     1.01946  0.794711     1.10365  0.593481 0.286397  0.99239  0.386361  
1 1 1 43 36 13 o 2.6464   0.153686  7.11956      0.813427 7.27493      1.08742  6.92217      1.22566  2.6585   0.204519  2.58046  0.237489  
1 1 1 43 36 14 o 1.18353  0.320864  1.56028      0.778514 0.739178     1.0419   2.59819      1.17141  0.958276 0.374921  1.50213  0.387486  
1 1 1 43 36 15 o 1.42416  0.286192  2.21868      0.786482 3.66705      1.12666  0.842072     1.09839  1.85079  0.304372  0.994998 0.385837  
1 1 1 43 36 16 o 0.666046 0.296286  -0.199678    0.798035 -1.21393     1.14167  0.769386     1.11595  0.66273  0.315538  0.979668 0.386687  
1 1 1 43 36 17 o 1.7022   0.258232  3.06685      0.879124 2.67151      1.30023  3.39978      1.19319  1.49623  0.418361  1.72507  0.357834  
1 1 1 43 36 18 o 2.92143  0.157267  8.73321      0.91889  9.71822      1.30833  7.77432      1.29086  3.05228  0.21432   2.71719  0.237536  
1 1 1 43 36 19 o 0.8751   0.332351  0.706339     0.803272 0.579251     1.14416  0.829863     1.12801  0.923967 0.381633  0.974782 0.3875    
1 1 1 43 36 20 f 2.43611  0.170697  6.14464      0.831671 5.72003      1.20259  6.53386      1.1514   2.29854  0.2616    2.47659  0.232456  
1 1 1 43 36 21 o 1.24642  0.314002  1.81276      0.782929 1.45992      1.14333  2.12431      1.07434  1.11608  0.401043  1.31255  0.384675  
1 1 1 43 36 22 o 0.985582 0.339389  1.11869      0.81125  1.9204       1.15841  0.34707      1.13646  1.22748  0.405764  0.852826 0.367335  
1 1 1 43 36 23 o 1.46231  0.310937  2.55122      0.882091 2.77711      1.23855  2.3187       1.25658  1.43972  0.410189  1.30474  0.4225    
1 1 1 43 36 24 o 0.660123 0.300495  -0.211941    0.87519  -1.08168     1.2826   0.545863     1.19722  0.682918 0.327507  0.876279 0.377228  
1 1 1 43 36 25 o 0.73027  0.315021  0.280055     0.838215 0.318346     1.16507  0.238968     1.20686  0.813592 0.360381  0.809334 0.362067  
1 1 1 43 36 26 o 0.499622 0.246088  -1.36279     0.866421 -1.50154     1.23572  -1.22862     1.21515  0.60828  0.29836   0.62474  0.304131  
1 1 1 43 36 27 o 1.15549  0.358854  1.92603      0.915608 2.05343      1.27958  1.79236      1.31072  1.11491  0.420626  1.0527   0.417947  
1 1 1 43 36 28 o 0.772439 0.335515  0.685946     0.963315 0.724955     1.35908  0.646562     1.36561  0.812831 0.37134   0.803223 0.369148  
1 1 1 43 36 29 o 0.786992 0.343366  0.806754     1.01779  -0.597325    1.4387   2.21348      1.44005  0.675594 0.329251  1.01516  0.424252  
1 1 1 43 36 30 o 0.957318 0.378621  1.99132      1.07186  2.20235      1.55901  1.80214      1.47606  0.880914 0.401018  0.842278 0.385707  
1 1 1 43 37 0  o 1.13653  0.378942  1.69752      0.765102 1.69752      0.765102 1.69752      0.765102 1.22661  0.24922   ?        ?         
1 1 1 43 37 1  o 2.01605  0.134054  4.10311      0.540517 3.77242      0.777981 4.41169      0.751518 1.92148  0.202443  2.08248  0.180438  
1 1 1 43 37 2  o 0.819159 0.268615  0.675875     0.507665 0.401167     0.654058 1.09217      0.805159 0.761363 0.297222  1.02746  0.338285  
1 1 1 43 37 3  o 4.61784  0.0927351 21.4241      0.856471 21.0299      1.28239  21.7414      1.15074  4.56134  0.140572  4.64337  0.123912  
1 1 1 43 37 4  o 1.22847  0.315179  1.65132      0.778133 1.16183      1.12856  2.0949       1.07433  1.09862  0.398079  1.37026  0.379357  
1 1 1 43 37 5  o 5.25614  0.104702  27.7994      1.10066  30.1024      1.59943  25.7277      1.51698  5.45314  0.146652  5.03971  0.150502  
1 1 1 43 37 6  o 0.461387 0.228969  -1.84577     0.802788 -2.15607     1.0864   -1.47253     1.19149  0.559358 0.27551   0.662671 0.317281  
1 1 1 43 37 7  o 0.442739 0.220479  -1.93109     0.777403 -1.06881     1.02515  -3.09805     1.19258  0.639724 0.302003  0.534997 0.26735   
1 1 1 43 37 8  o 3.02496  0.149304  9.27278      0.90328  9.49309      1.28066  9.05468      1.27423  3.04076  0.210582  2.96821  0.214646  
1 1 1 43 37 9  o 3.12278  0.143044  9.87496      0.893389 10.455       1.31735  9.38103      1.21565  3.19132  0.206396  3.02502  0.200933  
1 1 1 43 37 10 o 2.7042   0.152034  7.42127      0.822258 6.79176      1.14138  8.10046      1.18557  2.56534  0.222463  2.80589  0.211265  
1 1 1 43 37 11 o 1.36302  0.289484  2.02907      0.765338 2.95295      1.04691  0.968553     1.12165  1.63402  0.331898  1.03787  0.393151  
1 1 1 43 37 12 o 3.1815   0.134011  10.2541      0.852714 11.5179      1.16299  8.78486      1.25398  3.3575   0.173193  2.91547  0.215056  
1 1 1 43 37 13 o 1.97109  0.205954  4.00904      0.811908 3.45741      1.09813  4.67418      1.20583  1.76963  0.32219   2.09793  0.287386  
1 1 1 43 37 14 o 0.592861 0.274043  -0.537118    0.766049 -1.10243     1.06839  0.061028     1.09897  0.647747 0.306903  0.829895 0.359384  
1 1 1 43 37 15 o 1.50523  0.298786  2.49725      0.867516 3.07044      1.3079   2.04698      1.15922  1.61896  0.404634  1.32919  0.401987  
1 1 1 43 37 16 o 3.25992  0.144946  10.8231      0.945025 9.16683      1.34395  12.4429      1.3291   2.96157  0.226898  3.47213  0.191396  
1 1 1 43 37 17 o 3.17224  0.150863  10.2791      0.957147 8.96864      1.40321  11.4193      1.30893  2.91634  0.240576  3.31903  0.197185  
1 1 1 43 37 18 o 2.96633  0.154418  9.02649      0.916113 9.06196      1.305    8.99203      1.28636  2.93263  0.222496  2.92292  0.220047  
1 1 1 43 37 19 o 1.47909  0.288257  2.46646      0.822293 1.84575      1.16712  3.07828      1.15872  1.23135  0.407286  1.60385  0.36872   
1 1 1 43 37 20 o 2.31584  0.186748  5.60167      0.864957 5.07352      1.22016  6.13518      1.22633  2.14408  0.284541  2.3778   0.257871  
1 1 1 43 37 21 o 2.02563  0.214933  4.37472      0.870751 4.31833      1.18806  4.44018      1.27992  1.95282  0.30419   1.96323  0.325975  
1 1 1 43 37 22 f 0.845337 0.333761  0.670808     0.831596 0.18102      1.15427  1.1994       1.19912  0.818139 0.36102   1.02537  0.402002  
1 1 1 43 37 23 o 1.18364  0.336696  1.75976      0.83513  2.04518      1.21239  1.50206      1.15202  1.21963  0.41511   1.07979  0.400788  
1 1 1 43 37 24 o 0.757755 0.319902  0.388042     0.832436 0.743686     1.19492  0.0526961    1.16032  0.900886 0.381946  0.77789  0.351203  
1 1 1 43 37 25 o 0.740778 0.317207  0.385202     0.838634 0.48308      1.17634  0.284038     1.19592  0.82528  0.364276  0.796902 0.358342  
1 1 1 43 37 26 o 1.38543  0.350584  2.65075      0.972718 3.82416      1.33283  1.31349      1.42284  1.58383  0.415558  0.966941 0.413584  
1 1 1 43 37 27 o 0.807567 0.33789   0.823374     0.915088 2.88224      1.33386  -1.00722     1.25775  1.24268  0.434484  0.627295 0.306095  
1 1 1 43 37 28 o 1.34565  0.364652  2.89723      1.00578  3.29161      1.37263  2.43998      1.47798  1.25648  0.440615  1.03939  0.431793  
1 1 1 43 37 29 o 0.783683 0.342564  0.893217     1.01698  1.78419      1.44973  0.0299688    1.427    0.908487 0.402261  0.707512 0.340788  
1 1 1 43 38 0  o 1.89206  0.217931  3.76654      0.799808 3.76654      0.799808 3.76654      0.799808 1.91747  0.149566  ?        ?         
1 1 1 43 38 1  o 1.08558  0.252541  1.26796      0.538469 0.772822     0.777892 1.72348      0.746122 0.914272 0.330573  1.25645  0.300519  
1 1 1 43 38 2  o 2.9595   0.101938  8.81143      0.603373 8.56029      0.823438 9.10262      0.886663 2.9089   0.141538  2.99805  0.147873  
1 1 1 43 38 3  o 5.8009   0.101696  33.8536      1.17986  34.571       1.58281  32.9565      1.76997  5.84848  0.135318  5.70074  0.155241  
1 1 1 43 38 4  o 4.91214  0.113089  24.3108      1.11102  24.9802      1.56662  23.6335      1.57585  4.96171  0.157872  4.82365  0.163346  
1 1 1 43 38 5  o 1.92032  0.20862   3.78348      0.801235 3.45614      1.09676  4.15814      1.17335  1.78255  0.319182  1.98797  0.295114  
1 1 1 43 38 6  o 1.38011  0.295223  2.0746       0.791165 2.19393      1.10613  1.9496       1.13207  1.39527  0.38434   1.31947  0.396892  
1 1 1 43 38 7  o 1.13602  0.332732  1.41192      0.804038 -0.0165141   1.1739   2.6742       1.10352  0.848636 0.369522  1.54468  0.362952  
1 1 1 43 38 8  o 2.87232  0.150722  8.37072      0.865844 8.47379      1.20709  8.26148      1.24266  2.87017  0.210282  2.83045  0.219517  
1 1 1 43 38 9  o 2.60523  0.158338  6.90102      0.825017 6.59176      1.14059  7.24038      1.1948   2.52466  0.225889  2.64601  0.225774  
1 1 1 43 38 10 o 2.34094  0.167243  5.58867      0.78301  5.48207      1.08128  5.7062       1.13539  2.29678  0.23539   2.34053  0.24255   
1 1 1 43 38 11 o 0.718165 0.306863  0.0757006    0.781871 -0.0667669   1.03509  0.264995     1.19314  0.78618  0.344612  0.897922 0.381224  
1 1 1 43 38 12 o 1.65448  0.247237  2.86386      0.818097 1.49924      1.1079   4.50017      1.21318  1.17157  0.396818  2.05465  0.295229  
1 1 1 43 38 13 o 2.15544  0.191054  4.77613      0.823611 4.4729       1.18665  5.05797      1.14404  2.04994  0.289435  2.19236  0.260916  
1 1 1 43 38 14 o 1.23049  0.327716  1.70758      0.821149 2.6552       1.20849  0.894799     1.11921  1.50638  0.395913  1.00694  0.389681  
1 1 1 43 38 15 o 2.21212  0.206262  5.07663      0.912553 4.78332      1.33601  5.33316      1.24942  2.09538  0.3188    2.23376  0.279668  
1 1 1 43 38 16 o 1.43104  0.298958  2.29003      0.827797 3.41475      1.20015  1.26937      1.14328  1.71974  0.360492  1.0954   0.400296  
1 1 1 43 38 17 o 1.19558  0.330354  1.65374      0.815671 1.8814       1.14493  1.41911      1.16233  1.25265  0.403062  1.12466  0.404338  
1 1 1 43 38 18 o 1.10543  0.333757  1.42112      0.799546 -0.642052    1.13859  3.4283       1.12303  0.714216 0.33165   1.71691  0.339121  
1 1 1 43 38 19 o 2.17878  0.199996  4.98776      0.871493 6.42344      1.2594   3.66863      1.20721  2.43292  0.258826  1.75865  0.355653  
1 1 1 43 38 20 f 0.688503 0.304701  -0.0496818   0.830362 -0.163294    1.11335  0.0927354    1.24652  0.763663 0.344441  0.84105  0.372626  
1 1 1 43 38 21 o 0.92206  0.343701  0.925841     0.849003 1.24231      1.17047  0.574469     1.23333  1.03577  0.398989  0.905901 0.386189  
1 1 1 43 38 22 o 1.09631  0.344768  1.51141      0.841619 0.169099     1.22881  2.69742      1.15506  0.823186 0.366881  1.4228   0.393112  
1 1 1 43 38 23 o 0.586309 0.274679  -0.513517    0.808456 -2.51201     1.1395   1.51206      1.1472   0.523714 0.261658  1.07336  0.39964   
1 1 1 43 38 24 o 0.613651 0.285969  -0.374179    0.856189 -0.245789    1.20545  -0.504891    1.2163   0.732114 0.340456  0.703786 0.331279  
1 1 1 43 38 25 o 0.7666   0.329987  0.476682     0.91601  -0.561986    1.26166  1.63452      1.33207  0.695118 0.331295  1.03021  0.416575  
1 1 1 43 38 26 o 0.610395 0.28693   -0.379741    0.906446 0.0829348    1.27546  -0.851899    1.28846  0.755465 0.350886  0.660204 0.319248  
1 1 1 43 38 27 o 0.579265 0.277783  -0.510689    0.922388 -1.0403      1.28469  0.0528203    1.32516  0.617665 0.303364  0.721637 0.341859  
1 1 1 43 38 28 o 0.691431 0.317193  0.253481     1.00319  -1.01888     1.38857  1.64268      1.45093  0.633457 0.312015  0.915577 0.404293  
1 1 1 43 38 29 o 0.672993 0.312729  0.432739     1.01467  2.8048       1.45505  -1.81268     1.41568  0.985434 0.419762  0.553236 0.278882  
1 1 1 43 39 0  f 0.801118 0.409107  0.996976     0.818352 0.996976     0.818352 0.996976     0.818352 0.828547 0.348727  ?        ?         
1 1 1 43 39 1  f 7.30976  0.0908206 53.7016      1.32775  54.3439      1.8735   53.0536      1.88199  7.33515  0.127707  7.24632  0.129858  
1 1 1 43 39 2  o 2.60382  0.114677  6.8346       0.597196 7.07635      0.797346 6.52572      0.9013   2.6416   0.150921  2.52984  0.178134  
1 1 1 43 39 3  o 6.38995  0.0984315 41.0762      1.25794  42.1243      1.73488  39.9143      1.82667  6.45399  0.134403  6.27639  0.145519  
1 1 1 43 39 4  o 3.08991  0.149102  9.68062      0.921425 11.1106      1.31614  8.30598      1.29042  3.29182  0.199911  2.83586  0.227518  
1 1 1 43 39 5  o 2.99983  0.145688  9.12118      0.87408  9.9577       1.30351  8.43772      1.17823  3.11186  0.209442  2.86598  0.205555  
1 1 1 43 39 6  o 2.2993   0.177502  5.39609      0.81626  6.15663      1.14396  4.60725      1.16506  2.43741  0.234668  2.0937   0.278229  
1 1 1 43 39 7  o 2.21056  0.185674  5.00082      0.820886 4.18402      1.1985   5.72261      1.12665  1.98504  0.301883  2.34676  0.240043  
1 1 1 43 39 8  o 1.40584  0.293067  2.16452      0.796953 2.64052      1.11153  1.66097      1.14326  1.52539  0.368037  1.22479  0.403101  
1 1 1 43 39 9  o 1.08918  0.331506  1.30482      0.786687 1.86832      1.14801  0.805955     1.08017  1.28212  0.402556  0.983636 0.382378  
1 1 1 43 39 10 o 1.94982  0.208315  3.92608      0.812355 3.60002      1.11996  4.28809      1.18008  1.83409  0.305319  2.00647  0.294069  
1 1 1 43 39 11 o 2.43525  0.177344  6.07268      0.863755 7.43573      1.20734  4.6436       1.23624  2.67534  0.225643  2.0861   0.296304  
1 1 1 43 39 12 o 2.02948  0.202008  4.25048      0.819943 4.55813      1.2001   3.98115      1.1229   2.06781  0.290187  1.93236  0.29055   
1 1 1 43 39 13 o 0.952157 0.341207  0.907205     0.827111 1.31493      1.23606  0.576613     1.11302  1.12647  0.415741  0.930647 0.379098  
1 1 1 43 39 14 o 1.81338  0.237747  3.45246      0.862251 3.08662      1.19045  3.8562       1.25058  1.63271  0.372634  1.84301  0.35188   
1 1 1 43 39 15 o 0.579968 0.274068  -0.845765    0.847005 -0.672832    1.19806  -1.01857     1.19763  0.740268 0.342383  0.697941 0.328586  
1 1 1 43 39 16 o 0.642931 0.291626  -0.301389    0.809301 -0.227345    1.16258  -0.371007    1.12729  0.784109 0.35291   0.751525 0.341818  
1 1 1 43 39 17 o 0.762795 0.318453  0.295812     0.81008  -0.312188    1.17881  0.839859     1.11509  0.772082 0.350734  0.966545 0.384945  
1 1 1 43 39 18 o 1.10728  0.345236  1.44252      0.846323 1.462        1.18677  1.42236      1.20726  1.12129  0.408026  1.11246  0.41081   
1 1 1 43 39 19 o 1.63177  0.268901  2.93212      0.877572 2.58001      1.19861  3.33896      1.28839  1.42303  0.402911  1.62805  0.398391  
1 1 1 43 39 20 o 0.763148 0.3221    0.317202     0.843576 0.609393     1.17212  0.00322961   1.21503  0.902195 0.380179  0.808342 0.362413  
1 1 1 43 39 21 o 1.03702  0.343774  1.33187      0.8315   1.65173      1.19339  1.03008      1.15919  1.1201   0.409009  0.970657 0.390207  
1 1 1 43 39 22 o 0.795805 0.324717  0.542435     0.817981 1.20377      1.15919  -0.113482    1.15443  1.0011   0.394436  0.758119 0.345108  
1 1 1 43 39 23 o 1.85793  0.238772  3.90518      0.887242 3.17944      1.23493  4.67945      1.27555  1.49261  0.403877  1.90465  0.347762  
1 1 1 43 39 24 o 1.20873  0.345734  2.01472      0.878227 2.72122      1.21597  1.2443       1.26978  1.32312  0.414075  0.957534 0.399159  
1 1 1 43 39 25 o 0.626375 0.293532  -0.342052    0.925591 -0.561793    1.28258  -0.103236    1.33709  0.693672 0.331417  0.752936 0.352833  
1 1 1 43 39 26 o 0.618222 0.290215  -0.214979    0.919246 0.435751     1.35074  -0.776363    1.25459  0.775679 0.36059   0.637958 0.3101    
1 1 1 43 39 27 o 0.715973 0.319941  0.456561     0.940007 1.17067      1.28566  -0.363656    1.37787  0.853894 0.378359  0.684072 0.330677  
1 1 1 43 39 28 o 0.526103 0.259112  -0.945731    0.969831 -0.154406    1.38041  -1.71706     1.36286  0.662058 0.322629  0.557697 0.279919  
1 1 1 43 40 0  o 2.17139  0.198033  4.89012      0.843565 4.89012      0.843565 4.89012      0.843565 2.19189  0.137302  ?        ?         
1 1 1 43 40 1  o 0.444117 0.213249  -0.757777    0.547995 -1.08981     0.768501 -0.414304    0.78163  0.518979 0.250005  0.623355 0.283817  
1 1 1 43 40 2  o 3.89079  0.0926336 15.2246      0.720835 14.148       1.01264  16.3304      1.02632  3.73861  0.135431  4.01931  0.127674  
1 1 1 43 40 3  o 0.980969 0.322712  1.0074       0.732735 1.73737      1.20569  0.579914     0.922674 1.2537   0.413961  0.891929 0.351751  
1 1 1 43 40 4  o 1.28298  0.334588  1.83673      0.867357 0.924987     1.38838  2.42034      1.1108   1.08121  0.429872  1.45867  0.37782   
1 1 1 43 40 5  o 1.83882  0.216061  3.49299      0.794594 3.94662      1.17936  3.11589      1.07528  1.92376  0.306525  1.67718  0.332382  
1 1 1 43 40 6  o 2.7692   0.1516    7.79779      0.839621 6.97771      1.22114  8.53309      1.15631  2.58943  0.235794  2.87901  0.200818  
1 1 1 43 40 7  o 0.70462  0.304755  0.00229722   0.788397 -0.842743    1.15231  0.746011     1.08102  0.712293 0.331867  0.969311 0.381224  
1 1 1 43 40 8  o 2.32126  0.182931  5.5242       0.849261 5.93202      1.2233   5.14477      1.17995  2.37696  0.257323  2.2096   0.267005  
1 1 1 43 40 9  o 1.45055  0.285317  2.2986       0.798244 2.28949      1.11561  2.30816      1.14265  1.41011  0.384908  1.41391  0.391142  
1 1 1 43 40 10 o 0.785855 0.316781  0.376417     0.766941 -0.876849    1.09837  1.56883      1.07137  0.686132 0.321216  1.18816  0.390222  
1 1 1 43 40 11 o 0.950375 0.331766  0.923196     0.777471 0.363676     1.08778  1.50751      1.11162  0.881295 0.368545  1.16796  0.397485  
1 1 1 43 40 12 o 5.20766  0.113731  27.4275      1.18454  26.4717      1.65265  28.4372      1.69869  5.0866   0.162451  5.27307  0.161073  
1 1 1 43 40 13 o 0.660677 0.297987  -0.291953    0.833278 -0.618015    1.18242  0.0297449    1.17448  0.745269 0.342927  0.840556 0.367774  
1 1 1 43 40 14 o 1.91158  0.224447  3.84218      0.858093 4.24247      1.21802  3.44776      1.20908  1.96623  0.309737  1.72121  0.362599  
1 1 1 43 40 15 o 2.60259  0.173686  7.00417      0.904068 7.44134      1.28507  6.57575      1.27212  2.64061  0.243327  2.47318  0.257183  
1 1 1 43 40 16 o 0.818072 0.326215  0.525393     0.801698 0.813798     1.12995  0.233053     1.13763  0.962679 0.385978  0.847297 0.366268  
1 1 1 43 40 17 o 0.778468 0.322753  0.354448     0.823205 0.510739     1.16031  0.196048     1.16811  0.90105  0.378908  0.845127 0.368298  
1 1 1 43 40 18 o 1.16961  0.342416  1.64455      0.851706 2.15541      1.21788  1.15554      1.19155  1.2958   0.415578  1.03475  0.401739  
1 1 1 43 40 19 o 1.16561  0.33783   1.65852      0.833116 2.15048      1.18579  1.17895      1.17076  1.27926  0.410047  1.02354  0.398049  
1 1 1 43 40 20 o 1.38114  0.302151  2.28187      0.811687 2.86623      1.14909  1.69992      1.14672  1.4783   0.38492   1.13444  0.402233  
1 1 1 43 40 21 o 1.4504   0.302096  2.52826      0.847439 1.3749       1.22766  3.57805      1.17124  1.04492  0.407351  1.67658  0.359675  
1 1 1 43 40 22 o 0.774277 0.323697  0.487533     0.838776 0.881957     1.1792   0.0835952    1.19334  0.912427 0.382756  0.78016  0.353984  
1 1 1 43 40 23 o 2.09654  0.208216  4.8942       0.873069 5.48994      1.21576  4.25982      1.25456  2.12802  0.285656  1.76568  0.367419  
1 1 1 43 40 24 o 0.763498 0.329211  0.481931     0.91467  0.612317     1.26613  0.339612     1.32281  0.839491 0.373327  0.808744 0.368493  
1 1 1 43 40 25 o 0.521769 0.255258  -1.02866     0.891279 -2.05496     1.26259  -0.00926064  1.25834  0.552731 0.276052  0.718569 0.337864  
1 1 1 43 40 26 o 0.550345 0.266267  -0.670105    0.900903 -0.00462102  1.28365  -1.31608     1.2647   0.70021  0.333828  0.586888 0.29037   
1 1 1 43 40 27 o 0.824811 0.348858  1.09535      0.992968 -0.0179609   1.40608  2.20295      1.40247  0.70265  0.338406  0.98518  0.415538  
1 1 1 43 41 0  o 3.24794  0.144288  10.6919      0.933069 10.6919      0.933069 10.6919      0.933069 3.25899  0.101447  ?        ?         
1 1 1 43 41 1  o 5.39472  0.0865244 29.2646      0.933549 30.8106      1.38166  27.9658      1.26634  5.51889  0.125175  5.2602   0.12037   
1 1 1 43 41 2  o 2.6883   0.128517  7.3158       0.690982 6.95535      1.08343  7.56294      0.897119 2.59572  0.208695  2.72282  0.164741  
1 1 1 43 41 3  o 3.49367  0.129084  12.3576      0.901953 13.2881      1.36413  11.6348      1.20226  3.59747  0.189595  3.37132  0.178307  
1 1 1 43 41 4  o 1.77312  0.234327  3.27336      0.830979 3.60148      1.24703  3.01129      1.11447  1.78731  0.361495  1.63517  0.3509    
1 1 1 43 41 5  f 0.636326 0.2853    -0.255125    0.753031 -0.817181    1.07713  0.28219      1.05316  0.686415 0.320216  0.858558 0.361012  
1 1 1 43 41 6  f 1.19397  0.323193  1.59148      0.790617 2.82355      1.16696  0.546118     1.07491  1.56999  0.376038  0.920609 0.373404  
1 1 1 43 41 7  o 2.45676  0.170129  6.1692       0.835934 6.19696      1.17802  6.14105      1.1864   2.43545  0.241849  2.42316  0.244805  
1 1 1 43 41 8  o 4.03749  0.119009  16.4794      0.960997 16.7196      1.32476  16.2125      1.39616  4.04732  0.163659  3.97947  0.175421  
1 1 1 43 41 9  o 2.85351  0.151969  8.29743      0.86729  8.49827      1.19887  8.07691      1.25621  2.86403  0.209297  2.78431  0.225587  
1 1 1 43 41 10 f 3.67551  0.128171  13.7035      0.942186 13.9869      1.41244  13.4763      1.26468  3.68127  0.191841  3.62318  0.174525  
1 1 1 43 41 11 f 1.98421  0.211286  4.09231      0.838468 4.84889      1.21031  3.39412      1.16267  2.12712  0.284496  1.72826  0.348591  
1 1 1 43 41 12 o 1.53187  0.28833   2.59795      0.850947 1.38772      1.20155  3.81573      1.2053   1.13215  0.410699  1.83252  0.341586  
1 1 1 43 41 13 o 2.03176  0.217046  4.33441      0.88197  4.79544      1.2588   3.88987      1.2361   2.09186  0.300881  1.83656  0.349127  
1 1 1 43 41 14 o 1.16103  0.349593  1.57977      0.878021 0.703156     1.20844  2.56004      1.27789  0.958661 0.393507  1.43308  0.419386  
1 1 1 43 41 15 o 0.78254  0.327862  0.31191      0.863433 0.363806     1.15738  0.246776     1.29661  0.875661 0.373727  0.890176 0.387978  
1 1 1 43 41 16 o 1.19998  0.332986  1.70301      0.826787 0.846802     1.13505  2.67082      1.20675  0.965054 0.386882  1.46037  0.401075  
1 1 1 43 41 17 o 2.12241  0.210372  4.78726      0.892993 4.45592      1.28538  5.09639      1.24153  1.96736  0.326675  2.13313  0.291011  
1 1 1 43 41 18 o 0.905167 0.337338  0.878998     0.81778  0.134688     1.16094  1.61206      1.15214  0.815517 0.360678  1.13095  0.402962  
1 1 1 43 41 19 o 0.80872  0.324804  0.585021     0.802105 0.726033     1.12223  0.437752     1.14686  0.901936 0.37557   0.851095 0.367828  
1 1 1 43 41 20 o 0.650081 0.296513  -0.240052    0.861426 0.449234     1.21519  -0.936308    1.22132  0.861321 0.375498  0.678189 0.323873  
1 1 1 43 41 21 o 0.568688 0.269262  -0.639834    0.821146 0.319985     1.17219  -1.56471     1.15066  0.81483  0.361135  0.589773 0.288878  
1 1 1 43 41 22 o 0.755692 0.316718  0.491925     0.806174 1.05772      1.12516  -0.10496     1.15566  0.922774 0.379397  0.731112 0.33743   
1 1 1 43 41 23 o 0.99896  0.350901  1.39925      0.870879 1.81513      1.25381  1.01159      1.21054  1.06993  0.412782  0.904381 0.383982  
1 1 1 43 41 24 o 1.1878   0.349812  2.09255      0.886346 2.54501      1.26312  1.65365      1.24406  1.19152  0.422187  0.988147 0.401372  
1 1 1 43 41 25 o 0.657851 0.303123  0.101451     0.927662 -0.174472    1.36395  0.338946     1.26541  0.700958 0.336539  0.741378 0.346329  
1 1 1 43 41 26 o 0.836995 0.345582  1.08522      0.937651 0.489038     1.28665  1.76043      1.36928  0.754133 0.351097  0.934945 0.402964  
1 1 1 43 41 27 o 0.595273 0.285334  -0.147979    0.970534 -1.35342     1.39977  0.96803      1.34684  0.574123 0.287061  0.747889 0.351122  
1 1 1 43 42 0  o 0.921545 0.419712  1.30232      0.83308  1.30232      0.83308  1.30232      0.83308  0.992815 0.333229  ?        ?         
1 1 1 43 42 1  o 2.88963  0.112562  8.43042      0.650528 9.13107      0.919692 7.72886      0.920279 2.99501  0.153537  2.75094  0.167266  
1 1 1 43 42 2  o 3.53357  0.102328  12.5857      0.723165 12.2523      1.00721  12.9405      1.03895  3.47259  0.145023  3.56857  0.145569  
1 1 1 43 42 3  o 6.23104  0.105591  39.1566      1.31588  39.8857      1.89096  38.472       1.83231  6.26115  0.151008  6.15061  0.148953  
1 1 1 43 42 4  o 1.08071  0.352266  1.26878      0.873091 -0.482395    1.28265  2.78071      1.19182  0.804834 0.365677  1.55287  0.385136  
1 1 1 43 42 5  o 1.81834  0.226408  3.43705      0.823374 4.11574      1.24351  2.90719      1.09874  1.95377  0.318232  1.60357  0.352166  
1 1 1 43 42 6  o 3.38115  0.137803  11.6067      0.931866 11.3141      1.38095  11.8513      1.26269  3.30621  0.208841  3.39575  0.185923  
1 1 1 43 42 7  o 2.0479   0.209406  4.34966      0.857687 4.37821      1.25343  4.32452      1.17616  2.01158  0.311553  2.00808  0.292856  
1 1 1 43 42 8  o 2.12589  0.202662  4.68202      0.861672 3.48251      1.2741   5.69309      1.16975  1.7344   0.377805  2.32251  0.251829  
1 1 1 43 42 9  o 1.94269  0.21962   3.93474      0.853306 5.08444      1.20995  2.7971       1.20359  2.18189  0.277272  1.54366  0.389586  
1 1 1 43 42 10 o 1.78481  0.240887  3.3589       0.859874 3.44064      1.23529  3.28207      1.19767  1.72237  0.369272  1.6833   0.365975  
1 1 1 43 42 11 o 5.10698  0.129859  26.5335      1.32637  26.4005      1.74965  26.7133      2.03381  5.06142  0.172842  5.06517  0.200765  
1 1 1 43 42 12 o 1.40297  0.323609  2.26807      0.890147 1.67657      1.22287  2.93473      1.29823  1.19287  0.416114  1.54295  0.412575  
1 1 1 43 42 13 f 2.82675  0.174766  8.28118      0.988039 8.82039      1.41154  7.7632       1.38348  2.86856  0.246036  2.6823   0.25789   
1 1 1 43 42 14 o 1.70882  0.256712  3.15926      0.87735  3.84843      1.1981   2.36237      1.28833  1.81473  0.342615  1.36506  0.426023  
1 1 1 43 42 15 o 0.825816 0.331389  0.538876     0.833955 0.983894     1.16081  0.0641748    1.1989   0.998193 0.394261  0.829322 0.366687  
1 1 1 43 42 16 o 1.84959  0.222921  3.66692      0.824624 3.22277      1.1897   4.07762      1.14403  1.61458  0.375234  1.89878  0.301254  
1 1 1 43 42 17 o 0.961641 0.337821  1.06847      0.807181 0.665222     1.14612  1.46532      1.13699  0.907018 0.378734  1.09056  0.399129  
1 1 1 43 42 18 o 1.14207  0.336544  1.6277       0.82015  0.918191     1.16203  2.33196      1.15772  0.947224 0.386851  1.31299  0.402665  
1 1 1 43 42 19 o 0.78094  0.32729   0.434943     0.860856 0.513271     1.21122  0.354986     1.22375  0.871559 0.377357  0.847728 0.373125  
1 1 1 43 42 20 o 0.840368 0.333156  0.743388     0.831716 -1.64877     1.16483  3.23151      1.18796  0.588008 0.28882   1.54042  0.386018  
1 1 1 43 42 21 o 0.888436 0.335895  0.98189      0.817427 0.193696     1.14411  1.80377      1.1683   0.771985 0.348627  1.09834  0.404332  
1 1 1 43 42 22 o 0.782284 0.322967  0.62481      0.818849 0.459916     1.11281  0.819518     1.20924  0.797533 0.352872  0.871153 0.377114  
1 1 1 43 42 23 o 0.793192 0.331452  0.71282      0.878819 -0.423993    1.22383  1.9231       1.26276  0.683833 0.326005  1.0594   0.413104  
1 1 1 43 42 24 o 0.805103 0.330333  0.89649      0.851211 1.38068      1.20242  0.410089     1.20517  0.900678 0.382559  0.748786 0.345205  
1 1 1 43 42 25 o 1.13519  0.372042  2.16308      0.973871 1.74243      1.37437  2.58729      1.38018  0.945625 0.405538  1.10556  0.431724  
1 1 1 43 42 26 o 0.532342 0.262126  -0.805568    0.969509 -1.31375     1.3644   -0.287299    1.37788  0.572818 0.286209  0.641345 0.314731  
1 1 1 43 43 0  o 0.613825 0.401346  0.0680868    1.1721   0.0680868    1.1721   0.0680868    1.1721   0.525848 0.341256  ?        ?         
1 1 1 43 43 1  o 3.83424  0.129972  14.853       0.994094 14.853       0.994094 14.853       0.994094 3.84414  0.0915461 ?        ?         
1 1 1 43 43 2  o 5.35621  0.142015  28.9882      1.51891  28.9882      1.51891  28.9882      1.51891  5.3702   0.100077  ?        ?         
1 1 1 43 43 3  f 1.23945  0.513156  2.32697      1.25811  2.32697      1.25811  2.32697      1.25811  1.36576  0.377091  ?        ?         
1 1 1 43 43 4  o 0.812448 0.492671  0.881588     1.45115  0.881588     1.45115  0.881588     1.45115  0.763708 0.435459  ?        ?         
1 1 1 43 43 5  o 3.10055  0.228105  9.98234      1.3969   9.98234      1.3969   9.98234      1.3969   3.13055  0.158692  ?        ?         
1 1 1 43 43 6  o 4.43779  0.17015   20.03        1.50513  20.03        1.50513  20.03        1.50513  4.45672  0.119598  ?        ?         
1 1 1 43 43 7  o 0.496591 0.348015  -0.935003    1.22765  -0.935003    1.22765  -0.935003    1.22765  0.391623 0.278854  ?        ?         
1 1 1 43 43 8  o 0.630428 0.410887  0.132171     1.21699  0.132171     1.21699  0.132171     1.21699  0.545235 0.351681  ?        ?         
1 1 1 43 43 9  o 0.596615 0.397949  -0.105855    1.23946  -0.105855    1.23946  -0.105855    1.23946  0.503471 0.335523  ?        ?         
1 1 1 43 43 10 o 2.66855  0.27284   7.61876      1.42129  7.61876      1.42129  7.61876      1.42129  2.71581  0.187066  ?        ?         
1 1 1 43 43 11 o 2.79797  0.251563  8.29481      1.38156  8.29481      1.38156  8.29481      1.38156  2.84004  0.173472  ?        ?         
1 1 1 43 43 12 o 0.954861 0.504648  1.57493      1.27435  1.57493      1.27435  1.57493      1.27435  1.00739  0.436465  ?        ?         
1 1 1 43 43 13 o 3.55624  0.201954  13.0901      1.4258   13.0901      1.4258   13.0901      1.4258   3.58739  0.141014  ?        ?         
1 1 1 43 43 14 o 0.996277 0.491382  1.69476      1.16176  1.69476      1.16176  1.69476      1.16176  1.08178  0.407466  ?        ?         
1 1 1 43 43 15 o 1.40596  0.456185  2.74978      1.1305   2.74978      1.1305   2.74978      1.1305   1.54872  0.287666  ?        ?         
1 1 1 43 43 16 o 0.631584 0.408767  0.307656     1.17749  0.307656     1.17749  0.307656     1.17749  0.56357  0.355752  ?        ?         
1 1 1 43 43 17 o 1.0129   0.497861  1.84018      1.19098  1.84018      1.19098  1.84018      1.19098  1.12313  0.408763  ?        ?         
1 1 1 43 43 18 o 0.718712 0.437146  0.814742     1.15019  0.814742     1.15019  0.814742     1.15019  0.695558 0.390957  ?        ?         
1 1 1 43 43 19 o 0.571273 0.38296   0.0131419    1.18125  0.0131419    1.18125  0.0131419    1.18125  0.494665 0.329129  ?        ?         
1 1 1 43 43 20 o 1.10649  0.496399  2.2004       1.16452  2.2004       1.16452  2.2004       1.16452  1.27377  0.3726    ?        ?         
1 1 1 43 43 21 o 0.43339  0.309854  -0.970509    1.10297  -0.970509    1.10297  -0.970509    1.10297  0.345423 0.249448  ?        ?         
1 1 1 43 43 22 o 0.568429 0.382497  0.125692     1.19886  0.125692     1.19886  0.125692     1.19886  0.504238 0.334145  ?        ?         
1 1 1 43 43 23 o 0.458312 0.328832  -0.93016     1.27295  -0.93016     1.27295  -0.93016     1.27295  0.3753   0.270615  ?        ?         
1 1 1 43 43 24 o 0.567277 0.382049  0.282056     1.20069  0.282056     1.20069  0.282056     1.20069  0.517857 0.339807  ?        ?         
1 1 1 43 43 25 o 1.16632  0.552527  3.25208      1.45171  3.25208      1.45171  3.25208      1.45171  1.48034  0.401833  ?        ?         
1 1 1 44 0  0  o 51.081   0.745279  2630.72      76.1026  2630.72      76.1026  2630.72      76.1026  51.1852  0.525792  ?        ?         
1 1 1 44 0  1  o 18.8567  0.189397  355.857      7.14116  355.857      7.14116  355.857      7.14116  18.8604  0.133882  ?        ?         
1 1 1 44 0  2  o 32.4723  0.319084  1056.24      20.7183  1056.24      20.7183  1056.24      20.7183  32.486   0.225506  ?        ?         
1 1 1 44 0  3  o 14.7775  0.151873  218.514      4.48752  218.514      4.48752  218.514      4.48752  14.7798  0.10736   ?        ?         
1 1 1 44 0  4  o 21.384   0.208515  457.691      8.91582  457.691      8.91582  457.691      8.91582  21.3888  0.147393  ?        ?         
1 1 1 44 0  5  o 11.1484  0.125254  124.363      2.79196  124.363      2.79196  124.363      2.79196  11.1501  0.0885415 ?        ?         
1 1 1 44 0  6  o 33.7196  0.347881  1139.51      23.4552  1139.51      23.4552  1139.51      23.4552  33.7381  0.245824  ?        ?         
1 1 1 44 0  7  o 7.89127  0.106029  62.3174      1.67272  62.3174      1.67272  62.3174      1.67272  7.8927   0.0749447 ?        ?         
1 1 1 44 0  8  o 4.51798  0.116282  20.4576      1.04914  20.4576      1.04914  20.4576      1.04914  4.5205   0.0821159 ?        ?         
1 1 1 44 0  9  o 12.3941  0.134277  153.724      3.32762  153.724      3.32762  153.724      3.32762  12.3963  0.094919  ?        ?         
1 1 1 44 0  10 o 9.93175  0.122088  98.7174      2.42426  98.7174      2.42426  98.7174      2.42426  9.9337   0.0862974 ?        ?         
1 1 1 44 0  11 o 8.31177  0.116303  69.149       1.93251  69.149       1.93251  69.149       1.93251  8.31368  0.0822014 ?        ?         
1 1 1 44 0  12 o 0.492711 0.330772  -0.283651    0.887079 -0.283651    0.887079 -0.283651    0.887079 0.399244 0.271349  ?        ?         
1 1 1 44 0  13 o 1.57462  0.322442  2.77565      0.897411 2.77565      0.897411 2.77565      0.897411 1.62864  0.201801  ?        ?         
1 1 1 44 0  14 o 8.53792  0.109021  72.9605      1.86094  72.9605      1.86094  72.9605      1.86094  8.5398   0.0770582 ?        ?         
1 1 1 44 0  15 o 7.43141  0.111283  55.2889      1.65315  55.2889      1.65315  55.2889      1.65315  7.43352  0.0786469 ?        ?         
1 1 1 44 0  16 o 4.56837  0.12548   20.9319      1.14452  20.9319      1.14452  20.9319      1.14452  4.57176  0.0885854 ?        ?         
1 1 1 44 0  17 o 7.40954  0.113694  54.9775      1.68394  54.9775      1.68394  54.9775      1.68394  7.41212  0.0803441 ?        ?         
1 1 1 44 0  18 o 2.1611   0.209148  4.8117       0.884535 4.8117       0.884535 4.8117       0.884535 2.17787  0.145072  ?        ?         
1 1 1 44 0  19 o 2.74852  0.161672  7.64572      0.881679 7.64572      0.881679 7.64572      0.881679 2.75691  0.113506  ?        ?         
1 1 1 44 0  20 o 2.87214  0.160895  8.34245      0.917592 8.34245      0.917592 8.34245      0.917592 2.88031  0.113028  ?        ?         
1 1 1 44 0  21 o 0.769018 0.412777  0.867964     0.862941 0.867964     0.862941 0.867964     0.862941 0.765228 0.358617  ?        ?         
1 1 1 44 0  22 o 1.40849  0.371746  2.37287      0.902615 2.37287      0.902615 2.37287      0.902615 1.48564  0.231586  ?        ?         
1 1 1 44 0  23 o 3.44675  0.149928  11.9763      1.02908  11.9763      1.02908  11.9763      1.02908  3.45377  0.105567  ?        ?         
1 1 1 44 0  24 o 0.573033 0.369185  0.086768     0.944229 0.086768     0.944229 0.086768     0.944229 0.489303 0.313449  ?        ?         
1 1 1 44 0  25 f 5.46407  0.135364  29.9911      1.47723  29.9911      1.47723  29.9911      1.47723  5.47027  0.0955416 ?        ?         
1 1 1 44 0  26 o 11.6781  0.151356  136.966      3.53378  136.966      3.53378  136.966      3.53378  11.6906  0.106891  ?        ?         
1 1 1 44 0  27 o 5.12471  0.158598  26.4558      1.62201  26.4558      1.62201  26.4558      1.62201  5.13408  0.111818  ?        ?         
1 1 1 44 0  28 o 4.80814  0.155591  23.3016      1.49266  23.3016      1.49266  23.3016      1.49266  4.81766  0.10967   ?        ?         
1 1 1 44 0  29 o 3.80981  0.16784   14.6995      1.27322  14.6995      1.27322  14.6995      1.27322  3.82203  0.118033  ?        ?         
1 1 1 44 0  30 o 2.05419  0.314447  4.60559      1.20106  4.60559      1.20106  4.60559      1.20106  2.1045   0.206329  ?        ?         
1 1 1 44 0  31 o 4.12748  0.165817  17.2609      1.3638   17.2609      1.3638   17.2609      1.3638   4.14105  0.116647  ?        ?         
1 1 1 44 0  32 o 1.26239  0.490754  2.30591      1.1751   2.30591      1.1751   2.30591      1.1751   1.38496  0.347211  ?        ?         
1 1 1 44 0  33 o 1.17065  0.505578  2.09767      1.20985  2.09767      1.20985  2.09767      1.20985  1.28133  0.383861  ?        ?         
1 1 1 44 0  34 o 2.34021  0.286408  5.90409      1.29517  5.90409      1.29517  5.90409      1.29517  2.38707  0.194815  ?        ?         
1 1 1 44 0  35 f 1.00936  0.505124  1.72392      1.23463  1.72392      1.23463  1.72392      1.23463  1.08508  0.423278  ?        ?         
1 1 1 44 0  36 o 2.60924  0.25541   7.28024      1.30354  7.28024      1.30354  7.28024      1.30354  2.65493  0.175345  ?        ?         
1 1 1 44 0  37 o 0.852708 0.480581  1.29325      1.23318  1.29325      1.23318  1.29325      1.23318  0.876933 0.426803  ?        ?         
1 1 1 44 0  38 o 0.527647 0.369131  -0.74418     1.3691   -0.74418     1.3691   -0.74418     1.3691   0.430582 0.303827  ?        ?         
1 1 1 44 0  39 o 0.483699 0.34635   -1.16916     1.39279  -1.16916     1.39279  -1.16916     1.39279  0.38867  0.28063   ?        ?         
1 1 1 44 0  40 o 0.516501 0.374231  -1.83602     1.88711  -1.83602     1.88711  -1.83602     1.88711  0.419682 0.306322  ?        ?         
1 1 1 44 0  41 o 0.471359 0.346241  -2.20413     1.82841  -2.20413     1.82841  -2.20413     1.82841  0.381883 0.281878  ?        ?         
1 1 1 44 1  0  o 13.9981  0.149523  196.076      4.18499  196.076      4.18499  196.076      4.18499  14.0004  0.105698  ?        ?         
1 1 1 44 1  1  o 28.4942  0.200759  812.861      11.4409  814.17       16.8076  811.73       15.6176  28.4978  0.294894  28.4598  0.27438   
1 1 1 44 1  2  o 12.2011  0.0981289 148.908      2.39456  144.666      3.45892  152.812      3.31828  12.0241  0.143833  12.3584  0.134252  
1 1 1 44 1  3  o 5.20373  0.0725118 27.0831      0.754664 25.8778      1.06413  28.3026      1.07041  5.08619  0.10461   5.31921  0.100617  
1 1 1 44 1  4  o 23.5903  0.170972  556.997      8.06656  556.798      11.2689  557.207      11.552   23.576   0.238991  23.5836  0.244917  
1 1 1 44 1  5  f 4.27417  0.0784459 18.2721      0.670583 18.3223      0.926872 18.217       0.971388 4.27966  0.108288  4.26727  0.113819  
1 1 1 44 1  6  o 12.1676  0.111499  148.112      2.71335  147.784      3.59433  148.547      4.13719  12.1522  0.147888  12.1821  0.169806  
1 1 1 44 1  7  o 4.89334  0.0779117 23.95        0.762497 23.8909      1.11832  24.0014      1.04235  4.88668  0.114426  4.89812  0.106403  
1 1 1 44 1  8  o 16.9602  0.124117  287.823      4.2101   289.119      5.89597  286.476      6.01374  16.9933  0.173479  16.915   0.177764  
1 1 1 44 1  9  o 10.5779  0.0831785 111.926      1.75971  112.426      2.44705  111.391      2.53235  10.6     0.115427  10.5508  0.120007  
1 1 1 44 1  10 o 17.0153  0.120797  289.722      4.11079  290.245      5.7025   289.155      5.93133  17.0252  0.167473  16.9922  0.174531  
1 1 1 44 1  11 o 18.7192  0.132968  350.733      4.97812  351.456      6.97116  349.981      7.11116  18.7303  0.186093  18.6902  0.190238  
1 1 1 44 1  12 o 10.1069  0.0848677 102.191      1.7155   100.622      2.46469  103.666      2.38923  10.0267  0.122906  10.1777  0.117376  
1 1 1 44 1  13 o 5.19759  0.0793698 27.0257      0.825064 27.9509      1.19866  26.1927      1.13738  5.28469  0.113409  5.11586  0.111162  
1 1 1 44 1  14 o 6.27045  0.075823  39.3345      0.950889 38.8753      1.32301  39.8252      1.36762  6.23249  0.106138  6.30807  0.108402  
1 1 1 44 1  15 o 6.58384  0.0826636 43.371       1.08849  41.3661      1.58125  45.1767      1.50062  6.42766  0.123003  6.71792  0.111688  
1 1 1 44 1  16 o 12.9653  0.105558  168.283      2.73717  168.467      3.86313  168.096      3.87882  12.9655  0.148978  12.951   0.149749  
1 1 1 44 1  17 o 10.1629  0.0885807 103.373      1.80047  103.645      2.65651  103.143      2.44867  10.1711  0.130591  10.1478  0.12065   
1 1 1 44 1  18 o 7.87542  0.0790862 62.0701      1.24567  60.3561      1.72084  63.9571      1.80551  7.76302  0.110836  7.991    0.112972  
1 1 1 44 1  19 o 2.72832  0.114058  7.45739      0.622375 7.04805      0.877783 7.87121      0.88258  2.64968  0.16564   2.80065  0.157567  
1 1 1 44 1  20 o 2.19194  0.140181  4.81952      0.614536 5.46167      0.877068 4.20024      0.861317 2.33045  0.188176  2.04221  0.210878  
1 1 1 44 1  21 o 5.63309  0.0799223 31.7685      0.900418 30.5584      1.25338  33.0592      1.29438  5.52147  0.1135    5.74306  0.112691  
1 1 1 44 1  22 o 3.08693  0.110733  9.55294      0.683653 10.2996      0.96393  8.79722      0.969758 3.20195  0.150522  2.95796  0.163923  
1 1 1 44 1  23 o 1.65705  0.19613   2.76994      0.649994 2.2665       0.923723 3.2637       0.914803 1.46024  0.324793  1.79334  0.255056  
1 1 1 44 1  24 o 2.39488  0.151133  5.77085      0.723892 4.98644      0.984574 6.69379      1.06798  2.21845  0.221906  2.57243  0.207582  
1 1 1 44 1  25 o 4.87677  0.0994572 23.8541      0.97006  22.9699      1.34464  24.8138      1.40083  4.77841  0.140699  4.96643  0.14103   
1 1 1 44 1  26 o 3.53079  0.118362  12.5271      0.83582  12.632       1.17448  12.4195      1.18972  3.53713  0.166022  3.50651  0.169645  
1 1 1 44 1  27 o 1.74451  0.236693  3.10513      0.825829 3.04513      1.25114  3.15146      1.09933  1.67023  0.382573  1.71481  0.332404  
1 1 1 44 1  28 o 2.02848  0.211033  4.18829      0.856149 4.54537      1.21878  3.84044      1.20293  2.0964   0.290685  1.92193  0.312947  
1 1 1 44 1  29 o 1.30423  0.310507  1.85031      0.799409 2.00946      1.14242  1.69762      1.11901  1.34906  0.397092  1.25346  0.397986  
1 1 1 44 1  30 o 2.33214  0.177816  5.53729      0.829382 5.66423      1.14326  5.39625      1.20502  2.34019  0.244266  2.27765  0.264533  
1 1 1 44 1  31 o 0.945332 0.33862   0.853159     0.814541 0.476101     1.15491  1.22635      1.14898  0.936406 0.384586  1.11239  0.401802  
1 1 1 44 1  32 o 1.99341  0.214005  4.1092       0.853203 2.87422      1.19798  5.38042      1.21543  1.58316  0.382148  2.25976  0.268929  
1 1 1 44 1  33 o 1.11595  0.346483  1.38067      0.853643 0.953965     1.20365  1.81249      1.21085  1.04107  0.403861  1.26342  0.414846  
1 1 1 44 1  34 o 2.06752  0.217337  4.46198      0.898697 4.94488      1.28219  3.99567      1.25999  2.13624  0.300105  1.8742   0.349157  
1 1 1 44 1  35 o 2.04171  0.217994  4.40301      0.890159 5.73346      1.2836   3.17034      1.23553  2.29058  0.28019   1.61655  0.386762  
1 1 1 44 1  36 o 2.78207  0.166667  8.03183      0.927361 9.23422      1.31782  6.85227      1.30525  2.9398   0.224134  2.50433  0.260597  
1 1 1 44 1  37 o 1.06736  0.358648  1.41555      0.905013 1.75226      1.24521  1.03853      1.31762  1.15227  0.418084  0.996945 0.410342  
1 1 1 44 1  38 o 1.10733  0.365452  1.6108       0.939677 0.129564     1.31935  3.13576      1.33867  0.825706 0.373552  1.47837  0.428157  
1 1 1 44 1  39 o 0.837115 0.362171  0.675052     1.1141   0.77298      1.61688  0.586529     1.53727  0.906657 0.411574  0.876034 0.39864   
1 1 1 44 1  40 o 1.11296  0.434898  2.43873      1.40101  0.786436     1.92384  4.30443      2.04431  0.868365 0.411621  1.28618  0.517718  
1 1 1 44 1  41 o 0.662971 0.320543  -0.470757    1.2973   0.0297142    1.82919  -0.97726     1.84018  0.769469 0.374155  0.70685  0.349852  
1 1 1 44 2  0  o 22.557   0.262832  509.558      11.8538  509.558      11.8538  509.558      11.8538  22.5652  0.185754  ?        ?         
1 1 1 44 2  1  o 5.81609  0.0772523 33.833       0.898612 33.3875      1.36129  34.1771      1.1963   5.77697  0.117821  5.84518  0.102332  
1 1 1 44 2  2  o 12.5572  0.103432  157.735      2.59763  160.29       3.95905  155.804      3.44214  12.6558  0.156413  12.4785  0.137923  
1 1 1 44 2  3  o 10.2382  0.0920269 104.848      1.88437  106.976      2.71799  102.879      2.61481  10.3401  0.13143   10.1403  0.128932  
1 1 1 44 2  4  o 2.85993  0.111529  8.18247      0.637932 7.36736      0.869088 9.13469      0.939347 2.71317  0.160161  3.02119  0.15546   
1 1 1 44 2  5  o 2.53976  0.132958  6.45424      0.675365 6.27547      0.914183 6.66905      1.00208  2.50367  0.182568  2.5808   0.194141  
1 1 1 44 2  6  o 2.05898  0.141181  4.24246      0.581378 4.90474      0.804353 3.51799      0.841275 2.21334  0.181706  1.87392  0.22447   
1 1 1 44 2  7  o 16.5797  0.122823  275.05       4.07275  273.167      5.45757  277.416      6.1184   16.5189  0.165192  16.6447  0.183794  
1 1 1 44 2  8  o 11.0784  0.0885079 122.772      1.96105  121.512      2.60072  124.433      2.98565  11.0199  0.118001  11.1506  0.133879  
1 1 1 44 2  9  o 11.3973  0.0921486 129.949      2.10049  128.91       2.82584  131.233      3.14001  11.3497  0.12449   11.4506  0.137111  
1 1 1 44 2  10 o 11.5672  0.090332  133.856      2.08978  133.156      2.91146  134.6        3.00138  11.5347  0.126205  11.5968  0.129406  
1 1 1 44 2  11 o 14.8628  0.107929  221.047      3.20826  221.474      4.65548  220.66       4.42743  14.872   0.156519  14.8455  0.149117  
1 1 1 44 2  12 o 5.61447  0.0736875 31.5326      0.827432 32.5729      1.17472  30.5083      1.16566  5.70543  0.102948  5.52156  0.105555  
1 1 1 44 2  13 o 12.7695  0.100557  163.17       2.56812  165.6        3.77656  161.08       3.50264  12.8592  0.146843  12.6835  0.138078  
1 1 1 44 2  14 o 7.70691  0.0796993 59.4249      1.22847  58.0171      1.76256  60.7549      1.71313  7.613    0.11576   7.79094  0.109944  
1 1 1 44 2  15 o 6.17871  0.0781104 38.1971      0.965242 37.7769      1.34202  38.6473      1.38932  6.14304  0.109231  6.21325  0.111803  
1 1 1 44 2  16 o 2.11429  0.143555  4.47988      0.607037 4.86944      0.871263 4.11237      0.846242 2.20221  0.197816  2.02331  0.209124  
1 1 1 44 2  17 o 4.2471   0.0863329 18.0532      0.733329 18.7253      1.05842  17.4327      1.01699  4.32357  0.122402  4.1717   0.121891  
1 1 1 44 2  18 f 2.67807  0.114296  7.18435      0.612185 7.64763      0.8623   6.71356      0.869263 2.76102  0.156156  2.58626  0.168054  
1 1 1 44 2  19 o 3.39003  0.0964311 11.5079      0.653808 12.1969      0.936935 10.854       0.912785 3.48776  0.134318  3.28988  0.138726  
1 1 1 44 2  20 o 1.48714  0.201286  2.2265       0.598681 2.28455      0.84973  2.16928      0.843629 1.47483  0.298505  1.43515  0.303288  
1 1 1 44 2  21 o 3.08904  0.109039  9.56375      0.673652 10.1982      0.959188 8.94619      0.946317 3.1866   0.150503  2.98389  0.158571  
1 1 1 44 2  22 o 3.9863   0.0933868 15.9196      0.744535 16.1554      1.05185  15.6828      1.05402  4.01222  0.13108   3.95285  0.133324  
1 1 1 44 2  23 o 3.32274  0.109881  11.0725      0.73021  11.2263      1.04754  10.9271      1.01842  3.34075  0.156782  3.29622  0.154484  
1 1 1 44 2  24 o 4.338    0.0989367 18.8699      0.858375 19.6089      1.18905  18.0658      1.24043  4.41707  0.134597  4.23777  0.146354  
1 1 1 44 2  25 o 4.37347  0.100815  19.188       0.881823 18.9762      1.22599  19.4152      1.26931  4.34256  0.14116   4.39184  0.144507  
1 1 1 44 2  26 o 0.866634 0.327358  0.588568     0.775824 -0.0280852   1.14834  1.10639      1.0523   0.853582 0.368473  1.08495  0.385255  
1 1 1 44 2  27 o 2.58964  0.163967  6.77433      0.849228 6.58821      1.21656  6.95123      1.186    2.53925  0.239551  2.61108  0.22711   
1 1 1 44 2  28 o 1.94096  0.211044  3.83743      0.819258 3.22059      1.15548  4.46101      1.16176  1.72412  0.347283  2.07815  0.279518  
1 1 1 44 2  29 o 1.89126  0.212578  3.65899      0.804084 4.32619      1.15577  3.03314      1.11939  2.03874  0.283453  1.6638   0.347695  
1 1 1 44 2  30 o 1.28723  0.317206  1.81978      0.812438 1.23603      1.11119  2.49023      1.19086  1.1132   0.395828  1.48489  0.394283  
1 1 1 44 2  31 o 3.05792  0.144226  9.47719      0.882059 8.86695      1.25155  10.0794      1.24333  2.93446  0.21325   3.13479  0.198311  
1 1 1 44 2  32 o 2.35958  0.185623  5.71168      0.875985 6.03435      1.23997  5.3902       1.23769  2.3971   0.25864   2.25898  0.273949  
1 1 1 44 2  33 o 1.10115  0.342682  1.34836      0.83437  1.13775      1.17967  1.5592       1.18029  1.07763  0.404455  1.1871   0.409312  
1 1 1 44 2  34 o 1.32922  0.32754   2.02385      0.866263 3.36459      1.24147  0.751644     1.20932  1.69399  0.376322  0.981632 0.396924  
1 1 1 44 2  35 o 0.762064 0.325116  0.201383     0.875264 0.675124     1.26836  -0.229317    1.20937  0.96095  0.399654  0.792701 0.358183  
1 1 1 44 2  36 o 1.9061   0.231614  3.91128      0.882957 3.66713      1.25074  4.15383      1.24665  1.72967  0.372219  1.86721  0.34681   
1 1 1 44 2  37 o 0.754401 0.327432  0.222822     0.916153 -0.903247    1.27748  1.41528      1.31459  0.701252 0.333831  1.06618  0.420056  
1 1 1 44 2  38 o 0.924405 0.358251  1.01563      0.946647 2.2592       1.34478  -0.205945    1.33283  1.22503  0.435462  0.777275 0.360122  
1 1 1 44 2  39 o 1.07663  0.394444  1.76436      1.11071  1.58215      1.63524  1.92042      1.51338  1.01443  0.43883   1.07456  0.440603  
1 1 1 44 2  40 o 1.00065  0.417874  1.94707      1.39547  2.70345      1.81214  0.845019     2.18738  1.06749  0.461871  0.867918 0.419001  
1 1 1 44 2  41 o 0.871898 0.381819  1.33064      1.26817  1.89397      1.8656   0.846743     1.72909  0.916451 0.425162  0.817272 0.388739  
1 1 1 44 3  0  o 5.99797  0.113872  36.0219      1.36489  36.0219      1.36489  36.0219      1.36489  5.9999   0.0804607 ?        ?         
1 1 1 44 3  1  o 14.5465  0.118667  211.696      3.45238  216.836      5.05998  207.219      4.72231  14.7184  0.171893  14.3889  0.164096  
1 1 1 44 3  2  o 7.80019  0.0759028 60.8544      1.18411  58.4388      1.60269  63.7579      1.75711  7.64315  0.104845  7.98327  0.11005   
1 1 1 44 3  3  o 4.57656  0.0854207 20.95        0.781865 21.0352      1.17805  20.883       1.04527  4.58514  0.128464  4.56878  0.114392  
1 1 1 44 3  4  o 15.8046  0.132112  249.939      4.17595  251.039      6.24551  249.049      5.61592  15.8334  0.197226  15.7725  0.178029  
1 1 1 44 3  5  o 5.97166  0.0719749 35.6675      0.859619 35.2656      1.20461  36.0846      1.22707  5.93735  0.101443  6.00588  0.102156  
1 1 1 44 3  6  o 9.79567  0.0849811 95.9826      1.66489  95.5665      2.34888  96.4027      2.36019  9.77299  0.120172  9.81565  0.120226  
1 1 1 44 3  7  o 4.3623   0.0793921 19.0349      0.692665 18.5853      0.967566 19.5075      0.992044 4.30987  0.11225   4.41551  0.112336  
1 1 1 44 3  8  o 4.05257  0.0825416 16.4285      0.669012 16.7131      0.932579 16.1267      0.960281 4.08693  0.114093  4.01447  0.119602  
1 1 1 44 3  9  o 10.538   0.0851104 111.09       1.79379  109.054      2.4545   113.424      2.62797  10.4393  0.117561  10.646   0.123425  
1 1 1 44 3  10 o 2.79947  0.105302  7.84174      0.589579 7.66251      0.821203 8.03239      0.846976 2.76648  0.14842   2.83244  0.149513  
1 1 1 44 3  11 o 4.0519   0.0804208 16.4241      0.651713 16.3563      0.909773 16.4956      0.934029 4.04279  0.112518  4.0599   0.115031  
1 1 1 44 3  12 o 6.26511  0.0738373 39.2654      0.925198 39.0703      1.36387  39.4316      1.25924  6.24821  0.109141  6.27741  0.100299  
1 1 1 44 3  13 o 15.2013  0.111556  231.285      3.39158  226.601      4.76589  236.09       4.82752  15.0396  0.158445  15.3515  0.157233  
1 1 1 44 3  14 o 9.44306  0.0832066 89.2217      1.57145  87.4706      2.23356  90.9382      2.21134  9.34708  0.119479  9.53087  0.116009  
1 1 1 44 3  15 o 6.67326  0.0769027 44.5581      1.02638  42.8605      1.40733  46.487       1.50016  6.54313  0.107543  6.81414  0.110077  
1 1 1 44 3  16 o 5.25581  0.0789712 27.6423      0.830115 27.3153      1.2066   27.9362      1.14384  5.22262  0.115516  5.28211  0.108275  
1 1 1 44 3  17 o 1.10672  0.26585   1.2848       0.581954 2.094        0.848556 0.566224     0.799635 1.41164  0.309034  0.878705 0.332218  
1 1 1 44 3  18 o 2.99026  0.106474  8.95569      0.636768 8.96677      0.898349 8.9445       0.902717 2.98978  0.150236  2.98601  0.151158  
1 1 1 44 3  19 o 1.98572  0.150179  3.95665      0.596427 3.9683       0.829031 3.94415      0.858702 1.98538  0.208784  1.9788   0.216975  
1 1 1 44 3  20 o 2.93934  0.108513  8.65762      0.637914 8.99169      0.910021 8.33487      0.894473 2.9925   0.15205   2.88088  0.155243  
1 1 1 44 3  21 o 3.29481  0.102803  10.8786      0.677431 11.103       0.956731 10.6529      0.959338 3.32531  0.143856  3.2569   0.147278  
1 1 1 44 3  22 o 3.33526  0.10504   11.1507      0.700669 10.81        0.982069 11.5038      0.999965 3.27992  0.149709  3.38374  0.14776   
1 1 1 44 3  23 o 3.82457  0.101204  14.6652      0.774123 15.0668      1.05803  14.2025      1.13564  3.87251  0.136608  3.75782  0.151103  
1 1 1 44 3  24 f 3.21902  0.12149   10.4065      0.782157 11.3448      1.08547  9.39304      1.12803  3.35559  0.16174   3.04982  0.184934  
1 1 1 44 3  25 o 2.63806  0.141189  7.00436      0.744931 6.14362      1.01887  7.99291      1.0919   2.46135  0.206974  2.80977  0.194304  
1 1 1 44 3  26 o 4.10951  0.115364  16.9689      0.948183 17.0986      1.37997  16.8529      1.30503  4.11414  0.167711  4.0864   0.15968   
1 1 1 44 3  27 o 2.48353  0.167548  6.23626      0.83222  7.10823      1.15852  5.30656      1.19626  2.64119  0.219318  2.27276  0.263173  
1 1 1 44 3  28 o 0.949837 0.333003  0.861378     0.783988 1.22493      1.11116  0.500991     1.10631  1.12064  0.396088  0.939619 0.379763  
1 1 1 44 3  29 o 2.13386  0.194428  4.64415      0.829761 5.17388      1.2175   4.18469      1.13387  2.23111  0.272848  2.00366  0.28295   
1 1 1 44 3  30 o 2.15673  0.187977  4.74924      0.81083  4.67704      1.12465  4.82738      1.17008  2.11863  0.265418  2.15021  0.272085  
1 1 1 44 3  31 o 0.556703 0.265335  -0.943822    0.809474 -0.771314    1.15359  -1.11115     1.13615  0.725188 0.335623  0.6765   0.318944  
1 1 1 44 3  32 o 0.681899 0.302946  -0.19801     0.831535 -1.06982     1.18047  0.660633     1.17152  0.694688 0.326812  0.970906 0.39146   
1 1 1 44 3  33 o 0.930181 0.342059  0.831592     0.835948 -0.217171    1.17625  1.90189      1.18826  0.802601 0.358292  1.27963  0.410505  
1 1 1 44 3  34 o 1.93198  0.225297  3.93148      0.870538 4.27614      1.22207  3.57641      1.24039  1.97114  0.309991  1.74833  0.366485  
1 1 1 44 3  35 o 1.31863  0.331907  2.04557      0.875328 0.893568     1.23186  3.22045      1.24403  0.995784 0.401446  1.62248  0.388033  
1 1 1 44 3  36 f 1.51483  0.295859  2.65444      0.864376 1.8528       1.22683  3.44464      1.21804  1.20225  0.417036  1.66673  0.374552  
1 1 1 44 3  37 f 1.62375  0.294242  3.1131       0.920409 2.8355       1.28723  3.40349      1.31658  1.42887  0.421801  1.58363  0.411867  
1 1 1 44 3  38 o 1.92946  0.252537  4.27095      0.974519 2.74475      1.3527   5.91778      1.40515  1.33194  0.438473  2.18615  0.321375  
1 1 1 44 3  39 o 0.915384 0.385094  1.08233      1.19932  1.13518      1.71605  1.03186      1.67683  0.950502 0.428228  0.935647 0.422323  
1 1 1 44 3  40 o 0.771564 0.354841  0.524797     1.26419  1.10599      1.79159  -0.0515568   1.78411  0.864879 0.405851  0.767576 0.372065  
1 1 1 44 3  41 o 0.540234 0.271831  -2.11537     1.30529  -0.798447    1.80322  -3.56502     1.8919   0.692609 0.34364   0.58587  0.29872   
1 1 1 44 4  0  o 9.2668   0.11528   85.9333      2.1358   85.9333      2.1358   85.9333      2.1358   9.26841  0.0814866 ?        ?         
1 1 1 44 4  1  o 15.211   0.117411  231.486      3.57186  230.086      4.96975  232.981      5.13716  15.1614  0.163895  15.2561  0.168364  
1 1 1 44 4  2  o 9.95065  0.0885046 99.0432      1.76136  97.4086      2.5518   100.531      2.43422  9.86661  0.129315  10.0238  0.121422  
1 1 1 44 4  3  o 18.2797  0.136368  334.378      4.98554  332.425      7.01832  336.368      7.08336  18.2199  0.1926    18.3276  0.193243  
1 1 1 44 4  4  o 8.19751  0.0757727 67.214       1.24229  68.8453      1.77182  65.6367      1.74229  8.29546  0.106795  8.09982  0.107551  
1 1 1 44 4  5  o 5.62503  0.0695241 31.6472      0.78215  30.7395      1.11343  32.5316      1.09897  5.54316  0.100432  5.70255  0.0963578 
1 1 1 44 4  6  o 11.4531  0.0890449 131.218      2.03967  130.897      2.89085  131.536      2.87826  11.437   0.126382  11.4649  0.125525  
1 1 1 44 4  7  o 8.49829  0.0773805 72.241       1.3152   75.1051      1.87011  69.4382      1.85001  8.66396  0.107925  8.33055  0.111038  
1 1 1 44 4  8  o 7.68842  0.0728771 59.1273      1.12062  57.6229      1.53799  60.8298      1.63615  7.58904  0.10133   7.79722  0.104919  
1 1 1 44 4  9  o 2.54217  0.109999  6.4668       0.559269 6.67502      0.775977 6.24172      0.806774 2.58206  0.150263  2.49661  0.161574  
1 1 1 44 4  10 o 9.90264  0.0839484 98.1021      1.66262  96.8889      2.36799  99.2817      2.33497  9.83912  0.120335  9.96009  0.117216  
1 1 1 44 4  11 o 10.7288  0.0874286 115.162      1.87601  113.802      2.58818  116.669      2.72312  10.6629  0.121364  10.7959  0.126118  
1 1 1 44 4  12 o 2.98432  0.100431  8.91236      0.599437 9.10795      0.863301 8.73028      0.832976 3.01579  0.14313   2.95266  0.141055  
1 1 1 44 4  13 o 7.61241  0.0748338 57.9737      1.13933  58.7122      1.61609  57.2441      1.60647  7.65907  0.105502  7.56266  0.10621   
1 1 1 44 4  14 o 5.96398  0.0806052 35.5897      0.961455 37.9922      1.32412  32.9104      1.39832  6.16059  0.107467  5.73293  0.121955  
1 1 1 44 4  15 o 9.83974  0.0862025 96.8958      1.69642  95.952       2.4278   97.7962      2.37139  9.7877   0.124023  9.88182  0.119988  
1 1 1 44 4  16 o 7.78247  0.0818003 60.6127      1.27322  59.6569      1.76322  61.6541      1.84047  7.71806  0.114227  7.84588  0.117289  
1 1 1 44 4  17 o 1.91913  0.152823  3.69414      0.586573 4.42507      0.833363 2.97646      0.825769 2.09825  0.198585  1.71885  0.240209  
1 1 1 44 4  18 o 5.19795  0.0801576 27.0437      0.833311 26.9393      1.18123  27.1472      1.17575  5.18544  0.113898  5.20549  0.112934  
1 1 1 44 4  19 o 5.20506  0.0794658 27.1203      0.827249 26.6595      1.14852  27.6172      1.19254  5.15807  0.111332  5.24969  0.113582  
1 1 1 44 4  20 o 3.71539  0.0925675 13.8259      0.687849 13.3301      0.980745 14.3059      0.964977 3.64495  0.134535  3.77662  0.127757  
1 1 1 44 4  21 o 2.57233  0.124887  6.63802      0.642502 6.98891      0.900046 6.27342      0.917474 2.63585  0.170732  2.49611  0.183781  
1 1 1 44 4  22 o 3.51371  0.102588  12.3759      0.720929 12.439       1.02347  12.3137      1.01567  3.51842  0.145445  3.5007   0.145066  
1 1 1 44 4  23 o 2.32554  0.147604  5.43973      0.686517 5.75167      0.926356 5.05967      1.02251  2.38633  0.194096  2.23385  0.228868  
1 1 1 44 4  24 o 5.4109   0.0894876 29.3483      0.968418 29.1462      1.35009  29.5624      1.38988  5.38608  0.125331  5.42383  0.128127  
1 1 1 44 4  25 o 3.04923  0.125949  9.34807      0.768094 9.01249      1.0892   9.68004      1.08333  2.98503  0.182443  3.095    0.175012  
1 1 1 44 4  26 o 1.85516  0.223808  3.5032       0.830399 3.35041      1.22108  3.63466      1.13262  1.76112  0.359118  1.87586  0.301894  
1 1 1 44 4  27 o 3.36681  0.12672   11.408       0.853283 11.0193      1.17322  11.8446      1.24328  3.29868  0.177831  3.419    0.181819  
1 1 1 44 4  28 o 1.16164  0.321954  1.46389      0.773379 0.954304     1.11109  1.94281      1.07715  1.04659  0.392579  1.3281   0.383879  
1 1 1 44 4  29 o 2.63794  0.163537  7.06203      0.862799 7.28487      1.22279  6.84108      1.21759  2.66017  0.229833  2.57574  0.236358  
1 1 1 44 4  30 o 2.4263   0.168305  5.9888       0.816718 6.40541      1.14977  5.56449      1.16033  2.4904   0.23084   2.31461  0.250654  
1 1 1 44 4  31 o 1.17908  0.333263  1.54545      0.82073  0.778245     1.15005  2.3417       1.17162  0.995912 0.392725  1.42802  0.39643   
1 1 1 44 4  32 o 0.846105 0.333376  0.527164     0.828091 0.877366     1.17372  0.180079     1.16849  1.01915  0.398097  0.873516 0.37425   
1 1 1 44 4  33 o 3.38703  0.139303  11.668       0.943647 11.1838      1.32668  12.1639      1.3425   3.28572  0.201886  3.43027  0.195684  
1 1 1 44 4  34 o 1.8801   0.232614  3.74695      0.874674 4.07308      1.23927  3.42323      1.23469  1.87971  0.342312  1.69813  0.373648  
1 1 1 44 4  35 f 0.811257 0.330306  0.464368     0.844539 0.542471     1.20709  0.389476     1.18202  0.917757 0.386228  0.883156 0.37733   
1 1 1 44 4  36 o 0.844103 0.339297  0.618029     0.876323 0.38256      1.20059  0.886527     1.28203  0.867442 0.375638  0.976022 0.403603  
1 1 1 44 4  37 o 0.789722 0.334086  0.417449     0.910971 -1.19891     1.29637  1.99422      1.2804   0.67513  0.325099  1.1959   0.424931  
1 1 1 44 4  38 o 0.670313 0.308084  -0.186675    0.951345 0.614231     1.32654  -1.03481     1.36509  0.871464 0.385467  0.685816 0.331067  
1 1 1 44 4  39 o 0.812278 0.367922  0.437221     1.2837   0.285307     2.00261  0.543178     1.6725   0.877989 0.41797   0.871911 0.403753  
1 1 1 44 4  40 o 0.817861 0.371394  0.913493     1.31913  3.04681      2.04658  -0.602666    1.72534  1.03748  0.467521  0.715083 0.351324  
1 1 1 44 4  41 o 0.53624  0.270458  -2.21991     1.36705  -2.60479     1.71156  -1.54175     2.27194  0.576364 0.292296  0.675979 0.341758  
1 1 1 44 5  0  o 1.96034  0.251342  4.03351      0.949082 4.03351      0.949082 4.03351      0.949082 1.98578  0.171943  ?        ?         
1 1 1 44 5  1  o 1.79213  0.170932  3.21537      0.612663 3.25401      0.840291 3.17152      0.895185 1.80196  0.23316   1.77867  0.251645  
1 1 1 44 5  2  o 7.23774  0.0733419 52.396       1.06166  52.1917      1.50644  52.5976      1.49644  7.22281  0.104283  7.25087  0.10319   
1 1 1 44 5  3  o 7.38263  0.0746057 54.5157      1.10157  54.9822      1.58894  54.084       1.52853  7.41323  0.107169  7.35253  0.103946  
1 1 1 44 5  4  o 4.97308  0.0751669 24.7375      0.747621 24.3752      1.0557   25.102       1.0589   4.93589  0.106941  5.00897  0.1057    
1 1 1 44 5  5  o 6.92009  0.0687556 47.8978      0.95159  48.5455      1.38631  47.3208      1.30855  6.96589  0.0995072 6.8776   0.0951316 
1 1 1 44 5  6  o 4.29266  0.0754331 18.4319      0.647618 17.0403      0.94548  19.6618      0.888879 4.12671  0.114556  4.43311  0.100255  
1 1 1 44 5  7  o 6.67706  0.0742199 44.5953      0.99114  45.1714      1.40718  44.0281      1.39625  6.71913  0.104715  6.63354  0.105242  
1 1 1 44 5  8  o 7.84159  0.0728084 61.5079      1.14187  61.6484      1.6574   61.3811      1.57541  7.84933  0.105576  7.83251  0.100568  
1 1 1 44 5  9  f 16.4791  0.118734  271.777      3.91325  268.817      5.55699  274.69       5.51163  16.3822  0.169604  16.5607  0.166406  
1 1 1 44 5  10 o 2.45166  0.115665  6.01557      0.567143 6.89206      0.801113 5.13492      0.803013 2.62339  0.152687  2.26384  0.177356  
1 1 1 44 5  11 o 3.49418  0.0925078 12.2162      0.646477 13.2602      0.946924 11.3049      0.884754 3.63937  0.130094  3.36031  0.131648  
1 1 1 44 5  12 o 8.43869  0.0784635 71.2439      1.32426  73.3705      1.88812  69.185       1.85782  8.56177  0.110264  8.31387  0.11173   
1 1 1 44 5  13 o 4.40609  0.0800524 19.4241      0.705436 19.7827      1.02456  19.1008      0.97273  4.44527  0.115242  4.36816  0.111343  
1 1 1 44 5  14 f 3.90361  0.0869304 15.2496      0.678685 14.7138      0.946229 15.8173      0.973983 3.83298  0.123433  3.97416  0.12254   
1 1 1 44 5  15 o 11.9509  0.0966185 142.97       2.30936  140.961      3.2937   144.913      3.23885  11.8603  0.138854  12.0261  0.134659  
1 1 1 44 5  16 o 2.66623  0.123021  7.1217       0.656005 7.50903      0.968682 6.79359      0.89157  2.73509  0.177084  2.60185  0.171334  
1 1 1 44 5  17 o 5.75542  0.075063  33.1505      0.864038 33.6396      1.22354  32.6639      1.22033  5.79553  0.105559  5.71076  0.106845  
1 1 1 44 5  18 o 1.99185  0.150024  3.98089      0.59765  3.45027      0.825886 4.56423      0.865945 1.8505   0.223153  2.12972  0.2033    
1 1 1 44 5  19 o 7.56356  0.0800865 57.2703      1.21148  58.6664      1.75351  55.9954      1.67571  7.65072  0.114597  7.4749   0.112089  
1 1 1 44 5  20 o 1.36264  0.221489  1.87447      0.60362  1.64364      0.849081 2.11033      0.858289 1.24695  0.333764  1.41236  0.312181  
1 1 1 44 5  21 o 2.16491  0.147096  4.70826      0.6369   3.97238      0.900055 5.44629      0.901372 1.98241  0.22701   2.32459  0.193877  
1 1 1 44 5  22 o 2.14983  0.155615  4.64875      0.669093 5.10931      0.899022 4.0769       1.00178  2.24958  0.19982   2.0041   0.249932  
1 1 1 44 5  23 o 1.63407  0.204946  2.70165      0.669793 1.53765      0.900186 4.14533      1.00251  1.20644  0.351651  2.01876  0.248299  
1 1 1 44 5  24 o 3.29802  0.11438   10.9213      0.754453 11.4179      1.05152  10.3943      1.0831   3.3662   0.156188  3.20974  0.16872   
1 1 1 44 5  25 o 1.62602  0.226708  2.69277      0.737262 3.57076      1.07578  1.9152       1.01239  1.86179  0.288912  1.33028  0.368248  
1 1 1 44 5  26 o 3.9146   0.118083  15.4034      0.924495 15.2538      1.26533  15.5748      1.35404  3.8864   0.16279   3.92472  0.172501  
1 1 1 44 5  27 o 1.69123  0.232487  2.92262      0.786379 2.55965      1.08222  3.32866      1.14462  1.5314   0.359174  1.75812  0.337566  
1 1 1 44 5  28 o 2.5229   0.163231  6.45045      0.823629 5.72232      1.16969  7.16649      1.15994  2.35593  0.248244  2.64527  0.219249  
1 1 1 44 5  29 o 1.72121  0.238776  3.05954      0.821967 2.60626      1.15499  3.52471      1.17003  1.52366  0.379901  1.79471  0.338352  
1 1 1 44 5  30 o 1.97447  0.208831  4.00552      0.82466  4.88829      1.16461  3.1178       1.16788  2.16163  0.269383  1.67059  0.35983   
1 1 1 44 5  31 o 1.67732  0.25109   2.94534      0.842316 3.81292      1.18279  2.05262      1.19982  1.88515  0.313713  1.33671  0.409916  
1 1 1 44 5  32 o 0.660467 0.297242  -0.294113    0.82461  -0.887747    1.17156  0.288735     1.16086  0.712255 0.332924  0.890887 0.377022  
1 1 1 44 5  33 o 2.33669  0.187204  5.6335       0.874876 5.26746      1.22874  6.00987      1.24597  2.21921  0.276841  2.37857  0.261915  
1 1 1 44 5  34 o 1.1903   0.34446   1.6632       0.866785 1.61447      1.2327   1.71086      1.21905  1.1729   0.416923  1.19767  0.415686  
1 1 1 44 5  35 o 0.527    0.255358  -1.19949     0.839047 0.399123     1.19479  -2.75498     1.17856  0.884658 0.378711  0.535134 0.267185  
1 1 1 44 5  36 o 0.554857 0.267517  -1.06006     0.884567 -1.24996     1.22291  -0.851664    1.28104  0.656313 0.315969  0.714343 0.337338  
1 1 1 44 5  37 o 1.38149  0.338804  2.4053       0.930238 3.32684      1.36239  1.60041      1.27324  1.53561  0.427877  1.09512  0.417692  
1 1 1 44 5  38 o 0.785524 0.340522  0.468925     0.98857  0.542782     1.50682  0.413114     1.30987  0.875316 0.397339  0.830959 0.374264  
1 1 1 44 5  39 o 0.619404 0.301903  -1.10555     1.21094  0.78599      1.86765  -2.47751     1.59059  0.896538 0.419562  0.618326 0.308958  
1 1 1 44 5  40 o 0.739057 0.343172  0.402277     1.21893  1.29159      1.81419  -0.329569    1.64575  0.862657 0.405632  0.719289 0.350833  
1 1 1 44 5  41 o 0.899814 0.399486  2.18871      1.44265  3.84466      1.87126  -0.237664    2.26512  1.0086   0.451038  0.702464 0.353829  
1 1 1 44 6  0  o 17.6217  0.174634  310.821      6.15335  310.821      6.15335  310.821      6.15335  17.6259  0.123442  ?        ?         
1 1 1 44 6  1  o 6.70477  0.073453  44.9645      0.98497  44.6562      1.27563  45.4196      1.55004  6.68118  0.0954645 6.73744  0.115032  
1 1 1 44 6  2  o 15.2469  0.113614  232.6        3.46451  230.566      4.8648   234.693      4.93508  15.1757  0.160283  15.3108  0.161163  
1 1 1 44 6  3  o 5.0139   0.0718456 25.145       0.720453 25.1661      0.989912 25.1213      1.05054  5.01547  0.098686  5.01086  0.104826  
1 1 1 44 6  4  o 9.92457  0.0812891 98.5274      1.61352  99.491       2.28804  97.5742      2.27573  9.97144  0.11473   9.87489  0.115228  
1 1 1 44 6  5  o 7.86342  0.0736391 61.8497      1.15811  63.4138      1.65315  60.3422      1.6229   7.96119  0.103826  7.76597  0.104488  
1 1 1 44 6  6  o 9.32493  0.079326  86.9821      1.47942  86.7982      2.08499  87.1685      2.09951  9.3136   0.111933  9.33342  0.112473  
1 1 1 44 6  7  o 6.1678   0.0699    38.0518      0.862259 38.8277      1.22869  37.2989      1.21035  6.22957  0.0986178 6.10568  0.0991169 
1 1 1 44 6  8  o 9.57513  0.0797744 91.7162      1.5277   91.7203      2.21872  91.7126      2.10663  9.57342  0.115879  9.57338  0.110025  
1 1 1 44 6  9  o 3.76891  0.0822069 14.2105      0.619662 14.5979      0.886904 13.8411      0.866132 3.81915  0.116113  3.71882  0.116452  
1 1 1 44 6  10 o 3.10752  0.0940939 9.6623       0.584798 10.387       0.832686 8.95698      0.821486 3.2211   0.129255  2.99095  0.137329  
1 1 1 44 6  11 o 4.2773   0.0804879 18.3038      0.688542 18.1499      0.957934 18.4683      0.990367 4.25831  0.112478  4.2954   0.115282  
1 1 1 44 6  12 o 9.2199   0.0795958 85.0498      1.46773  86.3796      2.12428  83.8351      2.03028  9.28914  0.114342  9.15159  0.110925  
1 1 1 44 6  13 o 5.62922  0.0825163 31.7082      0.929005 32.533       1.29425  30.8316      1.33429  5.70035  0.113524  5.54889  0.12023   
1 1 1 44 6  14 f 2.42649  0.120142  5.89684      0.583046 5.98505      0.827873 5.81004      0.821271 2.44275  0.169455  2.40672  0.17062   
1 1 1 44 6  15 o 5.37911  0.0830585 28.9575      0.893561 28.2624      1.2099   29.7917      1.32534  5.31229  0.113878  5.45357  0.121512  
1 1 1 44 6  16 o 2.4321   0.130921  5.92819      0.636824 5.94057      0.952416 5.91819      0.856423 2.43131  0.195865  2.42786  0.176374  
1 1 1 44 6  17 o 1.6237   0.179205  2.64856      0.581953 3.14592      0.820092 2.14406      0.82595  1.76683  0.232081  1.4288   0.298724  
1 1 1 44 6  18 o 1.80732  0.163274  3.28027      0.590175 2.99653      0.816109 3.59131      0.85448  1.72329  0.236788  1.88731  0.226375  
1 1 1 44 6  19 o 3.36488  0.0971508 11.3418      0.653801 12.5682      0.942611 10.2047      0.90761  3.53947  0.133157  3.18861  0.142321  
1 1 1 44 6  20 o 3.19999  0.103725  10.2622      0.663841 9.65026      0.921632 10.9219      0.956993 3.09962  0.148669  3.29787  0.145093  
1 1 1 44 6  21 o 1.69024  0.191606  2.88017      0.64772  2.22606      0.917749 3.52936      0.914288 1.44751  0.325002  1.86635  0.244941  
1 1 1 44 6  22 o 3.63656  0.100753  13.259       0.732785 13.0431      0.987651 13.5233      1.09296  3.6029   0.137064  3.66702  0.149026  
1 1 1 44 6  23 o 0.994585 0.300383  1.02532      0.647574 1.77342      0.89323  0.196492     0.940191 1.28711  0.341343  0.826147 0.343871  
1 1 1 44 6  24 o 6.66133  0.0858429 44.4794      1.14366  44.2245      1.60893  44.7397      1.62595  6.63412  0.121262  6.6725   0.12184   
1 1 1 44 6  25 o 0.752068 0.306512  0.247682     0.727973 0.754541     1.04917  -0.222879    1.01091  0.990001 0.378706  0.766985 0.338229  
1 1 1 44 6  26 o 2.99463  0.139829  9.03623      0.837475 8.80282      1.11242  9.34158      1.27236  2.94652  0.188769  3.03043  0.209931  
1 1 1 44 6  27 o 0.832619 0.321163  0.505903     0.758923 -1.78671     1.04354  3.07987      1.10572  0.576396 0.280818  1.68581  0.339868  
1 1 1 44 6  28 f 3.46041  0.128341  12.0759      0.888224 12.7463      1.31434  11.5124      1.20504  3.53889  0.1857    3.3653   0.179038  
1 1 1 44 6  29 o 2.84632  0.149012  8.20703      0.84827  8.14848      1.15913  8.27454      1.24471  2.8198   0.205534  2.83674  0.219391  
1 1 1 44 6  30 o 5.27142  0.104234  27.9853      1.09892  27.2126      1.55165  28.7629      1.55658  5.17851  0.149816  5.32585  0.146134  
1 1 1 44 6  31 o 3.77042  0.126287  14.3864      0.952315 13.6123      1.32696  15.2086      1.36751  3.64444  0.182052  3.85457  0.177388  
1 1 1 44 6  32 o 2.27269  0.190228  5.32029      0.864661 6.0105       1.22837  4.64242      1.21734  2.38704  0.2573    2.08217  0.292325  
1 1 1 44 6  33 o 1.76301  0.240676  3.28418      0.848625 4.17463      1.19844  2.38868      1.20184  1.95579  0.306383  1.41138  0.404692  
1 1 1 44 6  34 o 1.73346  0.251745  3.23592      0.872777 3.22325      1.23507  3.24855      1.23352  1.6295   0.384682  1.63737  0.383092  
1 1 1 44 6  35 o 2.13585  0.207648  4.8358       0.887009 3.92486      1.24217  5.78359      1.26704  1.80913  0.355989  2.28556  0.277184  
1 1 1 44 6  36 o 1.12479  0.349932  1.58987      0.870134 2.77153      1.1917   0.240449     1.27348  1.4423   0.399621  0.847951 0.376039  
1 1 1 44 6  37 o 0.75896  0.329508  0.279752     0.928321 1.52503      1.3163   -0.952538    1.30942  1.06762  0.420422  0.695606 0.332944  
1 1 1 44 6  38 o 0.772547 0.341067  0.385281     1.03191  0.342262     1.53397  0.42084      1.39464  0.84587  0.389771  0.836962 0.380549  
1 1 1 44 6  39 f 0.92991  0.390772  1.40898      1.23268  0.767964     1.93617  1.8459       1.59851  0.868345 0.412239  0.987407 0.430565  
1 1 1 44 6  40 o 0.69463  0.329287  -0.0318167   1.23133  1.83934      1.83029  -1.57889     1.66426  0.925868 0.42629   0.648723 0.322992  
1 1 1 44 7  0  o 3.1879   0.141249  10.2272      0.896554 10.2272      0.896554 10.2272      0.896554 3.19298  0.0994927 ?        ?         
1 1 1 44 7  1  f 10.336   0.0882235 106.871      1.82375  106.286      2.5886   107.448      2.56985  10.3057  0.125591  10.3619  0.124004  
1 1 1 44 7  2  o 9.99603  0.0814215 99.9522      1.62778  98.5984      2.27021  101.385      2.33524  9.92657  0.11435   10.0658  0.115999  
1 1 1 44 7  3  o 6.56412  0.0713513 43.0983      0.936717 42.8968      1.27111  43.3378      1.38573  6.54806  0.0970603 6.58136  0.105277  
1 1 1 44 7  4  o 3.39669  0.0866284 11.5419      0.5885   10.8897      0.826588 12.2122      0.838059 3.29866  0.125292  3.49334  0.119951  
1 1 1 44 7  5  o 13.9797  0.100133  195.535      2.79966  193.508      3.88596  197.722      4.037    13.9037  0.139746  14.0538  0.143627  
1 1 1 44 7  6  o 9.79819  0.079335  96.0377      1.55468  95.8356      2.18274  96.2457      2.21491  9.78626  0.111521  9.80709  0.112924  
1 1 1 44 7  7  o 10.8992  0.0856659 118.843      1.86738  117.518      2.54324  120.394      2.75071  10.8363  0.117348  10.9675  0.125403  
1 1 1 44 7  8  o 4.15183  0.0807283 17.2445      0.67034  15.519       0.933    19.0857      0.963757 3.93773  0.118469  4.36709  0.110343  
1 1 1 44 7  9  o 7.64609  0.0710797 58.4819      1.08696  58.4506      1.52463  58.5142      1.55008  7.64279  0.0997432 7.64687  0.101354  
1 1 1 44 7  10 o 5.6045   0.0709328 31.4216      0.795086 32.2174      1.15185  30.6972      1.09886  5.67395  0.101504  5.53855  0.099201  
1 1 1 44 7  11 o 6.04677  0.0786288 36.5811      0.950901 40.0753      1.37598  33.3867      1.3156   6.32756  0.108729  5.77517  0.113902  
1 1 1 44 7  12 o 5.70402  0.0777697 32.5533      0.8872   32.7976      1.23211  32.2903      1.27856  5.72397  0.107627  5.67925  0.112564  
1 1 1 44 7  13 o 6.2489   0.0755671 39.0718      0.944423 39.0874      1.33634  39.0563      1.3349   6.24834  0.106936  6.24586  0.106862  
1 1 1 44 7  14 o 6.8883   0.0739444 47.4774      1.0187   48.1989      1.47031  46.8112      1.41274  6.93824  0.105957  6.83784  0.103303  
1 1 1 44 7  15 o 2.55105  0.118725  6.51903      0.605745 6.99952      0.860846 6.04779      0.852521 2.64137  0.162954  2.4547   0.173651  
1 1 1 44 7  16 o 3.51378  0.0966395 12.3626      0.67914  11.5513      0.985321 13.0967      0.93737  3.39379  0.145165  3.61475  0.129659  
1 1 1 44 7  17 o 7.90944  0.0816663 62.6219      1.29187  65.3772      1.93063  60.388       1.73841  8.07686  0.119516  7.76359  0.111959  
1 1 1 44 7  18 o 6.15349  0.0766724 37.9033      0.943605 38.1033      1.30393  37.6833      1.36724  6.16689  0.10572   6.13216  0.111481  
1 1 1 44 7  19 o 4.44377  0.083692  19.7735      0.743816 19.0702      1.03294  20.531       1.07197  4.3611   0.118427  4.52505  0.118448  
1 1 1 44 7  20 o 6.17151  0.0798337 38.1382      0.985389 39.4869      1.44263  36.9585      1.34916  6.27528  0.114946  6.07159  0.111104  
1 1 1 44 7  21 o 4.96602  0.0869791 24.7051      0.86388  24.8825      1.21199  24.5219      1.23167  4.97961  0.121695  4.94299  0.124587  
1 1 1 44 7  22 f 2.98882  0.115509  8.96576      0.690469 9.06607      0.941854 8.84922      1.01521  3.00096  0.156925  2.96297  0.171316  
1 1 1 44 7  23 o 3.40585  0.109982  11.6423      0.749168 12.1992      1.06025  11.0871      1.05872  3.48054  0.152311  3.31698  0.15959   
1 1 1 44 7  24 o 4.58677  0.0974218 21.1069      0.893703 20.1192      1.25418  22.1259      1.27382  4.47025  0.140281  4.68887  0.135835  
1 1 1 44 7  25 o 3.55568  0.123743  12.712       0.879978 12.5257      1.24897  12.8958      1.24004  3.51921  0.17745   3.57169  0.173593  
1 1 1 44 7  26 o 2.5733   0.153295  6.68387      0.788947 6.68931      1.07576  6.67753      1.16054  2.56389  0.20979   2.55789  0.226855  
1 1 1 44 7  27 o 3.9355   0.116204  15.591       0.91464  15.6427      1.28277  15.5376      1.3045   3.92961  0.163218  3.91535  0.166588  
1 1 1 44 7  28 o 0.956264 0.334707  0.889371     0.791761 0.424186     1.12571  1.34478      1.11382  0.92317  0.379513  1.14678  0.397406  
1 1 1 44 7  29 o 2.73211  0.15736   7.57579      0.859849 8.17088      1.19788  6.94325      1.23499  2.82025  0.212372  2.59086  0.238335  
1 1 1 44 7  30 o 4.47645  0.113115  20.2142      1.01271  19.7006      1.41464  20.754       1.4504   4.39977  0.160763  4.51595  0.160586  
1 1 1 44 7  31 o 3.86109  0.123012  15.0793      0.949922 15.5802      1.34976  14.5877      1.33711  3.90308  0.17291   3.77464  0.177118  
1 1 1 44 7  32 o 1.03132  0.345721  1.14881      0.840949 1.24181      1.18007  1.05284      1.19872  1.10001  0.406168  1.05602  0.404554  
1 1 1 44 7  33 o 0.757459 0.320487  0.204939     0.838533 0.487079     1.17601  -0.0868587   1.19597  0.915872 0.383114  0.819887 0.3639    
1 1 1 44 7  34 o 0.822451 0.331214  0.509679     0.837278 -0.0409106   1.16316  1.10175      1.20619  0.806531 0.35831   1.03782  0.403938  
1 1 1 44 7  35 o 2.76855  0.171509  7.99887      0.949664 7.40081      1.28073  8.72932      1.4154   2.60697  0.245636  2.82683  0.250351  
1 1 1 44 7  36 o 1.08826  0.350644  1.49426      0.866288 1.37785      1.22016  1.61258      1.23014  1.05187  0.406916  1.1085   0.413614  
1 1 1 44 7  37 o 1.23158  0.351951  2.01641      0.910488 1.32103      1.27843  2.73217      1.29702  1.00777  0.407853  1.35071  0.428435  
1 1 1 44 7  38 o 0.960413 0.372313  1.29182      1.02258  1.74617      1.57801  0.962907     1.34263  1.03973  0.43977   0.907006 0.395063  
1 1 1 44 7  39 o 0.780763 0.353285  0.60862      1.1806   1.30956      1.76791  0.0444337    1.5861   0.896366 0.41509   0.763306 0.36561   
1 1 1 44 7  40 o 0.805032 0.36048   0.911576     1.19878  2.18854      1.70473  -0.33762     1.68609  0.961165 0.430146  0.720279 0.352072  
1 1 1 44 8  0  o 6.10335  0.102588  37.2923      1.25147  37.2923      1.25147  37.2923      1.25147  6.10505  0.0724975 ?        ?         
1 1 1 44 8  1  o 13.0122  0.0977487 169.401      2.54386  166.677      3.46922  172.569      3.74129  12.9044  0.13442   13.1298  0.142474  
1 1 1 44 8  2  o 7.17619  0.0721907 51.5116      1.03611  51.9164      1.52151  51.1616      1.41486  7.20324  0.105613  7.15093  0.0989283 
1 1 1 44 8  3  o 7.11856  0.0675836 50.6861      0.962195 49.745       1.37597  51.5867      1.34603  7.05125  0.0975691 7.18074  0.0937248 
1 1 1 44 8  4  o 17.3002  0.121668  299.538      4.20976  295.352      5.8906   303.907      6.01844  17.1722  0.171516  17.4189  0.172756  
1 1 1 44 8  5  o 12.371   0.0929489 153.115      2.29974  152.6        3.14029  153.711      3.37726  12.3475  0.127163  12.3916  0.136272  
1 1 1 44 8  6  o 2.3026   0.120052  5.30643      0.55286  5.47766      0.759217 5.11312      0.806664 2.33863  0.162321  2.25911  0.178536  
1 1 1 44 8  7  o 7.81178  0.0721192 61.0435      1.12676  60.8191      1.57501  61.2788      1.61261  7.79619  0.101011  7.8255   0.103036  
1 1 1 44 8  8  o 5.06859  0.0703084 25.6989      0.712728 24.9396      1.02321  26.4145      0.993353 4.99222  0.10248   5.13791  0.096669  
1 1 1 44 8  9  f 5.16684  0.0710571 26.7057      0.734281 26.7339      1.03154  26.6768      1.04546  5.16865  0.099788  5.16307  0.101244  
1 1 1 44 8  10 o 7.02195  0.0721624 49.3275      1.01344  47.6564      1.44357  50.9515      1.42309  6.90042  0.1046    7.13527  0.0997225 
1 1 1 44 8  11 o 2.41984  0.113122  5.86212      0.547474 6.10838      0.778863 5.62161      0.769707 2.46885  0.157738  2.36828  0.162503  
1 1 1 44 8  12 o 5.12119  0.0766977 26.242       0.785567 26.4215      1.16363  26.0916      1.06485  5.13693  0.113262  5.10525  0.104289  
1 1 1 44 8  13 o 3.9208   0.0834659 15.3842      0.654505 14.7038      0.903239 16.1364      0.949731 3.83169  0.117864  4.01399  0.118303  
1 1 1 44 8  14 o 5.71676  0.0754783 32.7031      0.862983 32.0508      1.1757   33.4652      1.27072  5.65776  0.103901  5.78082  0.109908  
1 1 1 44 8  15 o 3.60031  0.0899625 12.9761      0.647786 12.626       0.92027  13.3198      0.912003 3.54939  0.129638  3.64588  0.125073  
1 1 1 44 8  16 f 7.00036  0.0774152 49.0475      1.08387  48.264       1.57777  49.7476      1.49151  6.94072  0.11366   7.04746  0.105819  
1 1 1 44 8  17 o 4.93176  0.0811961 24.3479      0.80088  24.2547      1.15428  24.4344      1.11212  4.91944  0.117318  4.93807  0.112607  
1 1 1 44 8  18 o 2.31964  0.134586  5.39831      0.624383 5.41626      0.846338 5.37687      0.924905 2.3203   0.182376  2.31044  0.200158  
1 1 1 44 8  19 o 4.08818  0.088312  16.7394      0.722071 16.4528      1.00435  17.0459      1.03885  4.04999  0.123994  4.12214  0.126009  
1 1 1 44 8  20 o 4.80497  0.0864788 23.1254      0.831056 23.0909      1.16518  23.1613      1.18567  4.79763  0.121433  4.80469  0.123387  
1 1 1 44 8  21 o 6.95086  0.0815234 48.3946      1.13331  47.7117      1.57439  49.129       1.6327   6.89619  0.114149  6.99736  0.116666  
1 1 1 44 8  22 o 2.32516  0.144598  5.43864      0.672426 5.73377      0.923721 5.10595      0.980748 2.38188  0.193906  2.24451  0.218477  
1 1 1 44 8  23 o 2.82016  0.127495  7.99409      0.71911  6.80759      1.00453  9.24125      1.02989  2.5937   0.193649  3.02602  0.170172  
1 1 1 44 8  24 o 1.28524  0.280026  1.76178      0.699805 0.840586     1.00047  2.64425      0.979219 1.00056  0.373075  1.5701   0.322904  
1 1 1 44 8  25 o 1.23215  0.315216  1.63363      0.779981 1.64878      1.08748  1.61759      1.11933  1.24774  0.391808  1.24146  0.398436  
1 1 1 44 8  26 o 1.67602  0.218954  2.86334      0.733942 2.34051      1.01626  3.43331      1.06109  1.46558  0.350849  1.82167  0.29124   
1 1 1 44 8  27 o 1.1065   0.323715  1.31747      0.761472 0.729194     1.03116  2.02304      1.12928  0.969243 0.374257  1.35276  0.393724  
1 1 1 44 8  28 o 2.19373  0.191028  4.91273      0.838127 5.76994      1.20673  4.11383      1.16496  2.35822  0.255856  1.97972  0.294223  
1 1 1 44 8  29 o 1.61078  0.247471  2.69333      0.797242 2.15165      1.13171  3.22696      1.12328  1.37954  0.391797  1.71046  0.340435  
1 1 1 44 8  30 o 2.57054  0.169761  6.74594      0.872755 7.17048      1.23352  6.32037      1.23501  2.62586  0.234879  2.45853  0.251167  
1 1 1 44 8  31 o 1.81731  0.228459  3.4349       0.830362 3.69934      1.16375  3.16064      1.18517  1.8259   0.330842  1.66731  0.365407  
1 1 1 44 8  32 o 1.25631  0.328873  1.79074      0.835978 2.5344       1.17767  1.03539      1.18689  1.46752  0.3932    1.04883  0.402334  
1 1 1 44 8  33 o 1.09716  0.347343  1.38626      0.852805 1.17384      1.21043  1.59564      1.20172  1.06516  0.406968  1.1701   0.41208   
1 1 1 44 8  34 o 0.6719   0.300596  -0.162926    0.831924 0.212207     1.16843  -0.548628    1.18478  0.848035 0.36895   0.738142 0.341048  
1 1 1 44 8  35 o 0.858782 0.34275   0.665983     0.885744 0.352327     1.19802  1.04415      1.31546  0.862292 0.374347  1.01204  0.412176  
1 1 1 44 8  36 o 0.67473  0.30288   -0.076274    0.850922 0.234224     1.18845  -0.402889    1.2189   0.822181 0.364108  0.739399 0.343268  
1 1 1 44 8  37 o 1.1233   0.374896  1.77022      0.988869 1.10798      1.51626  2.26037      1.30446  0.970169 0.421161  1.20742  0.428917  
1 1 1 44 8  38 o 0.689449 0.320512  -0.174621    1.06726  0.170585     1.50767  -0.52135     1.51099  0.814573 0.379554  0.746335 0.357328  
1 1 1 44 8  39 f 0.769909 0.346561  0.630206     1.12147  -0.590055    1.60152  1.8043       1.57093  0.704358 0.34402   0.945537 0.418693  
1 1 1 44 8  40 o 0.8605   0.375791  1.38616      1.22147  -0.30573     1.6761   3.3024       1.78376  0.704251 0.346089  1.06037  0.458508  
1 1 1 44 9  0  o 4.48188  0.107567  20.1283      0.962949 20.1283      0.962949 20.1283      0.962949 4.48417  0.0759726 ?        ?         
1 1 1 44 9  1  o 11.8928  0.0914024 141.504      2.17406  140.519      3.06438  142.503      3.08491  11.8486  0.129314  11.932   0.12927   
1 1 1 44 9  2  o 8.21704  0.0749654 67.5409      1.23199  67.3236      1.74808  67.7553      1.73656  8.20251  0.106558  8.22882  0.105517  
1 1 1 44 9  3  o 7.16548  0.0676131 51.3575      0.96896  51.3383      1.39076  51.3756      1.35075  7.16316  0.0970774 7.16587  0.0942486 
1 1 1 44 9  4  o 9.38677  0.0767463 88.1417      1.4408   87.4826      2.08698  88.742       1.99156  9.34981  0.111605  9.41722  0.10574   
1 1 1 44 9  5  f 9.2894   0.0770664 86.324       1.4318   84.7939      2.00532  87.9151      2.04501  9.20505  0.108925  9.37292  0.109091  
1 1 1 44 9  6  o 4.89908  0.0724318 24.0089      0.709698 24.0404      0.994145 23.9761      1.01346  4.90149  0.101412  4.89487  0.103523  
1 1 1 44 9  7  o 5.75409  0.0698514 33.1203      0.803862 31.7042      1.10498  34.7122      1.17161  5.62882  0.0981537 5.88974  0.0994618 
1 1 1 44 9  8  o 3.40444  0.0846312 11.5961      0.576243 11.7392      0.817686 11.4549      0.812204 3.4245   0.119388  3.38275  0.120051  
1 1 1 44 9  9  o 8.7737   0.0794894 77.0152      1.39483  75.3996      2.01448  78.5032      1.93321  8.67875  0.116058  8.8561   0.109146  
1 1 1 44 9  10 o 4.59658  0.0738817 21.1384      0.679207 22.1104      0.975121 20.2224      0.9466   4.70001  0.103736  4.49479  0.1053    
1 1 1 44 9  11 o 2.92303  0.0977634 8.55203      0.571531 8.63701      0.799804 8.46335      0.817003 2.93625  0.136195  2.90641  0.140552  
1 1 1 44 9  12 o 4.63433  0.0778194 21.4908      0.721281 20.4658      1.01336  22.5433      1.02687  4.52091  0.112075  4.74504  0.108204  
1 1 1 44 9  13 o 5.44659  0.075756  29.6847      0.825225 29.9932      1.16626  29.3754      1.16783  5.47307  0.106546  5.41632  0.107806  
1 1 1 44 9  14 o 9.26064  0.0849931 85.8376      1.57418  85.8281      2.25041  85.8467      2.20281  9.25571  0.121569  9.25708  0.11898   
1 1 1 44 9  15 o 3.26385  0.0981899 10.6671      0.640955 10.5844      0.890418 10.7561      0.923374 3.24908  0.137026  3.27509  0.140969  
1 1 1 44 9  16 o 1.1126   0.268136  1.30137      0.590513 2.2172       0.8641   0.498897     0.808856 1.45149  0.307098  0.860175 0.331608  
1 1 1 44 9  17 o 4.62366  0.0819827 21.4028      0.75812  21.4723      1.10652  21.3414      1.04078  4.62812  0.119543  4.61462  0.11277   
1 1 1 44 9  18 o 4.1858   0.0868517 17.5462      0.727087 17.9571      1.03004  17.1381      1.02649  4.23159  0.121708  4.13373  0.12416   
1 1 1 44 9  19 o 2.04089  0.151331  4.18506      0.617701 4.19825      0.859955 4.171        0.887833 2.03963  0.210811  2.03232  0.218428  
1 1 1 44 9  20 o 4.84676  0.0867209 23.532       0.840631 23.8608      1.15185  23.1573      1.22962  4.8769   0.118093  4.80313  0.128002  
1 1 1 44 9  21 o 2.80877  0.121094  7.92018      0.680248 8.07136      0.917611 7.73573      1.01356  2.83114  0.162057  2.76901  0.183019  
1 1 1 44 9  22 o 2.06694  0.165563  4.30708      0.684419 4.04972      0.955987 4.5777       0.980301 1.99553  0.239532  2.12289  0.230888  
1 1 1 44 9  23 o 2.4455   0.140577  6.01968      0.687561 5.73954      0.971177 6.30119      0.973545 2.37914  0.204103  2.4943   0.195154  
1 1 1 44 9  24 o 2.47433  0.156514  6.17611      0.774533 5.95775      1.06565  6.42064      1.12769  2.41971  0.220202  2.51109  0.224542  
1 1 1 44 9  25 o 1.22773  0.308773  1.62352      0.758027 1.58358      1.01923  1.67297      1.13395  1.22062  0.378522  1.25732  0.400778  
1 1 1 44 9  26 o 2.52107  0.154654  6.42338      0.779787 6.81739      1.10176  6.02788      1.10382  2.58497  0.213108  2.42735  0.227371  
1 1 1 44 9  27 o 1.42826  0.284373  2.19076      0.783503 3.00489      1.06371  1.22521      1.15841  1.66172  0.331805  1.12411  0.403704  
1 1 1 44 9  28 o 3.90336  0.119877  15.3642      0.935846 15.7508      1.33494  14.9905      1.31232  3.93573  0.169592  3.83906  0.170917  
1 1 1 44 9  29 o 1.9545   0.21312   3.93239      0.833086 2.96483      1.17814  4.90002      1.17818  1.62258  0.370963  2.16193  0.272484  
1 1 1 44 9  30 o 0.876226 0.333803  0.647516     0.812364 2.4372       1.16182  -1.06447     1.13632  1.45371  0.391018  0.679169 0.319841  
1 1 1 44 9  31 o 1.2939   0.317777  1.87571      0.817461 1.37722      1.15417  2.3775       1.15797  1.13804  0.403535  1.43003  0.392948  
1 1 1 44 9  32 o 2.17883  0.196908  4.91883      0.858059 6.04714      1.21321  3.78952      1.21375  2.38838  0.253983  1.82645  0.344861  
1 1 1 44 9  33 o 0.677794 0.301714  -0.141947    0.82879  0.316306     1.18305  -0.583594    1.16142  0.876713 0.376129  0.730607 0.337606  
1 1 1 44 9  34 o 1.52592  0.285871  2.64011      0.840181 2.91436      1.19207  2.36939      1.18436  1.53201  0.388361  1.36948  0.4047    
1 1 1 44 9  35 o 1.00625  0.353049  1.2084       0.881358 0.959735     1.19254  1.50772      1.30836  0.970446 0.393434  1.09998  0.422286  
1 1 1 44 9  36 o 0.832603 0.338889  0.633576     0.888717 -0.215044    1.26378  1.46381      1.25001  0.771993 0.354931  1.06381  0.411795  
1 1 1 44 9  37 o 1.82389  0.271751  3.95321      0.991287 4.34887      1.51923  3.65987      1.30812  1.66938  0.446282  1.5752   0.410948  
1 1 1 44 9  38 o 0.806946 0.355365  0.581191     1.11123  0.917266     1.67289  0.315795     1.4866   0.908078 0.413925  0.820558 0.380234  
1 1 1 44 9  39 o 0.510402 0.256282  -2.06865     1.1436   0.170253     1.69521  -3.93852     1.54922  0.761285 0.367791  ?        ?         
1 1 1 44 9  40 o 0.522663 0.262844  -1.73716     1.20782  -1.42368     1.6904   -2.06414     1.72641  0.61386  0.30888   0.591426 0.298998  
1 1 1 44 10 0  o 9.88673  0.114686  97.8248      2.26705  97.8248      2.26705  97.8248      2.26705  9.88868  0.0810669 ?        ?         
1 1 1 44 10 1  o 15.8879  0.112782  252.616      3.58374  252.158      5.06644  253.076      5.0699   15.8675  0.159649  15.8963  0.159468  
1 1 1 44 10 2  o 13.6993  0.103169  187.79       2.82667  187.163      4.04211  188.39       3.95437  13.6718  0.147827  13.7169  0.144142  
1 1 1 44 10 3  o 9.94905  0.0785238 99.021       1.56248  97.2187      2.21231  100.815      2.20705  9.85613  0.11223   10.0369  0.109947  
1 1 1 44 10 4  f 13.5725  0.099997  184.329      2.71442  181.649      3.93752  186.755      3.74709  13.4686  0.146174  13.6577  0.137179  
1 1 1 44 10 5  f 8.08422  0.0746069 65.3783      1.20628  66.1575      1.71722  64.6192      1.69486  8.13073  0.105601  8.03565  0.105459  
1 1 1 44 10 6  o 5.12408  0.0710092 26.2653      0.727713 26.2477      1.0397   26.2822      1.0189   5.12142  0.101505  5.12486  0.0994077 
1 1 1 44 10 7  o 9.4585   0.0804698 89.5052      1.52225  87.4094      2.09738  91.838       2.21283  9.34498  0.112219  9.57852  0.11551   
1 1 1 44 10 8  o 4.67436  0.0790825 21.8603      0.73932  21.3419      1.04029  22.3892      1.0509   4.61743  0.112648  4.72943  0.111102  
1 1 1 44 10 9  o 2.8318   0.0980054 8.02565      0.555063 7.97004      0.761154 8.08882      0.811187 2.82092  0.134912  2.8416   0.142734  
1 1 1 44 10 10 f 2.19605  0.118505  4.82915      0.520486 5.49342      0.720996 4.10623      0.75215  2.34115  0.153983  2.02304  0.185896  
1 1 1 44 10 11 o 0.851196 0.277469  0.704111     0.541683 0.222943     0.751485 1.2245       0.781509 0.764536 0.311479  1.09558  0.329807  
1 1 1 44 10 12 o 11.3125  0.0920394 128.094      2.08239  127.625      2.91297  128.584      2.978    11.2866  0.129045  11.3285  0.131438  
1 1 1 44 10 13 o 1.94214  0.14501   3.78159      0.563258 3.31491      0.802852 4.23395      0.790428 1.81526  0.22114   2.053    0.192506  
1 1 1 44 10 14 o 8.72709  0.087414  76.2415      1.52574  76.1045      2.03924  76.4159      2.29958  8.71565  0.116987  8.73129  0.131686  
1 1 1 44 10 15 o 3.50875  0.0930005 12.327       0.652631 12.1964      0.905984 12.4678      0.940926 3.48797  0.129873  3.52632  0.133415  
1 1 1 44 10 16 o 10.5057  0.0936526 110.527      1.96777  112.161      2.94259  109.205      2.64657  10.5738  0.139145  10.4363  0.126796  
1 1 1 44 10 17 o 4.94401  0.0827599 24.4738      0.818332 24.9609      1.14025  23.9564      1.17513  4.99014  0.114251  4.88807  0.120204  
1 1 1 44 10 18 o 3.25335  0.102675  10.6067      0.668073 10.6909      0.947843 10.5235      0.941781 3.26282  0.145249  3.23715  0.145465  
1 1 1 44 10 19 o 1.71117  0.177261  2.94811      0.606644 2.77311      0.826491 3.15252      0.893241 1.65414  0.249825  1.76334  0.25328   
1 1 1 44 10 20 o 3.60932  0.0966012 13.0572      0.697329 12.2606      0.923993 14.1113      1.06287  3.49399  0.132226  3.74722  0.141821  
1 1 1 44 10 21 o 5.3676   0.0849993 28.8699      0.912485 28.8186      1.252    28.9281      1.33268  5.35806  0.116833  5.36691  0.124157  
1 1 1 44 10 22 o 2.4558   0.139407  6.06735      0.684711 6.13716      0.948761 5.99146      0.989159 2.46311  0.192594  2.43209  0.203355  
1 1 1 44 10 23 o 6.02106  0.0870137 36.3502      1.04783  35.1326      1.45824  37.65        1.50665  5.9113   0.123344  6.11949  0.123103  
1 1 1 44 10 24 o 2.57251  0.15052   6.67204      0.774426 7.38373      1.06955  5.88772      1.1228   2.69801  0.198211  2.40262  0.233661  
1 1 1 44 10 25 o 0.842954 0.318102  0.561238     0.731973 0.47566      0.991903 0.663564     1.08463  0.902464 0.361717  0.974456 0.38227   
1 1 1 44 10 26 o 2.41549  0.157382  5.90639      0.760309 6.14888      1.06233  5.65174      1.08863  2.45149  0.21667   2.34642  0.231977  
1 1 1 44 10 27 o 3.8158   0.118886  14.6728      0.907291 13.7555      1.2371   15.7404      1.33465  3.68045  0.168063  3.93652  0.169522  
1 1 1 44 10 28 o 1.22632  0.325248  1.65639      0.810941 2.18162      1.15876  1.15221      1.13529  1.39028  0.396964  1.09337  0.39896   
1 1 1 44 10 29 o 3.02917  0.143937  9.30494      0.872018 10.0298      1.20984  8.52124      1.25801  3.12748  0.193421  2.8727   0.218959  
1 1 1 44 10 30 o 1.32244  0.323479  1.95612      0.849672 1.44714      1.17564  2.51271      1.22939  1.16282  0.407774  1.4698   0.40533   
1 1 1 44 10 31 o 0.777049 0.323636  0.264791     0.833601 1.56095      1.20705  -0.917105    1.15262  1.18618  0.413449  0.698017 0.327186  
1 1 1 44 10 32 o 1.2935   0.321     1.91439      0.82755  0.868674     1.14645  3.05203      1.19578  0.992901 0.391927  1.60807  0.377801  
1 1 1 44 10 33 o 0.99441  0.344496  1.09868      0.836923 0.73682      1.18668  1.4568       1.18052  0.956443 0.390827  1.12426  0.407163  
1 1 1 44 10 34 o 1.11907  0.342426  1.50163      0.837878 1.6183       1.17998  1.38298      1.18996  1.14822  0.407933  1.08872  0.40669   
1 1 1 44 10 35 f 0.973767 0.3507    1.12621      0.874739 1.1752       1.23286  1.07655      1.24132  1.01179  0.404198  0.991255 0.401594  
1 1 1 44 10 36 o 1.7861   0.258882  3.63102      0.924781 5.53942      1.33917  1.8913       1.27861  2.14782  0.31175   1.15253  0.423115  
1 1 1 44 10 37 o 1.08069  0.374607  1.70561      0.989746 2.05056      1.42366  1.38295      1.37693  1.11132  0.437357  0.984363 0.413299  
1 1 1 44 10 38 o 0.833932 0.35934   0.87915      1.08835  -0.920538    1.65167  2.26027      1.4469   0.711976 0.348117  1.08225  0.435585  
1 1 1 44 10 39 o 0.793924 0.355049  0.807587     1.15962  1.51073      1.69338  0.18667      1.59128  0.892369 0.410517  0.758388 0.363965  
1 1 1 44 11 0  o 1.6117   0.260572  2.79863      0.773719 2.79863      0.773719 2.79863      0.773719 1.64625  0.170343  ?        ?         
1 1 1 44 11 1  o 1.30727  0.198891  1.71329      0.520008 1.59259      0.748175 1.82608      0.723263 1.23383  0.304622  1.32259  0.281795  
1 1 1 44 11 2  f 9.98797  0.0796293 99.8006      1.59067  99.2546      2.19577  100.404      2.30748  9.95868  0.110244  10.0158  0.115192  
1 1 1 44 11 3  o 2.04228  0.126929  4.17535      0.518449 4.55913      0.754284 3.83167      0.713788 2.13297  0.176815  1.95528  0.182529  
1 1 1 44 11 4  o 11.4879  0.0901997 132.046      2.07241  131.78       3.05128  132.273      2.82361  11.4725  0.132982  11.495   0.122819  
1 1 1 44 11 5  o 2.9012   0.0941038 8.42226      0.546028 7.85449      0.768842 9.00006      0.775602 2.80068  0.13726   2.9982   0.129344  
1 1 1 44 11 6  o 4.06806  0.0751804 16.5561      0.611677 16.6648      0.853302 16.4413      0.877281 4.08056  0.104557  4.05299  0.108226  
1 1 1 44 11 7  o 11.7608  0.0913388 138.41       2.14844  135.853      3.01165  141.059      3.06578  11.6478  0.12928   11.8688  0.129153  
1 1 1 44 11 8  o 5.36271  0.0682758 28.7703      0.732286 27.826       1.03378  29.7213      1.03745  5.27282  0.098029  5.44957  0.0951863 
1 1 1 44 11 9  o 3.66217  0.082155  13.4202      0.601732 13.4978      0.85763  13.345       0.844476 3.67153  0.116795  3.65074  0.115658  
1 1 1 44 11 10 o 6.1768   0.0737196 38.1746      0.910701 37.3339      1.29081  39.0079      1.28506  6.10659  0.10569   6.24217  0.102934  
1 1 1 44 11 11 o 9.3636   0.0879067 87.7523      1.64625  85.9011      2.228    89.9783      2.44314  9.26084  0.120291  9.47695  0.128899  
1 1 1 44 11 12 o 5.66689  0.0727601 32.134       0.824646 32.012       1.16727  32.2555      1.16518  5.6543   0.10322   5.6758   0.102645  
1 1 1 44 11 13 o 1.05905  0.264358  1.17663      0.558792 0.963243     0.800524 1.37941      0.780365 1.00477  0.337309  1.15084  0.324863  
1 1 1 44 11 14 o 6.99268  0.083655  48.9468      1.16995  48.0517      1.58791  50.0096      1.73036  6.92535  0.114645  7.06409  0.122476  
1 1 1 44 11 15 o 3.23465  0.0987178 10.4789      0.638635 9.99766      0.892275 10.9844      0.914465 3.15692  0.14132   3.30927  0.138167  
1 1 1 44 11 16 o 10.8104  0.0934029 117.044      2.01945  118.455      2.96147  115.817      2.76093  10.8659  0.136273  10.7462  0.128461  
1 1 1 44 11 17 o 3.53061  0.0980641 12.4884      0.692452 12.2265      0.989683 12.7396      0.969187 3.48985  0.141794  3.56289  0.136012  
1 1 1 44 11 18 o 5.05833  0.0831619 25.6237      0.841322 25.4463      1.20644  25.7916      1.17385  5.03695  0.119759  5.07151  0.11573   
1 1 1 44 11 19 o 4.08575  0.0885358 16.7237      0.72347  16.9095      0.998859 16.5186      1.04929  4.1051   0.121661  4.05647  0.129335  
1 1 1 44 11 20 o 3.82088  0.0962994 14.6352      0.735897 13.9006      0.981457 15.5785      1.11219  3.7198   0.131923  3.93659  0.141263  
1 1 1 44 11 21 o 1.39269  0.227485  1.96919      0.633631 2.17508      0.896741 1.76389      0.895439 1.42626  0.321977  1.28352  0.342392  
1 1 1 44 11 22 f 2.79745  0.11998   7.86245      0.671278 8.56773      0.939317 7.12627      0.95967  2.91458  0.161141  2.6552   0.180715  
1 1 1 44 11 23 o 3.49168  0.117485  12.2524      0.820437 12.7878      1.11008  11.6078      1.21795  3.56036  0.155895  3.38724  0.179785  
1 1 1 44 11 24 o 0.911439 0.323279  0.764172     0.740783 1.14442      0.988824 0.277795     1.11834  1.0826   0.374513  0.901008 0.375034  
1 1 1 44 11 25 o 2.73209  0.147093  7.53138      0.803743 7.9299       1.0798   7.03626      1.20357  2.79422  0.193221  2.62381  0.229355  
1 1 1 44 11 26 o 1.8532   0.202557  3.50554      0.750761 3.93254      1.02805  3.01759      1.09897  1.94918  0.263712  1.66194  0.342341  
1 1 1 44 11 27 f 2.91106  0.146262  8.57823      0.851557 9.24467      1.18085  7.85614      1.22916  3.00733  0.196329  2.76383  0.222365  
1 1 1 44 11 28 o 1.65114  0.237637  2.82212      0.784745 3.31189      1.09393  2.30285      1.12638  1.73894  0.326565  1.42659  0.385586  
1 1 1 44 11 29 o 3.32422  0.136056  11.1986      0.904561 10.8208      1.27668  11.5794      1.28182  3.24448  0.196747  3.35899  0.190805  
1 1 1 44 11 30 o 1.28477  0.327652  1.85137      0.844701 1.0709       1.21342  2.58521      1.1766   1.07231  0.40812   1.49539  0.389563  
1 1 1 44 11 31 o 1.37411  0.315046  2.12234      0.84779  3.2069       1.19037  1.00592      1.20773  1.66842  0.366686  1.04592  0.404792  
1 1 1 44 11 32 o 0.802679 0.324327  0.442013     0.806582 0.492945     1.14451  0.391758     1.13689  0.90616  0.378428  0.884126 0.373582  
1 1 1 44 11 33 o 0.677063 0.302401  -0.153323    0.83883  -0.0225644   1.18001  -0.286901    1.19266  0.813476 0.361207  0.777287 0.353016  
1 1 1 44 11 34 o 0.797647 0.329624  0.439426     0.854234 0.139981     1.17908  0.770251     1.23931  0.825529 0.364502  0.951621 0.395367  
1 1 1 44 11 35 o 0.805191 0.33472   0.499507     0.889047 -0.6772      1.21357  1.86258      1.30614  0.705892 0.331873  1.16615  0.427691  
1 1 1 44 11 36 o 1.26015  0.353815  2.11933      0.928086 2.41357      1.41442  1.89687      1.22987  1.24103  0.446049  1.13875  0.415272  
1 1 1 44 11 37 o 1.09702  0.38068   1.7942       1.02233  2.66539      1.47844  0.995914     1.41522  1.22967  0.454509  0.917396 0.402534  
1 1 1 44 11 38 o 0.550831 0.271291  -1.27131     1.0634   -1.43141     1.51009  -1.11382     1.49775  0.641807 0.317481  0.660275 0.325242  
1 1 1 44 11 39 o 0.616617 0.298813  -0.622701    1.14942  -0.754244    1.68997  -0.509468    1.56794  0.695584 0.342592  0.69582  0.339976  
1 1 1 44 12 0  o 5.55789  0.101973  30.9325      1.13265  30.9325      1.13265  30.9325      1.13265  5.55979  0.0720535 ?        ?         
1 1 1 44 12 1  o 10.6278  0.0834038 113.004      1.77279  113.343      2.54884  112.687      2.46735  10.6408  0.119767  10.6103  0.116271  
1 1 1 44 12 2  o 2.90306  0.0944091 8.43311      0.548151 8.01867      0.751905 8.90322      0.80081  2.82993  0.132849  2.98189  0.134279  
1 1 1 44 12 3  o 10.3285  0.0818168 106.73       1.6901   106.619      2.42047  106.836      2.36095  10.3204  0.117266  10.3312  0.114263  
1 1 1 44 12 4  o 10.6214  0.083547  112.873      1.77477  113.897      2.55676  111.92       2.46553  10.6665  0.11985   10.5738  0.116587  
1 1 1 44 12 5  o 3.18458  0.0895668 10.1479      0.570465 9.31457      0.766    11.1857      0.854804 3.05007  0.125571  3.34233  0.127875  
1 1 1 44 12 6  o 3.57826  0.0804862 12.8108      0.576001 12.6728      0.806227 12.9547      0.823216 3.55798  0.113299  3.59729  0.114422  
1 1 1 44 12 7  o 4.49238  0.070722  20.1906      0.635421 20.6423      0.927121 19.7905      0.872596 4.54125  0.102078  4.44672  0.0981168 
1 1 1 44 12 8  o 0.797033 0.258379  0.618956     0.469856 0.877437     0.662967 0.358107     0.665998 0.947139 0.306905  0.767395 0.299852  
1 1 1 44 12 9  o 3.24177  0.0869226 10.5174      0.563566 10.3485      0.795061 10.6881      0.798958 3.21432  0.123675  3.2667   0.122288  
1 1 1 44 12 10 o 7.02588  0.0738941 49.3929      1.03834  47.1834      1.47226  51.5797      1.46465  6.86464  0.107235  7.17775  0.102027  
1 1 1 44 12 11 o 0.812772 0.270829  0.629503     0.516068 0.664709     0.727703 0.593882     0.731976 0.886918 0.319825  0.865121 0.319799  
1 1 1 44 12 12 o 4.83631  0.0758564 23.4074      0.73373  23.481       1.03126  23.332       1.04416  4.84214  0.106488  4.82664  0.108167  
1 1 1 44 12 13 o 4.3796   0.0816817 19.199       0.715466 18.7952      1.01364  19.5999      1.01001  4.33113  0.117018  4.42309  0.114175  
1 1 1 44 12 14 o 8.02221  0.0814773 64.4208      1.30726  65.1892      1.77828  63.5172      1.92829  8.06645  0.110227  7.9608   0.121112  
1 1 1 44 12 15 o 6.29134  0.0776589 39.6212      0.977157 38.2838      1.34342  41.1236      1.4239   6.18119  0.10867   6.40605  0.111137  
1 1 1 44 12 16 o 3.58888  0.100255  12.9042      0.719604 12.8779      1.01593  12.9306      1.01943  3.58186  0.141815  3.58916  0.142015  
1 1 1 44 12 17 o 2.74193  0.114256  7.53808      0.626565 7.30461      0.873153 7.78592      0.899633 2.69557  0.161961  2.78299  0.161631  
1 1 1 44 12 18 o 2.28848  0.133071  5.25757      0.609062 4.33237      0.850757 6.2303       0.872335 2.0719   0.205308  2.4877   0.175329  
1 1 1 44 12 19 o 2.21678  0.14207   4.93877      0.629875 5.32032      0.846799 4.46619      0.942408 2.29692  0.184333  2.10026  0.224355  
1 1 1 44 12 20 f 3.72552  0.0990561 13.9179      0.73807  14.0714      1.01188  13.7434      1.07892  3.74162  0.13522   3.69621  0.145949  
1 1 1 44 12 21 o 3.23856  0.106157  10.5248      0.687591 10.5838      0.936433 10.4557      1.01286  3.24281  0.144386  3.22121  0.157217  
1 1 1 44 12 22 o 2.83109  0.1236    8.05772      0.699844 8.86286      0.993448 7.26453      0.98605  2.96247  0.167672  2.6794   0.184006  
1 1 1 44 12 23 o 3.73399  0.109825  14.0028      0.820174 14.8084      1.11719  13.0609      1.20791  3.8335   0.145714  3.59572  0.167966  
1 1 1 44 12 24 o 3.59954  0.117323  13.0276      0.844619 13.992       1.18679  12.0378      1.2023   3.72177  0.159439  3.44871  0.174312  
1 1 1 44 12 25 o 2.32383  0.161399  5.46633      0.750129 5.29728      1.02535  5.66099      1.1003   2.27465  0.225385  2.34927  0.234178  
1 1 1 44 12 26 o 3.38358  0.122453  11.5387      0.828656 11.7923      1.11296  11.2233      1.24132  3.41017  0.163182  3.31971  0.186962  
1 1 1 44 12 27 o 3.1288   0.137336  9.89796      0.859392 10.4657      1.19822  9.2965       1.23327  3.20225  0.18709   3.01208  0.204721  
1 1 1 44 12 28 o 3.81627  0.118565  14.6974      0.90495  13.712       1.23926  15.8232      1.32459  3.66883  0.16889   3.94154  0.168029  
1 1 1 44 12 29 o 3.15712  0.142887  10.1198      0.902223 10.6412      1.27712  9.60033      1.27476  3.21503  0.198617  3.04905  0.209042  
1 1 1 44 12 30 o 2.22376  0.193107  5.09252      0.858848 6.11481      1.21536  4.07281      1.21383  2.4124   0.251898  1.94382  0.312228  
1 1 1 44 12 31 o 1.67606  0.263807  2.989        0.884311 3.36814      1.2646   2.62618      1.23707  1.69826  0.381646  1.48442  0.405376  
1 1 1 44 12 32 o 1.39799  0.310684  2.24022      0.845867 2.7662       1.19208  1.70684      1.20043  1.50624  0.39199   1.19646  0.412766  
1 1 1 44 12 33 o 1.95602  0.225529  4.08101      0.882278 5.15423      1.22524  2.92522      1.2715   2.15881  0.283777  1.52136  0.40899   
1 1 1 44 12 34 o 0.958913 0.347301  1.04669      0.858926 0.267699     1.21595  1.8225       1.21346  0.849156 0.372853  1.18229  0.414311  
1 1 1 44 12 35 o 0.896583 0.341924  0.892928     0.853125 0.819812     1.17566  0.974253     1.2399   0.923304 0.384433  0.962381 0.397377  
1 1 1 44 12 36 o 0.568977 0.27359   -0.863265    0.910012 -3.91275     1.38974  1.42575      1.20405  0.517359 0.262586  1.0128   0.40106   
1 1 1 44 12 37 o 0.936336 0.366732  1.21791      0.997433 1.44828      1.46334  1.01801      1.36315  0.98298  0.419904  0.910198 0.397245  
1 1 1 44 12 38 o 0.818222 0.357855  0.931252     1.11104  1.39951      1.59594  0.490888     1.54767  0.890233 0.405389  0.788687 0.371958  
1 1 1 44 12 39 o 0.706842 0.331175  0.322971     1.17608  1.98041      1.69277  -1.22359     1.63517  0.905651 0.414028  0.644311 0.320706  
1 1 1 44 13 0  o 8.7917   0.105706  77.3607      1.85807  77.3607      1.85807  77.3607      1.85807  8.79358  0.0747175 ?        ?         
1 1 1 44 13 1  o 4.4382   0.0746003 19.7061      0.662183 19.4974      0.923431 19.9271      0.950074 4.4137   0.10461   4.462    0.106463  
1 1 1 44 13 2  o 6.62082  0.0694976 43.8518      0.920262 42.9353      1.26269  44.8902      1.34401  6.55009  0.096387  6.69734  0.100339  
1 1 1 44 13 3  o 4.59592  0.0703843 21.1309      0.646962 22.0595      0.917789 20.2138      0.912121 4.69492  0.0977427 4.49409  0.10148   
1 1 1 44 13 4  o 6.26701  0.0680517 39.2907      0.852963 37.7892      1.1802   40.9326      1.23415  6.1449   0.0960312 6.39534  0.0964878 
1 1 1 44 13 5  o 9.03492  0.078988  81.6748      1.4273   82.3313      1.95586  80.9268      2.08759  9.06898  0.107832  8.99056  0.116099  
1 1 1 44 13 6  o 5.03398  0.067956  25.352       0.684178 24.6292      0.972623 26.06        0.962603 4.96054  0.0980361 5.10275  0.0943219 
1 1 1 44 13 7  o 12.1899  0.0919958 148.722      2.24284  147.974      3.24995  149.403      3.09912  12.1534  0.133706  12.2131  0.126877  
1 1 1 44 13 8  o 7.21288  0.0734505 52.0556      1.05958  51.0217      1.54643  52.9706      1.45472  7.1385   0.108316  7.27423  0.0999911 
1 1 1 44 13 9  o 3.44565  0.0857891 11.8822      0.591198 11.5956      0.864539 12.134       0.810259 3.40216  0.127057  3.48076  0.116391  
1 1 1 44 13 10 o 14.5863  0.110342  213.068      3.21896  212.144      4.50855  214.028      4.59735  14.5443  0.154993  14.6082  0.157355  
1 1 1 44 13 11 o 2.17691  0.118616  4.74757      0.516431 4.23914      0.742977 5.22282      0.718334 2.05457  0.180811  2.28169  0.157413  
1 1 1 44 13 12 o 3.5332   0.0851469 12.4962      0.601682 12.1773      0.867777 12.7914      0.834984 3.48581  0.124473  3.57308  0.116844  
1 1 1 44 13 13 o 7.50178  0.078874  56.329       1.18339  57.6079      1.77831  55.3125      1.58539  7.58211  0.11727   7.43085  0.106676  
1 1 1 44 13 14 o 8.712    0.0834693 75.9857      1.45437  77.2654      2.09428  74.7936      2.02125  8.77975  0.119267  8.63856  0.11699   
1 1 1 44 13 15 o 6.3586   0.0783236 40.4767      0.996057 39.8945      1.37344  41.1226      1.44669  6.30942  0.10884   6.40527  0.11293   
1 1 1 44 13 16 o 4.43099  0.0870326 19.6632      0.771281 19.6898      1.08357  19.6359      1.09808  4.43077  0.122278  4.4245   0.124091  
1 1 1 44 13 17 f 1.26478  0.246979  1.67398      0.60246  1.13246      0.807989 2.35199      0.904104 1.0601   0.338346  1.4912   0.313111  
1 1 1 44 13 18 o 7.36706  0.0811284 54.3576      1.19536  52.7473      1.59439  56.4246      1.80636  7.25244  0.109921  7.49885  0.120442  
1 1 1 44 13 19 o 0.853841 0.29866   0.668555     0.630315 0.70862      0.901534 0.630243     0.8816   0.943762 0.353701  0.915575 0.348045  
1 1 1 44 13 20 o 5.17287  0.0836675 26.814       0.865603 26.6088      1.19218  27.0427      1.25883  5.14825  0.115785  5.18906  0.121297  
1 1 1 44 13 21 o 4.37765  0.0902723 19.2146      0.790361 19.2429      1.08525  19.1827      1.15333  4.37559  0.124012  4.36727  0.132043  
1 1 1 44 13 22 o 0.544581 0.253861  -0.602238    0.675398 -0.752242    0.928101 -0.433372    0.984727 0.646186 0.299817  0.719742 0.32432   
1 1 1 44 13 23 o 2.74093  0.129601  7.56035      0.710453 7.88043      0.979063 7.20435      1.03253  2.79097  0.175398  2.66519  0.193707  
1 1 1 44 13 24 o 1.85312  0.196592  3.48758      0.72862  4.11836      1.0032   2.78336      1.05999  2.00393  0.250309  1.60268  0.340901  
1 1 1 44 13 25 o 2.78423  0.137746  7.82567      0.767034 7.82403      1.05818  7.82749      1.11342  2.77206  0.190866  2.76999  0.200979  
1 1 1 44 13 26 o 4.41138  0.107466  19.5867      0.948149 19.7674      1.28515  19.3709      1.40457  4.41973  0.145387  4.36946  0.160726  
1 1 1 44 13 27 o 1.35482  0.290981  1.99701      0.765761 0.97277      1.03409  3.24059      1.13946  1.02628  0.379962  1.71349  0.344611  
1 1 1 44 13 28 o 4.06164  0.11304   16.6423      0.918255 15.6741      1.27649  17.6806      1.32192  3.92342  0.162676  4.16886  0.158547  
1 1 1 44 13 29 f 1.30768  0.320086  1.91017      0.831511 1.32889      1.15342  2.53916      1.19982  1.12906  0.403097  1.48007  0.397024  
1 1 1 44 13 30 o 4.03448  0.118453  16.4761      0.955796 17.6624      1.35202  15.2909      1.35138  4.15521  0.16269   3.85935  0.175078  
1 1 1 44 13 31 o 1.92491  0.225817  3.89684      0.869357 5.39299      1.22178  2.36251      1.23727  2.23995  0.272726  1.39751  0.413828  
1 1 1 44 13 32 o 3.0109   0.153188  9.32499      0.922464 10.5237      1.30079  8.11233      1.30836  3.16387  0.20557   2.75549  0.23741   
1 1 1 44 13 33 o 0.885911 0.343087  0.751377     0.867879 0.763471     1.20994  0.73856      1.24557  0.953747 0.392999  0.955298 0.396597  
1 1 1 44 13 34 o 0.842323 0.336145  0.661502     0.851848 -0.269594    1.18678  1.65103      1.22345  0.754139 0.345557  1.12644  0.413854  
1 1 1 44 13 35 o 1.89231  0.233273  3.96587      0.882851 5.11862      1.29227  2.95695      1.20897  2.07153  0.311912  1.47059  0.400366  
1 1 1 44 13 36 o 1.23986  0.351487  2.11961      0.911626 1.61731      1.29338  2.61554      1.28513  1.03866  0.414292  1.28091  0.427381  
1 1 1 44 13 37 o 0.746104 0.32977   0.395121     0.968436 -1.18617     1.40212  1.83767      1.3392   0.6579   0.32146   1.04004  0.418867  
1 1 1 44 13 38 o 0.881544 0.373846  1.3443       1.14528  -0.511757    1.63678  3.12474      1.60308  0.704938 0.345112  1.12949  0.456878  
1 1 1 44 13 39 o 0.495829 0.249499  -1.81803     1.11539  -3.16405     1.54194  -0.340639    1.61543  ?        ?         0.659725 0.326834  
1 1 1 44 14 0  o 9.35221  0.111275  87.5479      2.08067  87.5479      2.08067  87.5479      2.08067  9.35445  0.0786519 ?        ?         
1 1 1 44 14 1  o 4.61162  0.0720349 21.2767      0.664395 21.3297      0.93823  21.2234      0.940969 4.61632  0.101621  4.60477  0.102173  
1 1 1 44 14 2  o 5.8714   0.0684119 34.4877      0.803347 34.8793      1.13753  34.098       1.13468  5.90343  0.096345  5.83689  0.0971992 
1 1 1 44 14 3  o 4.80324  0.0705762 23.0817      0.677989 22.5651      0.940679 23.6402      0.978056 4.74814  0.0990576 4.85986  0.100626  
1 1 1 44 14 4  o 3.14955  0.0831078 9.92622      0.523504 9.72644      0.72353  10.1457      0.758394 3.11672  0.116072  3.18308  0.119129  
1 1 1 44 14 5  o 8.92518  0.07639   79.706       1.36359  78.9014      1.88228  80.5946      1.9781   8.87763  0.106012  8.97196  0.110238  
1 1 1 44 14 6  o 3.64063  0.0750997 13.2621      0.54682  12.4863      0.756923 14.1089      0.790833 3.53148  0.107168  3.754    0.105332  
1 1 1 44 14 7  o 7.28607  0.0702912 53.1153      1.02429  52.2         1.44149  54.0488      1.45576  7.22106  0.0998112 7.34788  0.0990597 
1 1 1 44 14 8  o 3.81821  0.0762383 14.5883      0.582187 16.0912      0.863021 13.3332      0.788669 4.00875  0.107642  3.64905  0.108065  
1 1 1 44 14 9  o 7.48253  0.0804643 56.0318      1.20415  54.9003      1.83907  56.881       1.59314  7.40259  0.124218  7.53688  0.10569   
1 1 1 44 14 10 o 6.93732  0.0729342 48.1596      1.01193  48.6805      1.48121  47.7037      1.38574  6.97203  0.106225  6.90226  0.100383  
1 1 1 44 14 11 o 5.646    0.0718847 31.9004      0.811723 32.3545      1.16652  31.4741      1.13024  5.68391  0.102616  5.60619  0.100803  
1 1 1 44 14 12 o 4.06376  0.0792979 16.5295      0.644495 16.861       0.956421 16.2538      0.872285 4.10204  0.116579  4.02807  0.108276  
1 1 1 44 14 13 o 3.4009   0.0904064 11.5813      0.614925 10.7889      0.876632 12.3489      0.862804 3.27989  0.133637  3.50979  0.122914  
1 1 1 44 14 14 o 4.52772  0.0826606 20.525       0.748527 20.0905      1.03425  21.003       1.0847   4.47693  0.115509  4.57718  0.11849   
1 1 1 44 14 15 o 2.12317  0.135689  4.52392      0.57618  3.88115      0.812822 5.17313      0.816877 1.96194  0.207148  2.26734  0.18014   
1 1 1 44 14 16 o 5.73425  0.0799587 32.9251      0.917006 32.3207      1.28828  33.5459      1.30558  5.67762  0.113453  5.78432  0.112855  
1 1 1 44 14 17 o 6.25713  0.085204  39.2158      1.06626  39.5581      1.4222   38.7766      1.61129  6.28048  0.113224  6.21535  0.129622  
1 1 1 44 14 18 f 1.90318  0.165742  3.64741      0.630876 2.73899      0.841078 4.81596      0.953928 1.6414   0.256208  2.18136  0.218654  
1 1 1 44 14 19 o 6.51413  0.0849116 42.521       1.10625  42.6428      1.49897  42.3753      1.63939  6.51798  0.114987  6.49503  0.126204  
1 1 1 44 14 20 o 1.30295  0.250478  1.78564      0.629429 1.22344      0.882652 2.36736      0.897837 1.09578  0.354028  1.48986  0.311424  
1 1 1 44 14 21 o 2.38577  0.144913  5.73357      0.691458 5.36649      0.930772 6.18564      1.03292  2.30009  0.202334  2.46819  0.209247  
1 1 1 44 14 22 o 2.65696  0.139834  7.1088       0.743068 6.80069      1.00007  7.48855      1.11026  2.59044  0.193031  2.71611  0.204385  
1 1 1 44 14 23 o 3.81654  0.104081  14.6285      0.79446  13.2451      1.10751  16.0951      1.14028  3.6226   0.152861  3.99574  0.142686  
1 1 1 44 14 24 o 0.75388  0.306745  0.267235     0.72788  -0.249012    1.00439  0.838245     1.05632  0.755524 0.334641  1.00713  0.381523  
1 1 1 44 14 25 o 3.55826  0.110117  12.7398      0.783646 13.4732      1.08033  11.9254      1.13844  3.65014  0.147985  3.42916  0.165994  
1 1 1 44 14 26 o 2.01374  0.194523  4.14431      0.783438 4.41741      1.06848  3.82677      1.15215  2.06184  0.259108  1.90617  0.302214  
1 1 1 44 14 27 o 1.05065  0.32156   1.19096      0.73882  1.30038      1.03082  1.07538      1.05947  1.11575  0.38273   1.0568   0.385427  
1 1 1 44 14 28 o 0.464158 0.228715  -1.58593     0.764744 -1.26902     1.05299  -1.93966     1.11249  0.623984 0.29864   0.583391 0.285353  
1 1 1 44 14 29 o 0.632214 0.288099  -0.42007     0.809176 -1.03549     1.10575  0.289465     1.18729  0.669946 0.315501  0.899213 0.380954  
1 1 1 44 14 30 o 0.497034 0.242672  -1.36622     0.794662 -1.14862     1.10621  -1.59824     1.1423   0.653259 0.310825  0.620837 0.300278  
1 1 1 44 14 31 o 0.834457 0.334543  0.517832     0.84877  -0.465478    1.18117  1.56766      1.22047  0.756843 0.345937  1.16672  0.414838  
1 1 1 44 14 32 o 0.918207 0.349549  0.825447     0.890296 0.206559     1.21104  1.55326      1.3133   0.85989  0.374866  1.1531   0.427939  
1 1 1 44 14 33 o 0.729833 0.315301  0.152244     0.842087 -0.381867    1.15179  0.76558      1.23426  0.740249 0.339708  0.951054 0.394811  
1 1 1 44 14 34 o 0.937589 0.348638  1.01499      0.872509 0.959513     1.1935   1.07868      1.27873  0.958434 0.391847  0.992184 0.405613  
1 1 1 44 14 35 o 0.632741 0.292735  -0.331009    0.876605 -0.0433386   1.28359  -0.582449    1.20004  0.785429 0.359678  0.698595 0.3289    
1 1 1 44 14 36 o 0.776648 0.333803  0.50963      0.934728 -0.690817    1.39688  1.48299      1.25784  0.713088 0.34193   1.00167  0.404898  
1 1 1 44 14 37 o 0.919451 0.364736  1.32905      0.997441 -1.14787     1.41219  3.79477      1.409    0.646301 0.317632  1.43459  0.445088  
1 1 1 44 14 38 o 0.807826 0.356317  0.888742     1.12277  2.55934      1.63076  -0.616818    1.54812  1.04135  0.444007  0.691111 0.337709  
1 1 1 44 15 0  o 6.72738  0.103976  45.3145      1.39822  45.3145      1.39822  45.3145      1.39822  6.7295   0.0734792 ?        ?         
1 1 1 44 15 1  o 3.32818  0.0876303 11.0854      0.583299 10.7359      0.83144  11.4241      0.818531 3.27393  0.126979  3.37748  0.121175  
1 1 1 44 15 2  o 4.69329  0.0714842 22.0385      0.670992 21.8407      0.950834 22.2347      0.94703  4.67095  0.101782  4.71296  0.100471  
1 1 1 44 15 3  o 7.18134  0.0699722 51.5979      1.00499  50.6885      1.37701  52.6344      1.47009  7.11616  0.0967522 7.25112  0.10137   
1 1 1 44 15 4  o 8.06775  0.073555  65.1258      1.18685  63.9067      1.66091  66.3979      1.69657  7.98963  0.103942  8.14384  0.104162  
1 1 1 44 15 5  o 8.96151  0.0782362 80.3619      1.40223  79.8186      1.96752  80.9226      1.99896  8.92828  0.110184  8.98971  0.111181  
1 1 1 44 15 6  o 9.36039  0.0794547 87.6785      1.48745  86.6209      2.12759  88.6897      2.08036  9.30025  0.114383  9.41111  0.110527  
1 1 1 44 15 7  o 4.23941  0.0748043 17.9842      0.634253 18.726       0.95514  17.3992      0.848277 4.32429  0.110439  4.16873  0.101743  
1 1 1 44 15 8  o 7.78232  0.0818772 60.6144      1.27439  63.3788      1.83916  58.0613      1.76749  7.95454  0.115604  7.61348  0.116077  
1 1 1 44 15 9  o 4.72316  0.0865301 22.3303      0.817391 21.5325      1.18389  23.057       1.12993  4.63533  0.127703  4.79738  0.117765  
1 1 1 44 15 10 o 2.91089  0.0994403 8.48501      0.578919 9.06168      0.767928 7.72581      0.881126 3.00682  0.127698  2.77462  0.158783  
1 1 1 44 15 11 o 6.83399  0.0759044 46.7433      1.03746  47.7655      1.53216  45.8778      1.40984  6.90491  0.110947  6.76783  0.104157  
1 1 1 44 15 12 o 3.6073   0.081559  13.0264      0.588415 12.538       0.854183 13.4675      0.811729 3.53675  0.120758  3.66619  0.110705  
1 1 1 44 15 13 o 2.04503  0.130285  4.19457      0.532874 4.72733      0.783692 3.73644      0.726723 2.16802  0.180739  1.92697  0.188566  
1 1 1 44 15 14 o 3.63019  0.0896483 13.1984      0.650881 12.1914      0.894901 14.3293      0.948395 3.48618  0.12835   3.77977  0.125457  
1 1 1 44 15 15 o 2.41152  0.12008   5.8325       0.579153 4.98462      0.823511 6.66225      0.814653 2.22492  0.185065  2.57461  0.158209  
1 1 1 44 15 16 o 2.76573  0.111196  7.66993      0.615075 5.92188      0.878697 9.3493       0.861261 2.42487  0.181185  3.05107  0.141141  
1 1 1 44 15 17 o 3.2154   0.106161  10.3671      0.682701 9.53518      0.950424 11.254       0.981286 3.07902  0.154339  3.34598  0.146637  
1 1 1 44 15 18 o 2.64584  0.125161  7.03072      0.662309 7.3855       0.892767 6.59646      0.987705 2.70759  0.164864  2.55534  0.193263  
1 1 1 44 15 19 o 4.26578  0.0885501 18.2396      0.755471 18.2167      1.04899  18.2642      1.08893  4.25849  0.123164  4.26332  0.127709  
1 1 1 44 15 20 o 0.695412 0.284442  0.191819     0.629181 -0.677692    0.859998 1.19323      0.922925 0.62658  0.289909  1.09037  0.36218   
1 1 1 44 15 21 o 2.0432   0.167609  4.21689      0.684917 4.92311      0.918178 3.33092      1.0284   2.20152  0.208532  1.79863  0.285886  
1 1 1 44 15 22 o 3.62547  0.104206  13.1978      0.755589 13.1137      1.02047  13.2998      1.12417  3.60765  0.141431  3.63045  0.154826  
1 1 1 44 15 23 o 3.36471  0.11894   11.3858      0.800396 12.4727      1.1382   10.3225      1.12576  3.51297  0.162     3.19274  0.176301  
1 1 1 44 15 24 o 0.86427  0.315563  0.660298     0.710365 1.01098      0.939066 0.19119      1.08612  1.02605  0.363977  0.865691 0.365437  
1 1 1 44 15 25 o 1.85597  0.191488  3.51414      0.710794 2.42643      0.959978 4.8341       1.05752  1.48672  0.331412  2.16325  0.244428  
1 1 1 44 15 26 o 3.87026  0.114691  15.0971      0.88777  14.772       1.2504   15.4275      1.26065  3.8127   0.163979  3.89722  0.161738  
1 1 1 44 15 27 o 4.52678  0.104319  20.6407      0.944458 21.1392      1.32598  20.1274      1.34557  4.56564  0.145213  4.45247  0.151103  
1 1 1 44 15 28 o 1.9858   0.200426  4.06263      0.796013 4.1051       1.09705  4.01542      1.15679  1.96945  0.278516  1.94004  0.298136  
1 1 1 44 15 29 o 0.791961 0.32063   0.377663     0.790491 0.198228     1.08538  0.580357     1.15358  0.848099 0.361939  0.944833 0.385588  
1 1 1 44 15 30 o 3.22195  0.144487  10.5844      0.931059 10.7719      1.30934  10.3925      1.32422  3.22025  0.203298  3.15933  0.209572  
1 1 1 44 15 31 o 2.07962  0.205305  4.5376       0.853913 4.52753      1.20438  4.54777      1.21088  2.02586  0.297251  2.02972  0.298288  
1 1 1 44 15 32 o 1.81218  0.246165  3.54509      0.892188 3.52686      1.23551  3.56495      1.28972  1.70537  0.372522  1.70302  0.387299  
1 1 1 44 15 33 o 0.824692 0.33276   0.572605     0.847424 1.13391      1.16776  -0.0518253   1.23167  1.01061  0.396609  0.803414 0.362331  
1 1 1 44 15 34 o 1.37406  0.335848  2.36322      0.91643  3.86187      1.27662  0.769849     1.31635  1.72428  0.3804    0.934633 0.398722  
1 1 1 44 15 35 o 0.996946 0.357629  1.3249       0.90885  0.325276     1.30139  2.27661      1.26981  0.827673 0.372902  1.21719  0.424081  
1 1 1 44 15 36 o 0.726135 0.322904  0.246697     0.947125 -1.18328     1.40015  1.45302      1.286    0.668207 0.3255    0.988859 0.405926  
1 1 1 44 15 37 f 1.03515  0.372918  1.81051      0.989151 2.23151      1.41224  1.40509      1.38587  1.04185  0.426147  0.90306  0.397277  
1 1 1 44 15 38 o 0.684024 0.321151  0.105439     1.12712  1.18219      1.58062  -1.00854     1.60771  0.839996 0.390327  0.662679 0.327752  
1 1 1 44 16 0  o 3.11272  0.124669  9.7436       0.773288 9.7436       0.773288 9.7436       0.773288 3.11712  0.0878666 ?        ?         
1 1 1 44 16 1  f 3.31545  0.0875117 11.0013      0.580281 11.1335      0.832449 10.8764      0.809323 3.33389  0.124846  3.29526  0.122801  
1 1 1 44 16 2  o 1.33999  0.188543  1.80252      0.505293 1.37775      0.701264 2.26119      0.72871  1.14731  0.301616  1.49893  0.243077  
1 1 1 44 16 3  o 4.84895  0.0699036 23.525       0.677918 23.4101      0.92829  23.6563      0.992355 4.83594  0.0959782 4.86098  0.102073  
1 1 1 44 16 4  o 13.758   0.106057  189.522      2.91826  190.522      4.06501  188.458      4.19202  13.7861  0.147431  13.71    0.152882  
1 1 1 44 16 5  o 2.04432  0.110184  4.1851       0.450504 3.83198      0.59059  4.67651      0.696694 1.95497  0.151049  2.15927  0.161326  
1 1 1 44 16 6  o 10.3756  0.0873697 107.751      1.81302  106.808      2.5631   108.696      2.5649   10.3252  0.124119  10.4162  0.123121  
1 1 1 44 16 7  o 6.83687  0.0800069 46.7808      1.09399  49.3523      1.61826  44.6164      1.48464  7.01919  0.115274  6.6743   0.111221  
1 1 1 44 16 8  o 2.92403  0.106956  8.5632       0.625484 7.75478      0.901156 9.31472      0.868864 2.7798   0.16209   3.04782  0.142539  
1 1 1 44 16 9  o 6.20688  0.0770608 38.5578      0.956614 38.7903      1.38997  38.3485      1.31856  6.22267  0.111686  6.18763  0.106548  
1 1 1 44 16 10 f 0.673454 0.275853  0.158088     0.592598 0.534474     0.86735  -0.171427    0.81155  0.890248 0.34335   0.698606 0.305689  
1 1 1 44 16 11 o 10.1109  0.092025  102.369      1.86092  103.23       2.64632  101.526      2.61738  10.1463  0.130408  10.0623  0.130059  
1 1 1 44 16 12 o 3.08667  0.0832529 9.53899      0.513949 9.47792      0.797997 9.58227      0.671842 3.0741   0.129793  3.09234  0.10863   
1 1 1 44 16 13 o 4.20263  0.0754915 17.681       0.634525 18.3502      0.941075 17.1231      0.859211 4.27886  0.109968  4.13381  0.103925  
1 1 1 44 16 14 o 0.914477 0.269803  0.861685     0.526805 1.42228      0.758003 0.337931     0.732673 1.162    0.317316  0.784816 0.3122    
1 1 1 44 16 15 o 1.13063  0.257652  1.34711      0.569836 1.47117      0.834691 1.23883      0.779842 1.18319  0.33662   1.09469  0.329439  
1 1 1 44 16 16 f 2.20773  0.133013  4.89433      0.587315 5.37751      0.867654 4.48571      0.7979   2.3094   0.187852  2.10911  0.189155  
1 1 1 44 16 17 o 3.58839  0.0978016 12.9091      0.7019   12.2877      0.983821 13.5533      1.00169  3.4963   0.140694  3.67251  0.136377  
1 1 1 44 16 18 o 2.12487  0.147051  4.5434       0.62493  4.2324       0.848682 4.91176      0.923636 2.04463  0.207539  2.20234  0.209694  
1 1 1 44 16 19 o 2.91057  0.111153  8.50442      0.64704  8.2899       0.889236 8.74581      0.943256 2.86828  0.155012  2.94535  0.160126  
1 1 1 44 16 20 o 2.5711   0.140221  6.65651      0.721044 6.64097      1.00717  6.67284      1.03273  2.55943  0.196757  2.56475  0.201331  
1 1 1 44 16 21 o 2.13492  0.159191  4.59913      0.679722 4.74093      0.914491 4.42409      1.01605  2.15997  0.211691  2.08108  0.244117  
1 1 1 44 16 22 f 1.4341   0.226192  2.09836      0.648763 1.06533      0.852635 3.51883      0.999822 1.03365  0.348115  1.84919  0.270341  
1 1 1 44 16 23 f 1.86938  0.203507  3.55958      0.760864 4.51245      1.06546  2.56796      1.08691  2.09397  0.254411  1.52974  0.360705  
1 1 1 44 16 24 o 1.8798   0.181813  3.59308      0.683542 3.74176      0.923837 3.41323      1.01608  1.90605  0.242343  1.81155  0.280446  
1 1 1 44 16 25 o 2.21807  0.175956  5.00773      0.780566 6.28524      1.09748  3.69993      1.11041  2.47203  0.221979  1.87656  0.295863  
1 1 1 44 16 26 o 2.49936  0.156738  6.34254      0.783491 5.64843      1.07009  7.14458      1.1503   2.33832  0.228817  2.63359  0.218389  
1 1 1 44 16 27 o 1.74776  0.223649  3.16433      0.781771 1.71982      1.07532  4.78376      1.13857  1.23836  0.389761  2.13348  0.266835  
1 1 1 44 16 28 o 1.25714  0.309558  1.75834      0.774175 2.63718      1.06866  0.78775      1.12306  1.52479  0.35646   0.987533 0.38851   
1 1 1 44 16 29 o 0.761261 0.314754  0.27913      0.779543 0.545421     1.08499  -0.00500782  1.12076  0.916027 0.373909  0.819507 0.358909  
1 1 1 44 16 30 o 0.954894 0.340856  0.9464       0.824697 0.252914     1.16418  1.64495      1.16842  0.869029 0.372984  1.19117  0.407513  
1 1 1 44 16 31 o 2.61345  0.171888  7.07753      0.898437 7.19456      1.25805  6.95571      1.2835   2.59057  0.242812  2.54017  0.252641  
1 1 1 44 16 32 o 0.888617 0.344599  0.757646     0.876161 -0.324999    1.19377  2.0218       1.28997  0.765143 0.349011  1.25427  0.428184  
1 1 1 44 16 33 o 2.19778  0.207035  5.19029      0.910036 5.66523      1.22225  4.59945      1.36323  2.23885  0.272964  1.91395  0.369311  
1 1 1 44 16 34 o 1.00374  0.351801  1.25937      0.874947 1.73079      1.20857  0.740187     1.26831  1.12629  0.41157   0.916643 0.391224  
1 1 1 44 16 35 o 1.08248  0.366712  1.66033      0.946169 1.21932      1.35185  2.08381      1.32473  0.963582 0.407274  1.14242  0.428636  
1 1 1 44 16 36 o 1.45897  0.342596  2.93248      0.983702 2.98073      1.40192  2.88568      1.38065  1.29985  0.446292  1.28276  0.442654  
1 1 1 44 16 37 o 0.89217  0.361346  1.32771      1.00457  0.802369     1.53501  1.72127      1.3286   0.810429 0.379465  0.939432 0.400665  
1 1 1 44 16 38 o 0.976551 0.386936  2.02612      1.12135  1.07316      1.55762  3.05138      1.61562  0.784592 0.371186  1.02171  0.438982  
1 1 1 44 17 0  o 4.27349  0.102207  18.305       0.872434 18.305       0.872434 18.305       0.872434 4.27596  0.0721826 ?        ?         
1 1 1 44 17 1  o 6.01382  0.0692488 36.186       0.832899 35.7962      1.20199  36.546       1.1552   5.9795   0.100509  6.04214  0.0955953 
1 1 1 44 17 2  o 2.20013  0.116033  4.84814      0.510574 5.51655      0.737027 4.2314       0.707969 2.34535  0.157125  2.05347  0.172383  
1 1 1 44 17 3  o 3.81681  0.0775996 14.5785      0.592366 13.8501      0.780316 15.5691      0.910025 3.71913  0.104906  3.94264  0.115408  
1 1 1 44 17 4  o 5.51859  0.070232  30.4732      0.775164 31.4067      1.0808   29.4843      1.11238  5.60098  0.096483  5.42646  0.102496  
1 1 1 44 17 5  o 8.4099   0.0779478 70.781       1.31107  68.9532      1.80004  72.8462      1.91341  8.29761  0.108467  8.52818  0.112182  
1 1 1 44 17 6  o 6.95375  0.0778299 48.3936      1.08242  48.2653      1.5209   48.5252      1.54085  6.94179  0.109546  6.96034  0.110687  
1 1 1 44 17 7  o 5.26255  0.0772475 27.7174      0.813038 28.0092      1.15755  27.4333      1.14222  5.28797  0.109451  5.23335  0.109129  
1 1 1 44 17 8  o 10.0194  0.088413  100.501      1.77169  99.8307      2.5089   101.168      2.50221  9.98011  0.125695  10.047   0.124526  
1 1 1 44 17 9  o 1.48523  0.198547  2.21901      0.589776 1.60282      0.837646 2.82478      0.830539 1.23456  0.331989  1.67287  0.248238  
1 1 1 44 17 10 o 7.31754  0.0825294 53.6051      1.20782  53.6534      1.72139  53.5583      1.69516  7.31662  0.117636  7.31037  0.115942  
1 1 1 44 17 11 o 2.90114  0.10822   8.43375      0.627923 7.69432      0.889807 9.16726      0.886238 2.76761  0.160754  3.02206  0.146628  
1 1 1 44 17 12 o 3.6276   0.0946678 13.1815      0.686834 13.9397      0.991271 12.4814      0.952544 3.72743  0.13297   3.52689  0.13504   
1 1 1 44 17 13 o 7.26666  0.0781591 52.8689      1.13591  52.7335      1.66403  52.9871      1.55441  7.25227  0.114725  7.27095  0.106892  
1 1 1 44 17 14 o 5.70439  0.073291  32.5769      0.83616  31.1316      1.17648  34.0522      1.18863  5.57308  0.10555   5.82909  0.101957  
1 1 1 44 17 15 o 4.61853  0.0835998 21.365       0.772217 20.8749      1.09503  21.85        1.08915  4.56139  0.120033  4.66713  0.116683  
1 1 1 44 17 16 o 6.40393  0.0872086 41.0901      1.11696  39.7118      1.60846  42.3737      1.55226  6.28866  0.127886  6.49773  0.119447  
1 1 1 44 17 17 o 2.40579  0.127561  5.81446      0.61377  5.71539      0.861841 5.91641      0.874297 2.37976  0.181077  2.42131  0.180542  
1 1 1 44 17 18 o 2.2979   0.13648   5.31043      0.627237 5.49995      0.892001 5.12506      0.882176 2.33218  0.191238  2.25067  0.195981  
1 1 1 44 17 19 o 2.19861  0.150672  4.87084      0.662539 6.41897      0.888074 2.92766      0.994951 2.52029  0.176185  1.65915  0.311319  
1 1 1 44 17 20 o 3.35048  0.113132  11.2774      0.758091 11.4419      1.06754  11.11        1.07672  3.3673   0.158516  3.31738  0.162285  
1 1 1 44 17 21 o 1.26865  0.267553  1.71284      0.657682 1.74871      0.896264 1.67099      0.968089 1.27199  0.344019  1.24733  0.365027  
1 1 1 44 17 22 o 3.58039  0.116075  12.8888      0.83119  13.9463      1.11376  11.5594      1.24875  3.71751  0.149799  3.37646  0.18492   
1 1 1 44 17 23 o 2.3935   0.163476  5.80529      0.78256  6.49647      1.0218   4.82471      1.21705  2.52328  0.202474  2.15428  0.282471  
1 1 1 44 17 24 o 3.38703  0.114932  11.5548      0.778557 11.9732      1.03378  11.0064      1.18343  3.43899  0.150302  3.28853  0.179932  
1 1 1 44 17 25 o 4.24106  0.108517  18.1127      0.920456 19.9608      1.29876  16.2477      1.30471  4.43949  0.146273  3.9992   0.163121  
1 1 1 44 17 26 o 2.49342  0.15751   6.3187       0.785474 5.52361      1.05468  7.30895      1.17702  2.31079  0.228207  2.66082  0.221176  
1 1 1 44 17 27 o 1.95038  0.19981   3.91774      0.779411 4.30551      1.07698  3.49132      1.12939  2.02206  0.266308  1.77483  0.330496  
1 1 1 44 17 28 o 2.91354  0.146169  8.63163      0.851738 8.21033      1.1756   9.09712      1.23573  2.81743  0.20863   2.96583  0.208327  
1 1 1 44 17 29 o 0.975834 0.332408  1.00708      0.777426 0.775156     1.08992  1.2473       1.10923  0.96811  0.382142  1.09063  0.394707  
1 1 1 44 17 30 o 2.38311  0.18263   5.89251      0.870457 5.77199      1.24277  6.00858      1.21958  2.30972  0.26903   2.36381  0.257971  
1 1 1 44 17 31 o 2.45328  0.176161  6.25445      0.864344 6.47522      1.19317  6.01067      1.25381  2.45442  0.243066  2.3479   0.267007  
1 1 1 44 17 32 o 1.53186  0.30283   2.73261      0.89477  3.1208       1.25937  2.3369       1.27151  1.55806  0.40169   1.32886  0.424474  
1 1 1 44 17 33 o 0.993077 0.357698  1.19793      0.91002  1.85259      1.22111  0.380188     1.36477  1.16848  0.414997  0.883255 0.390794  
1 1 1 44 17 34 o 1.6629   0.272973  3.21799      0.907853 2.32931      1.28334  4.10823      1.28446  1.24943  0.427082  1.75508  0.37678   
1 1 1 44 17 35 o 0.881056 0.35683   0.961432     0.979558 1.42111      1.43074  0.555838     1.34394  0.989308 0.41861   0.846934 0.3804    
1 1 1 44 17 36 o 1.53009  0.322605  3.2365       0.956393 4.27529      1.42268  2.37997      1.29185  1.56598  0.437537  1.12888  0.423337  
1 1 1 44 17 37 f 0.847695 0.357133  1.11945      1.03394  0.833027     1.50797  1.37357      1.42039  0.815572 0.379854  0.882094 0.393753  
1 1 1 44 18 0  o 4.73732  0.101342  22.4875      0.95919  22.4875      0.95919  22.4875      0.95919  4.73971  0.0715865 ?        ?         
1 1 1 44 18 1  f 3.61808  0.0834198 13.1021      0.603639 13.1528      0.836532 13.0469      0.871916 3.62361  0.115428  3.60871  0.120807  
1 1 1 44 18 2  o 2.51816  0.105172  6.35012      0.529678 6.80354      0.747607 5.89312      0.750556 2.60491  0.1435    2.42384  0.154828  
1 1 1 44 18 3  o 7.34686  0.0725765 54.0136      1.06642  54.5947      1.44553  53.3196      1.57966  7.38418  0.0978804 7.29641  0.108249  
1 1 1 44 18 4  o 6.54487  0.0686027 42.8626      0.897992 43.3693      1.24578  42.3147      1.29559  6.58155  0.094642  6.50061  0.0996512 
1 1 1 44 18 5  o 4.93829  0.0753947 24.406       0.744642 24.1238      1.01874  24.7296      1.09115  4.90793  0.103785  4.96873  0.109801  
1 1 1 44 18 6  o 3.69854  0.0876289 13.6942      0.648197 14.4717      0.943764 12.9998      0.891818 3.79997  0.12418   3.60157  0.12381   
1 1 1 44 18 7  o 2.30389  0.126053  5.32037      0.580827 5.62794      0.844433 5.04419      0.800179 2.36672  0.178397  2.24061  0.178563  
1 1 1 44 18 8  o 5.34507  0.0784452 28.597       0.838591 28.6989      1.1988   28.4993      1.1735   5.3519   0.111998  5.33343  0.110013  
1 1 1 44 18 9  o 3.26883  0.0987735 10.7024      0.645749 10.7844      0.914098 10.6207      0.912358 3.27869  0.1394    3.25364  0.140206  
1 1 1 44 18 10 o 2.62261  0.117421  6.89475      0.615899 6.16766      0.868221 7.63127      0.873831 2.47675  0.175274  2.75636  0.158512  
1 1 1 44 18 11 o 1.76679  0.167819  3.13803      0.593002 3.36817      0.847605 2.91739      0.829939 1.82605  0.232087  1.69855  0.244309  
1 1 1 44 18 12 o 2.84204  0.113567  8.09801      0.645527 8.42772      0.945256 7.80986      0.883677 2.89538  0.163235  2.78765  0.158499  
1 1 1 44 18 13 o 3.81447  0.0930835 14.5766      0.710127 14.6249      1.04051  14.5345      0.971575 3.81687  0.136304  3.80596  0.127638  
1 1 1 44 18 14 f 1.00528  0.246532  1.06507      0.492554 1.79687      0.852975 0.698978     0.603307 1.29976  0.327933  0.860134 0.292827  
1 1 1 44 18 15 o 1.24662  0.224966  1.62104      0.540382 2.04137      0.808589 1.2818       0.726427 1.3873   0.299924  1.10407  0.314006  
1 1 1 44 18 16 o 1.92068  0.149327  3.71187      0.573619 3.06298      0.812103 4.35795      0.810338 1.73712  0.23375   2.07672  0.195101  
1 1 1 44 18 17 o 1.8136   0.159232  3.31404      0.577566 3.30807      0.800105 3.32055      0.834589 1.80569  0.221551  1.80798  0.230807  
1 1 1 44 18 18 o 4.73116  0.0897677 22.4422      0.84941  21.8934      1.16176  23.0725      1.24506  4.66719  0.12446   4.79013  0.129961  
1 1 1 44 18 19 o 3.34471  0.11581   11.2413      0.774701 12.2149      1.08319  10.2218      1.10843  3.47972  0.155643  3.17966  0.1743    
1 1 1 44 18 20 o 3.7898   0.098333  14.413       0.745324 14.6264      1.05062  14.1968      1.05751  3.8112   0.137833  3.75424  0.140843  
1 1 1 44 18 21 f 2.89024  0.121281  8.40237      0.701063 7.97365      0.997757 8.82043      0.985268 2.8061   0.177784  2.95355  0.166794  
1 1 1 44 18 22 o 1.20729  0.301138  1.57585      0.725506 1.92384      1.00098  1.19073      1.05304  1.3251   0.365882  1.10117  0.385948  
1 1 1 44 18 23 o 1.58812  0.218781  2.5836       0.694898 2.50812      0.923052 2.68233      1.05572  1.52072  0.314192  1.56276  0.346913  
1 1 1 44 18 24 o 1.05535  0.325211  1.19262      0.753951 1.10905      1.07532  1.27343      1.0574   1.07354  0.388617  1.11615  0.38717   
1 1 1 44 18 25 o 3.11981  0.128651  9.83319      0.802733 9.42859      1.07485  10.3435      1.20709  3.04095  0.17673   3.18041  0.18977   
1 1 1 44 18 26 o 1.3821   0.286134  2.08528      0.76421  2.52232      1.01421  1.51121      1.16239  1.50017  0.345017  1.18439  0.406407  
1 1 1 44 18 27 o 2.43525  0.164591  6.05252      0.80164  6.88002      1.10518  5.13378      1.16452  2.57831  0.214323  2.20813  0.26369   
1 1 1 44 18 28 o 3.20008  0.135683  10.4044      0.868395 12.2309      1.21503  8.49716      1.24159  3.45128  0.176026  2.85717  0.217277  
1 1 1 44 18 29 o 2.53777  0.165645  6.61563      0.84074  7.16536      1.17717  6.04325      1.20116  2.61218  0.225323  2.38481  0.251837  
1 1 1 44 18 30 o 0.656279 0.296189  -0.246007    0.824527 -1.03742     1.10923  0.731269     1.23262  0.656181 0.311757  0.966537 0.397197  
1 1 1 44 18 31 o 0.826343 0.327401  0.574384     0.802785 -0.471398    1.1176   1.68918      1.15389  0.723531 0.333122  1.17394  0.404715  
1 1 1 44 18 32 f 0.957973 0.347594  1.04758      0.86072  1.56432      1.17767  0.455058     1.26109  1.11376  0.406344  0.888298 0.384832  
1 1 1 44 18 33 o 2.25898  0.213299  5.54648      0.963676 5.61988      1.31002  5.45992      1.42262  2.19172  0.298855  2.12069  0.335416  
1 1 1 44 18 34 o 0.703129 0.312899  0.112246     0.890787 0.612058     1.23291  -0.43362     1.28846  0.860178 0.376581  0.728147 0.342226  
1 1 1 44 18 35 o 0.810705 0.343889  0.666972     0.969476 2.50247      1.42757  -0.904108    1.32075  1.19727  0.445802  0.672637 0.324908  
1 1 1 44 18 36 o 1.29619  0.361475  2.61661      0.971933 1.2834       1.41398  3.81076      1.33819  0.885509 0.394136  1.45304  0.430395  
1 1 1 44 18 37 o 0.878317 0.368644  1.33193      1.09482  0.172124     1.52882  2.5528       1.56856  0.742168 0.356319  1.03033  0.437255  
1 1 1 44 19 0  o 9.72749  0.116733  94.7542      2.2703   94.7542      2.2703   94.7542      2.2703   9.73083  0.0825008 ?        ?         
1 1 1 44 19 1  o 3.18543  0.0922061 10.159       0.587433 10.5682      0.826477 9.74119      0.835102 3.24721  0.127259  3.11719  0.133951  
1 1 1 44 19 2  o 5.85283  0.0725169 34.2808      0.848858 33.1959      1.20947  35.3341      1.19166  5.75712  0.105041  5.94005  0.100307  
1 1 1 44 19 3  o 2.35138  0.10366   5.53741      0.487486 5.97016      0.660275 5.01885      0.722775 2.44021  0.135291  2.23612  0.161614  
1 1 1 44 19 4  o 2.92519  0.0807386 8.56479      0.472351 9.06236      0.650334 8.00921      0.6872   3.00782  0.108107  2.82702  0.121542  
1 1 1 44 19 5  o 8.36238  0.0819466 69.9989      1.37054  69.5027      1.89192  70.5469      1.98812  8.3288   0.113577  8.39042  0.118476  
1 1 1 44 19 6  o 3.44853  0.091482  11.9075      0.630956 11.5964      0.906286 12.2002      0.878955 3.40068  0.13325   3.4886   0.125975  
1 1 1 44 19 7  o 5.35009  0.0775932 28.6511      0.830262 28.5003      1.1616   28.8086      1.18716  5.33346  0.108897  5.36206  0.1107    
1 1 1 44 19 8  o 7.41544  0.0815158 55.0505      1.20895  53.8768      1.6618   56.3699      1.76203  7.33207  0.113324  7.49918  0.117481  
1 1 1 44 19 9  o 4.81569  0.0824761 23.2191      0.794358 23.7138      1.15907  22.7809      1.09082  4.86347  0.119161  4.76733  0.114405  
1 1 1 44 19 10 o 1.37507  0.217766  1.90784      0.598887 1.37494      0.869869 2.38806      0.82576  1.15369  0.348084  1.51012  0.283848  
1 1 1 44 19 11 o 7.42546  0.0820026 55.2118      1.21781  55.7658      1.75283  54.6949      1.69321  7.45737  0.117524  7.38591  0.114625  
1 1 1 44 19 12 o 2.70004  0.115474  7.31059      0.623566 6.23022      0.90368  8.29256      0.861541 2.48752  0.181643  2.87297  0.149939  
1 1 1 44 19 13 o 4.11467  0.0873301 16.9595      0.718669 15.8501      1.03578  17.9894      0.997981 3.97368  0.13033   4.23482  0.11783   
1 1 1 44 19 14 o 5.75747  0.0839761 33.2058      0.966979 32.9835      1.31992  33.4634      1.42066  5.73382  0.1151    5.77405  0.123021  
1 1 1 44 19 15 o 4.37993  0.0784038 19.2161      0.686807 18.6583      0.968461 19.7805      0.974146 4.31215  0.112295  4.44029  0.109694  
1 1 1 44 19 16 o 0.672714 0.269604  0.231831     0.550967 0.753075     0.813438 -0.210013    0.748924 0.931338 0.337914  0.656586 0.290128  
1 1 1 44 19 17 o 1.47801  0.20443   2.21334      0.604299 3.5767       0.861516 0.892857     0.847862 1.87551  0.229675  0.981509 0.346085  
1 1 1 44 19 18 o 0.655683 0.280451  0.000280076  0.654247 1.00702      0.942009 -0.937856    0.909346 1.03469  0.364798  0.61184  0.287545  
1 1 1 44 19 19 o 4.68963  0.0954744 22.0644      0.895479 20.8738      1.2207   23.4516      1.31764  4.55403  0.134025  4.82646  0.136502  
1 1 1 44 19 20 o 2.29704  0.142581  5.31827      0.655027 4.96688      0.898022 5.71779      0.957536 2.21091  0.203089  2.37239  0.201808  
1 1 1 44 19 21 o 2.98958  0.116452  8.98744      0.696285 9.16185      0.979694 8.80941      0.989777 3.01034  0.162722  2.95087  0.167709  
1 1 1 44 19 22 o 1.92991  0.193483  3.7944       0.74681  2.93367      0.991525 4.92288      1.13532  1.64951  0.311913  2.18225  0.260126  
1 1 1 44 19 23 o 0.649527 0.281679  -0.049367    0.676938 0.445147     0.934484 -0.595392    0.981949 0.868416 0.349835  0.686421 0.314443  
1 1 1 44 19 24 o 3.2787   0.121354  10.8442      0.795766 12.3577      1.11232  9.25735      1.13892  3.48898  0.159404  3.01059  0.189152  
1 1 1 44 19 25 o 3.36912  0.120468  11.459       0.811744 12.0251      1.10532  10.7962      1.19599  3.43859  0.160723  3.24971  0.184015  
1 1 1 44 19 26 o 1.95137  0.197821  3.91925      0.772045 3.69353      1.05184  4.18289      1.13678  1.86744  0.281625  1.98546  0.286275  
1 1 1 44 19 27 o 1.71873  0.227632  3.07207      0.782475 3.74868      1.07731  2.31655      1.13839  1.87739  0.286916  1.41585  0.389859  
1 1 1 44 19 28 o 1.00496  0.332067  1.09118      0.775834 2.27056      1.0625   -0.255879    1.13552  1.39743  0.373054  0.78218  0.350528  
1 1 1 44 19 29 o 2.4504   0.170338  6.19392      0.834791 6.38897      1.14981  5.97649      1.21394  2.45543  0.234136  2.36123  0.257057  
1 1 1 44 19 30 o 2.75691  0.16377   7.85401      0.903001 7.38236      1.20073  8.46804      1.37002  2.63327  0.227992  2.80793  0.243956  
1 1 1 44 19 31 o 0.514545 0.250469  -1.23633     0.823616 -1.55826     1.12652  -0.866637    1.2072   0.60263  0.293216  0.699203 0.329389  
1 1 1 44 19 32 o 1.21901  0.343969  1.86863      0.875027 2.95857      1.23241  0.760585     1.24261  1.48446  0.404268  0.928675 0.391395  
1 1 1 44 19 33 o 1.29679  0.326349  2.10921      0.84638  2.42212      1.14879  1.73771      1.25176  1.32175  0.400262  1.12107  0.417445  
1 1 1 44 19 34 o 0.719084 0.316543  0.249275     0.880976 -0.741675    1.18238  1.48595      1.32087  0.661501 0.316563  1.01064  0.412547  
1 1 1 44 19 35 o 0.829249 0.346923  0.801521     0.964502 -0.572994    1.43433  1.93607      1.30312  0.718921 0.345151  1.07105  0.419243  
1 1 1 44 19 36 o 0.465753 0.234354  -1.99719     0.969567 -1.32574     1.41526  -2.59103     1.33097  0.618252 0.306198  0.529808 0.267211  
1 1 1 44 19 37 o 0.605113 0.292622  -0.381522    1.083    -0.0927306   1.45603  -0.739149    1.6203   0.682022 0.332177  0.656085 0.325549  
1 1 1 44 20 0  o 12.834   0.139229  165.007      3.5728   165.007      3.5728   165.007      3.5728   12.8397  0.0983931 ?        ?         
1 1 1 44 20 1  o 4.27062  0.0755004 18.2537      0.644867 18.3579      0.918465 18.1523      0.90563  4.28092  0.107274  4.25694  0.106371  
1 1 1 44 20 2  o 2.48692  0.107606  6.19548      0.535212 6.02844      0.765    6.35562      0.749059 2.45077  0.156073  2.51682  0.148811  
1 1 1 44 20 3  o 4.09344  0.0745667 16.7704      0.610468 16.9918      0.85498  16.5401      0.871935 4.1187   0.103792  4.06336  0.107292  
1 1 1 44 20 4  o 2.04079  0.112077  4.17296      0.457449 3.67381      0.59064  4.92119      0.72315  1.91313  0.154365  2.21373  0.163333  
1 1 1 44 20 5  o 3.59466  0.0912977 12.9389      0.656369 12.883       0.945094 12.9911      0.912268 3.58423  0.131841  3.59962  0.126717  
1 1 1 44 20 6  o 5.08172  0.0781438 25.8503      0.79421  25.4144      1.12719  26.2801      1.11922  5.03594  0.111915  5.12125  0.109272  
1 1 1 44 20 7  o 2.24684  0.133418  5.06408      0.599539 3.94065      0.849688 6.17797      0.846077 1.97706  0.214887  2.47918  0.170636  
1 1 1 44 20 8  o 2.37522  0.127704  5.65858      0.606648 5.2925       0.89554  5.96903      0.824693 2.2925   0.19532   2.43674  0.169221  
1 1 1 44 20 9  o 2.47922  0.121901  6.16424      0.604442 6.32312      0.896184 6.03165      0.818682 2.50684  0.178748  2.44933  0.167124  
1 1 1 44 20 10 o 6.89865  0.0813716 47.6551      1.12271  49.1247      1.57527  46.138       1.60052  6.99998  0.11252   6.783    0.117981  
1 1 1 44 20 11 o 4.85501  0.0851615 23.6072      0.82692  24.1608      1.1876   23.0861      1.15209  4.90786  0.12099   4.79758  0.12007   
1 1 1 44 20 12 o 3.13198  0.103246  9.83284      0.646729 9.90295      0.921784 9.76487      0.907607 3.13932  0.146813  3.11749  0.145567  
1 1 1 44 20 13 o 2.94338  0.109376  8.68884      0.643871 7.49654      0.913112 9.86796      0.908052 2.72868  0.167318  3.13331  0.144903  
1 1 1 44 20 14 o 2.44346  0.129653  5.99764      0.633604 4.9492       0.896458 7.04419      0.895645 2.21254  0.202586  2.64394  0.169377  
1 1 1 44 20 15 o 1.88974  0.159844  3.59757      0.604129 4.1268       0.768179 2.73959      0.978089 2.02098  0.190051  1.60659  0.315648  
1 1 1 44 20 16 o 1.41107  0.199324  2.01569      0.562521 2.14151      0.874403 1.92685      0.734747 1.41469  0.316956  1.34735  0.28179   
1 1 1 44 20 17 o 0.766519 0.28677   0.464298     0.592108 0.0993011    0.836997 0.829941     0.837739 0.761025 0.321005  0.958546 0.343402  
1 1 1 44 20 18 o 1.10277  0.280294  1.29806      0.619718 0.872015     0.932163 1.63551      0.829601 0.992807 0.361585  1.23306  0.329853  
1 1 1 44 20 19 f 5.56623  0.0910113 31.0792      1.01318  27.9413      1.41393  34.3909      1.45256  5.26808  0.134197  5.84738  0.124206  
1 1 1 44 20 20 o 3.59268  0.107221  12.9668      0.770419 11.9246      1.09399  13.9922      1.08513  3.43567  0.159211  3.7247   0.145668  
1 1 1 44 20 21 o 1.5789   0.223953  2.5529       0.707197 2.68964      0.998271 2.41513      1.00199  1.57369  0.327959  1.48542  0.343806  
1 1 1 44 20 22 o 3.4958   0.11262   12.3007      0.787395 13.0325      1.11554  11.5742      1.11156  3.58766  0.15547   3.37848  0.164506  
1 1 1 44 20 23 o 2.76973  0.13434   7.75152      0.744168 8.35994      1.01137  7.03324      1.09889  2.86557  0.176469  2.61878  0.209811  
1 1 1 44 20 24 o 1.67055  0.214006  2.87028      0.715015 1.95799      0.982422 3.89781      1.04263  1.32292  0.361243  1.93049  0.270042  
1 1 1 44 20 25 o 3.4035   0.122703  11.7068      0.835238 12.0988      1.14857  11.2668      1.21679  3.4448   0.166711  3.31755  0.183387  
1 1 1 44 20 26 o 1.20575  0.312535  1.6182       0.759729 0.703196     1.03233  2.69927      1.12211  0.946361 0.372432  1.53756  0.369038  
1 1 1 44 20 27 o 1.20484  0.315994  1.63175      0.770867 1.51838      1.05563  1.76128      1.12834  1.16543  0.387344  1.24017  0.400239  
1 1 1 44 20 28 o 0.992257 0.332984  1.06553      0.780126 2.50059      1.05672  -0.653531    1.15656  1.46508  0.362216  0.729181 0.336929  
1 1 1 44 20 29 o 1.38942  0.300658  2.20002      0.811859 2.38737      1.09875  1.97474      1.20485  1.40335  0.381511  1.26963  0.413817  
1 1 1 44 20 30 o 1.59626  0.254122  2.76273      0.811292 3.66915      1.10855  1.71733      1.19051  1.77942  0.323432  1.18472  0.41083   
1 1 1 44 20 31 o 0.641796 0.292678  -0.300261    0.838412 -0.334237    1.15256  -0.262076    1.22186  0.74334  0.34058   0.773352 0.352846  
1 1 1 44 20 32 o 0.66609  0.300052  -0.111153    0.842232 -0.555391    1.16229  0.380032     1.22216  0.704603 0.329964  0.854112 0.374423  
1 1 1 44 20 33 o 1.11187  0.357672  1.66296      0.90163  2.42625      1.33745  1.0271       1.22072  1.25635  0.435468  0.943093 0.392143  
1 1 1 44 20 34 f 0.517808 0.255119  -1.48269     0.950732 -1.5719      1.33371  -1.39053     1.35564  0.624941 0.307632  0.64392  0.314968  
1 1 1 44 20 35 o 0.562487 0.272221  -0.780508    0.944261 -0.510839    1.2958   -1.08584     1.37883  0.675052 0.325054  0.644375 0.315776  
1 1 1 44 20 36 o 0.806493 0.348533  0.908435     1.02959  0.19783      1.42485  1.68488      1.48941  0.743298 0.353237  0.924704 0.408803  
1 1 1 44 20 37 o 0.941751 0.387195  2.07433      1.17187  3.07966      1.66474  1.08682      1.64992  0.967427 0.429366  0.75896  0.365783  
1 1 1 44 21 0  o 8.52619  0.109712  72.8027      1.87016  72.8027      1.87016  72.8027      1.87016  8.5293   0.0775356 ?        ?         
1 1 1 44 21 1  o 3.73778  0.0810086 13.9859      0.605585 13.9547      0.855169 14.0172      0.857688 3.73159  0.114585  3.73993  0.114666  
1 1 1 44 21 2  o 2.85434  0.0962234 8.15964      0.549309 7.64692      0.772869 8.68303      0.780874 2.76084  0.13997   2.94242  0.132693  
1 1 1 44 21 3  o 10.5794  0.0853542 112.06       1.806    111.1        2.47535  113.153      2.64081  10.5282  0.117558  10.6235  0.12429   
1 1 1 44 21 4  o 2.36742  0.1199    5.61849      0.567709 5.48623      0.800233 5.75251      0.805516 2.33636  0.171256  2.3926   0.168335  
1 1 1 44 21 5  o 2.65945  0.113208  7.08871      0.602143 6.6259       0.83438  7.59171      0.869844 2.56807  0.162453  2.7492   0.1582    
1 1 1 44 21 6  o 2.62055  0.113465  6.88346      0.594682 6.73258      0.842478 7.03329      0.839544 2.58844  0.162738  2.64594  0.158648  
1 1 1 44 21 7  o 5.54749  0.0759348 30.8084      0.842494 30.186       1.19409  31.4253      1.18886  5.488    0.108791  5.59982  0.106152  
1 1 1 44 21 8  o 4.19317  0.0836525 17.6071      0.701539 16.8168      0.996121 18.3849      0.988179 4.09484  0.121631  4.28212  0.115384  
1 1 1 44 21 9  o 1.99198  0.144412  3.98494      0.57533  3.87746      0.827248 4.08563      0.800682 1.96025  0.211006  2.01319  0.198859  
1 1 1 44 21 10 o 6.46838  0.0804382 41.8976      1.04061  41.9635      1.41507  41.82        1.5356   6.46975  0.10936   6.4572   0.118906  
1 1 1 44 21 11 o 3.4348   0.0955277 11.8223      0.656237 11.0807      0.937495 12.5348      0.918902 3.32128  0.141135  3.5337   0.13002   
1 1 1 44 21 12 o 8.00027  0.0849148 64.1175      1.35868  62.2821      1.91474  65.9789      1.92826  7.87766  0.12153   8.10871  0.118901  
1 1 1 44 21 13 o 3.09765  0.111417  9.62751      0.69026  9.17039      0.950919 10.1366      1.00356  3.01827  0.157527  3.17322  0.158129  
1 1 1 44 21 14 o 4.83617  0.0905283 23.4437      0.87562  23.9469      1.23694  22.9383      1.23969  4.88237  0.126674  4.77791  0.129731  
1 1 1 44 21 15 o 2.50835  0.133065  6.32602      0.667547 5.42979      0.868354 7.62093      1.04378  2.31771  0.187331  2.74537  0.190097  
1 1 1 44 21 16 o 3.5354   0.0886356 12.5317      0.626724 14.13        1.0741   11.7066      0.771713 3.74606  0.143363  3.41416  0.113017  
1 1 1 44 21 17 o 3.31927  0.0971306 11.055       0.644805 11.2279      0.947499 10.9059      0.88002  3.33863  0.141899  3.29176  0.13367   
1 1 1 44 21 18 o 3.80937  0.0983966 14.5624      0.749657 16.3627      1.19656  13.3992      0.961822 4.0288   0.148501  3.64887  0.131797  
1 1 1 44 21 19 o 4.24335  0.0936962 18.0688      0.795172 18.2674      1.14261  17.8823      1.10731  4.2588   0.134147  4.21429  0.131375  
1 1 1 44 21 20 o 0.933071 0.305531  0.880534     0.656792 0.726352     0.965615 1.01328      0.895978 0.955576 0.363959  1.02203  0.356214  
1 1 1 44 21 21 o 0.508556 0.243984  -0.973482    0.713573 -0.393033    1.03308  -1.5031      0.986803 0.740265 0.332953  0.577408 0.279241  
1 1 1 44 21 22 o 1.36486  0.259601  1.99057      0.683084 1.82981      0.976419 2.14467      0.95596  1.28545  0.363557  1.39205  0.344731  
1 1 1 44 21 23 o 3.73397  0.113591  14.0506      0.848293 14.3203      1.18958  13.7716      1.21001  3.75592  0.158361  3.68115  0.164353  
1 1 1 44 21 24 o 1.19549  0.304928  1.57297      0.731518 0.675326     1.00789  2.57217      1.06338  0.93947  0.368509  1.51392  0.356653  
1 1 1 44 21 25 o 2.08115  0.188444  4.4462       0.784358 4.43758      1.09165  4.45539      1.12773  2.05313  0.26585   2.05384  0.274541  
1 1 1 44 21 26 o 2.33248  0.170925  5.56296      0.797358 6.20501      1.11836  4.89917      1.13714  2.44207  0.228978  2.15632  0.263677  
1 1 1 44 21 27 o 1.30778  0.306257  1.91624      0.787773 1.31302      1.08881  2.57889      1.14119  1.10651  0.391985  1.48562  0.382004  
1 1 1 44 21 28 o 1.96607  0.216824  4.05946      0.852582 3.50031      1.16006  4.71623      1.25726  1.74216  0.345212  2.0724   0.303334  
1 1 1 44 21 29 o 1.79136  0.229926  3.4181       0.823761 3.25953      1.12189  3.60361      1.21344  1.66325  0.348457  1.74254  0.360403  
1 1 1 44 21 30 o 0.645401 0.291346  -0.213097    0.79824  -0.734736    1.07974  0.415652     1.18542  0.673498 0.315869  0.880503 0.377087  
1 1 1 44 21 31 o 1.15366  0.340786  1.6514       0.839971 1.05947      1.13883  2.35759      1.24391  0.98208  0.389684  1.31502  0.41982   
1 1 1 44 21 32 o 0.663733 0.296764  -0.0507392   0.809768 0.104687     1.12832  -0.215817    1.16283  0.783609 0.350336  0.745709 0.341844  
1 1 1 44 21 33 o 0.943648 0.362396  1.16339      0.963834 2.52984      1.3729   -0.164608    1.35345  1.24959  0.440414  0.768909 0.358795  
1 1 1 44 21 34 o 1.06246  0.37449   1.6826       0.992664 2.33033      1.34198  0.899956     1.47513  1.16999  0.43291   0.899891 0.401494  
1 1 1 44 21 35 o 1.38114  0.367734  2.99491      1.03412  1.77856      1.4306   4.32605      1.49658  0.955752 0.411909  1.48537  0.458282  
1 1 1 44 21 36 o 1.26951  0.406942  3.00107      1.16789  4.49752      1.80267  1.91863      1.53316  1.28963  0.49551   0.934178 0.413651  
1 1 1 44 22 0  o 3.45976  0.133339  12.042       0.919529 12.042       0.919529 12.042       0.919529 3.46497  0.0939817 ?        ?         
1 1 1 44 22 1  o 4.97481  0.0731973 24.7724      0.728285 24.8705      1.00891  24.6656      1.05236  4.98246  0.101247  4.96146  0.106054  
1 1 1 44 22 2  o 7.74994  0.0773605 60.1263      1.19908  60.3746      1.74909  59.9061      1.64702  7.76121  0.112681  7.73198  0.106507  
1 1 1 44 22 3  o 5.97747  0.0679472 35.7602      0.812304 36.6272      1.14664  34.8868      1.15091  6.04706  0.0948101 5.90137  0.0975122 
1 1 1 44 22 4  o 4.6241   0.0777273 21.4064      0.718838 21.2415      1.01374  21.5733      1.01947  4.60363  0.110102  4.63948  0.109869  
1 1 1 44 22 5  o 1.79293  0.160265  3.23043      0.574686 3.44643      0.818144 3.02005      0.807419 1.84779  0.221385  1.72881  0.233519  
1 1 1 44 22 6  o 3.70506  0.088743  13.7488      0.657596 14.5132      0.956569 13.064       0.905493 3.80368  0.125743  3.60881  0.125456  
1 1 1 44 22 7  o 8.70518  0.0818235 75.8833      1.42458  73.9577      1.98298  77.9369      2.0479   8.58831  0.115447  8.81618  0.116144  
1 1 1 44 22 8  o 5.24201  0.0770737 27.5128      0.808043 28.1837      1.15443  26.8683      1.13141  5.30232  0.108861  5.17706  0.109271  
1 1 1 44 22 9  o 1.44677  0.193724  2.11029      0.560549 0.786399     0.800746 3.3825       0.784961 0.942121 0.335913  1.83006  0.214464  
1 1 1 44 22 10 f 4.19428  0.0870467 17.6229      0.730197 16.3469      1.01333  19.001       1.05313  4.03579  0.125543  4.35166  0.121003  
1 1 1 44 22 11 o 3.37324  0.100989  11.4076      0.681317 10.0579      0.927579 12.9889      1.00401  3.163    0.14663   3.59533  0.139627  
1 1 1 44 22 12 o 6.0357   0.0847946 36.5008      1.02359  36.4255      1.44005  36.5777      1.45522  6.02379  0.11953   6.03616  0.120541  
1 1 1 44 22 13 o 3.52244  0.103089  12.4455      0.726249 12.8117      1.03252  12.087       1.02171  3.56869  0.144664  3.46589  0.147395  
1 1 1 44 22 14 o 3.00399  0.115569  9.0608       0.694335 8.77246      0.929229 9.42531      1.04477  2.95066  0.157461  3.05644  0.170913  
1 1 1 44 22 15 o 1.51793  0.204729  2.3358       0.621531 1.46217      0.864048 3.27253      0.89471  1.17451  0.34522   1.79053  0.249845  
1 1 1 44 22 16 o 2.91125  0.120042  8.51952      0.698946 9.11119      1.01445  7.98483      0.964368 3.00296  0.168909  2.81076  0.171549  
1 1 1 44 22 17 o 3.66889  0.0960442 13.5051      0.704752 14.598       1.12249  12.794       0.905459 3.80583  0.14747   3.56651  0.126939  
1 1 1 44 22 18 o 1.27669  0.240895  1.71843      0.592615 2.5455       0.912738 1.11569      0.779186 1.54266  0.306725  1.03996  0.332296  
1 1 1 44 22 19 o 1.92182  0.164279  3.73403      0.631431 4.47179      0.91826  3.07228      0.869675 2.094    0.219259  1.7304   0.251292  
1 1 1 44 22 20 o 2.71755  0.137218  7.45442      0.745794 8.11558      1.09382  6.88003      1.01952  2.82265  0.193757  2.59832  0.196189  
1 1 1 44 22 21 o 2.50313  0.147932  6.33882      0.740586 5.76753      1.04992  6.90455      1.04479  2.37066  0.22144   2.5997   0.200945  
1 1 1 44 22 22 o 1.12338  0.301994  1.37526      0.693258 1.00147      0.979177 1.75094      0.981657 1.02539  0.370871  1.25808  0.367385  
1 1 1 44 22 23 o 1.28244  0.286838  1.7918       0.717122 0.726929     1.00002  2.91911      1.02892  0.951947 0.368359  1.62952  0.327235  
1 1 1 44 22 24 o 4.23371  0.108999  18.0763      0.922943 18.4915      1.29811  17.652       1.31248  4.26512  0.152178  4.16474  0.15757   
1 1 1 44 22 25 o 1.61117  0.248061  2.71721      0.799337 2.73286      1.14594  2.70239      1.11554  1.5448   0.374301  1.53932  0.367006  
1 1 1 44 22 26 o 2.70504  0.149515  7.45676      0.808888 6.49296      1.11597  8.52364      1.17413  2.49563  0.223584  2.86889  0.204631  
1 1 1 44 22 27 o 2.35068  0.176562  5.69         0.830082 6.25032      1.14287  5.06437      1.20764  2.43712  0.234471  2.17195  0.278008  
1 1 1 44 22 28 o 1.89477  0.217907  3.78789      0.825767 4.88594      1.13711  2.56268      1.20114  2.12379  0.267707  1.44336  0.401625  
1 1 1 44 22 29 o 0.541602 0.258669  -0.85739     0.779502 -1.9782      1.06585  0.43144      1.14295  0.54924  0.27049   0.880726 0.37348   
1 1 1 44 22 30 o 1.02252  0.344721  1.23881      0.836091 2.31474      1.14041  -0.0116193   1.22942  1.33969  0.397421  0.813026 0.364533  
1 1 1 44 22 31 o 1.6204   0.263682  2.96254      0.854544 3.88164      1.23392  2.11545      1.1846   1.75058  0.364465  1.2436   0.410324  
1 1 1 44 22 32 o 0.562584 0.269354  -0.812243    0.85861  0.275144     1.22757  -1.85371     1.20137  0.820716 0.366212  0.584003 0.287617  
1 1 1 44 22 33 f 0.731704 0.324816  0.246124     0.953396 0.787781     1.30136  -0.381408    1.40073  0.879134 0.385872  0.744957 0.352228  
1 1 1 44 22 34 o 0.702651 0.318832  0.172334     0.968216 0.850804     1.28975  -0.703728    1.46557  0.855424 0.379009  0.703974 0.340425  
1 1 1 44 22 35 o 1.03005  0.379653  1.90761      1.0303   2.71484      1.46756  1.12305      1.4468   1.09176  0.438984  0.841978 0.384103  
1 1 1 44 22 36 o 1.29938  0.407371  3.39397      1.17621  1.5327       1.80175  4.77631      1.55273  0.812758 0.389387  1.377    0.469774  
1 1 1 44 23 0  o 3.00654  0.138324  9.11309      0.827742 9.11309      0.827742 9.11309      0.827742 3.01271  0.0973693 ?        ?         
1 1 1 44 23 1  f 7.77874  0.0743867 60.5738      1.15727  58.3272      1.58758  63.1211      1.69052  7.62923  0.104046  7.93616  0.106507  
1 1 1 44 23 2  o 3.86339  0.0835454 14.9462      0.645537 15.1612      0.895023 14.7131      0.931952 3.88871  0.11508   3.83022  0.121658  
1 1 1 44 23 3  o 6.54047  0.0702853 42.8197      0.919398 40.1859      1.23735  46.0662      1.37378  6.33326  0.0976866 6.78034  0.101306  
1 1 1 44 23 4  o 3.38141  0.0952258 11.4548      0.643995 11.3397      0.917219 11.5666      0.90441  3.3612   0.136442  3.39495  0.133199  
1 1 1 44 23 5  o 1.40585  0.209989  1.99422      0.590426 2.01441      0.822262 1.97274      0.848325 1.37974  0.306056  1.36422  0.316732  
1 1 1 44 23 6  o 5.56409  0.0769401 30.9973      0.856203 31.3846      1.19672  30.5912      1.22551  5.59557  0.106934  5.52389  0.110928  
1 1 1 44 23 7  o 6.09872  0.0773695 37.2422      0.94371  36.1069      1.29768  38.5167      1.37488  6.00141  0.108114  6.19805  0.110912  
1 1 1 44 23 8  o 4.01166  0.0882363 16.1216      0.707948 15.745       1.00875  16.4872      0.993794 3.96079  0.127342  4.05362  0.122581  
1 1 1 44 23 9  o 2.8932   0.110992  8.39514      0.642243 7.45009      0.917045 9.30484      0.899738 2.72031  0.168555  3.04249  0.147862  
1 1 1 44 23 10 o 4.27412  0.0915462 18.3071      0.782559 17.6844      1.13157  18.8779      1.08341  4.19562  0.134852  4.33629  0.124923  
1 1 1 44 23 11 o 2.42974  0.133156  5.93247      0.647068 5.70532      0.915995 6.15873      0.914192 2.37657  0.192713  2.47017  0.185046  
1 1 1 44 23 12 o 5.83474  0.0839905 34.1137      0.980126 33.1768      1.37093  35.0933      1.4018   5.7482   0.119249  5.91203  0.118555  
1 1 1 44 23 13 o 1.19812  0.252079  1.51695      0.584992 1.33687      0.818576 1.70493      0.836317 1.12846  0.337102  1.26166  0.328322  
1 1 1 44 23 14 o 3.64753  0.0952856 13.3439      0.695114 12.8834      0.958366 13.855       1.00972  3.57875  0.133897  3.71088  0.136049  
1 1 1 44 23 15 o 1.30164  0.245223  1.78413      0.61499  1.10906      0.858419 2.49598      0.881495 1.05118  0.349294  1.53148  0.298441  
1 1 1 44 23 16 o 2.0705   0.161337  4.32692      0.668098 3.8974       0.962876 4.7257       0.927767 1.95285  0.246531  2.1559   0.215169  
1 1 1 44 23 17 o 1.93637  0.140086  3.77781      0.542517 3.85283      0.908572 3.73625      0.676321 1.94249  0.233868  1.9215   0.175988  
1 1 1 44 23 18 o 1.40926  0.203311  2.01898      0.573037 2.45699      0.855627 1.66273      0.771656 1.5182   0.292217  1.24146  0.31112   
1 1 1 44 23 19 o 0.975762 0.297326  1.0024       0.632586 1.97486      0.946204 0.216469     0.850633 1.34179  0.34925   0.7882   0.327517  
1 1 1 44 23 20 o 3.21599  0.119895  10.4186      0.771161 10.7156      1.101    10.1326      1.08047  3.24967  0.169401  3.15961  0.170981  
1 1 1 44 23 21 o 2.30446  0.154319  5.38303      0.711243 6.04995      1.05645  4.83017      0.961885 2.4268   0.217664  2.16726  0.221912  
1 1 1 44 23 22 o 0.968505 0.314809  0.978007     0.697289 0.131285     0.946468 1.98313      1.0312   0.7984   0.339271  1.33065  0.372741  
1 1 1 44 23 23 o 2.8218   0.134114  8.05865      0.756886 7.85215      1.05666  8.27625      1.08469  2.7685   0.190836  2.84229  0.190812  
1 1 1 44 23 24 o 4.55319  0.10323   20.8972      0.940047 19.8285      1.28844  22.1136      1.3746   4.41788  0.145821  4.66475  0.147339  
1 1 1 44 23 25 f 2.24685  0.183012  5.17964      0.822404 4.63324      1.14158  5.76916      1.18579  2.09285  0.272734  2.34434  0.252904  
1 1 1 44 23 26 o 0.653722 0.29127   -0.195546    0.774017 -0.435927    1.07843  0.0598382    1.11157  0.734887 0.334271  0.827224 0.359878  
1 1 1 44 23 27 o 2.43682  0.174529  6.13067      0.850592 7.64605      1.18842  4.53901      1.21796  2.69643  0.220369  2.03588  0.299124  
1 1 1 44 23 28 o 0.810661 0.32073   0.53192      0.769392 0.69604      1.06141  0.350196     1.11688  0.921402 0.372151  0.862669 0.367624  
1 1 1 44 23 29 o 0.897082 0.333029  0.831126     0.795484 1.88721      1.08464  -0.398153    1.1702   1.22979  0.391963  0.748706 0.343096  
1 1 1 44 23 30 o 1.00805  0.344499  1.21882      0.835014 1.53981      1.16726  0.882399     1.195    1.10381  0.404365  0.953991 0.391405  
1 1 1 44 23 31 o 1.65702  0.256426  3.09188      0.849806 2.13602      1.12892  4.34175      1.29092  1.25088  0.400006  1.85126  0.361558  
1 1 1 44 23 32 o 0.908297 0.351508  1.0151       0.910672 1.83682      1.25559  0.103058     1.3228   1.10893  0.417058  0.801263 0.366178  
1 1 1 44 23 33 o 0.736458 0.326398  0.285106     0.957519 0.00293527   1.35592  0.565795     1.35236  0.774371 0.360483  0.845774 0.380647  
1 1 1 44 23 34 o 1.03384  0.382316  1.83104      1.04634  1.128        1.46745  2.55815      1.49236  0.871375 0.3941    1.10002  0.442524  
1 1 1 44 23 35 o 0.744384 0.332968  0.56046      1.02038  0.105955     1.49378  0.958049     1.39712  0.74283  0.355563  0.827655 0.377537  
1 1 1 44 24 0  o 10.5994  0.147572  112.664      3.127    112.664      3.127    112.664      3.127    10.6069  0.104253  ?        ?         
1 1 1 44 24 1  o 12.9326  0.0980796 167.583      2.53684  165.244      3.51135  170.137      3.66913  12.8302  0.13684   13.0172  0.140934  
1 1 1 44 24 2  o 3.68472  0.081871  13.596       0.603344 13.2865      0.811961 13.9776      0.90157  3.64041  0.11152   3.73306  0.120755  
1 1 1 44 24 3  o 2.47224  0.0802541 6.12019      0.396814 5.61696      0.537826 6.72143      0.587868 2.36684  0.113617  2.58911  0.113527  
1 1 1 44 24 4  o 2.7252   0.106834  7.44469      0.582288 7.03341      0.864576 7.78611      0.787737 2.64464  0.163458  2.78451  0.14145   
1 1 1 44 24 5  o 3.42062  0.0954137 11.7238      0.652748 12.6519      0.935218 10.8422      0.911489 3.5503   0.13171   3.28593  0.138696  
1 1 1 44 24 6  o 3.36918  0.0967331 11.3753      0.651822 10.5522      0.908865 12.247       0.935336 3.24128  0.140202  3.49256  0.133904  
1 1 1 44 24 7  o 3.01993  0.105723  9.14389      0.63855  9.73965      0.905043 8.55336      0.901062 3.11314  0.145359  2.91646  0.154479  
1 1 1 44 24 8  o 2.07104  0.141807  4.31056      0.587378 3.7378       0.858185 4.81536      0.805658 1.92155  0.223305  2.18525  0.18434   
1 1 1 44 24 9  o 2.18305  0.138382  4.78976      0.604191 4.58992      0.884754 4.9644       0.82707  2.13042  0.207648  2.21802  0.186443  
1 1 1 44 24 10 o 1.73245  0.174812  3.02701      0.605707 2.59466      0.873577 3.4273       0.840574 1.56918  0.289202  1.83803  0.228662  
1 1 1 44 24 11 o 8.94988  0.0931212 80.3036      1.66685  82.5192      2.38831  78.1996      2.32742  9.06117  0.131788  8.82077  0.131928  
1 1 1 44 24 12 o 3.38184  0.0972522 11.4701      0.657782 11.5913      0.903064 11.3332      0.960036 3.39534  0.132986  3.3559   0.143037  
1 1 1 44 24 13 f 4.30702  0.0917154 18.6015      0.790039 20.0983      1.07885  16.8705      1.16014  4.47233  0.120614  4.09376  0.141696  
1 1 1 44 24 14 o 4.18225  0.0957778 17.5485      0.801133 16.8677      1.10376  18.3065      1.16464  4.09369  0.134812  4.26435  0.136555  
1 1 1 44 24 15 o 1.61914  0.19646   2.65786      0.636193 2.58308      0.883503 2.73839      0.916849 1.55951  0.294025  1.60592  0.29661   
1 1 1 44 24 16 o 2.86665  0.127622  8.26842      0.731693 9.1004       1.0967   7.60101      0.982268 2.99766  0.182927  2.74029  0.179227  
1 1 1 44 24 17 o 2.83089  0.12663   8.06532      0.716953 8.33593      0.993756 7.77157      1.03537  2.86994  0.173132  2.76834  0.187003  
1 1 1 44 24 18 o 3.59982  0.0937498 13.0104      0.674964 12.5832      0.987503 13.385       0.924679 3.53163  0.139809  3.64524  0.126834  
1 1 1 44 24 19 o 2.11785  0.155468  4.5401       0.658517 5.24632      0.956481 3.90369      0.907977 2.26514  0.211131  1.94926  0.232903  
1 1 1 44 24 20 o 6.66052  0.0961419 44.5918      1.28071  47.2834      1.84887  42.109       1.77573  6.84129  0.135126  6.45492  0.137549  
1 1 1 44 24 21 o 4.55747  0.104462  20.9054      0.952165 18.7288      1.27149  23.6843      1.43672  4.29976  0.147857  4.83495  0.148577  
1 1 1 44 24 22 o 1.33245  0.266742  1.91463      0.685744 2.40224      0.943328 1.36819      0.998608 1.47326  0.328606  1.13166  0.376738  
1 1 1 44 24 23 o 1.23555  0.292267  1.68153      0.711812 1.96916      0.991239 1.37529      1.02281  1.31794  0.364182  1.12995  0.381276  
1 1 1 44 24 24 o 1.86688  0.209102  3.60144      0.780737 3.57568      1.05836  3.6322       1.1564   1.83354  0.288611  1.80882  0.332059  
1 1 1 44 24 25 o 2.73828  0.149507  7.64378      0.818784 7.69644      1.14296  7.58827      1.17351  2.72282  0.209885  2.70005  0.217313  
1 1 1 44 24 26 o 2.31582  0.178493  5.52781      0.826714 5.59045      1.17732  5.46689      1.16114  2.29288  0.256735  2.26778  0.256008  
1 1 1 44 24 27 o 1.21622  0.3203    1.71414      0.789954 1.8263       1.11933  1.60284      1.11501  1.23038  0.398794  1.1658   0.398089  
1 1 1 44 24 28 o 3.31985  0.136779  11.2856      0.908169 11.1685      1.26652  11.4095      1.30294  3.26387  0.194021  3.29601  0.197654  
1 1 1 44 24 29 o 0.689735 0.304024  0.00239819   0.815521 0.590894     1.15313  -0.586489    1.15351  0.899716 0.378012  0.712746 0.332063  
1 1 1 44 24 30 f 3.18229  0.143299  10.5075      0.912039 10.8626      1.21159  10.0432      1.38546  3.19236  0.189764  3.02743  0.228818  
1 1 1 44 24 31 o 1.33247  0.318542  2.21222      0.838627 2.54435      1.12504  1.79687      1.25808  1.35949  0.392113  1.12973  0.41893   
1 1 1 44 24 32 o 0.823991 0.343038  0.707563     0.935916 -0.225133    1.26905  1.81979      1.38582  0.737822 0.34539   1.07416  0.428719  
1 1 1 44 24 33 o 0.685024 0.313063  0.000735175  0.966946 0.964411     1.42131  -0.829606    1.31932  0.897342 0.397689  0.673016 0.325029  
1 1 1 44 24 34 f 0.748197 0.334959  0.573872     1.03456  2.05321      1.59193  -0.50771     1.3612   0.970325 0.426335  0.670648 0.325052  
1 1 1 44 24 35 o 0.660968 0.31249   0.00991514   1.10229  -0.306196    1.58894  0.303176     1.53044  0.696062 0.340594  0.737987 0.354844  
1 1 1 44 25 0  o 1.76846  0.223853  3.29127      0.763232 3.29127      0.763232 3.29127      0.763232 1.79263  0.153099  ?        ?         
1 1 1 44 25 1  o 5.58607  0.0735434 31.2414      0.821637 30.7701      1.1271   31.7759      1.20029  5.54079  0.101709  5.62999  0.106598  
1 1 1 44 25 2  o 3.2014   0.0847816 10.2654      0.542839 10.7858      0.742892 9.66916      0.795151 3.27951  0.113263  3.10388  0.12809   
1 1 1 44 25 3  o 1.07044  0.222386  1.20123      0.460243 1.36437      0.597105 0.962422     0.722416 1.13662  0.266927  0.984547 0.320431  
1 1 1 44 25 4  o 3.266    0.091129  10.6873      0.595254 11.6721      0.860116 9.78195      0.824637 3.41019  0.12611   3.12132  0.132097  
1 1 1 44 25 5  o 3.07068  0.101392  9.45218      0.622684 8.93461      0.861269 10.019       0.901313 2.98168  0.144427  3.15762  0.14272   
1 1 1 44 25 6  o 1.79771  0.155637  3.25117      0.559581 4.05347      0.81447  2.53386      0.770125 2.00311  0.203301  1.58025  0.243672  
1 1 1 44 25 7  o 2.10915  0.136577  4.4701       0.576122 5.31899      0.828322 3.67462      0.801842 2.29665  0.180332  1.90605  0.210341  
1 1 1 44 25 8  o 2.31857  0.125285  5.39897      0.580963 5.79552      0.84068  5.03646      0.803773 2.39737  0.175334  2.23438  0.179865  
1 1 1 44 25 9  o 4.8142   0.0850396 23.2244      0.818796 23.2904      1.12674  23.1505      1.19191  4.81669  0.116962  4.80104  0.124131  
1 1 1 44 25 10 o 2.47814  0.124258  6.16939      0.615856 4.66845      0.86669  7.70022      0.875276 2.14776  0.201766  2.7647   0.158295  
1 1 1 44 25 11 o 4.62083  0.0832575 21.3983      0.769438 21.5709      1.12324  21.2457      1.05615  4.63377  0.121201  4.5998   0.114804  
1 1 1 44 25 12 o 4.19969  0.0877238 17.6823      0.736825 17.306       1.00631  18.1173      1.08183  4.14983  0.121248  4.2449   0.127428  
1 1 1 44 25 13 o 2.36748  0.134929  5.64158      0.638884 6.53507      0.875268 4.62263      0.934694 2.54283  0.172105  2.13163  0.219245  
1 1 1 44 25 14 o 0.87978  0.294255  0.758562     0.609207 0.445921     0.830191 1.12334      0.896751 0.84363  0.333355  1.06201  0.357007  
1 1 1 44 25 15 o 3.13243  0.117187  9.86285      0.734161 11.5902      0.99703  7.81697      1.08507  3.3906   0.147028  2.7759   0.195445  
1 1 1 44 25 16 o 1.34563  0.254022  1.91393      0.658671 1.58641      0.93951  2.23051      0.923696 1.21661  0.360681  1.43598  0.328585  
1 1 1 44 25 17 o 3.48372  0.11164   12.2024      0.777849 13.4129      1.05479  10.7594      1.15168  3.64564  0.144664  3.25788  0.176752  
1 1 1 44 25 18 o 4.23364  0.0994675 18.0127      0.842219 18.8233      1.24041  17.3194      1.1472   4.31635  0.143687  4.14184  0.138489  
1 1 1 44 25 19 o 2.65286  0.125847  7.09793      0.667707 7.69344      0.968789 6.5591       0.921543 2.75066  0.176101  2.53848  0.181514  
1 1 1 44 25 20 o 2.20497  0.155852  4.93094      0.687298 4.86197      0.986564 4.99598      0.958034 2.17243  0.227064  2.2049   0.217251  
1 1 1 44 25 21 o 4.95013  0.104802  24.6719      1.03757  25.4284      1.40962  23.7774      1.5328   5.01144  0.14064   4.83801  0.158412  
1 1 1 44 25 22 o 2.52959  0.145594  6.49327      0.736588 6.12961      1.04135  6.8574       1.04203  2.43742  0.213618  2.58236  0.20176   
1 1 1 44 25 23 o 2.56878  0.149078  6.70927      0.765899 7.09882      1.04829  6.26323      1.12173  2.62518  0.19966   2.45477  0.228478  
1 1 1 44 25 24 o 2.08675  0.192038  4.48299      0.80147  4.98593      1.09877  3.91113      1.17164  2.1782   0.252219  1.90701  0.307194  
1 1 1 44 25 25 o 2.37211  0.172956  5.77566      0.820541 6.2056       1.12823  5.29289      1.19554  2.43383  0.231781  2.23073  0.26797   
1 1 1 44 25 26 f 1.48395  0.27805   2.44475      0.794725 2.7904       1.11869  2.09258      1.1292   1.53536  0.368455  1.31778  0.39639   
1 1 1 44 25 27 o 0.765611 0.315136  0.353573     0.777158 0.507222     1.10207  0.201588     1.09609  0.890021 0.371495  0.829173 0.35899   
1 1 1 44 25 28 o 0.845305 0.329756  0.649527     0.804783 -0.0309775   1.13424  1.33945      1.14207  0.791932 0.352729  1.07711  0.399201  
1 1 1 44 25 29 o 2.16128  0.200861  4.98352      0.868232 5.43233      1.1945   4.48082      1.26419  2.19914  0.271585  1.95272  0.3237    
1 1 1 44 25 30 o 1.69919  0.247225  3.22364      0.840162 3.37009      1.11453  3.03089      1.27864  1.63574  0.350812  1.48137  0.415088  
1 1 1 44 25 31 o 0.703213 0.311324  0.132825     0.86792  0.488441     1.1502   -0.337415    1.32264  0.830165 0.363584  0.749881 0.351315  
1 1 1 44 25 32 o 1.38018  0.360588  2.67374      1.00624  2.29763      1.44951  3.02358      1.39797  1.15349  0.444075  1.33803  0.445748  
1 1 1 44 25 33 o 0.869974 0.357258  1.1194       0.996488 1.31921      1.43077  0.931185     1.38867  0.90592  0.400565  0.849558 0.383849  
1 1 1 44 25 34 o 0.733634 0.332053  0.484663     1.04369  0.772143     1.56236  0.252986     1.40255  0.810757 0.380192  0.745603 0.352498  
1 1 1 44 25 35 o 0.860269 0.369887  1.63128      1.14851  0.00363531   1.76549  2.82546      1.51223  0.689068 0.341445  0.971923 0.421242  
1 1 1 44 26 0  o 0.831284 0.38469   1.02585      0.701137 1.02585      0.701137 1.02585      0.701137 0.880357 0.310661  ?        ?         
1 1 1 44 26 1  f 3.66534  0.0806261 13.4559      0.591045 12.9116      0.803546 14.0976      0.872424 3.58781  0.111983  3.74853  0.116369  
1 1 1 44 26 2  o 3.15553  0.0822238 9.97391      0.51892  10.2864      0.715669 9.62753      0.75352  3.20234  0.111742  3.09721  0.121645  
1 1 1 44 26 3  o 3.78802  0.0897315 14.378       0.67981  13.5141      1.01526  15.0802      0.915289 3.6674   0.138417  3.8766   0.118053  
1 1 1 44 26 4  o 5.67622  0.0755675 32.2667      0.857876 31.6534      1.23573  32.8373      1.1919   5.61746  0.10999   5.72247  0.104142  
1 1 1 44 26 5  o 6.53818  0.0794156 42.8194      1.03847  43.2529      1.48255  42.4017      1.45506  6.56568  0.112902  6.50094  0.111912  
1 1 1 44 26 6  o 4.67722  0.0811815 21.9161      0.759407 21.8846      1.07864  21.9471      1.06935  4.66959  0.115496  4.67643  0.114334  
1 1 1 44 26 7  o 5.90262  0.0791313 34.9028      0.934164 34.1878      1.33805  35.5828      1.30479  5.83625  0.114633  5.95508  0.109553  
1 1 1 44 26 8  o 3.12011  0.102578  9.76514      0.640112 9.07155      0.925156 10.4021      0.886587 3.00154  0.154114  3.21634  0.137825  
1 1 1 44 26 9  o 4.41674  0.0843749 19.5499      0.745324 19.8169      1.08023  19.3073      1.02968  4.44163  0.121603  4.38481  0.117415  
1 1 1 44 26 10 o 4.27738  0.0865775 18.3395      0.740649 17.6988      1.05018  18.9737      1.04472  4.19645  0.125127  4.3458   0.120198  
1 1 1 44 26 11 f 1.69246  0.163317  2.89021      0.552812 2.91036      0.752249 2.86655      0.815121 1.69176  0.222327  1.67626  0.243137  
1 1 1 44 26 12 o 2.63018  0.119748  6.95371      0.629917 7.93225      0.853643 5.78388      0.933359 2.80466  0.152183  2.38847  0.195388  
1 1 1 44 26 13 o 2.38468  0.133454  5.72294      0.636487 6.22951      0.867564 5.13247      0.93666  2.48224  0.174755  2.24793  0.208338  
1 1 1 44 26 14 o 3.29853  0.106921  10.9272      0.705368 10.6698      0.975294 11.2095      1.02138  3.25266  0.149923  3.33328  0.15321   
1 1 1 44 26 15 o 4.22728  0.0973333 17.9373      0.82291  17.5278      1.1879   18.3152      1.14106  4.16974  0.142443  4.26439  0.133789  
1 1 1 44 26 16 o 3.33443  0.11119   11.1772      0.741511 11.7275      1.06347  10.6565      1.03444  3.40673  0.156084  3.24673  0.159305  
1 1 1 44 26 17 o 1.76912  0.185825  3.18377      0.657492 3.25701      0.911718 3.10441      0.949076 1.77588  0.256694  1.72989  0.274317  
1 1 1 44 26 18 o 2.49389  0.150695  6.294        0.751634 5.78603      1.02311  6.88965      1.10789  2.37648  0.215257  2.59372  0.213572  
1 1 1 44 26 19 o 2.0547   0.154005  4.27961      0.632868 4.97801      0.920181 3.65273      0.871797 2.20349  0.208801  1.88219  0.231591  
1 1 1 44 26 20 o 1.48369  0.223927  2.26891      0.66448  3.2858       0.962209 1.34183      0.918731 1.77287  0.271371  1.11843  0.361175  
1 1 1 44 26 21 o 4.64901  0.105874  21.7751      0.984417 20.4946      1.32145  23.3718      1.47562  4.49472  0.147001  4.79662  0.153819  
1 1 1 44 26 22 o 1.86804  0.187923  3.58166      0.702094 2.75681      1.00495  4.36814      0.981295 1.57279  0.330015  2.04663  0.239734  
1 1 1 44 26 23 o 0.97897  0.320559  1.01765      0.722994 1.77618      0.999503 0.185171     1.04709  1.25175  0.372207  0.836151 0.356127  
1 1 1 44 26 24 o 2.74053  0.149777  7.65812      0.820939 7.94978      1.15461  7.35994      1.16746  2.76739  0.208611  2.65745  0.219657  
1 1 1 44 26 25 o 0.595897 0.273866  -0.443975    0.751635 0.166595     1.05303  -1.07816     1.0732   0.82252  0.353931  0.644957 0.306532  
1 1 1 44 26 26 o 3.57608  0.127956  13.0346      0.915164 12.3775      1.3117   13.6577      1.27746  3.4456   0.190344  3.6302   0.175949  
1 1 1 44 26 27 o 0.479693 0.235348  -1.36751     0.769717 -1.3182      1.09333  -1.41596     1.08382  0.61738  0.297601  0.604099 0.292235  
1 1 1 44 26 28 o 0.550463 0.262534  -0.807545    0.795826 -1.21383     1.08685  -0.337904    1.16852  0.61896  0.297958  0.750217 0.343396  
1 1 1 44 26 29 o 0.969925 0.339047  1.13038      0.812201 1.15695      1.06637  1.09367      1.25342  0.990787 0.381004  0.993051 0.403042  
1 1 1 44 26 30 o 1.44207  0.30939   2.54491      0.86658  2.31758      1.15695  2.83545      1.30796  1.2859   0.404196  1.39922  0.427768  
1 1 1 44 26 31 o 0.772293 0.333316  0.452608     0.939306 0.47982      1.30662  0.423504     1.35127  0.839235 0.376056  0.837804 0.378586  
1 1 1 44 26 32 o 0.579545 0.278602  -0.769796    0.942186 -1.16566     1.33031  -0.371379    1.3346   0.650004 0.316749  0.72348  0.342894  
1 1 1 44 26 33 o 0.579078 0.281757  -0.820115    1.04019  -1.16059     1.63583  -0.588998    1.34776  0.672217 0.332019  0.66544  0.322814  
1 1 1 44 26 34 o 0.587934 0.283737  -0.535017    1.00098  0.87289      1.5443   -1.55509     1.3145   0.806015 0.377972  0.578456 0.287874  
1 1 1 44 27 0  o 3.58326  0.115303  12.9026      0.824386 12.9026      0.824386 12.9026      0.824386 3.58766  0.0813351 ?        ?         
1 1 1 44 27 1  o 4.84148  0.0716065 23.4725      0.693363 23.0052      0.941288 24.0269      1.0252   4.79015  0.0982524 4.89451  0.10473   
1 1 1 44 27 2  f 3.62404  0.0745613 13.1537      0.540426 12.8944      0.733322 13.4619      0.799516 3.58579  0.102254  3.66311  0.109131  
1 1 1 44 27 3  o 2.79715  0.1072    7.849        0.59971  6.58634      0.880361 8.94226      0.819176 2.55598  0.172216  2.98264  0.137324  
1 1 1 44 27 4  o 0.967763 0.266509  0.985317     0.531948 0.960701     0.782757 1.00644      0.725122 0.992491 0.333545  0.998487 0.320713  
1 1 1 44 27 5  o 8.45736  0.086523  71.6808      1.46351  71.4453      2.09522  71.9053      2.04513  8.43399  0.124213  8.4621   0.120841  
1 1 1 44 27 6  o 2.18855  0.13522   4.81554      0.591871 5.564        0.85181  4.11685      0.822998 2.34754  0.181426  2.01676  0.20404   
1 1 1 44 27 7  o 2.5324   0.118298  6.44022      0.599156 6.62469      0.863196 6.26872      0.832317 2.56287  0.168404  2.49325  0.166914  
1 1 1 44 27 8  o 5.85113  0.0793166 34.3032      0.928183 34.5191      1.34078  34.1045      1.28622  5.86321  0.114338  5.82872  0.110335  
1 1 1 44 27 9  o 1.87991  0.154695  3.56173      0.581626 3.45985      0.831685 3.65924      0.813696 1.84459  0.225439  1.89851  0.214298  
1 1 1 44 27 10 f 4.759    0.0830383 22.7024      0.790359 22.1737      1.0922   23.2835      1.14515  4.69779  0.116246  4.81338  0.118955  
1 1 1 44 27 11 f 4.82716  0.0854979 23.3629      0.825424 24.2876      1.10417  22.1915      1.24273  4.91702  0.11228   4.6959   0.132321  
1 1 1 44 27 12 o 4.83189  0.0881043 23.4119      0.85142  23.0758      1.14248  23.8318      1.27688  4.79144  0.119221  4.86668  0.131186  
1 1 1 44 27 13 o 1.88858  0.1654    3.60379      0.624743 3.8259       0.844435 3.33521      0.92859  1.93853  0.217802  1.80361  0.257426  
1 1 1 44 27 14 o 1.58828  0.189934  2.55887      0.603335 3.91678      0.827475 1.01756      0.881584 1.9617   0.210908  1.02325  0.353657  
1 1 1 44 27 15 o 3.52649  0.106524  12.4961      0.75131  12.0056      1.06067  12.99        1.06436  3.44749  0.153832  3.5873   0.148351  
1 1 1 44 27 16 o 1.65157  0.201802  2.78304      0.666579 1.74534      0.939778 3.83368      0.94562  1.26266  0.356528  1.92951  0.245042  
1 1 1 44 27 17 o 4.05665  0.110014  16.5597      0.892578 16.4636      1.20036  16.6786      1.33492  4.03438  0.148767  4.05548  0.164582  
1 1 1 44 27 18 o 2.07508  0.173385  4.38008      0.719574 4.44288      0.965494 4.30161      1.07924  2.0758   0.23256   2.03328  0.265395  
1 1 1 44 27 19 o 1.09873  0.263443  1.30559      0.57228  1.82549      0.885747 0.933036     0.749791 1.2836   0.33968   0.960527 0.326446  
1 1 1 44 27 20 o 2.27634  0.151255  5.25885      0.688613 5.59361      0.996001 4.95231      0.953106 2.33051  0.213687  2.19173  0.217433  
1 1 1 44 27 21 f 3.08373  0.121444  9.61229      0.749005 9.62431      1.04965  9.59981      1.06912  3.06969  0.17097   3.06447  0.174438  
1 1 1 44 27 22 o 1.27522  0.281941  1.78447      0.699898 0.526112     1.00536  2.96784      0.974947 0.897048 0.362243  1.64257  0.308143  
1 1 1 44 27 23 o 2.43848  0.162439  6.07794      0.792208 5.2309       1.12437  6.91295      1.11637  2.22848  0.252273  2.57914  0.216423  
1 1 1 44 27 24 f 1.35913  0.290482  2.05371      0.766525 1.60541      1.06227  2.54072      1.10718  1.18656  0.388561  1.47499  0.374499  
1 1 1 44 27 25 o 1.01761  0.330871  1.16212      0.770254 0.666975     1.06713  1.70067      1.11292  0.923214 0.373042  1.19807  0.397716  
1 1 1 44 27 26 o 0.903815 0.326128  0.850397     0.756772 1.5135       1.03863  0.0999426    1.10492  1.13187  0.384212  0.813235 0.356261  
1 1 1 44 27 27 o 1.03091  0.336735  1.2426       0.797799 2.60553      1.11925  -0.16512     1.13749  1.44589  0.381477  0.771052 0.347943  
1 1 1 44 27 28 o 1.01074  0.337893  1.22739      0.803298 1.74802      1.08011  0.582998     1.20166  1.16308  0.391809  0.896549 0.381669  
1 1 1 44 27 29 o 1.34699  0.322269  2.23884      0.857831 2.86441      1.17802  1.53265      1.25163  1.46085  0.394093  1.08327  0.413852  
1 1 1 44 27 30 o 1.72638  0.271521  3.49283      0.937498 4.26651      1.30898  2.67801      1.34333  1.77348  0.380036  1.31377  0.436951  
1 1 1 44 27 31 o 0.718411 0.320673  0.195024     0.941976 -0.844128    1.39769  1.05982      1.27505  0.698334 0.336589  0.919473 0.392341  
1 1 1 44 27 32 o 0.907293 0.35911   1.24924      0.964919 0.738552     1.4032   1.70737      1.32902  0.831591 0.37907   0.982552 0.408898  
1 1 1 44 27 33 o 0.881304 0.370392  1.31651      1.10769  -1.60742     1.56574  4.24616      1.56727  0.628189 0.312841  1.39016  0.471969  
1 1 1 44 27 34 f 0.728196 0.331069  0.755141     1.05508  -0.645468    1.54499  1.97917      1.44432  0.639512 0.317403  0.876782 0.394057  
1 1 1 44 28 0  o 5.31167  0.105339  28.2926      1.11806  28.2926      1.11806  28.2926      1.11806  5.31539  0.0744004 ?        ?         
1 1 1 44 28 1  o 8.03433  0.0782581 64.6657      1.2575   65.4746      1.78171  63.8629      1.77506  8.07743  0.11029   7.97715  0.111259  
1 1 1 44 28 2  o 4.54384  0.0688156 20.6752      0.625375 20.2645      0.878972 21.0962      0.889958 4.49535  0.0977645 4.58678  0.0970135 
1 1 1 44 28 3  o 2.26714  0.12757   5.16474      0.578439 4.675        0.871256 5.55076      0.773513 2.1492   0.202694  2.34663  0.164814  
1 1 1 44 28 4  o 1.71648  0.16389   2.97015      0.56263  2.65349      0.810329 3.26491      0.781795 1.61374  0.251072  1.79416  0.217873  
1 1 1 44 28 5  o 4.02465  0.0862329 16.2348      0.694115 16.2164      0.985084 16.253       0.978205 4.01766  0.122594  4.02235  0.121596  
1 1 1 44 28 6  f 5.63814  0.0793494 31.8517      0.894766 32.452       1.28121  31.2802      1.25015  5.6852   0.112679  5.58176  0.111985  
1 1 1 44 28 7  o 5.14893  0.0815369 26.5689      0.839656 26.3039      1.17023  26.8501      1.20546  5.1177   0.114332  5.17012  0.116579  
1 1 1 44 28 8  o 4.10947  0.0844252 16.9289      0.693886 15.3022      0.952152 18.7712      1.01331  3.9018   0.122014  4.32234  0.117217  
1 1 1 44 28 9  o 4.6011   0.082095  21.2216      0.755454 20.4247      1.04791  22.0838      1.09008  4.50835  0.116219  4.68787  0.116266  
1 1 1 44 28 10 f 6.39656  0.086004  41.0246      1.10026  41.2227      1.51659  40.8046      1.59865  6.40426  0.118405  6.36972  0.125489  
1 1 1 44 28 11 o 5.15275  0.0873069 26.624       0.899742 26.8293      1.23296  26.39        1.31594  5.1663   0.119327  5.12173  0.128467  
1 1 1 44 28 12 o 3.2965   0.100046  10.9089      0.659605 10.3769      0.881539 11.5857      0.994241 3.20963  0.137327  3.38971  0.146656  
1 1 1 44 28 13 f 3.14769  0.105958  9.95236      0.667045 9.71322      0.876159 10.2821      1.02881  3.10421  0.141124  3.18995  0.161258  
1 1 1 44 28 14 o 3.46722  0.104162  12.0775      0.722306 13.4117      0.997038 10.6038      1.04785  3.64754  0.136673  3.23812  0.161799  
1 1 1 44 28 15 o 3.44785  0.1091    11.9582      0.752319 11.8979      1.07862  12.0152      1.04985  3.42841  0.157306  3.44658  0.152303  
1 1 1 44 28 16 o 0.678055 0.289523  0.0317772    0.695155 -0.297878    0.995346 0.345691     0.97129  0.740573 0.330124  0.859138 0.352744  
1 1 1 44 28 17 o 1.53002  0.230249  2.41161      0.70457  2.00809      0.975042 2.85256      1.01925  1.34453  0.356661  1.61527  0.326926  
1 1 1 44 28 18 o 0.954898 0.31407   0.940933     0.694016 0.75407      0.92561  1.18088      1.04888  0.943453 0.357215  1.087    0.384764  
1 1 1 44 28 19 o 1.73737  0.214414  3.10701      0.745032 3.14212      1.02681  3.06798      1.08268  1.69675  0.314389  1.66694  0.336536  
1 1 1 44 28 20 o 2.08198  0.161738  4.41501      0.673472 4.44515      1.01825  4.39158      0.897924 2.0644   0.246621  2.0613   0.217805  
1 1 1 44 28 21 o 3.2891   0.115062  10.9263      0.756898 11.1927      1.06882  10.6583      1.07201  3.31316  0.1613    3.23129  0.16588   
1 1 1 44 28 22 o 3.55609  0.120474  12.7912      0.856834 14.3287      1.21395  11.2648      1.20955  3.74657  0.162008  3.31284  0.182555  
1 1 1 44 28 23 o 1.74455  0.222389  3.1761       0.775936 2.78588      1.13814  3.51498      1.06063  1.55001  0.371438  1.80743  0.293408  
1 1 1 44 28 24 o 3.16425  0.128865  10.1854      0.81552  9.53717      1.1409   10.8627      1.16616  3.03318  0.188069  3.24201  0.179851  
1 1 1 44 28 25 f 0.970438 0.330953  1.04058      0.770635 -0.384521    1.04012  2.77496      1.14745  0.715699 0.326275  1.51306  0.379509  
1 1 1 44 28 26 o 0.994623 0.331972  1.12656      0.77539  0.251934     1.06348  2.11917      1.13294  0.82441  0.355223  1.30186  0.398145  
1 1 1 44 28 27 o 0.504094 0.245459  -1.19288     0.7933   -2.05004     1.10589  -0.284224    1.13862  0.552599 0.27295   0.747467 0.340923  
1 1 1 44 28 28 o 1.86733  0.227109  3.8171       0.848173 3.87058      1.21176  3.76573      1.1876   1.75617  0.35741   1.7343   0.354632  
1 1 1 44 28 29 o 1.2273   0.339042  1.9314       0.859253 0.81633      1.15439  3.31667      1.28668  0.908705 0.379811  1.54259  0.409945  
1 1 1 44 28 30 o 0.948254 0.355478  1.19655      0.910732 0.694304     1.34291  1.62426      1.23927  0.876645 0.387788  1.04449  0.408843  
1 1 1 44 28 31 f 1.29904  0.364799  2.43485      0.986519 0.186045     1.41866  4.5405       1.37276  0.800463 0.371123  1.75122  0.400473  
1 1 1 44 28 32 o 0.910398 0.370565  1.3758       1.06265  0.831358     1.51913  1.89747      1.487    0.826968 0.383652  0.970112 0.419046  
1 1 1 44 28 33 o 1.25161  0.392425  2.76924      1.09146  2.87053      1.57999  2.67679      1.50954  1.08692  0.448673  1.07014  0.439627  
1 1 1 44 29 0  f 1.16636  0.35345   1.70651      0.718004 1.70651      0.718004 1.70651      0.718004 1.24567  0.226074  ?        ?         
1 1 1 44 29 1  o 2.56353  0.102877  6.59342      0.527459 6.38479      0.729731 6.82167      0.763278 2.51852  0.144873  2.60305  0.146612  
1 1 1 44 29 2  o 3.80754  0.0726159 14.5214      0.552976 14.7838      0.774717 14.2489      0.789546 3.83877  0.100907  3.76822  0.104764  
1 1 1 44 29 3  o 1.3668   0.207138  1.89364      0.566231 3.12767      0.881117 1.02551      0.739033 1.75077  0.251636  1.00559  0.323854  
1 1 1 44 29 4  o 3.62956  0.0893291 13.2077      0.64845  13.2178      0.930345 13.1982      0.904303 3.62585  0.128293  3.62367  0.124777  
1 1 1 44 29 5  o 3.40808  0.094676  11.6497      0.645327 12.6616      0.927257 10.6992      0.898676 3.54813  0.130668  3.26054  0.137811  
1 1 1 44 29 6  f 4.13679  0.0851855 17.1558      0.704788 17.5452      0.992515 16.7597      1.00098  4.17846  0.118765  4.08321  0.122573  
1 1 1 44 29 7  o 2.68396  0.113931  7.23726      0.611571 7.06058      0.83542  7.44127      0.897722 2.64528  0.157908  2.71448  0.165358  
1 1 1 44 29 8  o 4.68762  0.0823859 22.0274      0.772387 22.686       1.127    21.4441      1.06066  4.75089  0.118609  4.61976  0.114796  
1 1 1 44 29 9  o 4.57703  0.0991627 21.0228      0.907741 19.5717      1.23704  22.7159      1.33617  4.40834  0.140306  4.74917  0.140673  
1 1 1 44 29 10 o 2.03488  0.178705  4.18991      0.727286 4.67545      1.00757  3.66174      1.05087  2.14021  0.235392  1.88638  0.27854   
1 1 1 44 29 11 f 2.67631  0.141949  7.21958      0.7598   7.96383      1.06951  6.46123      1.0796   2.80196  0.19085   2.51918  0.214276  
1 1 1 44 29 12 o 1.77902  0.193793  3.21257      0.689524 3.48231      0.964134 2.93016      0.986521 1.84075  0.261887  1.65587  0.30937   
1 1 1 44 29 13 o 3.18753  0.120849  10.2255      0.770421 10.3652      1.09303  10.0875      1.08608  3.19898  0.170841  3.15555  0.17209   
1 1 1 44 29 14 o 2.33612  0.134346  5.50663      0.627698 5.27924      0.846637 5.78418      0.935379 2.27824  0.18581   2.38237  0.196313  
1 1 1 44 29 15 o 2.37849  0.141858  5.71584      0.674814 6.23657      0.93675  5.15409      0.97294  2.47455  0.189277  2.24321  0.216864  
1 1 1 44 29 16 o 2.26399  0.160819  5.20092      0.728183 5.94226      0.997445 4.35491      1.06554  2.40839  0.207077  2.04766  0.260183  
1 1 1 44 29 17 o 3.04634  0.122605  9.36281      0.746996 9.36913      0.997857 9.35474      1.12665  3.0367   0.164299  3.02764  0.186061  
1 1 1 44 29 18 o 1.81464  0.202604  3.37806      0.735306 3.50805      1.02158  3.23832      1.0592   1.82812  0.279408  1.72145  0.319618  
1 1 1 44 29 19 o 4.03676  0.125445  16.4726      1.01278  14.318       1.44015  18.5808      1.42455  3.73629  0.192724  4.26971  0.166821  
1 1 1 44 29 20 o 1.00623  0.283028  1.10586      0.593354 0.92752      0.896711 1.24477      0.791383 0.977788 0.354787  1.0674   0.334051  
1 1 1 44 29 21 o 2.15705  0.163356  4.74837      0.704735 4.15523      1.02702  5.27619      0.968818 1.988    0.258304  2.25732  0.214595  
1 1 1 44 29 22 o 2.60553  0.144599  6.91312      0.753517 6.62643      1.04422  7.22459      1.08842  2.52749  0.206572  2.63928  0.206197  
1 1 1 44 29 23 o 1.31141  0.28893   1.92108      0.737394 2.88696      1.0647   1.03068      1.02226  1.58491  0.345476  1.01434  0.377333  
1 1 1 44 29 24 o 2.27828  0.179148  5.3822       0.816301 4.96985      1.1232   5.84383      1.18841  2.14619  0.261672  2.33166  0.254842  
1 1 1 44 29 25 o 1.81344  0.231895  3.51057      0.841057 3.77416      1.13849  3.19389      1.2479   1.80647  0.327134  1.61198  0.390607  
1 1 1 44 29 26 f 1.33106  0.302154  2.06621      0.78616  1.74737      1.08685  2.41611      1.13855  1.18329  0.39303   1.37961  0.393351  
1 1 1 44 29 27 o 0.589153 0.275921  -0.547017    0.813328 -0.288493    1.15649  -0.80001     1.14405  0.743984 0.340994  0.675904 0.31907   
1 1 1 44 29 28 o 1.03304  0.346476  1.33889      0.844624 2.02134      1.15226  0.546364     1.24171  1.21406  0.404684  0.882301 0.382044  
1 1 1 44 29 29 o 2.08348  0.22218   4.84538      0.925816 5.72899      1.31857  3.98618      1.30023  2.16962  0.30387   1.69619  0.39102   
1 1 1 44 29 30 o 0.821465 0.344592  0.710911     0.955741 1.09969      1.39226  0.364425     1.31435  0.932762 0.404227  0.815151 0.370312  
1 1 1 44 29 31 o 0.968107 0.37375   1.50774      1.02827  1.82392      1.53838  1.25239      1.38247  0.989273 0.426759  0.905776 0.397639  
1 1 1 44 29 32 o 1.02214  0.386052  1.92155      1.07886  0.853374     1.57561  2.86442      1.48032  0.81534  0.382244  1.12009  0.444334  
1 1 1 44 29 33 o 0.550208 0.270885  -0.85174     1.03476  -1.06808     1.51338  -0.661807    1.41801  0.619387 0.308333  0.631441 0.311216  
1 1 1 44 30 0  o 4.28779  0.112176  18.462       0.960489 18.462       0.960489 18.462       0.960489 4.29225  0.0791764 ?        ?         
1 1 1 44 30 1  o 4.37207  0.0763841 19.1531      0.667914 20.3074      0.962838 18.0823      0.92731  4.49751  0.107041  4.24361  0.109259  
1 1 1 44 30 2  o 2.46076  0.0951512 6.0742       0.468288 6.53714      0.663175 5.61381      0.661347 2.5493   0.13007   2.36131  0.140038  
1 1 1 44 30 3  o 1.11358  0.263696  1.31974      0.578965 0.813566     0.873643 1.71612      0.773104 0.961957 0.35008   1.26441  0.308112  
1 1 1 44 30 4  o 4.19642  0.0841536 17.6546      0.706287 17.1128      1.00492  18.1835      0.992871 4.12575  0.121786  4.25379  0.116704  
1 1 1 44 30 5  o 4.66997  0.0830427 21.8629      0.775615 20.8279      1.08063  22.9626      1.1139   4.55214  0.118695  4.78018  0.116512  
1 1 1 44 30 6  o 1.95732  0.146549  3.86065      0.573687 3.41533      0.818411 4.29087      0.804402 1.83158  0.223416  2.05725  0.195504  
1 1 1 44 30 7  f 4.09357  0.084849  16.8005      0.694671 16.0596      0.956677 17.6268      1.01034  3.99711  0.119671  4.18743  0.12064   
1 1 1 44 30 8  o 0.942415 0.306444  0.895603     0.660724 1.39916      0.91666  0.351079     0.953222 1.15398  0.359196  0.861731 0.350896  
1 1 1 44 30 9  o 4.2803   0.105549  18.3997      0.903565 18.3057      1.25214  18.5018      1.30517  4.26078  0.146939  4.2822   0.152395  
1 1 1 44 30 10 o 2.15452  0.173392  4.69745      0.747154 4.57965      1.07062  4.8093       1.04318  2.11312  0.253327  2.16811  0.240574  
1 1 1 44 30 11 o 3.99783  0.102877  16.0508      0.822572 15.6259      1.14559  16.5032      1.18184  3.93598  0.145527  4.04483  0.146093  
1 1 1 44 30 12 o 2.79143  0.130169  7.85245      0.726718 8.11693      1.03119  7.59148      1.02432  2.82761  0.182343  2.73341  0.18737   
1 1 1 44 30 13 o 2.76883  0.140263  7.74196      0.776725 9.04214      1.09971  6.44771      1.0972   2.98184  0.184402  2.50951  0.218609  
1 1 1 44 30 14 o 2.51796  0.153335  6.41752      0.772181 6.597        1.07138  6.2235       1.11392  2.53922  0.210967  2.46212  0.226211  
1 1 1 44 30 15 o 3.94513  0.109862  15.6708      0.866838 15.8037      1.14821  15.4947      1.32183  3.95164  0.145283  3.90451  0.16927   
1 1 1 44 30 16 o 3.56021  0.114645  12.7735      0.816321 14.2017      1.09203  10.9647      1.22897  3.74505  0.145796  3.27741  0.187491  
1 1 1 44 30 17 o 2.15225  0.15855   4.70498      0.682479 4.92397      0.925444 4.4439       1.0105   2.18829  0.211454  2.06942  0.24415   
1 1 1 44 30 18 f 1.68506  0.221007  2.93369      0.744823 3.35106      1.03763  2.49004      1.06979  1.7799   0.291485  1.48537  0.362742  
1 1 1 44 30 19 o 3.85764  0.116708  15.0329      0.900432 15.0009      1.23637  15.0691      1.31398  3.83615  0.161147  3.84023  0.171081  
1 1 1 44 30 20 o 2.16164  0.184759  4.7947       0.798766 4.72847      1.09845  4.86901      1.16361  2.12072  0.258981  2.14704  0.27098   
1 1 1 44 30 21 o 0.747004 0.297625  0.372631     0.666821 0.39661      0.957657 0.350063     0.929048 0.848507 0.349635  0.829114 0.343259  
1 1 1 44 30 22 o 2.51387  0.14694   6.44482      0.738777 6.58844      1.04039  6.29874      1.04924  2.5179   0.206599  2.45883  0.213362  
1 1 1 44 30 23 o 2.56357  0.163041  6.76388      0.835935 5.83117      1.11943  7.93962      1.25684  2.34224  0.238966  2.73946  0.229396  
1 1 1 44 30 24 o 0.478256 0.235389  -1.43933     0.78035  -1.92271     1.07894  -0.909133    1.12999  0.559824 0.275757  0.676983 0.318852  
1 1 1 44 30 25 o 1.80209  0.237986  3.49605      0.857742 3.76059      1.22823  3.24422      1.19838  1.77033  0.359408  1.62801  0.375456  
1 1 1 44 30 26 o 0.73513  0.312523  0.248661     0.803744 -0.502621    1.12129  1.04261      1.15269  0.709971 0.329464  0.989309 0.392206  
1 1 1 44 30 27 o 0.646486 0.292969  -0.169715    0.814926 -0.251125    1.13829  -0.0841154   1.16722  0.738238 0.338335  0.769465 0.349401  
1 1 1 44 30 28 o 0.764854 0.324029  0.403338     0.858951 1.43087      1.21076  -0.637828    1.21876  1.04008  0.404727  0.70079  0.330379  
1 1 1 44 30 29 o 0.758601 0.324704  0.449996     0.878107 0.964317     1.35574  0.0783091    1.15252  0.918118 0.3984    0.753303 0.343427  
1 1 1 44 30 30 o 0.637633 0.300475  -0.435819    1.00603  0.660733     1.49535  -1.34255     1.35977  0.866987 0.39416   0.643442 0.3149    
1 1 1 44 30 31 o 0.913747 0.366962  1.37351      1.02374  2.6065       1.41054  0.00108392   1.48816  1.11376  0.436135  0.740409 0.354522  
1 1 1 44 30 32 o 1.65852  0.344994  4.09969      1.10644  3.80746      1.62804  4.35051      1.5083   1.25419  0.474078  1.44578  0.462361  
1 1 1 44 31 0  o 0.453919 0.301557  -0.113159    0.696131 -0.113159    0.696131 -0.113159    0.696131 0.375109 0.250348  ?        ?         
1 1 1 44 31 1  o 4.52978  0.0745192 20.5599      0.675111 20.3149      0.983133 20.7784      0.928693 4.49749  0.109298  4.54976  0.10206   
1 1 1 44 31 2  o 3.76704  0.0733396 14.218       0.552547 13.4559      0.750609 15.1195      0.816363 3.66127  0.102507  3.88061  0.105185  
1 1 1 44 31 3  o 1.94179  0.152262  3.8019       0.59132  3.47718      0.877865 4.07161      0.800048 1.84594  0.237783  2.00343  0.19967   
1 1 1 44 31 4  o 2.797    0.105877  7.8546       0.592279 7.49603      0.848023 8.19609      0.82757  2.726    0.155544  2.85206  0.145083  
1 1 1 44 31 5  o 5.92807  0.08084   35.2248      0.958451 34.9453      1.32074  35.5358      1.39306  5.89801  0.111965  5.94636  0.117135  
1 1 1 44 31 6  f 6.64229  0.0846291 44.2375      1.12426  42.6218      1.59128  45.8479      1.58862  6.51037  0.122211  6.75365  0.117612  
1 1 1 44 31 7  o 3.59568  0.112106  12.9917      0.806193 13.3916      1.11388  12.5517      1.16832  3.64302  0.152879  3.52415  0.165759  
1 1 1 44 31 8  o 6.17644  0.105303  38.3162      1.3008   38.909       1.80764  37.6796      1.87333  6.21162  0.145505  6.10989  0.153303  
1 1 1 44 31 9  f 0.64506  0.28339   -0.144842    0.703216 0.649215     0.988279 -0.959206    1.00084  0.943646 0.365974  0.648511 0.304143  
1 1 1 44 31 10 o 3.13529  0.122485  9.89292      0.768052 10.1987      1.08598  9.58693      1.0864   3.17365  0.171093  3.07575  0.176607  
1 1 1 44 31 11 o 3.45106  0.114821  11.986       0.792508 12.288       1.10319  11.6639      1.13923  3.48444  0.158302  3.39227  0.167916  
1 1 1 44 31 12 o 1.35955  0.271053  1.9775       0.710908 1.68709      1.03719  2.23482      0.976322 1.24532  0.380968  1.42569  0.345521  
1 1 1 44 31 13 o 2.94128  0.147955  8.75118      0.870358 10.1751      1.18598  7.08924      1.28129  3.16051  0.187624  2.62142  0.244388  
1 1 1 44 31 14 o 2.04013  0.193236  4.25083      0.788452 3.91998      1.07578  4.63481      1.15894  1.93756  0.277612  2.10768  0.274933  
1 1 1 44 31 15 o 0.904114 0.32623   0.758234     0.757244 1.06433      1.04964  0.426006     1.09352  1.05562  0.383768  0.91087  0.374183  
1 1 1 44 31 16 o 3.97169  0.112061  15.898       0.890144 14.9149      1.29316  16.7832      1.22714  3.82765  0.168923  4.06761  0.150843  
1 1 1 44 31 17 o 1.10305  0.302837  1.33451      0.68814  2.45443      0.961221 0.157094     0.985591 1.48654  0.331805  0.814704 0.346206  
1 1 1 44 31 18 o 1.73741  0.209445  3.11731      0.727785 2.99391      1.01874  3.24593      1.04008  1.6456   0.320986  1.71774  0.314456  
1 1 1 44 31 19 o 2.12246  0.181881  4.61837      0.772072 4.28275      1.05773  5.00112      1.12955  2.01727  0.262169  2.18124  0.258924  
1 1 1 44 31 20 o 3.96202  0.114961  15.8694      0.910957 15.8663      1.25187  15.873       1.32808  3.94238  0.158771  3.93808  0.16862   
1 1 1 44 31 21 o 1.82413  0.17769   3.42034      0.648258 3.60832      0.971266 3.26933      0.870534 1.84368  0.263404  1.76105  0.247163  
1 1 1 44 31 22 o 2.96833  0.144709  9.00499      0.859091 8.68396      1.13848  9.42952      1.30921  2.88866  0.197061  2.99674  0.218439  
1 1 1 44 31 23 o 1.15932  0.326255  1.56681      0.788244 1.98412      1.10034  1.12692      1.12973  1.27516  0.392865  1.03741  0.394099  
1 1 1 44 31 24 f 0.953773 0.337877  0.993591     0.80897  0.80735      1.15281  1.17428      1.1355   0.958782 0.387598  1.04149  0.395263  
1 1 1 44 31 25 o 1.31223  0.309956  2.03403      0.80149  2.75372      1.12884  1.30237      1.13818  1.4801   0.379546  1.0578   0.397226  
1 1 1 44 31 26 o 1.03608  0.341091  1.32209      0.818572 0.074529     1.16727  2.5293       1.14824  0.796033 0.356099  1.37692  0.39581   
1 1 1 44 31 27 o 0.71837  0.312713  0.177617     0.840272 0.192001     1.16819  0.162196     1.20953  0.806833 0.358707  0.811574 0.362784  
1 1 1 44 31 28 o 1.02664  0.355045  1.42228      0.888638 0.175519     1.27641  2.59498      1.23792  0.801257 0.364247  1.309    0.418901  
1 1 1 44 31 29 o 0.665528 0.307787  -0.179222    0.967887 -0.123765    1.44103  -0.224803    1.30644  0.775838 0.364054  0.739634 0.346988  
1 1 1 44 31 30 o 0.854815 0.353205  1.03789      0.980639 0.568077     1.39108  1.50201      1.38263  0.806477 0.371449  0.939403 0.404905  
1 1 1 44 31 31 o 0.61769  0.298118  -0.518858    1.10545  -1.05975     1.67443  -0.100963    1.4718   0.675859 0.334322  0.717247 0.345629  
1 1 1 44 31 32 o 0.722622 0.328969  0.648522     1.04931  2.03587      1.5564   -0.507529    1.42075  0.890263 0.404044  0.643521 0.316993  
1 1 1 44 32 0  o 0.790897 0.379511  0.94415      0.687071 0.94415      0.687071 0.94415      0.687071 0.830954 0.313484  ?        ?         
1 1 1 44 32 1  o 3.44908  0.0819956 11.9257      0.565619 11.7535      0.808763 12.0907      0.791334 3.41944  0.11826   3.46877  0.114065  
1 1 1 44 32 2  o 4.07188  0.0725744 16.6128      0.591029 16.4547      0.822367 16.7817      0.849999 4.04861  0.101562  4.08826  0.103956  
1 1 1 44 32 3  o 4.34497  0.0869073 18.9327      0.75522  21.6177      1.13518  16.8007      1.01156  4.6363   0.122423  4.08699  0.123754  
1 1 1 44 32 4  o 1.7869   0.159147  3.22423      0.568759 4.03225      0.838804 2.53657      0.773814 1.99103  0.210645  1.57438  0.245752  
1 1 1 44 32 5  o 4.32596  0.0852219 18.7676      0.737332 18.9559      1.02461  18.5653      1.06188  4.34191  0.117991  4.29581  0.123595  
1 1 1 44 32 6  o 1.5397   0.207081  2.41112      0.637683 2.42562      0.944392 2.39897      0.864531 1.4992   0.324148  1.49821  0.299108  
1 1 1 44 32 7  o 2.39807  0.157148  5.80775      0.753704 5.22859      1.01757  6.51166      1.12183  2.26356  0.224773  2.52669  0.221997  
1 1 1 44 32 8  o 2.73832  0.139858  7.55979      0.765952 5.77171      1.02829  9.78848      1.14801  2.37908  0.216111  3.10632  0.184786  
1 1 1 44 32 9  o 0.814346 0.306921  0.530268     0.680714 0.201944     0.952217 0.873423     0.973486 0.823004 0.344534  0.996336 0.368703  
1 1 1 44 32 10 o 2.01853  0.174355  4.13632      0.70388  4.85749      0.976834 3.35748      1.01514  2.17693  0.22436   1.7971   0.28244   
1 1 1 44 32 11 o 1.66398  0.218254  2.83584      0.72634  3.55146      1.04977  2.17862      1.00603  1.84699  0.284183  1.40465  0.357188  
1 1 1 44 32 12 o 3.36646  0.126858  11.4319      0.854122 11.9128      1.21956  10.9689      1.19659  3.42208  0.178191  3.28242  0.182272  
1 1 1 44 32 13 o 2.20495  0.179001  4.95137      0.789374 5.43144      1.07994  4.40061      1.1567   2.29417  0.235366  2.05124  0.281951  
1 1 1 44 32 14 o 2.03679  0.192013  4.23971      0.782184 4.14955      1.08388  4.33769      1.12991  1.9935   0.271853  2.03641  0.277426  
1 1 1 44 32 15 o 0.585517 0.271216  -0.570663    0.755425 -0.490777    1.05069  -0.65615     1.0869   0.726707 0.330388  0.716867 0.329406  
1 1 1 44 32 16 o 4.02465  0.128376  16.3776      1.03333  15.5279      1.38715  17.4371      1.54891  3.89916  0.177877  4.12706  0.187652  
1 1 1 44 32 17 f 2.55925  0.15996   6.67451      0.818754 6.41053      1.21185  6.8962       1.11055  2.47755  0.244567  2.58216  0.215044  
1 1 1 44 32 18 o 1.53827  0.235164  2.46573      0.723492 3.10147      1.00191  1.773        1.04585  1.67909  0.309996  1.25054  0.382554  
1 1 1 44 32 19 o 0.824058 0.313392  0.570796     0.715049 0.718479     0.971712 0.39638      1.056    0.932317 0.362623  0.880323 0.365302  
1 1 1 44 32 20 o 2.31472  0.16592   5.48789      0.76812  3.95448      1.04326  7.30318      1.13511  1.92731  0.270652  2.64936  0.214224  
1 1 1 44 32 21 o 0.663247 0.292655  -0.0956744   0.75837  -0.320875    1.0258   0.175779     1.12622  0.727765 0.329306  0.845471 0.364939  
1 1 1 44 32 22 o 2.76675  0.164947  7.89753      0.912735 8.43495      1.23518  7.25109      1.35468  2.82671  0.218484  2.59157  0.261363  
1 1 1 44 32 23 o 1.68743  0.239794  3.0532       0.809272 1.72059      1.14408  4.38768      1.14489  1.19049  0.403246  1.99364  0.287135  
1 1 1 44 32 24 o 0.693178 0.300304  0.0894004    0.76795  -0.383229    1.07365  0.584503     1.09888  0.718064 0.32888   0.892881 0.371711  
1 1 1 44 32 25 f 1.0623   0.333277  1.37352      0.787075 1.13289      1.10089  1.62512      1.12571  0.998452 0.386462  1.12652  0.398622  
1 1 1 44 32 26 o 0.588205 0.277792  -0.685969    0.868989 -1.2333      1.17082  -0.0146411   1.29667  0.633765 0.306093  0.809648 0.367812  
1 1 1 44 32 27 o 0.740053 0.322387  0.263796     0.894331 1.48555      1.23802  -1.06958     1.29334  1.04346  0.408597  0.673123 0.324276  
1 1 1 44 32 28 f 2.65455  0.185231  7.696        0.983412 7.16158      1.39041  8.23096      1.3911   2.42334  0.286879  2.63451  0.264015  
1 1 1 44 32 29 o 1.14756  0.371662  1.9654       0.972344 0.958251     1.40022  2.9034       1.35129  0.897567 0.396646  1.30099  0.438244  
1 1 1 44 32 30 o 1.16896  0.389693  2.38422      1.06847  2.70229      1.51863  2.07243      1.50357  1.10004  0.444798  0.992461 0.424849  
1 1 1 44 32 31 o 0.817565 0.354367  1.0009       1.07033  2.14792      1.55374  -0.0350315   1.47657  0.973925 0.424592  0.720581 0.346979  
1 1 1 44 33 0  o 3.23809  0.12037   10.5586      0.777094 10.5586      0.777094 10.5586      0.777094 3.24377  0.0848303 ?        ?         
1 1 1 44 33 1  o 3.64158  0.0814454 13.2961      0.59318  12.9057      0.853376 13.661       0.825104 3.58232  0.119109  3.68688  0.111897  
1 1 1 44 33 2  o 2.94569  0.086328  8.70284      0.508591 8.28741      0.695737 9.17962      0.745335 2.87036  0.121193  3.0206   0.123375  
1 1 1 44 33 3  o 0.768372 0.284469  0.487078     0.579619 0.516136     0.856924 0.462571     0.786948 0.869256 0.340031  0.831353 0.325719  
1 1 1 44 33 4  o 3.97804  0.0872641 15.8732      0.694279 16.5419      1.00367  15.2596      0.961408 4.0546   0.12377   3.89434  0.123437  
1 1 1 44 33 5  o 1.56937  0.204367  2.50466      0.641454 2.37356      0.970764 2.60627      0.854604 1.47939  0.335716  1.56654  0.283146  
1 1 1 44 33 6  o 3.43352  0.117663  11.8597      0.807999 11.7972      1.12418  11.9264      1.16213  3.41464  0.164611  3.43213  0.169302  
1 1 1 44 33 7  o 3.07072  0.129415  9.50328      0.794795 11.7477      1.13207  7.32168      1.11612  3.40558  0.166208  2.67884  0.208321  
1 1 1 44 33 8  o 2.73949  0.135255  7.57323      0.74106  7.57458      1.01793  7.57171      1.08094  2.72879  0.186517  2.72526  0.198318  
1 1 1 44 33 9  o 3.1997   0.118605  10.3109      0.759001 10.6002      1.06603  10.0134      1.08091  3.2337   0.164831  3.14102  0.172063  
1 1 1 44 33 10 o 3.13072  0.127856  9.88533      0.800563 9.77335      1.11034  10.0066      1.15533  3.10023  0.179074  3.13549  0.184235  
1 1 1 44 33 11 o 2.92759  0.143506  8.66982      0.840255 8.63999      1.18295  8.70021      1.19372  2.90566  0.20356   2.91538  0.204728  
1 1 1 44 33 12 o 1.27464  0.315368  1.78301      0.800596 1.52395      1.11276  2.06102      1.15272  1.19445  0.397688  1.35647  0.398751  
1 1 1 44 33 13 o 1.83845  0.209783  3.46954      0.77135  2.01425      1.03018  5.32643      1.16368  1.34157  0.371504  2.26306  0.257104  
1 1 1 44 33 14 o 1.41706  0.282052  2.17305      0.771007 3.29487      1.07784  0.997519     1.10334  1.73522  0.322638  1.0446   0.391331  
1 1 1 44 33 15 o 3.26519  0.142605  10.8087      0.931264 11.3273      1.36298  10.3547      1.27539  3.31838  0.205368  3.17464  0.200872  
1 1 1 44 33 16 o 3.33633  0.145686  11.307       0.972115 13.0401      1.39087  9.65187      1.35924  3.56108  0.195287  3.0511   0.222745  
1 1 1 44 33 17 o 3.4907   0.132625  12.3477      0.925909 11.8888      1.29426  12.8288      1.32515  3.40153  0.190247  3.53483  0.187442  
1 1 1 44 33 18 o 2.06936  0.174208  4.38587      0.720995 4.87896      1.00676  3.8667       1.03304  2.16262  0.232763  1.91154  0.270211  
1 1 1 44 33 19 o 1.00846  0.309594  1.11884      0.684144 0.920134     0.938281 1.34441      0.999688 0.975565 0.361783  1.10741  0.376941  
1 1 1 44 33 20 o 2.85727  0.14097   8.32325      0.80558  8.06292      1.09442  8.63109      1.1901   2.78753  0.196308  2.87838  0.206731  
1 1 1 44 33 21 o 2.39047  0.180363  5.92576      0.862306 4.96793      1.2484   6.79972      1.19249  2.12672  0.293503  2.52858  0.235803  
1 1 1 44 33 22 o 0.874268 0.327024  0.749433     0.769937 0.907057     1.06361  0.575899     1.11599  0.970266 0.378971  0.90687  0.375879  
1 1 1 44 33 23 f 0.806219 0.31825   0.548517     0.755953 1.0375       1.07176  0.0644016    1.06642  0.994187 0.382048  0.78914  0.347773  
1 1 1 44 33 24 o 1.01282  0.334625  1.21941      0.787831 0.221998     1.1089   2.23598      1.1195   0.81668  0.357343  1.31303  0.394626  
1 1 1 44 33 25 o 0.954786 0.339107  1.08493      0.815341 0.509151     1.14417  1.67898      1.16218  0.861905 0.36984   1.12643  0.404377  
1 1 1 44 33 26 o 0.586326 0.27998   -0.807282    0.912222 -1.9023      1.27774  0.331087     1.30278  0.607072 0.299014  0.851349 0.378643  
1 1 1 44 33 27 o 1.51216  0.303029  2.86008      0.884129 3.24349      1.24239  2.46669      1.25846  1.48538  0.406517  1.25807  0.422922  
1 1 1 44 33 28 o 1.03585  0.369666  1.56526      0.969944 0.326931     1.43461  2.60795      1.31642  0.824693 0.37874   1.25026  0.432157  
1 1 1 44 33 29 o 0.583653 0.281816  -0.694204    0.990573 -1.97694     1.46588  0.383833     1.34383  0.603054 0.300654  0.774619 0.359931  
1 1 1 44 33 30 o 0.618532 0.295065  -0.316257    1.00676  -1.39505     1.32025  1.18257      1.5562   0.595037 0.294953  0.854011 0.393152  
1 1 1 44 33 31 o 0.544512 0.268195  -0.884881    1.03088  -1.33157     1.48964  -0.474359    1.42807  0.597514 0.298621  0.641666 0.316053  
1 1 1 44 34 0  o 2.75392  0.139797  7.67387      0.765453 7.67387      0.765453 7.67387      0.765453 2.76209  0.0982615 ?        ?         
1 1 1 44 34 1  o 2.15654  0.121106  4.68003      0.522339 4.79811      0.748535 4.56795      0.729242 2.17656  0.171953  2.12376  0.171686  
1 1 1 44 34 2  o 3.02487  0.0911832 9.1832       0.551635 9.2556       0.726299 9.08449      0.848032 3.03275  0.119743  3.00089  0.141297  
1 1 1 44 34 3  o 4.39593  0.089758  19.3945      0.78914  19.1688      1.1697   19.583       1.0691   4.36052  0.134124  4.41064  0.121195  
1 1 1 44 34 4  o 4.20636  0.0922785 17.7645      0.776313 18.7556      1.19749  17.046       1.01959  4.31127  0.138879  4.11385  0.123921  
1 1 1 44 34 5  o 0.901954 0.303908  0.808121     0.649833 0.404001     0.907903 1.23263      0.930519 0.852762 0.344288  1.09306  0.363667  
1 1 1 44 34 6  o 0.683944 0.291402  0.0426648    0.701505 0.588663     0.953291 -0.60221     1.03602  0.912591 0.358288  0.709886 0.32427   
1 1 1 44 34 7  o 1.13689  0.302353  1.40017      0.699593 1.39008      0.973861 1.41092      1.00565  1.14701  0.371999  1.15674  0.378064  
1 1 1 44 34 8  o 3.06424  0.12879   9.47071      0.789284 9.35658      1.07258  9.6055       1.16566  3.0342   0.176748  3.07052  0.189814  
1 1 1 44 34 9  o 4.99621  0.112143  25.1349      1.12058  25.569       1.50864  24.6006      1.67365  5.0254   0.150101  4.92074  0.170061  
1 1 1 44 34 10 o 2.69583  0.15315   7.36536      0.82573  8.29779      1.1515   6.37835      1.18472  2.84724  0.202214  2.48519  0.238357  
1 1 1 44 34 11 o 3.7765   0.122512  14.3881      0.925332 15.1639      1.34461  13.6902      1.27537  3.85971  0.174185  3.66747  0.173876  
1 1 1 44 34 12 o 3.8553   0.122183  14.9992      0.942101 14.4399      1.27837  15.6639      1.39376  3.76668  0.169694  3.91973  0.177788  
1 1 1 44 34 13 o 2.24778  0.180689  5.15873      0.812302 3.48719      1.13668  6.90332      1.16125  1.78162  0.331381  2.58548  0.224571  
1 1 1 44 34 14 o 1.89862  0.212212  3.71683      0.805822 4.21155      1.1039   3.15249      1.17902  2.00033  0.275929  1.67384  0.362422  
1 1 1 44 34 15 o 2.86115  0.152115  8.3275       0.870447 7.95875      1.20761  8.72626      1.2558   2.77265  0.217771  2.90397  0.216221  
1 1 1 44 34 16 o 2.36971  0.182647  5.75787      0.865642 5.31511      1.25442  6.16039      1.19606  2.2396   0.280056  2.42658  0.246451  
1 1 1 44 34 17 o 2.72935  0.163993  7.60856      0.895188 8.40117      1.29556  6.88441      1.23835  2.84036  0.228063  2.56509  0.241386  
1 1 1 44 34 18 o 0.677725 0.299206  -0.119704    0.794156 -0.0587291   1.09575  -0.187173    1.15262  0.80196  0.353026  0.799239 0.355791  
1 1 1 44 34 19 o 2.10628  0.191808  4.59311      0.808    4.5158       1.2118   4.655        1.08419  2.04066  0.296913  2.09132  0.259212  
1 1 1 44 34 20 o 1.15576  0.328262  1.54493      0.794407 2.80986      1.20872  0.583063     1.05402  1.52106  0.394189  0.901208 0.36831   
1 1 1 44 34 21 o 1.81065  0.226541  3.48496      0.820372 4.0715       1.19841  2.96772      1.12539  1.90583  0.314407  1.57496  0.364252  
1 1 1 44 34 22 o 0.860186 0.322044  0.73052      0.746996 1.0913       1.0463   0.355452     1.06682  1.00821  0.380362  0.844549 0.359578  
1 1 1 44 34 23 o 0.587915 0.271533  -0.412881    0.750086 -0.631531    1.07323  -0.204089    1.04876  0.67991  0.318132  0.732075 0.332024  
1 1 1 44 34 24 o 0.647076 0.294602  -0.236488    0.841911 -0.517614    1.13604  0.106027     1.25396  0.704155 0.328633  0.821329 0.368206  
1 1 1 44 34 25 o 1.27243  0.349654  2.07561      0.916848 1.69502      1.27512  2.483        1.31924  1.11867  0.420374  1.31396  0.433015  
1 1 1 44 34 26 o 1.77266  0.255036  3.62298      0.904183 3.46575      1.29604  3.77207      1.26205  1.54757  0.411511  1.65122  0.388252  
1 1 1 44 34 27 o 0.929773 0.351512  1.15963      0.895181 1.15663      1.3323   1.1621       1.20866  0.940637 0.401203  0.936906 0.389925  
1 1 1 44 34 28 o 1.0047   0.369683  1.54249      0.976544 0.282827     1.3896   2.77161      1.37265  0.792783 0.367462  1.2362   0.4399    
1 1 1 44 34 29 o 0.690603 0.315451  0.250643     0.980344 1.10122      1.36183  -0.664254    1.41238  0.846578 0.381439  0.667066 0.325297  
1 1 1 44 34 30 o 0.693087 0.32234   0.228094     1.08092  0.823521     1.49862  -0.417569    1.56056  0.799004 0.374262  0.695048 0.3395    
1 1 1 44 35 0  f 0.764392 0.390723  0.895913     0.746866 0.895913     0.746866 0.895913     0.746866 0.787077 0.333365  ?        ?         
1 1 1 44 35 1  o 2.83028  0.0995854 8.05029      0.56371  7.79129      0.805912 8.2984       0.788776 2.77675  0.145118  2.8672   0.137551  
1 1 1 44 35 2  o 3.32587  0.0905294 11.107       0.602178 11.2541      0.806745 10.9219      0.904899 3.34256  0.120678  3.28929  0.137552  
1 1 1 44 35 3  o 2.37402  0.13621   5.68869      0.646732 4.84697      0.960283 6.38738      0.874902 2.17509  0.220746  2.50821  0.174408  
1 1 1 44 35 4  o 3.57626  0.100775  12.8555      0.720797 13.5997      1.09601  12.2882      0.956829 3.66708  0.149439  3.48887  0.137126  
1 1 1 44 35 5  o 2.43378  0.157949  5.99923      0.768823 4.92068      1.05068  7.24234      1.12799  2.18598  0.240324  2.66054  0.211985  
1 1 1 44 35 6  o 5.91007  0.104189  35.1307      1.23153  35.4801      1.69466  34.7397      1.79278  5.92425  0.143027  5.85753  0.153032  
1 1 1 44 35 7  o 3.06922  0.134063  9.51415      0.82294  9.99428      1.18882  9.0724       1.14032  3.13005  0.189905  2.98179  0.191214  
1 1 1 44 35 8  o 2.32949  0.178856  5.52605      0.833289 4.48954      1.1475   6.68243      1.21204  2.07367  0.276684  2.54383  0.238231  
1 1 1 44 35 9  o 4.02887  0.120825  16.3705      0.973579 17.2115      1.33841  15.4254      1.4188   4.11691  0.162551  3.88977  0.182376  
1 1 1 44 35 10 o 3.28929  0.136208  10.9404      0.896058 9.59392      1.27657  12.2482      1.25806  3.05733  0.208773  3.46535  0.181521  
1 1 1 44 35 11 o 1.81969  0.230433  3.42113      0.838631 4.84574      1.19044  2.01757      1.18161  2.14984  0.276867  1.33796  0.406094  
1 1 1 44 35 12 o 3.90299  0.121677  15.3819      0.949806 15.5305      1.39304  15.2527      1.29841  3.89998  0.178596  3.86964  0.167768  
1 1 1 44 35 13 o 0.988109 0.333523  1.01343      0.782653 0.235657     1.03121  2.07015      1.20199  0.844616 0.356288  1.34553  0.409819  
1 1 1 44 35 14 o 1.84384  0.21684   3.51944      0.799639 3.54228      1.07826  3.49152      1.192    1.8235   0.295656  1.76544  0.350037  
1 1 1 44 35 15 o 2.07036  0.200967  4.41823      0.832147 4.51168      1.2245   4.33803      1.13433  2.05568  0.297834  2.02305  0.280352  
1 1 1 44 35 16 o 0.698959 0.306361  -0.0759199   0.817964 1.31034      1.21212  -1.23503     1.10838  1.12826  0.412185  0.647509 0.309058  
1 1 1 44 35 17 o 0.639872 0.290654  -0.356378    0.809225 0.1212       1.125    -0.868418    1.16488  0.842826 0.364281  0.707907 0.331301  
1 1 1 44 35 18 o 2.11034  0.202133  4.62651      0.853142 4.88647      1.22651  4.38282      1.18749  2.12831  0.288141  2.01206  0.295093  
1 1 1 44 35 19 o 2.58138  0.169763  6.8744       0.876448 7.69665      1.27332  6.13408      1.20821  2.69269  0.23644   2.39425  0.252315  
1 1 1 44 35 20 o 2.04585  0.196245  4.38193      0.802975 4.07975      1.15904  4.66082      1.11349  1.91638  0.302403  2.07002  0.268956  
1 1 1 44 35 21 o 1.2117   0.322704  1.72577      0.796233 1.79795      1.16802  1.6631       1.08829  1.2078   0.407443  1.1705   0.39329   
1 1 1 44 35 22 f 1.27338  0.310196  1.9149       0.783799 1.23273      1.14588  2.51472      1.07448  1.04296  0.396701  1.4196   0.373416  
1 1 1 44 35 23 o 0.665376 0.300315  -0.155631    0.847805 0.871105     1.17308  -1.27834     1.22667  0.945912 0.387895  0.652705 0.314775  
1 1 1 44 35 24 o 0.698745 0.31127   -0.00216527  0.883576 0.64513      1.21225  -0.735777    1.29055  0.896407 0.38253   0.719774 0.339516  
1 1 1 44 35 25 o 0.967098 0.347223  1.18495      0.856898 1.1912       1.20619  1.17858      1.21756  0.979814 0.396318  0.977668 0.397089  
1 1 1 44 35 26 o 0.754243 0.325095  0.420831     0.891287 0.663848     1.30029  0.205457     1.2241   0.863598 0.381856  0.784112 0.35652   
1 1 1 44 35 27 o 0.888569 0.355125  1.03089      0.952166 1.14141      1.39771  0.935186     1.30065  0.929724 0.403994  0.890857 0.388425  
1 1 1 44 35 28 o 0.779553 0.336375  0.731013     0.956216 -0.0290195   1.32043  1.56911      1.38658  0.719512 0.341039  0.933684 0.403997  
1 1 1 44 35 29 o 0.613209 0.29344   -0.398822    1.01567  -1.10976     1.33709  0.570995     1.56166  0.620067 0.305408  0.792649 0.37377   
1 1 1 44 35 30 o 0.976959 0.376655  2.04909      1.04358  1.36439      1.49681  2.69673      1.45573  0.787077 0.369635  0.967331 0.41619   
1 1 1 44 36 0  o 3.44665  0.13089   11.9844      0.899307 11.9844      0.899307 11.9844      0.899307 3.45428  0.0921947 ?        ?         
1 1 1 44 36 1  o 2.38093  0.116747  5.71003      0.555935 5.82721      0.784375 5.59175      0.78806  2.39687  0.163625  2.34707  0.167882  
1 1 1 44 36 2  o 4.79778  0.0813406 23.1007      0.780509 24.4914      1.07204  21.532       1.13858  4.93318  0.108656  4.62136  0.123187  
1 1 1 44 36 3  o 4.22822  0.104544  17.9847      0.884073 17.6003      1.3527   18.2714      1.16806  4.16522  0.162381  4.25253  0.137337  
1 1 1 44 36 4  o 0.468262 0.22785   -1.15471     0.680391 -0.739678    0.962484 -1.56929     0.961952 0.656788 0.304961  0.559057 0.271681  
1 1 1 44 36 5  o 2.32555  0.181875  5.51026      0.845918 5.97109      1.13024  4.92336      1.27551  2.40584  0.234896  2.1657   0.29448   
1 1 1 44 36 6  o 4.64831  0.110007  21.7581      1.0227   21.3128      1.42152  22.2358      1.47244  4.58472  0.155028  4.68202  0.157244  
1 1 1 44 36 7  o 1.1409   0.324551  1.42215      0.775952 1.29323      1.05283  1.57545      1.14807  1.12049  0.386557  1.21187  0.403948  
1 1 1 44 36 8  o 4.49282  0.11417   20.3438      1.02589  22.0299      1.44035  18.6078      1.46153  4.66007  0.154541  4.27607  0.170896  
1 1 1 44 36 9  o 1.11258  0.339635  1.34523      0.82493  1.58036      1.16084  1.10534      1.1725   1.21093  0.406188  1.08605  0.404092  
1 1 1 44 36 10 o 2.40382  0.173296  5.89036      0.833142 5.95109      1.17796  5.82956      1.17853  2.39283  0.246143  2.36725  0.248923  
1 1 1 44 36 11 f 2.14708  0.177957  4.70924      0.764178 5.91667      1.07519  3.47669      1.08632  2.39167  0.224779  1.80997  0.300093  
1 1 1 44 36 12 o 5.79088  0.104496  33.8024      1.21025  34.3716      1.67478  33.1803      1.75085  5.81893  0.143908  5.71149  0.153274  
1 1 1 44 36 13 o 0.739707 0.311177  0.167236     0.783052 0.269903     1.05132  0.0393126    1.17354  0.855559 0.360268  0.850882 0.369965  
1 1 1 44 36 14 o 2.33339  0.180544  5.58037      0.84256  5.11115      1.19998  6.03665      1.18332  2.199    0.272847  2.40181  0.246338  
1 1 1 44 36 15 o 0.796935 0.328256  0.323596     0.843793 1.118        1.20871  -0.431563    1.17847  1.07891  0.408291  0.774132 0.351404  
1 1 1 44 36 16 o 1.74149  0.2466    3.1948       0.858899 2.20992      1.24859  4.07949      1.18337  1.36621  0.418002  1.94218  0.304649  
1 1 1 44 36 17 o 1.23853  0.333689  1.75592      0.845249 1.96557      1.20249  1.55117      1.18836  1.28976  0.412875  1.17395  0.410135  
1 1 1 44 36 18 o 0.945253 0.338782  0.929309     0.815424 0.394261     1.1668   1.4401       1.14004  0.892201 0.377801  1.12797  0.400947  
1 1 1 44 36 19 f 3.11292  0.146709  9.94281      0.913386 9.66061      1.25441  10.2613      1.33258  3.03094  0.206933  3.11871  0.213643  
1 1 1 44 36 20 o 1.6478   0.250797  2.93419      0.826527 2.11525      1.13243  3.86779      1.2091   1.3038   0.397918  1.81322  0.345824  
1 1 1 44 36 21 o 1.75012  0.228872  3.29451      0.801106 2.81596      1.17249  3.71352      1.09713  1.49562  0.388536  1.78369  0.319072  
1 1 1 44 36 22 o 0.766405 0.321718  0.355057     0.834031 0.655632     1.14777  0.0187825    1.21401  0.901807 0.377929  0.806352 0.361873  
1 1 1 44 36 23 o 0.84054  0.336711  0.673256     0.858831 0.393182     1.2047   0.962695     1.22468  0.852941 0.37284   0.961558 0.395662  
1 1 1 44 36 24 o 1.77647  0.252806  3.5725       0.898201 3.72764      1.32242  3.43963      1.2238   1.64719  0.403954  1.60022  0.386231  
1 1 1 44 36 25 o 0.59736  0.280072  -0.438953    0.846438 -0.897042    1.16618  0.0710504    1.23049  0.644618 0.309901  0.773041 0.353234  
1 1 1 44 36 26 o 1.39082  0.339817  2.62479      0.938489 1.15417      1.34749  4.01016      1.30784  0.937003 0.401687  1.64887  0.400089  
1 1 1 44 36 27 o 0.834869 0.346336  0.950285     0.948747 1.98977      1.31151  -0.190854    1.37414  1.03712  0.41583   0.721373 0.344268  
1 1 1 44 36 28 o 1.48692  0.336096  3.27178      0.976102 3.34225      1.33785  3.19156      1.42733  1.28495  0.436058  1.20599  0.446418  
1 1 1 44 36 29 o 0.627031 0.297159  -0.127168    1.00216  0.983188     1.42504  -1.21363     1.40962  0.800204 0.371368  0.610026 0.302825  
1 1 1 44 37 0  o 3.60515  0.125622  13.1034      0.903279 13.1034      0.903279 13.1034      0.903279 3.61252  0.0885229 ?        ?         
1 1 1 44 37 1  o 4.16675  0.0807438 17.4274      0.672879 17.2441      0.930099 17.6287      0.974652 4.13745  0.1124    4.18219  0.116524  
1 1 1 44 37 2  o 4.09592  0.0870445 16.8504      0.713054 17.5812      0.93927  15.8564      1.09548  4.17764  0.112416  3.96     0.138318  
1 1 1 44 37 3  o 2.64165  0.130312  7.04763      0.688476 7.012        1.06288  7.07339      0.903685 2.61658  0.203104  2.63699  0.171348  
1 1 1 44 37 4  o 1.15312  0.325943  1.45513      0.785051 0.822747     1.0929   2.12927      1.12841  1.00136  0.385581  1.37639  0.391327  
1 1 1 44 37 5  o 1.90226  0.202727  3.7077       0.77128  3.50014      1.07787  3.92548      1.10412  1.82361  0.295531  1.9345   0.285375  
1 1 1 44 37 6  o 0.824217 0.319398  0.508316     0.75242  1.2788       1.03281  -0.36312     1.09838  1.11164  0.382926  0.765178 0.343782  
1 1 1 44 37 7  o 1.92436  0.198049  3.7938       0.762234 3.26633      1.07893  4.31939      1.077    1.72752  0.324229  2.0338   0.264775  
1 1 1 44 37 8  f 3.77379  0.121679  14.3777      0.918385 13.1571      1.37524  15.3601      1.23382  3.58466  0.191823  3.8875   0.158691  
1 1 1 44 37 9  o 2.72025  0.15595   7.52063      0.848445 8.5414       1.20872  6.52917      1.19124  2.88025  0.209829  2.50812  0.237476  
1 1 1 44 37 10 o 2.50495  0.15953   6.38871      0.799232 7.13101      1.07741  5.48044      1.19179  2.63143  0.20472   2.28641  0.260625  
1 1 1 44 37 11 o 1.2994   0.292817  1.85947      0.742749 2.73385      1.0402   0.949922     1.06091  1.56048  0.34262   1.016    0.383094  
1 1 1 44 37 12 o 2.28057  0.181444  5.33064      0.827592 5.32816      1.12969  5.33352      1.21584  2.25527  0.250455  2.24796  0.270432  
1 1 1 44 37 13 o 0.863057 0.331403  0.612441     0.80594  0.608267     1.14136  0.616592     1.13819  0.95104  0.385174  0.952128 0.38504   
1 1 1 44 37 14 o 1.05259  0.346108  1.20518      0.842833 1.18859      1.20887  1.22087      1.17571  1.09426  0.409681  1.09734  0.40537   
1 1 1 44 37 15 o 1.93882  0.232176  3.93744      0.900292 4.09627      1.31161  3.79593      1.23799  1.89682  0.358799  1.82917  0.350921  
1 1 1 44 37 16 o 2.05985  0.205281  4.41561      0.845697 4.55928      1.19925  4.27349      1.19277  2.05263  0.292126  1.98273  0.30079   
1 1 1 44 37 17 o 1.46949  0.2876    2.41606      0.81511  1.75986      1.1466   3.08651      1.15898  1.21667  0.403689  1.61634  0.366839  
1 1 1 44 37 18 o 0.838178 0.329251  0.595052     0.805448 2.24594      1.16442  -0.919555    1.11532  1.34887  0.401875  0.671498 0.316416  
1 1 1 44 37 19 f 3.89974  0.143495  15.6066      1.11919  17.1636      1.5065   13.689       1.67193  4.05447  0.185783  3.57718  0.233694  
1 1 1 44 37 20 o 1.47301  0.291871  2.48974      0.829284 1.68552      1.15778  3.33703      1.18839  1.16597  0.405065  1.65129  0.369188  
1 1 1 44 37 21 o 1.25075  0.327405  1.89835      0.828552 0.641545     1.13296  3.34332      1.21482  0.89884  0.376017  1.62413  0.380295  
1 1 1 44 37 22 o 1.20385  0.341664  1.82681      0.86091  1.53898      1.19589  2.13644      1.24034  1.09039  0.407625  1.24262  0.419868  
1 1 1 44 37 23 f 0.930367 0.343306  1.02099      0.842784 1.50363      1.2349   0.600204     1.15305  1.06975  0.410382  0.872572 0.372738  
1 1 1 44 37 24 o 1.92566  0.234109  4.19731      0.901628 4.87555      1.23585  3.42551      1.31833  1.98963  0.310573  1.52052  0.41992   
1 1 1 44 37 25 o 0.597491 0.280703  -0.443812    0.86511  -0.0875281   1.21475  -0.810495    1.23235  0.738798 0.342871  0.66331  0.318811  
1 1 1 44 37 26 o 1.54305  0.325316  3.20939      0.972588 3.49369      1.31908  2.87071      1.43972  1.45484  0.426201  1.24443  0.449747  
1 1 1 44 37 27 o 0.905987 0.352002  1.31416      0.915113 1.40978      1.2874   1.21651      1.30104  0.899404 0.389223  0.868011 0.383123  
1 1 1 44 37 28 o 1.04861  0.380426  1.97137      1.03097  0.225524     1.43132  3.85377      1.48625  0.741706 0.353219  1.33655  0.459458  
1 1 1 44 38 0  o 3.5143   0.130936  12.466       0.917398 12.466       0.917398 12.466       0.917398 3.52251  0.0922218 ?        ?         
1 1 1 44 38 1  o 3.81004  0.0869062 14.5835      0.662233 15.4348      0.948661 13.7744      0.924869 3.91102  0.121281  3.69357  0.1252    
1 1 1 44 38 2  o 5.06362  0.0909129 25.7706      0.920698 25.9074      1.31366  25.6386      1.29077  5.06357  0.129716  5.03787  0.128107  
1 1 1 44 38 3  o 2.68306  0.126452  7.27021      0.678554 9.14628      1.09049  6.08486      0.866805 2.99331  0.182155  2.44276  0.177423  
1 1 1 44 38 4  o 2.60882  0.164822  6.92229      0.859983 6.14582      1.23955  7.64288      1.19412  2.42932  0.255123  2.72328  0.219243  
1 1 1 44 38 5  o 4.38323  0.103945  19.346       0.911227 20.6919      1.32983  18.1548      1.25111  4.51728  0.147194  4.23103  0.147849  
1 1 1 44 38 6  o 3.24068  0.134089  10.6264      0.869078 9.94817      1.30127  11.1725      1.16768  3.10939  0.209249  3.30864  0.176459  
1 1 1 44 38 7  o 2.26363  0.181212  5.23867      0.820396 4.25249      1.20444  6.09222      1.12053  2.00132  0.300912  2.42451  0.231083  
1 1 1 44 38 8  o 2.22635  0.182789  5.07502      0.813905 5.69076      1.15818  4.47423      1.14402  2.33486  0.248019  2.05934  0.277765  
1 1 1 44 38 9  o 2.28633  0.173265  5.34431      0.792282 4.63779      1.10565  6.08998      1.13587  2.10017  0.263229  2.41874  0.234807  
1 1 1 44 38 10 o 2.4767   0.163554  6.25773      0.810147 5.08534      1.09042  7.70229      1.21039  2.20482  0.247281  2.7251   0.222082  
1 1 1 44 38 11 o 2.65658  0.165525  7.20502      0.879462 6.44997      1.24729  7.95155      1.24024  2.48046  0.251423  2.76724  0.224093  
1 1 1 44 38 12 o 2.02678  0.209932  4.25053      0.850973 3.8466       1.27451  4.57545      1.1431   1.84664  0.357863  2.07795  0.275055  
1 1 1 44 38 13 o 1.13557  0.345316  1.45245      0.853854 1.2821       1.24124  1.60549      1.17643  1.1187   0.415861  1.19611  0.408907  
1 1 1 44 38 14 o 1.68221  0.256122  2.99383      0.861699 3.01676      1.23936  2.97237      1.1989   1.60386  0.389663  1.597    0.38029   
1 1 1 44 38 15 o 2.63651  0.168797  7.14743      0.890067 6.61256      1.221    7.75395      1.30022  2.49904  0.244295  2.70876  0.240002  
1 1 1 44 38 16 o 2.04709  0.206778  4.38948      0.846586 4.36079      1.21967  4.41616      1.17603  1.98656  0.30698   2.00772  0.292877  
1 1 1 44 38 17 o 0.883379 0.329824  0.767168     0.782465 0.399299     1.11358  1.12592      1.09969  0.872445 0.369243  1.03279  0.389854  
1 1 1 44 38 18 o 1.25622  0.324934  1.85296      0.822311 2.43958      1.17076  1.28179      1.15524  1.39835  0.398935  1.07272  0.400712  
1 1 1 44 38 19 o 1.0074   0.348983  1.16706      0.858862 0.876176     1.15354  1.52889      1.28655  0.966486 0.388954  1.13043  0.422754  
1 1 1 44 38 20 o 1.13327  0.34683   1.57843      0.859519 1.5972       1.19881  1.55857      1.23299  1.12654  0.410076  1.11734  0.414653  
1 1 1 44 38 21 o 1.70795  0.256324  3.26675      0.875578 2.2859       1.20363  4.36916      1.27605  1.29073  0.41306   1.87351  0.353472  
1 1 1 44 38 22 f 0.62605  0.286913  -0.286764    0.818528 -0.766851    1.17642  0.163746     1.13961  0.681573 0.322512  0.795924 0.354061  
1 1 1 44 38 23 o 0.890272 0.339101  0.948264     0.838251 0.429197     1.20078  1.44167      1.17072  0.830959 0.367249  1.02634  0.398267  
1 1 1 44 38 24 o 1.26587  0.342287  2.18823      0.887386 1.77002      1.26011  2.59967      1.24986  1.06614  0.4133    1.27759  0.421475  
1 1 1 44 38 25 o 0.774613 0.334063  0.529052     0.942151 0.174015     1.26907  0.965007     1.40627  0.774444 0.355896  0.901495 0.398055  
1 1 1 44 38 26 o 0.616948 0.289408  -0.200743    0.908152 -0.275298    1.31598  -0.132955    1.25484  0.694482 0.332736  0.698236 0.331667  
1 1 1 44 38 27 o 1.44896  0.342575  3.13551      0.978341 2.6816       1.32002  3.68875      1.45731  1.14131  0.427941  1.32331  0.454957  
1 1 1 44 38 28 o 1.06207  0.378503  2.24752      1.01657  2.60701      1.42085  1.87052      1.45504  0.989252 0.417803  0.869979 0.393004  
1 1 1 44 39 0  o 4.31863  0.126304  18.7963      1.08881  18.7963      1.08881  18.7963      1.08881  4.32705  0.0890489 ?        ?         
1 1 1 44 39 1  o 2.83749  0.107434  8.11286      0.609683 8.64334      0.863037 7.58438      0.861409 2.91885  0.147839  2.73152  0.15768   
1 1 1 44 39 2  o 1.43327  0.216998  2.11873      0.622032 2.41115      0.944504 1.89476      0.826609 1.47472  0.328727  1.30819  0.318479  
1 1 1 44 39 3  o 2.93959  0.122444  8.72869      0.719871 8.66623      1.18711  8.76501      0.905321 2.90311  0.204455  2.93709  0.154119  
1 1 1 44 39 4  o 3.19476  0.151165  10.3675      0.965872 8.81489      1.58997  11.2756      1.21595  2.89458  0.274645  3.3197   0.183141  
1 1 1 44 39 5  o 1.58237  0.26184   2.62589      0.828653 2.97499      1.31181  2.3941       1.06892  1.60304  0.408016  1.45215  0.367539  
1 1 1 44 39 6  o 0.871989 0.335447  0.618678     0.826764 0.981754     1.25905  0.343435     1.09623  1.06281  0.412894  0.885423 0.370102  
1 1 1 44 39 7  o 3.41645  0.134111  11.8291      0.916366 10.8155      1.34804  12.6999      1.24945  3.23676  0.208239  3.5226   0.177347  
1 1 1 44 39 8  o 3.29452  0.134743  11.0026      0.887831 11.7         1.3004   10.3937      1.2151   3.37357  0.192734  3.18042  0.191028  
1 1 1 44 39 9  o 1.51424  0.284327  2.49953      0.829356 3.12699      1.18449  1.89608      1.16162  1.65805  0.366949  1.28839  0.405017  
1 1 1 44 39 10 o 3.0732   0.150587  9.60965      0.925567 8.8171       1.32476  10.3655      1.2937   2.91178  0.227482  3.16899  0.204118  
1 1 1 44 39 11 f 0.935135 0.342223  0.840755     0.835876 0.247193     1.2059   1.38968      1.15967  0.892571 0.38123   1.1393   0.404444  
1 1 1 44 39 12 o 2.53424  0.171009  6.58724      0.866757 6.53241      1.21957  6.64319      1.23208  2.49126  0.24477   2.51206  0.245234  
1 1 1 44 39 13 o 2.21016  0.201102  5.06467      0.888935 4.45729      1.2592   5.6681       1.2551   2.02383  0.311094  2.30414  0.272357  
1 1 1 44 39 14 o 2.05513  0.203326  4.40268      0.835721 3.97735      1.14917  4.88016      1.21758  1.90807  0.301133  2.12186  0.286913  
1 1 1 44 39 15 o 1.5066   0.283185  2.53596      0.821909 2.71392      1.16221  2.35791      1.1625   1.49796  0.385701  1.38897  0.39793   
1 1 1 44 39 16 o 1.08749  0.338089  1.37565      0.812431 0.685703     1.17687  2.00379      1.12293  0.944401 0.388107  1.27785  0.397521  
1 1 1 44 39 17 o 0.882647 0.332009  0.766681     0.795779 0.501743     1.10829  1.04864      1.14333  0.886842 0.371502  1.01323  0.393498  
1 1 1 44 39 18 o 0.582452 0.274774  -0.746663    0.845775 -0.159427    1.16666  -1.39717     1.2279   0.780275 0.352226  0.652973 0.314911  
1 1 1 44 39 19 o 2.48723  0.184788  6.52034      0.91922  7.48183      1.26306  5.43761      1.34032  2.61688  0.24133   2.17346  0.308339  
1 1 1 44 39 20 o 2.09396  0.207464  4.72707      0.868842 3.80097      1.26675  5.54975      1.19393  1.71863  0.378733  2.21405  0.269626  
1 1 1 44 39 21 o 1.06729  0.338849  1.43368      0.811181 2.28286      1.16088  0.623433     1.13396  1.28764  0.404911  0.876637 0.371891  
1 1 1 44 39 22 o 1.00556  0.347264  1.3154       0.849857 0.632939     1.18358  2.04177      1.22105  0.865988 0.37396   1.17763  0.415316  
1 1 1 44 39 23 o 1.10299  0.349799  1.68524      0.864626 2.59255      1.19107  0.674479     1.25714  1.30059  0.410361  0.860925 0.378561  
1 1 1 44 39 24 o 1.04547  0.357025  1.56801      0.896841 0.97366      1.26198  2.17446      1.27477  0.897368 0.386811  1.14754  0.422363  
1 1 1 44 39 25 f 0.944232 0.357122  1.39936      0.92429  1.39612      1.30855  1.40258      1.30574  0.918718 0.394911  0.919957 0.394932  
1 1 1 44 39 26 f 0.796393 0.337215  0.896566     0.929493 2.08831      1.31108  -0.307687    1.31795  1.00611  0.41091   0.676394 0.326219  
1 1 1 44 39 27 o 0.936834 0.364823  1.58745      0.984159 1.57824      1.38607  1.59681      1.39762  0.883444 0.391977  0.885246 0.393087  
1 1 1 44 40 0  o 0.533391 0.341954  0.141592     0.795947 0.141592     0.795947 0.141592     0.795947 0.463574 0.292564  ?        ?         
1 1 1 44 40 1  o 2.34211  0.123144  5.54734      0.576832 5.36924      0.825463 5.71731      0.806399 2.28979  0.180249  2.36579  0.170429  
1 1 1 44 40 2  o 1.1659   0.271479  1.48621      0.621797 1.96284      0.950571 1.12974      0.822067 1.31741  0.353386  1.03067  0.341818  
1 1 1 44 40 3  o 3.07963  0.132372  9.60827      0.815316 9.90284      1.285    9.40978      1.05483  3.09764  0.207417  3.03358  0.173859  
1 1 1 44 40 4  o 1.44096  0.318244  2.3089       0.892617 3.68487      1.50722  1.56559      1.10778  1.76993  0.429528  1.19125  0.396797  
1 1 1 44 40 5  o 1.88497  0.221403  3.68442      0.834673 3.34251      1.28363  3.9349       1.09865  1.7072   0.385098  1.92545  0.285297  
1 1 1 44 40 6  o 2.43348  0.179866  6.06722      0.875401 6.9473       1.40335  5.50663      1.12003  2.56382  0.273683  2.29528  0.243985  
1 1 1 44 40 7  o 3.04573  0.144836  9.42529      0.882263 9.0596       1.30216  9.73562      1.19956  2.9555   0.220295  3.07573  0.195004  
1 1 1 44 40 8  o 1.18907  0.337243  1.5857       0.83905  1.96687      1.20462  1.22651      1.16936  1.30813  0.412684  1.10332  0.404675  
1 1 1 44 40 9  o 3.98609  0.125248  16.0951      0.998498 14.9096      1.36053  17.4789      1.47     3.81151  0.178476  4.12709  0.178091  
1 1 1 44 40 10 o 2.02518  0.210739  4.26077      0.853566 4.78026      1.21182  3.74925      1.20249  2.11181  0.286914  1.82321  0.342382  
1 1 1 44 40 11 o 1.9731   0.218573  4.05746      0.862532 2.29515      1.17432  6.12193      1.27102  1.39487  0.400055  2.40085  0.264701  
1 1 1 44 40 12 o 1.62161  0.260027  2.80107      0.843324 2.88345      1.19712  2.71991      1.18821  1.56232  0.385084  1.51425  0.390045  
1 1 1 44 40 13 o 2.31257  0.188428  5.55015      0.871507 5.91916      1.19033  5.12379      1.27949  2.35429  0.2528    2.16536  0.295446  
1 1 1 44 40 14 o 2.30438  0.187254  5.52582      0.863011 5.41126      1.19314  5.65152      1.2498   2.23572  0.266835  2.28004  0.274074  
1 1 1 44 40 15 o 0.810394 0.324338  0.504559     0.795833 1.185        1.10223  -0.236494    1.15027  1.0467   0.391328  0.772894 0.349273  
1 1 1 44 40 16 o 1.35282  0.320047  2.13993      0.853473 2.62659      1.20584  1.6514       1.20815  1.44692  0.402341  1.16832  0.413006  
1 1 1 44 40 17 o 1.50122  0.292639  2.5864       0.847282 3.48973      1.1705   1.59209      1.22804  1.70069  0.355649  1.14232  0.415121  
1 1 1 44 40 18 f 0.898413 0.341823  0.841379     0.850985 1.36782      1.19299  0.296013     1.21424  1.06955  0.40537   0.854868 0.373992  
1 1 1 44 40 19 o 0.88226  0.334595  0.842671     0.813199 0.56955      1.17338  1.09509      1.12803  0.880207 0.376005  0.98257  0.388476  
1 1 1 44 40 20 o 1.21685  0.328162  1.85018      0.816997 0.129923     1.14295  3.64753      1.16828  0.792858 0.353584  1.69882  0.355351  
1 1 1 44 40 21 f 0.611023 0.282271  -0.319506    0.811179 -0.144802    1.16375  -0.4846      1.1313   0.743621 0.341344  0.69074  0.323841  
1 1 1 44 40 22 o 0.627166 0.288289  -0.203521    0.833303 0.587959     1.15754  -1.05495     1.20058  0.836168 0.365489  0.636995 0.308049  
1 1 1 44 40 23 f 0.762181 0.321137  0.532554     0.836159 0.598098     1.14967  0.458945     1.21833  0.825099 0.362417  0.812157 0.363545  
1 1 1 44 40 24 o 0.816274 0.337808  0.848304     0.899203 1.04053      1.25365  0.644617     1.29048  0.872888 0.380959  0.814697 0.368961  
1 1 1 44 40 25 o 0.579496 0.277398  -0.457226    0.90955  -0.0304601   1.35301  -0.809098    1.22857  0.71257  0.340434  0.620554 0.302755  
1 1 1 44 40 26 o 0.543054 0.264954  -0.852218    0.941232 -0.619969    1.28699  -1.11928     1.38009  0.642828 0.312946  0.622298 0.306785  
1 1 1 44 41 0  o 3.12502  0.147495  9.91076      0.917166 9.91076      0.917166 9.91076      0.917166 3.13665  0.103637  ?        ?         
1 1 1 44 41 1  o 4.10619  0.0866987 16.9572      0.712002 17.8391      1.0312   16.1537      0.98428  4.1996   0.122774  3.99615  0.123153  
1 1 1 44 41 2  o 0.898306 0.299355  0.834979     0.630506 0.869625     0.969668 0.809601     0.829898 0.975079 0.366549  0.928146 0.340867  
1 1 1 44 41 3  o 0.904851 0.332887  0.761354     0.791795 0.580506     1.13485  0.932899     1.10527  0.943613 0.383327  1.01853  0.388966  
1 1 1 44 41 4  o 2.55869  0.184381  6.71769      0.943548 6.79001      1.44254  6.66361      1.24739  2.5279   0.285322  2.52284  0.247219  
1 1 1 44 41 5  o 3.14957  0.144499  10.0797      0.910219 10.6997      1.37625  9.59762      1.21354  3.2146   0.214062  3.05173  0.198828  
1 1 1 44 41 6  o 1.30957  0.330219  1.93336      0.865281 0.854315     1.25723  2.9045       1.19271  1.02858  0.409028  1.58616  0.380322  
1 1 1 44 41 7  o 3.06836  0.151312  9.59789      0.928562 9.42342      1.30314  9.77783      1.32347  3.01064  0.216422  3.06709  0.215752  
1 1 1 44 41 8  o 1.03084  0.345703  1.14758      0.840861 1.11236      1.2004   1.18151      1.17822  1.0708   0.406397  1.08459  0.404772  
1 1 1 44 41 9  o 1.27743  0.328887  1.85191      0.845099 2.26151      1.24154  1.49828      1.1536   1.38105  0.415685  1.16327  0.404313  
1 1 1 44 41 10 o 1.02183  0.34321   1.13512      0.828775 1.49619      1.16899  0.770225     1.17517  1.15861  0.406588  0.982211 0.393701  
1 1 1 44 41 11 o 1.86412  0.237123  3.6763       0.884052 4.8281       1.23192  2.45337      1.26939  2.10696  0.292347  1.41893  0.41887   
1 1 1 44 41 12 o 2.78084  0.158936  7.95118      0.883954 7.67336      1.20822  8.27116      1.29666  2.6952   0.224143  2.79281  0.232143  
1 1 1 44 41 13 f 1.2314   0.336734  1.78155      0.852889 2.8778       1.15769  0.480307     1.26129  1.54368  0.37758   0.92451  0.392208  
1 1 1 44 41 14 o 0.82822  0.334335  0.513813     0.856013 -1.17159     1.18505  2.35274      1.23785  0.666984 0.318643  1.36754  0.41576   
1 1 1 44 41 15 o 0.774533 0.323547  0.328012     0.836976 0.453099     1.16171  0.193004     1.20691  0.887342 0.376422  0.852485 0.372906  
1 1 1 44 41 16 o 0.761755 0.322502  0.279102     0.849956 0.145895     1.19359  0.41614      1.21063  0.833945 0.36767   0.88376  0.379865  
1 1 1 44 41 17 o 2.02632  0.207893  4.39009      0.842515 5.11381      1.2093   3.70747      1.17446  2.12699  0.284274  1.74437  0.34897   
1 1 1 44 41 18 o 3.14293  0.148059  10.2711      0.930675 10.3938      1.32607  10.1519      1.30649  3.0975   0.214056  3.06203  0.213337  
1 1 1 44 41 19 o 1.52173  0.286343  2.72925      0.839479 2.7742       1.20783  2.68725      1.16759  1.42427  0.404841  1.40886  0.397267  
1 1 1 44 41 20 o 1.47506  0.304691  2.66676      0.868238 1.22165      1.17597  4.39849      1.28732  0.987886 0.394726  1.83849  0.363024  
1 1 1 44 41 21 o 0.664632 0.29794   0.0339496    0.820912 1.66665      1.17419  -1.52709     1.14814  1.06313  0.40239   0.58297  0.286473  
1 1 1 44 41 22 o 0.871479 0.335808  0.962659     0.82927  0.360449     1.12006  1.69325      1.23369  0.782155 0.349385  1.04572  0.408209  
1 1 1 44 41 23 o 0.678822 0.306139  0.14284      0.879252 0.859504     1.2209   -0.629326    1.2673   0.853431 0.374177  0.672538 0.323259  
1 1 1 44 41 24 o 0.76624  0.32557   0.726251     0.871399 0.48951      1.22741  0.966839     1.23734  0.761374 0.349939  0.829909 0.369062  
1 1 1 44 41 25 o 0.762107 0.332781  0.687774     0.957634 1.63647      1.36105  -0.242315    1.34764  0.928484 0.400983  0.692876 0.333111  
1 1 1 44 41 26 o 0.803781 0.343263  1.20596      0.977454 2.07975      1.38711  0.344121     1.3776   0.891709 0.394328  0.690293 0.333069  
1 1 1 44 42 0  o 2.08055  0.205762  4.52581      0.836979 4.52581      0.836979 4.52581      0.836979 2.10472  0.142083  ?        ?         
1 1 1 44 42 1  o 1.95484  0.149396  3.89123      0.584089 4.03519      0.800546 3.72736      0.854107 1.97589  0.202579  1.89161  0.225762  
1 1 1 44 42 2  o 1.48203  0.21832   2.28318      0.647112 0.696441     0.988804 3.47188      0.855839 0.929699 0.364933  1.82219  0.234839  
1 1 1 44 42 3  o 2.52259  0.169943  6.51893      0.857395 5.54032      1.1636   7.68144      1.26822  2.29232  0.253804  2.70965  0.23402   
1 1 1 44 42 4  o 0.837654 0.345924  0.376261     0.93981  0.979077     1.34929  -0.191767    1.30978  1.06741  0.423968  0.848981 0.378565  
1 1 1 44 42 5  o 1.27208  0.336036  1.84153      0.867808 2.52588      1.20821  1.11222      1.24726  1.46271  0.401139  1.07787  0.412739  
1 1 1 44 42 6  o 1.44233  0.315926  2.33625      0.886375 3.11606      1.21182  1.43905      1.29985  1.63847  0.377345  1.16267  0.426636  
1 1 1 44 42 7  o 1.38656  0.320765  2.16981      0.872537 2.21411      1.20272  2.1206       1.26775  1.3683   0.408587  1.33828  0.42348   
1 1 1 44 42 8  o 2.09438  0.219482  4.58798      0.91936  4.07404      1.30046  5.10147      1.29989  1.88506  0.357885  2.16783  0.299813  
1 1 1 44 42 9  f 1.65103  0.265602  2.92347      0.877033 1.62703      1.20152  4.40199      1.28312  1.18844  0.412667  1.9954   0.321521  
1 1 1 44 42 10 o 1.1876   0.341778  1.64171      0.855664 2.13759      1.13568  0.990587     1.30136  1.32903  0.397072  1.0402   0.41536   
1 1 1 44 42 11 o 0.923071 0.350692  0.822786     0.894638 1.67098      1.19737  -0.249161    1.34606  1.18606  0.411943  0.832532 0.376942  
1 1 1 44 42 12 o 2.867    0.165345  8.49505      0.948089 8.50114      1.28449  8.48777      1.40523  2.82799  0.227103  2.80802  0.250217  
1 1 1 44 42 13 o 0.580459 0.275302  -0.839903    0.86165  -1.21463     1.2067   -0.450076    1.23077  0.669152 0.320123  0.766105 0.351401  
1 1 1 44 42 14 o 1.2437   0.339601  1.85061      0.868249 2.63373      1.2446   1.10817      1.21184  1.43602  0.411851  1.03033  0.40409   
1 1 1 44 42 15 o 0.687975 0.303418  -0.00778103  0.813817 -1.04452     1.12642  1.1243       1.17707  0.651679 0.311171  1.0194   0.398569  
1 1 1 44 42 16 o 2.45516  0.17742   6.33759      0.87119  6.20026      1.25694  6.46455      1.20858  2.35575  0.266781  2.42135  0.249568  
1 1 1 44 42 17 o 1.76248  0.232389  3.41267      0.819161 3.57392      1.15625  3.25018      1.1607   1.68945  0.35361   1.59143  0.371141  
1 1 1 44 42 18 o 2.92209  0.159272  8.95424      0.930812 8.95081      1.34605  8.95738      1.28857  2.84324  0.23671   2.8571   0.225503  
1 1 1 44 42 19 o 1.01844  0.349421  1.34246      0.859242 0.654795     1.19839  2.06998      1.23264  0.876912 0.377455  1.19105  0.417554  
1 1 1 44 42 20 o 1.91034  0.222168  4.10362      0.848835 3.07647      1.18083  5.20194      1.22105  1.45949  0.394938  2.06538  0.295599  
1 1 1 44 42 21 o 0.862213 0.331806  0.931236     0.809069 0.788545     1.11752  1.08841      1.17288  0.856667 0.366479  0.919252 0.38344   
1 1 1 44 42 22 o 0.554952 0.266505  -0.703918    0.856647 0.530295     1.2367   -1.84234     1.18774  0.81016  0.364346  0.558383 0.277295  
1 1 1 44 42 23 o 0.58106  0.277151  -0.428014    0.887423 -0.900323    1.24191  0.0647617    1.26853  0.621809 0.303553  0.718899 0.338371  
1 1 1 44 42 24 o 0.846052 0.33918   1.08649      0.872426 0.437665     1.24902  1.7046       1.21911  0.750716 0.348123  0.952595 0.393725  
1 1 1 44 42 25 f 0.698585 0.317241  0.51173      0.962653 -0.2867      1.30791  1.45559      1.42204  0.649648 0.316046  0.836698 0.381454  
1 1 1 44 43 0  f 1.81997  0.225379  3.53138      0.791998 3.53138      0.791998 3.53138      0.791998 1.85104  0.153712  ?        ?         
1 1 1 44 43 1  o 0.707934 0.270865  0.398055     0.536817 0.337535     0.767054 0.45615      0.751532 0.771157 0.314518  0.798245 0.316616  
1 1 1 44 43 2  o 0.67653  0.278518  0.211809     0.607151 0.626739     0.963958 -0.0610441   0.78169  0.903059 0.358458  0.684116 0.299676  
1 1 1 44 43 3  o 2.04635  0.215177  4.36042      0.880657 5.01161      1.2134   3.63562      1.28015  2.1639   0.280374  1.77434  0.372594  
1 1 1 44 43 4  o 0.663339 0.306769  -0.608223    0.961449 0.684798     1.27332  -2.32316     1.46642  0.987256 0.404368  0.672429 0.328603  
1 1 1 44 43 5  o 1.54624  0.295811  2.65702      0.882148 1.29521      1.22498  4.12401      1.2714   1.11183  0.413165  1.90342  0.346821  
1 1 1 44 43 6  o 0.563088 0.268961  -0.962209    0.843383 -0.722395    1.1788   -1.21369     1.20715  0.72628  0.337331  0.679216 0.323797  
1 1 1 44 43 7  o 1.21483  0.340735  1.71199      0.861176 1.62201      1.19197  1.81025      1.24558  1.1837   0.411023  1.2363   0.420752  
1 1 1 44 43 8  o 1.02992  0.347549  1.1843       0.849865 0.48971      1.1601   1.98885      1.24855  0.907628 0.380142  1.27809  0.421254  
1 1 1 44 43 9  o 0.819151 0.330653  0.484117     0.837189 -0.0141288   1.15185  1.04208      1.21892  0.811765 0.359109  1.0322   0.405175  
1 1 1 44 43 10 o 1.46287  0.315437  2.46949      0.896572 1.69769      1.26512  3.24821      1.27078  1.19033  0.422445  1.62813  0.393956  
1 1 1 44 43 11 o 3.21823  0.147755  10.6395      0.95102  14.389       1.49016  8.06286      1.2353   3.70059  0.201341  2.75418  0.224259  
1 1 1 44 43 12 o 1.40876  0.310871  2.30195      0.852396 2.43987      1.20179  2.16232      1.20918  1.39031  0.406657  1.30759  0.413562  
1 1 1 44 43 13 o 0.494819 0.241894  -1.3153      0.796481 -1.82316     1.12925  -0.812553    1.12356  0.582217 0.285461  0.67914  0.319305  
1 1 1 44 43 14 o 1.76119  0.243242  3.38396      0.856789 3.73402      1.20961  3.03149      1.21377  1.74879  0.358184  1.54049  0.392699  
1 1 1 44 43 15 f 0.64174  0.290733  -0.196818    0.801954 -1.75127     1.11914  1.44385      1.14975  0.576955 0.283297  1.07784  0.400329  
1 1 1 44 43 16 o 0.828649 0.331     0.647074     0.826685 1.19032      1.20174  0.159078     1.139    1.00858  0.400269  0.800238 0.355159  
1 1 1 44 43 17 o 1.12763  0.335458  1.60353      0.811752 2.83825      1.1397   0.332215     1.15646  1.46089  0.384721  0.828391 0.363677  
1 1 1 44 43 18 o 1.03512  0.343379  1.39176      0.829592 1.06261      1.178    1.71562      1.1685   0.95153  0.389204  1.10354  0.404549  
1 1 1 44 43 19 o 0.472181 0.233155  -1.42064     0.805306 -3.23759     1.11782  0.53995      1.16117  0.467333 0.236837  0.831029 0.364628  
1 1 1 44 43 20 o 0.595202 0.275416  -0.254024    0.776395 -0.439965    1.07571  -0.0518376   1.12171  0.661518 0.311431  0.722678 0.333119  
1 1 1 44 43 21 o 0.969648 0.342321  1.328        0.829746 1.41898      1.1554   1.2311       1.19235  0.971514 0.389976  0.931806 0.387511  
1 1 1 44 43 22 o 1.28126  0.342003  2.44198      0.893057 1.93554      1.28343  2.91737      1.24347  1.01091  0.408845  1.25913  0.420396  
1 1 1 44 43 23 o 0.650916 0.298549  0.121392     0.888242 -0.985243    1.25532  1.23102      1.25701  0.61077  0.299945  0.861626 0.378707  
1 1 1 44 43 24 o 0.751424 0.327684  0.755632     0.925986 0.819762     1.29748  0.689061     1.32195  0.776821 0.358149  0.761925 0.355171  
1 1 1 44 44 0  o 0.820724 0.457521  1.0827       1.10148  1.0827       1.10148  1.0827       1.10148  0.824884 0.40308   ?        ?         
1 1 1 44 44 1  o 1.10614  0.405759  1.72124      0.826278 1.72124      0.826278 1.72124      0.826278 1.21108  0.277363  ?        ?         
1 1 1 44 44 2  o 0.608444 0.386979  0.282396     1.00179  0.282396     1.00179  0.282396     1.00179  0.539201 0.335399  ?        ?         
1 1 1 44 44 3  o 3.57392  0.172476  13.0604      1.22629  13.0604      1.22629  13.0604      1.22629  3.59411  0.120941  ?        ?         
1 1 1 44 44 4  o 1.37594  0.491004  2.70343      1.22979  2.70343      1.22979  2.70343      1.22979  1.51883  0.326352  ?        ?         
1 1 1 44 44 5  o 3.15677  0.200483  10.3048      1.25405  10.3048      1.25405  10.3048      1.25405  3.1837   0.139878  ?        ?         
1 1 1 44 44 6  o 0.504411 0.350409  -0.655865    1.16372  -0.655865    1.16372  -0.655865    1.16372  0.404964 0.284123  ?        ?         
1 1 1 44 44 7  o 0.947173 0.479434  1.51097      1.11814  1.51097      1.11814  1.51097      1.11814  1.01132  0.404746  ?        ?         
1 1 1 44 44 8  o 0.779255 0.451469  0.959149     1.12525  0.959149     1.12525  0.959149     1.12525  0.767627 0.400688  ?        ?         
1 1 1 44 44 9  o 0.606403 0.393527  0.18754      1.10208  0.18754      1.10208  0.18754      1.10208  0.530484 0.339258  ?        ?         
1 1 1 44 44 10 o 1.09453  0.494415  1.95603      1.15523  1.95603      1.15523  1.95603      1.15523  1.21058  0.384543  ?        ?         
1 1 1 44 44 11 o 0.484967 0.337458  -0.682196    1.11361  -0.682196    1.11361  -0.682196    1.11361  0.388493 0.274102  ?        ?         
1 1 1 44 44 12 o 0.808425 0.47265   1.08681      1.25147  1.08681      1.25147  1.08681      1.25147  0.803288 0.421646  ?        ?         
1 1 1 44 44 13 o 2.28968  0.301876  5.86346      1.32873  5.86346      1.32873  5.86346      1.32873  2.35877  0.2026    ?        ?         
1 1 1 44 44 14 o 0.500245 0.348175  -0.647334    1.18694  -0.647334    1.18694  -0.647334    1.18694  0.405201 0.285052  ?        ?         
1 1 1 44 44 15 o 0.950565 0.488482  1.65011      1.17093  1.65011      1.17093  1.65011      1.17093  1.03752  0.413999  ?        ?         
1 1 1 44 44 16 o 0.888345 0.480231  1.46564      1.17483  1.46564      1.17483  1.46564      1.17483  0.948979 0.419264  ?        ?         
1 1 1 44 44 17 o 0.503546 0.348471  -0.390933    1.12114  -0.390933    1.12114  -0.390933    1.12114  0.417735 0.290114  ?        ?         
1 1 1 44 44 18 o 0.528769 0.362469  -0.211879    1.16176  -0.211879    1.16176  -0.211879    1.16176  0.448981 0.306969  ?        ?         
1 1 1 44 44 19 o 0.54386  0.366553  0.012394     1.10901  0.012394     1.10901  0.012394     1.10901  0.473457 0.315985  ?        ?         
1 1 1 44 44 20 o 0.489107 0.340268  -0.42984     1.13104  -0.42984     1.13104  -0.42984     1.13104  0.407817 0.284395  ?        ?         
1 1 1 44 44 21 o 0.480658 0.339324  -0.546666    1.21147  -0.546666    1.21147  -0.546666    1.21147  0.402246 0.284279  ?        ?         
1 1 1 44 44 22 o 0.756147 0.456088  1.35423      1.22881  1.35423      1.22881  1.35423      1.22881  0.813766 0.420212  ?        ?         
1 1 1 44 44 23 o 0.504721 0.355475  -0.359484    1.31267  -0.359484    1.31267  -0.359484    1.31267  0.43349  0.303454  ?        ?         
1 1 1 45 0  0  o 2.17435  0.311203  5.01694      1.27299  5.01694      1.27299  5.01694      1.27299  2.21031  0.207846  ?        ?         
1 1 1 45 0  1  o 13.4309  0.15971   180.535      4.28873  180.535      4.28873  180.535      4.28873  13.4336  0.112891  ?        ?         
1 1 1 45 0  2  o 18.8178  0.214611  354.496      8.07463  354.496      8.07463  354.496      8.07463  18.8229  0.151689  ?        ?         
1 1 1 45 0  3  o 10.602   0.128979  112.481      2.73395  112.481      2.73395  112.481      2.73395  10.6038  0.0911707 ?        ?         
1 1 1 45 0  4  o 15.1211  0.171701  228.844      5.19111  228.844      5.19111  228.844      5.19111  15.1244  0.121367  ?        ?         
1 1 1 45 0  5  o 29.7913  0.307673  889.22       18.3275  889.22       18.3275  889.22       18.3275  29.8055  0.217427  ?        ?         
1 1 1 45 0  6  o 14.4365  0.15716   208.579      4.53647  208.579      4.53647  208.579      4.53647  14.4394  0.111092  ?        ?         
1 1 1 45 0  7  o 19.402   0.200364  376.85       7.77303  376.85       7.77303  376.85       7.77303  19.4073  0.141623  ?        ?         
1 1 1 45 0  8  o 3.82589  0.123226  14.6877      0.940683 14.6877      0.940683 14.6877      0.940683 3.82918  0.0869557 ?        ?         
1 1 1 45 0  9  o 1.06638  0.383755  1.50925      0.74728  1.50925      0.74728  1.50925      0.74728  1.14682  0.265097  ?        ?         
1 1 1 45 0  10 o 1.61872  0.250362  2.80548      0.752541 2.80548      0.752541 2.80548      0.752541 1.65011  0.165026  ?        ?         
1 1 1 45 0  11 o 3.08186  0.152402  9.5734       0.934125 9.5734       0.934125 9.5734       0.934125 3.08803  0.107243  ?        ?         
1 1 1 45 0  12 o 10.9066  0.133259  119.071      2.90583  119.071      2.90583  119.071      2.90583  10.9093  0.0941894 ?        ?         
1 1 1 45 0  13 o 4.41746  0.117621  19.5644      1.03751  19.5644      1.03751  19.5644      1.03751  4.42032  0.0830501 ?        ?         
1 1 1 45 0  14 o 3.48852  0.148943  12.2463      1.03487  12.2463      1.03487  12.2463      1.03487  3.49402  0.104931  ?        ?         
1 1 1 45 0  15 f 9.20242  0.122829  84.786       2.25974  84.786       2.25974  84.786       2.25974  9.20517  0.0868099 ?        ?         
1 1 1 45 0  16 o 7.17524  0.110582  51.5535      1.58605  51.5535      1.58605  51.5535      1.58605  7.17767  0.0781457 ?        ?         
1 1 1 45 0  17 o 0.700381 0.393335  0.676361     0.822297 0.676361     0.822297 0.676361     0.822297 0.675011 0.344814  ?        ?         
1 1 1 45 0  18 o 5.41048  0.130463  29.3568      1.40988  29.3568      1.40988  29.3568      1.40988  5.41434  0.0921245 ?        ?         
1 1 1 45 0  19 o 1.25183  0.383495  1.96259      0.83724  1.96259      0.83724  1.96259      0.83724  1.33599  0.246696  ?        ?         
1 1 1 45 0  20 o 1.35797  0.364735  2.2138       0.854259 2.2138       0.854259 2.2138       0.854259 1.4337   0.227987  ?        ?         
1 1 1 45 0  21 o 4.23143  0.12785   17.9816      1.07974  17.9816      1.07974  17.9816      1.07974  4.23597  0.0902126 ?        ?         
1 1 1 45 0  22 o 0.372548 0.267827  -1.15373     0.855956 -1.15373     0.855956 -1.15373     0.855956 0.281214 0.205483  ?        ?         
1 1 1 45 0  23 o 0.485196 0.327877  -0.334829    0.897877 -0.334829    0.897877 -0.334829    0.897877 0.391641 0.26833   ?        ?         
1 1 1 45 0  24 o 3.06184  0.182386  9.51723      1.1078   9.51723      1.1078   9.51723      1.1078   3.07358  0.127934  ?        ?         
1 1 1 45 0  25 f 2.70218  0.208807  7.48013      1.11297  7.48013      1.11297  7.48013      1.11297  2.71888  0.145682  ?        ?         
1 1 1 45 0  26 o 4.55458  0.152997  20.9017      1.39011  20.9017      1.39011  20.9017      1.39011  4.56322  0.107841  ?        ?         
1 1 1 45 0  27 o 2.69906  0.262506  7.58009      1.38626  7.58009      1.38626  7.58009      1.38626  2.72693  0.18158   ?        ?         
1 1 1 45 0  28 o 1.34605  0.488817  2.48382      1.20576  2.48382      1.20576  2.48382      1.20576  1.46201  0.335319  ?        ?         
1 1 1 45 0  29 o 0.753661 0.441817  0.760565     1.0982   0.760565     1.0982   0.760565     1.0982   0.713473 0.389064  ?        ?         
1 1 1 45 0  30 o 1.17459  0.492942  2.04731      1.15693  2.04731      1.15693  2.04731      1.15693  1.28038  0.368759  ?        ?         
1 1 1 45 0  31 o 3.31908  0.192485  11.2573      1.26791  11.2573      1.26791  11.2573      1.26791  3.33726  0.134824  ?        ?         
1 1 1 45 0  32 o 6.36221  0.153793  40.9069      1.95435  40.9069      1.95435  40.9069      1.95435  6.37909  0.108388  ?        ?         
1 1 1 45 0  33 o 0.761816 0.455738  0.78394      1.20799  0.78394      1.20799  0.78394      1.20799  0.719114 0.402081  ?        ?         
1 1 1 45 0  34 o 2.67984  0.249418  7.5782       1.31018  7.5782       1.31018  7.5782       1.31018  2.71743  0.172043  ?        ?         
1 1 1 45 0  35 o 0.697293 0.436717  0.543913     1.22504  0.543913     1.22504  0.543913     1.22504  0.638562 0.384117  ?        ?         
1 1 1 45 0  36 o 1.33622  0.504927  2.69671      1.25931  2.69671      1.25931  2.69671      1.25931  1.49472  0.342524  ?        ?         
1 1 1 45 0  37 o 1.0421   0.51674   1.98141      1.28746  1.98141      1.28746  1.98141      1.28746  1.158    0.426326  ?        ?         
1 1 1 45 0  38 o 0.637709 0.423441  0.246158     1.37031  0.246158     1.37031  0.246158     1.37031  0.567667 0.368631  ?        ?         
1 1 1 45 0  39 o 0.567598 0.398348  -0.592365    1.61995  -0.592365    1.61995  -0.592365    1.61995  0.478762 0.335705  ?        ?         
1 1 1 45 0  40 o 0.51839  0.377212  -1.81694     1.97896  -1.81694     1.97896  -1.81694     1.97896  0.426946 0.312073  ?        ?         
1 1 1 45 0  41 o 0.637611 0.442463  0.433475     1.82745  0.433475     1.82745  0.433475     1.82745  0.59512  0.399431  ?        ?         
1 1 1 45 1  0  o 3.70009  0.131209  13.7459      0.968202 13.7459      0.968202 13.7459      0.968202 3.70384  0.0925513 ?        ?         
1 1 1 45 1  1  o 9.86368  0.0889598 97.3167      1.75494  97.2794      2.45032  97.3559      2.51465  9.8606   0.124248  9.86435  0.127462  
1 1 1 45 1  2  o 13.5599  0.113786  183.949      3.08585  188.8        4.75774  180.427      4.05429  13.7338  0.173213  13.4274  0.150971  
1 1 1 45 1  3  o 3.08728  0.104915  9.53476      0.647806 11.1133      0.960224 8.21615      0.877612 3.33251  0.144069  2.86526  0.153147  
1 1 1 45 1  4  o 30.7582  0.227264  947.764      13.9805  943.718      19.4426  952.095      20.1174  30.6664  0.317003  30.7989  0.326593  
1 1 1 45 1  5  o 13.2957  0.101617  176.842      2.70214  175.37       3.9028   178.196      3.7449   13.2374  0.147415  13.3442  0.14032   
1 1 1 45 1  6  o 4.9595   0.078898  24.6026      0.782589 24.589       1.08972  24.6172      1.1246   4.95755  0.109905  4.96031  0.11336   
1 1 1 45 1  7  o 9.11213  0.077504  83.0522      1.41245  83.0825      2.00296  83.0221      1.9921   9.11258  0.109901  9.10929  0.109345  
1 1 1 45 1  8  o 3.88827  0.0792393 15.123       0.616208 14.9193      0.845051 15.3544      0.900489 3.86148  0.109421  3.91727  0.114938  
1 1 1 45 1  9  o 12.4363  0.094644  154.731      2.35405  154.335      3.28859  155.147      3.3712   12.4178  0.132415  12.4502  0.135388  
1 1 1 45 1  10 o 13.7851  0.105021  190.143      2.89546  188.733      4.04105  191.63       4.15075  13.7301  0.14716   13.8347  0.150012  
1 1 1 45 1  11 o 4.2854   0.0851315 18.3724      0.729645 18.9484      1.02794  17.7875      1.03585  4.35121  0.118121  4.21567  0.122857  
1 1 1 45 1  12 f 17.1861  0.125343  295.658      4.30832  298.875      6.15761  292.574      6.03017  17.2703  0.178271  17.0876  0.176448  
1 1 1 45 1  13 o 7.0397   0.077729  49.5787      1.09438  50.4385      1.57445  48.7749      1.52224  7.09887  0.110894  6.98092  0.109029  
1 1 1 45 1  14 o 4.72023  0.0793567 22.2919      0.749164 22.9713      1.10192  21.708       1.02159  4.79026  0.115017  4.6569   0.109686  
1 1 1 45 1  15 o 2.80052  0.117245  7.85326      0.656694 8.37399      0.944288 7.36554      0.913871 2.89009  0.163366  2.71027  0.168594  
1 1 1 45 1  16 o 1.96311  0.148802  3.86305      0.584231 3.86247      0.834183 3.86361      0.818494 1.96053  0.212744  1.961    0.208693  
1 1 1 45 1  17 o 2.40947  0.128802  5.81707      0.620686 5.37085      0.887095 6.24503      0.868758 2.3124   0.191813  2.49446  0.174138  
1 1 1 45 1  18 o 7.04701  0.0755082 49.6993      1.06421  49.3626      1.48759  50.0522      1.52309  7.02043  0.105947  7.06911  0.107728  
1 1 1 45 1  19 o 6.87353  0.0783234 47.2894      1.07672  48.0436      1.49668  46.4803      1.55014  6.92514  0.108061  6.81087  0.113799  
1 1 1 45 1  20 o 1.85354  0.164919  3.45196      0.611368 3.97881      0.866336 2.92929      0.862885 1.9864   0.218066  1.70192  0.253503  
1 1 1 45 1  21 o 4.78547  0.0838526 22.9326      0.802547 23.8         1.14176  22.0854      1.12831  4.87193  0.117177  4.69282  0.120216  
1 1 1 45 1  22 f 1.67538  0.188117  2.82842      0.630336 3.49047      0.890869 2.1647       0.891992 1.85683  0.23989   1.42824  0.320224  
1 1 1 45 1  23 o 4.41549  0.0921786 19.5382      0.814028 19.211       1.1321   19.8884      1.17132  4.37388  0.129416  4.45     0.131609  
1 1 1 45 1  24 o 5.40636  0.0916881 29.2997      0.991398 30.0226      1.3815   28.5321      1.42354  5.46679  0.126354  5.32793  0.133592  
1 1 1 45 1  25 o 3.75024  0.109597  14.1188      0.822031 13.2357      1.17182  14.9744      1.15346  3.62261  0.161736  3.85559  0.149582  
1 1 1 45 1  26 o 1.86208  0.209222  3.5219       0.779175 2.52478      1.06744  4.65916      1.13998  1.52562  0.355999  2.13107  0.267465  
1 1 1 45 1  27 o 3.23043  0.138262  10.514       0.893292 11.1445      1.28833  9.93028      1.23969  3.31383  0.194386  3.1272   0.198211  
1 1 1 45 1  28 o 2.11444  0.199513  4.55127      0.843717 4.49798      1.17735  4.60753      1.2097   2.08354  0.282537  2.10759  0.286985  
1 1 1 45 1  29 o 3.9095   0.119299  15.3983      0.932803 16.5023      1.33103  14.3328      1.30765  4.03353  0.164995  3.75606  0.174072  
1 1 1 45 1  30 o 2.43507  0.171202  6.03264      0.833778 6.47564      1.1553   5.55107      1.20452  2.5055   0.230552  2.30991  0.26073   
1 1 1 45 1  31 o 1.32687  0.313479  1.94452      0.819679 2.23857      1.16067  1.65196      1.15774  1.4008   0.396439  1.22678  0.405646  
1 1 1 45 1  32 o 3.51629  0.136187  12.5378      0.957745 12.2514      1.34157  12.8356      1.36772  3.45116  0.194365  3.53288  0.193569  
1 1 1 45 1  33 o 1.19096  0.338656  1.60938      0.845033 1.36728      1.19294  1.8532       1.19719  1.13396  0.409433  1.26604  0.412499  
1 1 1 45 1  34 o 1.58023  0.290204  2.78071      0.882905 2.90274      1.24859  2.65867      1.24864  1.55112  0.400007  1.47903  0.40876   
1 1 1 45 1  35 o 0.817331 0.334326  0.454198     0.869258 0.256081     1.25446  0.637192     1.20563  0.880225 0.382612  0.938852 0.390003  
1 1 1 45 1  36 o 1.78549  0.245026  3.47409      0.874985 3.81144      1.23633  3.13556      1.2385   1.76843  0.36204   1.57088  0.394441  
1 1 1 45 1  37 o 0.60553  0.28631   -0.726274    0.925544 0.0749508    1.30191  -1.54498     1.31604  0.82504  0.372277  0.652384 0.317266  
1 1 1 45 1  38 o 0.898748 0.357032  0.93865      0.956999 2.52356      1.36183  -0.607629    1.34513  1.27417  0.439633  0.72872  0.344841  
1 1 1 45 1  39 o 1.03436  0.406393  1.65373      1.22731  -0.622076    1.71701  4.03126      1.75496  0.775378 0.373561  1.45138  0.499235  
1 1 1 45 1  40 o 0.687258 0.332824  -0.498546    1.42037  -0.954073    1.9006   0.0776972    2.13764  0.723684 0.357545  0.805857 0.394489  
1 1 1 45 1  41 o 0.876488 0.383589  1.44393      1.27831  0.794151     1.8331   2.05903      1.78352  0.802393 0.38643   0.920484 0.422548  
1 1 1 45 2  0  o 6.55122  0.11917   42.9716      1.56026  42.9716      1.56026  42.9716      1.56026  6.55325  0.0842085 ?        ?         
1 1 1 45 2  1  o 13.4884  0.113357  182.019      3.05802  182.84       4.47643  181.301      4.18741  13.5154  0.165605  13.4591  0.15556   
1 1 1 45 2  2  o 8.91556  0.0835808 79.5068      1.49034  76.2897      2.14395  82.515       2.07315  8.73207  0.122763  9.08168  0.114139  
1 1 1 45 2  3  o 16.4509  0.127363  270.791      4.19045  274.347      6.34952  268.047      5.57761  16.5523  0.191802  16.3635  0.170429  
1 1 1 45 2  4  o 20.4942  0.153905  420.388      6.30829  415.849      9.45955  424.024      8.46553  20.3714  0.232178  20.5752  0.205722  
1 1 1 45 2  5  o 3.15454  0.0967895 9.9549       0.610654 9.13083      0.857284 10.8037      0.870046 3.02049  0.141911  3.28573  0.132398  
1 1 1 45 2  6  o 13.9078  0.103504  193.515      2.87902  192.849      3.96851  194.256      4.18304  13.8808  0.14295   13.9307  0.150138  
1 1 1 45 2  7  o 9.49402  0.0811603 90.1637      1.54108  92.1817      2.17765  88.1391      2.18118  9.59827  0.113439  9.38531  0.116202  
1 1 1 45 2  8  o 7.71283  0.0755349 59.5043      1.16517  58.3655      1.60208  60.7831      1.69768  7.63767  0.10488   7.79408  0.108908  
1 1 1 45 2  9  o 4.27697  0.0801699 18.2987      0.685769 19.9304      0.962304 16.615       0.977523 4.46298  0.107809  4.07461  0.119953  
1 1 1 45 2  10 o 10.3462  0.0908964 107.094      1.88086  107.966      2.63141  106.184      2.68943  10.3859  0.126682  10.2996  0.13056   
1 1 1 45 2  11 o 1.11697  0.251857  1.30251      0.549221 0.808335     0.78235  1.78271      0.771201 0.952007 0.33276   1.30574  0.301233  
1 1 1 45 2  12 o 15.6598  0.114339  245.447      3.58106  248.649      5.18535  242.528      4.95151  15.7539  0.164573  15.5598  0.159112  
1 1 1 45 2  13 o 3.94341  0.0859835 15.5592      0.678136 15.6727      1.00209  15.4633      0.921083 3.95644  0.12664   3.93026  0.117178  
1 1 1 45 2  14 o 3.60513  0.0983447 13.008       0.709091 13.2319      1.09523  12.8465      0.930418 3.63393  0.150695  3.58153  0.129891  
1 1 1 45 2  15 o 4.15121  0.086403  17.2459      0.717354 16.1582      0.981817 18.4914      1.05066  4.01664  0.122219  4.29685  0.122259  
1 1 1 45 2  16 o 2.53501  0.120835  6.43682      0.612635 7.13664      0.870721 5.75073      0.862136 2.66745  0.163213  2.39369  0.180085  
1 1 1 45 2  17 o 1.82983  0.162458  3.35952      0.59454  4.03455      0.845333 2.69875      0.836353 2.00294  0.211023  1.63598  0.255612  
1 1 1 45 2  18 o 8.5546   0.0811346 73.2501      1.38815  72.8175      1.98532  73.6639      1.94168  8.52501  0.116441  8.57487  0.113219  
1 1 1 45 2  19 o 2.77443  0.111722  7.71281      0.619929 7.66776      0.874064 7.7584       0.879383 2.7635   0.158145  2.77978  0.158175  
1 1 1 45 2  20 o 3.79246  0.0924019 14.4052      0.700861 13.9438      0.993163 14.8629      0.989184 3.72808  0.1332    3.84943  0.128485  
1 1 1 45 2  21 o 2.11467  0.147217  4.49156      0.622631 4.33987      0.88049  4.64328      0.880575 2.07379  0.21229   2.1457   0.205196  
1 1 1 45 2  22 o 2.27245  0.140541  5.18717      0.638744 4.50794      0.898332 5.8817       0.908392 2.11243  0.21263   2.4156   0.188027  
1 1 1 45 2  23 o 1.83531  0.19137   3.40112      0.702448 3.17242      1.00348  3.62085      0.983638 1.7624   0.284692  1.88603  0.26077   
1 1 1 45 2  24 o 3.33524  0.116024  11.1685      0.773935 11.5487      1.06604  10.7447      1.12539  3.3859   0.157423  3.26354  0.172418  
1 1 1 45 2  25 o 5.3915   0.0925792 29.1524      0.998281 29.2787      1.42693  29.0313      1.39711  5.3949   0.132248  5.37259  0.130022  
1 1 1 45 2  26 o 1.65976  0.244041  2.81346      0.810096 2.69494      1.15957  2.92646      1.13221  1.57259  0.373697  1.64438  0.354386  
1 1 1 45 2  27 o 2.95362  0.147626  8.79955      0.872062 9.31981      1.2416   8.29301      1.22513  3.02749  0.205055  2.85358  0.214664  
1 1 1 45 2  28 o 3.23728  0.134474  10.574       0.870661 9.98028      1.24984  11.1338      1.21356  3.12861  0.199744  3.30948  0.183346  
1 1 1 45 2  29 o 2.9922   0.143821  9.05512      0.860683 10.3756      1.23885  7.82315      1.19663  3.18805  0.194296  2.76142  0.216668  
1 1 1 45 2  30 o 1.17296  0.327845  1.51157      0.798618 1.55394      1.11136  1.46632      1.14839  1.20049  0.397437  1.17918  0.404004  
1 1 1 45 2  31 f 2.00406  0.208701  4.13893      0.836502 4.05294      1.17875  4.22617      1.18728  1.95183  0.301959  1.99483  0.29759   
1 1 1 45 2  32 o 3.18163  0.144006  10.283       0.916348 10.2479      1.29698  10.318       1.29485  3.15063  0.205828  3.16189  0.204759  
1 1 1 45 2  33 o 1.33481  0.321306  2.01244      0.848701 3.32478      1.20119  0.704215     1.1993   1.70118  0.363664  0.977531 0.395271  
1 1 1 45 2  34 o 2.04372  0.217943  4.3947       0.890828 4.10543      1.24847  4.69474      1.27149  1.88767  0.343378  2.06149  0.308392  
1 1 1 45 2  35 o 1.48512  0.302696  2.52519      0.867914 3.87713      1.22671  1.17012      1.22813  1.81309  0.350813  1.05354  0.408102  
1 1 1 45 2  36 o 1.73698  0.24802   3.30623      0.861613 2.27134      1.22515  4.31894      1.21196  1.31105  0.416451  1.93536  0.31311   
1 1 1 45 2  37 o 2.12816  0.224144  4.95957      0.954027 3.75041      1.31415  6.30693      1.38721  1.6806   0.396845  2.32439  0.298403  
1 1 1 45 2  38 o 0.63028  0.295996  -0.495328    0.959768 -0.0627858   1.34523  -0.943777    1.36974  0.78371  0.362601  0.696593 0.335125  
1 1 1 45 2  39 f 0.747491 0.341573  0.124135     1.15072  -0.0810636   1.66717  0.310844     1.59029  0.809605 0.383491  0.838835 0.390455  
1 1 1 45 2  40 o 1.18473  0.440652  2.96929      1.39402  3.5842       1.94463  2.31927      1.99939  1.12945  0.483314  0.967793 0.445574  
1 1 1 45 2  41 o 0.660961 0.318699  -0.0855631   1.25606  -0.579556    1.80389  0.379355     1.75     0.684434 0.340145  0.738351 0.360426  
1 1 1 45 3  0  o 1.63511  0.292708  2.92073      0.865457 2.92073      0.865457 2.92073      0.865457 1.67768  0.187744  ?        ?         
1 1 1 45 3  1  o 18.4164  0.137425  339.407      5.06174  340.473      7.5509   338.538      6.82132  18.4371  0.204775  18.3873  0.18549   
1 1 1 45 3  2  o 6.74302  0.0721239 45.4775      0.972666 45.0086      1.47828  45.8355      1.29164  6.70725  0.1102    6.76899  0.095409  
1 1 1 45 3  3  o 5.48835  0.0690175 30.1277      0.757584 31.1769      1.1058   29.1997      1.03999  5.58252  0.0990417 5.40266  0.0962481 
1 1 1 45 3  4  o 8.76072  0.0752119 76.7685      1.31782  75.932       1.87632  77.5828      1.85129  8.71175  0.107689  8.80605  0.105115  
1 1 1 45 3  5  o 10.2508  0.0825202 105.11       1.69179  103.913      2.37643  106.34       2.40902  10.1907  0.116598  10.309   0.116841  
1 1 1 45 3  6  o 8.27677  0.0764662 68.5235      1.26579  68.1573      1.73969  68.9355      1.84515  8.2536   0.10539   8.30035  0.111149  
1 1 1 45 3  7  o 2.58115  0.108818  6.6662       0.561752 6.7181       0.803057 6.61648      0.786088 2.5904   0.155007  2.57077  0.152889  
1 1 1 45 3  8  o 11.0486  0.0874303 122.121      1.93197  122.271      2.68228  121.96       2.78506  11.0534  0.121333  11.039   0.126147  
1 1 1 45 3  9  o 10.184   0.0843951 103.756      1.71897  102.03       2.33186  105.811      2.54394  10.0972  0.11547   10.282   0.123708  
1 1 1 45 3  10 o 15.7226  0.112964  247.391      3.55218  245.856      5.11086  248.826      4.94054  15.6671  0.163108  15.7625  0.156718  
1 1 1 45 3  11 o 11.1794  0.0897398 125.044      2.00647  127.764      2.8882   122.507      2.78952  11.2972  0.127829  11.0624  0.126081  
1 1 1 45 3  12 o 3.63451  0.0883268 13.2171      0.642049 13.5974      0.93437  12.877       0.883735 3.68529  0.12677   3.58645  0.123205  
1 1 1 45 3  13 o 2.38412  0.120172  5.69079      0.573011 5.2878       0.812064 6.09041      0.808667 2.29654  0.176801  2.46513  0.164021  
1 1 1 45 3  14 o 8.67645  0.0826167 75.3306      1.43364  75.9068      2.09232  74.8208      1.96831  8.70639  0.12016   8.6445   0.113847  
1 1 1 45 3  15 o 5.74659  0.0768758 33.0444      0.883547 32.8816      1.22191  33.2228      1.27911  5.73074  0.10661   5.7601   0.111031  
1 1 1 45 3  16 o 3.77929  0.090788  14.297       0.686229 14.5411      1.00214  14.0815      0.94163  3.80936  0.131537  3.74902  0.125584  
1 1 1 45 3  17 o 1.41329  0.205197  2.00884      0.580008 2.41605      0.816578 1.59421      0.823983 1.52291  0.27845   1.232    0.328355  
1 1 1 45 3  18 o 3.76688  0.0891842 14.2062      0.671892 13.8583      0.969936 14.5271      0.93162  3.71792  0.130441  3.80716  0.122351  
1 1 1 45 3  19 o 5.01957  0.0798154 25.2233      0.801279 24.006       1.10432  26.5767      1.16442  4.89428  0.112817  5.14965  0.113059  
1 1 1 45 3  20 o 2.03656  0.148317  4.16509      0.604114 4.53795      0.852265 3.78857      0.856441 2.12206  0.200811  1.93737  0.221032  
1 1 1 45 3  21 o 1.07233  0.277319  1.21231      0.599036 0.732644     0.842612 1.70249      0.851794 0.937381 0.343545  1.26713  0.332092  
1 1 1 45 3  22 o 1.14988  0.272775  1.3987       0.618661 1.57651      0.866601 1.2139       0.88348  1.22072  0.341619  1.09751  0.354155  
1 1 1 45 3  23 o 2.77483  0.133853  7.73809      0.742838 8.10449      1.04278  7.36059      1.05846  2.83363  0.184001  2.69876  0.196101  
1 1 1 45 3  24 o 2.4392   0.146144  5.98893      0.712947 5.21338      0.973891 6.8845       1.04654  2.26713  0.214785  2.60761  0.200671  
1 1 1 45 3  25 o 2.55685  0.147886  6.58826      0.756248 6.76324      1.05843  6.40577      1.08092  2.58131  0.205018  2.51026  0.215299  
1 1 1 45 3  26 o 2.83852  0.151793  8.1254       0.861731 7.98834      1.22745  8.25861      1.21008  2.80157  0.219065  2.85009  0.212287  
1 1 1 45 3  27 o 3.66999  0.121946  13.5494      0.895079 12.9276      1.24493  14.2148      1.28783  3.57353  0.174188  3.74784  0.171809  
1 1 1 45 3  28 o 2.49434  0.162015  6.30379      0.808243 5.72188      1.13597  6.9004       1.15023  2.35806  0.240869  2.59516  0.22161   
1 1 1 45 3  29 o 2.00197  0.207794  4.10677      0.831993 5.43706      1.24567  3.03537      1.11791  2.28352  0.272752  1.65845  0.348128  
1 1 1 45 3  30 o 0.764203 0.316194  0.240414     0.78757  0.63134      1.09095  -0.185058    1.13813  0.953156 0.380396  0.808014 0.357269  
1 1 1 45 3  31 o 1.92316  0.218672  3.82894      0.841083 3.94744      1.18201  3.7074       1.19707  1.92117  0.307627  1.82626  0.340417  
1 1 1 45 3  32 o 0.641252 0.291877  -0.408673    0.825275 -0.427712    1.14864  -0.388358    1.18651  0.766273 0.347507  0.785382 0.354834  
1 1 1 45 3  33 o 1.56937  0.283932  2.70478      0.858485 1.4053       1.20014  4.06645      1.22852  1.14232  0.410845  1.93106  0.318094  
1 1 1 45 3  34 o 1.32689  0.326954  2.04573      0.863184 1.56116      1.20111  2.5633       1.24134  1.1584   0.411568  1.43875  0.410886  
1 1 1 45 3  35 o 1.76505  0.252702  3.37661      0.892063 1.62104      1.24241  5.24477      1.28164  1.15997  0.417936  2.16873  0.295481  
1 1 1 45 3  36 o 1.02032  0.347871  1.24852      0.851439 1.76287      1.19193  0.712569     1.21669  1.16467  0.410375  0.926384 0.388709  
1 1 1 45 3  37 o 0.832905 0.343458  0.602477     0.924785 -1.12422     1.30627  2.3375       1.30942  0.683503 0.328447  1.27714  0.431401  
1 1 1 45 3  38 o 0.712022 0.324528  -0.0232737   1.0278   -0.193858    1.46587  0.141687     1.44151  0.784408 0.367913  0.818461 0.377407  
1 1 1 45 3  39 o 0.546915 0.272016  -1.93634     1.16505  -0.269584    1.69382  -3.43293     1.60503  0.788828 0.377831  0.578277 0.291869  
1 1 1 45 3  40 o 0.66191  0.319518  -0.376187    1.27129  0.602467     1.81329  -1.32225     1.78284  0.80237  0.385909  0.674644 0.335675  
1 1 1 45 3  41 o 0.642743 0.313456  -0.165489    1.31218  0.475971     1.82493  -0.852108    1.88807  0.719914 0.354553  0.654084 0.328803  
1 1 1 45 4  0  o 5.52903  0.102858  30.6087      1.13652  30.6087      1.13652  30.6087      1.13652  5.53077  0.0726801 ?        ?         
1 1 1 45 4  1  o 3.25326  0.0951604 10.5877      0.619163 10.0117      0.853734 11.2269      0.899299 3.16289  0.134961  3.34937  0.134249  
1 1 1 45 4  2  o 6.40084  0.0703828 40.9795      0.901019 40.144       1.25763  41.8607      1.29151  6.33457  0.0992672 6.46858  0.0998297 
1 1 1 45 4  3  o 11.6428  0.0906986 135.604      2.11197  133.311      2.98367  137.907      2.9899   11.5417  0.129256  11.7391  0.127348  
1 1 1 45 4  4  o 9.40532  0.0783214 88.4847      1.47328  86.6987      2.02334  90.5001      2.14942  9.30869  0.10868   9.51036  0.113004  
1 1 1 45 4  5  o 7.72119  0.0724704 59.6316      1.11911  60.8652      1.57191  58.3636      1.59365  7.79973  0.100767  7.63763  0.104329  
1 1 1 45 4  6  o 7.88869  0.0736735 62.2483      1.16238  61.5905      1.59719  62.9889      1.69485  7.84594  0.101784  7.9343   0.106805  
1 1 1 45 4  7  o 5.32549  0.071311  28.3684      0.759532 28.1359      1.06824  28.6062      1.08014  5.30291  0.100722  5.34705  0.101003  
1 1 1 45 4  8  f 6.97277  0.0713846 48.6333      0.995497 48.6172      1.40097  48.6498      1.41482  6.97064  0.100491  6.97294  0.101451  
1 1 1 45 4  9  f 7.89467  0.0734826 62.3458      1.16024  62.521       1.63478  62.1681      1.64694  7.90449  0.103408  7.8821   0.104474  
1 1 1 45 4  10 o 5.3383   0.0732316 28.5073      0.781864 28.7967      1.09589  28.2073      1.11583  5.36443  0.102144  5.30914  0.105085  
1 1 1 45 4  11 o 7.1287   0.073074  50.8375      1.04185  50.7114      1.47497  50.9631      1.47182  7.11847  0.103601  7.13614  0.103124  
1 1 1 45 4  12 o 18.4615  0.130645  341.283      4.82379  335.976      6.74528  346.838      6.90113  18.3051  0.184246  18.5983  0.185532  
1 1 1 45 4  13 o 5.97771  0.0741944 35.7508      0.887025 35.0865      1.24311  36.4399      1.26609  5.92043  0.104985  6.03354  0.104921  
1 1 1 45 4  14 o 15.3759  0.115631  236.747      3.55585  238.223      5.12674  235.38       4.93615  15.4124  0.166319  15.3215  0.161086  
1 1 1 45 4  15 o 8.26706  0.081733  68.3957      1.35138  67.4308      1.91983  69.3435      1.90258  8.20529  0.116987  8.32113  0.114322  
1 1 1 45 4  16 o 10.4098  0.090409  108.476      1.88228  107.008      2.70734  109.849      2.61875  10.3332  0.131002  10.4705  0.125054  
1 1 1 45 4  17 o 7.8967   0.0803405 62.4149      1.26885  62.218       1.80153  62.6086      1.78741  7.88052  0.114303  7.90537  0.11305   
1 1 1 45 4  18 o 2.06259  0.146097  4.2685       0.602675 4.84295      0.87063  3.73997      0.835102 2.19384  0.198426  1.92674  0.216713  
1 1 1 45 4  19 o 6.12339  0.0775504 37.5362      0.949742 39.5176      1.35456  35.6203      1.332    6.27975  0.107851  5.9616   0.111715  
1 1 1 45 4  20 o 4.90524  0.0822588 24.0939      0.806998 24.0319      1.12926  24.1587      1.15367  4.89575  0.11533   4.90841  0.11752   
1 1 1 45 4  21 o 4.20554  0.0880531 17.7165      0.740621 17.9479      1.04401  17.4821      1.05082  4.2295   0.12342   4.17398  0.125877  
1 1 1 45 4  22 o 2.63531  0.128872  6.97395      0.679235 7.67265      0.958032 6.26777      0.963154 2.75952  0.173586  2.49188  0.193259  
1 1 1 45 4  23 o 3.44579  0.111031  11.9157      0.765178 11.7112      1.06041  12.1378      1.10523  3.41038  0.155468  3.47137  0.159193  
1 1 1 45 4  24 o 1.50133  0.222352  2.28968      0.667644 2.37022      0.93265  2.20503      0.956172 1.48726  0.322613  1.43098  0.338895  
1 1 1 45 4  25 o 1.08354  0.316122  1.24213      0.727145 1.5255       1.04979  0.98079      1.00815  1.20797  0.385678  1.04103  0.376339  
1 1 1 45 4  26 o 1.43333  0.286448  2.18788      0.792114 1.65067      1.11089  2.74353      1.12979  1.2494   0.396524  1.58714  0.36355   
1 1 1 45 4  27 o 0.759017 0.310874  0.245221     0.752557 -0.323333    1.03811  0.874938     1.09252  0.757037 0.337311  1.02684  0.388295  
1 1 1 45 4  28 o 1.74086  0.227855  3.11069      0.793327 4.19842      1.13778  2.08152      1.10673  2.00835  0.283262  1.36985  0.386937  
1 1 1 45 4  29 o 1.39317  0.296896  2.11066      0.80271  1.43482      1.15862  2.7345       1.11315  1.17408  0.405468  1.56678  0.362204  
1 1 1 45 4  30 o 2.25881  0.183805  5.2138       0.830362 5.68152      1.16748  4.73498      1.18126  2.33657  0.249827  2.12315  0.278187  
1 1 1 45 4  31 o 0.728712 0.313316  0.0479121    0.824036 -0.492174    1.15113  0.615563     1.18014  0.75917  0.345327  0.963833 0.391124  
1 1 1 45 4  32 o 0.938772 0.340979  0.854045     0.828456 -0.045206    1.15857  1.79495      1.1851   0.828307 0.363822  1.25492  0.410412  
1 1 1 45 4  33 o 2.24186  0.197772  5.21408      0.886755 5.1534       1.2496   5.27563      1.25857  2.18649  0.285755  2.21305  0.284351  
1 1 1 45 4  34 o 2.15697  0.205798  4.88872      0.887802 4.61267      1.25921  5.16157      1.25191  2.0345   0.309464  2.16646  0.288929  
1 1 1 45 4  35 o 0.590217 0.277038  -0.666288    0.83681  -0.649902    1.18043  -0.682842    1.18645  0.719363 0.335444  0.717069 0.335119  
1 1 1 45 4  36 o 1.69606  0.266229  3.23007      0.903081 2.2919       1.25702  4.23083      1.29828  1.2932   0.422681  1.83767  0.366221  
1 1 1 45 4  37 o 1.40959  0.331654  2.49305      0.920442 3.34414      1.33417  1.72006      1.27149  1.5402   0.421153  1.11674  0.41975   
1 1 1 45 4  38 o 1.50538  0.345251  3.05092      1.01789  3.05811      1.40767  3.04304      1.47361  1.35415  0.447293  1.32997  0.457471  
1 1 1 45 4  39 f 0.714619 0.337386  -0.157154    1.27991  -0.013893    1.93117  -0.269374    1.7092   0.813796 0.393056  0.770311 0.37151   
1 1 1 45 4  40 o 0.621456 0.303373  -0.814248    1.24016  -0.795271    1.75901  -0.833003    1.74873  0.70596  0.347675  0.702409 0.346053  
1 1 1 45 5  0  o 8.47513  0.105895  71.8799      1.79432  71.8799      1.79432  71.8799      1.79432  8.47666  0.0748523 ?        ?         
1 1 1 45 5  1  o 12.8274  0.0963585 164.612      2.47206  164.056      3.40344  165.233      3.59658  12.8032  0.132914  12.8485  0.139961  
1 1 1 45 5  2  o 15.7302  0.118175  247.601      3.71783  245.959      4.82989  249.99       5.82424  15.6744  0.15407   15.7985  0.184329  
1 1 1 45 5  3  o 11.403   0.0907302 130.08       2.0692   126.006      2.78713  135.083      3.08861  11.2211  0.124192  11.6176  0.132928  
1 1 1 45 5  4  o 2.81601  0.1025    7.934        0.577283 7.01084      0.801486 8.92922      0.832181 2.64631  0.151435  2.98676  0.139312  
1 1 1 45 5  5  o 1.50604  0.182938  2.27204      0.551024 3.27589      0.764114 1.18442      0.795356 1.80789  0.211328  1.08562  0.333917  
1 1 1 45 5  6  o 7.10445  0.0723067 50.4874      1.0274   50.838       1.45068  50.1345      1.45526  7.12812  0.101757  7.07859  0.102793  
1 1 1 45 5  7  o 9.76539  0.0805852 95.3977      1.57389  96.5743      2.25743  94.2848      2.1955   9.82358  0.114898  9.70655  0.113094  
1 1 1 45 5  8  o 12.3867  0.0942499 153.511      2.33489  152.562      3.33846  154.42       3.26677  12.3449  0.135217  12.4202  0.131511  
1 1 1 45 5  9  o 4.46001  0.0769035 19.8992      0.68598  20.3521      0.975636 19.4563      0.964701 4.50963  0.108173  4.40923  0.109396  
1 1 1 45 5  10 o 5.26857  0.0759531 27.7689      0.800328 29.3914      1.15518  26.2712      1.10985  5.41923  0.106581  5.12344  0.108311  
1 1 1 45 5  11 o 4.36727  0.0779962 19.0818      0.68126  18.6381      0.943851 19.5645      0.984319 4.3152   0.109364  4.42107  0.111321  
1 1 1 45 5  12 o 3.30841  0.0909292 10.9533      0.601661 11.2519      0.860108 10.6672      0.841937 3.35201  0.128298  3.26372  0.128984  
1 1 1 45 5  13 o 4.35529  0.0813423 18.9812      0.708538 19.2719      1.00705  18.6962      0.997076 4.3871   0.114774  4.32104  0.115374  
1 1 1 45 5  14 f 5.13154  0.0770311 26.3497      0.790577 27.3706      1.14924  25.4326      1.08926  5.22826  0.109906  5.03987  0.108064  
1 1 1 45 5  15 o 3.46872  0.0959208 12.0452      0.665444 11.5817      0.955128 12.4824      0.927634 3.39917  0.140494  3.5294   0.131415  
1 1 1 45 5  16 o 2.6566   0.118636  7.071        0.630336 7.40324      0.916743 6.77309      0.868103 2.71564  0.168789  2.5976   0.167097  
1 1 1 45 5  17 o 2.92443  0.106254  8.5666       0.621467 7.93807      0.847754 9.29676      0.913724 2.81269  0.150702  3.04394  0.150089  
1 1 1 45 5  18 o 3.57335  0.0927938 12.7871      0.66317  11.7924      0.926264 13.8332      0.94991  3.42877  0.135072  3.71421  0.127875  
1 1 1 45 5  19 o 1.76802  0.171187  3.14311      0.605322 3.53152      0.868863 2.7768       0.843797 1.86976  0.232346  1.65629  0.254725  
1 1 1 45 5  20 o 4.18116  0.0889261 17.5106      0.743627 18.2206      1.0724   16.853       1.03206  4.26165  0.125819  4.09858  0.125904  
1 1 1 45 5  21 o 6.33811  0.0807439 40.232       1.02353  39.7653      1.43927  40.7095      1.45584  6.29653  0.114291  6.37086  0.114258  
1 1 1 45 5  22 o 3.76757  0.103032  14.2351      0.776365 13.42        1.06323  15.166       1.1363   3.65303  0.145527  3.8833   0.146305  
1 1 1 45 5  23 o 4.31645  0.0946322 18.6816      0.81695  18.8169      1.13209  18.5345      1.18009  4.32684  0.130822  4.29312  0.13744   
1 1 1 45 5  24 o 2.26494  0.15344   5.17062      0.695063 4.99278      0.969658 5.35857      0.996839 2.21647  0.218739  2.29652  0.217033  
1 1 1 45 5  25 o 1.2652   0.312938  1.72061      0.788486 2.71933      1.15856  0.858905     1.07616  1.58011  0.372291  1.02414  0.385925  
1 1 1 45 5  26 o 2.14661  0.187816  4.67243      0.806336 5.86553      1.07225  3.11955      1.22328  2.39816  0.223556  1.69013  0.371945  
1 1 1 45 5  27 o 1.92744  0.20491   3.78902      0.789901 3.96219      1.12257  3.61919      1.11169  1.95275  0.287432  1.86363  0.29826   
1 1 1 45 5  28 o 0.858002 0.325175  0.594134     0.767628 0.7671       1.13384  0.447766     1.04302  1.00216  0.391312  0.90353  0.367342  
1 1 1 45 5  29 f 3.30628  0.135807  11.0518      0.898033 11.4888      1.25609  10.5949      1.2844   3.35451  0.187224  3.21685  0.199637  
1 1 1 45 5  30 o 2.39516  0.173846  5.85346      0.832779 5.34119      1.16283  6.39285      1.19321  2.26129  0.257116  2.48054  0.240515  
1 1 1 45 5  31 o 1.70168  0.245254  3.0275       0.834685 3.43888      1.15254  2.57375      1.21044  1.7556   0.340395  1.48971  0.3984    
1 1 1 45 5  32 f 0.855305 0.335406  0.573059     0.834837 1.52474      1.1953   -0.333318    1.1665   1.17508  0.411255  0.781679 0.352567  
1 1 1 45 5  33 o 0.816219 0.331275  0.438403     0.84679  0.409455     1.17591  0.469583     1.22042  0.902196 0.380515  0.924956 0.388763  
1 1 1 45 5  34 o 1.76265  0.247849  3.342        0.873743 4.16029      1.24252  2.54154      1.22891  1.89047  0.341099  1.4256   0.409373  
1 1 1 45 5  35 o 2.33142  0.191261  5.7243       0.891823 5.84311      1.26502  5.60691      1.25747  2.29427  0.275691  2.24374  0.280217  
1 1 1 45 5  36 o 0.626062 0.290139  -0.419958    0.865873 -1.95494     1.18091  1.36481      1.27337  0.578616 0.284961  1.05259  0.413824  
1 1 1 45 5  37 o 2.19376  0.216769  5.30482      0.951079 6.04129      1.36828  4.61636      1.32292  2.24093  0.305292  1.88219  0.36444   
1 1 1 45 5  38 o 0.680705 0.315335  -0.179032    1.02146  1.81971      1.58915  -1.58623     1.33341  1.05321  0.44319   0.623912 0.307278  
1 1 1 45 5  39 o 0.838598 0.373265  0.936296     1.26827  0.227955     1.92757  1.47705      1.68418  0.812078 0.392306  0.920028 0.418283  
1 1 1 45 5  40 o 1.17126  0.424098  2.77001      1.28071  1.97717      1.86921  3.47153      1.75828  0.931483 0.429615  1.14957  0.473733  
1 1 1 45 6  0  o 5.6329   0.0954376 31.764       1.07448  31.764       1.07448  31.764       1.07448  5.63443  0.0674444 ?        ?         
1 1 1 45 6  1  o 13.1887  0.0984698 174.024      2.59737  171.877      3.55311  176.489      3.80643  13.1042  0.135571  13.2781  0.143334  
1 1 1 45 6  2  o 3.92056  0.0807285 15.3758      0.633002 15.0377      0.866346 15.7631      0.927145 3.87664  0.111739  3.96892  0.116801  
1 1 1 45 6  3  o 6.33558  0.072964  40.1505      0.924538 40.0497      1.23528  40.2789      1.39406  6.32694  0.0976204 6.34461  0.109862  
1 1 1 45 6  4  o 4.16257  0.0786102 17.3326      0.654441 16.2286      0.87927  18.7039      0.979929 4.02721  0.109166  4.32334  0.11333   
1 1 1 45 6  5  o 10.0422  0.08145   100.883      1.63588  101.41       2.2754   100.319      2.35354  10.0667  0.113016  10.0122  0.117534  
1 1 1 45 6  6  f 3.02839  0.0906711 9.17544      0.549175 8.90318      0.783736 9.43807      0.769753 2.98235  0.131396  3.07077  0.125336  
1 1 1 45 6  7  o 8.48439  0.0743258 72.0088      1.26122  71.4484      1.77315  72.5827      1.79431  8.44991  0.104921  8.5167   0.10534   
1 1 1 45 6  8  o 4.55641  0.0726719 20.7679      0.662246 19.7007      0.922358 21.9033      0.951433 4.43701  0.103939  4.67854  0.101681  
1 1 1 45 6  9  o 2.7752   0.0994754 7.70695      0.552128 8.32458      0.783876 7.09884      0.777813 2.88339  0.13593   2.66239  0.146074  
1 1 1 45 6  10 o 10.4049  0.0899467 108.327      1.87177  110.097      2.79658  106.891      2.51925  10.4856  0.133353  10.333   0.121903  
1 1 1 45 6  11 o 7.28949  0.0753689 53.1617      1.0988   52.031       1.59881  54.1738      1.51265  7.20954  0.110882  7.35703  0.102803  
1 1 1 45 6  12 o 9.26303  0.0838668 85.8615      1.55372  85.1099      2.20602  86.6012      2.18867  9.21922  0.119642  9.29984  0.117672  
1 1 1 45 6  13 o 4.21674  0.0826324 17.7938      0.696879 15.9898      0.970755 19.7121      1.00101  3.9956   0.121478  4.43685  0.112807  
1 1 1 45 6  14 o 2.07336  0.138012  4.30816      0.572297 5.20852      0.826649 3.47941      0.793094 2.27793  0.181448  1.86048  0.213142  
1 1 1 45 6  15 o 1.9713   0.151137  3.89739      0.595872 2.6596       0.828578 5.22325      0.857551 1.62406  0.255094  2.28028  0.188036  
1 1 1 45 6  16 o 6.52288  0.0773681 42.5842      1.00933  41.9954      1.41872  43.1876      1.43624  6.47485  0.109557  6.56612  0.109368  
1 1 1 45 6  17 o 2.76347  0.112423  7.65182      0.621356 7.42907      0.849307 7.90834      0.91144  2.72041  0.156099  2.80634  0.162389  
1 1 1 45 6  18 o 4.707    0.0803665 22.1811      0.75657  21.9276      1.04273  22.463       1.09942  4.67752  0.111462  4.73384  0.116123  
1 1 1 45 6  19 o 4.38692  0.0844176 19.2722      0.740667 20.325       1.05333  18.2425      1.04169  4.50225  0.116978  4.26486  0.122124  
1 1 1 45 6  20 o 6.79948  0.0789869 46.2946      1.07414  46.8347      1.51887  45.7543      1.51926  6.83463  0.111116  6.75513  0.112452  
1 1 1 45 6  21 o 7.67842  0.088716  59.0714      1.3624   59.7799      1.88068  58.2891      1.97632  7.7178   0.12184   7.61913  0.129695  
1 1 1 45 6  22 o 4.32511  0.0955762 18.7547      0.826755 18.3189      1.10628  19.3059      1.24426  4.27007  0.129539  4.38154  0.141988  
1 1 1 45 6  23 o 3.37925  0.108888  11.4615      0.73592  12.2833      1.0305   10.6061      1.0513   3.4929   0.147514  3.24341  0.162067  
1 1 1 45 6  24 o 5.5033   0.0936262 30.3809      1.03051  31.1542      1.49077  29.6732      1.42609  5.56374  0.133972  5.43057  0.131302  
1 1 1 45 6  25 o 2.1643   0.176854  4.73787      0.76553  5.17304      1.0481   4.24023      1.1208   2.25202  0.232702  2.03082  0.275947  
1 1 1 45 6  26 o 3.72901  0.115186  13.9796      0.859059 13.2827      1.16318  14.8158      1.27418  3.6257   0.160408  3.82771  0.166442  
1 1 1 45 6  27 o 1.75613  0.225347  3.16235      0.791481 2.56183      1.09267  3.82525      1.14803  1.52286  0.363316  1.91345  0.299989  
1 1 1 45 6  28 o 3.79623  0.124314  14.5373      0.943848 14.7543      1.36762  14.3399      1.30424  3.8064   0.179648  3.75477  0.173677  
1 1 1 45 6  29 o 1.17676  0.325381  1.52258      0.790958 1.97474      1.08176  1.00316      1.15944  1.32665  0.385102  1.05859  0.400094  
1 1 1 45 6  30 o 2.02948  0.205884  4.2429       0.835676 3.63981      1.17581  4.8585       1.18793  1.81314  0.336852  2.14667  0.276693  
1 1 1 45 6  31 o 2.13334  0.199857  4.69011      0.852728 4.63527      1.18392  4.74922      1.22924  2.08975  0.283268  2.11189  0.291028  
1 1 1 45 6  32 o 0.755235 0.318798  0.184554     0.826529 -0.437846    1.19144  0.761961     1.14757  0.774509 0.352042  0.978871 0.390305  
1 1 1 45 6  33 o 0.853859 0.335977  0.600797     0.840012 1.71065      1.18384  -0.524649    1.19212  1.20383  0.410192  0.752395 0.345417  
1 1 1 45 6  34 o 0.685723 0.30432   -0.101233    0.836104 -0.0085562   1.15933  -0.201682    1.20697  0.809606 0.358943  0.79366  0.358264  
1 1 1 45 6  35 o 1.96186  0.224316  4.14576      0.880152 4.45666      1.23399  3.8238       1.25575  1.96814  0.31349   1.76107  0.368443  
1 1 1 45 6  36 o 1.73293  0.266661  3.40263      0.924208 3.8114       1.309    2.99631      1.30507  1.70233  0.392269  1.46848  0.421925  
1 1 1 45 6  37 o 0.690965 0.312662  -0.0293336   0.924774 0.478061     1.27267  -0.596948    1.34607  0.849495 0.376423  0.72812  0.344749  
1 1 1 45 6  38 o 0.870211 0.366007  0.893079     1.08298  0.63089      1.66144  1.08678      1.42804  0.886645 0.407356  0.929067 0.406025  
1 1 1 45 6  39 o 0.662179 0.316879  -0.324316    1.18454  -2.20402     1.83306  1.02342      1.55215  0.649688 0.325464  0.851471 0.392246  
1 1 1 45 6  40 o 0.595136 0.293155  -0.978623    1.21694  -1.05951     1.7734   -0.906631    1.67301  0.677934 0.336962  0.67407  0.333617  
1 1 1 45 7  0  o 0.615885 0.362718  0.45179      0.745587 0.45179      0.745587 0.45179      0.745587 0.570396 0.317115  ?        ?         
1 1 1 45 7  1  o 7.61281  0.0710252 57.9705      1.0814   57.2617      1.46329  58.8235      1.60522  7.56526  0.0967109 7.66741  0.104678  
1 1 1 45 7  2  o 5.07019  0.0727242 25.7142      0.737451 25.1605      1.0067   26.3553      1.08334  5.01466  0.100375  5.1322   0.105543  
1 1 1 45 7  3  o 0.491138 0.226299  -0.413316    0.51698  0.301786     0.730288 -1.13169     0.731956 0.779169 0.311145  0.505473 0.243619  
1 1 1 45 7  4  o 2.08667  0.127791  4.35824      0.533316 4.3586       0.748833 4.35786      0.759729 2.08582  0.179505  2.08559  0.182138  
1 1 1 45 7  5  o 12.371   0.0953436 153.122      2.35899  151.392      3.20059  155.18       3.49045  12.298   0.130126  12.45    0.140179  
1 1 1 45 7  6  o 9.55087  0.0825142 91.2572      1.57616  90.6512      2.19553  91.9016      2.26412  9.51719  0.115346  9.58241  0.118139  
1 1 1 45 7  7  o 10.2783  0.0821345 105.69       1.68841  105.974      2.38156  105.402      2.39403  10.2899  0.115723  10.262   0.116646  
1 1 1 45 7  8  o 3.57241  0.0793481 12.7676      0.566928 12.6388      0.806126 12.8937      0.79746  3.55352  0.113426  3.58924  0.11109   
1 1 1 45 7  9  o 9.36584  0.0793487 87.76        1.48633  90.6252      2.17265  85.2394      2.03782  9.51507  0.114169  9.22829  0.110411  
1 1 1 45 7  10 o 5.62643  0.0713249 31.6699      0.80261  31.1162      1.16871  32.1641      1.10416  5.57566  0.104805  5.66913  0.0973838 
1 1 1 45 7  11 o 5.16538  0.0726836 26.6942      0.750877 26.2295      1.04967  27.1812      1.07456  5.11899  0.102527  5.211    0.103105  
1 1 1 45 7  12 o 10.0881  0.0903755 101.857      1.82344  103.32       2.6389   100.52       2.5225   10.1558  0.129921  10.0178  0.125902  
1 1 1 45 7  13 o 7.52226  0.0812147 56.6259      1.22183  57.4725      1.7189   55.7612      1.73711  7.57563  0.113449  7.46171  0.116402  
1 1 1 45 7  14 o 3.34436  0.0925037 11.1964      0.618731 11.0327      0.891605 11.3485      0.859323 3.31789  0.134363  3.36539  0.127671  
1 1 1 45 7  15 o 2.51731  0.119879  6.34936      0.603544 5.4501       0.847718 7.27375      0.859484 2.32925  0.181972  2.69228  0.15962   
1 1 1 45 7  16 o 9.57579  0.0852125 91.7949      1.63195  90.2905      2.28283  93.3672      2.33388  9.49182  0.120252  9.65207  0.1209    
1 1 1 45 7  17 o 7.43166  0.0822493 55.2918      1.2225   55.1888      1.76498  55.3867      1.6949   7.42011  0.118932  7.43412  0.113994  
1 1 1 45 7  18 o 4.1555   0.0847254 17.2913      0.704152 17.3212      0.975997 17.2588      1.0169   4.15652  0.117405  4.14854  0.122562  
1 1 1 45 7  19 o 3.78595  0.0922371 14.3584      0.69841  14.652       0.972026 14.045       1.00416  3.8215   0.127179  3.74081  0.134217  
1 1 1 45 7  20 o 3.31806  0.102516  11.0357      0.680309 12.0151      0.950584 10.0073      0.97405  3.45893  0.13741   3.15497  0.154368  
1 1 1 45 7  21 o 3.45263  0.107238  11.9564      0.740509 11.3167      0.990144 12.7683      1.1155   3.35459  0.147581  3.56197  0.156585  
1 1 1 45 7  22 o 2.25383  0.149229  5.11283      0.672673 5.91561      0.928116 4.22451      0.976319 2.4193   0.191815  2.03844  0.239477  
1 1 1 45 7  23 o 4.96012  0.0930054 24.6718      0.922636 25.3677      1.293    23.9499      1.31694  5.02297  0.128709  4.87927  0.134952  
1 1 1 45 7  24 o 4.56088  0.10333   20.8816      0.94255  21.4698      1.37748  20.3636      1.29251  4.61497  0.14924   4.49581  0.143746  
1 1 1 45 7  25 o 2.71761  0.141965  7.44284      0.771611 7.57282      1.01391  7.26396      1.18942  2.73376  0.185443  2.66969  0.222765  
1 1 1 45 7  26 o 0.628805 0.280405  -0.254877    0.71871  -0.14155     1.00371  -0.374127    1.0296   0.775688 0.339684  0.745262 0.333887  
1 1 1 45 7  27 o 2.46333  0.167365  6.15428      0.824552 6.38938      1.15276  5.90797      1.1799   2.49413  0.231094  2.394    0.246428  
1 1 1 45 7  28 o 2.54702  0.162672  6.58673      0.82866  6.86998      1.17658  6.30795      1.16728  2.58244  0.227804  2.47187  0.236112  
1 1 1 45 7  29 o 1.21809  0.327605  1.64013      0.815599 1.61632      1.13968  1.66511      1.16769  1.21801  0.40247   1.23398  0.407385  
1 1 1 45 7  30 o 1.18837  0.331066  1.57686      0.815695 2.197        1.15543  0.960725     1.15171  1.38107  0.397063  1.03615  0.396658  
1 1 1 45 7  31 o 0.820619 0.326252  0.4667       0.799684 0.280139     1.1232   0.658484     1.13881  0.87791  0.371159  0.960925 0.386568  
1 1 1 45 7  32 o 0.630302 0.28849   -0.450691    0.824577 -0.412683    1.16627  -0.48868     1.16598  0.768249 0.348958  0.757594 0.345395  
1 1 1 45 7  33 o 0.724703 0.313952  0.0706605    0.839283 0.275475     1.18846  -0.133102    1.1854   0.871954 0.37561   0.803204 0.359092  
1 1 1 45 7  34 o 0.801876 0.327861  0.442023     0.835598 0.22906      1.15876  0.672741     1.20609  0.846329 0.367801  0.940658 0.390374  
1 1 1 45 7  35 o 0.67713  0.304472  -0.137731    0.863301 -0.523069    1.19285  0.286098     1.25101  0.728119 0.338627  0.859614 0.377812  
1 1 1 45 7  36 o 0.791414 0.32895   0.482671     0.858489 1.39944      1.24409  -0.350703    1.18616  1.05132  0.410022  0.735404 0.340342  
1 1 1 45 7  37 o 0.712364 0.320446  0.0816487    0.957238 0.612466     1.39119  -0.395626    1.31916  0.876151 0.39043   0.735767 0.345945  
1 1 1 45 7  38 o 0.710723 0.326006  0.010074     1.05937  -0.0339926   1.52395  0.0512807    1.47367  0.791087 0.371919  0.792424 0.371172  
1 1 1 45 7  39 o 0.713587 0.333277  0.219317     1.17106  -1.26446     1.72146  1.49746      1.59773  0.673445 0.334354  0.894051 0.406722  
1 1 1 45 7  40 o 1.11182  0.413958  2.76717      1.23087  3.99953      1.80357  1.69278      1.684    1.10654  0.469195  0.841726 0.394714  
1 1 1 45 8  0  o 3.98144  0.117574  15.8995      0.934382 15.8995      0.934382 15.8995      0.934382 3.98444  0.0829923 ?        ?         
1 1 1 45 8  1  o 9.19586  0.0779248 84.5934      1.43317  83.968       1.92805  85.3656      2.1425   9.16049  0.105237  9.23578  0.115989  
1 1 1 45 8  2  o 8.9639   0.0787728 80.3804      1.41222  79.7718      1.98411  81.0054      2.01052  8.9283   0.111113  8.99703  0.111733  
1 1 1 45 8  3  o 13.7823  0.099873  190.063      2.75296  190.438      3.91152  189.696      3.87527  13.7917  0.141807  13.7649  0.140766  
1 1 1 45 8  4  o 3.8749   0.0792083 15.0206      0.613848 14.5939      0.880825 15.4234      0.855934 3.81864  0.115332  3.92584  0.109013  
1 1 1 45 8  5  o 6.72478  0.0682658 45.236       0.918145 44.6033      1.28254  45.901       1.31497  6.67661  0.0960474 6.773    0.0970745 
1 1 1 45 8  6  o 8.8754   0.0747526 78.8018      1.32692  78.1347      1.91262  79.421       1.84244  8.83592  0.10823   8.90866  0.103407  
1 1 1 45 8  7  o 3.65335  0.080419  13.353       0.587598 13.1676      0.802637 13.5671      0.862573 3.62715  0.110643  3.68157  0.117148  
1 1 1 45 8  8  o 1.92233  0.133067  3.70023      0.511597 3.57501      0.698086 3.8455       0.751924 1.88833  0.184842  1.95827  0.191987  
1 1 1 45 8  9  o 5.20192  0.070703  27.071       0.735583 25.8442      1.01145  28.4483      1.0717   5.08166  0.09952   5.33148  0.100507  
1 1 1 45 8  10 o 1.27048  0.199468  1.61998      0.506841 1.76641      0.721428 1.47726      0.712223 1.2989   0.285454  1.18751  0.299684  
1 1 1 45 8  11 o 5.97493  0.0713743 35.7186      0.852914 34.9782      1.2069   36.4572      1.2055   5.91109  0.102088  6.0349   0.0998774 
1 1 1 45 8  12 o 5.90351  0.0815175 34.8768      0.96248  34.5675      1.3923   35.1599      1.332    5.87491  0.118496  5.92549  0.112396  
1 1 1 45 8  13 o 1.47864  0.187561  2.19547      0.554672 1.89956      0.770973 2.51298      0.798607 1.34527  0.294622  1.57926  0.252842  
1 1 1 45 8  14 o 2.53844  0.116615  6.45527      0.592043 6.83183      0.845451 6.09293      0.829332 2.60926  0.16201   2.46378  0.168305  
1 1 1 45 8  15 f 4.84334  0.0809991 23.4801      0.784612 22.1645      1.08274  24.9349      1.13859  4.7034   0.115101  4.98878  0.114115  
1 1 1 45 8  16 o 5.26688  0.0775349 27.7664      0.816734 28.0247      1.17862  27.5277      1.13282  5.2886   0.11143   5.24181  0.108056  
1 1 1 45 8  17 o 1.33569  0.219889  1.7994       0.587409 1.86209      0.848388 1.74168      0.814115 1.32617  0.322517  1.28304  0.31837   
1 1 1 45 8  18 o 3.28101  0.100401  10.7865      0.658835 10.4276      0.887464 11.2271      0.983367 3.22316  0.13767   3.34357  0.147053  
1 1 1 45 8  19 o 1.18976  0.253559  1.48902      0.585455 1.44151      0.816602 1.53927      0.839803 1.17147  0.332846  1.20808  0.335716  
1 1 1 45 8  20 o 3.40548  0.10402   11.6274      0.708476 12.7463      0.98571  10.4316      1.01899  3.56203  0.138363  3.22015  0.158221  
1 1 1 45 8  21 o 8.15451  0.0873518 66.6368      1.42462  68.0854      2.0034   65.1549      2.02623  8.23466  0.121644  8.05436  0.125785  
1 1 1 45 8  22 o 4.5874   0.0916432 21.0981      0.840807 21.9733      1.13934  20.0514      1.24597  4.677    0.121802  4.46464  0.139537  
1 1 1 45 8  23 o 1.46494  0.23032   2.18521      0.674811 2.34116      0.974583 2.04159      0.935283 1.47356  0.337741  1.37479  0.341304  
1 1 1 45 8  24 o 5.34056  0.0950315 28.6137      1.01504  26.059       1.40158  31.4314      1.47198  5.0874   0.13775   5.58889  0.131688  
1 1 1 45 8  25 o 1.92277  0.200616  3.75619      0.771478 3.64345      1.05954  3.88339      1.12552  1.87923  0.281908  1.93831  0.290334  
1 1 1 45 8  26 o 5.23599  0.0969701 27.5383      1.01547  27.6923      1.40533  27.3702      1.46897  5.24004  0.134095  5.20714  0.141053  
1 1 1 45 8  27 o 0.949608 0.332145  0.874705     0.779568 0.639749     1.08012  1.13018      1.12628  0.958827 0.379805  1.09195  0.397478  
1 1 1 45 8  28 f 4.24569  0.112796  18.1619      0.957791 17.2773      1.3354   19.0991      1.37449  4.12461  0.161882  4.33803  0.158424  
1 1 1 45 8  29 o 0.661995 0.295662  -0.250301    0.801804 -0.941035    1.12369  0.466183     1.14444  0.692007 0.324133  0.929322 0.382453  
1 1 1 45 8  30 o 2.02202  0.207207  4.22081      0.837955 3.50495      1.16847  4.97879      1.20235  1.77242  0.341826  2.16947  0.277107  
1 1 1 45 8  31 o 1.82606  0.225867  3.47717      0.824893 4.05217      1.15388  2.87616      1.1797   1.94257  0.296998  1.5761   0.378454  
1 1 1 45 8  32 o 1.79763  0.239639  3.41335      0.861564 3.07186      1.20493  3.77058      1.23241  1.61614  0.378952  1.81314  0.352432  
1 1 1 45 8  33 o 1.28608  0.331429  1.9394       0.85761  1.27857      1.22273  2.57928      1.20319  1.08481  0.410616  1.44353  0.402063  
1 1 1 45 8  34 o 1.72571  0.246057  3.22628      0.849248 3.01529      1.18555  3.44864      1.21711  1.55955  0.382491  1.68057  0.371995  
1 1 1 45 8  35 o 0.669786 0.302579  -0.157423    0.862562 -1.28919     1.17561  1.16233      1.26949  0.63458  0.306527  1.01673  0.408507  
1 1 1 45 8  36 o 1.00631  0.356501  1.27183      0.900619 0.406935     1.27845  2.12392      1.26894  0.861433 0.380057  1.21979  0.424036  
1 1 1 45 8  37 o 1.00092  0.36539   1.39969      0.952367 1.64605      1.44946  1.21253      1.26334  1.03757  0.429108  0.955352 0.398191  
1 1 1 45 8  38 o 1.01927  0.39681   1.70693      1.16412  2.92128      1.67013  0.55945      1.6235   1.18707  0.47163   0.847218 0.394416  
1 1 1 45 8  39 o 0.922913 0.380346  1.53041      1.13343  0.0147558    1.58765  3.1058       1.61863  0.740279 0.357279  1.12628  0.45771   
1 1 1 45 8  40 o 0.763346 0.352327  1.05299      1.26019  -0.461827    1.79828  2.51472      1.76649  0.66657  0.332416  0.881677 0.410829  
1 1 1 45 9  0  o 13.7137  0.141433  188.241      3.8782   188.241      3.8782   188.241      3.8782   13.7169  0.0999729 ?        ?         
1 1 1 45 9  1  o 4.68645  0.0729131 21.97        0.683407 23.4327      1.00734  20.7228      0.930228 4.8391   0.104083  4.55074  0.102206  
1 1 1 45 9  2  o 13.993   0.108621  195.948      3.03988  198.016      4.45415  194.146      4.15908  14.0607  0.15839   13.9238  0.149351  
1 1 1 45 9  3  o 10.6793  0.0841053 114.1        1.79638  115.551      2.60606  112.785      2.47958  10.7444  0.121276  10.6154  0.116792  
1 1 1 45 9  4  o 5.29743  0.071166  28.0721      0.753994 28.3905      1.05768  27.7431      1.07515  5.32652  0.0992846 5.26534  0.102097  
1 1 1 45 9  5  o 2.96051  0.0903819 8.76949      0.535152 8.74318      0.748252 8.79704      0.765688 2.95525  0.126597  2.96427  0.129153  
1 1 1 45 9  6  o 8.862    0.0741358 78.5661      1.31398  76.791       1.85974  80.3355      1.85677  8.75946  0.106156  8.95951  0.10362   
1 1 1 45 9  7  o 12.4433  0.0939443 154.94       2.33796  152.719      3.31667  157.134      3.29616  12.3494  0.134285  12.5269  0.131563  
1 1 1 45 9  8  f 4.62537  0.0715325 21.4031      0.661728 21.5299      0.931004 21.2735      0.940722 4.63809  0.100365  4.61033  0.102023  
1 1 1 45 9  9  o 8.25477  0.0770293 68.178       1.27172  68.7002      1.74665  67.5889      1.85522  8.28436  0.105419  8.21647  0.112896  
1 1 1 45 9  10 f 4.13947  0.0780402 17.1459      0.64609  18.4486      0.922301 15.8906      0.905354 4.29267  0.107427  3.98369  0.113632  
1 1 1 45 9  11 o 3.84241  0.0823838 14.775       0.633105 14.7763      0.903683 14.7738      0.887235 3.84112  0.117633  3.8409   0.115498  
1 1 1 45 9  12 f 1.05764  0.254499  1.17221      0.532609 1.81529      0.765022 0.56733      0.741952 1.3148   0.29779   0.860201 0.321171  
1 1 1 45 9  13 o 2.96993  0.101379  8.83208      0.60218  8.25723      0.834995 9.45508      0.869259 2.86966  0.145487  3.07098  0.141528  
1 1 1 45 9  14 o 3.986    0.0867058 15.905       0.691219 15.0192      0.957947 16.8671      0.998369 3.87129  0.123725  4.10268  0.121673  
1 1 1 45 9  15 o 3.3403   0.0940096 11.1725      0.62804  11.8783      0.896606 10.4926      0.879993 3.44202  0.130244  3.23465  0.136026  
1 1 1 45 9  16 o 3.96203  0.0890795 15.7188      0.705872 16.3566      0.985142 15.0459      1.0119   4.0392   0.121947  3.87327  0.130627  
1 1 1 45 9  17 o 5.37315  0.0805837 28.906       0.865976 28.8721      1.20843  28.9419      1.2416   5.36687  0.112582  5.37301  0.11554   
1 1 1 45 9  18 o 2.64692  0.121491  7.02739      0.643156 6.93253      0.921722 7.1174       0.897865 2.62473  0.175584  2.66013  0.168763  
1 1 1 45 9  19 o 2.49611  0.126166  6.25288      0.629849 5.72268      0.862444 6.85887      0.922021 2.38349  0.180921  2.60984  0.176644  
1 1 1 45 9  20 o 2.61005  0.126531  6.84041      0.660506 6.63407      0.906201 7.07427      0.964737 2.56545  0.176617  2.64853  0.182127  
1 1 1 45 9  21 o 4.90174  0.0883581 24.0813      0.866217 24.2546      1.19934  23.8923      1.25241  4.9144   0.122024  4.87645  0.128414  
1 1 1 45 9  22 o 2.68842  0.132268  7.26788      0.711187 6.97393      0.983059 7.59066      1.03013  2.62605  0.187175  2.73957  0.18801   
1 1 1 45 9  23 o 5.00955  0.0930214 25.174       0.931991 24.4642      1.29478  25.9373      1.34258  4.93073  0.131297  5.07678  0.132228  
1 1 1 45 9  24 o 0.605858 0.275241  -0.401325    0.726223 -1.10058     0.943944 0.612861     1.1368   0.606701 0.287938  0.979612 0.389137  
1 1 1 45 9  25 o 3.64882  0.116479  13.3867      0.850024 13.6068      1.1365   13.1071      1.28059  3.67089  0.154799  3.59725  0.177996  
1 1 1 45 9  26 o 1.86834  0.207177  3.56581      0.774156 2.50593      1.06249  4.76529      1.1303   1.50759  0.357368  2.14614  0.263333  
1 1 1 45 9  27 o 1.35669  0.300273  2.00338      0.793096 2.05209      1.10352  1.95133      1.14062  1.35499  0.387545  1.32434  0.398394  
1 1 1 45 9  28 o 1.6577   0.239241  2.84434      0.793178 2.79317      1.11378  2.89698      1.12984  1.58143  0.360095  1.61107  0.359826  
1 1 1 45 9  29 o 2.86101  0.151393  8.31722      0.866275 8.09203      1.22108  8.54539      1.22916  2.79829  0.218183  2.87755  0.213577  
1 1 1 45 9  30 o 1.70463  0.242917  3.03641      0.828168 4.17011      1.1748   1.91648      1.16764  1.97658  0.29718   1.29449  0.405894  
1 1 1 45 9  31 o 1.92783  0.21492   3.86704      0.828659 4.8806       1.18079  2.88343      1.16321  2.13905  0.276007  1.57683  0.374015  
1 1 1 45 9  32 o 0.530631 0.256021  -1.11078     0.813767 -1.84842     1.12622  -0.304893    1.17716  0.5879   0.287453  0.780062 0.352878  
1 1 1 45 9  33 o 0.544369 0.261676  -1.03076     0.830869 -1.39377     1.17765  -0.670966    1.17242  0.642097 0.309355  0.720088 0.335209  
1 1 1 45 9  34 f 1.71319  0.251748  3.20871      0.862586 3.21535      1.21113  3.20187      1.22883  1.6042   0.382364  1.59551  0.388234  
1 1 1 45 9  35 o 1.89782  0.237053  3.97188      0.899768 4.07948      1.23471  3.85003      1.3139   1.80817  0.354052  1.71533  0.391471  
1 1 1 45 9  36 o 0.662247 0.301502  -0.157995    0.881705 -0.474167    1.24549  0.159632     1.24835  0.723718 0.339391  0.806548 0.364204  
1 1 1 45 9  37 o 0.757558 0.333409  0.366938     0.976932 -1.70611     1.50107  1.89024      1.28674  0.656196 0.323197  1.08781  0.418481  
1 1 1 45 9  38 o 0.857527 0.371203  1.05666      1.17157  0.101516     1.6787   1.96365      1.63583  0.783895 0.37563   0.990137 0.433623  
1 1 1 45 9  39 o 0.886071 0.375477  1.32553      1.15384  1.63557      1.69349  1.05689      1.57636  0.910496 0.415414  0.84542  0.391674  
1 1 1 45 10 0  o 5.09894  0.0986375 26.0368      1.00504  26.0368      1.00504  26.0368      1.00504  5.10078  0.0696926 ?        ?         
1 1 1 45 10 1  o 15.1929  0.108636  231.007      3.30097  229.962      4.65132  232.066      4.68543  15.1524  0.153485  15.2215  0.153909  
1 1 1 45 10 2  f 9.7283   0.0796922 94.6806      1.55054  97.0237      2.26757  92.6229      2.12496  9.84557  0.115157  9.62004  0.110444  
1 1 1 45 10 3  o 15.3601  0.11215   236.139      3.44527  230.633      4.7805   242.09       4.96969  15.1734  0.157529  15.5453  0.159846  
1 1 1 45 10 4  o 3.31505  0.090529  10.996       0.600217 10.5763      0.836883 11.4406      0.861313 3.25017  0.128744  3.3804   0.127398  
1 1 1 45 10 5  o 4.39322  0.0720434 19.3079      0.633005 19.6517      0.929788 19.0109      0.864213 4.43118  0.104914  4.35852  0.0991406 
1 1 1 45 10 6  o 1.21143  0.201026  1.47224      0.487058 1.46436      0.700238 1.47961      0.677914 1.18283  0.29634   1.18877  0.287799  
1 1 1 45 10 7  o 6.11687  0.0713062 37.4322      0.872342 37.6289      1.27882  37.2611      1.193    6.1314   0.104285  6.1017   0.0977596 
1 1 1 45 10 8  o 1.09439  0.22594   1.24791      0.477665 1.05697      0.669769 1.44555      0.681423 1.01862  0.305055  1.17454  0.291165  
1 1 1 45 10 9  o 9.1837   0.0809727 84.3972      1.48726  81.6019      2.07823  87.3316      2.1293   9.02728  0.115108  9.33895  0.114001  
1 1 1 45 10 10 f 3.19894  0.0901491 10.2422      0.576764 10.071       0.803581 10.4242      0.828315 3.17074  0.126718  3.22579  0.12839   
1 1 1 45 10 11 o 1.91632  0.141467  3.68065      0.542192 3.74757      0.755992 3.60977      0.778033 1.93163  0.195688  1.89537  0.205246  
1 1 1 45 10 12 o 6.51241  0.0762503 42.4423      0.993146 41.6331      1.34742  43.4048      1.46955  6.44796  0.104484  6.5831   0.111615  
1 1 1 45 10 13 o 1.98504  0.140333  3.95107      0.557135 3.87877      0.78071  4.02609      0.795308 1.96412  0.198743  2.00107  0.19872   
1 1 1 45 10 14 o 2.4657   0.120592  6.09272      0.594684 5.90342      0.857049 6.26848      0.825839 2.42405  0.17678   2.49861  0.16526   
1 1 1 45 10 15 o 1.77491  0.162353  3.16379      0.576322 3.40422      0.822849 2.93228      0.807453 1.83751  0.223903  1.70457  0.23685   
1 1 1 45 10 16 o 5.58491  0.0767817 31.2245      0.857637 32.7127      1.24236  29.8696      1.18541  5.71337  0.108724  5.45947  0.108565  
1 1 1 45 10 17 f 4.14026  0.0876225 17.1679      0.72556  16.5943      1.01854  17.7589      1.03382  4.06729  0.125212  4.20783  0.122845  
1 1 1 45 10 18 o 6.31223  0.0817366 39.9011      1.03188  39.9749      1.44333  39.8239      1.47582  6.31384  0.114298  6.30148  0.117101  
1 1 1 45 10 19 o 3.10335  0.105696  9.65656      0.656022 10.1335      0.912749 9.14694      0.943526 3.17546  0.143719  3.01556  0.156443  
1 1 1 45 10 20 o 2.90932  0.116321  8.49578      0.676831 8.27438      0.904988 8.77681      1.01959  2.86677  0.157841  2.95054  0.172781  
1 1 1 45 10 21 o 3.76939  0.0995219 14.2508      0.750273 14.1986      1.07052  14.3012      1.05182  3.75662  0.142485  3.77065  0.139474  
1 1 1 45 10 22 o 1.36324  0.2525    1.95574      0.662566 1.91787      0.924633 1.99571      0.949899 1.33321  0.344422  1.35922  0.347941  
1 1 1 45 10 23 o 4.91073  0.0955957 24.1943      0.938889 23.824       1.32919  24.563       1.32639  4.86459  0.136619  4.94003  0.13425   
1 1 1 45 10 24 o 2.06003  0.184271  4.3006       0.759207 5.04839      1.0116   3.33621      1.1488   2.22428  0.227399  1.76114  0.338219  
1 1 1 45 10 25 o 3.17807  0.124447  10.1692      0.791006 10.5514      1.11235  9.77826      1.12506  3.22711  0.172344  3.10451  0.181198  
1 1 1 45 10 26 o 2.63328  0.148787  7.01235      0.783593 7.50606      1.07644  6.45581      1.14288  2.71261  0.198414  2.50783  0.227862  
1 1 1 45 10 27 o 1.35116  0.296463  1.98668      0.779297 1.32241      1.09055  2.67982      1.114    1.13428  0.393218  1.54977  0.365009  
1 1 1 45 10 28 o 2.01912  0.205927  4.18697      0.831585 3.80478      1.19483  4.54603      1.15811  1.86232  0.332792  2.08101  0.278256  
1 1 1 45 10 29 o 0.473312 0.233105  -1.6063      0.788004 -1.37539     1.0914   -1.85776     1.13894  0.627988 0.301393  0.600594 0.292744  
1 1 1 45 10 30 f 1.49316  0.297209  2.44943      0.856068 1.44378      1.19093  3.5246       1.23141  1.16234  0.410137  1.76538  0.361229  
1 1 1 45 10 31 o 1.90274  0.228251  3.78725      0.868605 4.02285      1.25062  3.56768      1.20731  1.88745  0.344043  1.77003  0.353552  
1 1 1 45 10 32 o 0.880924 0.334395  0.725827     0.81285  -0.495673    1.1457   1.96387      1.15343  0.738883 0.338967  1.2719   0.404083  
1 1 1 45 10 33 o 1.63497  0.259242  2.90294      0.847707 3.95366      1.19982  1.85565      1.19786  1.83915  0.338897  1.22515  0.412614  
1 1 1 45 10 34 o 1.82478  0.239968  3.62884      0.875776 3.16674      1.19587  4.16331      1.28611  1.58306  0.381615  1.84364  0.36169   
1 1 1 45 10 35 o 0.925702 0.344566  0.987996     0.852674 0.610748     1.18533  1.39257      1.2275   0.886523 0.378284  1.05278  0.407959  
1 1 1 45 10 36 o 0.828999 0.343929  0.668423     0.93573  -0.121945    1.38018  1.34076      1.27296  0.787224 0.365395  1.00218  0.406408  
1 1 1 45 10 37 o 1.06943  0.370179  1.67678      0.966194 2.7865       1.40012  0.667854     1.33502  1.27232  0.445115  0.857771 0.382347  
1 1 1 45 10 38 o 1.14915  0.401379  2.38697      1.1381   1.90931      1.61809  2.85465      1.60109  0.964612 0.426317  1.11729  0.454831  
1 1 1 45 10 39 o 0.579283 0.284609  -0.970255    1.13237  -2.58056     1.6317   0.525813     1.57276  0.584731 0.294951  0.772595 0.368616  
1 1 1 45 11 0  o 15.7186  0.16631   247.406      5.22699  247.406      5.22699  247.406      5.22699  15.7238  0.117545  ?        ?         
1 1 1 45 11 1  o 9.68989  0.0780307 93.9359      1.51222  93.8206      2.13836  94.0514      2.13883  9.68172  0.110433  9.69362  0.110322  
1 1 1 45 11 2  o 2.92918  0.0922008 8.58556      0.540146 7.9508       0.768959 9.20383      0.758904 2.81774  0.13645   3.03199  0.125149  
1 1 1 45 11 3  o 4.50042  0.0719508 20.2618      0.647618 20.5861      0.927109 19.9528      0.90503  4.53536  0.102209  4.46508  0.101345  
1 1 1 45 11 4  o 4.41945  0.0742116 19.54        0.655948 19.4339      0.928099 19.6459      0.927204 4.40645  0.105312  4.43043  0.10464   
1 1 1 45 11 5  o 8.11078  0.074896  65.8154      1.21493  65.1764      1.74625  66.4148      1.69141  8.06925  0.108204  8.14586  0.10382   
1 1 1 45 11 6  o 4.46219  0.0730127 19.9206      0.651594 19.6706      0.954901 20.1383      0.891362 4.43288  0.107707  4.48561  0.0993579 
1 1 1 45 11 7  o 4.29702  0.0722505 18.4736      0.620923 18.6331      0.909098 18.3341      0.850102 4.31432  0.105358  4.27982  0.0993152 
1 1 1 45 11 8  o 5.27168  0.0694582 27.8045      0.732323 27.4162      1.03579  28.1927      1.03553  5.23341  0.0989594 5.30708  0.0975613 
1 1 1 45 11 9  o 8.70476  0.0796687 75.825       1.38699  73.9619      1.90565  77.9237      2.02258  8.5944   0.110866  8.82118  0.114643  
1 1 1 45 11 10 f 1.86044  0.139987  3.46897      0.520875 3.94254      0.729391 2.97613      0.744085 1.98175  0.184027  1.72055  0.216235  
1 1 1 45 11 11 o 5.92664  0.0709218 35.1469      0.840656 34.4473      1.19322  35.8365      1.18456  5.86542  0.101716  5.98273  0.0989987 
1 1 1 45 11 12 o 4.69419  0.0764083 22.0529      0.71735  22.9227      1.02695  21.2241      1.00246  4.78402  0.107332  4.60325  0.108886  
1 1 1 45 11 13 o 7.26878  0.0836915 52.8889      1.21667  52.9749      1.64894  52.7861      1.80257  7.27156  0.113383  7.25722  0.124191  
1 1 1 45 11 14 o 0.700902 0.275543  0.289782     0.564518 0.17713      0.806926 0.397769     0.790041 0.774533 0.320237  0.825104 0.32546   
1 1 1 45 11 15 o 3.5719   0.0972117 12.7796      0.69446  12.1555      0.927485 13.5759      1.0477   3.48103  0.13322   3.67798  0.142428  
1 1 1 45 11 16 o 1.2012   0.248479  1.5132       0.576714 1.09734      0.842369 1.88009      0.791224 1.05481  0.346013  1.33355  0.303406  
1 1 1 45 11 17 o 2.51469  0.12264   6.34334      0.616801 5.67857      0.847308 7.09271      0.899617 2.37522  0.178364  2.65539  0.169395  
1 1 1 45 11 18 o 3.19571  0.105593  10.2384      0.674886 10.1064      0.970302 10.3622      0.939319 3.17067  0.153012  3.21126  0.146254  
1 1 1 45 11 19 o 3.83624  0.0944436 14.7506      0.724617 13.5073      0.97552  16.2811      1.0823   3.6669   0.133017  4.02565  0.134426  
1 1 1 45 11 20 o 1.33251  0.239073  1.858        0.614018 1.5098       0.843016 2.25146      0.896122 1.19277  0.337958  1.45257  0.317221  
1 1 1 45 11 21 o 2.47377  0.13664   6.15565      0.67603  6.55461      0.949529 5.74553      0.962708 2.5461   0.186467  2.3815   0.202122  
1 1 1 45 11 22 o 2.2037   0.153271  4.89737      0.675526 5.90704      0.960331 3.90843      0.950421 2.41322  0.198973  1.9562   0.242926  
1 1 1 45 11 23 o 4.65451  0.100481  21.7445      0.935381 21.1792      1.2149   22.5674      1.46581  4.58727  0.13242   4.72962  0.154961  
1 1 1 45 11 24 o 4.21648  0.107313  17.8606      0.904968 18.69        1.22394  16.8604      1.34412  4.30569  0.142131  4.08391  0.164563  
1 1 1 45 11 25 o 1.51772  0.231874  2.365        0.703842 2.21203      0.964132 2.53954      1.02988  1.41976  0.342903  1.52171  0.34611   
1 1 1 45 11 26 o 3.1632   0.133527  10.1026      0.844747 10.1542      1.14174  10.0401      1.25568  3.15861  0.180734  3.13457  0.200295  
1 1 1 45 11 27 o 2.47889  0.163107  6.24255      0.808648 7.27294      1.13884  5.19476      1.14842  2.66058  0.214021  2.23544  0.256866  
1 1 1 45 11 28 o 4.14319  0.117326  17.3237      0.972212 17.9973      1.35581  16.6108      1.39485  4.20595  0.161177  4.03553  0.172822  
1 1 1 45 11 29 o 1.97172  0.212822  4.02034      0.83925  3.98295      1.17401  4.05942      1.20018  1.92961  0.304209  1.94632  0.308319  
1 1 1 45 11 30 o 2.77138  0.161639  7.84756      0.895923 7.85126      1.29087  7.84412      1.24446  2.73955  0.235598  2.74271  0.226867  
1 1 1 45 11 31 f 2.30401  0.191086  5.49507      0.880528 6.08412      1.25804  4.92937      1.23285  2.38838  0.263367  2.1365   0.288521  
1 1 1 45 11 32 o 1.2606   0.323424  1.85004      0.819375 2.22488      1.15859  1.47495      1.15896  1.34463  0.400919  1.1304   0.404014  
1 1 1 45 11 33 o 2.41872  0.181541  6.10905      0.87819  7.49584      1.25188  4.76541      1.23225  2.63958  0.237136  2.06237  0.298746  
1 1 1 45 11 34 o 2.07991  0.216255  4.66264      0.899584 4.30955      1.22864  5.07065      1.32076  1.8885   0.337466  2.0831   0.317018  
1 1 1 45 11 35 o 0.66657  0.300711  -0.110929    0.849041 -1.00499     1.15716  0.931703     1.24961  0.65074  0.311835  0.952578 0.396463  
1 1 1 45 11 36 o 0.882353 0.348168  0.942353     0.904439 0.445683     1.39612  1.30153      1.18725  0.851214 0.384723  0.979192 0.394378  
1 1 1 45 11 37 o 0.738665 0.328009  0.308495     0.973256 1.62013      1.43072  -0.821251    1.32782  1.00792  0.422154  0.678021 0.32711   
1 1 1 45 11 38 o 0.590597 0.286597  -0.722854    1.06377  -0.107611    1.49735  -1.34981     1.51154  0.722892 0.348415  0.635188 0.315036  
1 1 1 45 11 39 o 0.672642 0.317658  0.184726     1.13614  -1.77359     1.64494  1.97116      1.5711   0.603928 0.303888  0.886214 0.4032    
1 1 1 45 12 0  o 2.22401  0.183083  5.05259      0.801661 5.05259      0.801661 5.05259      0.801661 2.23619  0.127699  ?        ?         
1 1 1 45 12 1  o 11.677   0.0880608 136.438      2.05657  136.235      2.97111  136.625      2.84955  11.6642  0.12736   11.6815  0.121968  
1 1 1 45 12 2  o 5.7718   0.0684378 33.3267      0.790019 34.5459      1.13584  32.1841      1.09955  5.87528  0.0966628 5.67088  0.0969474 
1 1 1 45 12 3  o 12.9011  0.0971949 166.573      2.50785  164.694      3.52281  168.504      3.57094  12.8229  0.137364  12.9704  0.137657  
1 1 1 45 12 4  o 2.84521  0.0912182 8.10122      0.51907  8.2804       0.702394 7.88563      0.770473 2.87566  0.122128  2.80578  0.137301  
1 1 1 45 12 5  o 7.63041  0.073483  58.2527      1.12141  58.6106      1.57384  57.8837      1.59827  7.65196  0.102839  7.6042   0.105091  
1 1 1 45 12 6  o 5.73404  0.0678899 32.8945      0.778567 31.578       1.10298  34.2019      1.09915  5.61672  0.0981868 5.84566  0.0940145 
1 1 1 45 12 7  o 10.055   0.0826736 101.176      1.66257  100.928      2.41443  101.399      2.29274  10.0387  0.120256  10.0629  0.113921  
1 1 1 45 12 8  o 7.14336  0.075915  51.0597      1.08458  49.2416      1.4979   53.0634      1.57246  7.01286  0.106796  7.27982  0.108001  
1 1 1 45 12 9  o 2.46419  0.105469  6.07995      0.51979  6.00971      0.728145 6.15295      0.742246 2.44836  0.148701  2.47732  0.149808  
1 1 1 45 12 10 o 7.56446  0.0752005 57.261       1.1377   56.4307      1.6081   58.0931      1.60981  7.5067   0.107111  7.61661  0.105677  
1 1 1 45 12 11 o 4.90764  0.071955  24.1018      0.706258 22.9168      0.992678 25.3164      1.00504  4.78367  0.103757  5.02815  0.099941  
1 1 1 45 12 12 o 8.9607   0.0834651 80.3745      1.49581  81.9595      2.21585  79.0475      2.02748  9.04335  0.122513  8.88251  0.114127  
1 1 1 45 12 13 o 4.49853  0.0802416 20.2568      0.721938 19.4313      0.985744 21.212       1.06028  4.40379  0.11192   4.60089  0.115225  
1 1 1 45 12 14 o 1.5504   0.181962  2.41726      0.564227 2.07338      0.818528 2.72858      0.778825 1.40266  0.300476  1.64396  0.236874  
1 1 1 45 12 15 o 3.23183  0.103319  10.4655      0.667816 10.2394      0.901241 10.7408      0.994501 3.19397  0.141085  3.27026  0.152052  
1 1 1 45 12 16 o 4.1808   0.0880724 17.5065      0.736426 18.6717      1.02508  16.2637      1.05865  4.31495  0.118783  4.02583  0.131483  
1 1 1 45 12 17 o 4.59665  0.0837592 21.1614      0.770024 21.7963      1.08122  20.508       1.09691  4.66189  0.115964  4.5214   0.121302  
1 1 1 45 12 18 o 4.06286  0.0891551 16.5388      0.72445  16.3234      1.00319  16.7736      1.04728  4.03264  0.124384  4.08741  0.128111  
1 1 1 45 12 19 o 3.53304  0.101858  12.5183      0.719733 13.2175      1.01666  11.8158      1.01906  3.6258   0.140198  3.42701  0.14868   
1 1 1 45 12 20 o 3.21507  0.108112  10.3732      0.695178 9.53718      0.955135 11.3149      1.01374  3.07707  0.155202  3.35223  0.151204  
1 1 1 45 12 21 o 3.32408  0.105839  11.091       0.703632 11.5492      0.98054  10.6045      1.0103   3.3864   0.144776  3.24315  0.155759  
1 1 1 45 12 22 f 1.07878  0.294597  1.23934      0.653339 0.428626     0.915371 2.08121      0.932796 0.868252 0.347699  1.38732  0.338675  
1 1 1 45 12 23 o 5.89899  0.0983145 34.9288      1.15991  36.3685      1.60653  33.361       1.67643  6.00978  0.13366   5.75218  0.145721  
1 1 1 45 12 24 o 1.76309  0.20643   3.16434      0.727907 3.95161      0.996505 2.26373      1.06582  1.96113  0.254064  1.43656  0.369047  
1 1 1 45 12 25 o 1.07925  0.312487  1.25209      0.713158 1.30227      0.969815 1.19299      1.05235  1.11906  0.371266  1.09792  0.385725  
1 1 1 45 12 26 o 1.7181   0.235249  3.04539      0.808366 3.41129      1.08811  2.5947       1.20761  1.77292  0.31844   1.51628  0.394504  
1 1 1 45 12 27 o 2.24223  0.176293  5.12433      0.790582 3.89744      1.08893  6.49183      1.14964  1.92668  0.282593  2.50704  0.229282  
1 1 1 45 12 28 o 0.675294 0.297641  -0.130574    0.781481 -0.00365539  1.07732  -0.271527    1.13532  0.81375  0.354157  0.788552 0.352012  
1 1 1 45 12 29 o 1.94742  0.217853  3.92973      0.848502 4.4719       1.1824   3.3541       1.21834  2.05059  0.288306  1.71916  0.365332  
1 1 1 45 12 30 o 2.65488  0.163823  7.21421      0.869861 7.42732      1.23284  7.00293      1.22751  2.6636   0.231424  2.58326  0.23759   
1 1 1 45 12 31 o 1.03862  0.347809  1.19931      0.851135 -0.483101    1.19929  2.90661      1.20813  0.762848 0.348639  1.55837  0.388533  
1 1 1 45 12 32 o 0.712449 0.31168   0.017101     0.843293 0.381019     1.21732  -0.318688    1.16932  0.893282 0.382329  0.766797 0.348595  
1 1 1 45 12 33 o 1.25521  0.341817  1.90612      0.881087 3.16322      1.19656  0.417179     1.30223  1.59541  0.379923  0.904884 0.391525  
1 1 1 45 12 34 o 1.42726  0.308655  2.44848      0.856117 1.40464      1.19786  3.53843      1.22403  1.05972  0.404862  1.65822  0.377441  
1 1 1 45 12 35 o 0.627341 0.28992   -0.343991    0.856797 -0.581724    1.20613  -0.101816    1.21734  0.705189 0.331342  0.768819 0.35132   
1 1 1 45 12 36 o 0.698777 0.313633  0.113664     0.912151 -0.323874    1.39712  0.43872      1.20422  0.750542 0.353803  0.81197  0.3625    
1 1 1 45 12 37 o 0.858455 0.353875  0.999178     0.981408 1.27729      1.43379  0.754013     1.34619  0.920303 0.40448   0.839686 0.378738  
1 1 1 45 12 38 o 0.739916 0.336872  0.490109     1.10086  1.9847       1.63041  -0.762211    1.49243  0.950871 0.423227  0.670289 0.328492  
1 1 1 45 12 39 o 0.704439 0.330174  0.59369      1.17306  -0.163794    1.55936  1.58121      1.78047  0.664533 0.327272  0.796364 0.38287   
1 1 1 45 13 0  o 8.11097  0.106179  65.8557      1.72177  65.8557      1.72177  65.8557      1.72177  8.11306  0.0750462 ?        ?         
1 1 1 45 13 1  o 1.10298  0.235909  1.27017      0.50525  1.23076      0.73363  1.30573      0.696849 1.09328  0.317067  1.11945  0.303603  
1 1 1 45 13 2  o 11.7276  0.0898843 137.642      2.10826  135.855      2.87079  139.735      3.10616  11.6473  0.123238  11.8114  0.131491  
1 1 1 45 13 3  o 5.05502  0.0712144 25.5659      0.719981 25.0545      0.984184 26.1546      1.05602  5.0031   0.0983575 5.11152  0.103298  
1 1 1 45 13 4  o 11.8181  0.0925976 139.79       2.18866  138.977      3.11448  140.583      3.07633  11.7784  0.132211  11.8467  0.129839  
1 1 1 45 13 5  o 7.271    0.0707289 52.8952      1.02854  51.9855      1.40594  53.9425      1.50863  7.20654  0.0975465 7.34053  0.10276   
1 1 1 45 13 6  o 4.37873  0.0723745 19.1841      0.633817 18.3585      0.899945 19.9967      0.892804 4.28214  0.105081  4.46938  0.0998802 
1 1 1 45 13 7  o 9.04055  0.0781197 81.787       1.41249  81.5311      1.99367  82.045       2.00147  9.02332  0.110473  9.0517   0.110558  
1 1 1 45 13 8  o 3.43903  0.0813793 11.8361      0.559732 11.5444      0.788615 12.1321      0.79458  3.39503  0.116143  3.48046  0.114149  
1 1 1 45 13 9  o 4.35152  0.0764206 18.9495      0.665091 20.2691      0.984065 17.8399      0.902395 4.49875  0.109371  4.22071  0.106901  
1 1 1 45 13 10 o 2.54863  0.105613  6.50532      0.538338 6.16806      0.791511 6.79562      0.734348 2.47929  0.159625  2.60334  0.14104   
1 1 1 45 13 11 o 3.15421  0.0892229 9.96038      0.562856 9.98489      0.815105 9.93805      0.778175 3.1561   0.129132  3.14901  0.123559  
1 1 1 45 13 12 o 7.27916  0.0845439 53.0439      1.23082  55.3872      1.86426  51.2332      1.63875  7.43326  0.1254    7.15051  0.11459   
1 1 1 45 13 13 o 7.50893  0.0812983 56.4461      1.22093  57.0018      1.74854  55.9174      1.70556  7.54145  0.115929  7.46962  0.114166  
1 1 1 45 13 14 o 3.54906  0.0950662 12.6166      0.674791 13.0489      0.978134 12.224       0.932123 3.60626  0.135616  3.49059  0.133519  
1 1 1 45 13 15 o 0.85558  0.283063  0.709575     0.563748 0.396058     0.796854 1.02373      0.797667 0.825554 0.326472  1.02139  0.336707  
1 1 1 45 13 16 o 3.80267  0.0931981 14.4868      0.708803 15.8129      1.00822  13.1908      0.99668  3.96986  0.126984  3.62475  0.137482  
1 1 1 45 13 17 o 4.39184  0.0933265 19.3274      0.81975  19.8883      1.0583   18.4861      1.29612  4.45233  0.118848  4.28818  0.151127  
1 1 1 45 13 18 f 5.55561  0.0846088 30.9231      0.940107 29.9957      1.25121  32.1253      1.42464  5.46747  0.114423  5.65619  0.125936  
1 1 1 45 13 19 o 0.834163 0.296102  0.623112     0.621577 -0.00394629  0.896851 1.20273      0.862255 0.765358 0.327892  1.08747  0.349771  
1 1 1 45 13 20 o 2.28752  0.138577  5.26465      0.633997 5.58534      0.854365 4.87164      0.945806 2.35092  0.181709  2.19087  0.215851  
1 1 1 45 13 21 o 1.17094  0.274868  1.4627       0.633374 1.82313      0.86847  1.05318      0.925722 1.29989  0.332658  1.0451   0.362287  
1 1 1 45 13 22 o 3.72301  0.108108  13.9196      0.804971 14.8077      1.06507  12.7365      1.22931  3.83455  0.138879  3.54937  0.173173  
1 1 1 45 13 23 o 3.70627  0.109231  13.8018      0.809676 14.914       1.12417  12.603       1.16714  3.84541  0.146171  3.53077  0.165282  
1 1 1 45 13 24 o 2.18939  0.164446  4.85578      0.720074 4.05844      0.987293 5.76195      1.05251  1.98539  0.248639  2.37263  0.221802  
1 1 1 45 13 25 o 3.01371  0.128288  9.16131      0.773243 8.72269      1.06118  9.65781      1.12903  2.92809  0.181208  3.08045  0.183257  
1 1 1 45 13 26 o 3.55904  0.122163  12.7779      0.869568 13.0454      1.19343  12.4751      1.26961  3.58272  0.166554  3.49827  0.181463  
1 1 1 45 13 27 o 2.45499  0.161822  6.12933      0.794544 5.82791      1.08436  6.47876      1.16755  2.37405  0.228378  2.50128  0.233391  
1 1 1 45 13 28 o 1.19598  0.317715  1.5927       0.773024 2.46111      1.06583  0.628927     1.12283  1.47064  0.363887  0.952875 0.383633  
1 1 1 45 13 29 o 1.405    0.301383  2.18348      0.822445 1.17402      1.13473  3.30068      1.19374  1.08409  0.398539  1.70581  0.360986  
1 1 1 45 13 30 o 0.768593 0.318349  0.281709     0.799671 0.579812     1.10236  -0.0494053   1.16179  0.926827 0.377367  0.824364 0.363184  
1 1 1 45 13 31 o 1.33564  0.315786  2.05148      0.831305 1.73222      1.15179  2.39864      1.20104  1.20533  0.404601  1.39729  0.405834  
1 1 1 45 13 32 o 0.601092 0.281307  -0.61562     0.839703 -1.20364     1.14822  0.06041      1.23115  0.64975  0.311184  0.840033 0.371485  
1 1 1 45 13 33 o 0.591249 0.279029  -0.743288    0.873757 -0.279877    1.18417  -1.29711     1.29455  0.761843 0.347533  0.679147 0.326504  
1 1 1 45 13 34 o 1.70832  0.265277  3.30148      0.906356 2.81594      1.22018  3.89914      1.35376  1.439    0.406227  1.71171  0.401878  
1 1 1 45 13 35 o 1.72713  0.271486  3.48531      0.937786 2.92725      1.40363  3.93526      1.26036  1.36971  0.446651  1.70635  0.379266  
1 1 1 45 13 36 o 1.02217  0.369495  1.50843      0.971798 2.73817      1.39669  0.354393     1.35301  1.26575  0.444403  0.819141 0.373081  
1 1 1 45 13 37 o 0.651487 0.305596  -0.140094    1.01217  -0.528219    1.59035  0.124158     1.31225  0.71826  0.349135  0.737599 0.346344  
1 1 1 45 13 38 o 0.66483  0.313663  -0.084344    1.10256  -0.240334    1.58791  0.0608734    1.5321   0.721191 0.350028  0.739777 0.355542  
1 1 1 45 14 0  o 9.00361  0.112043  81.1554      2.01689  81.1554      2.01689  81.1554      2.01689  9.00613  0.0791907 ?        ?         
1 1 1 45 14 1  o 8.27297  0.0746854 68.4818      1.23574  70.2929      1.84912  67.0202      1.66115  8.37881  0.110345  8.18223  0.10151   
1 1 1 45 14 2  o 9.24518  0.0790994 85.5294      1.46258  85.5898      2.05447  85.4674      2.0826   9.24552  0.111106  9.23874  0.11271   
1 1 1 45 14 3  o 8.54003  0.0757069 72.9765      1.29308  73.8262      1.85231  72.1688      1.80594  8.58694  0.107856  8.49014  0.106355  
1 1 1 45 14 4  o 12.3277  0.096282  152.125      2.37387  146.218      3.30414  158.427      3.41283  12.0799  0.136762  12.5743  0.135707  
1 1 1 45 14 5  o 6.15254  0.0692769 37.8739      0.852458 37.5116      1.17917  38.2705      1.2338   6.12152  0.0963135 6.1829   0.0997751 
1 1 1 45 14 6  f 8.22351  0.0732754 67.6674      1.20516  66.2387      1.68919  69.1486      1.71994  8.13369  0.103839  8.31047  0.10348   
1 1 1 45 14 7  o 10.8285  0.0846426 117.358      1.83311  114.447      2.53321  120.558      2.65597  10.689   0.118497  10.9702  0.121054  
1 1 1 45 14 8  o 2.27886  0.10471   5.20047      0.477241 5.72894      0.676084 4.67562      0.673762 2.39047  0.141413  2.15896  0.156039  
1 1 1 45 14 9  o 8.6876   0.0770212 75.5357      1.33826  74.9084      1.91931  76.1293      1.86695  8.64768  0.110972  8.71838  0.10707   
1 1 1 45 14 10 o 2.30523  0.105952  5.32266      0.488486 6.10456      0.731341 4.69285      0.656372 2.46683  0.148235  2.16271  0.151748  
1 1 1 45 14 11 o 6.0399   0.0725506 36.5095      0.876396 36.8483      1.27135  36.2028      1.20976  6.06516  0.104808  6.0122   0.100609  
1 1 1 45 14 12 o 2.60327  0.107099  6.78981      0.557613 7.77306      0.8327   5.99043      0.75081  2.78285  0.149613  2.44274  0.153682  
1 1 1 45 14 13 o 3.20367  0.0935524 10.2796      0.599422 10.9145      0.883107 9.73721      0.816255 3.29839  0.13387   3.11563  0.130994  
1 1 1 45 14 14 o 3.13165  0.0974815 9.82545      0.610556 9.98259      0.897188 9.68991      0.833265 3.15331  0.142262  3.10742  0.134077  
1 1 1 45 14 15 o 1.83237  0.151706  3.3736       0.555963 3.51695      0.795414 3.23667      0.777396 1.86665  0.213059  1.79041  0.2171    
1 1 1 45 14 16 o 5.83269  0.0799395 34.0692      0.932526 33.0008      1.31011  35.1664      1.32765  5.73626  0.114195  5.92181  0.112098  
1 1 1 45 14 17 o 6.61196  0.0892891 43.8057      1.18075  42.0902      1.55651  46.1309      1.81217  6.476    0.120175  6.77682  0.133703  
1 1 1 45 14 18 o 4.99578  0.0870899 25.0111      0.870165 24.0675      1.17184  26.1709      1.29919  4.89609  0.119671  5.10423  0.127266  
1 1 1 45 14 19 o 3.67359  0.0949557 13.5324      0.697657 13.7563      0.958059 13.2798      1.01793  3.69948  0.129486  3.63326  0.140085  
1 1 1 45 14 20 o 1.00623  0.297742  1.06003      0.640658 1.14408      0.906273 0.976078     0.905783 1.07145  0.358898  1.01841  0.357851  
1 1 1 45 14 21 o 1.82926  0.189054  3.38911      0.691658 5.11176      0.916012 1.10432      1.05494  2.24407  0.204096  1.08501  0.385691  
1 1 1 45 14 22 o 0.744626 0.300408  0.279465     0.69051  0.383122     0.937417 0.156504     1.02098  0.862934 0.349243  0.842101 0.354837  
1 1 1 45 14 23 o 1.21296  0.288254  1.58028      0.689905 2.26521      0.95291  0.825754     1.00015  1.44433  0.335923  0.992766 0.372449  
1 1 1 45 14 24 o 3.32195  0.117113  11.1115      0.778086 11.8215      1.07786  10.3389      1.12437  3.41698  0.157721  3.19067  0.176197  
1 1 1 45 14 25 o 0.772053 0.306473  0.377884     0.704667 0.435892     0.940573 0.30367      1.06388  0.867082 0.35028   0.877184 0.365496  
1 1 1 45 14 26 o 2.78145  0.14649   7.83765      0.814913 8.1905       1.12884  7.45363      1.17763  2.82756  0.199614  2.6909   0.218817  
1 1 1 45 14 27 o 1.85114  0.207905  3.52841      0.769725 2.8183       1.056    4.33338      1.12432  1.58976  0.341932  2.0289   0.277077  
1 1 1 45 14 28 o 1.26789  0.31026   1.788        0.781411 1.20017      1.07956  2.43489      1.1325   1.08477  0.389708  1.45445  0.383725  
1 1 1 45 14 29 o 1.09287  0.341152  1.32874      0.826086 1.34058      1.13162  1.31523      1.20871  1.12167  0.399388  1.12449  0.411526  
1 1 1 45 14 30 o 1.205    0.329734  1.66166      0.817463 1.16223      1.13452  2.20092      1.17889  1.06508  0.397252  1.35752  0.404348  
1 1 1 45 14 31 o 0.452188 0.22566   -2.05192     0.835701 -2.35654     1.15853  -1.72145     1.20666  0.557185 0.276216  0.62421  0.303638  
1 1 1 45 14 32 o 0.88949  0.345538  0.744866     0.881739 -0.278281    1.19185  1.98189      1.31051  0.773749 0.351804  1.24921  0.431246  
1 1 1 45 14 33 o 1.81104  0.235519  3.57991      0.85307  2.77936      1.17407  4.4752       1.2416   1.46074  0.393149  1.95812  0.31704   
1 1 1 45 14 34 o 1.3697   0.325009  2.32297      0.878098 2.138        1.21807  2.52311      1.26701  1.23748  0.41608   1.33597  0.423418  
1 1 1 45 14 35 o 1.65041  0.302016  3.38252      0.959796 3.01401      1.45401  3.66708      1.27773  1.35309  0.454596  1.59875  0.400156  
1 1 1 45 14 36 o 0.929793 0.361451  1.1929       0.965176 0.833005     1.39677  1.52179      1.33524  0.883542 0.392568  0.997082 0.412078  
1 1 1 45 14 37 o 0.711919 0.324244  0.330912     1.02192  -0.342869    1.52854  0.875472     1.37417  0.712434 0.34506   0.821622 0.374688  
1 1 1 45 14 38 o 1.28448  0.410166  3.15402      1.1873   3.07526      1.71302  3.22685      1.64713  1.05356  0.452322  1.09632  0.455661  
1 1 1 45 15 0  f 2.19653  0.177991  4.92732      0.770114 4.92732      0.770114 4.92732      0.770114 2.20842  0.124188  ?        ?         
1 1 1 45 15 1  o 2.72751  0.0994432 7.44744      0.542465 8.6031       0.795338 6.44218      0.741782 2.93012  0.135717  2.53515  0.146299  
1 1 1 45 15 2  o 7.07602  0.0705332 50.0979      0.99819  49.4484      1.39192  50.7855      1.43225  7.02811  0.0990252 7.12239  0.100546  
1 1 1 45 15 3  o 1.06257  0.22619   1.17924      0.466345 1.4599       0.631883 0.843506     0.691113 1.18007  0.272952  0.93965  0.313412  
1 1 1 45 15 4  o 2.6899   0.0929663 7.24275      0.50014  7.26955      0.695132 7.214        0.72014  2.69362  0.129033  2.68309  0.134199  
1 1 1 45 15 5  o 6.455    0.0717709 41.6926      0.926562 41.5652      1.27913  41.8333      1.34399  6.4433   0.0992602 6.46369  0.103965  
1 1 1 45 15 6  o 9.17233  0.0792527 84.1976      1.45386  84.3243      2.01942  84.0613      2.0948   9.17588  0.11004   9.161    0.114332  
1 1 1 45 15 7  o 10.0803  0.0880384 101.716      1.7749   100.043      2.57502  103.23       2.44983  9.9912   0.128864  10.1504  0.120676  
1 1 1 45 15 8  o 2.91202  0.0973454 8.49102      0.566944 8.69096      0.761701 8.24266      0.848933 2.94462  0.129338  2.86664  0.148071  
1 1 1 45 15 9  o 4.4687   0.0824936 19.989       0.737278 20.2755      1.05637  19.7168      1.02949  4.49831  0.117418  4.43601  0.116038  
1 1 1 45 15 10 o 5.48219  0.0779413 30.0823      0.854579 29.285       1.15232  31.0568      1.27393  5.40682  0.106561  5.56724  0.114413  
1 1 1 45 15 11 o 3.5442   0.0812046 12.575       0.575611 13.0729      0.900565 12.2311      0.748453 3.61098  0.124698  3.49398  0.107106  
1 1 1 45 15 12 o 1.91106  0.130878  3.66331      0.50023  3.70632      0.731575 3.62554      0.685531 1.91894  0.19062   1.89854  0.180541  
1 1 1 45 15 13 o 2.14352  0.123649  4.60823      0.530087 4.3817       0.758424 4.82457      0.741184 2.08662  0.181735  2.19046  0.169185  
1 1 1 45 15 14 o 1.47577  0.184977  2.19315      0.545966 2.27139      0.820611 2.13101      0.731308 1.47033  0.289366  1.42729  0.266096  
1 1 1 45 15 15 o 5.46027  0.0817763 29.8582      0.893041 30.0003      1.26538  29.7173      1.26053  5.46928  0.115681  5.44341  0.115785  
1 1 1 45 15 16 o 4.19662  0.0894902 17.6458      0.751113 16.9615      1.05689  18.344       1.06765  4.11023  0.128569  4.27494  0.124874  
1 1 1 45 15 17 o 1.71946  0.189392  2.98558      0.651303 3.30971      0.892471 2.61627      0.952632 1.80435  0.247311  1.57058  0.314375  
1 1 1 45 15 18 o 1.8832   0.158705  3.57287      0.597747 4.43764      0.808365 2.52955      0.887905 2.09514  0.192915  1.54622  0.297746  
1 1 1 45 15 19 o 3.36576  0.0999588 11.3647      0.672874 10.2757      0.934205 12.5388      0.969979 3.19444  0.146223  3.53017  0.137384  
1 1 1 45 15 20 o 2.72942  0.132544  7.49705      0.723535 6.8742       0.973748 8.26483      1.08112  2.6054   0.186871  2.85635  0.189249  
1 1 1 45 15 21 o 4.97199  0.0907421 24.795       0.902337 24.8301      1.18749  24.7471      1.38805  4.96993  0.119468  4.95679  0.140015  
1 1 1 45 15 22 o 1.05591  0.304384  1.18436      0.678113 1.34322      0.905898 0.981897     1.02268  1.13213  0.357949  1.04173  0.378799  
1 1 1 45 15 23 o 2.56641  0.151674  6.6584       0.778514 7.26264      1.08066  6.00646      1.12251  2.66918  0.202432  2.42021  0.231902  
1 1 1 45 15 24 o 1.52723  0.221285  2.39192      0.675903 2.66316      0.922511 2.07757      0.993133 1.57094  0.304485  1.37082  0.358273  
1 1 1 45 15 25 o 0.999734 0.326726  1.04068      0.751077 1.31299      1.03561  0.73851      1.09091  1.12444  0.383653  0.981152 0.383686  
1 1 1 45 15 26 o 1.74122  0.215802  3.12172      0.751516 3.66777      1.03039  2.5011       1.09848  1.87011  0.275489  1.48951  0.369947  
1 1 1 45 15 27 o 5.1098   0.101857  26.3103      1.04094  26.0297      1.40982  26.6466      1.54346  5.06596  0.139146  5.11939  0.150747  
1 1 1 45 15 28 o 0.915283 0.327301  0.815755     0.76071  0.913049     1.04155  0.704517     1.11369  1.00085  0.378933  0.966135 0.384727  
1 1 1 45 15 29 o 1.02836  0.334995  1.15413      0.789575 0.54345      1.07951  1.85668      1.15786  0.91381  0.372977  1.26558  0.405141  
1 1 1 45 15 30 o 4.15252  0.118777  17.5034      0.986448 16.7966      1.38655  18.2276      1.4037   4.0353   0.171803  4.20736  0.166815  
1 1 1 45 15 31 o 1.71891  0.251378  3.18597      0.864194 3.08468      1.21288  3.29042      1.23164  1.58962  0.385026  1.64673  0.381194  
1 1 1 45 15 32 o 2.26383  0.202152  5.42811      0.915276 3.14531      1.24497  8.11319      1.35022  1.57703  0.395159  2.73038  0.247259  
1 1 1 45 15 33 o 0.915289 0.346885  0.930283     0.873545 0.241392     1.1515   1.8642       1.34074  0.818883 0.361066  1.16938  0.432705  
1 1 1 45 15 34 o 0.728727 0.315766  0.233366     0.849372 0.559465     1.19524  -0.0993165   1.20724  0.867612 0.375243  0.767902 0.350467  
1 1 1 45 15 35 o 3.05772  0.169072  10.0603      1.03395  9.45839      1.4831   10.6294      1.44221  2.82945  0.262083  3.04234  0.237023  
1 1 1 45 15 36 o 1.33557  0.364203  2.62886      0.999422 2.39588      1.41617  2.86003      1.41064  1.13808  0.438772  1.24602  0.44569   
1 1 1 45 15 37 o 1.20871  0.400282  2.67405      1.12733  4.57422      1.65333  1.023        1.54114  1.41097  0.484639  0.832091 0.386179  
1 1 1 45 15 38 o 0.752739 0.34349   0.941461     1.15881  0.263125     1.55089  1.79885      1.74359  0.695746 0.33957   0.821118 0.390473  
1 1 1 45 16 0  o 5.82735  0.101027  34.0092      1.17664  34.0092      1.17664  34.0092      1.17664  5.82955  0.0713856 ?        ?         
1 1 1 45 16 1  o 3.94147  0.0763911 15.546       0.602186 15.3647      0.855026 15.7244      0.848255 3.917    0.109143  3.96268  0.10703   
1 1 1 45 16 2  o 2.22156  0.113729  4.94303      0.505311 4.72673      0.680287 5.20925      0.754732 2.17089  0.156684  2.2786   0.165613  
1 1 1 45 16 3  o 4.61259  0.0723654 21.2897      0.667584 21.8632      0.931742 20.6848      0.956977 4.67294  0.0996954 4.54495  0.105279  
1 1 1 45 16 4  o 8.6016   0.081122  74.0492      1.39556  74.4479      1.97745  73.6535      1.96981  8.62113  0.114686  8.57499  0.114858  
1 1 1 45 16 5  f 4.27041  0.0717408 18.2488      0.612725 18.0728      0.823579 18.467       0.916975 4.24858  0.096924  4.2941   0.106771  
1 1 1 45 16 6  o 4.29952  0.0752796 18.5003      0.647333 18.7229      0.989854 18.3339      0.855669 4.32312  0.114484  4.27887  0.0999877 
1 1 1 45 16 7  o 5.19131  0.0791523 26.9736      0.821808 26.7293      1.19667  27.1917      1.13057  5.16511  0.115841  5.2102   0.108496  
1 1 1 45 16 8  o 3.3914   0.0950354 11.5169      0.644607 10.9561      0.936512 12.0219      0.888597 3.30506  0.141678  3.46302  0.128298  
1 1 1 45 16 9  o 11.0778  0.0983641 122.902      2.17932  123.215      3.20493  122.633      2.97224  11.082   0.1446    11.0583  0.134389  
1 1 1 45 16 10 o 5.23905  0.095285  27.489       0.998405 27.2774      1.42496  27.6931      1.39931  5.21463  0.136631  5.25462  0.13315   
1 1 1 45 16 11 o 8.28188  0.0807956 68.6695      1.33828  68.1665      1.9093   69.1554      1.87636  8.24638  0.115766  8.30646  0.112945  
1 1 1 45 16 12 o 8.79184  0.0859592 77.406       1.51148  81.557       2.23523  73.9088      2.05166  9.01762  0.123937  8.58528  0.119487  
1 1 1 45 16 13 o 5.75009  0.0749717 33.1014      0.862188 33.4927      1.20017  32.6841      1.23941  5.78099  0.103803  5.7102   0.108526  
1 1 1 45 16 14 o 4.94177  0.0879039 24.4618      0.868802 22.5573      1.34848  25.8133      1.136    4.73921  0.142269  5.07389  0.111946  
1 1 1 45 16 15 o 2.73656  0.112536  7.51115      0.615922 7.0138       0.898131 7.95272      0.846272 2.63937  0.170141  2.81256  0.150445  
1 1 1 45 16 16 o 1.35329  0.215102  1.85375      0.582191 0.655329     0.85816  2.87566      0.792445 0.916174 0.344746  1.6836   0.235343  
1 1 1 45 16 17 o 2.70727  0.115631  7.35756      0.626086 6.72677      0.879901 8.00442      0.891043 2.5829   0.170332  2.81915  0.158034  
1 1 1 45 16 18 o 2.7699   0.115746  7.70437      0.641206 7.97316      0.88502  7.4074       0.930277 2.81278  0.157321  2.70916  0.171691  
1 1 1 45 16 19 f 2.23288  0.141007  5.02004      0.6297   4.90152      0.864495 5.15399      0.91907  2.19916  0.196551  2.25395  0.20388   
1 1 1 45 16 20 o 2.13314  0.159376  4.59167      0.679942 4.4307       0.933004 4.774        0.99296  2.08615  0.223619  2.16446  0.229378  
1 1 1 45 16 21 o 2.599    0.136354  6.80389      0.708768 7.12761      0.974715 6.44067      1.03247  2.65231  0.183748  2.51723  0.205081  
1 1 1 45 16 22 o 4.00629  0.104991  16.1241      0.841251 16.6789      1.14751  15.4794      1.23693  4.06699  0.141076  3.91388  0.158019  
1 1 1 45 16 23 o 2.20042  0.165886  4.90882      0.730035 4.84423      0.990744 4.98556      1.07985  2.17285  0.227983  2.19988  0.245434  
1 1 1 45 16 24 o 0.819377 0.307648  0.555227     0.682671 1.03183      0.913111 -0.0487922   1.02794  1.02278  0.359304  0.795293 0.346032  
1 1 1 45 16 25 o 3.64589  0.11781   13.404       0.859044 12.5366      1.1711   14.4144      1.26395  3.51118  0.166768  3.76454  0.167875  
1 1 1 45 16 26 o 2.8779   0.138929  8.38972      0.799647 7.8215       1.094    9.04156      1.17174  2.76047  0.198155  2.96827  0.197377  
1 1 1 45 16 27 o 0.879319 0.33042   0.679064     0.787783 1.62895      1.07248  -0.43403     1.16096  1.20783  0.390246  0.770652 0.349436  
1 1 1 45 16 28 o 1.67305  0.236621  2.92687      0.791757 3.76823      1.09634  2.00973      1.14464  1.8771   0.292032  1.31755  0.399649  
1 1 1 45 16 29 o 0.764646 0.316053  0.291436     0.785604 -0.00597051  1.08195  0.623093     1.14255  0.804064 0.352389  0.94374  0.384208  
1 1 1 45 16 30 o 2.87702  0.153311  8.50114      0.882161 7.8355       1.23953  9.18431      1.25576  2.7189   0.227947  2.95458  0.21251   
1 1 1 45 16 31 o 1.00581  0.345296  1.14429      0.839184 1.48359      1.17537  0.791482     1.19854  1.12425  0.40636   0.964513 0.393227  
1 1 1 45 16 32 o 2.62354  0.175305  7.21203      0.919839 8.58732      1.2813   5.74947      1.32132  2.81913  0.22725   2.25146  0.293437  
1 1 1 45 16 33 o 1.14012  0.349521  1.65514      0.872404 1.84933      1.15683  1.39906      1.32842  1.17052  0.405066  1.05989  0.420774  
1 1 1 45 16 34 o 1.29981  0.356237  2.2605       0.953233 -0.260901    1.35268  4.74786      1.34352  0.76894  0.358764  1.89665  0.367292  
1 1 1 45 16 35 o 1.11703  0.370311  1.82071      0.964832 2.03984      1.39727  1.621        1.33389  1.10672  0.433936  1.02546  0.415951  
1 1 1 45 16 36 o 0.843288 0.349423  1.00718      0.963988 0.948744     1.43744  1.05495      1.29954  0.851723 0.387016  0.862016 0.381375  
1 1 1 45 16 37 o 0.734453 0.336535  0.404502     1.1256   0.868224     1.56375  -0.0940988   1.6215   0.824787 0.385178  0.740563 0.358112  
1 1 1 45 17 0  o 3.35146  0.123158  11.2888      0.822992 11.2888      0.822992 11.2888      0.822992 3.35569  0.0868413 ?        ?         
1 1 1 45 17 1  o 4.53683  0.074186  20.5977      0.673138 20.9396      0.97629  20.2879      0.929365 4.57255  0.106755  4.50105  0.103239  
1 1 1 45 17 2  o 6.92457  0.0749824 47.9856      1.03844  48.6409      1.42932  47.253       1.51126  6.96942  0.102542  6.86855  0.110013  
1 1 1 45 17 3  o 7.76914  0.0758221 60.4068      1.17815  60.9932      1.67927  59.8384      1.65333  7.80367  0.107595  7.72952  0.106949  
1 1 1 45 17 4  o 6.09808  0.0691888 37.2113      0.843838 36.0408      1.20935  38.3218      1.178    5.99917  0.100793  6.18657  0.0952064 
1 1 1 45 17 5  o 10.5192  0.0870827 110.771      1.83207  110.15       2.55882  111.425      2.62431  10.4841  0.122033  10.5442  0.124443  
1 1 1 45 17 6  o 13.5015  0.10822   182.601      2.92225  179.894      4.21784  185.099      4.05248  13.3881  0.157522  13.5829  0.149176  
1 1 1 45 17 7  o 5.82849  0.0761711 34.0011      0.887925 32.9044      1.25401  35.1037      1.25743  5.731    0.109406  5.91974  0.106206  
1 1 1 45 17 8  o 1.78471  0.164802  3.19895      0.588246 2.60893      0.846005 3.75121      0.818488 1.60629  0.263341  1.92984  0.212061  
1 1 1 45 17 9  o 9.33301  0.0885005 87.2205      1.65195  87.4011      2.32736  87.0372      2.34517  9.33649  0.124638  9.3168   0.125857  
1 1 1 45 17 10 o 6.18892  0.0814696 38.3486      1.00842  39.0871      1.53212  37.7841      1.33946  6.24347  0.122698  6.14027  0.109071  
1 1 1 45 17 11 f 4.8803   0.0841482 23.8497      0.821337 22.7599      1.17342  24.8966      1.15003  4.76379  0.12316   4.98327  0.115389  
1 1 1 45 17 12 o 2.32044  0.13044   5.40304      0.605357 5.41949      0.870398 5.38763      0.842492 2.31975  0.187606  2.31339  0.18209   
1 1 1 45 17 13 o 2.65788  0.122202  7.08687      0.649598 6.14792      0.939324 7.94754      0.899322 2.47006  0.190142  2.81153  0.159934  
1 1 1 45 17 14 o 7.85606  0.0821447 61.8144      1.29067  59.418       1.79793  64.3624      1.85392  7.69615  0.116807  8.0102   0.115722  
1 1 1 45 17 15 o 3.55229  0.0939401 12.6474      0.667404 11.9269      0.966517 13.304       0.922709 3.44488  0.140283  3.63999  0.126746  
1 1 1 45 17 16 o 0.582601 0.253677  -0.0881648   0.553219 -0.387432    0.801298 0.184407     0.764724 0.647775 0.292188  0.754027 0.311754  
1 1 1 45 17 17 o 6.39576  0.0796837 40.9848      1.01928  41.1611      1.39884  40.7852      1.48826  6.40408  0.109215  6.37313  0.116761  
1 1 1 45 17 18 o 1.88205  0.169246  3.57581      0.637059 3.25909      0.886389 3.91421      0.916226 1.78692  0.248022  1.96053  0.233668  
1 1 1 45 17 19 o 0.995273 0.301729  1.03313      0.652567 0.938371     0.871908 1.1538       0.983955 0.99839  0.351068  1.08621  0.373799  
1 1 1 45 17 20 o 1.51057  0.213638  2.32056      0.645432 1.95663      0.926851 2.6632       0.899328 1.344    0.343487  1.5829   0.295065  
1 1 1 45 17 21 o 2.20054  0.152313  4.88735      0.670344 4.44011      0.933232 5.36408      0.963512 2.08623  0.223665  2.29576  0.209846  
1 1 1 45 17 22 o 2.75438  0.143967  7.66245      0.793078 6.99176      1.0809   8.44454      1.16723  2.61757  0.206471  2.8777   0.202806  
1 1 1 45 17 23 o 1.55089  0.222061  2.46714      0.688787 2.17024      0.912238 2.86087      1.05052  1.40757  0.329525  1.61788  0.335877  
1 1 1 45 17 24 o 2.87017  0.130685  8.31982      0.750175 9.47668      1.0261   6.99152      1.09951  3.05337  0.168028  2.61058  0.210587  
1 1 1 45 17 25 o 0.711491 0.301085  0.103934     0.740263 -0.243402    1.01709  0.49519      1.07948  0.753103 0.334765  0.918518 0.373616  
1 1 1 45 17 26 o 2.16493  0.179255  4.79617      0.776146 5.122        1.0664   4.42916      1.13179  2.21728  0.240475  2.04878  0.27621   
1 1 1 45 17 27 o 3.8569   0.117465  15.0324      0.906102 16.2306      1.24952  13.7035      1.3159   3.99151  0.156522  3.65684  0.179924  
1 1 1 45 17 28 o 2.22241  0.180807  5.08052      0.803655 4.8809       1.10555  5.30419      1.17029  2.14799  0.257345  2.23718  0.261556  
1 1 1 45 17 29 o 1.87523  0.212916  3.68019      0.798531 6.15818      1.1272   1.18372      1.1314   2.41535  0.233342  1.06635  0.396909  
1 1 1 45 17 30 o 0.888852 0.3381    0.754584     0.832375 0.430923     1.17348  1.08233      1.18087  0.892988 0.378546  1.03187  0.400076  
1 1 1 45 17 31 o 0.597233 0.277571  -0.512919    0.799779 -0.897199    1.08575  -0.057057    1.18256  0.657525 0.310523  0.802163 0.358643  
1 1 1 45 17 32 o 1.29527  0.337044  2.06715      0.881378 2.46524      1.19421  1.59088      1.30622  1.35871  0.407426  1.11716  0.42395   
1 1 1 45 17 33 o 1.81187  0.254473  3.69345      0.922144 3.77667      1.29714  3.60842      1.31119  1.68823  0.391459  1.63451  0.403096  
1 1 1 45 17 34 o 1.04808  0.363572  1.52174      0.932439 2.4953       1.25145  0.306774     1.39803  1.27009  0.421743  0.835667 0.380241  
1 1 1 45 17 35 o 0.717939 0.321158  0.207045     0.949396 -0.835399    1.38621  1.12802      1.30295  0.691667 0.333825  0.924777 0.39567   
1 1 1 45 17 36 o 0.689595 0.314082  0.24529      0.958958 0.693179     1.35297  -0.206862    1.3594   0.798784 0.367246  0.702157 0.336839  
1 1 1 45 17 37 o 1.01562  0.39612   2.05446      1.16118  3.05703      1.59899  0.935807     1.68903  1.09442  0.451515  0.811978 0.385267  
1 1 1 45 18 0  o 5.70604  0.108504  32.6213      1.23725  32.6213      1.23725  32.6213      1.23725  5.70877  0.0766558 ?        ?         
1 1 1 45 18 1  o 5.64429  0.0737985 31.8827      0.833081 32.0264      1.1986   31.7484      1.15872  5.65466  0.105983  5.63032  0.1029    
1 1 1 45 18 2  o 4.75592  0.0721801 22.6357      0.686566 22.722       0.938852 22.5364      1.00659  4.76343  0.0985479 4.74342  0.106103  
1 1 1 45 18 3  o 8.16061  0.0749795 66.6499      1.22376  66.2153      1.72119  67.0941      1.74028  8.13063  0.105846  8.18435  0.106317  
1 1 1 45 18 4  o 6.78624  0.069693  46.0861      0.945907 47.8235      1.37839  44.5396      1.30044  6.91033  0.0997342 6.66908  0.0974975 
1 1 1 45 18 5  o 11.4957  0.0984742 132.345      2.26406  130.231      3.07473  134.849      3.3462   11.396   0.134904  11.594   0.144307  
1 1 1 45 18 6  o 6.56803  0.0754799 43.1777      0.991508 44.4675      1.4102   41.9167      1.39434  6.66247  0.105832  6.46834  0.107782  
1 1 1 45 18 7  o 2.6459   0.112949  7.01551      0.597703 6.63841      0.839495 7.40318      0.851187 2.57082  0.163273  2.71534  0.156737  
1 1 1 45 18 8  o 2.33223  0.130401  5.4554       0.608249 5.75377      0.852359 5.14581      0.868248 2.39205  0.178165  2.26114  0.191993  
1 1 1 45 18 9  o 4.67521  0.0821407 21.8847      0.768051 20.2625      1.0657   23.6378      1.1079   4.49559  0.118527  4.85606  0.114074  
1 1 1 45 18 10 o 4.57028  0.08453   20.9165      0.772652 20.1612      1.11635  21.6111      1.07049  4.48337  0.124499  4.64278  0.115285  
1 1 1 45 18 11 o 2.79375  0.114226  7.82578      0.638239 7.53488      0.928867 8.08596      0.878453 2.737    0.169687  2.8367   0.154837  
1 1 1 45 18 12 o 4.73867  0.083362  22.4883      0.79005  21.1026      1.13663  23.7836      1.09892  4.58632  0.123916  4.87029  0.112819  
1 1 1 45 18 13 o 3.49676  0.0991777 12.255       0.693601 11.7664      0.996031 12.7151      0.966437 3.4219   0.145538  3.55828  0.135801  
1 1 1 45 18 14 o 4.35885  0.0784475 19.0291      0.683881 18.9837      1.06152  19.0613      0.894176 4.34888  0.122045  4.36016  0.10254   
1 1 1 45 18 15 o 4.23619  0.089526  17.9855      0.758499 18.4324      1.09925  17.5792      1.04794  4.28356  0.128311  4.18369  0.125241  
1 1 1 45 18 16 o 0.858446 0.27224   0.743906     0.523716 0.726136     0.737346 0.761997     0.743993 0.901975 0.322266  0.915428 0.324051  
1 1 1 45 18 17 o 1.33584  0.210454  1.80989      0.562265 1.80982      0.778575 1.80996      0.812857 1.30073  0.304373  1.29911  0.315539  
1 1 1 45 18 18 o 2.41217  0.138321  5.8586       0.667308 5.51765      0.924434 6.22955      0.964256 2.33248  0.198165  2.47902  0.194483  
1 1 1 45 18 19 o 3.85164  0.0980105 14.8861      0.755003 14.8754      1.0357   14.8981      1.10294  3.8443   0.134706  3.84555  0.143405  
1 1 1 45 18 20 o 3.12611  0.107529  9.81727      0.672295 9.32119      0.925539 10.3714      0.97818  3.03914  0.15227   3.20571  0.152568  
1 1 1 45 18 21 o 2.2275   0.160272  5.01662      0.714009 5.13986      1.01666  4.89668      1.003    2.24229  0.226701  2.18808  0.229197  
1 1 1 45 18 22 o 3.44353  0.120576  11.9448      0.83041  12.4517      1.13252  11.3554      1.22125  3.50576  0.161523  3.34183  0.182722  
1 1 1 45 18 23 o 1.61421  0.210383  2.67084      0.679203 2.4697       0.896623 2.94167      1.04041  1.50717  0.308095  1.64068  0.328665  
1 1 1 45 18 24 o 0.748938 0.305818  0.270802     0.726074 -0.0555432   0.995762 0.6413       1.06099  0.780101 0.340001  0.949103 0.376277  
1 1 1 45 18 25 o 0.577595 0.266466  -0.505469    0.7197   -1.91964     0.960126 1.30821      1.08732  0.524418 0.25829   1.12237  0.392294  
1 1 1 45 18 26 f 1.55697  0.240226  2.5292       0.748047 2.49354      1.0312   2.56882      1.08679  1.4848   0.35213   1.50198  0.364878  
1 1 1 45 18 27 o 2.96646  0.141877  8.94069      0.841744 8.93049      1.16292  8.95191      1.21994  2.94307  0.197568  2.94212  0.207323  
1 1 1 45 18 28 o 1.02995  0.33188   1.16339      0.776042 1.96709      1.06918  0.268551     1.12818  1.30007  0.384622  0.870122 0.370099  
1 1 1 45 18 29 o 1.47612  0.282504  2.43282      0.804276 3.36132      1.11805  1.43706      1.15783  1.70502  0.339914  1.12596  0.403679  
1 1 1 45 18 30 o 1.52746  0.277665  2.6165       0.816924 3.07947      1.10571  2.06003      1.21223  1.6098   0.353068  1.28443  0.414884  
1 1 1 45 18 31 o 0.562149 0.267726  -0.810426    0.822422 -0.262447    1.14002  -1.4051      1.1876   0.753714 0.343062  0.63593  0.307335  
1 1 1 45 18 32 o 1.64845  0.262399  3.05882      0.865103 2.6808       1.17596  3.50473      1.27719  1.41319  0.398751  1.62874  0.395476  
1 1 1 45 18 33 o 0.694308 0.311571  -0.0157091   0.899836 -0.0955974   1.21427  0.0815993    1.34014  0.767679 0.350832  0.819267 0.372646  
1 1 1 45 18 34 o 0.910612 0.350672  1.08262      0.904018 1.29298      1.23744  0.841834     1.32389  0.967196 0.397805  0.891331 0.390224  
1 1 1 45 18 35 o 0.958322 0.361489  1.36673      0.944935 2.34989      1.39836  0.540504     1.2819   1.1294   0.435885  0.810774 0.36743   
1 1 1 45 18 36 o 0.722775 0.328497  0.442327     1.03689  0.794265     1.49762  0.118295     1.43702  0.804565 0.376204  0.731984 0.34998   
1 1 1 45 18 37 o 0.698361 0.326555  0.502927     1.12852  0.558738     1.48396  0.426379     1.73791  0.722306 0.347818  0.724216 0.354799  
1 1 1 45 19 0  o 2.12019  0.183001  4.60589      0.762695 4.60589      0.762695 4.60589      0.762695 2.13349  0.127432  ?        ?         
1 1 1 45 19 1  o 2.26833  0.121853  5.15693      0.552807 4.37811      0.777279 5.95409      0.786375 2.08684  0.186234  2.43523  0.161458  
1 1 1 45 19 2  o 5.26056  0.072388  27.6957      0.761603 26.5125      1.0773   28.8779      1.07684  5.14465  0.104701  5.36963  0.100272  
1 1 1 45 19 3  o 6.12249  0.0697751 37.5135      0.854396 37.2349      1.22295  37.7791      1.19416  6.0972   0.100288  6.14189  0.0972147 
1 1 1 45 19 4  o 1.55213  0.132224  2.41587      0.410457 1.99078      0.564228 2.89371      0.598211 1.40638  0.200596  1.69683  0.176273  
1 1 1 45 19 5  o 5.56403  0.0803049 30.9914      0.893637 30.5483      1.2266   31.4927      1.30458  5.52137  0.111078  5.6055   0.116366  
1 1 1 45 19 6  o 6.27774  0.0759899 39.4492      0.95409  38.6373      1.35274  40.253       1.34586  6.2095   0.108925  6.33833  0.106169  
1 1 1 45 19 7  f 4.36336  0.0841013 19.0631      0.733929 19.4239      1.03721  18.7014      1.03865  4.40174  0.117818  4.31887  0.120246  
1 1 1 45 19 8  o 2.76946  0.112074  7.68805      0.62077  7.63971      0.906565 7.73072      0.851794 2.75699  0.164412  2.77427  0.153517  
1 1 1 45 19 9  f 3.1143   0.10185   9.71875      0.634384 10.0059      0.950173 9.48778      0.852123 3.15617  0.150527  3.0744   0.138584  
1 1 1 45 19 10 o 9.06402  0.0896998 82.2921      1.62608  80.1199      2.33127  84.3503      2.26923  8.93547  0.130451  9.16992  0.123732  
1 1 1 45 19 11 o 5.64714  0.080282  31.9344      0.906728 30.2899      1.29535  33.5142      1.26965  5.4955   0.117855  5.78172  0.109799  
1 1 1 45 19 12 o 5.56621  0.0795454 31.0279      0.885532 29.8095      1.24359  32.2811      1.26126  5.45165  0.114056  5.67359  0.111152  
1 1 1 45 19 13 o 6.39465  0.0837484 40.9636      1.07108  39.8911      1.48302  42.1329      1.54858  6.30503  0.117606  6.47941  0.1195    
1 1 1 45 19 14 o 3.02579  0.109853  9.18599      0.664787 9.68863      0.966213 8.73414      0.916089 3.10236  0.155722  2.94561  0.155501  
1 1 1 45 19 15 o 1.27988  0.200421  1.65749      0.51303  1.1012       0.84988  1.97641      0.643499 1.0513   0.347552  1.39502  0.230641  
1 1 1 45 19 16 o 1.96498  0.144144  3.8865       0.56648  3.84717      0.818982 3.92258      0.784385 1.94773  0.21024   1.96812  0.199272  
1 1 1 45 19 17 o 0.795418 0.293093  0.526429     0.614012 0.181736     0.860075 0.884703     0.876855 0.789111 0.328702  0.984127 0.351452  
1 1 1 45 19 18 o 3.03399  0.114166  9.24811      0.692757 8.46519      1.03684  9.87945      0.931081 2.89275  0.179215  3.13066  0.148703  
1 1 1 45 19 19 o 2.72607  0.124668  7.4758       0.67971  7.09637      0.992846 7.81051      0.932499 2.64604  0.18761   2.77972  0.167733  
1 1 1 45 19 20 o 2.2315   0.1475    5.02322      0.658293 4.41279      0.893129 5.74929      0.974061 2.08126  0.214565  2.37755  0.204845  
1 1 1 45 19 21 o 2.16763  0.165132  4.7623       0.715892 5.3336       0.992605 4.14299      1.03348  2.28301  0.21739   2.00282  0.258006  
1 1 1 45 19 22 o 0.71269  0.294751  0.188771     0.683901 -0.373659    0.955885 0.778598     0.978889 0.710918 0.319984  0.967271 0.367024  
1 1 1 45 19 23 o 1.77933  0.195664  3.23687      0.696303 3.01838      0.949947 3.49057      1.02362  1.69891  0.279575  1.8268   0.280166  
1 1 1 45 19 24 f 1.06729  0.317581  1.23517      0.727481 1.48718      1.00138  0.953525     1.05864  1.16962  0.377007  1.02432  0.383402  
1 1 1 45 19 25 o 1.22131  0.305399  1.65115      0.74477  1.86347      0.999458 1.38605      1.11681  1.28365  0.369369  1.14339  0.397775  
1 1 1 45 19 26 o 0.623941 0.281424  -0.295486    0.743252 -0.238017    1.01319  -0.362444    1.09364  0.747078 0.333046  0.756707 0.341337  
1 1 1 45 19 27 o 1.34041  0.294087  1.9969       0.766898 0.710633     1.05124  3.46021      1.12126  0.945649 0.37466   1.75625  0.331332  
1 1 1 45 19 28 o 0.719529 0.306813  0.125361     0.778786 0.535142     1.09624  -0.292187    1.10658  0.909427 0.374297  0.761445 0.343418  
1 1 1 45 19 29 o 0.974123 0.337177  1.0418       0.801594 0.774354     1.07801  1.37255      1.19884  0.945145 0.377811  1.1066   0.409229  
1 1 1 45 19 30 o 0.64233  0.290002  -0.226492    0.791171 -0.587327    1.04186  0.265042     1.21599  0.682254 0.316978  0.86599  0.376566  
1 1 1 45 19 31 o 1.93716  0.226167  4.0607       0.876246 3.77587      1.18279  4.40718      1.30453  1.76112  0.348196  1.89739  0.356883  
1 1 1 45 19 32 o 0.816554 0.3342    0.574325     0.869099 1.87339      1.2144   -0.789539    1.24433  1.1704   0.41404   0.70126  0.331763  
1 1 1 45 19 33 o 1.96884  0.239458  4.3958       0.942907 4.80178      1.30082  3.94634      1.36871  1.92259  0.351356  1.6565   0.413884  
1 1 1 45 19 34 o 0.762837 0.331921  0.436205     0.945864 1.20278      1.29284  -0.446697    1.38747  0.944762 0.398752  0.732675 0.348371  
1 1 1 45 19 35 o 0.593896 0.285447  -0.587587    0.98789  -0.792825    1.33988  -0.343128    1.46231  0.656487 0.319534  0.715065 0.344562  
1 1 1 45 19 36 o 2.1081   0.263851  5.66038      1.11245  5.97325      1.65866  5.40457      1.4998   1.77721  0.462322  1.7538   0.430251  
1 1 1 45 20 0  o 5.96427  0.0967583 35.6282      1.1535   35.6282      1.1535   35.6282      1.1535   5.9666   0.0683714 ?        ?         
1 1 1 45 20 1  o 1.93255  0.139105  3.74678      0.537654 3.65263      0.738914 3.85271      0.783783 1.90517  0.193923  1.95625  0.200328  
1 1 1 45 20 2  o 2.28107  0.113262  5.21451      0.516715 4.78726      0.729015 5.64583      0.732488 2.18282  0.166989  2.3713   0.154449  
1 1 1 45 20 3  o 3.1412   0.0784132 9.87755      0.492623 9.7769       0.678351 9.98985      0.716568 3.12362  0.108584  3.15716  0.113483  
1 1 1 45 20 4  o 2.19613  0.090718  4.82999      0.398458 4.54945      0.552317 5.13446      0.575401 2.12978  0.129665  2.2627   0.127149  
1 1 1 45 20 5  o 3.8624   0.0897972 14.9399      0.693665 14.0147      0.971661 15.9014      0.990595 3.7379   0.129974  3.98207  0.124382  
1 1 1 45 20 6  o 4.21104  0.0834624 17.756       0.702927 18.8663      1.01776  16.7433      0.972001 4.33794  0.117308  4.08645  0.11893   
1 1 1 45 20 7  o 2.00016  0.145891  4.01724      0.583614 4.07012      0.865201 3.97309      0.790551 2.00842  0.215394  1.98563  0.199068  
1 1 1 45 20 8  o 3.51032  0.0928278 12.3437      0.651711 12.028       0.923259 12.6573      0.920065 3.46197  0.133343  3.55174  0.129523  
1 1 1 45 20 9  o 2.72499  0.111568  7.44478      0.608042 6.41456      0.868658 8.43447      0.851403 2.52499  0.172012  2.89776  0.146907  
1 1 1 45 20 10 o 2.07428  0.144231  4.32216      0.598351 4.57163      0.860697 4.08881      0.832406 2.12874  0.202161  2.01279  0.206779  
1 1 1 45 20 11 o 6.79014  0.0810634 46.1765      1.10086  45.0555      1.56753  47.2674      1.5464   6.70171  0.11695   6.86503  0.112629  
1 1 1 45 20 12 o 5.00384  0.0848328 25.0839      0.84898  24.6115      1.16276  25.6232      1.24248  4.95243  0.117393  5.05235  0.122961  
1 1 1 45 20 13 o 1.76068  0.171687  3.12523      0.604574 3.26676      0.868354 2.99208      0.842238 1.7931   0.242138  1.71569  0.245452  
1 1 1 45 20 14 o 2.92212  0.113492  8.57096      0.663275 9.7417       0.950966 7.4619       0.925574 3.11062  0.152858  2.72022  0.170128  
1 1 1 45 20 15 o 1.5205   0.215085  2.34534      0.654076 2.93429      0.872008 1.58774      0.989005 1.69544  0.257162  1.22633  0.371388  
1 1 1 45 20 16 o 0.759326 0.275947  0.491702     0.542645 0.540094     0.85074  0.458509     0.704588 0.87664  0.339644  0.803765 0.309573  
1 1 1 45 20 17 o 2.75307  0.113647  7.61461      0.625757 7.49594      0.919433 7.71701      0.854084 2.72385  0.168774  2.76603  0.154388  
1 1 1 45 20 18 o 2.35058  0.134653  5.56248      0.633027 4.73385      0.951949 6.21938      0.847584 2.15618  0.220749  2.48036  0.170859  
1 1 1 45 20 19 o 1.58413  0.20248   2.55051      0.641508 1.52823      0.944627 3.42553      0.873948 1.19702  0.36305   1.83     0.238784  
1 1 1 45 20 20 o 2.97439  0.127208  8.91251      0.756729 8.38549      1.05451  9.47205      1.08656  2.87371  0.183475  3.05564  0.177796  
1 1 1 45 20 21 o 2.58132  0.150877  6.74022      0.778922 5.44344      1.10143  8.03762      1.10169  2.29987  0.239455  2.80776  0.196187  
1 1 1 45 20 22 o 2.93833  0.128201  8.71477      0.753394 8.53956      1.06662  8.88922      1.0643   2.89423  0.184267  2.95413  0.180138  
1 1 1 45 20 23 o 3.21592  0.12012   10.4329      0.772594 9.62826      1.03271  11.4557      1.16431  3.07653  0.167837  3.35384  0.173579  
1 1 1 45 20 24 o 1.16752  0.302644  1.49976      0.712379 1.14495      0.946819 1.96266      1.08147  1.0558   0.366353  1.3182   0.385825  
1 1 1 45 20 25 o 3.11148  0.130923  9.80595      0.814727 9.10695      1.10521  10.6379      1.20574  2.97958  0.185464  3.21951  0.187255  
1 1 1 45 20 26 o 2.56054  0.158024  6.68556      0.809255 6.4132       1.08585  7.02585      1.21372  2.48606  0.218387  2.59521  0.233838  
1 1 1 45 20 27 o 2.22224  0.175422  5.0727       0.779661 4.36295      1.05464  5.92804      1.15777  2.02888  0.259907  2.37295  0.243952  
1 1 1 45 20 28 o 2.27403  0.180264  5.35533      0.819852 5.67715      1.12877  4.99598      1.19277  2.30813  0.244521  2.14604  0.277899  
1 1 1 45 20 29 o 1.63649  0.248456  2.88369      0.813194 3.06712      1.0986   2.66138      1.20943  1.60898  0.351113  1.46273  0.401429  
1 1 1 45 20 30 o 1.41234  0.294621  2.3045       0.804962 1.45989      1.07157  3.39841      1.2195   1.10083  0.388979  1.65893  0.37615   
1 1 1 45 20 31 o 1.41151  0.315343  2.40494      0.867556 2.10184      1.20992  2.72569      1.24464  1.24312  0.414686  1.41587  0.413748  
1 1 1 45 20 32 o 0.840015 0.331229  0.716022     0.818039 0.921086     1.15328  0.508375     1.16052  0.936284 0.384388  0.857209 0.370235  
1 1 1 45 20 33 o 0.771028 0.334374  0.423117     0.953928 1.36006      1.31799  -0.607708    1.38244  0.99139  0.409547  0.725332 0.345954  
1 1 1 45 20 34 o 0.888505 0.358133  1.03166      0.980131 1.53758      1.32296  0.416097     1.45927  0.997613 0.410988  0.832706 0.382236  
1 1 1 45 20 35 o 0.954016 0.368352  1.54792      0.998844 2.58857      1.36958  0.365481     1.4599   1.11267  0.430972  0.767611 0.361795  
1 1 1 45 20 36 o 0.970543 0.394037  1.90563      1.19843  2.52539      1.72378  1.32581      1.66731  0.981236 0.436025  0.845915 0.395973  
1 1 1 45 21 0  o 3.60267  0.126524  13.0459      0.909097 13.0459      0.909097 13.0459      0.909097 3.60731  0.0892243 ?        ?         
1 1 1 45 21 1  o 6.42416  0.0745366 41.3115      0.957669 42.1291      1.35408  40.4934      1.35462  6.48423  0.104414  6.35685  0.106548  
1 1 1 45 21 2  o 9.06013  0.0810479 82.185       1.46861  82.1394      2.13106  82.2263      2.02672  9.05153  0.117718  9.05743  0.111881  
1 1 1 45 21 3  o 2.93278  0.0810626 8.61173      0.475477 8.62374      0.653534 8.59822      0.693058 2.93322  0.111402  2.92844  0.118332  
1 1 1 45 21 4  o 5.47587  0.071453  30.0143      0.782534 29.9533      1.05748  30.0883      1.16344  5.46808  0.0966954 5.47939  0.106165  
1 1 1 45 21 5  o 3.38786  0.0946883 11.4978      0.64158  10.8305      0.884853 12.2375      0.931616 3.28514  0.134675  3.49213  0.133388  
1 1 1 45 21 6  o 3.36898  0.0943741 11.3703      0.635889 11.3995      0.907193 11.3421      0.891576 3.37022  0.13459   3.3619   0.1326    
1 1 1 45 21 7  o 5.0115   0.0782928 25.1468      0.784728 23.7583      1.10114  26.5797      1.11861  4.86788  0.113103  5.14934  0.108617  
1 1 1 45 21 8  o 3.49221  0.0924516 12.2176      0.645721 12.4789      0.922726 11.9669      0.903937 3.52621  0.130838  3.4531   0.130888  
1 1 1 45 21 9  o 3.52136  0.0922702 12.4235      0.649834 11.6027      0.90353  13.3032      0.935301 3.39961  0.132887  3.64069  0.128451  
1 1 1 45 21 10 o 7.23982  0.0817476 52.498       1.18368  54.9216      1.71744  50.3051      1.63364  7.39912  0.116057  7.08147  0.115346  
1 1 1 45 21 11 f 0.64817  0.269353  0.108709     0.575403 -0.485789    0.834617 0.64724      0.79436  0.64748  0.294394  0.895155 0.332698  
1 1 1 45 21 12 o 1.02009  0.276012  1.09825      0.57678  0.098436     0.832186 2.02254      0.800137 0.761587 0.320606  1.3796   0.298432  
1 1 1 45 21 13 o 0.549479 0.250541  -0.392698    0.613871 -0.621023    0.844383 -0.136734    0.894032 0.628973 0.289573  0.737313 0.321751  
1 1 1 45 21 14 o 3.75181  0.104172  14.1235      0.781668 13.3889      1.09185  14.8958      1.11956  3.64636  0.149718  3.84682  0.145518  
1 1 1 45 21 15 o 3.1393   0.117373  9.90075      0.73694  10.2767      1.03808  9.51884      1.04635  3.19143  0.162635  3.07018  0.170406  
1 1 1 45 21 16 o 1.09913  0.278359  1.28931      0.612849 1.92508      0.840716 0.56838      0.89525  1.33729  0.318461  0.897377 0.348263  
1 1 1 45 21 17 o 1.33177  0.212541  1.80267      0.56611  0.954087     0.853571 2.46905      0.756406 0.999546 0.347749  1.55457  0.243285  
1 1 1 45 21 18 o 2.45156  0.132913  6.0522       0.651689 5.72322      0.993242 6.30089      0.86356  2.37178  0.209387  2.49538  0.173032  
1 1 1 45 21 19 o 1.28303  0.25254   1.74492      0.624951 1.70526      0.921297 1.77873      0.850562 1.25383  0.352673  1.28018  0.330157  
1 1 1 45 21 20 f 1.10397  0.309269  1.31578      0.709881 1.10274      1.05838  1.49         0.957092 1.07479  0.385891  1.17781  0.367116  
1 1 1 45 21 21 o 0.828804 0.305256  0.597143     0.665964 0.327347     0.939127 0.87005      0.944528 0.842497 0.346541  0.983302 0.363318  
1 1 1 45 21 22 o 0.993088 0.309574  1.04618      0.680551 0.890994     0.935434 1.22068      0.991937 0.984633 0.361864  1.09084  0.37532   
1 1 1 45 21 23 o 2.01444  0.182735  4.14475      0.73622  4.29895      1.02831  3.98258      1.05453  2.03183  0.25305   1.95016  0.27037   
1 1 1 45 21 24 o 4.19526  0.109591  17.7547      0.919526 17.6249      1.27743  17.8943      1.32466  4.16266  0.15344   4.19222  0.157991  
1 1 1 45 21 25 o 1.90674  0.208812  3.7566       0.796303 4.06541      1.13237  3.45448      1.12002  1.95462  0.289664  1.76434  0.32964   
1 1 1 45 21 26 o 2.88493  0.141878  8.46917      0.818614 7.97866      1.13299  9.00493      1.18409  2.77477  0.204159  2.94955  0.200724  
1 1 1 45 21 27 o 1.66905  0.240621  2.94467      0.803217 2.17255      1.10127  3.82223      1.17406  1.35366  0.387146  1.83803  0.331493  
1 1 1 45 21 28 o 0.853193 0.334078  0.625512     0.827608 1.46335      1.12237  -0.372909    1.22521  1.12551  0.398053  0.779415 0.354998  
1 1 1 45 21 29 o 2.7777   0.155169  7.9586       0.862028 8.30318      1.1995   7.59055      1.23968  2.79836  0.214321  2.66196  0.232851  
1 1 1 45 21 30 o 1.94653  0.222271  4.08207      0.865316 4.53198      1.16754  3.53374      1.28893  1.99919  0.292003  1.66405  0.393072  
1 1 1 45 21 31 f 2.02511  0.216196  4.45844      0.87564  4.28105      1.26112  4.62357      1.21676  1.85171  0.3532    1.98415  0.306619  
1 1 1 45 21 32 o 2.4346   0.196984  6.43998      0.959157 4.38202      1.37412  8.39541      1.33945  1.78928  0.394589  2.71946  0.246272  
1 1 1 45 21 33 o 0.995088 0.369056  1.40549      0.976431 1.88465      1.36375  0.901471     1.39868  1.08051  0.427158  0.904374 0.398456  
1 1 1 45 21 34 o 0.715721 0.323801  0.266436     0.991367 -0.18519     1.35682  0.783672     1.45203  0.72534  0.344702  0.84728  0.386057  
1 1 1 45 21 35 o 1.10191  0.383759  2.16528      1.03973  2.43876      1.5278   1.92937      1.41902  1.03193  0.434407  0.963449 0.41259   
1 1 1 45 21 36 o 0.779351 0.358628  1.1855       1.29337  -0.206036    1.86442  2.47638      1.79572  0.684217 0.340831  0.873645 0.409307  
1 1 1 45 22 0  o 4.60283  0.117313  21.256       1.07836  21.256       1.07836  21.256       1.07836  4.60664  0.0828229 ?        ?         
1 1 1 45 22 1  o 8.09528  0.0783629 65.6131      1.26874  66.5675      1.76913  64.6024      1.82051  8.14943  0.108543  8.02739  0.113394  
1 1 1 45 22 2  o 1.82771  0.143318  3.35416      0.523888 2.93257      0.703767 3.87813      0.784582 1.70529  0.206348  1.96153  0.199992  
1 1 1 45 22 3  o 5.14376  0.0682856 26.483       0.70249  26.4112      0.95848  26.5664      1.0326   5.13471  0.0933333 5.14908  0.10027   
1 1 1 45 22 4  o 8.57397  0.0822148 73.6141      1.40981  74.0584      1.97708  73.1544      2.01091  8.59421  0.115024  8.54106  0.11772   
1 1 1 45 22 5  o 3.16192  0.10048   10.0186      0.635417 11.1608      0.890272 8.83261      0.907196 3.33467  0.133487  2.96484  0.152992  
1 1 1 45 22 6  o 1.132    0.252956  1.3494       0.558135 1.31231      0.788034 1.38674      0.790617 1.12266  0.329591  1.14981  0.327768  
1 1 1 45 22 7  o 4.5469   0.0800181 20.7034      0.727668 20.379       1.03703  21.018       1.02131  4.5078   0.115026  4.57832  0.111538  
1 1 1 45 22 8  o 3.07833  0.102589  9.4991       0.631608 9.98814      0.890251 9.00346      0.896236 3.1532   0.141166  2.99288  0.149728  
1 1 1 45 22 9  o 0.961136 0.283623  0.957006     0.582102 1.20828      0.821036 0.703047     0.825415 1.08638  0.340304  0.921635 0.339802  
1 1 1 45 22 10 o 0.715683 0.283607  0.292409     0.602483 0.303169     0.84226  0.281135     0.862169 0.815198 0.330582  0.817497 0.333438  
1 1 1 45 22 11 o 5.58428  0.0822733 31.2431      0.918874 31.9397      1.29972  30.547       1.29924  5.64117  0.1152    5.51635  0.117763  
1 1 1 45 22 12 o 1.85197  0.171145  3.45931      0.633913 3.4373       0.894808 3.48149      0.898177 1.83817  0.243396  1.85004  0.242746  
1 1 1 45 22 13 o 1.49208  0.219132  2.25951      0.653926 2.40441      0.909351 2.10434      0.941045 1.50135  0.313108  1.39856  0.339394  
1 1 1 45 22 14 o 2.94757  0.112319  8.72473      0.66214  7.86621      0.916537 9.66196      0.957627 2.79202  0.164135  3.0959   0.154661  
1 1 1 45 22 15 o 1.48666  0.210111  2.24539      0.624726 1.58633      0.891952 2.88004      0.875277 1.21663  0.348565  1.67646  0.261049  
1 1 1 45 22 16 o 1.99323  0.16247   4.01041      0.647679 4.757        0.926957 3.29824      0.905338 2.1632   0.214256  1.79563  0.252095  
1 1 1 45 22 17 o 2.99691  0.111112  9.02498      0.665987 7.57087      0.969326 10.3252      0.916582 2.73472  0.177226  3.20043  0.143197  
1 1 1 45 22 18 o 1.95406  0.154054  3.8549       0.602059 3.4889       0.890165 4.16348      0.817365 1.84608  0.241097  2.02368  0.201951  
1 1 1 45 22 19 o 3.47876  0.107552  12.1713      0.748296 10.7997      1.0737   13.4667      1.04345  3.26461  0.164446  3.65138  0.142884  
1 1 1 45 22 20 o 1.92534  0.188225  3.77552      0.724795 3.44304      1.09912  4.03134      0.964126 1.785    0.31942   1.97729  0.243799  
1 1 1 45 22 21 o 1.76892  0.200831  3.20205      0.710509 3.0131       1.01845  3.38122      0.991708 1.6644   0.317344  1.79962  0.275533  
1 1 1 45 22 22 o 0.991808 0.309955  1.04578      0.681651 0.936842     0.961588 1.15582      0.966431 1.00106  0.366987  1.06529  0.370082  
1 1 1 45 22 23 o 2.02709  0.183385  4.20383      0.743477 3.9275       1.0283   4.50652      1.07621  1.93553  0.265636  2.07558  0.259256  
1 1 1 45 22 24 o 1.69445  0.230822  2.98636      0.782233 3.10578      1.10415  2.86602      1.10835  1.66509  0.343288  1.59152  0.357038  
1 1 1 45 22 25 o 3.37421  0.130204  11.5392      0.878673 11.5413      1.25543  11.5371      1.23022  3.35071  0.187338  3.35194  0.183508  
1 1 1 45 22 26 o 3.68061  0.119415  13.7177      0.87904  13.6573      1.22569  13.7818      1.26137  3.65022  0.167893  3.66455  0.172105  
1 1 1 45 22 27 o 0.998728 0.336766  1.09927      0.797945 1.88474      1.10228  0.234474     1.15661  1.25451  0.394571  0.859878 0.370477  
1 1 1 45 22 28 o 2.39437  0.177455  5.95659      0.849786 6.77992      1.16272  5.01254      1.24506  2.52223  0.230495  2.12907  0.292394  
1 1 1 45 22 29 o 2.44314  0.173046  6.22205      0.845552 6.73223      1.14423  5.6083       1.25502  2.50375  0.228503  2.24739  0.279217  
1 1 1 45 22 30 o 0.776089 0.323804  0.404766     0.836733 0.333678     1.14384  0.486591     1.22719  0.83703  0.364614  0.881452 0.380714  
1 1 1 45 22 31 o 0.65092  0.294699  -0.147451    0.822654 0.141357     1.12438  -0.480152    1.2068   0.788867 0.351283  0.723514 0.338073  
1 1 1 45 22 32 o 0.833041 0.34506   0.708597     0.939562 -0.122444    1.3193   1.56385      1.33839  0.76891  0.357029  1.03878  0.418582  
1 1 1 45 22 33 o 0.979229 0.377211  1.38839      1.04619  0.109622     1.47744  2.67446      1.48165  0.803999 0.375053  1.22338  0.454437  
1 1 1 45 22 34 o 0.823396 0.352015  0.936896     1.02986  -0.862576    1.41264  2.97818      1.50457  0.659977 0.322518  1.1724   0.452207  
1 1 1 45 22 35 o 1.11571  0.3898    2.26428      1.07344  3.13458      1.63034  1.59827      1.42621  1.12538  0.458686  0.909036 0.401193  
1 1 1 45 23 0  o 6.23639  0.104029  38.9688      1.29672  38.9688      1.29672  38.9688      1.29672  6.23946  0.0735002 ?        ?         
1 1 1 45 23 1  o 0.812905 0.273657  0.628997     0.526902 0.943744     0.740911 0.306939     0.749466 0.982107 0.324507  0.782588 0.314108  
1 1 1 45 23 2  o 5.1865   0.0767661 26.933       0.796295 26.722       1.16358  27.1189      1.09208  5.16252  0.112695  5.20162  0.104975  
1 1 1 45 23 3  o 1.4983   0.130439  2.253        0.390873 1.93482      0.50664  2.72086      0.614361 1.38613  0.182754  1.64348  0.186908  
1 1 1 45 23 4  o 2.21014  0.132384  4.90324      0.585176 5.38389      0.843165 4.45657      0.812799 2.31209  0.182338  2.10265  0.19328   
1 1 1 45 23 5  o 5.35643  0.0796164 28.7317      0.852919 29.1379      1.19551  28.3107      1.2172   5.39063  0.110888  5.31308  0.114547  
1 1 1 45 23 6  o 3.59545  0.094703  12.954       0.681    13.0129      0.959163 12.894       0.967045 3.60002  0.133216  3.58335  0.134936  
1 1 1 45 23 7  o 3.21302  0.103851  10.3502      0.667351 10.5944      0.942203 10.1043      0.945358 3.24672  0.145101  3.17029  0.149096  
1 1 1 45 23 8  o 3.02092  0.109908  9.15391      0.664046 8.59481      0.921069 9.75905      0.958238 2.92255  0.15758   3.11466  0.153827  
1 1 1 45 23 9  o 3.35914  0.102485  11.3158      0.68852  10.0893      0.968469 12.5692      0.979045 3.16646  0.152926  3.53625  0.13843   
1 1 1 45 23 10 o 4.22802  0.0904129 17.9176      0.764535 17.7394      1.08237  18.095       1.08007  4.20203  0.128791  4.24417  0.127241  
1 1 1 45 23 11 o 3.18913  0.110817  10.2076      0.70682  10.5001      1.00551  9.92194      0.993778 3.22886  0.155707  3.13833  0.158329  
1 1 1 45 23 12 o 1.86489  0.166849  3.50806      0.62231  4.78952      0.908431 2.37497      0.854226 2.17362  0.208968  1.4964   0.295958  
1 1 1 45 23 13 o 1.68042  0.177898  2.85368      0.597888 2.35933      0.813477 3.43447      0.881723 1.49311  0.282685  1.83542  0.240197  
1 1 1 45 23 14 o 3.99587  0.0936694 16.0176      0.748582 16.5459      1.06716  15.5058      1.05035  4.05494  0.131588  3.92501  0.133802  
1 1 1 45 23 15 o 3.07325  0.11731   9.49135      0.721046 9.8599       1.06082  9.17487      0.983043 3.12382  0.169795  3.01457  0.163049  
1 1 1 45 23 16 o 0.692835 0.283393  0.195749     0.624558 0.203937     0.916266 0.188642     0.853579 0.814077 0.339197  0.78665  0.327554  
1 1 1 45 23 17 o 1.87323  0.178949  3.5541       0.670423 3.07056      0.912603 4.121        0.988137 1.72806  0.264055  2.00551  0.246356  
1 1 1 45 23 18 o 3.72231  0.0951118 13.9149      0.70807  12.6442      0.998995 15.1976      1.00375  3.53929  0.141129  3.88315  0.129244  
1 1 1 45 23 19 o 1.41713  0.230843  2.06265      0.654268 1.88878      0.985185 2.19984      0.875115 1.30952  0.363519  1.42174  0.31605   
1 1 1 45 23 20 o 4.10116  0.104716  16.9244      0.858916 16.9128      1.22105  16.9357      1.20843  4.08654  0.149399  4.08988  0.147734  
1 1 1 45 23 21 o 4.27639  0.101658  18.4012      0.869464 19.3868      1.23637  17.4368      1.22296  4.37676  0.141242  4.14862  0.147393  
1 1 1 45 23 22 o 1.99563  0.17925   4.06635      0.715435 3.32927      0.990792 4.86935      1.03416  1.77983  0.27834   2.16643  0.238678  
1 1 1 45 23 23 o 0.939417 0.321731  0.90178      0.72829  2.33258      1.0205   -0.583293    1.03968  1.43432  0.356778  0.704502 0.323072  
1 1 1 45 23 24 f 1.60909  0.24635   2.70946      0.7928   2.97586      1.08376  2.40279      1.16279  1.62737  0.343636  1.44106  0.392787  
1 1 1 45 23 25 o 0.648251 0.291002  -0.251277    0.785543 -0.0633896   1.08031  -0.462082    1.1443   0.796177 0.350505  0.7552   0.343729  
1 1 1 45 23 26 o 2.55395  0.166288  6.70187      0.849381 6.52354      1.17021  6.90044      1.2348   2.48701  0.235265  2.55416  0.241723  
1 1 1 45 23 27 o 1.59205  0.25877   2.73499      0.823948 3.16933      1.13938  2.25884      1.19295  1.63704  0.357855  1.35196  0.407577  
1 1 1 45 23 28 o 5.25984  0.106171  28.0717      1.11689  31.1811      1.58131  24.9763      1.57772  5.51041  0.143484  4.91564  0.16048   
1 1 1 45 23 29 o 0.975827 0.341876  1.10004      0.826205 2.6071       1.15273  -0.492       1.18479  1.42483  0.392295  0.733253 0.339652  
1 1 1 45 23 30 o 1.21249  0.338513  1.84709      0.851905 2.05043      1.16492  1.61332      1.24903  1.2275   0.406901  1.10799  0.416111  
1 1 1 45 23 31 o 0.84356  0.33382   0.750013     0.833646 1.09676      1.1171   0.314194     1.25238  0.958696 0.384027  0.832201 0.370654  
1 1 1 45 23 32 o 0.799941 0.33629   0.62568      0.913523 0.468175     1.22916  0.820029     1.36538  0.820811 0.366346  0.891737 0.393182  
1 1 1 45 23 33 o 1.38987  0.360906  2.79742      1.01194  2.82867      1.50801  2.77182      1.36487  1.21787  0.457252  1.24436  0.439069  
1 1 1 45 23 34 o 0.786432 0.347138  0.80194      1.06836  0.394825     1.57641  1.14776      1.45291  0.773086 0.368897  0.848631 0.386538  
1 1 1 45 23 35 o 0.759362 0.344045  0.809153     1.12322  0.949253     1.77549  0.715669     1.45033  0.789246 0.380151  0.759426 0.358759  
1 1 1 45 24 0  o 2.74493  0.161169  7.63391      0.877814 7.63391      0.877814 7.63391      0.877814 2.75406  0.113124  ?        ?         
1 1 1 45 24 1  o 11.7399  0.096128  138.111      2.25706  138.263      3.22738  137.966      3.15768  11.7337  0.137527  11.7221  0.13469   
1 1 1 45 24 2  o 10.7346  0.0892999 115.441      1.9172   112.893      2.65517  118.216      2.77121  10.6063  0.125169  10.8527  0.127674  
1 1 1 45 24 3  o 5.05351  0.0663666 25.5639      0.670769 24.5347      0.939088 26.636       0.958428 4.94812  0.0948933 5.15588  0.0929452 
1 1 1 45 24 4  o 1.7041   0.158081  2.92109      0.538771 2.89292      0.781745 2.94658      0.743562 1.69023  0.231254  1.70703  0.217794  
1 1 1 45 24 5  o 2.11135  0.134731  4.47753      0.568931 4.14677      0.82453  4.77811      0.78603  2.02618  0.203469  2.17728  0.180508  
1 1 1 45 24 6  o 3.49313  0.0930236 12.2288      0.649888 12.6187      0.954902 11.8923      0.887008 3.54416  0.134715  3.44131  0.128876  
1 1 1 45 24 7  o 4.51205  0.0837565 20.3966      0.755826 18.2612      1.05177  22.677       1.08689  4.26475  0.12331   4.75383  0.114318  
1 1 1 45 24 8  o 0.952441 0.286129  0.938155     0.588621 -0.535234    0.860407 2.2344       0.807027 0.650952 0.296756  1.45443  0.287673  
1 1 1 45 24 9  o 4.44302  0.0859725 19.7826      0.763954 18.9493      1.08796  20.5931      1.07298  4.34331  0.125246  4.52884  0.118461  
1 1 1 45 24 10 o 3.2697   0.101034  10.7239      0.660706 10.5577      0.935631 10.8892      0.933131 3.2391   0.144427  3.28994  0.141816  
1 1 1 45 24 11 o 3.45733  0.0972151 11.9889      0.67221  12.9131      0.991481 11.2026      0.914479 3.58254  0.138377  3.33704  0.137019  
1 1 1 45 24 12 o 4.45754  0.0886788 19.9224      0.790578 19.2903      1.10149  20.594       1.13537  4.38027  0.125733  4.52593  0.12543   
1 1 1 45 24 13 o 3.18091  0.109805  10.1623      0.698563 10.6948      0.970917 9.59076      1.00584  3.25718  0.149042  3.08204  0.163178  
1 1 1 45 24 14 o 0.628331 0.268878  -0.00398401  0.601862 1.57662      0.83902  -1.67951     0.863844 1.21194  0.335126  0.508398 0.249397  
1 1 1 45 24 15 o 4.73643  0.101028  22.5215      0.957023 21.6753      1.34222  23.3966      1.36493  4.63704  0.144728  4.81846  0.141636  
1 1 1 45 24 16 o 2.54646  0.136384  6.53272      0.69459  6.44585      0.981711 6.61979      0.982887 2.51966  0.19481   2.5539   0.192429  
1 1 1 45 24 17 o 1.79019  0.181125  3.25247      0.648495 4.3823       0.887466 1.95797      0.949939 2.07192  0.214165  1.33779  0.350745  
1 1 1 45 24 18 o 3.69174  0.110401  13.7128      0.815145 15.5752      1.21007  12.1655      1.10294  3.92312  0.154222  3.46588  0.159115  
1 1 1 45 24 19 o 3.50222  0.111455  12.3496      0.78068  11.6039      1.11471  13.0675      1.09369  3.38109  0.164845  3.59191  0.152243  
1 1 1 45 24 20 o 5.27925  0.106256  28.0559      1.12191  24.3844      1.54957  32.1008      1.62645  4.90208  0.158052  5.63123  0.144414  
1 1 1 45 24 21 o 3.19135  0.121826  10.2804      0.777578 10.4224      1.09267  10.1348      1.10678  3.19868  0.170801  3.15262  0.175534  
1 1 1 45 24 22 o 0.982535 0.314015  1.02839      0.695784 0.655026     0.954361 1.45201      1.01655  0.91763  0.358865  1.1544   0.380108  
1 1 1 45 24 23 o 5.20377  0.100289  27.2854      1.04377  24.9752      1.42814  29.9343      1.52926  4.9587   0.144004  5.43058  0.1408    
1 1 1 45 24 24 o 2.34161  0.173112  5.61782      0.810721 4.63228      1.10804  6.75329      1.18934  2.09309  0.26469   2.5424   0.233901  
1 1 1 45 24 25 o 1.66356  0.238646  2.90887      0.794004 2.98906      1.10061  2.82184      1.14659  1.61651  0.350296  1.55805  0.372463  
1 1 1 45 24 26 o 4.51554  0.113341  20.6787      1.02359  21.3643      1.46619  20.0269      1.42965  4.55747  0.160856  4.41161  0.162033  
1 1 1 45 24 27 o 1.5482   0.255756  2.59133      0.791922 3.72144      1.13863  1.53247      1.10215  1.79338  0.329795  1.13873  0.395252  
1 1 1 45 24 28 o 1.66507  0.2443    3.00598      0.813551 2.36192      1.12265  3.71826      1.18061  1.36845  0.39073   1.76584  0.346648  
1 1 1 45 24 29 o 1.20569  0.334112  1.79129      0.832954 1.91118      1.14114  1.65458      1.21863  1.20309  0.402727  1.1309   0.413276  
1 1 1 45 24 30 o 1.82978  0.226159  3.6772       0.82764  3.68834      1.09846  3.66258      1.25877  1.73492  0.328512  1.67056  0.38448   
1 1 1 45 24 31 o 1.24585  0.343493  2.06802      0.883019 1.82047      1.22237  2.33817      1.27697  1.10814  0.412539  1.23138  0.425633  
1 1 1 45 24 32 o 1.25621  0.376745  2.31435      1.02107  0.617113     1.43583  4.05082      1.45234  0.863246 0.390159  1.58845  0.441508  
1 1 1 45 24 33 o 1.1774   0.374514  2.25124      0.990578 3.08432      1.45058  1.52327      1.35598  1.22864  0.450709  0.934847 0.40193   
1 1 1 45 24 34 o 0.621006 0.297143  -0.382117    1.04085  1.32383      1.65231  -1.50444     1.34019  0.874921 0.403677  0.594057 0.294949  
1 1 1 45 24 35 o 0.520269 0.261795  -1.79533     1.22536  -2.63858     1.75844  -0.999315    1.70848  0.569641 0.290125  0.631741 0.315871  
1 1 1 45 25 0  o 4.30439  0.11574   18.5985      0.994756 18.5985      0.994756 18.5985      0.994756 4.30851  0.0816953 ?        ?         
1 1 1 45 25 1  o 2.41842  0.108927  5.86596      0.526863 5.88218      0.756537 5.85069      0.734161 2.41801  0.156438  2.41192  0.152194  
1 1 1 45 25 2  f 4.8029   0.0713794 23.0973      0.685656 22.0969      0.979745 24.0575      0.959887 4.69435  0.104354  4.89897  0.0979682 
1 1 1 45 25 3  o 1.81031  0.154132  3.29712      0.558055 3.12238      0.837984 3.43636      0.748067 1.75435  0.238831  1.84412  0.202825  
1 1 1 45 25 4  o 2.70518  0.10659   7.33982      0.576693 7.79633      0.854936 6.95868      0.78118  2.78365  0.153564  2.63038  0.148492  
1 1 1 45 25 5  o 3.71183  0.0894266 13.8076      0.663872 13.0589      0.948755 14.5257      0.929262 3.60533  0.131577  3.80364  0.122154  
1 1 1 45 25 6  o 3.0916   0.0989724 9.58417      0.611967 9.35485      0.879647 9.79926      0.851923 3.0498   0.144214  3.12234  0.136424  
1 1 1 45 25 7  o 2.08059  0.143726  4.35456      0.598072 4.98545      0.846785 3.72659      0.844821 2.22133  0.190603  1.91721  0.220325  
1 1 1 45 25 8  o 5.32619  0.0830415 28.4264      0.884589 28.2472      1.25017  28.6061      1.25183  5.30395  0.117853  5.33764  0.117264  
1 1 1 45 25 9  o 1.26454  0.238368  1.67797      0.580783 2.96223      0.856167 0.583268     0.790464 1.70455  0.251141  0.871933 0.330117  
1 1 1 45 25 10 o 3.91842  0.0913854 15.3953      0.716173 13.6763      1.01994  17.0672      1.00585  3.68663  0.138329  4.12123  0.122033  
1 1 1 45 25 11 o 3.76441  0.0968582 14.2165      0.729228 13.7874      1.03641  14.6374      1.02623  3.70055  0.140034  3.81391  0.134538  
1 1 1 45 25 12 o 3.13216  0.107516  9.85133      0.673513 11.1908      0.934389 8.40281      0.97169  3.33341  0.140155  2.88395  0.168465  
1 1 1 45 25 13 o 0.889431 0.292448  0.786628     0.601747 0.901467     0.820764 0.653158     0.884842 0.975963 0.340861  0.917836 0.348748  
1 1 1 45 25 14 o 2.01228  0.155635  4.08684      0.626359 4.78811      0.856815 3.28191      0.917954 2.172    0.197241  1.78912  0.256538  
1 1 1 45 25 15 o 4.39895  0.101831  19.431       0.895896 16.8923      1.30739  21.6784      1.23011  4.08905  0.159865  4.63963  0.132565  
1 1 1 45 25 16 o 2.9132   0.120721  8.5415       0.703369 9.21196      0.961097 7.76828      1.03213  3.01817  0.159218  2.76586  0.186583  
1 1 1 45 25 17 o 0.761115 0.297984  0.391537     0.658393 0.920595     0.886748 -0.258434    0.98287  0.988419 0.353384  0.743102 0.329846  
1 1 1 45 25 18 o 1.79592  0.201002  3.29536      0.721968 3.44967      0.984997 3.11622      1.0613   1.82178  0.270339  1.69352  0.324933  
1 1 1 45 25 19 o 1.98117  0.160242  3.98369      0.634934 4.01589      0.957948 3.95846      0.847945 1.97031  0.243096  1.96307  0.215974  
1 1 1 45 25 20 o 1.98685  0.171436  4.0193       0.681234 4.15532      0.985438 3.89479      0.942797 2.00095  0.246243  1.93806  0.243232  
1 1 1 45 25 21 o 1.76417  0.198516  3.19555      0.700431 3.42943      1.02106  2.98767      0.96264  1.80344  0.283086  1.65621  0.301791  
1 1 1 45 25 22 o 1.71264  0.208541  3.02878      0.714308 2.97866      1.03084  3.07508      0.990726 1.63861  0.326118  1.67371  0.307459  
1 1 1 45 25 23 f 1.35281  0.283329  2.00616      0.741907 1.08339      1.02692  3.01364      1.07303  1.04373  0.379579  1.64033  0.338626  
1 1 1 45 25 24 o 6.14654  0.100807  38.1172      1.23923  40.6396      1.78217  35.7558      1.72434  6.32002  0.140994  5.9248   0.145519  
1 1 1 45 25 25 o 1.43861  0.275081  2.28752      0.7632   1.83247      1.05518  2.78674      1.10521  1.24715  0.384816  1.54287  0.363684  
1 1 1 45 25 26 o 3.69731  0.12378   13.9201      0.915306 13.6906      1.29232  14.1511      1.29656  3.6323   0.177893  3.69471  0.175462  
1 1 1 45 25 27 o 1.36635  0.29875   2.14741      0.793923 3.43391      1.13141  0.899438     1.11434  1.70544  0.343764  0.972129 0.385554  
1 1 1 45 25 28 o 1.00011  0.34253   1.17388      0.825494 0.894923     1.11501  1.51223      1.228    0.954505 0.38312   1.11039  0.413466  
1 1 1 45 25 29 o 1.87422  0.224821  3.83988      0.842729 3.53499      1.12294  4.23301      1.27511  1.68823  0.344502  1.83539  0.360208  
1 1 1 45 25 30 o 0.718701 0.310489  0.239951     0.816567 -0.0466471   1.12299  0.561483     1.18947  0.751499 0.341635  0.863556 0.373924  
1 1 1 45 25 31 o 1.57448  0.324234  3.21339      0.986059 3.8297       1.41345  2.62906      1.37628  1.56478  0.435762  1.25792  0.441193  
1 1 1 45 25 32 f 1.01363  0.367572  1.51659      0.962377 1.22882      1.38626  1.7843       1.33709  0.938337 0.404952  1.0416   0.418934  
1 1 1 45 25 33 o 0.975336 0.377353  1.6747       1.04937  1.49171      1.62919  1.80445      1.37183  0.897194 0.408835  0.957361 0.407685  
1 1 1 45 25 34 o 0.884252 0.363538  1.37436      1.033    1.03935      1.56365  1.63379      1.37604  0.817784 0.382923  0.899224 0.395726  
1 1 1 45 26 0  o 2.20212  0.179158  4.96576      0.77704  4.96576      0.77704  4.96576      0.77704  2.21558  0.124905  ?        ?         
1 1 1 45 26 1  o 4.25467  0.0749141 18.1303      0.637469 17.7032      0.894604 18.5708      0.908594 4.20101  0.106475  4.30283  0.105581  
1 1 1 45 26 2  o 1.6793   0.139192  2.83522      0.467489 2.48897      0.636732 3.24014      0.688566 1.56878  0.202939  1.79095  0.192235  
1 1 1 45 26 3  o 2.25147  0.128401  5.09261      0.578182 4.45734      0.863335 5.60924      0.778566 2.09892  0.205662  2.35946  0.164988  
1 1 1 45 26 4  o 5.84544  0.0776184 34.2279      0.907428 34.6758      1.34014  33.8487      1.23312  5.87782  0.114     5.80871  0.106144  
1 1 1 45 26 5  o 1.98241  0.146266  3.9544       0.579919 4.7698       0.853729 3.25582      0.790208 2.17191  0.196539  1.79185  0.2205    
1 1 1 45 26 6  o 3.48093  0.0948841 12.1494      0.66057  11.6242      0.952417 12.6362      0.916965 3.39955  0.14008   3.54597  0.129297  
1 1 1 45 26 7  o 3.40647  0.0984059 11.6385      0.670434 12.0446      0.95932  11.2508      0.937335 3.46033  0.138617  3.34415  0.140146  
1 1 1 45 26 8  o 5.28484  0.0816476 27.9886      0.862988 28.6444      1.23208  27.357       1.20914  5.34066  0.115349  5.21917  0.115837  
1 1 1 45 26 9  o 2.64328  0.118128  7.01936      0.624491 5.72335      0.883141 8.3155       0.883188 2.37858  0.185644  2.87225  0.153745  
1 1 1 45 26 10 o 1.61336  0.190645  2.6364       0.615158 1.79605      0.87429  3.46031      0.865702 1.29056  0.335623  1.84217  0.234968  
1 1 1 45 26 11 o 1.59389  0.184449  2.57158      0.587983 3.22416      0.773123 1.67627      0.90556  1.78045  0.217114  1.24831  0.349172  
1 1 1 45 26 12 o 3.59669  0.0983645 12.9811      0.707573 13.7368      0.984112 12.1724      1.01807  3.69445  0.133188  3.47539  0.146469  
1 1 1 45 26 13 o 3.20245  0.10431   10.2987      0.668096 10.5327      0.907577 10.022       0.987084 3.23312  0.140356  3.15084  0.156638  
1 1 1 45 26 14 o 2.22239  0.145804  4.98099      0.648065 4.41984      0.906242 5.56829      0.92712  2.08259  0.217576  2.34132  0.197991  
1 1 1 45 26 15 o 2.11736  0.161425  4.53446      0.683587 4.80734      0.993078 4.28873      0.94239  2.16764  0.229069  2.04716  0.23017   
1 1 1 45 26 16 o 0.744983 0.293654  0.357626     0.642764 0.640767     0.896743 0.0584515    0.921784 0.909817 0.349511  0.779329 0.3331    
1 1 1 45 26 17 o 2.97968  0.128265  8.95565      0.764379 9.80891      1.04689  7.98137      1.11866  3.10867  0.168383  2.79566  0.200072  
1 1 1 45 26 18 o 2.98966  0.127823  9.02227      0.764296 9.47625      1.03161  8.46987      1.13795  3.05326  0.168936  2.87796  0.197701  
1 1 1 45 26 19 o 1.27447  0.234945  1.72724      0.576394 1.63481      0.910394 1.78908      0.744647 1.21658  0.353328  1.27993  0.296476  
1 1 1 45 26 20 o 1.20787  0.275079  1.5873       0.649864 1.33343      0.953827 1.80725      0.887812 1.11577  0.368194  1.27323  0.341514  
1 1 1 45 26 21 o 3.7813   0.107259  14.4206      0.81116  14.4723      1.15051  14.3696      1.14382  3.77188  0.152512  3.75861  0.15216   
1 1 1 45 26 22 o 0.704856 0.295225  0.162132     0.699735 -0.297111    1.0024   0.598594     0.977225 0.732938 0.328879  0.906702 0.360598  
1 1 1 45 26 23 o 3.33434  0.126034  11.2695      0.840477 10.9761      1.15745  11.5969      1.22244  3.26945  0.17701   3.35812  0.182012  
1 1 1 45 26 24 o 1.05464  0.325069  1.24179      0.753231 1.27233      1.0589   1.2105       1.07168  1.08783  0.386442  1.07263  0.38799   
1 1 1 45 26 25 o 0.880903 0.32523   0.763475     0.756577 0.879908     1.03665  0.630771     1.10671  0.965837 0.374773  0.922874 0.377323  
1 1 1 45 26 26 o 0.748499 0.315192  0.249518     0.80472  -0.519947    1.09776  1.14331      1.18313  0.714226 0.329344  1.04333  0.401297  
1 1 1 45 26 27 o 0.68028  0.301123  -0.0526556   0.811545 -0.707405    1.11996  0.671227     1.1776   0.689937 0.32324   0.926699 0.38523   
1 1 1 45 26 28 o 2.00161  0.212676  4.3157       0.851386 5.66424      1.15176  2.69111      1.26416  2.25714  0.255137  1.40811  0.418573  
1 1 1 45 26 29 o 0.772769 0.322542  0.432771     0.830716 0.808414     1.14079  0.0087197    1.21207  0.91501  0.37969   0.790762 0.357877  
1 1 1 45 26 30 o 1.07191  0.355251  1.55633      0.887948 1.22953      1.18978  1.9672       1.33407  0.974506 0.393842  1.13445  0.42905   
1 1 1 45 26 31 o 1.39971  0.361874  2.75244      1.02022  2.82511      1.44571  2.68036      1.43992  1.27384  0.45164   1.24148  0.44967   
1 1 1 45 26 32 o 1.98313  0.262693  4.90565      1.0419   4.91378      1.58981  4.89952      1.37943  1.62009  0.46575   1.75923  0.400857  
1 1 1 45 26 33 o 0.710694 0.327014  0.304279     1.0752   0.420701     1.59749  0.207863     1.45378  0.778471 0.37144   0.745652 0.355438  
1 1 1 45 26 34 o 0.563777 0.276616  -0.660779    1.06354  -1.51855     1.51655  0.169336     1.4919   0.582235 0.292965  0.681695 0.332772  
1 1 1 45 27 0  o 0.642962 0.36525   0.567666     0.71885  0.567666     0.71885  0.567666     0.71885  0.616985 0.320766  ?        ?         
1 1 1 45 27 1  o 7.3076   0.0747806 53.489       1.09293  52.6313      1.55845  54.3192      1.53314  7.24247  0.107591  7.35847  0.104175  
1 1 1 45 27 2  o 4.23265  0.0722079 17.943       0.611261 18.1584      0.874986 17.7377      0.854292 4.25463  0.102827  4.20522  0.101575  
1 1 1 45 27 3  o 4.72452  0.0828653 22.3671      0.782997 22.7576      1.15194  22.0316      1.06752  4.76009  0.121     4.6847   0.113937  
1 1 1 45 27 4  o 3.14033  0.0984162 9.89081      0.618119 9.52269      0.894777 10.2268      0.854892 3.07598  0.145446  3.18922  0.134028  
1 1 1 45 27 5  o 3.52242  0.0954787 12.4426      0.672632 12.4285      0.946294 12.4571      0.956276 3.51547  0.13459   3.51931  0.135861  
1 1 1 45 27 6  o 1.49558  0.192007  2.26307      0.574325 2.56537      0.829994 1.98535      0.795537 1.58422  0.261956  1.3638   0.299792  
1 1 1 45 27 7  o 4.12571  0.0866342 17.0637      0.714855 16.4867      0.99771  17.6725      1.02475  4.05009  0.123171  4.19339  0.122186  
1 1 1 45 27 8  o 4.58612  0.0860542 21.0866      0.78931  20.8716      1.09443  21.3196      1.13944  4.55706  0.120081  4.60499  0.123718  
1 1 1 45 27 9  o 0.562882 0.250173  -0.198087    0.567824 -0.250185    0.797282 -0.14446     0.808894 0.669228 0.297064  0.695802 0.30482   
1 1 1 45 27 10 o 1.32167  0.242105  1.8368       0.616123 3.53309      0.865427 0.0934406    0.877353 1.86155  0.232448  0.775287 0.327916  
1 1 1 45 27 11 o 3.45462  0.098657  11.977       0.681644 11.6675      0.898814 12.3959      1.04577  3.40483  0.131991  3.50641  0.149123  
1 1 1 45 27 12 o 4.32908  0.0908124 18.8015      0.786268 18.5147      1.05763  19.1559      1.17561  4.29011  0.123263  4.36124  0.134779  
1 1 1 45 27 13 o 1.6909   0.176989  2.89502      0.598541 3.07244      0.801617 2.67147      0.899792 1.73423  0.231117  1.58358  0.295096  
1 1 1 45 27 14 o 1.58085  0.198775  2.54271      0.628467 2.60581      0.880865 2.47728      0.896925 1.56189  0.2928    1.51814  0.306137  
1 1 1 45 27 15 o 3.88     0.101621  15.1322      0.788578 14.4938      1.1058   15.7929      1.12488  3.78703  0.145998  3.95417  0.14224   
1 1 1 45 27 16 o 0.729553 0.297628  0.246491     0.687068 1.30434      0.928371 -1.03458     1.02163  1.11363  0.363247  0.644257 0.303362  
1 1 1 45 27 17 o 3.88904  0.118314  15.2459      0.920254 15.6467      1.27827  14.8147      1.32591  3.92578  0.162804  3.81601  0.17373   
1 1 1 45 27 18 o 1.81228  0.19691   3.36095      0.713713 3.18462      1.01059  3.53641      1.00809  1.71461  0.305686  1.83929  0.274044  
1 1 1 45 27 19 o 3.11656  0.131977  9.82225      0.822627 9.51724      1.12686  10.1703      1.20367  3.05136  0.184649  3.15194  0.190942  
1 1 1 45 27 20 f 0.993451 0.291629  1.07074      0.616987 0.926712     0.916498 1.19012      0.834374 0.983184 0.358489  1.05382  0.344367  
1 1 1 45 27 21 o 0.70169  0.291227  0.193341     0.671341 -0.040109    0.948753 0.427448     0.950086 0.758792 0.331285  0.858102 0.350017  
1 1 1 45 27 22 o 0.853725 0.314917  0.66855      0.709038 1.27278      1.02756  0.119392     0.979618 1.09407  0.381461  0.79852  0.342413  
1 1 1 45 27 23 o 0.956281 0.325686  0.96123      0.746302 0.325158     1.07147  1.56059      1.04009  0.865263 0.363998  1.1746   0.384483  
1 1 1 45 27 24 o 1.05604  0.325041  1.26309      0.75346  1.37679      1.07982  1.1552       1.05184  1.10891  0.390611  1.04582  0.383781  
1 1 1 45 27 25 o 1.19394  0.314707  1.6541       0.762187 1.86996      1.05223  1.41582      1.10553  1.24188  0.384498  1.10906  0.394772  
1 1 1 45 27 26 o 0.939623 0.330851  0.967384     0.774618 0.178421     1.05049  1.90762      1.14678  0.806267 0.350291  1.23688  0.403722  
1 1 1 45 27 27 o 1.33069  0.312746  2.10575      0.819188 2.10707      1.16857  2.10446      1.1487   1.26948  0.407073  1.27085  0.403203  
1 1 1 45 27 28 o 2.15307  0.201342  4.98339      0.867008 5.44163      1.1912   4.46716      1.26433  2.18798  0.272215  1.90146  0.345188  
1 1 1 45 27 29 o 1.71407  0.252203  3.33207      0.86459  2.85406      1.19928  3.84935      1.24758  1.42849  0.402563  1.70626  0.375727  
1 1 1 45 27 30 o 0.937376 0.359521  1.16921      0.947605 0.784306     1.37805  1.51447      1.30515  0.891404 0.393763  1.01539  0.411618  
1 1 1 45 27 31 o 0.809593 0.344318  0.680914     0.9763   0.760197     1.48825  0.621019     1.29353  0.877555 0.39689   0.838696 0.375032  
1 1 1 45 27 32 o 0.754968 0.338278  0.577133     1.05716  1.32572      1.56076  -0.0574314   1.43699  0.882334 0.401552  0.725944 0.347783  
1 1 1 45 27 33 o 1.14781  0.405967  2.55844      1.16746  1.15419      1.61269  4.10468      1.69226  0.838565 0.391436  1.26909  0.482272  
1 1 1 45 28 0  o 2.17882  0.174551  4.86018      0.7494   4.86018      0.7494   4.86018      0.7494   2.19196  0.121733  ?        ?         
1 1 1 45 28 1  o 4.80029  0.0742297 23.0829      0.712649 23.5574      1.01638  22.6241      0.99951  4.84511  0.104887  4.74809  0.105254  
1 1 1 45 28 2  o 0.944146 0.242261  0.942506     0.459693 0.67953      0.632297 1.23734      0.669507 0.85652  0.299174  1.08016  0.299614  
1 1 1 45 28 3  o 1.46798  0.194299  2.18114      0.570453 2.05307      0.866658 2.27905      0.75775  1.38377  0.319397  1.4709   0.267459  
1 1 1 45 28 4  o 2.83059  0.105734  8.0417       0.598583 8.30076      0.870594 7.80944      0.824346 2.87013  0.151665  2.7844   0.14803   
1 1 1 45 28 5  o 3.16477  0.100091  10.0497      0.633528 9.49031      0.890418 10.6231      0.901573 3.06962  0.145037  3.24864  0.138762  
1 1 1 45 28 6  o 5.52671  0.0887398 30.6288      0.980879 29.2377      1.3999   31.9705      1.37479  5.39117  0.129832  5.63948  0.12189   
1 1 1 45 28 7  o 1.8461   0.160324  3.43971      0.591947 3.65993      0.849589 3.23195      0.825222 1.89589  0.22406   1.78049  0.23174   
1 1 1 45 28 8  o 3.15881  0.104491  10.0172      0.660136 9.95891      0.909918 10.082       0.959174 3.14388  0.144713  3.16208  0.151668  
1 1 1 45 28 9  o 3.51637  0.097977  12.4072      0.689046 12.1781      0.965696 12.6449      0.983464 3.47763  0.138844  3.54366  0.138764  
1 1 1 45 28 10 o 2.15949  0.130574  4.69336      0.563945 5.18021      0.749401 4.05767      0.856329 2.26429  0.165483  1.99705  0.214399  
1 1 1 45 28 11 o 3.49679  0.0919594 12.2685      0.643125 12.48        0.867357 12.0101      0.958487 3.52213  0.12313   3.45239  0.138815  
1 1 1 45 28 12 o 2.33719  0.124544  5.49655      0.582165 5.59173      0.77269  5.37159      0.885379 2.35182  0.164275  2.30042  0.192439  
1 1 1 45 28 13 o 3.32907  0.10142   11.1342      0.675271 11.9362      0.941871 10.2861      0.968646 3.44031  0.136888  3.19058  0.151798  
1 1 1 45 28 14 o 1.29108  0.247976  1.77076      0.617469 1.38179      0.869792 2.16595      0.876714 1.13562  0.349172  1.41066  0.318296  
1 1 1 45 28 15 o 4.26267  0.104948  18.275       0.894715 20.0847      1.24878  16.3662      1.28253  4.45873  0.140038  4.01878  0.159567  
1 1 1 45 28 16 o 2.69166  0.145101  7.3322       0.781126 6.71141      1.03089  8.16915      1.19698  2.56105  0.201263  2.82199  0.212082  
1 1 1 45 28 17 f 4.38074  0.0994169 19.3041      0.871038 19.5089      1.1829   19.0616      1.28739  4.39311  0.134631  4.33745  0.148404  
1 1 1 45 28 18 o 2.01619  0.187494  4.15605      0.756047 3.13316      1.02052  5.40048      1.12562  1.695    0.312785  2.27969  0.246879  
1 1 1 45 28 19 o 2.63013  0.16949   7.05705      0.89156  6.56197      1.24795  7.57314      1.27417  2.50779  0.248815  2.69974  0.23598   
1 1 1 45 28 20 o 2.82501  0.118255  8.06468      0.66814  8.61153      0.987752 7.60342      0.907169 2.9031   0.17012   2.72922  0.166196  
1 1 1 45 28 21 o 0.795267 0.303768  0.513476     0.674225 0.919747     0.978864 0.146747     0.930008 0.99003  0.369049  0.78851  0.335725  
1 1 1 45 28 22 o 1.34889  0.278835  2.00379      0.726671 3.30543      1.05201  0.815999     1.00495  1.72254  0.317257  0.960285 0.369745  
1 1 1 45 28 23 o 1.43798  0.278883  2.28755      0.773431 1.83113      1.172    2.63966      1.02941  1.24745  0.408137  1.51166  0.347546  
1 1 1 45 28 24 o 1.14713  0.322481  1.52441      0.770515 0.847647     1.02614  2.39926      1.16669  0.953984 0.372313  1.39817  0.398036  
1 1 1 45 28 25 o 1.54268  0.254091  2.57454      0.783961 2.24507      1.05116  2.98751      1.17683  1.35596  0.375177  1.56463  0.379441  
1 1 1 45 28 26 o 1.02302  0.338089  1.2306       0.804228 1.54879      1.13122  0.905427     1.14359  1.1247   0.399432  0.967355 0.388114  
1 1 1 45 28 27 f 1.53758  0.287192  2.75738      0.850363 2.5774       1.18412  2.94904      1.22196  1.38771  0.402937  1.48953  0.401171  
1 1 1 45 28 28 o 0.840411 0.332783  0.704893     0.828957 -0.203277    1.16218  1.64547      1.18274  0.747836 0.342372  1.10912  0.406966  
1 1 1 45 28 29 o 0.804939 0.332516  0.620662     0.868791 0.851864     1.1868   0.353698     1.27528  0.897285 0.380543  0.827158 0.37106   
1 1 1 45 28 30 o 1.47234  0.342771  2.93417      0.991398 3.22268      1.494    2.70716      1.32522  1.3563   0.460804  1.27792  0.433996  
1 1 1 45 28 31 o 0.716708 0.325009  0.304008     1.00457  2.35015      1.48309  -1.43064     1.36554  1.07557  0.437782  0.617334 0.304535  
1 1 1 45 28 32 o 0.844353 0.362289  1.12221      1.09782  2.03234      1.64366  0.389211     1.47508  0.955301 0.425079  0.764237 0.361397  
1 1 1 45 28 33 o 1.93401  0.294788  5.39655      1.14025  5.55447      1.65859  5.25503      1.57014  1.45824  0.485525  1.46239  0.472156  
1 1 1 45 29 0  o 3.83869  0.116297  14.8103      0.890999 14.8103      0.890999 14.8103      0.890999 3.84354  0.0820441 ?        ?         
1 1 1 45 29 1  o 2.4463   0.108509  6.00879      0.53089  5.44162      0.736519 6.62216      0.765927 2.32255  0.158558  2.56338  0.149398  
1 1 1 45 29 2  o 1.69098  0.13574   2.87785      0.45907  3.25642      0.639614 2.47564      0.659277 1.79454  0.178211  1.5612   0.211144  
1 1 1 45 29 3  o 4.98373  0.0831293 24.8986      0.828588 25.6839      1.22577  24.2379      1.12439  5.05465  0.121252  4.91171  0.11446   
1 1 1 45 29 4  o 3.23962  0.0976563 10.5313      0.632738 10.4242      0.916832 10.6287      0.874334 3.21682  0.142506  3.2495   0.134533  
1 1 1 45 29 5  o 2.81174  0.110013  7.94033      0.618653 8.45707      0.897025 7.47159      0.854349 2.89554  0.154898  2.72129  0.156975  
1 1 1 45 29 6  f 4.08747  0.0859604 16.7517      0.70272  16.4989      1.00122  16.9971      0.986531 4.05071  0.123586  4.11206  0.119956  
1 1 1 45 29 7  o 5.51528  0.0831964 30.4935      0.917703 30.5887      1.31402  30.4029      1.28223  5.5166   0.119097  5.50041  0.116557  
1 1 1 45 29 8  o 1.28002  0.230961  1.72004      0.569646 0.600063     0.798033 2.88354      0.81339  0.876217 0.331707  1.67976  0.242115  
1 1 1 45 29 9  o 5.88789  0.0939365 34.7869      1.10618  36.5311      1.53787  32.917       1.59228  6.02493  0.127626  5.71568  0.139291  
1 1 1 45 29 10 o 0.754679 0.301786  0.31885      0.688177 -0.396748    0.971315 1.04012      0.975156 0.71853  0.32303   1.04801  0.370992  
1 1 1 45 29 11 o 5.49478  0.100572  30.3179      1.10524  32.6665      1.55182  27.9001      1.57452  5.69358  0.136278  5.25767  0.149736  
1 1 1 45 29 12 o 1.01857  0.310029  1.09601      0.688047 1.3476       0.976046 0.847489     0.970071 1.13664  0.372457  0.988024 0.367569  
1 1 1 45 29 13 o 0.793652 0.303054  0.48138      0.670885 0.475102     1.00937  0.486348     0.897924 0.901806 0.36346   0.869875 0.34575   
1 1 1 45 29 14 o 2.60281  0.129326  6.83435      0.673224 7.94046      0.898287 5.41694      1.01687  2.7989   0.160471  2.2979   0.22126   
1 1 1 45 29 15 o 3.29073  0.118447  10.9158      0.779557 11.3958      1.09742  10.4268      1.10757  3.35008  0.163791  3.20168  0.172966  
1 1 1 45 29 16 o 3.76048  0.106094  14.236       0.797927 13.8965      1.07921  14.6453      1.18508  3.70443  0.145665  3.79944  0.155955  
1 1 1 45 29 17 o 2.8564   0.13234   8.24926      0.756031 8.98551      1.06412  7.49882      1.07433  2.96731  0.179308  2.70458  0.198613  
1 1 1 45 29 18 o 2.43794  0.159217  6.04743      0.77632  5.82021      1.06265  6.3075       1.13688  2.37184  0.224013  2.46673  0.230442  
1 1 1 45 29 19 o 1.18124  0.306423  1.54774      0.729938 1.46844      1.00384  1.63672      1.06331  1.15549  0.377722  1.2101   0.388333  
1 1 1 45 29 20 o 3.9464   0.119102  15.7435      0.940046 16.6855      1.30261  14.7198      1.35797  4.04472  0.161026  3.79021  0.179141  
1 1 1 45 29 21 o 0.667626 0.284907  0.0722398    0.67249  1.09781      1.00298  -0.765375    0.906424 1.03695  0.375322  0.619419 0.290309  
1 1 1 45 29 22 o 2.20164  0.166283  4.97282      0.732192 5.2051       1.04592  4.74959      1.02534  2.22464  0.235075  2.12215  0.241581  
1 1 1 45 29 23 o 1.80186  0.220361  3.42281      0.794118 4.06735      1.09413  2.7053       1.1544   1.93171  0.283202  1.49826  0.383591  
1 1 1 45 29 24 o 2.92255  0.146173  8.76704      0.854395 7.47304      1.14454  10.3957      1.28405  2.65865  0.215248  3.14427  0.204189  
1 1 1 45 29 25 o 2.01253  0.214885  4.30695      0.864925 4.15324      1.23352  4.45562      1.21312  1.87559  0.341466  1.98725  0.305225  
1 1 1 45 29 26 o 1.3005   0.316546  2.02845      0.816723 1.80959      1.15558  2.24689      1.15446  1.18133  0.405229  1.30731  0.402337  
1 1 1 45 29 27 o 0.668924 0.298393  -0.0434622   0.814473 0.27616      1.14278  -0.373418    1.16111  0.819798 0.360702  0.727786 0.336783  
1 1 1 45 29 28 o 0.649462 0.29575   -0.172374    0.849449 0.140612     1.21038  -0.476143    1.19243  0.796292 0.359148  0.710011 0.332804  
1 1 1 45 29 29 o 0.939424 0.355055  1.17954      0.913091 1.25432      1.36114  1.11835      1.23123  0.964815 0.408276  0.934509 0.391522  
1 1 1 45 29 30 o 1.27387  0.36732   2.36819      0.987392 2.16042      1.37773  2.58762      1.41582  1.11753  0.432377  1.20663  0.445019  
1 1 1 45 29 31 o 0.860286 0.360091  1.1489       1.03993  0.95916      1.51408  1.31834      1.43081  0.838304 0.386645  0.883041 0.394658  
1 1 1 45 29 32 o 1.45985  0.377759  3.48791      1.11112  6.15546      1.62897  1.16699      1.51946  1.81157  0.450851  0.842724 0.388169  
1 1 1 45 30 0  o 1.0516   0.37466   1.4818       0.716759 1.4818       0.716759 1.4818       0.716759 1.1357   0.256232  ?        ?         
1 1 1 45 30 1  o 1.65309  0.147643  2.75411      0.488134 3.01318      0.686336 2.48892      0.694385 1.72353  0.199108  1.56374  0.222027  
1 1 1 45 30 2  o 1.8067   0.122236  3.28165      0.441688 3.96427      0.622068 2.58763      0.627245 1.98224  0.156911  1.59751  0.19632   
1 1 1 45 30 3  o 4.08204  0.0878596 16.7091      0.717293 17.0574      1.08212  16.4362      0.957996 4.11723  0.131413  4.04391  0.118449  
1 1 1 45 30 4  o 3.38458  0.0981411 11.4948      0.664333 11.7052      0.997074 11.3268      0.890885 3.40815  0.146278  3.35487  0.132775  
1 1 1 45 30 5  o 2.52675  0.121052  6.41859      0.611738 6.6572       0.872108 6.18747      0.858312 2.56656  0.169898  2.4738   0.17348   
1 1 1 45 30 6  o 4.17377  0.0877951 17.4709      0.732872 17.7319      1.0502   17.2231      1.02321  4.19852  0.125067  4.13812  0.123632  
1 1 1 45 30 7  o 0.718444 0.277313  0.359468     0.566032 0.059836     0.796499 0.665182     0.804543 0.733111 0.311372  0.896948 0.334533  
1 1 1 45 30 8  o 2.68174  0.140984  7.24859      0.756164 8.95357      1.07082  5.55276      1.06794  2.97306  0.180087  2.33214  0.228962  
1 1 1 45 30 9  o 4.59356  0.101305  21.188       0.930706 22.1738      1.318    20.2075      1.31444  4.69012  0.140508  4.47569  0.146842  
1 1 1 45 30 10 o 1.81544  0.190651  3.34819      0.692232 3.49068      0.965645 3.19756      0.992849 1.84072  0.2623    1.75764  0.282438  
1 1 1 45 30 11 o 6.35789  0.100592  40.6258      1.2791   40.1187      1.81457  41.1266      1.80332  6.30186  0.143971  6.38173  0.141288  
1 1 1 45 30 12 o 1.3073   0.28686   1.84458      0.729583 2.18379      1.03169  1.50523      1.03189  1.40526  0.36418   1.1883   0.382675  
1 1 1 45 30 13 o 4.14929  0.112616  17.3335      0.934549 17.9389      1.27127  16.6217      1.37854  4.20973  0.150992  4.04554  0.170377  
1 1 1 45 30 14 o 1.45086  0.28353   2.2679       0.793375 2.68688      1.08315  1.78292      1.16536  1.55579  0.355694  1.27411  0.406307  
1 1 1 45 30 15 o 4.47273  0.111067  20.1525      0.993547 21.7137      1.36666  18.4025      1.44695  4.62974  0.147595  4.25317  0.170103  
1 1 1 45 30 16 f 2.59554  0.137088  6.81663      0.711637 6.65255      0.986317 6.99478      1.02778  2.54906  0.193467  2.61278  0.196682  
1 1 1 45 30 17 o 3.06192  0.128803  9.48161      0.78877  8.72896      1.06175  10.4086      1.17831  2.92171  0.1817    3.18927  0.18473   
1 1 1 45 30 18 o 2.57245  0.153362  6.73382      0.789033 6.80002      1.09567  6.66249      1.13722  2.56444  0.213627  2.53408  0.224385  
1 1 1 45 30 19 o 3.00611  0.135015  9.16254      0.811743 9.10489      1.10827  9.22926      1.19228  2.97826  0.186061  2.9929   0.199184  
1 1 1 45 30 20 o 2.1267   0.189408  4.65959      0.805625 5.15675      1.13227  4.14984      1.14652  2.21072  0.256085  1.96814  0.291271  
1 1 1 45 30 21 o 1.88277  0.172671  3.63922      0.650201 4.03988      0.98566  3.33055      0.865131 1.95509  0.252076  1.77847  0.243223  
1 1 1 45 30 22 o 3.07755  0.133538  9.65157      0.821941 9.84523      1.08531  9.3911       1.25867  3.0873   0.175769  2.99483  0.21014   
1 1 1 45 30 23 o 1.79916  0.218323  3.42453      0.785596 3.54095      1.06337  3.28463      1.16567  1.78864  0.297255  1.66265  0.36068   
1 1 1 45 30 24 o 1.44023  0.296029  2.37384      0.823447 3.18121      1.20009  1.65554      1.13196  1.61304  0.378168  1.16715  0.400997  
1 1 1 45 30 25 o 0.64634  0.291764  -0.193699    0.800485 -1.08506     1.10537  0.789261     1.16077  0.638909 0.305831  0.940878 0.385847  
1 1 1 45 30 26 o 1.38701  0.303452  2.30425      0.81865  2.1784       1.15214  2.43258      1.16344  1.26865  0.403938  1.34248  0.402059  
1 1 1 45 30 27 o 0.581502 0.273261  -0.582104    0.820866 -1.608       1.16445  0.431322     1.15735  0.596684 0.291874  0.843665 0.367125  
1 1 1 45 30 28 o 1.08407  0.359361  1.6188       0.908611 2.87699      1.29895  0.413348     1.27143  1.36559  0.428092  0.832034 0.37194   
1 1 1 45 30 29 o 1.54648  0.339746  3.21213      1.02228  2.85621      1.46168  3.55292      1.43027  1.27558  0.453939  1.4632   0.447321  
1 1 1 45 30 30 o 1.04481  0.377054  1.81679      1.0116   0.929066     1.49419  2.56803      1.37453  0.854656 0.390009  1.14243  0.434498  
1 1 1 45 30 31 o 0.808363 0.351471  0.92824      1.0591   -0.736628    1.50785  2.54945      1.48795  0.674252 0.330358  1.06131  0.436315  
1 1 1 45 30 32 o 0.928425 0.372662  1.7905       1.05502  2.3161       1.54794  1.33454      1.44175  0.913514 0.409327  0.802735 0.372926  
1 1 1 45 31 0  o 1.22824  0.3309    1.82331      0.701081 1.82331      0.701081 1.82331      0.701081 1.29933  0.206417  ?        ?         
1 1 1 45 31 1  f 5.29871  0.0707451 28.1289      0.749716 27.6806      1.04264  28.6089      1.0788   5.25151  0.0992709 5.33849  0.10104   
1 1 1 45 31 2  o 2.56047  0.0928077 6.57733      0.475263 6.09477      0.656475 7.1088       0.688948 2.46048  0.133404  2.65779  0.129609  
1 1 1 45 31 3  o 7.1834   0.0837648 51.7397      1.20343  50.3565      1.73124  53.0331      1.67402  7.07593  0.122333  7.26389  0.115229  
1 1 1 45 31 4  o 5.07351  0.0819304 25.808       0.831349 25.6528      1.1808   25.9605      1.17068  5.05139  0.116879  5.08199  0.115179  
1 1 1 45 31 5  o 4.06503  0.0899373 16.5774      0.731196 16.5766      1.02955  16.5783      1.03865  4.05851  0.126838  4.05848  0.12796   
1 1 1 45 31 6  o 5.05692  0.0844904 25.6453      0.854523 24.5754      1.18997  26.7844      1.22788  4.94301  0.120369  5.16073  0.118964  
1 1 1 45 31 7  o 4.85775  0.0970582 23.6872      0.942969 23.1484      1.31472  24.2581      1.35323  4.79297  0.137151  4.9063   0.137908  
1 1 1 45 31 8  o 1.79757  0.200882  3.28713      0.722197 2.49339      0.981757 4.22316      1.06614  1.5158   0.332892  2.02498  0.263246  
1 1 1 45 31 9  f 3.44925  0.115977  11.9734      0.800066 12.0534      1.10082  11.8839      1.16482  3.45107  0.15949   3.42392  0.1701    
1 1 1 45 31 10 o 1.66702  0.214028  2.84275      0.713581 2.73431      0.961514 2.97572      1.06466  1.59087  0.313359  1.65392  0.333554  
1 1 1 45 31 11 o 0.771177 0.310625  0.325564     0.736622 0.402152     1.02993  0.24536      1.05397  0.890997 0.364096  0.865049 0.362324  
1 1 1 45 31 12 o 2.80329  0.149492  7.95486      0.838138 8.2934       1.17553  7.60481      1.19533  2.84658  0.206481  2.72175  0.219588  
1 1 1 45 31 13 o 1.20774  0.319489  1.59977      0.783754 1.03278      1.06781  2.26197      1.15399  1.05142  0.386601  1.41763  0.3934    
1 1 1 45 31 14 o 0.720853 0.304196  0.117689     0.752189 -0.967369    1.03127  1.3511       1.09952  0.653856 0.307024  1.14187  0.394928  
1 1 1 45 31 15 o 0.721622 0.30537   0.109668     0.761479 -0.174433    1.13967  0.338785     1.02346  0.809944 0.357895  0.867874 0.359852  
1 1 1 45 31 16 o 0.953425 0.332218  0.908935     0.779288 0.931238     1.10894  0.887175     1.09535  1.02531  0.390177  1.01124  0.386915  
1 1 1 45 31 17 o 2.58165  0.149201  6.77566      0.770371 6.63258      1.05402  6.93974      1.12876  2.53495  0.207897  2.58898  0.217993  
1 1 1 45 31 18 o 2.24328  0.169047  5.14185      0.758437 5.53321      1.05284  4.71968      1.0935   2.30691  0.228193  2.11935  0.257979  
1 1 1 45 31 19 o 3.59831  0.118884  13.0981      0.855563 13.2204      1.16767  12.9564      1.25718  3.59733  0.162297  3.55419  0.176859  
1 1 1 45 31 20 o 0.812708 0.31636   0.519792     0.739901 -0.369684    0.999042 1.60038      1.10115  0.715112 0.324208  1.189    0.395608  
1 1 1 45 31 21 o 1.14631  0.320707  1.50107      0.763857 0.431864     1.03692  2.76979      1.12953  0.869846 0.361535  1.53231  0.371819  
1 1 1 45 31 22 o 1.80396  0.229123  3.45535      0.826656 3.14462      1.17354  3.76138      1.16465  1.62285  0.369699  1.80458  0.33524   
1 1 1 45 31 23 o 1.34323  0.304541  2.07943      0.799434 2.36577      1.13276  1.7953       1.12839  1.38187  0.391826  1.21099  0.400471  
1 1 1 45 31 24 o 0.705884 0.303332  0.144647     0.771611 0.474963     1.09568  -0.180354    1.08682  0.868685 0.366887  0.751247 0.339497  
1 1 1 45 31 25 o 0.799923 0.320521  0.553764     0.778499 0.456861     1.09675  0.652171     1.10523  0.850166 0.363357  0.89062  0.371904  
1 1 1 45 31 26 o 1.05361  0.350086  1.40091      0.862317 0.231276     1.19851  2.65624      1.24164  0.823039 0.36492   1.38323  0.415571  
1 1 1 45 31 27 o 2.24387  0.214318  5.55803      0.961802 6.1296       1.35398  4.97584      1.36649  2.25683  0.299974  1.94828  0.3642    
1 1 1 45 31 28 o 1.86647  0.250764  4.07691      0.936088 4.99454      1.3665   3.26557      1.28492  1.90115  0.372675  1.45312  0.419028  
1 1 1 45 31 29 o 0.953158 0.368211  1.32489      0.99835  1.379        1.46698  1.27821      1.36255  0.958375 0.415124  0.940748 0.40363   
1 1 1 45 31 30 o 1.10819  0.373715  2.07899      0.982649 2.67994      1.35953  1.42163      1.42192  1.13622  0.432125  0.895413 0.397185  
1 1 1 45 31 31 o 0.764824 0.34386   0.702408     1.10075  -1.0725      1.63491  2.1741       1.48873  0.664235 0.329003  0.981476 0.421532  
1 1 1 45 32 0  o 0.804693 0.386188  0.980085     0.711485 0.980085     0.711485 0.980085     0.711485 0.846253 0.318914  ?        ?         
1 1 1 45 32 1  o 5.02434  0.0732274 25.2979      0.735838 25.0989      1.04003  25.4974      1.04124  4.99906  0.104023  5.03873  0.103323  
1 1 1 45 32 2  o 7.90529  0.0808885 62.6569      1.27889  61.4252      1.8948   63.6875      1.73324  7.81438  0.121238  7.96151  0.108851  
1 1 1 45 32 3  o 1.52853  0.20363   2.37521      0.622507 2.32395      0.966177 2.4116       0.813976 1.46406  0.33677   1.50682  0.280563  
1 1 1 45 32 4  o 2.32554  0.13063   5.4453       0.607572 5.6707       0.901814 5.25796      0.82217  2.36388  0.190749  2.27798  0.180461  
1 1 1 45 32 5  o 2.28132  0.135528  5.24403      0.618362 5.0948       0.853299 5.40906      0.897356 2.24022  0.19045   2.30755  0.19444   
1 1 1 45 32 6  f 1.4257   0.210521  2.07244      0.600278 2.66794      0.788881 1.25344      0.925154 1.61211  0.244674  1.10245  0.362617  
1 1 1 45 32 7  f 1.16094  0.295113  1.45692      0.686921 2.05081      0.965665 0.848569     0.977345 1.36673  0.351381  0.989543 0.368783  
1 1 1 45 32 8  o 4.67341  0.103424  21.9576      0.966687 22.518       1.35311  21.3734      1.38154  4.72127  0.143299  4.59741  0.150252  
1 1 1 45 32 9  o 3.49455  0.114496  12.2931      0.800221 11.8029      1.09519  12.8544      1.17208  3.41334  0.160428  3.56095  0.164574  
1 1 1 45 32 10 o 3.07342  0.136282  9.53895      0.837707 10.1005      1.16367  8.93486      1.20691  3.14968  0.184728  2.95656  0.204107  
1 1 1 45 32 11 o 2.03954  0.202642  4.25664      0.826594 5.21323      1.13606  3.18057      1.20493  2.2426   0.253292  1.69123  0.366552  
1 1 1 45 32 12 o 5.18094  0.106297  27.0193      1.10144  28.9189      1.56668  25.1627      1.54883  5.34415  0.146579  4.98115  0.155469  
1 1 1 45 32 13 o 3.04996  0.136947  9.40804      0.835362 10.3497      1.15474  8.3742       1.20996  3.18533  0.181259  2.85498  0.211903  
1 1 1 45 32 14 f 1.14354  0.315304  1.43606      0.744007 0.543378     1.04636  2.3489       1.05811  0.919804 0.37033   1.44457  0.365707  
1 1 1 45 32 15 f 1.37464  0.308964  2.08367      0.8287   2.68795      1.29789  1.66776      1.07676  1.52417  0.414775  1.2253   0.390538  
1 1 1 45 32 16 o 2.86182  0.159557  8.34562      0.913249 7.66733      1.24531  9.13487      1.3433   2.71641  0.229221  2.96635  0.226423  
1 1 1 45 32 17 o 3.08428  0.139767  9.65422      0.862164 10.1888      1.29069  9.22349      1.15855  3.14189  0.205401  2.99463  0.193438  
1 1 1 45 32 18 o 2.83178  0.133277  8.13422      0.75482  9.16908      1.02883  6.9278       1.11084  2.99251  0.1719    2.58425  0.214925  
1 1 1 45 32 19 o 2.45869  0.151117  6.16669      0.743099 5.83438      1.02055  6.54168      1.08413  2.3675   0.215534  2.50657  0.216257  
1 1 1 45 32 20 o 1.5457   0.244811  2.5322       0.756809 2.12843      1.01914  3.02859      1.13     1.34642  0.368053  1.61462  0.359315  
1 1 1 45 32 21 o 2.18158  0.199421  4.97659      0.870108 4.40812      1.27422  5.47326      1.19103  1.98515  0.320937  2.25055  0.264608  
1 1 1 45 32 22 o 2.47733  0.168491  6.35416      0.834815 6.90257      1.20105  5.84155      1.16118  2.5403   0.236398  2.3284   0.24935   
1 1 1 45 32 23 o 1.5706   0.246624  2.67405      0.774696 4.55222      1.10156  0.836085     1.08971  2.03278  0.27095   0.948492 0.379561  
1 1 1 45 32 24 o 0.850685 0.325589  0.72313      0.775844 0.888205     1.09316  0.555588     1.1013   0.945361 0.37939   0.875914 0.368781  
1 1 1 45 32 25 o 0.641661 0.290922  -0.175935    0.804526 -1.77184     1.15633  1.32145      1.12007  0.58395  0.287128  1.0339   0.392514  
1 1 1 45 32 26 o 0.703345 0.310779  0.0925953    0.859233 0.36401      1.16294  -0.233684    1.27507  0.827515 0.363984  0.76588  0.353842  
1 1 1 45 32 27 o 1.40152  0.330802  2.57464      0.91345  2.26135      1.31783  2.86436      1.26728  1.19024  0.430275  1.36269  0.421976  
1 1 1 45 32 28 o 0.77299  0.333501  0.505621     0.939721 2.43157      1.37999  -1.15965     1.28321  1.18974  0.439243  0.642011 0.312538  
1 1 1 45 32 29 o 0.705608 0.319922  0.287697     0.972962 0.0789336    1.42375  0.470617     1.33271  0.748971 0.35459   0.781902 0.361438  
1 1 1 45 32 30 o 1.06146  0.389728  2.06072      1.08481  2.89453      1.61494  1.37512      1.46439  1.09551  0.452998  0.880101 0.396098  
1 1 1 45 32 31 o 0.840567 0.355433  1.39672      1.03033  1.42425      1.48148  1.37093      1.4339   0.80297  0.374957  0.799501 0.371611  
1 1 1 45 33 0  o 1.98234  0.188361  4.0643       0.731304 4.0643       0.731304 4.0643       0.731304 1.99968  0.130575  ?        ?         
1 1 1 45 33 1  o 1.70521  0.151421  2.93702      0.516409 2.55317      0.749936 3.28317      0.712152 1.57834  0.237571  1.79645  0.198211  
1 1 1 45 33 2  o 2.9427   0.091681  8.69206      0.53958  8.94118      0.726575 8.38571      0.805709 2.98027  0.121898  2.88322  0.139724  
1 1 1 45 33 3  o 3.32742  0.106353  11.1295      0.707765 10.2573      1.05345  11.8471      0.955552 3.18267  0.165498  3.42665  0.13943   
1 1 1 45 33 4  o 3.99054  0.0927518 15.9905      0.74026  15.4604      1.07492  16.4686      1.02094  3.91432  0.137306  4.04273  0.126268  
1 1 1 45 33 5  o 2.30238  0.136673  5.35026      0.629347 5.00471      0.897747 5.68419      0.882512 2.21475  0.202675  2.36388  0.186666  
1 1 1 45 33 6  o 1.40901  0.265532  2.11621      0.720867 1.62602      1.01946  2.6064       1.01946  1.22532  0.378279  1.5431   0.339513  
1 1 1 45 33 7  o 2.19535  0.168296  4.8889       0.738938 4.60264      1.01829  5.20731      1.07396  2.11446  0.240793  2.24963  0.238697  
1 1 1 45 33 8  o 2.30806  0.160284  5.3992       0.739891 6.29125      1.02157  4.41499      1.07305  2.48062  0.205911  2.0647   0.259856  
1 1 1 45 33 9  f 0.660247 0.291316  -0.160531    0.751302 0.2048       1.05844  -0.531531    1.06662  0.85553  0.360929  0.730062 0.332172  
1 1 1 45 33 10 o 2.86848  0.1481    8.33225      0.849643 8.99492      1.15804  7.55965      1.25042  2.96665  0.195177  2.70806  0.23087   
1 1 1 45 33 11 o 3.24711  0.130982  10.6508      0.850626 11.2348      1.14449  9.93008      1.27144  3.32275  0.17222   3.11295  0.204218  
1 1 1 45 33 12 o 0.725726 0.304872  0.143855     0.749918 0.091527     1.0716   0.194079     1.04983  0.834145 0.357923  0.846926 0.358484  
1 1 1 45 33 13 o 4.39531  0.108806  19.4671      0.956473 20.1053      1.36193  18.846       1.34358  4.45001  0.153025  4.30714  0.155971  
1 1 1 45 33 14 o 0.640694 0.288925  -0.313738    0.783035 -1.33717     1.13544  0.614415     1.0813   0.65073  0.311122  0.942254 0.377665  
1 1 1 45 33 15 o 3.49167  0.144097  12.381       1.00628  12.7423      1.46361  12.0572      1.38578  3.51326  0.208298  3.42041  0.202575  
1 1 1 45 33 16 o 0.773318 0.321746  0.247149     0.822562 0.181175     1.1692   0.311804     1.15745  0.874143 0.374435  0.89537  0.377571  
1 1 1 45 33 17 o 2.49832  0.166256  6.38056      0.83072  7.04168      1.15352  5.66826      1.19733  2.60266  0.221604  2.31942  0.25811   
1 1 1 45 33 18 o 2.01043  0.192837  4.17395      0.775371 4.13117      1.11698  4.21373      1.07719  1.96394  0.284371  1.98967  0.270695  
1 1 1 45 33 19 o 2.65233  0.154349  7.19827      0.818768 7.23739      1.18303  7.16231      1.13433  2.62632  0.225226  2.61723  0.216704  
1 1 1 45 33 20 f 1.05921  0.338584  1.27962      0.808895 1.21615      1.18449  1.33508      1.10731  1.07156  0.40457   1.09409  0.394522  
1 1 1 45 33 21 o 2.35036  0.180283  5.74546      0.847462 4.36476      1.27453  6.83967      1.13462  1.96606  0.324133  2.53849  0.223484  
1 1 1 45 33 22 o 0.83295  0.320584  0.638881     0.75532  0.91881      1.07653  0.367472     1.06002  0.968239 0.38055   0.844489 0.358957  
1 1 1 45 33 23 o 2.41434  0.173013  6.09818      0.835424 6.48942      1.21698  5.7495       1.14889  2.43271  0.250129  2.28917  0.25094   
1 1 1 45 33 24 o 1.01888  0.342347  1.27569      0.824615 1.24308      1.1578   1.30926      1.17475  1.01898  0.395928  1.03539  0.399536  
1 1 1 45 33 25 o 0.894876 0.344052  0.887567     0.869461 0.320354     1.14988  1.64479      1.3286   0.824209 0.362236  1.10444  0.425159  
1 1 1 45 33 26 o 1.04034  0.363621  1.4736       0.934182 1.52989      1.35726  1.42293      1.28774  1.03914  0.420368  1.01738  0.410328  
1 1 1 45 33 27 o 0.614091 0.286131  -0.308191    0.856746 -0.374423    1.22215  -0.244194    1.20136  0.705795 0.332181  0.716054 0.335352  
1 1 1 45 33 28 o 0.652716 0.303814  -0.150694    0.962761 -0.223604    1.39012  -0.0834842   1.33467  0.733805 0.348811  0.738791 0.347543  
1 1 1 45 33 29 o 0.705195 0.3209    0.339248     0.996173 1.505        1.44695  -0.711195    1.37352  0.899876 0.399726  0.655243 0.319758  
1 1 1 45 33 30 o 0.687681 0.317161  0.269009     1.01865  -0.277196    1.46439  0.781084     1.4179   0.691734 0.335858  0.787979 0.367517  
1 1 1 45 34 0  o 1.41414  0.308845  2.29968      0.764262 2.29968      0.764262 2.29968      0.764262 1.47468  0.190339  ?        ?         
1 1 1 45 34 1  o 5.03115  0.0752343 25.3844      0.75703  25.6079      1.07683  25.166       1.06448  5.04608  0.1067    5.00243  0.106396  
1 1 1 45 34 2  o 2.28837  0.114208  5.27103      0.522699 5.95628      0.67231  4.22386      0.831101 2.4289   0.138398  2.03401  0.204302  
1 1 1 45 34 3  o 3.12359  0.114852  9.82184      0.717502 9.45773      1.03725  10.1559      0.993563 3.05319  0.169863  3.16723  0.15685   
1 1 1 45 34 4  o 2.53998  0.127939  6.50516      0.649922 6.68833      0.968763 6.35525      0.876417 2.56299  0.188991  2.50151  0.175178  
1 1 1 45 34 5  o 1.89768  0.189298  3.66816      0.718453 3.52956      0.962798 3.8423       1.07923  1.84634  0.260731  1.92114  0.280883  
1 1 1 45 34 6  f 3.57132  0.115675  12.8461      0.826224 12.0914      1.14477  13.6667      1.19368  3.45177  0.165824  3.67076  0.162593  
1 1 1 45 34 7  o 3.49926  0.118153  12.3407      0.826896 12.292       1.13548  12.3958      1.20657  3.47999  0.163144  3.49151  0.172787  
1 1 1 45 34 8  o 4.52336  0.108906  20.6005      0.985244 21.1891      1.38424  19.9961      1.40263  4.57302  0.151349  4.43983  0.15796   
1 1 1 45 34 9  o 1.63379  0.240528  2.76003      0.785943 2.64928      1.0891   2.88038      1.13533  1.5423   0.359398  1.6083   0.361741  
1 1 1 45 34 10 o 0.710112 0.306073  0.00273205   0.790033 1.34489      1.06022  -1.67297     1.18466  1.1348   0.388186  0.638696 0.308343  
1 1 1 45 34 11 o 6.20983  0.113737  38.8759      1.41258  42.4214      2.09029  35.8958      1.91639  6.45964  0.161796  5.94239  0.161248  
1 1 1 45 34 12 o 1.29921  0.305735  1.85778      0.782093 1.95672      1.12805  1.76621      1.08528  1.31649  0.396225  1.25744  0.390727  
1 1 1 45 34 13 o 2.498    0.169278  6.36784      0.845714 6.35177      1.21744  6.38283      1.17569  2.46728  0.246718  2.47716  0.237306  
1 1 1 45 34 14 o 3.04981  0.150052  9.45839      0.915261 9.42344      1.23257  9.50134      1.36652  3.02309  0.203859  3.02519  0.225857  
1 1 1 45 34 15 o 0.954135 0.343335  0.888863     0.838228 0.757106     1.28219  0.987203     1.10772  1.01677  0.409707  1.03302  0.390881  
1 1 1 45 34 16 o 1.34361  0.305692  2.00867      0.803201 1.58506      1.11875  2.4593       1.15386  1.19216  0.398756  1.45474  0.388947  
1 1 1 45 34 17 o 2.47856  0.166842  6.29353      0.827057 6.36927      1.14945  6.21224      1.19092  2.46558  0.2331    2.42914  0.245131  
1 1 1 45 34 18 o 1.71777  0.236878  3.11034      0.813806 3.90409      1.13472  2.26967      1.16778  1.89599  0.299244  1.38016  0.399954  
1 1 1 45 34 19 o 0.553385 0.263078  -0.833295    0.790949 -1.19097     1.15578  -0.518238    1.08474  0.659273 0.314893  0.715528 0.328911  
1 1 1 45 34 20 o 2.41177  0.173247  6.03015      0.835662 3.92493      1.25535  7.7054       1.11984  1.82487  0.356676  2.7062   0.206902  
1 1 1 45 34 21 o 1.26871  0.313414  1.87927      0.791638 2.39519      1.17847  1.45502      1.06866  1.38033  0.402357  1.10939  0.388802  
1 1 1 45 34 22 o 2.43352  0.167886  6.17206      0.817107 4.82924      1.17196  7.44227      1.13984  2.07784  0.282014  2.63783  0.216056  
1 1 1 45 34 23 o 0.562132 0.265299  -0.668529    0.790028 -0.419448    1.11106  -0.923259    1.12359  0.712002 0.329465  0.654914 0.312254  
1 1 1 45 34 24 f 1.52565  0.29742   2.77228      0.875137 2.98342      1.18617  2.52006      1.29642  1.49485  0.391944  1.33237  0.428917  
1 1 1 45 34 25 o 1.04606  0.359709  1.45513      0.911028 1.93743      1.25949  0.925887     1.31937  1.1481   0.420091  0.93548  0.399134  
1 1 1 45 34 26 o 1.72244  0.26298   3.51376      0.905933 3.06469      1.28568  3.95661      1.27673  1.40004  0.423333  1.66296  0.390177  
1 1 1 45 34 27 f 0.782863 0.338018  0.549511     0.966751 0.214371     1.49032  0.792994     1.27028  0.813227 0.378321  0.864459 0.380322  
1 1 1 45 34 28 o 0.636812 0.298977  -0.169619    0.976621 -1.35397     1.3357   1.19085      1.43158  0.609555 0.300816  0.873247 0.3924    
1 1 1 45 34 29 o 0.606845 0.289581  -0.364512    0.971623 -0.447448    1.33363  -0.270691    1.41845  0.671748 0.324824  0.700325 0.337924  
1 1 1 45 34 30 o 0.753637 0.339075  0.967479     1.07227  0.500075     1.46877  1.50088      1.56904  0.706447 0.341479  0.798008 0.375815  
1 1 1 45 35 0  o 1.52072  0.2832    2.57828      0.772396 2.57828      0.772396 2.57828      0.772396 1.56942  0.179329  ?        ?         
1 1 1 45 35 1  o 4.4894   0.0797077 20.2236      0.71568  21.8493      1.02453  18.6744      1.00016  4.65915  0.109948  4.30575  0.116142  
1 1 1 45 35 2  o 2.83454  0.100001  8.07826      0.566916 7.94431      0.727292 8.28566      0.905013 2.80575  0.129607  2.85903  0.158273  
1 1 1 45 35 3  f 2.55761  0.136018  6.60816      0.69576  6.20116      1.00419  6.98393      0.964892 2.462    0.203938  2.61819  0.184267  
1 1 1 45 35 4  o 1.62973  0.204675  2.71888      0.667129 4.64056      1.05568  1.44124      0.860794 2.11716  0.249315  1.15158  0.346026  
1 1 1 45 35 5  o 1.97443  0.214819  4.0014       0.848291 5.12144      1.14846  2.65671      1.25839  2.22078  0.258572  1.53124  0.404723  
1 1 1 45 35 6  o 4.52626  0.11183   20.6358      1.01234  22.6163      1.45124  18.7587      1.41287  4.72333  0.153625  4.29747  0.164383  
1 1 1 45 35 7  o 1.07957  0.328112  1.25699      0.771029 0.613488     1.05029  2.00914      1.13549  0.940775 0.373934  1.34006  0.396344  
1 1 1 45 35 8  o 5.74429  0.112265  33.2484      1.28976  33.3954      1.8043   33.0948      1.84436  5.73589  0.157282  5.70768  0.161568  
1 1 1 45 35 9  o 3.83623  0.120753  14.8502      0.92647  16.5137      1.3943   13.5352      1.23973  4.02588  0.173168  3.64599  0.170013  
1 1 1 45 35 10 o 1.19257  0.315929  1.56833      0.765696 1.45084      1.08924  1.68311      1.07658  1.16494  0.393463  1.23278  0.390262  
1 1 1 45 35 11 o 1.82435  0.227272  3.44618      0.829248 3.35753      1.13029  3.54951      1.22034  1.74226  0.336381  1.78385  0.354649  
1 1 1 45 35 12 o 2.29237  0.182826  5.38476      0.838211 4.0571       1.1861   6.70933      1.18472  1.94891  0.304299  2.5399   0.233222  
1 1 1 45 35 13 o 3.54764  0.133614  12.7551      0.948027 12.9966      1.27585  12.4573      1.41659  3.56231  0.179077  3.47554  0.203794  
1 1 1 45 35 14 o 1.26673  0.330963  1.80168      0.84767  2.48476      1.22579  1.17565      1.17349  1.46077  0.405481  1.09169  0.404645  
1 1 1 45 35 15 o 1.20135  0.342875  1.63161      0.864671 0.340468     1.25449  2.80015      1.19345  0.923844 0.391498  1.55269  0.385586  
1 1 1 45 35 16 o 2.66437  0.165717  7.27033      0.883063 6.85119      1.26581  7.66773      1.23253  2.54927  0.24827   2.70806  0.227567  
1 1 1 45 35 17 o 1.07382  0.341943  1.29303      0.825606 1.48708      1.172    1.10188      1.16322  1.15448  0.406915  1.0551   0.400166  
1 1 1 45 35 18 o 2.95432  0.15568   8.96122      0.919854 9.18589      1.29021  8.72898      1.3118   2.95393  0.218388  2.87285  0.228309  
1 1 1 45 35 19 o 1.643    0.249929  2.90474      0.82127  3.14593      1.13045  2.63516      1.19516  1.62886  0.356777  1.46076  0.398243  
1 1 1 45 35 20 o 0.652376 0.289834  -0.114347    0.761148 -1.14243     1.12718  0.747397     1.03197  0.648013 0.309862  0.923029 0.369369  
1 1 1 45 35 21 o 2.29074  0.17845   5.49108      0.817564 5.82247      1.22019  5.2211       1.10134  2.29817  0.26547   2.18642  0.251859  
1 1 1 45 35 22 o 1.50685  0.28195   2.62401      0.81824  3.59634      1.15389  1.64055      1.16047  1.71155  0.349177  1.1305   0.404256  
1 1 1 45 35 23 o 2.51842  0.183627  6.74313      0.9249   8.48932      1.28636  4.87426      1.33078  2.7783   0.231501  2.0124   0.330645  
1 1 1 45 35 24 o 1.25379  0.355008  2.06537      0.930522 2.27761      1.26956  1.819        1.36784  1.24905  0.424784  1.1268   0.432011  
1 1 1 45 35 25 o 1.76758  0.251537  3.6264       0.889222 4.25479      1.22227  2.91982      1.29607  1.78834  0.354332  1.36922  0.427297  
1 1 1 45 35 26 o 1.22537  0.361355  2.14658      0.945201 1.69301      1.43218  2.49659      1.2581   1.03197  0.426652  1.2375   0.422863  
1 1 1 45 35 27 o 0.832651 0.348795  0.947678     0.97692  0.857429     1.39255  1.03514      1.37085  0.840922 0.381793  0.864498 0.386337  
1 1 1 45 35 28 o 0.783703 0.33825   0.827324     0.967366 0.0929129    1.34359  1.61778      1.39392  0.718528 0.3422    0.91335  0.400134  
1 1 1 45 35 29 o 0.785382 0.347192  0.940808     1.0741   1.6122       1.49131  0.217114     1.54831  0.868942 0.39467   0.726425 0.351044  
1 1 1 45 36 0  o 5.56241  0.113046  31.0933      1.25644  31.0933      1.25644  31.0933      1.25644  5.56927  0.0797993 ?        ?         
1 1 1 45 36 1  o 0.598903 0.254541  0.036997     0.532919 0.618136     0.749365 -0.557661    0.758031 0.858089 0.322298  0.589911 0.272651  
1 1 1 45 36 2  o 2.15381  0.13256   4.68644      0.571016 4.07255      0.78141  5.38989      0.836477 1.99583  0.195761  2.29949  0.181883  
1 1 1 45 36 3  o 1.83438  0.183163  3.43122      0.671981 3.11678      1.04048  3.65622      0.88016  1.69204  0.319137  1.88213  0.23382   
1 1 1 45 36 4  o 2.45188  0.137625  6.07921      0.674882 5.68947      1.05576  6.34851      0.8776   2.35035  0.224596  2.49685  0.175741  
1 1 1 45 36 5  o 2.53381  0.159014  6.51786      0.805824 6.11132      1.14289  6.91977      1.13635  2.43188  0.234981  2.59321  0.219101  
1 1 1 45 36 6  o 4.55529  0.105718  20.8928      0.963152 21.5776      1.35934  20.2025      1.36488  4.61435  0.147295  4.46259  0.152925  
1 1 1 45 36 7  o 2.12931  0.189083  4.63568      0.805233 4.28494      1.12838  4.99965      1.14946  2.02065  0.279211  2.18863  0.262598  
1 1 1 45 36 8  o 1.78369  0.222904  3.2842       0.795185 3.81546      1.16846  2.82591      1.08526  1.89539  0.308238  1.59133  0.350446  
1 1 1 45 36 9  o 0.725946 0.308086  0.104969     0.778734 0.185541     1.14365  0.0353163    1.06333  0.872345 0.371883  0.817833 0.353825  
1 1 1 45 36 10 o 0.857828 0.323622  0.629598     0.757413 0.439045     1.08339  0.81177      1.0593   0.90286  0.371931  0.981977 0.379297  
1 1 1 45 36 11 o 1.06969  0.336841  1.24912      0.80301  0.982809     1.11835  1.53255      1.15373  1.03524  0.39245   1.18574  0.404943  
1 1 1 45 36 12 o 4.83124  0.118438  23.5892      1.14441  27.0968      1.58916  19.8106      1.6494   5.1592   0.154012  4.39252  0.187751  
1 1 1 45 36 13 o 3.31268  0.139089  11.1373      0.921516 10.4699      1.28278  11.8489      1.32467  3.18635  0.201293  3.39276  0.19522   
1 1 1 45 36 14 o 1.88499  0.231985  3.71502      0.874579 3.66141      1.2352   3.76892      1.23849  1.79613  0.356521  1.82551  0.35177   
1 1 1 45 36 15 o 3.0809   0.152007  9.6853       0.936639 10.6255      1.32106  8.73494      1.32818  3.20005  0.206412  2.88888  0.229878  
1 1 1 45 36 16 o 1.24551  0.332135  1.77905      0.842776 0.20883      1.22066  3.20936      1.16501  0.88069  0.380034  1.66426  0.360189  
1 1 1 45 36 17 o 0.844885 0.33232   0.587523     0.821534 2.70831      1.20034  -1.28133     1.12679  1.49304  0.395577  0.639612 0.306795  
1 1 1 45 36 18 o 3.09626  0.14608   9.83552      0.904604 8.78082      1.25311  10.9832      1.30721  2.88206  0.217399  3.23525  0.202026  
1 1 1 45 36 19 o 1.21935  0.331605  1.75576      0.829915 2.69205      1.16229  0.781841     1.18541  1.47603  0.388426  0.960638 0.39126   
1 1 1 45 36 20 o 1.65398  0.25054   2.98133      0.828775 2.74414      1.15801  3.2304       1.18664  1.47801  0.387142  1.61925  0.373729  
1 1 1 45 36 21 f 0.659241 0.294032  -0.0888013   0.790586 0.240223     1.11818  -0.417688    1.11794  0.819842 0.358779  0.71861  0.331743  
1 1 1 45 36 22 o 0.836984 0.336088  0.656436     0.858558 1.97771      1.1984   -0.736826    1.23061  1.20357  0.412686  0.704543 0.332099  
1 1 1 45 36 23 o 1.58654  0.294818  3.00152      0.900484 2.07244      1.26222  3.9645       1.28504  1.20676  0.422585  1.73847  0.380055  
1 1 1 45 36 24 o 0.858481 0.341164  0.839997     0.874128 -0.0528527   1.22732  1.75917      1.24528  0.760001 0.349567  1.08885  0.413727  
1 1 1 45 36 25 o 1.2297   0.344243  2.08547      0.879825 2.81585      1.24057  1.34633      1.24798  1.33638  0.418247  0.973299 0.399768  
1 1 1 45 36 26 o 0.681902 0.311073  0.0555578    0.948873 -0.102532    1.37817  0.19804      1.30837  0.746988 0.351913  0.770329 0.356865  
1 1 1 45 36 27 o 0.843632 0.349428  1.0749       0.963425 0.996718     1.29065  1.17329      1.44784  0.832532 0.373384  0.859469 0.389942  
1 1 1 45 36 28 o 0.818874 0.347859  1.00722      0.994415 -0.631183    1.34421  2.98775      1.47791  0.652335 0.317977  1.14001  0.446427  
1 1 1 45 37 0  o 4.06755  0.118982  16.659       0.966055 16.659       0.966055 16.659       0.966055 4.07453  0.0839064 ?        ?         
1 1 1 45 37 1  o 1.07532  0.252701  1.2471       0.534871 1.87091      0.752344 0.609582     0.760565 1.30929  0.294463  0.856929 0.323996  
1 1 1 45 37 2  o 1.36653  0.216485  1.92143      0.591665 2.03912      0.839987 1.80554      0.833532 1.36184  0.314515  1.27814  0.325192  
1 1 1 45 37 3  o 2.3342   0.149892  5.52471      0.699757 6.01524      1.14598  5.23307      0.883615 2.41008  0.237747  2.26056  0.195441  
1 1 1 45 37 4  o 2.45199  0.147127  6.09452      0.721507 6.1176       1.07943  6.07588      0.970043 2.43549  0.221604  2.43427  0.199247  
1 1 1 45 37 5  o 4.562    0.105868  20.9623      0.965943 22.4158      1.40467  19.6584      1.33044  4.70056  0.149415  4.40124  0.151145  
1 1 1 45 37 6  o 2.42904  0.167969  6.0104       0.816006 7.25756      1.19678  4.92685      1.11552  2.64949  0.22585   2.17262  0.256721  
1 1 1 45 37 7  o 1.26169  0.314409  1.76278      0.791426 2.13206      1.19149  1.47121      1.05873  1.3667   0.406385  1.16527  0.387912  
1 1 1 45 37 8  o 0.847941 0.329393  0.555524     0.801261 0.393566     1.15538  0.705593     1.11216  0.913992 0.380864  0.969542 0.384972  
1 1 1 45 37 9  o 2.5503   0.160557  6.6292       0.818936 6.14077      1.17153  7.09594      1.14522  2.42598  0.241454  2.61761  0.218753  
1 1 1 45 37 10 o 2.73216  0.154825  7.59976      0.846014 6.74937      1.20504  8.42633      1.18804  2.54464  0.236779  2.85655  0.20795   
1 1 1 45 37 11 o 2.90164  0.153727  8.57161      0.892124 8.36426      1.23573  8.79732      1.28928  2.84114  0.217471  2.91192  0.22138   
1 1 1 45 37 12 o 1.53413  0.294753  2.58396      0.872114 2.9267       1.23952  2.24795      1.22728  1.5875   0.392182  1.38806  0.412383  
1 1 1 45 37 13 o 1.29858  0.334898  1.91794      0.875178 2.47341      1.27102  1.41714      1.20685  1.44216  0.417046  1.14827  0.412089  
1 1 1 45 37 14 o 0.95847  0.341975  0.929112     0.830033 0.437274     1.14808  1.46772      1.20142  0.90944  0.379358  1.15906  0.41164   
1 1 1 45 37 15 o 2.36708  0.184617  5.79424      0.874008 4.56715      1.22483  7.06728      1.24755  2.04793  0.29904   2.58461  0.241343  
1 1 1 45 37 16 o 0.614439 0.281992  -0.429005    0.793817 0.337292     1.13935  -1.15191     1.10662  0.872261 0.371495  0.645161 0.308146  
1 1 1 45 37 17 o 1.88681  0.217344  3.76481      0.820175 3.53363      1.14278  4.01038      1.17782  1.74173  0.340196  1.89482  0.3108    
1 1 1 45 37 18 o 1.10716  0.3349    1.43891      0.804534 1.51441      1.12215  1.35904      1.15409  1.13039  0.398193  1.09156  0.401862  
1 1 1 45 37 19 o 0.80573  0.324724  0.507525     0.80564  1.16427      1.12245  -0.190318    1.15703  1.02841  0.392199  0.772424 0.349614  
1 1 1 45 37 20 o 0.665107 0.298335  -0.127877    0.824205 -0.477809    1.12352  0.279876     1.2128   0.713493 0.330597  0.85089  0.372999  
1 1 1 45 37 21 o 1.0399   0.347568  1.34468      0.849958 0.451842     1.1643   2.3634       1.24367  0.85627  0.370346  1.30565  0.420078  
1 1 1 45 37 22 f 2.28709  0.192348  5.60683      0.879836 6.69858      1.28729  4.6497       1.20531  2.42752  0.265144  1.98579  0.303483  
1 1 1 45 37 23 o 0.955685 0.346879  1.1704       0.857242 2.36291      1.22436  0.0236511    1.20064  1.25593  0.417153  0.769185 0.350628  
1 1 1 45 37 24 o 1.05023  0.352053  1.54606      0.872035 1.27146      1.2255   1.82771      1.24114  0.960804 0.395647  1.08089  0.412354  
1 1 1 45 37 25 o 1.22818  0.362425  2.18605      0.950501 3.05658      1.36091  1.35698      1.32811  1.34051  0.4398    0.962085 0.405017  
1 1 1 45 37 26 o 0.654567 0.303988  -0.0104523   0.956939 0.168193     1.32035  -0.208123    1.38888  0.739028 0.347087  0.711389 0.341075  
1 1 1 45 37 27 o 0.675247 0.308241  0.207724     0.934368 -0.330978    1.28253  0.817055     1.36402  0.673018 0.323905  0.807941 0.370316  
1 1 1 45 37 28 o 0.649784 0.304742  0.218863     1.00487  0.990802     1.44094  -0.511979    1.40206  0.761864 0.359189  0.632586 0.311557  
1 1 1 45 38 0  o 0.559542 0.355017  0.198092     0.838652 0.198092     0.838652 0.198092     0.838652 0.489609 0.305549  ?        ?         
1 1 1 45 38 1  o 2.64182  0.113972  7.0395       0.602189 6.92641      0.868974 7.14398      0.835273 2.60779  0.166611  2.65098  0.15754   
1 1 1 45 38 2  o 1.28851  0.243839  1.77674      0.605523 2.07203      0.872234 1.50204      0.841282 1.36698  0.32364   1.16597  0.339982  
1 1 1 45 38 3  o 4.21563  0.110542  17.9191      0.932011 18.6636      1.34337  17.2281      1.29414  4.2845   0.15677   4.11625  0.157199  
1 1 1 45 38 4  o 2.0688   0.201971  4.40122      0.835675 3.91179      1.18168  4.89088      1.18197  1.91558  0.308438  2.15602  0.274108  
1 1 1 45 38 5  o 3.7127   0.127206  13.9436      0.944553 12.7488      1.40531  14.9281      1.27568  3.52088  0.199568  3.82594  0.166714  
1 1 1 45 38 6  o 4.05671  0.123817  16.644       1.00458  16.3064      1.48747  16.927       1.36217  3.98724  0.186529  4.07241  0.167244  
1 1 1 45 38 7  o 1.48847  0.292983  2.42509      0.841123 2.36509      1.23363  2.47721      1.14984  1.42697  0.410286  1.467    0.386474  
1 1 1 45 38 8  o 2.60778  0.16987   6.94873      0.885969 6.4993       1.2781   7.36445      1.22922  2.48811  0.256843  2.66063  0.231002  
1 1 1 45 38 9  o 0.616327 0.283457  -0.509597    0.806787 -0.731755    1.17468  -0.311231    1.11     0.734161 0.339355  0.770464 0.34589   
1 1 1 45 38 10 o 2.3528   0.189605  5.6896       0.892208 5.34498      1.27931  6.01594      1.24494  2.24235  0.285261  2.3908   0.26036   
1 1 1 45 38 11 o 1.82201  0.233487  3.47182      0.850832 1.82         1.21367  5.06816      1.19311  1.26031  0.415328  2.18398  0.273151  
1 1 1 45 38 12 f 1.68633  0.262388  3.0157       0.884945 2.78192      1.26993  3.23638      1.23386  1.53138  0.407406  1.67029  0.378104  
1 1 1 45 38 13 o 1.51722  0.291644  2.54665      0.853399 3.20604      1.20335  1.87945      1.21046  1.66206  0.371439  1.26871  0.414779  
1 1 1 45 38 14 o 1.89014  0.228037  3.76439      0.862043 1.50329      1.23312  5.92559      1.20557  1.1579   0.416451  2.35638  0.25581   
1 1 1 45 38 15 o 1.26701  0.32148   1.85761      0.81628  1.8709       1.12299  1.84272      1.18859  1.2452   0.399031  1.23563  0.411015  
1 1 1 45 38 16 o 0.887461 0.336073  0.758829     0.819404 1.33152      1.16207  0.192512     1.15558  1.09074  0.402995  0.844707 0.367199  
1 1 1 45 38 17 o 2.20086  0.190669  5.06995      0.839273 4.58565      1.16352  5.59524      1.21177  2.03701  0.285595  2.2632   0.267712  
1 1 1 45 38 18 o 2.99997  0.153244  9.29933      0.919455 9.19092      1.25281  9.4259       1.35364  2.93853  0.21317   2.96258  0.228457  
1 1 1 45 38 19 o 1.34248  0.325702  2.17388      0.866818 1.92795      1.19772  2.44436      1.2561   1.21397  0.41259   1.35166  0.420423  
1 1 1 45 38 20 o 0.9212   0.344002  0.961532     0.851254 1.88227      1.17726  -0.0473586   1.23233  1.18142  0.408649  0.792698 0.359695  
1 1 1 45 38 21 o 2.01119  0.213661  4.4008       0.859426 4.96811      1.22751  3.85531      1.20366  2.05987  0.297958  1.74509  0.357191  
1 1 1 45 38 22 o 1.76772  0.239565  3.53145      0.846969 4.04114      1.2078   3.03831      1.18804  1.76135  0.355315  1.47125  0.395256  
1 1 1 45 38 23 o 0.7322   0.315561  0.368738     0.839606 1.3482       1.20353  -0.55986     1.17187  0.981048 0.396267  0.676977 0.321069  
1 1 1 45 38 24 o 0.592319 0.278803  -0.454601    0.861367 -0.31984     1.23882  -0.58073     1.19849  0.711223 0.334649  0.673896 0.321587  
1 1 1 45 38 25 f 1.33314  0.350887  2.65516      0.948378 3.87185      1.34003  1.43419      1.34239  1.48991  0.427363  0.922802 0.398373  
1 1 1 45 38 26 o 0.599608 0.284438  -0.290929    0.920177 0.0145855    1.29515  -0.602345    1.30759  0.704527 0.335743  0.650017 0.316157  
1 1 1 45 38 27 f 0.693861 0.31506   0.417094     0.948871 -1.03455     1.29187  2.11766      1.39825  0.601277 0.296517  0.962462 0.410777  
1 1 1 45 39 0  o 4.58814  0.121978  21.2118      1.11751  21.2118      1.11751  21.2118      1.11751  4.59693  0.0860167 ?        ?         
1 1 1 45 39 1  o 1.14628  0.237244  1.41482      0.525501 1.24768      0.759351 1.56845      0.727981 1.06729  0.325865  1.18979  0.304615  
1 1 1 45 39 2  o 4.68886  0.0941444 22.1306      0.882859 20.2476      1.36143  23.4972      1.15978  4.46132  0.152582  4.82155  0.12027   
1 1 1 45 39 3  o 2.32499  0.150623  5.49728      0.700393 5.73572      1.13447  5.35043      0.890326 2.34431  0.241963  2.28093  0.195167  
1 1 1 45 39 4  o 1.45959  0.305749  2.35207      0.863833 2.02874      1.32846  2.58894      1.13704  1.33034  0.434526  1.5025   0.378342  
1 1 1 45 39 5  o 0.891351 0.341607  0.663524     0.85499  0.550843     1.35978  0.737201     1.09954  0.995454 0.413893  0.971107 0.383666  
1 1 1 45 39 6  o 3.13669  0.151508  10.0104      0.950467 10.0642      1.47929  9.97257      1.24038  3.10614  0.238123  3.11127  0.199336  
1 1 1 45 39 7  o 3.43403  0.13689   11.9617      0.94017  11.5248      1.3632   12.358       1.29837  3.34196  0.203952  3.46915  0.187132  
1 1 1 45 39 8  o 1.79556  0.249981  3.38079      0.897713 4.38488      1.27268  2.38649      1.26646  2.0173   0.31544   1.4282   0.417362  
1 1 1 45 39 9  o 4.0828   0.134158  16.9189      1.09548  15.2362      1.44802  19.1709      1.67516  3.84719  0.188193  4.31141  0.19427   
1 1 1 45 39 10 o 1.09287  0.341103  1.33286      0.825888 1.13804      1.18717  1.51558      1.14969  1.07518  0.405296  1.16886  0.40388   
1 1 1 45 39 11 o 1.08124  0.336825  1.30314      0.805822 1.963        1.11693  0.586863     1.16371  1.29701  0.395055  0.944102 0.386613  
1 1 1 45 39 12 o 2.34583  0.184407  5.68468      0.865178 5.89494      1.16273  5.42384      1.29503  2.35964  0.246379  2.24012  0.289053  
1 1 1 45 39 13 o 0.795036 0.325124  0.389855     0.821857 0.0701075    1.12015  0.762688     1.20956  0.821682 0.359344  0.977424 0.396245  
1 1 1 45 39 14 o 1.78711  0.239194  3.40623      0.854932 3.67581      1.25992  3.17618      1.16389  1.75922  0.3698    1.6354   0.365172  
1 1 1 45 39 15 o 0.749174 0.315054  0.253427     0.802238 -0.269309    1.1002   0.846927     1.1723   0.75176  0.340556  0.976492 0.392468  
1 1 1 45 39 16 o 1.25751  0.323498  1.8591       0.818119 2.1584       1.146    1.54804      1.16831  1.31386  0.400158  1.13972  0.405811  
1 1 1 45 39 17 o 0.602552 0.279588  -0.489838    0.807236 -1.13669     1.08452  0.313708     1.20876  0.629125 0.301576  0.866693 0.376136  
1 1 1 45 39 18 o 1.67912  0.257917  3.11805      0.866147 3.44053      1.23554  2.80644      1.21456  1.64911  0.381832  1.46572  0.402293  
1 1 1 45 39 19 o 0.9289   0.342604  0.990989     0.83915  2.4746       1.18042  -0.524812    1.19316  1.35127  0.405042  0.719275 0.336117  
1 1 1 45 39 20 o 2.08411  0.207306  4.70167      0.864095 5.40234      1.2603   4.0801       1.18702  2.15465  0.29246   1.81602  0.339412  
1 1 1 45 39 21 o 0.589489 0.275284  -0.424595    0.798665 0.582618     1.1395   -1.39717     1.11973  0.852009 0.367414  0.592752 0.289163  
1 1 1 45 39 22 o 0.914661 0.338937  1.07812      0.823208 1.44845      1.15141  0.690868     1.17741  1.00823  0.3942    0.855907 0.371337  
1 1 1 45 39 23 o 0.623688 0.289916  -0.269083    0.872975 -0.589377    1.16624  0.139083     1.31653  0.66677  0.317958  0.783605 0.361083  
1 1 1 45 39 24 o 0.986574 0.355008  1.49605      0.896192 2.26221      1.25082  0.687857     1.28467  1.1191   0.417174  0.818101 0.36944   
1 1 1 45 39 25 o 0.869937 0.351214  1.20248      0.944769 1.14025      1.38713  1.25633      1.29032  0.849745 0.383801  0.867841 0.38249   
1 1 1 45 39 26 o 0.556752 0.269766  -0.692354    0.936263 -1.04577     1.29035  -0.29942     1.36059  0.609451 0.300182  0.680538 0.328904  
1 1 1 45 40 0  o 2.47488  0.166105  6.27037      0.813679 6.27037      0.813679 6.27037      0.813679 2.48968  0.116124  ?        ?         
1 1 1 45 40 1  o 0.626924 0.25921   0.152217     0.528692 0.263311     0.76101  0.0485784    0.735034 0.754786 0.311459  0.692055 0.296676  
1 1 1 45 40 2  o 3.80542  0.105864  14.605       0.805714 13.6493      1.29489  15.2088      1.02922  3.65093  0.177338  3.87384  0.132842  
1 1 1 45 40 3  o 1.78042  0.207194  3.27394      0.737782 4.82821      1.07382  1.88419      1.0154   2.14651  0.250131  1.28639  0.373001  
1 1 1 45 40 4  f 3.19461  0.150487  10.383       0.961492 10.9195      1.44375  9.95534      1.2889   3.24328  0.222575  3.10419  0.207606  
1 1 1 45 40 5  o 2.08258  0.20607   4.47996      0.858314 3.66256      1.26973  5.16775      1.16473  1.79748  0.3659    2.21459  0.262967  
1 1 1 45 40 6  o 1.77011  0.24227   3.28216      0.857685 3.71355      1.26697  2.91724      1.1653   1.80876  0.363021  1.59371  0.372006  
1 1 1 45 40 7  o 2.74527  0.16321   7.70783      0.896112 6.75011      1.29537  8.58681      1.24097  2.52848  0.256156  2.87389  0.215904  
1 1 1 45 40 8  o 1.38825  0.318208  2.16881      0.865066 2.74047      1.20312  1.55693      1.24471  1.52771  0.391883  1.18703  0.41925   
1 1 1 45 40 9  o 0.811129 0.326167  0.435743     0.810243 1.09637      1.13029  -0.262566    1.16208  1.05498  0.395911  0.790001 0.354304  
1 1 1 45 40 10 o 1.07535  0.336394  1.29684      0.802639 -0.325914    1.10681  3.0968       1.16568  0.758613 0.342727  1.63361  0.365929  
1 1 1 45 40 11 o 4.36461  0.116906  19.3192      1.0205   17.7774      1.38767  21.1352      1.50599  4.15714  0.166902  4.53336  0.166101  
1 1 1 45 40 12 o 0.588837 0.274533  -0.579087    0.790242 -0.898694    1.09755  -0.235051    1.13873  0.670106 0.315212  0.774337 0.348849  
1 1 1 45 40 13 o 2.20397  0.197664  5.08459      0.87129  4.67348      1.17765  5.58177      1.29508  2.06395  0.285291  2.25424  0.287254  
1 1 1 45 40 14 o 0.836565 0.335796  0.545715     0.856621 1.82196      1.24408  -0.604862    1.18125  1.21916  0.420241  0.731207 0.338873  
1 1 1 45 40 15 o 1.22197  0.335762  1.77565      0.84548  2.3764       1.1304   1.01284      1.27378  1.38012  0.391445  1.02082  0.409591  
1 1 1 45 40 16 o 1.37541  0.320809  2.24195      0.867137 0.63575      1.18504  4.09319      1.27223  0.919209 0.384551  1.84104  0.358305  
1 1 1 45 40 17 o 1.6341   0.260696  2.96189      0.852006 4.03172      1.18404  1.81315      1.22694  1.83206  0.335655  1.17929  0.416273  
1 1 1 45 40 18 o 1.28394  0.320107  2.01999      0.820076 2.36067      1.18549  1.70735      1.13564  1.31586  0.408263  1.13623  0.400547  
1 1 1 45 40 19 o 1.46539  0.292837  2.55214      0.827893 2.23771      1.1932   2.84405      1.14965  1.27003  0.411752  1.46158  0.387086  
1 1 1 45 40 20 o 2.16942  0.197787  5.10869      0.858169 4.45801      1.2082   5.77123      1.21914  1.91315  0.315762  2.22684  0.273739  
1 1 1 45 40 21 o 0.759394 0.317943  0.500503     0.811056 -0.892242    1.14665  1.89498      1.14736  0.638745 0.307131  1.12356  0.401947  
1 1 1 45 40 22 o 1.08169  0.350664  1.648        0.865427 1.97743      1.17084  1.25126      1.2849   1.12278  0.405601  0.953423 0.399728  
1 1 1 45 40 23 o 0.982487 0.355129  1.43936      0.897693 1.2583       1.25059  1.63182      1.28936  0.921934 0.390799  0.992218 0.406738  
1 1 1 45 40 24 o 0.920819 0.347122  1.34152      0.87086  1.9854       1.20872  0.646523     1.25579  1.02251  0.402805  0.784375 0.357832  
1 1 1 45 40 25 o 0.704184 0.318438  0.364383     0.957728 -0.402254    1.37118  1.09466      1.33828  0.681039 0.329325  0.844444 0.379431  
1 1 1 45 40 26 o 0.889005 0.358225  1.60758      0.980219 0.632488     1.37847  2.60498      1.39414  0.714963 0.342066  0.969935 0.411951  
1 1 1 45 41 0  o 4.4255   0.162681  19.8752      1.43547  19.8752      1.43547  19.8752      1.43547  4.44192  0.114428  ?        ?         
1 1 1 45 41 1  o 3.69861  0.0909647 13.7727      0.672885 13.8162      0.934605 13.7259      0.969564 3.69282  0.126543  3.67872  0.13178   
1 1 1 45 41 2  o 1.12219  0.295359  1.39909      0.671973 0.227845     1.06058  2.18461      0.868555 0.84543  0.359195  1.39624  0.318036  
1 1 1 45 41 3  o 2.31725  0.177206  5.51285      0.821261 5.28486      1.15164  5.74877      1.17149  2.23698  0.257409  2.33629  0.250716  
1 1 1 45 41 4  o 2.45186  0.177381  6.17675      0.869826 7.99715      1.31438  4.75832      1.16023  2.76071  0.238052  2.11321  0.274518  
1 1 1 45 41 5  o 2.23258  0.185682  5.13508      0.829101 4.53041      1.13029  5.8394       1.21988  2.06177  0.274108  2.34815  0.259752  
1 1 1 45 41 6  o 3.82442  0.130687  14.8463      0.999603 14.2555      1.43277  15.4065      1.39528  3.71522  0.192825  3.87005  0.180266  
1 1 1 45 41 7  o 1.07645  0.343748  1.28773      0.833911 0.941738     1.17241  1.64201      1.18637  1.02319  0.398243  1.20386  0.410631  
1 1 1 45 41 8  o 2.01938  0.209961  4.2501       0.847986 4.60024      1.18575  3.88355      1.21319  2.06505  0.287099  1.84978  0.340698  
1 1 1 45 41 9  o 2.39783  0.177003  5.93522      0.848845 6.92911      1.22099  5.00549      1.18091  2.55874  0.238592  2.15596  0.273872  
1 1 1 45 41 10 o 2.15696  0.190641  4.83861      0.82241  4.09354      1.14912  5.62098      1.17753  1.93112  0.297525  2.28876  0.257241  
1 1 1 45 41 11 f 2.68288  0.158987  7.41044      0.853085 5.69764      1.16385  9.39916      1.25409  2.30257  0.252728  2.98991  0.20972   
1 1 1 45 41 12 o 1.69658  0.251066  3.10093      0.851904 3.50389      1.16173  2.63217      1.25299  1.72725  0.348507  1.44941  0.412452  
1 1 1 45 41 13 o 1.46166  0.308834  2.46178      0.874898 2.53099      1.1596   2.37031      1.33304  1.4285   0.393531  1.35984  0.434648  
1 1 1 45 41 14 o 2.47315  0.209085  6.47835      1.0342   6.88942      1.47744  6.08342      1.44815  2.47945  0.297937  2.31749  0.31244   
1 1 1 45 41 15 o 1.40905  0.314246  2.34365      0.862771 2.20511      1.16892  2.50944      1.27875  1.30654  0.405406  1.37924  0.423232  
1 1 1 45 41 16 o 0.652202 0.293703  -0.155444    0.806329 -0.0102498   1.14428  -0.298648    1.13641  0.7842   0.351644  0.739974 0.338681  
1 1 1 45 41 17 o 0.584497 0.272901  -0.481043    0.784428 -0.243276    1.12215  -0.708264    1.09698  0.735737 0.336662  0.667541 0.314333  
1 1 1 45 41 18 o 2.10508  0.20137   4.77659      0.8478   4.74373      1.20708  4.80859      1.19103  2.01136  0.300064  2.03197  0.293072  
1 1 1 45 41 19 o 0.515889 0.250113  -1.03157     0.806893 -1.53856     1.14536  -0.532009    1.13693  0.590227 0.288892  0.687173 0.322614  
1 1 1 45 41 20 o 0.789678 0.323137  0.620789     0.812358 0.821635     1.12714  0.40369      1.17186  0.877016 0.371346  0.809966 0.359765  
1 1 1 45 41 21 o 1.61239  0.259479  3.08204      0.836762 2.70063      1.1315   3.54239      1.24307  1.34142  0.395298  1.54727  0.399176  
1 1 1 45 41 22 o 0.897602 0.346758  1.11272      0.885415 1.45793      1.24324  0.757411     1.26128  0.970354 0.398859  0.846613 0.374992  
1 1 1 45 41 23 o 0.541405 0.262954  -0.813381    0.89892  -1.30262     1.28375  -0.342725    1.25914  0.600726 0.296087  0.675223 0.323981  
1 1 1 45 41 24 o 0.64679  0.29745   0.0858615    0.88827  -0.279519    1.26101  0.445726     1.25145  0.674116 0.323637  0.75224  0.348688  
1 1 1 45 41 25 o 0.732398 0.326801  0.717691     0.977551 0.851395     1.36249  0.57585      1.40334  0.762361 0.357056  0.735265 0.34996   
1 1 1 45 42 0  o 1.64406  0.276525  2.99776      0.831903 2.99776      0.831903 2.99776      0.831903 1.69271  0.178283  ?        ?         
1 1 1 45 42 1  o 1.33001  0.208375  1.83672      0.55428  1.53872      0.758187 2.17882      0.812354 1.16887  0.316539  1.39863  0.299124  
1 1 1 45 42 2  o 1.29352  0.268223  1.83578      0.670614 3.3669       1.1271   0.996692     0.834375 1.72688  0.338406  0.980014 0.343542  
1 1 1 45 42 3  o 0.789754 0.32692   0.309515     0.842527 -0.0770351   1.12849  0.796343     1.26643  0.808614 0.356872  1.01034  0.407154  
1 1 1 45 42 4  o 2.1507   0.216373  4.82508      0.930708 4.15876      1.3105   5.50315      1.32201  1.90879  0.356521  2.25838  0.292691  
1 1 1 45 42 5  o 2.27061  0.191449  5.33701      0.869413 5.33251      1.20434  5.3419       1.25638  2.23283  0.269691  2.22806  0.281944  
1 1 1 45 42 6  o 1.82832  0.237392  3.53301      0.868056 6.13863      1.2701   1.249        1.18913  2.39461  0.265199  1.09166  0.406794  
1 1 1 45 42 7  o 1.24283  0.337602  1.79102      0.860812 2.12365      1.23954  1.48117      1.19635  1.32246  0.418769  1.14668  0.410415  
1 1 1 45 42 8  f 0.728363 0.320176  -0.0281204   0.89872  0.319364     1.29635  -0.349678    1.24705  0.909624 0.392068  0.792441 0.360184  
1 1 1 45 42 9  o 0.836179 0.336899  0.519376     0.866833 0.181299     1.24414  0.838317     1.20842  0.86988  0.37958   0.985898 0.397547  
1 1 1 45 42 10 o 1.525    0.292     2.62853      0.858838 3.35943      1.19149  1.83809      1.23907  1.67825  0.365161  1.22686  0.419652  
1 1 1 45 42 11 o 1.93083  0.228015  3.97044      0.880513 3.42659      1.23189  4.53852      1.25902  1.68447  0.375377  2.01052  0.313109  
1 1 1 45 42 12 o 2.92664  0.161645  8.85876      0.94615  10.1674      1.31545  7.45608      1.36188  3.09801  0.212305  2.61637  0.260261  
1 1 1 45 42 13 o 1.10334  0.343654  1.45599      0.838873 2.94049      1.20535  0.0615667    1.16821  1.52894  0.392274  0.815224 0.361015  
1 1 1 45 42 14 o 1.22733  0.351012  1.85713      0.905296 2.0314       1.30947  1.69757      1.25296  1.24057  0.430803  1.15769  0.419449  
1 1 1 45 42 15 o 1.72371  0.241029  3.26308      0.830929 2.91335      1.15465  3.63876      1.1967   1.50268  0.38299   1.70763  0.361479  
1 1 1 45 42 16 o 1.88347  0.217299  3.85666      0.818552 4.54066      1.18003  3.22228      1.13642  1.97474  0.298781  1.58939  0.364991  
1 1 1 45 42 17 o 0.58362  0.273576  -0.529335    0.806158 -1.14213     1.15419  0.0543722    1.12647  0.635851 0.306324  0.775587 0.348312  
1 1 1 45 42 18 o 1.81716  0.231594  3.69337      0.841688 3.46162      1.19502  3.92151      1.18569  1.60262  0.378431  1.74193  0.352652  
1 1 1 45 42 19 o 0.675265 0.301224  0.0756543    0.830018 0.36874      1.1517   -0.241086    1.19727  0.800622 0.356049  0.724544 0.337848  
1 1 1 45 42 20 o 0.641782 0.290624  -0.0230661   0.800484 1.89735      1.14439  -1.86286     1.12011  1.10761  0.400908  0.544028 0.270046  
1 1 1 45 42 21 o 0.538841 0.259991  -0.797825    0.839361 -0.673755    1.16835  -0.930162    1.20665  0.65151  0.312478  0.635963 0.307771  
1 1 1 45 42 22 o 1.28447  0.339929  2.44309      0.887012 2.67265      1.25715  2.21553      1.25171  1.18787  0.421159  1.07748  0.413218  
1 1 1 45 42 23 o 0.680129 0.308557  0.282886     0.906419 -0.895827    1.27751  1.47784      1.28628  0.62229  0.304707  0.901173 0.389509  
1 1 1 45 42 24 o 0.774185 0.336384  0.870777     0.968906 -0.192616    1.32164  2.10634      1.42462  0.670705 0.324154  0.953401 0.410974  
1 1 1 45 43 0  o 2.37513  0.183889  5.83715      0.861476 5.83715      0.861476 5.83715      0.861476 2.39602  0.127952  ?        ?         
1 1 1 45 43 1  o 1.93116  0.152044  3.81807      0.587242 3.71371      0.778372 3.95596      0.894698 1.88648  0.206303  1.93683  0.23097   
1 1 1 45 43 2  o 2.21347  0.155713  5.02287      0.689331 5.43594      1.10532  4.75996      0.881828 2.26274  0.244244  2.13515  0.206503  
1 1 1 45 43 3  o 3.43159  0.132158  11.9932      0.907027 10.6696      1.25518  13.4398      1.31218  3.20224  0.195984  3.6036   0.182065  
1 1 1 45 43 4  o 2.45756  0.19181   6.28026      0.94277  6.22303      1.34838  6.335        1.31867  2.39384  0.281635  2.42155  0.272279  
1 1 1 45 43 5  o 3.80449  0.122357  14.7164      0.931013 14.8241      1.35552  14.6203      1.28094  3.7826   0.179179  3.76291  0.170207  
1 1 1 45 43 6  o 0.966209 0.338085  1.00929      0.807771 1.25611      1.1729   0.786603     1.11409  1.07838  0.403578  0.957622 0.383547  
1 1 1 45 43 7  o 1.00726  0.343817  1.13329      0.831708 2.30905      1.23089  0.145473     1.12823  1.36174  0.414707  0.830506 0.361941  
1 1 1 45 43 8  o 1.44882  0.307825  2.41019      0.865106 2.45775      1.26408  2.3683       1.18649  1.39777  0.419184  1.38094  0.404104  
1 1 1 45 43 9  o 1.05742  0.342873  1.29361      0.827366 0.977897     1.17528  1.6038       1.16494  1.00428  0.396696  1.15875  0.405954  
1 1 1 45 43 10 o 1.83082  0.237273  3.59709      0.868809 3.5683       1.25413  3.62366      1.20472  1.71409  0.376083  1.74277  0.357926  
1 1 1 45 43 11 o 2.20916  0.196582  5.1395       0.868566 4.20233      1.22444  6.0887       1.23227  1.91988  0.318885  2.35917  0.261166  
1 1 1 45 43 12 o 1.59243  0.255987  2.78327      0.815281 2.27725      1.1292   3.33429      1.17834  1.33524  0.395331  1.64658  0.367264  
1 1 1 45 43 13 o 0.84896  0.328941  0.702511     0.797994 -0.0285938   1.11379  1.47365      1.14388  0.775088 0.347258  1.09285  0.4003    
1 1 1 45 43 14 o 1.81143  0.260467  3.67422      0.943633 4.30819      1.37515  3.11005      1.29725  1.82763  0.387946  1.5142   0.415835  
1 1 1 45 43 15 o 0.9224   0.33621   0.987236     0.806059 -1.83878     1.15893  3.63535      1.12186  0.57913  0.285259  1.71675  0.338801  
1 1 1 45 43 16 o 0.910059 0.334938  0.961652     0.801649 2.30709      1.1612   -0.263473    1.10807  1.29118  0.404757  0.723291 0.332459  
1 1 1 45 43 17 o 0.908164 0.345987  0.992943     0.87279  2.07458      1.17541  -0.336364    1.30305  1.19304  0.40873   0.749828 0.350729  
1 1 1 45 43 18 o 0.61227  0.281083  -0.206553    0.789374 -0.845186    1.1001   0.471241     1.13333  0.629903 0.30238   0.81351  0.358515  
1 1 1 45 43 19 o 0.738387 0.31303   0.451899     0.802528 0.871499     1.11548  0.00167875   1.15547  0.872298 0.369388  0.737099 0.339095  
1 1 1 45 43 20 f 0.707925 0.308258  0.335217     0.81695  0.273837     1.13448  0.401331     1.1774   0.760634 0.345133  0.786641 0.35454   
1 1 1 45 43 21 o 0.781249 0.325572  0.772427     0.844353 1.04048      1.20989  0.517934     1.1789   0.85129  0.372867  0.768309 0.349479  
1 1 1 45 43 22 o 1.1556   0.348334  2.11171      0.871391 1.91767      1.234    2.3047       1.23067  0.98772  0.400307  1.07427  0.410385  
1 1 1 45 43 23 f 0.912341 0.354098  1.42791      0.925536 2.26236      1.3371   0.660298     1.28243  1.01544  0.414884  0.765275 0.354058  
1 1 1 45 44 0  o 0.515868 0.342039  -0.0423457   0.889848 -0.0423457   0.889848 -0.0423457   0.889848 0.436248 0.288631  ?        ?         
1 1 1 45 44 1  o 3.39937  0.106303  11.7084      0.722724 11.7469      1.00517  11.6672      1.03988  3.38402  0.148518  3.36914  0.154325  
1 1 1 45 44 2  o 2.52526  0.153148  6.55312      0.77348  6.46896      1.14773  6.62314      1.04694  2.46605  0.232706  2.51012  0.208543  
1 1 1 45 44 3  o 2.9906   0.143869  9.1646       0.86051  11.5518      1.24364  6.97193      1.1919   3.33042  0.186709  2.55917  0.232867  
1 1 1 45 44 4  o 3.04237  0.158826  9.53974      0.966413 8.68963      1.37508  10.3695      1.3585   2.84927  0.241303  3.13239  0.216847  
1 1 1 45 44 5  o 1.50615  0.278502  2.54211      0.807358 3.08335      1.12995  1.97761      1.15398  1.60884  0.360204  1.26732  0.404337  
1 1 1 45 44 6  o 0.66924  0.298263  -0.140579    0.812106 0.0401258    1.09771  -0.359072    1.20704  0.800569 0.352821  0.772407 0.351953  
1 1 1 45 44 7  o 1.40609  0.298569  2.26423      0.814269 2.50025      1.14667  2.02415      1.1565   1.42117  0.39125   1.276    0.404542  
1 1 1 45 44 8  o 0.591054 0.276903  -0.624713    0.821601 -0.731477    1.16022  -0.517321    1.16362  0.704767 0.329975  0.73356  0.338572  
1 1 1 45 44 9  o 0.947417 0.337703  0.986021     0.809253 -0.0959054   1.12812  2.13295      1.16152  0.77999  0.34947   1.2969   0.404464  
1 1 1 45 44 10 o 1.35707  0.309445  2.16402      0.821546 1.14236      1.16807  3.1642       1.15572  1.02407  0.397727  1.60359  0.367958  
1 1 1 45 44 11 o 0.578327 0.27187   -0.649636    0.813989 -1.10222     1.14024  -0.179291    1.16239  0.647566 0.310129  0.7681   0.348754  
1 1 1 45 44 12 o 2.10568  0.21187   4.77003      0.892261 4.33303      1.30851  5.14982      1.21985  1.86693  0.363411  2.12536  0.286975  
1 1 1 45 44 13 o 1.16183  0.340526  1.69537      0.841869 0.0155043    1.23337  3.16079      1.15196  0.801613 0.361991  1.56668  0.37258   
1 1 1 45 44 14 f 0.627303 0.291407  -0.432432    0.88015  -0.287699    1.30128  -0.554476    1.19494  0.774475 0.357678  0.712988 0.334012  
1 1 1 45 44 15 o 1.97162  0.215822  4.25322      0.851038 4.54442      1.18147  3.93919      1.22691  1.95894  0.301559  1.74962  0.3628    
1 1 1 45 44 16 o 0.883595 0.342467  0.918878     0.865112 1.19606      1.21518  0.634017     1.2319   0.972846 0.396173  0.86913  0.378494  
1 1 1 45 44 17 o 0.489419 0.239338  -1.12132     0.781557 -1.39005     1.0986   -0.845942    1.1121   0.577517 0.282733  0.631985 0.303536  
1 1 1 45 44 18 o 2.78375  0.171615  8.37996      0.955466 8.34526      1.36696  8.41312      1.33604  2.65761  0.257178  2.68107  0.249162  
1 1 1 45 44 19 o 0.95491  0.339395  1.28065      0.816858 1.03275      1.14478  1.5378       1.16594  0.889605 0.375336  0.995597 0.394531  
1 1 1 45 44 20 o 0.885209 0.340306  1.17922      0.850592 1.6844       1.21324  0.690873     1.19286  0.971213 0.39574   0.794776 0.357606  
1 1 1 45 44 21 o 0.785319 0.328719  0.851131     0.866644 0.00779226   1.22834  1.68705      1.22292  0.694349 0.329027  0.942246 0.392187  
1 1 1 45 44 22 o 0.62232  0.287604  0.0356225    0.843206 1.12408      1.20366  -1.01329     1.18159  0.832625 0.367876  0.586815 0.28906   
1 1 1 45 44 23 o 0.559145 0.270819  -0.427846    0.941646 -0.420654    1.29027  -0.436042    1.37737  0.617701 0.303588  0.627625 0.309118  
1 1 1 45 45 0  o 1.91681  0.357324  4.26955      1.22818  4.26955      1.22818  4.26955      1.22818  2.0009   0.22336   ?        ?         
1 1 1 45 45 1  o 0.62029  0.376758  0.488793     0.851725 0.488793     0.851725 0.488793     0.851725 0.578116 0.332169  ?        ?         
1 1 1 45 45 2  o 0.878432 0.478535  1.3126       1.17382  1.3126       1.17382  1.3126       1.17382  0.907601 0.418633  ?        ?         
1 1 1 45 45 3  o 1.42546  0.473676  2.83421      1.19812  2.83421      1.19812  2.83421      1.19812  1.56886  0.302895  ?        ?         
1 1 1 45 45 4  o 0.655014 0.421368  0.333694     1.22303  0.333694     1.22303  0.333694     1.22303  0.583609 0.366071  ?        ?         
1 1 1 45 45 5  o 1.1771   0.487394  2.16072      1.13492  2.16072      1.13492  2.16072      1.13492  1.31091  0.354803  ?        ?         
1 1 1 45 45 6  o 1.92179  0.344619  4.2743       1.19714  4.2743       1.19714  4.2743       1.19714  2.00309  0.217126  ?        ?         
1 1 1 45 45 7  o 0.803634 0.462037  1.07476      1.16608  1.07476      1.16608  1.07476      1.16608  0.804494 0.410692  ?        ?         
1 1 1 45 45 8  o 1.49694  0.473908  3.11073      1.24398  3.11073      1.24398  3.11073      1.24398  1.64901  0.294934  ?        ?         
1 1 1 45 45 9  o 1.10096  0.497555  2.02899      1.16995  2.02899      1.16995  2.02899      1.16995  1.22927  0.384684  ?        ?         
1 1 1 45 45 10 o 0.500855 0.347938  -0.563482    1.14726  -0.563482    1.14726  -0.563482    1.14726  0.407249 0.284686  ?        ?         
1 1 1 45 45 11 o 1.73229  0.401968  3.77425      1.2099   3.77425      1.2099   3.77425      1.2099   1.85445  0.239637  ?        ?         
1 1 1 45 45 12 o 0.530297 0.363019  -0.30584     1.15671  -0.30584     1.15671  -0.30584     1.15671  0.442245 0.303422  ?        ?         
1 1 1 45 45 13 o 0.805562 0.457758  1.16961      1.12949  1.16961      1.12949  1.16961      1.12949  0.828696 0.407636  ?        ?         
1 1 1 45 45 14 o 0.599404 0.39866   0.149135     1.22253  0.149135     1.22253  0.149135     1.22253  0.527473 0.344799  ?        ?         
1 1 1 45 45 15 o 1.54155  0.467719  3.42271      1.25595  3.42271      1.25595  3.42271      1.25595  1.71991  0.280754  ?        ?         
1 1 1 45 45 16 o 0.450708 0.319639  -0.79927     1.10858  -0.79927     1.10858  -0.79927     1.10858  0.363787 0.260342  ?        ?         
1 1 1 45 45 17 o 0.386112 0.280969  -1.58175     1.09826  -1.58175     1.09826  -1.58175     1.09826  0.298464 0.220126  ?        ?         
1 1 1 45 45 18 o 0.597599 0.39555   0.351076     1.18335  0.351076     1.18335  0.351076     1.18335  0.54567  0.350165  ?        ?         
1 1 1 45 45 19 o 1.89517  0.390462  4.8111       1.30664  4.8111       1.30664  4.8111       1.30664  2.06401  0.23036   ?        ?         
1 1 1 45 45 20 o 0.534077 0.366465  0.0475909    1.19378  0.0475909    1.19378  0.0475909    1.19378  0.474424 0.319767  ?        ?         
1 1 1 45 45 21 f 0.557841 0.377434  0.25403      1.19493  0.25403      1.19493  0.25403      1.19493  0.508302 0.335611  ?        ?         
1 1 1 45 45 22 o 0.536403 0.371063  0.225294     1.26922  0.225294     1.26922  0.225294     1.26922  0.491971 0.331016  ?        ?         
1 1 1 46 0  0  o 7.18276  0.143022  51.6715      2.05275  51.6715      2.05275  51.6715      2.05275  7.18553  0.101048  ?        ?         
1 1 1 46 0  1  o 7.71405  0.113197  59.5581      1.74556  59.5581      1.74556  59.5581      1.74556  7.71572  0.0800053 ?        ?         
1 1 1 46 0  2  o 4.82013  0.121552  23.2839      1.1701   23.2839      1.1701   23.2839      1.1701   4.82274  0.0858413 ?        ?         
1 1 1 46 0  3  o 22.1494  0.231223  491.228      10.2404  491.228      10.2404  491.228      10.2404  22.1565  0.163427  ?        ?         
1 1 1 46 0  4  o 2.11086  0.192461  4.56887      0.796982 4.56887      0.796982 4.56887      0.796982 2.12458  0.133844  ?        ?         
1 1 1 46 0  5  o 27.5538  0.278558  760.622      15.3471  760.622      15.3471  760.622      15.3471  27.5665  0.196857  ?        ?         
1 1 1 46 0  6  o 6.38361  0.103859  40.7923      1.3252   40.7923      1.3252   40.7923      1.3252   6.38525  0.0733984 ?        ?         
1 1 1 46 0  7  o 11.6918  0.12546   136.794      2.93295  136.794      2.93295  136.794      2.93295  11.6938  0.0886867 ?        ?         
1 1 1 46 0  8  o 0.673685 0.371585  0.638644     0.716033 0.638644     0.716033 0.638644     0.716033 0.656452 0.32429   ?        ?         
1 1 1 46 0  9  f 9.0483   0.108457  81.9324      1.96208  81.9324      1.96208  81.9324      1.96208  9.04998  0.0766644 ?        ?         
1 1 1 46 0  10 o 9.53921  0.108868  91.0627      2.07641  91.0627      2.07641  91.0627      2.07641  9.54095  0.0769558 ?        ?         
1 1 1 46 0  11 o 10.5855  0.129116  112.161      2.7326   112.161      2.7326   112.161      2.7326   10.5881  0.0912614 ?        ?         
1 1 1 46 0  12 o 14.2018  0.158576  201.939      4.50288  201.939      4.50288  201.939      4.50288  14.2061  0.11208   ?        ?         
1 1 1 46 0  13 o 1.49635  0.317531  2.5249       0.835147 2.5249       0.835147 2.5249       0.835147 1.5513   0.197531  ?        ?         
1 1 1 46 0  14 o 8.75788  0.115619  76.7855      2.02436  76.7855      2.02436  76.7855      2.02436  8.76031  0.0817163 ?        ?         
1 1 1 46 0  15 o 7.96524  0.119898  63.5353      1.90906  63.5353      1.90906  63.5353      1.90906  7.96809  0.0847289 ?        ?         
1 1 1 46 0  16 o 4.63563  0.113187  21.5429      1.04797  21.5429      1.04797  21.5429      1.04797  4.63854  0.0799308 ?        ?         
1 1 1 46 0  17 o 10.5037  0.129413  110.496      2.7177   110.496      2.7177   110.496      2.7177   10.5077  0.0914582 ?        ?         
1 1 1 46 0  18 f 7.21019  0.108798  52.0662      1.5681   52.0662      1.5681   52.0662      1.5681   7.21294  0.0768825 ?        ?         
1 1 1 46 0  19 o 8.67118  0.115504  75.3093      2.00231  75.3093      2.00231  75.3093      2.00231  8.67462  0.0816248 ?        ?         
1 1 1 46 0  20 o 5.71145  0.109768  32.6926      1.25283  32.6926      1.25283  32.6926      1.25283  5.7146   0.0775427 ?        ?         
1 1 1 46 0  21 o 4.37869  0.124435  19.2494      1.08773  19.2494      1.08773  19.2494      1.08773  4.38307  0.0878197 ?        ?         
1 1 1 46 0  22 o 3.7473   0.134262  14.1247      1.00331  14.1247      1.00331  14.1247      1.00331  3.75282  0.0946582 ?        ?         
1 1 1 46 0  23 o 2.6047   0.197392  6.93469      1.01472  6.93469      1.01472  6.93469      1.01472  2.61934  0.137836  ?        ?         
1 1 1 46 0  24 o 3.19164  0.174999  10.3239      1.10939  10.3239      1.10939  10.3239      1.10939  3.20249  0.122887  ?        ?         
1 1 1 46 0  25 o 0.909188 0.456522  1.26496      1.00978  1.26496      1.00978  1.26496      1.00978  0.942433 0.385965  ?        ?         
1 1 1 46 0  26 o 3.17129  0.193455  10.2351      1.21654  10.2351      1.21654  10.2351      1.21654  3.18538  0.135586  ?        ?         
1 1 1 46 0  27 o 2.19053  0.279207  5.09734      1.17859  5.09734      1.17859  5.09734      1.17859  2.22592  0.190407  ?        ?         
1 1 1 46 0  28 o 1.75534  0.365366  3.53154      1.1306   3.53154      1.1306   3.53154      1.1306   1.82783  0.226536  ?        ?         
1 1 1 46 0  29 o 0.69015  0.423701  0.50212      1.10206  0.50212      1.10206  0.50212      1.10206  0.62728  0.370188  ?        ?         
1 1 1 46 0  30 o 0.533967 0.364215  -0.462443    1.1439   -0.462443    1.1439   -0.462443    1.1439   0.431382 0.297684  ?        ?         
1 1 1 46 0  31 o 0.471315 0.331627  -0.978638    1.13706  -0.978638    1.13706  -0.978638    1.13706  0.36776  0.263292  ?        ?         
1 1 1 46 0  32 o 0.577427 0.386474  -0.209988    1.19312  -0.209988    1.19312  -0.209988    1.19312  0.479996 0.32234   ?        ?         
1 1 1 46 0  33 o 0.78242  0.460187  0.88489      1.19763  0.88489      1.19763  0.88489      1.19763  0.751465 0.407294  ?        ?         
1 1 1 46 0  34 o 1.9975   0.357769  4.58235      1.29212  4.58235      1.29212  4.58235      1.29212  2.07764  0.225986  ?        ?         
1 1 1 46 0  35 o 0.948454 0.496539  1.55178      1.22469  1.55178      1.22469  1.55178      1.22469  1.00449  0.427052  ?        ?         
1 1 1 46 0  36 o 0.650217 0.417553  0.385024     1.19305  0.385024     1.19305  0.385024     1.19305  0.58542  0.364988  ?        ?         
1 1 1 46 0  37 o 1.03889  0.518758  1.99557      1.30107  1.99557      1.30107  1.99557      1.30107  1.1572   0.429514  ?        ?         
1 1 1 46 0  38 o 0.666251 0.433212  0.520827     1.34339  0.520827     1.34339  0.520827     1.34339  0.615089 0.384971  ?        ?         
1 1 1 46 0  39 o 0.392891 0.292187  -3.68556     1.60211  -3.68556     1.60211  -3.68556     1.60211  0.298393 0.223409  ?        ?         
1 1 1 46 0  40 o 0.559671 0.408653  -1.7574      2.38133  -1.7574      2.38133  -1.7574      2.38133  0.474157 0.345654  ?        ?         
1 1 1 46 0  41 o 0.73228  0.488177  1.60536      1.85926  1.60536      1.85926  1.60536      1.85926  0.76943  0.467695  ?        ?         
1 1 1 46 1  0  o 0.476378 0.317456  -0.179122    0.784402 -0.179122    0.784402 -0.179122    0.784402 0.38963  0.261565  ?        ?         
1 1 1 46 1  1  o 19.509   0.138324  380.873      5.39712  378.611      7.58868  383.189      7.67745  19.4439  0.195143  19.5609  0.196244  
1 1 1 46 1  2  o 13.4201  0.104984  180.176      2.8178   178.011      3.95193  182.416      4.01886  13.3364  0.148163  13.5004  0.148843  
1 1 1 46 1  3  o 11.0645  0.0901356 122.464      1.99462  123.275      2.88772  121.723      2.75836  11.0992  0.130087  11.0294  0.125046  
1 1 1 46 1  4  o 6.98482  0.0776764 48.7999      1.08511  51.4144      1.67968  46.9271      1.42157  7.16832  0.11716   6.84879  0.103783  
1 1 1 46 1  5  o 16.193   0.117425  262.371      3.80293  263.498      5.40101  261.264      5.35557  16.2226  0.166466  16.1538  0.165768  
1 1 1 46 1  6  o 13.799   0.101463  190.502      2.80017  191.51       3.84646  189.364      4.0843   13.8325  0.139037  13.7539  0.148478  
1 1 1 46 1  7  o 8.28758  0.0747629 68.7026      1.23921  70.4293      1.759    67.0012      1.74608  8.38997  0.104827  8.18315  0.106687  
1 1 1 46 1  8  o 6.7976   0.0696485 46.219       0.946884 46.412       1.31096  46.0084      1.36913  6.811    0.0962384 6.78116  0.100951  
1 1 1 46 1  9  o 9.07889  0.0780477 82.4543      1.41717  82.7658      1.99242  82.1354      2.01617  9.09454  0.109539  9.05974  0.111271  
1 1 1 46 1  10 o 6.19054  0.0728411 38.335       0.901851 38.5216      1.25945  38.1385      1.29199  6.20466  0.101493  6.1736   0.104638  
1 1 1 46 1  11 o 6.05395  0.0771036 36.6646      0.933563 35.4285      1.31989  37.902       1.32063  5.94977  0.110919  6.15412  0.107296  
1 1 1 46 1  12 o 4.84675  0.0798079 23.5017      0.773617 22.7723      1.16383  24.0791      1.0355   4.76945  0.122009  4.90506  0.105554  
1 1 1 46 1  13 o 8.40326  0.0853776 70.6567      1.4349   73.3758      2.09916  68.2718      1.96589  8.56069  0.122605  8.25787  0.119032  
1 1 1 46 1  14 o 6.43713  0.0743281 41.4585      0.956919 42.3968      1.40242  40.6411      1.30898  6.50768  0.107751  6.37183  0.102716  
1 1 1 46 1  15 o 11.0017  0.0987684 121.165      2.17324  122.655      3.10678  119.737      3.04114  11.0633  0.140409  10.9311  0.139105  
1 1 1 46 1  16 o 5.03755  0.0775177 25.3948      0.780999 25.2627      1.09445  25.532       1.11483  5.02268  0.10895   5.04928  0.110395  
1 1 1 46 1  17 o 8.54837  0.0826002 73.1419      1.41219  73.2797      2.04735  73.0167      1.95045  8.5521   0.119699  8.53747  0.114229  
1 1 1 46 1  18 o 2.40637  0.124942  5.80402      0.601315 5.22881      0.846051 6.39117      0.854791 2.2808   0.185473  2.52267  0.169422  
1 1 1 46 1  19 o 1.90235  0.155032  3.63354      0.58985  3.38922      0.826756 3.88684      0.841796 1.83311  0.225507  1.96388  0.214319  
1 1 1 46 1  20 o 3.56146  0.0954418 12.706       0.679824 12.6267      0.965691 12.784       0.957199 3.54714  0.136122  3.56936  0.134086  
1 1 1 46 1  21 o 2.89876  0.112796  8.42512      0.653939 9.53244      0.931177 7.34759      0.918569 3.08017  0.151157  2.70256  0.169944  
1 1 1 46 1  22 o 5.65444  0.0828165 32.0246      0.936562 32.5671      1.31668  31.469       1.33246  5.69777  0.115543  5.60036  0.118962  
1 1 1 46 1  23 o 3.98075  0.10021   15.8905      0.797822 16.5491      1.1343   15.2457      1.12237  4.05718  0.13979   3.89347  0.144135  
1 1 1 46 1  24 o 3.37095  0.121599  11.415       0.819808 11.4492      1.15259  11.38        1.1663   3.36849  0.171084  3.35785  0.173667  
1 1 1 46 1  25 o 1.27958  0.294439  1.75125      0.738339 1.91128      1.04338  1.59073      1.04496  1.32986  0.37572   1.22814  0.383756  
1 1 1 46 1  26 o 2.53254  0.161409  6.47483      0.817546 5.95135      1.15173  7.00648      1.16069  2.41435  0.238518  2.62341  0.221218  
1 1 1 46 1  27 o 2.91711  0.14864   8.58508      0.867198 9.29553      1.26819  7.96112      1.18849  3.02199  0.209827  2.79604  0.212531  
1 1 1 46 1  28 o 0.554338 0.26167   -0.842349    0.769273 -1.99778     1.08839  0.311066     1.08744  0.575134 0.281531  0.890618 0.370207  
1 1 1 46 1  29 o 1.6417   0.261542  2.80029      0.858744 2.65317      1.22302  2.94336      1.20605  1.5329   0.396167  1.62137  0.378451  
1 1 1 46 1  30 o 4.04018  0.116835  16.4617      0.944071 16.8615      1.31     16.0297      1.36174  4.07328  0.160804  3.96713  0.171628  
1 1 1 46 1  31 o 3.30212  0.138225  11.0567      0.912871 11.1988      1.31776  10.9255      1.2658   3.29876  0.199736  3.26083  0.194091  
1 1 1 46 1  32 o 1.27496  0.328227  1.82402      0.841754 1.79165      1.19698  1.85568      1.18397  1.25875  0.412463  1.27652  0.409787  
1 1 1 46 1  33 o 2.33871  0.189825  5.64399      0.88789  6.3822       1.25677  4.90836      1.25457  2.45591  0.255866  2.13515  0.293788  
1 1 1 46 1  34 o 2.69151  0.169515  7.48255      0.912504 6.96592      1.2832   8.01106      1.29787  2.54816  0.25179   2.74361  0.236526  
1 1 1 46 1  35 o 1.36739  0.324685  2.19639      0.875875 2.95376      1.24296  1.44938      1.23443  1.53588  0.400531  1.11733  0.414845  
1 1 1 46 1  36 o 1.56548  0.289743  2.8389       0.873052 2.16942      1.21295  3.5586       1.25763  1.27614  0.415205  1.67312  0.383789  
1 1 1 46 1  37 o 1.49903  0.318629  2.74809      0.926566 2.53256      1.29254  2.97592      1.32895  1.33332  0.428179  1.44922  0.428827  
1 1 1 46 1  38 o 0.727715 0.324044  0.180658     0.95672  -0.166099    1.34114  0.539959     1.36519  0.76449  0.356899  0.859643 0.384816  
1 1 1 46 1  39 o 0.940353 0.394112  1.26731      1.24832  1.70655      1.97186  0.973542     1.61261  1.00666  0.45598   0.91075  0.412456  
1 1 1 46 1  40 o 0.609765 0.303165  -1.50727     1.44057  -3.29595     1.99451  0.443469     2.0829   0.618571 0.314088  0.803359 0.392363  
1 1 1 46 1  41 o 0.562351 0.279691  -1.11588     1.2316   -0.80386     1.79826  -1.39154     1.69025  0.649527 0.324764  0.610377 0.307139  
1 1 1 46 2  0  o 6.94389  0.100945  48.2582      1.40124  48.2582      1.40124  48.2582      1.40124  6.94535  0.0713469 ?        ?         
1 1 1 46 2  1  o 6.8654   0.0719187 47.1439      0.987501 47.3191      1.47482  47.0015      1.32953  6.87723  0.107225  6.85441  0.0969836 
1 1 1 46 2  2  o 12.2665  0.0929287 150.521      2.27981  149.444      3.28934  151.517      3.16268  12.22    0.134588  12.3049  0.128513  
1 1 1 46 2  3  o 11.2368  0.0903924 126.31       2.03144  128.541      2.95171  124.303      2.80006  11.3333  0.130223  11.1452  0.125617  
1 1 1 46 2  4  o 17.399   0.124812  302.936      4.34321  304.56       6.03627  301.194      6.25396  17.4398  0.173061  17.3421  0.180311  
1 1 1 46 2  5  o 0.77894  0.277103  0.519869     0.544633 1.35644      0.770054 -0.317458    0.770402 1.14631  0.322428  0.652505 0.290662  
1 1 1 46 2  6  o 4.29519  0.0776184 18.4542      0.666772 18.2007      0.943981 18.7065      0.941938 4.26494  0.110668  4.32384  0.108924  
1 1 1 46 2  7  o 8.88443  0.0770872 78.9576      1.36975  78.5755      1.92414  79.3501      1.95037  8.86158  0.108566  8.9051   0.109509  
1 1 1 46 2  8  o 5.27081  0.075591  27.7903      0.796852 28.6873      1.08816  26.753       1.17014  5.35453  0.101611  5.17051  0.113155  
1 1 1 46 2  9  f 5.48824  0.0745934 30.1307      0.818773 30.5898      1.1291   29.6215      1.18907  5.5291   0.102105  5.44064  0.109277  
1 1 1 46 2  10 o 11.1131  0.0896355 123.563      1.99225  122.381      2.78307  124.805      2.85317  11.057   0.125851  11.1658  0.127764  
1 1 1 46 2  11 o 10.3111  0.0906608 106.379      1.86962  101.533      2.62599  111.359      2.66246  10.0704  0.130382  10.5468  0.126221  
1 1 1 46 2  12 o 7.40269  0.0774898 54.8253      1.14727  54.4064      1.60591  55.2619      1.63957  7.37265  0.10891   7.4303   0.11033   
1 1 1 46 2  13 o 5.38546  0.0755889 29.0179      0.814163 28.8838      1.20578  29.1304      1.10377  5.37135  0.112242  5.39474  0.1023    
1 1 1 46 2  14 o 1.63673  0.187696  2.68868      0.614415 2.37097      0.9115   2.95325      0.83179  1.50453  0.313258  1.71332  0.242743  
1 1 1 46 2  15 o 4.55065  0.0814494 20.7238      0.741295 21.2373      1.06497  20.2411      1.03248  4.60495  0.115634  4.49569  0.11483   
1 1 1 46 2  16 o 1.46158  0.199317  2.14684      0.582637 2.55951      0.825457 1.73712      0.822497 1.59316  0.259063  1.28461  0.320766  
1 1 1 46 2  17 o 0.90033  0.286471  0.805706     0.579546 0.994252     0.818599 0.616232     0.820609 1.0185   0.341096  0.899474 0.337384  
1 1 1 46 2  18 o 6.30736  0.0759698 39.8185      0.958338 39.6831      1.33962  39.9604      1.37154  6.29386  0.106422  6.31558  0.108584  
1 1 1 46 2  19 o 3.26955  0.097875  10.7081      0.640015 10.5459      0.906023 10.8697      0.904215 3.24181  0.13974   3.29139  0.137361  
1 1 1 46 2  20 o 3.64039  0.0945919 13.276       0.688703 12.5391      0.954788 14.0753      0.994364 3.53467  0.13506   3.74517  0.132753  
1 1 1 46 2  21 o 2.00874  0.152917  4.05549      0.614341 3.52326      0.860099 4.60983      0.877789 1.8664   0.230417  2.13737  0.205343  
1 1 1 46 2  22 o 4.39558  0.0898332 19.3601      0.789738 18.3693      1.08339  20.4835      1.15363  4.27741  0.126641  4.51671  0.127707  
1 1 1 46 2  23 o 2.59863  0.1412    6.79146      0.733854 6.13945      1.0233   7.48185      1.05299  2.46272  0.207758  2.72085  0.193504  
1 1 1 46 2  24 o 2.17452  0.164428  4.76926      0.715105 6.28243      0.984447 3.07886      1.0405   2.49086  0.197611  1.70203  0.317478  
1 1 1 46 2  25 o 4.35148  0.107389  19.0142      0.934604 19.4913      1.28603  18.4801      1.36058  4.39788  0.146211  4.27928  0.158973  
1 1 1 46 2  26 f 2.36415  0.171962  5.65231      0.813089 6.00729      1.13683  5.28054      1.16339  2.42559  0.23434   2.26956  0.256304  
1 1 1 46 2  27 o 1.43281  0.285148  2.19086      0.78813  0.556691     1.09063  3.97689      1.14018  0.950001 0.379906  1.95925  0.290975  
1 1 1 46 2  28 f 0.752724 0.311869  0.207586     0.767805 0.687424     1.08136  -0.280294    1.09038  0.971881 0.381586  0.780862 0.346911  
1 1 1 46 2  29 o 1.53984  0.276481  2.54275      0.820547 2.22245      1.16973  2.85306      1.15134  1.40469  0.398126  1.59913  0.367483  
1 1 1 46 2  30 o 2.55356  0.165275  6.63522      0.84408  5.98459      1.16195  7.36217      1.22822  2.40123  0.241949  2.66793  0.230182  
1 1 1 46 2  31 o 4.82812  0.109934  23.5215      1.06155  23.5091      1.50748  23.5337      1.49512  4.80469  0.156875  4.80798  0.155483  
1 1 1 46 2  32 o 2.04403  0.210658  4.32749      0.861184 4.84746      1.22692  3.82254      1.20907  2.13174  0.287773  1.84885  0.339677  
1 1 1 46 2  33 o 1.10949  0.348093  1.39061      0.858599 1.19104      1.22015  1.58636      1.20842  1.08675  0.410525  1.18535  0.413634  
1 1 1 46 2  34 o 0.601397 0.281805  -0.666849    0.852523 -1.16901     1.20205  -0.158627    1.20928  0.67513  0.322149  0.804617 0.361129  
1 1 1 46 2  35 o 0.888618 0.340794  0.766584     0.851398 1.67547      1.20328  -0.144671    1.20484  1.16826  0.412254  0.795876 0.358678  
1 1 1 46 2  36 o 1.27378  0.33891   2.01086      0.878747 1.49259      1.25825  2.50433      1.22778  1.09003  0.415379  1.35997  0.414186  
1 1 1 46 2  37 o 0.722927 0.319719  0.0981021    0.912155 -0.76645     1.28869  0.966127     1.29128  0.711458 0.337077  0.95944  0.401402  
1 1 1 46 2  38 o 1.42614  0.370711  2.86576      1.06697  2.61584      1.52165  3.10749      1.4965   1.22274  0.459268  1.34186  0.461063  
1 1 1 46 2  39 o 1.11845  0.421654  2.25248      1.28506  3.33522      1.99472  1.48427      1.68019  1.17705  0.495975  0.950812 0.426236  
1 1 1 46 2  40 o 0.775638 0.362024  0.56372      1.37898  0.984604     1.91494  0.11037      1.98743  0.842471 0.403095  0.782586 0.382461  
1 1 1 46 3  0  o 5.04349  0.113152  25.4825      1.14006  25.4825      1.14006  25.4825      1.14006  5.04575  0.0799289 ?        ?         
1 1 1 46 3  1  o 14.0744  0.107223  198.191      3.01821  199.154      4.34395  197.293      4.19665  14.1046  0.153991  14.0389  0.149465  
1 1 1 46 3  2  o 4.80078  0.0724432 23.053       0.695568 23.1414      1.02206  22.9768      0.949323 4.80929  0.106259  4.79232  0.0990463 
1 1 1 46 3  3  o 8.81671  0.0753393 77.7549      1.32849  76.0131      1.81145  79.782       1.95419  8.71633  0.103911  8.92956  0.109422  
1 1 1 46 3  4  o 8.77175  0.0749392 76.9643      1.31469  76.5715      1.79449  77.4195      1.93159  8.74829  0.102562  8.79627  0.109796  
1 1 1 46 3  5  o 9.37682  0.0751384 87.9496      1.40912  85.8812      1.96212  90.1527      2.02496  9.2646   0.105893  9.49217  0.106665  
1 1 1 46 3  6  o 21.868   0.154329  478.811      6.74973  473.059      9.23765  485.4        9.88647  21.7242  0.212612  22.0027  0.224665  
1 1 1 46 3  7  o 7.5007   0.0723714 56.2769      1.08567  57.4093      1.55956  55.2121      1.51228  7.57467  0.102946  7.42836  0.101791  
1 1 1 46 3  8  o 3.91416  0.0787968 15.3262      0.616846 15.7022      0.896014 14.9875      0.850471 3.9611   0.113102  3.86999  0.10988   
1 1 1 46 3  9  o 4.8178   0.0721812 23.2188      0.69551  22.7019      1.01239  23.6808      0.957133 4.76295  0.106278  4.8648   0.0983734 
1 1 1 46 3  10 o 6.70589  0.069885  44.9839      0.937283 44.3179      1.31789  45.6656      1.33328  6.65492  0.0990165 6.75537  0.0986826 
1 1 1 46 3  11 o 9.05912  0.0819162 82.1088      1.48418  82.4808      2.0967   81.7351      2.10119  9.07732  0.115491  9.03613  0.116266  
1 1 1 46 3  12 o 0.891049 0.278595  0.792418     0.550611 1.50355      0.831751 0.237669     0.734625 1.20268  0.334065  0.761888 0.30883   
1 1 1 46 3  13 o 3.40434  0.092413  11.5992      0.62921  11.8123      0.912857 11.4064      0.868476 3.43394  0.132917  3.37461  0.128678  
1 1 1 46 3  14 o 2.117    0.14147   4.49137      0.598983 4.31794      0.876247 4.64349      0.820663 2.07299  0.211349  2.15067  0.190793  
1 1 1 46 3  15 o 6.9455   0.0776771 48.2741      1.07901  49.4387      1.51584  47.078       1.53627  7.02644  0.107867  6.85626  0.112034  
1 1 1 46 3  16 o 5.6525   0.0764346 31.9757      0.864092 31.1416      1.22248  32.8084      1.22154  5.57599  0.10962   5.72351  0.106713  
1 1 1 46 3  17 o 5.87469  0.0790215 34.5436      0.928454 32.9009      1.27432  36.4022      1.3555   5.7307   0.111184  6.0278   0.112438  
1 1 1 46 3  18 o 5.73936  0.0774295 32.9727      0.888791 33.1271      1.27487  32.8267      1.23975  5.74976  0.110863  5.7239   0.108296  
1 1 1 46 3  19 o 4.38899  0.0822811 19.2875      0.722263 19.5319      1.02355  19.0451      1.01933  4.41398  0.115945  4.35852  0.116935  
1 1 1 46 3  20 o 6.23063  0.0780705 38.8693      0.972858 38.2019      1.34282  39.6066      1.4114   6.17333  0.10876   6.28531  0.112277  
1 1 1 46 3  21 o 0.623916 0.267042  -0.0167118   0.593879 0.396803     0.845051 -0.420241    0.834786 0.842225 0.33521   0.659556 0.297828  
1 1 1 46 3  22 o 3.01811  0.116798  9.14187      0.705017 8.95523      0.993575 9.33114      1.00055  2.98167  0.166614  3.0439   0.164353  
1 1 1 46 3  23 o 1.54027  0.226024  2.40838      0.696275 2.85676      0.965298 1.9221       1.00528  1.64321  0.305149  1.33802  0.365445  
1 1 1 46 3  24 o 2.59475  0.136551  6.77453      0.708633 7.11213      0.993061 6.42427      1.01151  2.65124  0.187282  2.51756  0.200891  
1 1 1 46 3  25 o 3.48669  0.120696  12.2205      0.841659 13.0187      1.17429  11.3772      1.20695  3.59082  0.163513  3.35343  0.179958  
1 1 1 46 3  26 o 1.25574  0.314542  1.70108      0.789022 2.46072      1.14239  1.00814      1.09107  1.49794  0.380456  1.06382  0.390826  
1 1 1 46 3  27 o 1.08281  0.328499  1.24644      0.773315 1.01133      1.07033  1.50319      1.11853  1.05513  0.387145  1.19982  0.398717  
1 1 1 46 3  28 o 0.724834 0.303715  0.143067     0.741059 -0.139108    1.03597  0.438761     1.0605   0.783875 0.344171  0.907399 0.369906  
1 1 1 46 3  29 o 2.37763  0.177269  5.75848      0.842959 4.32454      1.19941  7.15811      1.18497  2.02754  0.295779  2.63621  0.224749  
1 1 1 46 3  30 o 2.59247  0.161965  6.83847      0.839779 7.28312      1.17212  6.36949      1.20377  2.65586  0.220666  2.47536  0.24315   
1 1 1 46 3  31 o 1.54321  0.288415  2.59828      0.857144 2.08488      1.20302  3.12764      1.22157  1.34464  0.410082  1.654    0.377458  
1 1 1 46 3  32 f 0.70091  0.306843  -0.0573998   0.818483 -1.03235     1.14638  0.956342     1.16897  0.682562 0.321385  1.02927  0.398265  
1 1 1 46 3  33 o 2.26833  0.196201  5.34654      0.890094 6.32932      1.25038  4.33689      1.26736  2.4362   0.256625  1.98289  0.319573  
1 1 1 46 3  34 o 0.623304 0.287782  -0.48365     0.841622 0.0281541    1.18179  -1.01035     1.19886  0.824338 0.364327  0.689707 0.32599   
1 1 1 46 3  35 o 2.51398  0.179557  6.61221      0.902808 5.2092       1.25159  8.13408      1.30352  2.15606  0.290249  2.74335  0.237578  
1 1 1 46 3  36 f 0.692202 0.308052  -0.0177662   0.863499 1.85192      1.25161  -1.71602     1.19285  1.16914  0.419654  0.601294 0.294429  
1 1 1 46 3  37 o 1.10942  0.362275  1.6367       0.923407 2.31537      1.31443  0.975387     1.29752  1.24681  0.431748  0.950119 0.400168  
1 1 1 46 3  38 o 2.23322  0.254895  5.87172      1.13847  5.84867      1.67024  5.89171      1.55591  1.95069  0.438767  2.02701  0.39798   
1 1 1 46 3  39 o 0.715076 0.335472  0.0376084    1.22133  0.746951     1.79481  -0.57411     1.66674  0.849025 0.400456  0.728899 0.355078  
1 1 1 46 3  40 o 0.809136 0.372441  0.825581     1.39603  0.509922     2.01789  1.11536      1.93338  0.812318 0.394358  0.854841 0.408057  
1 1 1 46 4  0  o 14.8334  0.157138  220.233      4.66058  220.233      4.66058  220.233      4.66058  14.8368  0.111073  ?        ?         
1 1 1 46 4  1  o 11.1693  0.0860455 124.799      1.92214  123.889      2.66935  125.778      2.77009  11.1267  0.119953  11.2109  0.123544  
1 1 1 46 4  2  o 7.50044  0.0746966 56.272       1.12052  57.9963      1.58576  54.5525      1.58354  7.6135   0.104141  7.38388  0.107229  
1 1 1 46 4  3  o 9.54916  0.0797731 91.2157      1.52353  91.4963      2.14267  90.9287      2.16673  9.56236  0.112037  9.53256  0.113649  
1 1 1 46 4  4  o 5.06683  0.0724396 25.6797      0.734078 26.3206      1.013    24.9711      1.06526  5.12907  0.0987506 4.99564  0.106619  
1 1 1 46 4  5  o 6.64298  0.069473  44.1406      0.923014 43.2892      1.28544  45.0468      1.3262   6.57777  0.0977106 6.70994  0.0988232 
1 1 1 46 4  6  o 10.4316  0.0847768 108.862      1.76871  108.841      2.43007  108.886      2.57927  10.4287  0.116509  10.4304  0.123642  
1 1 1 46 4  7  o 14.8075  0.109076  219.416      3.23027  218.407      4.45667  220.531      4.68875  14.7687  0.150882  14.8393  0.157984  
1 1 1 46 4  8  o 7.05752  0.0702971 49.824       0.992246 49.5413      1.40534  50.1051      1.40117  7.03634  0.0998629 7.0763   0.0990042 
1 1 1 46 4  9  o 11.812   0.0909301 139.6        2.14813  137.363      3.04113  141.828      3.0347   11.7135  0.129813  11.9026  0.127481  
1 1 1 46 4  10 o 3.15668  0.0908247 9.97063      0.573409 9.48115      0.824048 10.4301      0.798404 3.07711  0.1339    3.22774  0.123678  
1 1 1 46 4  11 o 3.95537  0.0871129 15.6545      0.689127 17.2074      0.961213 14.0122      0.988504 4.14591  0.115923  3.74062  0.132131  
1 1 1 46 4  12 o 10.5334  0.0867054 111.03       1.82661  111.059      2.65398  111.004      2.51782  10.5307  0.126011  10.5288  0.119568  
1 1 1 46 4  13 o 2.05533  0.140924  4.2332       0.579291 4.5967       0.823349 3.87686      0.815194 2.13986  0.192384  1.96457  0.207474  
1 1 1 46 4  14 o 5.05891  0.0750169 25.6088      0.759008 25.9682      1.09191  25.2728      1.0558   5.0926   0.107206  5.02408  0.105074  
1 1 1 46 4  15 o 3.41308  0.0967613 11.6628      0.660508 12.9904      0.950029 10.4207      0.918945 3.60027  0.131939  3.224    0.142516  
1 1 1 46 4  16 o 4.03108  0.0845903 16.2659      0.68198  16.6653      0.95718  15.8541      0.97192  4.07836  0.117349  3.97755  0.122176  
1 1 1 46 4  17 f 1.14022  0.256928  1.36501      0.571873 0.471798     0.791737 2.33935      0.826909 0.846451 0.327715  1.49591  0.286612  
1 1 1 46 4  18 o 2.68392  0.115944  7.22034      0.622369 7.12275      0.891983 7.31293      0.8688   2.6623   0.167521  2.69811  0.161002  
1 1 1 46 4  19 o 3.07488  0.104725  9.47515      0.644033 9.52769      0.900824 9.42021      0.921116 3.08027  0.146225  3.06248  0.150387  
1 1 1 46 4  20 o 4.46869  0.0843513 19.9992      0.753879 20.4612      1.07339  19.5494      1.05904  4.51673  0.118824  4.41482  0.119942  
1 1 1 46 4  21 o 1.66193  0.184331  2.78455      0.612691 2.2905       0.853447 3.30996      0.88012  1.47206  0.300281  1.80652  0.243596  
1 1 1 46 4  22 o 2.33298  0.152475  5.47806      0.711443 5.6337       0.965189 5.29289      1.05277  2.35995  0.204493  2.28394  0.230473  
1 1 1 46 4  23 o 0.728588 0.293619  0.260476     0.658641 0.236062     0.877442 0.291988     0.996864 0.810543 0.334447  0.867162 0.35692   
1 1 1 46 4  24 o 1.61701  0.21486   2.65705      0.69486  3.83741      0.979478 1.46112      0.985916 1.93718  0.25281   1.18201  0.373393  
1 1 1 46 4  25 o 1.5765   0.242221  2.53807      0.763721 3.50645      1.06893  1.52825      1.09156  1.8445   0.289761  1.21313  0.393877  
1 1 1 46 4  26 o 3.46257  0.122704  12.0616      0.849744 12.5054      1.1654   11.5578      1.24167  3.51689  0.165685  3.37675  0.183855  
1 1 1 46 4  27 o 2.67874  0.156068  7.26273      0.83613  6.97222      1.11719  7.63266      1.2607   2.61108  0.213933  2.7269   0.231161  
1 1 1 46 4  28 o 0.63852  0.287785  -0.328649    0.775786 -0.941651    1.09662  0.2855       1.09764  0.685328 0.320861  0.884733 0.370112  
1 1 1 46 4  29 o 3.68017  0.1268    13.6764      0.933287 14.1369      1.33711  13.2389      1.30328  3.72324  0.179562  3.60253  0.180883  
1 1 1 46 4  30 o 0.81902  0.325337  0.45424      0.794579 0.758987     1.11891  0.144211     1.12856  0.984616 0.387655  0.858452 0.367798  
1 1 1 46 4  31 o 1.52066  0.285178  2.52148      0.835304 2.50178      1.15376  2.54318      1.2109   1.47253  0.386767  1.47985  0.399706  
1 1 1 46 4  32 o 2.84459  0.158073  8.2692       0.899308 9.64398      1.2908   6.97243      1.25364  3.04609  0.211878  2.57445  0.243478  
1 1 1 46 4  33 o 0.64303  0.293001  -0.375048    0.83654  -0.416165    1.17321  -0.332524    1.19314  0.762055 0.347169  0.780092 0.353954  
1 1 1 46 4  34 o 0.743261 0.31791   0.173059     0.840683 0.135398     1.1958   0.209865     1.18213  0.844223 0.370224  0.852889 0.371085  
1 1 1 46 4  35 o 2.0429   0.213208  4.46053      0.871126 3.97021      1.22417  4.96352      1.2399   1.81483  0.34975   2.09374  0.296097  
1 1 1 46 4  36 f 1.19633  0.356947  1.83714      0.918164 1.58819      1.27176  2.10817      1.32696  1.10098  0.41817   1.2244   0.432836  
1 1 1 46 4  37 o 0.571884 0.273761  -0.79311     0.885982 -2.47269     1.26541  0.821977     1.24088  0.558395 0.278523  0.904625 0.38656   
1 1 1 46 4  38 o 0.721251 0.331184  -0.00821058  1.09649  -0.0498199   1.56413  0.0319968    1.53755  0.802709 0.37721   0.807181 0.378272  
1 1 1 46 4  39 o 1.08472  0.419108  2.31119      1.29354  2.59984      1.92414  2.07316      1.7473   1.0271   0.458391  0.978725 0.436809  
1 1 1 46 4  40 o 1.1922   0.424826  2.93059      1.28058  3.38337      1.89938  2.55325      1.73393  1.07439  0.468909  0.994641 0.440229  
1 1 1 46 5  0  o 4.50029  0.105148  20.2915      0.945221 20.2915      0.945221 20.2915      0.945221 4.50245  0.0742687 ?        ?         
1 1 1 46 5  1  o 11.3273  0.0850036 128.357      1.92573  126.782      2.72665  129.924      2.72015  11.2555  0.121126  11.3942  0.119365  
1 1 1 46 5  2  o 4.16147  0.0748919 17.323       0.623321 17.711       0.876771 16.9264      0.886324 4.20725  0.104198  4.11291  0.107749  
1 1 1 46 5  3  o 11.2341  0.0919794 126.263      2.06661  125.227      2.70026  127.727      3.21088  11.1861  0.120697  11.2955  0.142131  
1 1 1 46 5  4  o 9.48454  0.0851352 89.9927      1.61494  87.7586      2.04315  93.7123      2.63632  9.36487  0.109086  9.67554  0.136236  
1 1 1 46 5  5  o 2.31111  0.116615  5.34539      0.53902  5.76344      0.746463 4.88991      0.779168 2.39905  0.155575  2.20934  0.176335  
1 1 1 46 5  6  o 7.95562  0.0741673 63.3128      1.18009  62.2747      1.64537  64.4124      1.69348  7.88885  0.104285  8.02305  0.105538  
1 1 1 46 5  7  o 13.5644  0.102716  184.115      2.78657  184.868      3.91966  183.345      3.96229  13.5876  0.144236  13.5313  0.146412  
1 1 1 46 5  8  o 4.71432  0.0734286 22.2328      0.692331 21.992       0.977327 22.4754      0.980891 4.68784  0.104241  4.73909  0.103489  
1 1 1 46 5  9  o 7.6306   0.072772  58.2484      1.11059  58.1427      1.55708  58.3579      1.5845   7.62222  0.102141  7.63622  0.103749  
1 1 1 46 5  10 o 8.73076  0.0786647 76.2636      1.37361  75.86        1.88882  76.7167      2.00119  8.70566  0.108482  8.75423  0.114299  
1 1 1 46 5  11 o 8.88388  0.0785064 78.9669      1.39488  82.1155      2.08178  76.4016      1.87908  9.0564   0.114934  8.73628  0.107545  
1 1 1 46 5  12 o 9.55607  0.087004  91.3896      1.66283  91.5142      2.41408  91.277       2.29373  9.55854  0.126279  9.54688  0.12013   
1 1 1 46 5  13 o 4.82716  0.0816282 23.3185      0.788064 24.6273      1.16111  22.2006      1.07307  4.95886  0.117074  4.7084   0.113953  
1 1 1 46 5  14 o 8.81178  0.0788943 77.7053      1.3904   77.6864      1.9648   77.7242      1.96784  8.80741  0.111543  8.80954  0.111688  
1 1 1 46 5  15 o 2.30949  0.132757  5.34644      0.6132   5.7279       0.911922 5.0316       0.828465 2.38743  0.190984  2.23795  0.185094  
1 1 1 46 5  16 o 3.1549   0.100445  9.96809      0.63379  9.37323      0.911448 10.525       0.881911 3.05655  0.149097  3.23979  0.136106  
1 1 1 46 5  17 o 3.14405  0.0992833 9.90095      0.624303 10.7548      0.876331 9.02104      0.889614 3.27462  0.133806  2.99808  0.148364  
1 1 1 46 5  18 o 5.41398  0.0771576 29.3432      0.835459 28.2634      1.15994  30.5072      1.20435  5.3105   0.109212  5.51729  0.109143  
1 1 1 46 5  19 o 5.63138  0.0795394 31.7531      0.895833 30.8254      1.25588  32.714       1.27821  5.5449   0.113246  5.71241  0.11188   
1 1 1 46 5  20 o 4.24497  0.0880918 18.0508      0.747894 17.0915      1.055    19.02        1.06038  4.12674  0.127825  4.35406  0.121769  
1 1 1 46 5  21 f 1.99977  0.160865  4.02549      0.643386 4.1615       0.904765 3.88636      0.915095 2.02719  0.223158  1.95785  0.233699  
1 1 1 46 5  22 o 4.54053  0.0947457 20.6699      0.860391 20.8232      1.21079  20.5135      1.22285  4.55171  0.133004  4.51733  0.135352  
1 1 1 46 5  23 o 2.60077  0.127555  6.79922      0.663483 6.51628      0.908817 7.12212      0.970867 2.53957  0.178931  2.65439  0.182879  
1 1 1 46 5  24 o 4.43861  0.1023    19.7756      0.908143 19.0685      1.29545  20.4589      1.27345  4.34929  0.148926  4.50686  0.141279  
1 1 1 46 5  25 o 1.65114  0.22989   2.78096      0.759162 1.90342      1.04928  3.7449       1.09973  1.32513  0.377551  1.90517  0.288617  
1 1 1 46 5  26 o 1.02008  0.32897   1.06889      0.762378 -0.163782    1.016    2.65733      1.15334  0.777086 0.341017  1.55582  0.374592  
1 1 1 46 5  27 o 2.20909  0.175827  4.9563       0.776833 5.00971      1.09832  4.90284      1.09889  2.20398  0.249167  2.17957  0.25209   
1 1 1 46 5  28 o 1.08236  0.339618  1.25367      0.817269 1.28706      1.20629  1.22534      1.11115  1.14226  0.411789  1.11091  0.395739  
1 1 1 46 5  29 o 1.67686  0.251431  2.92361      0.843231 3.78055      1.18652  2.04913      1.19859  1.85759  0.331281  1.34699  0.409035  
1 1 1 46 5  30 o 2.0422   0.200481  4.29468      0.818848 4.08666      1.14669  4.51113      1.1697   1.9607   0.292419  2.06373  0.283396  
1 1 1 46 5  31 o 1.3066   0.317512  1.90666      0.822747 2.39471      1.13698  1.37018      1.19206  1.44026  0.38655   1.14367  0.409645  
1 1 1 46 5  32 o 1.25694  0.33004   1.79395      0.840303 3.97369      1.21579  -0.199651    1.16272  1.88063  0.335291  0.800041 0.356713  
1 1 1 46 5  33 o 1.01703  0.345623  1.15143      0.840469 0.854055     1.17694  1.46089      1.20062  0.985678 0.394453  1.13384  0.410615  
1 1 1 46 5  34 o 1.3736   0.31315   2.19145      0.841478 1.93622      1.19107  2.44579      1.18899  1.24659  0.411443  1.39561  0.403291  
1 1 1 46 5  35 o 0.967276 0.34736   1.07137      0.857611 0.711561     1.18068  1.47324      1.24779  0.923507 0.384932  1.09729  0.414959  
1 1 1 46 5  36 o 1.25181  0.352285  2.01106      0.919041 3.69579      1.29284  0.289977     1.30671  1.6707   0.393042  0.854567 0.379697  
1 1 1 46 5  37 o 1.60878  0.326578  3.31179      1.01419  2.4797       1.43643  4.13892      1.43215  1.23219  0.448847  1.66765  0.427428  
1 1 1 46 5  38 o 0.673956 0.315817  -0.289801    1.07111  -0.95349     1.58936  0.262447     1.44979  0.722708 0.350583  0.815121 0.376865  
1 1 1 46 5  39 o 1.04183  0.416048  2.19461      1.30578  3.91812      1.93111  0.742772     1.77239  1.18555  0.493105  0.822757 0.392255  
1 1 1 46 5  40 o 0.541917 0.270959  -1.76112     1.25197  -1.97526     1.93989  -1.60825     1.63899  0.638885 0.322228  0.617137 0.308568  
1 1 1 46 6  0  o 7.86492  0.10323   61.9074      1.62317  61.9074      1.62317  61.9074      1.62317  7.86653  0.0729659 ?        ?         
1 1 1 46 6  1  o 5.20442  0.0717017 27.0938      0.746332 27.4276      1.02849  26.7225      1.0847   5.23573  0.0982185 5.16779  0.104948  
1 1 1 46 6  2  o 2.21297  0.123946  4.90149      0.548578 4.74149      0.741312 5.09518      0.815611 2.17571  0.170361  2.25516  0.180832  
1 1 1 46 6  3  o 15.7413  0.118509  247.989      3.73097  242.802      4.88529  255.247      5.77951  15.571   0.156871  15.9613  0.181047  
1 1 1 46 6  4  o 5.05102  0.0728689 25.5209      0.736125 26.5099      1.0141   24.4193      1.07024  5.14729  0.0985081 4.93986  0.108327  
1 1 1 46 6  5  o 9.53546  0.0824736 90.9631      1.57285  90.4725      2.09916  91.591       2.37497  9.50812  0.110388  9.56576  0.124139  
1 1 1 46 6  6  o 5.37269  0.0736072 28.8758      0.790937 28.0716      1.03793  29.9896      1.22146  5.29661  0.0979804 5.47406  0.111568  
1 1 1 46 6  7  o 4.11437  0.0766254 16.9348      0.630531 16.2696      0.874162 17.6562      0.910349 4.03194  0.108405  4.20023  0.108369  
1 1 1 46 6  8  o 4.05634  0.0759844 16.4608      0.616436 16.9978      0.878082 15.9389      0.865597 4.12112  0.106534  3.99063  0.108454  
1 1 1 46 6  9  o 9.70908  0.082002  94.316       1.59233  95.2847      2.25608  93.3545      2.24773  9.75621  0.115623  9.65682  0.11638   
1 1 1 46 6  10 o 10.3909  0.086528  108.041      1.7982   108.14       2.58483  107.948      2.50321  10.392   0.124367  10.3832  0.120542  
1 1 1 46 6  11 o 5.03188  0.0723532 25.333       0.728145 24.8892      1.00493  25.8236      1.05651  4.9864   0.100768  5.07897  0.104008  
1 1 1 46 6  12 o 8.47021  0.0797782 71.7936      1.35148  71.4696      1.96544  72.0842      1.86135  8.44784  0.116328  8.48477  0.109688  
1 1 1 46 6  13 o 8.16597  0.0835997 66.7367      1.36534  67.8416      1.98778  65.7498      1.87862  8.22966  0.120769  8.10233  0.115931  
1 1 1 46 6  14 o 9.95858  0.0829347 99.2609      1.65182  98.3801      2.36805  100.096      2.30528  9.90958  0.119483  9.99623  0.115307  
1 1 1 46 6  15 o 4.58627  0.0829933 21.0544      0.76126  21.1142      1.05512  20.9896      1.09941  4.59071  0.11492   4.57675  0.120108  
1 1 1 46 6  16 o 6.08946  0.0751793 37.1139      0.915602 35.0206      1.26784  39.3956      1.32367  5.91252  0.107217  6.27114  0.105537  
1 1 1 46 6  17 o 3.88403  0.089375  15.1067      0.69427  15.1779      0.945809 15.0235      1.02234  3.89085  0.121543  3.8701   0.132082  
1 1 1 46 6  18 o 3.3671   0.0960727 11.3577      0.646973 12.2516      0.912434 10.4537      0.917502 3.49447  0.130554  3.22691  0.142164  
1 1 1 46 6  19 o 3.09601  0.104691  9.60728      0.648246 9.5135       0.91594  9.70139      0.917579 3.07731  0.148821  3.10767  0.147631  
1 1 1 46 6  20 o 3.68742  0.0948093 13.6258      0.699203 13.082       0.97673  14.1973      1.00138  3.60917  0.135312  3.76011  0.133158  
1 1 1 46 6  21 o 2.76579  0.132929  7.68648      0.735306 8.13183      1.04672  7.25259      1.03317  2.83862  0.184371  2.67963  0.192782  
1 1 1 46 6  22 o 2.51411  0.140875  6.35845      0.708352 6.17232      1.00325  6.54347      1.00028  2.4692   0.203152  2.54333  0.196647  
1 1 1 46 6  23 o 1.72625  0.191726  3.01682      0.661934 4.319        0.933728 1.70124      0.938522 2.06028  0.226602  1.25922  0.356525  
1 1 1 46 6  24 o 1.86154  0.215574  3.52301      0.802596 2.80162      1.16174  4.18171      1.11011  1.60501  0.369346  2.0175   0.27512   
1 1 1 46 6  25 o 1.76417  0.204681  3.1639       0.722186 3.58488      0.971973 2.64506      1.07905  1.86851  0.260094  1.55942  0.353993  
1 1 1 46 6  26 o 1.29744  0.303262  1.81985      0.773586 0.25638      1.01728  3.96377      1.19124  0.858173 0.357477  1.94974  0.305485  
1 1 1 46 6  27 o 1.55773  0.243265  2.50134      0.757883 1.88159      1.06997  3.12539      1.07366  1.30647  0.384209  1.69616  0.328211  
1 1 1 46 6  28 o 2.6008   0.164522  6.87178      0.855776 7.98875      1.28054  5.97032      1.15039  2.78343  0.230029  2.40325  0.239342  
1 1 1 46 6  29 o 1.93709  0.210622  3.86124      0.815989 5.8687       1.12363  1.62121      1.18693  2.37932  0.236124  1.22155  0.410728  
1 1 1 46 6  30 o 1.27856  0.320209  1.82511      0.817805 1.98243      1.16198  1.6707       1.1512   1.3154   0.403405  1.22425  0.404498  
1 1 1 46 6  31 o 0.89494  0.334313  0.727769     0.804115 0.621203     1.13646  0.834609     1.13792  0.949344 0.384404  0.997725 0.391518  
1 1 1 46 6  32 o 1.32918  0.316924  2.00307      0.831816 1.57694      1.18002  2.42398      1.17275  1.18066  0.409054  1.42754  0.396728  
1 1 1 46 6  33 o 1.18295  0.341643  1.64459      0.853506 2.13484      1.21727  1.17049      1.19706  1.31271  0.414919  1.05711  0.404476  
1 1 1 46 6  34 o 1.88426  0.227958  3.799        0.859064 3.41926      1.2305   4.16007      1.19988  1.67163  0.377025  1.91647  0.313042  
1 1 1 46 6  35 o 1.40499  0.313904  2.36472      0.859617 2.72537      1.20527  1.99133      1.22637  1.43313  0.403468  1.21925  0.417496  
1 1 1 46 6  36 o 1.71144  0.263363  3.32483      0.901459 2.27752      1.24921  4.4628       1.30215  1.26772  0.421365  1.87542  0.360006  
1 1 1 46 6  37 o 1.15132  0.364495  1.8731       0.939105 2.51861      1.34525  1.2595       1.31158  1.24342  0.436182  0.969616 0.40503   
1 1 1 46 6  38 o 0.649539 0.311175  -0.62764     1.1503   -0.736041    1.62233  -0.518046    1.63124  0.736193 0.35638   0.755367 0.363967  
1 1 1 46 6  39 o 0.750537 0.348253  0.474089     1.25242  1.95488      1.88306  -0.700545    1.67714  0.924549 0.428238  0.697246 0.343443  
1 1 1 46 6  40 o 0.767165 0.3539    1.08443      1.26924  1.13635      1.93947  1.04554      1.6786   0.762407 0.373903  0.755324 0.365096  
1 1 1 46 7  0  o 17.6657  0.18331   312.493      6.47503  312.493      6.47503  312.493      6.47503  17.6716  0.129561  ?        ?         
1 1 1 46 7  1  o 5.177    0.0710729 26.8095      0.735889 26.7077      1.03205  26.9148      1.04958  5.16639  0.0998808 5.18635  0.101187  
1 1 1 46 7  2  o 14.349   0.10591   206.035      3.03941  203.399      4.15716  209.064      4.45504  14.2525  0.14584   14.4485  0.154169  
1 1 1 46 7  3  o 12.1644  0.0940178 148.053      2.28733  148.133      3.20338  147.969      3.26713  12.1644  0.13167   12.1574  0.134368  
1 1 1 46 7  4  o 7.10164  0.0720679 50.45        1.0236   50.6113      1.40819  50.2693      1.49049  7.11191  0.0990024 7.08756  0.105148  
1 1 1 46 7  5  o 3.74943  0.0791681 14.0641      0.59367  13.6963      0.824753 14.4595      0.855229 3.69931  0.111474  3.80095  0.112502  
1 1 1 46 7  6  o 6.93685  0.0715918 48.1371      0.993243 46.9916      1.44171  49.1719      1.37032  6.85238  0.105198  7.00992  0.0977418 
1 1 1 46 7  7  o 6.48353  0.0728108 42.0526      0.944142 42.4143      1.28123  41.6227      1.39667  6.51028  0.0984003 6.44875  0.10829   
1 1 1 46 7  8  o 4.23923  0.0742405 17.9789      0.629446 17.5588      0.875041 18.4295      0.906115 4.18849  0.104458  4.29104  0.105582  
1 1 1 46 7  9  o 0.841816 0.264827  0.70465      0.496517 1.20099      0.714353 0.240759     0.690611 1.08015  0.312749  0.743806 0.300285  
1 1 1 46 7  10 o 1.26624  0.201701  1.60976      0.510802 2.47985      0.711965 0.686801     0.733274 1.57083  0.226621  0.896774 0.321278  
1 1 1 46 7  11 f 2.8246   0.0997497 7.98679      0.563506 7.92706      0.7787   8.05246      0.816476 2.81265  0.138428  2.83458  0.144021  
1 1 1 46 7  12 o 6.99271  0.0761507 48.93        1.065    47.8571      1.49731  50.0286      1.51512  6.9133   0.108292  7.06849  0.107174  
1 1 1 46 7  13 o 6.8698   0.0759621 47.2279      1.04369  46.3533      1.50072  48.0472      1.45246  6.80319  0.110295  6.92688  0.104842  
1 1 1 46 7  14 o 3.04252  0.0991157 9.26945      0.603123 10.3084      0.876543 8.33534      0.831155 3.20654  0.136681  2.88297  0.144149  
1 1 1 46 7  15 o 9.24139  0.085014  85.495       1.5713   86.1459      2.28927  84.9153      2.1606   9.27089  0.123466  9.20545  0.117354  
1 1 1 46 7  16 o 7.37668  0.0776255 54.4694      1.14524  55.6018      1.62853  53.3615      1.61083  7.44927  0.109308  7.29751  0.110369  
1 1 1 46 7  17 o 2.73939  0.117559  7.52335      0.644082 7.82262      0.905831 7.21733      0.915994 2.79012  0.162328  2.67929  0.170939  
1 1 1 46 7  18 o 1.58978  0.18092   2.54414      0.575247 2.69972      0.812011 2.38738      0.815042 1.63296  0.248632  1.50988  0.280402  
1 1 1 46 7  19 o 1.81708  0.164026  3.32131      0.596095 2.96634      0.837434 3.68588      0.84869  1.71114  0.2447    1.90958  0.222219  
1 1 1 46 7  20 f 4.58444  0.0887346 21.0585      0.813597 20.3285      1.11638  21.8854      1.18818  4.50009  0.12404   4.66876  0.127248  
1 1 1 46 7  21 f 3.21029  0.116265  10.3456      0.746492 11.0602      1.04233  9.59316      1.06959  3.31414  0.157255  3.08422  0.173398  
1 1 1 46 7  22 o 0.758972 0.293675  0.392609     0.63561  0.467131     0.887227 0.314035     0.911021 0.870885 0.34446   0.840928 0.342835  
1 1 1 46 7  23 o 1.24062  0.285844  1.64414      0.695131 1.52407      1.00623  1.75375      0.961428 1.20349  0.376683  1.27611  0.360703  
1 1 1 46 7  24 o 4.715    0.102249  22.3162      0.964206 23.3458      1.36393  21.2876      1.36326  4.81398  0.141663  4.59526  0.148333  
1 1 1 46 7  25 o 1.93684  0.186868  3.80383      0.723866 5.29056      0.992576 2.1148       1.05795  2.27839  0.217824  1.39104  0.372665  
1 1 1 46 7  26 o 2.93172  0.140219  8.67914      0.822164 9.58241      1.13834  7.69411      1.18873  3.06955  0.185424  2.74214  0.216753  
1 1 1 46 7  27 o 0.921007 0.327343  0.803129     0.759871 -0.224511    1.07825  1.81703      1.07102  0.783576 0.34694   1.28312  0.38606   
1 1 1 46 7  28 o 2.54466  0.161372  6.57732      0.82127  6.38699      1.14282  6.78058      1.18102  2.48764  0.2297    2.56289  0.230408  
1 1 1 46 7  29 o 2.94585  0.146001  8.80501      0.860196 8.72496      1.1977   8.89028      1.23621  2.91184  0.205661  2.93735  0.21043   
1 1 1 46 7  30 o 1.04489  0.339886  1.17664      0.812803 1.50079      1.15743  0.861259     1.14168  1.17596  0.405343  1.00908  0.392941  
1 1 1 46 7  31 o 1.06834  0.338093  1.26472      0.808042 1.78862      1.13709  0.730263     1.14848  1.24644  0.401741  0.972654 0.389482  
1 1 1 46 7  32 o 0.876597 0.335402  0.687192     0.823102 0.127148     1.15115  1.27305      1.17738  0.843319 0.366543  1.09438  0.405381  
1 1 1 46 7  33 o 1.40699  0.313229  2.28555      0.858449 2.8607       1.23673  1.75078      1.19253  1.51941  0.401056  1.20212  0.411696  
1 1 1 46 7  34 o 1.74187  0.247673  3.30086      0.862828 3.66869      1.21775  2.93004      1.22271  1.73872  0.362124  1.51978  0.397683  
1 1 1 46 7  35 o 2.13334  0.21217   4.92181      0.90526  5.1324       1.23089  4.67372      1.33603  2.10842  0.291898  1.93461  0.358756  
1 1 1 46 7  36 o 1.74066  0.258781  3.45511      0.900899 1.76828      1.27889  5.11674      1.2693   1.1197   0.420948  2.06671  0.307082  
1 1 1 46 7  37 o 0.609767 0.290428  -0.616629    0.967977 0.761034     1.48498  -1.6345      1.27642  0.892168 0.40031   0.606465 0.298713  
1 1 1 46 7  38 o 0.839163 0.361741  0.929379     1.1038   -0.265033    1.52689  2.23687      1.59753  0.740285 0.355579  1.04754  0.442748  
1 1 1 46 7  39 o 0.633999 0.308421  -0.690735    1.24535  -1.3093      1.80044  -0.12331     1.72441  0.682521 0.339281  0.747627 0.363455  
1 1 1 46 8  0  o 11.4339  0.129025  130.853      2.94966  130.853      2.94966  130.853      2.94966  11.4365  0.0912004 ?        ?         
1 1 1 46 8  1  o 14.1836  0.104878  201.318      2.97511  200.654      4.19522  201.99       4.21977  14.1551  0.148188  14.202   0.148562  
1 1 1 46 8  2  o 4.33459  0.0767669 18.796       0.665507 18.6986      0.965715 18.8841      0.918404 4.32239  0.111711  4.34397  0.10571   
1 1 1 46 8  3  f 6.35223  0.0703329 40.3642      0.893541 39.0957      1.25095  41.6856      1.27676  6.25053  0.100068  6.45429  0.0989078 
1 1 1 46 8  4  o 8.14568  0.0753971 66.3782      1.22832  64.9185      1.75523  67.7792      1.71954  8.05386  0.108968  8.22967  0.104472  
1 1 1 46 8  5  o 7.66867  0.0723073 58.8306      1.109    56.9452      1.59292  60.604       1.54491  7.54314  0.105588  7.78206  0.0992608 
1 1 1 46 8  6  o 4.74522  0.0719458 22.526       0.682798 21.4149      0.966137 23.6347      0.965108 4.6257   0.104432  4.85972  0.0992968 
1 1 1 46 8  7  o 4.65512  0.0718769 21.6792      0.669191 19.8645      0.924132 23.6797      0.970313 4.45501  0.103718  4.86421  0.0997401 
1 1 1 46 8  8  f 3.91794  0.0769505 15.3582      0.602974 15.3339      0.847096 15.3832      0.858487 3.91383  0.108218  3.92006  0.109499  
1 1 1 46 8  9  f 2.78886  0.0978176 7.78502      0.545599 6.77982      0.75795  8.866        0.786001 2.60112  0.145697  2.97506  0.132099  
1 1 1 46 8  10 o 8.38572  0.0785142 70.3662      1.3168   69.484       1.90096  71.1799      1.82578  8.33001  0.114103  8.43163  0.10827   
1 1 1 46 8  11 o 8.21877  0.0782542 67.5943      1.28631  67.0694      1.83002  68.1068      1.8084   8.18387  0.111806  8.24715  0.109638  
1 1 1 46 8  12 o 0.536604 0.241204  -0.264139    0.541347 -0.127331    0.769278 -0.398348    0.761935 0.688619 0.299478  0.630799 0.284705  
1 1 1 46 8  13 o 4.49091  0.0804491 20.1858      0.722579 20.2883      1.02441  20.0843      1.01937  4.50034  0.113815  4.47766  0.113828  
1 1 1 46 8  14 o 4.61057  0.0807119 21.2774      0.744257 21.437       1.02782  21.1015      1.07913  4.62585  0.111095  4.58903  0.117578  
1 1 1 46 8  15 o 7.25153  0.0805612 52.6384      1.16838  52.8458      1.66598  52.4377      1.63904  7.2619   0.114707  7.234    0.113287  
1 1 1 46 8  16 o 5.88613  0.0765771 34.6823      0.901485 36.2453      1.29443  33.2103      1.25621  6.01423  0.107614  5.75676  0.109108  
1 1 1 46 8  17 o 2.46287  0.125317  6.08433      0.617279 6.97256      0.890066 5.26124      0.856812 2.63324  0.169006  2.28593  0.18741   
1 1 1 46 8  18 o 5.22836  0.0802069 27.3726      0.838701 27.5368      1.15553  27.1899      1.21924  5.24093  0.110241  5.20697  0.117078  
1 1 1 46 8  19 o 2.17363  0.141295  4.74666      0.614244 4.84749      0.845165 4.63379      0.894257 2.19223  0.192763  2.14178  0.208765  
1 1 1 46 8  20 o 2.29049  0.146104  5.27643      0.669299 4.67168      0.892474 6.05366      1.01178  2.1491   0.207639  2.44652  0.206778  
1 1 1 46 8  21 o 6.09213  0.0864567 37.1963      1.05341  34.958       1.42858  39.8636      1.55951  5.8998   0.12107   6.29956  0.123779  
1 1 1 46 8  22 o 1.68814  0.186625  2.8824       0.630098 2.9761       0.861976 2.77487      0.923376 1.70713  0.252464  1.61867  0.296255  
1 1 1 46 8  23 o 5.32414  0.0968826 28.4422      1.03163  27.7254      1.46237  29.1523      1.45556  5.24707  0.139351  5.38149  0.135237  
1 1 1 46 8  24 o 1.97805  0.181688  3.96251      0.718779 3.06875      0.953519 5.13878      1.09389  1.72653  0.276138  2.24124  0.244037  
1 1 1 46 8  25 o 3.34716  0.122474  11.2741      0.819881 11.804       1.15821  10.742       1.16077  3.41493  0.16958   3.25563  0.178271  
1 1 1 46 8  26 o 3.30858  0.12792   11.0373      0.84647  12.0982      1.17646  9.89863      1.21885  3.45302  0.170352  3.11623  0.195564  
1 1 1 46 8  27 o 2.66048  0.159859  7.18215      0.850604 7.24984      1.21249  7.11656      1.1936   2.65289  0.228522  2.6289   0.227016  
1 1 1 46 8  28 o 1.14179  0.323931  1.43011      0.774003 0.743219     1.07214  2.17774      1.11854  0.974288 0.3805    1.38775  0.388033  
1 1 1 46 8  29 o 1.52116  0.278587  2.50942      0.815979 3.06198      1.13768  1.92404      1.17098  1.64911  0.355098  1.30038  0.40622   
1 1 1 46 8  30 o 2.90957  0.150981  8.61363      0.878579 9.07882      1.24582  8.15337      1.23921  2.96324  0.210212  2.8033   0.221026  
1 1 1 46 8  31 o 0.799737 0.323576  0.399596     0.80438  1.02926      1.13015  -0.246872    1.14513  1.0382   0.394238  0.78697  0.352358  
1 1 1 46 8  32 o 1.27056  0.323928  1.86435      0.825802 2.12751      1.15484  1.58899      1.18133  1.32397  0.401392  1.16944  0.408886  
1 1 1 46 8  33 o 1.39712  0.313043  2.25892      0.852892 2.16184      1.20719  2.35568      1.20516  1.31338  0.412888  1.37089  0.408929  
1 1 1 46 8  34 o 1.83014  0.237869  3.63814      0.870668 4.92772      1.21631  2.28293      1.24688  2.08934  0.291076  1.31612  0.420336  
1 1 1 46 8  35 o 1.06873  0.353561  1.44225      0.879522 1.33861      1.20661  1.55974      1.28473  1.041    0.404249  1.09402  0.418901  
1 1 1 46 8  36 o 0.744096 0.324661  0.275787     0.909978 0.188374     1.28221  0.364493     1.29165  0.811264 0.367572  0.838378 0.374828  
1 1 1 46 8  37 o 0.69457  0.316636  -0.00417011  0.979465 1.91743      1.52485  -1.35389     1.27796  1.071    0.441231  0.626342 0.306239  
1 1 1 46 8  38 f 0.643993 0.309194  -0.468971    1.15141  -0.227049    1.60147  -0.727836    1.65661  0.740627 0.357754  0.71119  0.347944  
1 1 1 46 8  39 o 0.910625 0.378949  1.49644      1.1414   0.57506      1.57332  2.52017      1.65839  0.784799 0.372118  1.0139   0.440306  
1 1 1 46 9  0  o 4.60203  0.0979453 21.2146      0.900573 21.2146      0.900573 21.2146      0.900573 4.60398  0.069193  ?        ?         
1 1 1 46 9  1  o 10.8658  0.0848804 118.126      1.84459  117.626      2.57571  118.654      2.64289  10.8401  0.118805  10.8871  0.121377  
1 1 1 46 9  2  o 3.348    0.0901048 11.2156      0.603341 10.5453      0.846857 11.9065      0.859797 3.24535  0.130472  3.44865  0.124657  
1 1 1 46 9  3  o 7.48708  0.0735923 56.0786      1.10198  56.1348      1.5919   56.0269      1.52701  7.48919  0.10628   7.48224  0.102042  
1 1 1 46 9  4  o 8.93762  0.0789139 79.9187      1.41061  79.6117      2.05605  80.1916      1.9389   8.91802  0.115275  8.95097  0.108307  
1 1 1 46 9  5  o 7.30784  0.069614  53.4249      1.01746  51.8147      1.42899  55.0805      1.44903  7.19542  0.0992982 7.41881  0.0976589 
1 1 1 46 9  6  o 17.9781  0.127628  323.655      4.58901  320.112      6.23498  327.843      6.77876  17.8687  0.174466  18.0797  0.187469  
1 1 1 46 9  7  o 8.85257  0.0761369 78.4092      1.34802  75.258       1.85193  81.9604      1.96594  8.67066  0.106793  9.04836  0.108635  
1 1 1 46 9  8  f 5.58738  0.0685506 31.2334      0.766035 32.2002      1.09669  30.3122      1.07046  5.67191  0.0966773 5.50308  0.0972603 
1 1 1 46 9  9  o 7.16757  0.0707321 51.4013      1.01396  48.8532      1.3839   54.3545      1.48985  6.9859   0.0990495 7.36859  0.101095  
1 1 1 46 9  10 o 2.875    0.096288  8.27415      0.553656 8.33724      0.772571 8.20753      0.793839 2.88455  0.133915  2.86182  0.138695  
1 1 1 46 9  11 o 4.24553  0.0790935 18.0379      0.671587 17.9567      0.930583 18.1263      0.970189 4.23448  0.109882  4.25419  0.114027  
1 1 1 46 9  12 o 5.90043  0.0750176 34.8407      0.885272 35.5227      1.25244  34.1598      1.25149  5.95578  0.105145  5.84025  0.107144  
1 1 1 46 9  13 o 5.69516  0.0824125 32.466       0.938704 33.4525      1.29471  31.3728      1.36298  5.77865  0.112025  5.59524  0.121798  
1 1 1 46 9  14 o 5.11179  0.0787786 26.1552      0.8054   26.1499      1.15598  26.1601      1.12276  5.10866  0.11314   5.10994  0.10986   
1 1 1 46 9  15 o 5.45009  0.075714  29.7323      0.825297 30.1482      1.17565  29.3283      1.15882  5.48536  0.107163  5.41027  0.107095  
1 1 1 46 9  16 o 2.20937  0.131039  4.89701      0.579026 4.28773      0.829826 5.47513      0.808331 2.06288  0.201133  2.33335  0.173212  
1 1 1 46 9  17 o 3.85305  0.0916565 14.8713      0.706313 15.083       1.00209  14.6623      0.995694 3.87714  0.129231  3.82259  0.130238  
1 1 1 46 9  18 o 4.92047  0.0854988 24.2501      0.841389 23.7206      1.16349  24.8305      1.2182   4.86275  0.119633  4.97484  0.122436  
1 1 1 46 9  19 o 3.36199  0.102986  11.3329      0.692474 11.6725      0.935444 10.9212      1.02998  3.40853  0.137221  3.29472  0.156308  
1 1 1 46 9  20 o 1.95222  0.168362  3.84171      0.657358 3.89055      0.914674 3.78954      0.945375 1.95752  0.233631  1.93051  0.244851  
1 1 1 46 9  21 o 3.70543  0.098602  13.7715      0.730725 13.8806      1.01065  13.6521      1.05776  3.71499  0.136023  3.68308  0.143598  
1 1 1 46 9  22 o 0.947485 0.304912  0.909411     0.655203 0.982605     0.947072 0.842222     0.907395 1.02881  0.365468  0.978794 0.356722  
1 1 1 46 9  23 o 2.34116  0.155612  5.52844      0.728628 4.71866      1.01884  6.37616      1.04244  2.15057  0.236876  2.50561  0.208021  
1 1 1 46 9  24 o 1.25357  0.287373  1.68416      0.705469 1.64966      0.91519  1.73468      1.10744  1.23666  0.352685  1.27321  0.394509  
1 1 1 46 9  25 o 0.639782 0.282104  -0.160077    0.702994 0.563685     0.97361  -0.948419    1.01612  0.914114 0.361067  0.654308 0.306788  
1 1 1 46 9  26 o 3.90744  0.110428  15.3661      0.862979 16.7782      1.19866  13.8466      1.24344  4.07291  0.14715   3.69357  0.168326  
1 1 1 46 9  27 o 1.86161  0.216389  3.56115      0.805662 3.69648      1.14394  3.42796      1.13487  1.8718   0.305572  1.77054  0.332729  
1 1 1 46 9  28 o 2.82127  0.149602  8.07593      0.844137 8.27682      1.20045  7.87944      1.18724  2.83554  0.21168   2.76551  0.21465   
1 1 1 46 9  29 o 1.84331  0.223631  3.52511      0.82444  3.68429      1.16376  3.36473      1.16812  1.82365  0.331297  1.73236  0.349397  
1 1 1 46 9  30 o 2.56183  0.170337  6.71574      0.872748 6.97662      1.1833   6.40454      1.29241  2.58764  0.228644  2.46367  0.262295  
1 1 1 46 9  31 o 0.956292 0.339884  0.934825     0.819211 1.51263      1.14548  0.329912     1.17205  1.16316  0.403021  0.892359 0.378299  
1 1 1 46 9  32 o 2.03994  0.20819   4.371        0.849389 3.87958      1.16838  4.92183      1.23699  1.83776  0.329854  2.11584  0.292317  
1 1 1 46 9  33 o 0.796157 0.325905  0.429766     0.826629 0.683192     1.17902  0.184751     1.15929  0.93704  0.38724   0.83864  0.366174  
1 1 1 46 9  34 o 0.96379  0.346373  1.06528      0.852889 2.30881      1.17027  -0.343462    1.24558  1.32337  0.404636  0.766506 0.352391  
1 1 1 46 9  35 o 0.637468 0.292437  -0.298825    0.852703 -0.0192927   1.21501  -0.570132    1.197    0.788084 0.357402  0.711192 0.333373  
1 1 1 46 9  36 o 1.02012  0.361014  1.41885      0.923343 1.40137      1.31277  1.43595      1.29895  1.0073   0.411249  1.01388  0.410789  
1 1 1 46 9  37 o 0.767133 0.336437  0.438112     0.987619 1.27765      1.48823  -0.22257     1.32022  0.95572  0.416105  0.738037 0.346742  
1 1 1 46 9  38 o 0.850763 0.370828  1.11617      1.18471  2.70964      1.67607  -0.474871    1.67479  1.06323  0.451635  0.720559 0.351902  
1 1 1 46 9  39 o 0.764695 0.348191  0.772041     1.17678  1.80948      1.67366  -0.242326    1.65494  0.884857 0.407506  0.705479 0.345794  
1 1 1 46 10 0  o 10.218   0.120151  104.508      2.45463  104.508      2.45463  104.508      2.45463  10.2204  0.084926  ?        ?         
1 1 1 46 10 1  o 2.74829  0.100508  7.559        0.552452 7.21591      0.742651 7.98411      0.826654 2.68424  0.138335  2.82325  0.146401  
1 1 1 46 10 2  o 8.50328  0.0770889 72.3395      1.31102  70.9097      1.79155  73.9877      1.9236   8.41702  0.106424  8.59735  0.111872  
1 1 1 46 10 3  o 14.7353  0.106024  217.327      3.12459  216.03       4.50863  218.525      4.3342   14.6839  0.153523  14.7697  0.146726  
1 1 1 46 10 4  o 3.43361  0.0826425 11.7964      0.567524 10.4919      0.804855 13.0863      0.800363 3.23702  0.12432   3.61563  0.110681  
1 1 1 46 10 5  o 6.42491  0.0694296 41.2971      0.892158 41.2556      1.28465  41.3357      1.23994  6.42021  0.100047  6.42664  0.0964691 
1 1 1 46 10 6  o 6.7603   0.0705971 45.7231      0.954515 46.9435      1.39118  44.6377      1.31207  6.8482   0.101573  6.67811  0.0982365 
1 1 1 46 10 7  o 6.33851  0.0699234 40.1969      0.886421 39.5587      1.30739  40.7399      1.20593  6.28611  0.10399   6.37988  0.0945102 
1 1 1 46 10 8  o 3.6328   0.0789674 13.206       0.573746 13.2112      0.818689 13.201       0.804301 3.63228  0.112696  3.63096  0.110756  
1 1 1 46 10 9  o 5.72312  0.0700308 32.772       0.801589 35.4311      1.19088  30.5692      1.08389  5.94908  0.10009   5.52598  0.0980723 
1 1 1 46 10 10 o 3.75276  0.0815516 14.0943      0.612088 13.4394      0.853452 14.788       0.878329 3.66302  0.116496  3.84253  0.11429   
1 1 1 46 10 11 o 3.7735   0.0811003 14.2514      0.612064 13.8217      0.856901 14.699       0.874547 3.71456  0.115343  3.83069  0.11415   
1 1 1 46 10 12 o 1.39091  0.192061  1.9446       0.534277 1.35459      0.744729 2.57031      0.766924 1.1388   0.316036  1.59677  0.240148  
1 1 1 46 10 13 f 6.09611  0.0820473 37.1999      1.00034  35.6234      1.42507  38.7313      1.40454  5.96211  0.119511  6.21747  0.112951  
1 1 1 46 10 14 f 4.48043  0.081924  20.0963      0.734109 20.9014      1.02566  19.2506      1.05119  4.56705  0.112289  4.38235  0.119934  
1 1 1 46 10 15 o 5.85124  0.0780096 34.2747      0.912905 32.3297      1.22383  36.7147      1.37071  5.67994  0.107732  6.05222  0.11324   
1 1 1 46 10 16 o 3.15486  0.0989474 9.97246      0.62433  8.55773      0.86216  11.5323      0.905291 2.91907  0.147677  3.38995  0.133526  
1 1 1 46 10 17 o 3.30277  0.0994958 10.9311      0.657223 11.7089      0.92222  10.1284      0.93686  3.41531  0.135013  3.17528  0.147524  
1 1 1 46 10 18 o 4.7515   0.0844292 22.6146      0.802332 22.1826      1.12699  23.0586      1.14251  4.70192  0.119844  4.79395  0.119161  
1 1 1 46 10 19 o 2.56185  0.123906  6.5902       0.63486  5.71577      0.862683 7.62321      0.937649 2.38036  0.181208  2.75037  0.170459  
1 1 1 46 10 20 o 2.38387  0.135033  5.71344      0.643802 5.33834      0.884785 6.13551      0.938539 2.29802  0.192511  2.46391  0.190457  
1 1 1 46 10 21 o 1.58272  0.201776  2.53812      0.638709 3.50963      0.918642 1.62901      0.888646 1.85476  0.247645  1.23376  0.346154  
1 1 1 46 10 22 o 3.93201  0.10155   15.5181      0.798589 16.1584      1.10774  14.8253      1.15234  4.00588  0.138263  3.83471  0.150251  
1 1 1 46 10 23 o 3.50192  0.112667  12.3222      0.789103 11.8736      1.07031  12.8563      1.16801  3.43003  0.15602   3.5675   0.163701  
1 1 1 46 10 24 o 2.29608  0.164314  5.32935      0.754554 6.34123      0.987968 3.91288      1.16891  2.49834  0.197725  1.94257  0.300867  
1 1 1 46 10 25 o 1.02092  0.316098  1.10037      0.711152 1.73589      0.976976 0.384133     1.03716  1.25983  0.366063  0.890118 0.364826  
1 1 1 46 10 26 o 3.2202   0.133048  10.4728      0.85688  10.0181      1.19119  10.9605      1.23354  3.13334  0.190084  3.27807  0.18815   
1 1 1 46 10 27 o 2.03073  0.193257  4.21757      0.784904 3.73146      1.08609  4.74903      1.13561  1.88438  0.288182  2.13345  0.266145  
1 1 1 46 10 28 o 0.915851 0.336194  0.773468     0.807218 1.53731      1.17217  0.0844772    1.11326  1.19407  0.408167  0.843027 0.363346  
1 1 1 46 10 29 o 0.9203   0.333246  0.810205     0.790778 0.254083     1.07915  1.45513      1.16212  0.860592 0.363821  1.16369  0.405674  
1 1 1 46 10 30 o 2.89149  0.157394  8.54098      0.910206 9.96863      1.28549  7.10561      1.28896  3.10008  0.207332  2.59722  0.248143  
1 1 1 46 10 31 o 1.19536  0.345229  1.65052      0.871518 2.35163      1.21873  0.916775     1.24677  1.39592  0.409901  1.02312  0.407176  
1 1 1 46 10 32 o 1.93469  0.217699  3.95933      0.842359 3.83153      1.18908  4.08808      1.19348  1.815    0.34014   1.91205  0.312094  
1 1 1 46 10 33 o 1.00586  0.342308  1.16451      0.824424 0.545463     1.17189  1.77107      1.16002  0.902916 0.380295  1.19215  0.406045  
1 1 1 46 10 34 o 0.637015 0.292088  -0.326363    0.849526 -0.507788    1.15403  -0.111753    1.25515  0.713294 0.332249  0.793861 0.360969  
1 1 1 46 10 35 o 0.596694 0.279548  -0.517041    0.837454 -1.45196     1.18327  0.421247     1.18541  0.615414 0.299684  0.846402 0.369913  
1 1 1 46 10 36 o 0.818941 0.342586  0.678117     0.940433 0.795871     1.44684  0.591971     1.23751  0.900751 0.399963  0.845911 0.373473  
1 1 1 46 10 37 o 0.706963 0.322378  0.0970201    1.01689  1.28526      1.45299  -1.04373     1.42366  0.938729 0.409908  0.674281 0.328417  
1 1 1 46 10 38 o 0.626645 0.301722  -0.444563    1.11595  -1.83698     1.63306  0.77527      1.52851  0.625038 0.312418  0.803663 0.376719  
1 1 1 46 10 39 o 0.588905 0.288332  -0.552074    1.14315  -1.47797     1.59945  0.414765     1.63444  0.597107 0.30045   0.710422 0.34711   
1 1 1 46 11 0  o 18.012   0.178761  324.975      6.43828  324.975      6.43828  324.975      6.43828  18.0195  0.126337  ?        ?         
1 1 1 46 11 1  o 4.9566   0.0707506 24.5786      0.701366 24.3683      0.976498 24.8026      1.00801  4.93433  0.0989494 4.978    0.101247  
1 1 1 46 11 2  o 12.7297  0.096545  162.179      2.45798  163.736      3.49868  160.661      3.45397  12.7854  0.136824  12.6648  0.136361  
1 1 1 46 11 3  o 7.70137  0.0712083 59.3385      1.0968   58.8287      1.59901  59.7915      1.50728  7.6662   0.10429   7.72915  0.0975062 
1 1 1 46 11 4  o 6.89054  0.0702398 47.5018      0.967981 46.155       1.35645  48.8994      1.38177  6.79055  0.0998777 6.98958  0.0988449 
1 1 1 46 11 5  o 4.06294  0.074914  16.5168      0.608742 16.7932      0.888863 16.2727      0.835405 4.09555  0.108516  4.03178  0.103603  
1 1 1 46 11 6  o 6.91273  0.0698721 47.8103      0.966014 48.4628      1.39275  47.2054      1.34102  6.9579   0.100084  6.86722  0.097639  
1 1 1 46 11 7  o 7.59695  0.0715064 57.7455      1.08646  57.7068      1.59306  57.7792      1.48555  7.59199  0.104917  7.59735  0.0977675 
1 1 1 46 11 8  o 3.68617  0.0788084 13.5973      0.581002 14.0938      0.840578 13.1432      0.803967 3.75151  0.112032  3.62284  0.110958  
1 1 1 46 11 9  o 4.78677  0.0720125 22.9273      0.689414 21.5151      0.977412 24.3255      0.972565 4.63535  0.10543   4.92922  0.098653  
1 1 1 46 11 10 o 8.242    0.0771011 67.9827      1.27093  65.4398      1.83564  70.3241      1.7614   8.08276  0.113553  8.37997  0.105096  
1 1 1 46 11 11 o 4.89552  0.0710922 23.983       0.696067 23.4955      1.01103  24.4223      0.959749 4.84354  0.104369  4.93864  0.0971673 
1 1 1 46 11 12 o 2.81514  0.100507  7.93685      0.565883 7.73862      0.793599 8.1419       0.807131 2.77762  0.142856  2.84915  0.141644  
1 1 1 46 11 13 o 5.90829  0.0796531 34.9433      0.941227 32.1827      1.30208  37.9645      1.36214  5.66694  0.114884  6.15545  0.110645  
1 1 1 46 11 14 o 1.63882  0.171943  2.69974      0.563568 2.60119      0.792323 2.80065      0.801771 1.60417  0.246957  1.66498  0.240775  
1 1 1 46 11 15 o 5.9542   0.0842765 35.5011      1.0036   34.7002      1.40384  36.3383      1.43529  5.88262  0.119321  6.01989  0.119212  
1 1 1 46 11 16 o 1.19124  0.250106  1.49074      0.576902 1.26005      0.812446 1.72535      0.819322 1.10602  0.336941  1.27543  0.321161  
1 1 1 46 11 17 o 5.50831  0.0806048 30.3858      0.887993 30.3908      1.22722  30.3803      1.28649  5.50514  0.111462  5.50343  0.116881  
1 1 1 46 11 18 f 2.92392  0.114393  8.57757      0.668948 7.44016      0.931418 9.7893       0.961363 2.71763  0.171366  3.11947  0.154091  
1 1 1 46 11 19 o 1.80202  0.181438  3.27762      0.653911 2.53563      0.890139 4.14747      0.963786 1.54884  0.29799   2.02042  0.238511  
1 1 1 46 11 20 o 0.681287 0.279627  0.17076      0.610156 -0.360763    0.843305 0.754697     0.883908 0.671418 0.301454  0.949562 0.351342  
1 1 1 46 11 21 o 0.878459 0.30358   0.729335     0.649588 1.04776      0.933372 0.430228     0.904614 1.04561  0.363654  0.865669 0.346073  
1 1 1 46 11 22 o 1.27796  0.273604  1.7385       0.679039 1.66423      0.965352 1.81125      0.955337 1.24659  0.364415  1.29525  0.357357  
1 1 1 46 11 23 o 1.7682   0.205342  3.17873      0.72617  4.19789      0.96598  1.85435      1.10117  2.02617  0.238375  1.31033  0.390893  
1 1 1 46 11 24 o 0.8331   0.310387  0.575037     0.692226 1.06017      0.940853 0.00249828   1.0221   1.04399  0.364915  0.808412 0.348285  
1 1 1 46 11 25 o 2.4588   0.151318  6.11628      0.744124 5.55985      1.01115  6.77364      1.09903  2.33009  0.216977  2.57283  0.213585  
1 1 1 46 11 26 o 2.05871  0.19741   4.33405      0.812818 4.08266      1.1257   4.60787      1.17487  1.97446  0.285066  2.09935  0.279818  
1 1 1 46 11 27 o 2.50726  0.156815  6.38409      0.786351 6.89148      1.07818  5.80749      1.14937  2.58958  0.208176  2.36572  0.242921  
1 1 1 46 11 28 o 2.22429  0.186597  5.07437      0.830093 6.01964      1.16952  4.1147       1.17839  2.40182  0.243465  1.96468  0.299893  
1 1 1 46 11 29 o 0.86875  0.331366  0.635104     0.801367 0.904803     1.11203  0.343732     1.15585  1.01234  0.38912   0.900734 0.378449  
1 1 1 46 11 30 o 1.51089  0.291252  2.51867      0.84869  2.46699      1.23269  2.56524      1.17021  1.44198  0.408702  1.47799  0.390118  
1 1 1 46 11 31 o 0.987345 0.348076  1.04578      0.857607 2.03783      1.19528  -0.00678783  1.2312   1.29631  0.411298  0.840748 0.371685  
1 1 1 46 11 32 o 1.1261   0.339614  1.4901       0.828167 1.74035      1.16165  1.23144      1.18099  1.19687  0.406331  1.06481  0.403399  
1 1 1 46 11 33 o 2.32507  0.191721  5.70288      0.89153  4.93908      1.21548  6.5923       1.31163  2.09525  0.290056  2.43988  0.268789  
1 1 1 46 11 34 o 1.24759  0.339494  1.95404      0.869544 2.15105      1.19623  1.7333       1.26619  1.25281  0.412334  1.13752  0.420585  
1 1 1 46 11 35 o 0.843997 0.340269  0.729302     0.885068 -0.417824    1.26998  1.81259      1.23414  0.736216 0.344795  1.12539  0.415403  
1 1 1 46 11 36 o 0.673301 0.307698  -0.0731107   0.934022 -0.513985    1.3923   0.287662     1.25948  0.728789 0.347504  0.797119 0.362221  
1 1 1 46 11 37 o 0.606535 0.292448  -0.658442    1.05746  1.08454      1.53517  -2.23213     1.45871  0.877157 0.398941  0.588671 0.294335  
1 1 1 46 11 38 o 0.713023 0.3273    0.312302     1.06997  0.366368     1.52146  0.259399     1.50502  0.769832 0.365453  0.758086 0.361432  
1 1 1 46 12 0  f 10.607   0.137845  112.671      2.92313  112.671      2.92313  112.671      2.92313  10.6108  0.0974173 ?        ?         
1 1 1 46 12 1  o 9.95091  0.081371  99.0853      1.61943  97.3975      2.25794  100.873      2.32393  9.86268  0.114469  10.037   0.115768  
1 1 1 46 12 2  o 11.6932  0.0914323 136.846      2.13827  134.436      2.94845  139.52       3.10562  11.5853  0.12725   11.8016  0.131575  
1 1 1 46 12 3  o 4.12759  0.0717977 17.046       0.592702 15.7666      0.812253 18.5032      0.86682  3.96859  0.102335  4.2993   0.100809  
1 1 1 46 12 4  o 4.43689  0.0718351 19.6967      0.637449 20.3201      0.906656 19.0872      0.89641  4.5054   0.100619  4.3665   0.102646  
1 1 1 46 12 5  o 2.99204  0.0877393 8.95973      0.525039 10.0937      0.764447 7.94718      0.722374 3.17459  0.120401  2.8166   0.128235  
1 1 1 46 12 6  o 8.00589  0.075128  64.1342      1.20293  62.5926      1.72151  65.6052      1.6816   7.90637  0.108869  8.09488  0.103868  
1 1 1 46 12 7  o 6.01135  0.0711683 36.1572      0.855635 35.6439      1.22128  36.6521      1.19913  5.96666  0.102342  6.05069  0.0990902 
1 1 1 46 12 8  f 11.2317  0.0928858 126.284      2.08654  125.206      2.98812  127.31       2.91486  11.1774  0.133668  11.2717  0.1293    
1 1 1 46 12 9  o 5.08583  0.0722868 25.8833      0.735277 26.093       1.0738   25.6982      1.00891  5.10445  0.105183  5.06606  0.0995753 
1 1 1 46 12 10 f 4.57193  0.0748762 20.9188      0.684657 21.1267      0.996388 20.7329      0.942371 4.59262  0.108477  4.54994  0.103559  
1 1 1 46 12 11 o 7.29066  0.0725951 53.1949      1.05853  52.3437      1.51958  53.9974      1.47538  7.22898  0.105103  7.3428   0.100464  
1 1 1 46 12 12 o 2.62037  0.1072    6.87881      0.561809 6.60372      0.811936 7.1315       0.778175 2.56465  0.158294  2.66596  0.145946  
1 1 1 46 12 13 o 8.56245  0.0827499 73.4023      1.41708  70.5347      2.01405  76.2138      1.99421  8.38797  0.120056  8.72013  0.114346  
1 1 1 46 12 14 o 3.98317  0.0855081 15.8875      0.681187 14.6799      0.971869 17.0536      0.955039 3.82563  0.127021  4.12439  0.115779  
1 1 1 46 12 15 o 2.50996  0.123999  6.31953      0.622466 5.98143      0.851464 6.70766      0.912279 2.43821  0.174608  2.5818   0.176675  
1 1 1 46 12 16 o 1.92387  0.153458  3.72014      0.590464 3.67103      0.817937 3.77357      0.853269 1.90658  0.214503  1.93246  0.220772  
1 1 1 46 12 17 o 4.82829  0.086616  23.3545      0.836414 24.2348      1.11726  22.232       1.26158  4.91526  0.113652  4.70493  0.13407   
1 1 1 46 12 18 o 2.74237  0.119567  7.55004      0.655793 6.76405      0.893201 8.46922      0.965926 2.59034  0.17241   2.89929  0.16658   
1 1 1 46 12 19 o 3.43898  0.106261  11.8663      0.73086  10.9889      1.04315  12.7123      1.0243   3.30281  0.157918  3.55454  0.144083  
1 1 1 46 12 20 o 1.46907  0.210359  2.18926      0.618065 1.45774      0.853246 2.99684      0.89651  1.17235  0.342568  1.71186  0.261852  
1 1 1 46 12 21 o 0.958205 0.299887  0.945176     0.637783 1.21845      0.872291 0.631275     0.934881 1.08947  0.351939  0.925914 0.356599  
1 1 1 46 12 22 o 2.92609  0.124118  8.61132      0.72636  9.3816       1.02185  7.82461      1.03269  3.04687  0.167689  2.77927  0.185784  
1 1 1 46 12 23 o 0.969762 0.315818  0.954124     0.701765 0.704676     0.924363 1.29351      1.07819  0.940788 0.356749  1.13919  0.391362  
1 1 1 46 12 24 o 0.839649 0.309492  0.607926     0.68469  0.900488     0.941732 0.279854     0.997246 0.994803 0.363326  0.854418 0.354801  
1 1 1 46 12 25 o 1.85892  0.196095  3.52803      0.729048 3.32662      0.989808 3.76687      1.07787  1.78677  0.276982  1.89944  0.283733  
1 1 1 46 12 26 o 2.00616  0.191011  4.11238      0.766398 4.75765      1.06062  3.40729      1.10868  2.14226  0.247546  1.76704  0.325949  
1 1 1 46 12 27 o 1.05345  0.324264  1.20059      0.749848 0.3191       1.01846  2.24408      1.1081   0.860478 0.358013  1.40578  0.383557  
1 1 1 46 12 28 o 2.63501  0.158049  7.07363      0.832921 8.6126       1.15272  5.39225      1.20487  2.89192  0.199299  2.2627   0.266247  
1 1 1 46 12 29 o 2.62221  0.163117  7.02441      0.855452 8.4134       1.22006  5.68119      1.19978  2.8481   0.214188  2.32151  0.258405  
1 1 1 46 12 30 o 0.670562 0.297919  -0.16855     0.804261 -0.412437    1.12937  0.0823963    1.1456   0.75448  0.342887  0.839363 0.365254  
1 1 1 46 12 31 o 1.84317  0.235668  3.61597      0.868753 5.4916       1.21952  1.68342      1.23789  2.24946  0.27107   1.19073  0.418347  
1 1 1 46 12 32 o 0.868138 0.337675  0.688877     0.842628 -1.5538      1.19785  2.88572      1.18555  0.631611 0.305835  1.5279   0.387286  
1 1 1 46 12 33 o 1.09292  0.349696  1.46032      0.86271  2.01606      1.16391  0.782711     1.2852   1.24182  0.406725  0.954837 0.400024  
1 1 1 46 12 34 o 0.999594 0.346176  1.23195      0.845046 -0.00619921  1.17768  2.54607      1.21327  0.781975 0.353392  1.35845  0.411335  
1 1 1 46 12 35 o 1.77446  0.274034  3.7094       0.972522 3.93324      1.44644  3.52473      1.31382  1.61506  0.437136  1.55514  0.414687  
1 1 1 46 12 36 o 0.895696 0.35266   1.04624      0.926042 0.800617     1.36448  1.25597      1.26089  0.880765 0.390087  0.9516   0.39729   
1 1 1 46 12 37 f 0.890758 0.375465  1.28699      1.14377  2.29048      1.64627  0.35062      1.59026  1.01853  0.44045   0.786392 0.373461  
1 1 1 46 12 38 o 0.537102 0.266581  -1.40545     1.09012  -2.84563     1.61458  -0.198931    1.47782  0.572445 0.289399  0.70369  0.340557  
1 1 1 46 13 0  o 9.59243  0.114064  92.1176      2.18761  92.1176      2.18761  92.1176      2.18761  9.59512  0.08062   ?        ?         
1 1 1 46 13 1  o 6.63456  0.0723523 44.042       0.960051 43.1764      1.32052  45.0124      1.39824  6.56735  0.100537  6.70525  0.104265  
1 1 1 46 13 2  o 6.58106  0.0707344 43.3337      0.931015 42.5792      1.29421  44.1429      1.34031  6.52183  0.0992211 6.64039  0.100921  
1 1 1 46 13 3  o 3.84817  0.0788695 14.8185      0.607007 15.3608      0.818404 14.1553      0.904987 3.91696  0.104469  3.75939  0.120363  
1 1 1 46 13 4  o 15.9579  0.115309  255.031      3.68019  249.943      5.17938  260.218      5.23015  15.786   0.16405   16.1077  0.162349  
1 1 1 46 13 5  o 9.71054  0.0812872 94.3655      1.57868  92.3087      2.20383  96.5333      2.26252  9.60052  0.114776  9.81769  0.115227  
1 1 1 46 13 6  o 4.96156  0.0731021 24.6327      0.725401 24.6833      1.04756  24.586       1.00548  4.96494  0.105496  4.9554   0.101453  
1 1 1 46 13 7  o 6.66949  0.0735701 44.5122      0.981351 44.6991      1.34733  44.301       1.43224  6.68149  0.100825  6.65108  0.10767   
1 1 1 46 13 8  o 3.38985  0.0833546 11.5017      0.56512  11.3764      0.809685 11.6208      0.789113 3.36965  0.120144  3.40589  0.115845  
1 1 1 46 13 9  o 6.39031  0.0729757 40.8665      0.932674 40.8592      1.37444  40.8727      1.26977  6.38693  0.107598  6.38874  0.0993754 
1 1 1 46 13 10 o 2.72343  0.0982769 7.42762      0.5353   6.99111      0.776981 7.822        0.738539 2.63983  0.147165  2.79316  0.132205  
1 1 1 46 13 11 o 9.95609  0.086728  99.241       1.72694  100.22       2.50016  98.3473      2.38821  9.9986   0.125026  9.90559  0.120549  
1 1 1 46 13 12 o 5.935    0.0763587 35.2594      0.906378 35.155       1.31471  35.354       1.25126  5.92289  0.110986  5.94025  0.105321  
1 1 1 46 13 13 o 6.30256  0.0796873 39.7689      1.00447  39.7052      1.52911  39.8173      1.33222  6.29259  0.121501  6.30357  0.105672  
1 1 1 46 13 14 o 2.68144  0.107519  7.2067       0.576613 7.54602      0.826451 6.88486      0.804883 2.74081  0.150768  2.61775  0.153736  
1 1 1 46 13 15 o 3.88652  0.0887731 15.1302      0.690037 16.6578      0.985676 13.6619      0.966331 4.07516  0.120937  3.68958  0.130954  
1 1 1 46 13 16 o 3.44329  0.0953652 11.8813      0.65674  12.3828      0.910747 11.3379      0.947908 3.5121   0.129659  3.35946  0.141081  
1 1 1 46 13 17 o 3.97167  0.0928299 15.8096      0.73738  16.2027      1.00655  15.3543      1.0833   4.01709  0.125283  3.90874  0.138574  
1 1 1 46 13 18 o 1.31997  0.242821  1.82579      0.617034 1.68194      0.8806   1.96453      0.864848 1.25517  0.341686  1.35519  0.323174  
1 1 1 46 13 19 o 0.867354 0.29901   0.708891     0.629845 1.11992      0.918563 0.344155     0.865292 1.06778  0.361323  0.831737 0.335982  
1 1 1 46 13 20 o 2.18344  0.148481  4.80409      0.648398 5.4138       0.879904 4.07958      0.959159 2.31208  0.190284  1.99967  0.23983   
1 1 1 46 13 21 o 1.76353  0.185866  3.14845      0.65556  2.76517      0.873805 3.64195      0.991513 1.64201  0.266077  1.88498  0.263004  
1 1 1 46 13 22 o 1.49369  0.241133  2.28242      0.720356 0.741983     0.95608  4.30519      1.09558  0.96019  0.363196  2.04608  0.267728  
1 1 1 46 13 23 o 3.26031  0.116641  10.693       0.760571 11.02        1.03864  10.3149      1.11683  3.3017   0.157289  3.19024  0.175039  
1 1 1 46 13 24 o 2.37958  0.151171  5.72806      0.719446 5.91472      0.982423 5.51218      1.05651  2.40673  0.2041    2.31746  0.227946  
1 1 1 46 13 25 o 2.70018  0.146823  7.3812       0.792896 7.79219      1.08519  6.91052      1.16133  2.76089  0.196529  2.59157  0.224059  
1 1 1 46 13 26 o 1.74219  0.218685  3.12517      0.761982 2.83224      1.06336  3.43434      1.09244  1.59842  0.342537  1.77457  0.319447  
1 1 1 46 13 27 o 2.30721  0.173127  5.43627      0.798883 6.94119      1.1005   3.75973      1.16155  2.59366  0.212152  1.87648  0.309504  
1 1 1 46 13 28 o 2.63025  0.155846  7.04611      0.819826 6.18066      1.10857  8.0908       1.21796  2.43854  0.227301  2.7943   0.217936  
1 1 1 46 13 29 o 2.29528  0.185822  5.42743      0.853028 3.84698      1.18709  7.11485      1.22661  1.85284  0.3324    2.60517  0.235418  
1 1 1 46 13 30 o 0.797708 0.32554   0.392259     0.822249 0.262972     1.16088  0.522421     1.1648   0.870946 0.373085  0.922333 0.383254  
1 1 1 46 13 31 o 1.51628  0.283439  2.58351      0.827662 2.64126      1.13514  2.51796      1.20937  1.47251  0.382188  1.42288  0.405308  
1 1 1 46 13 32 o 1.97171  0.221656  4.15202      0.874082 4.64122      1.24813  3.68118      1.22448  2.0251   0.308166  1.74521  0.362858  
1 1 1 46 13 33 o 1.11923  0.351908  1.5656       0.876893 2.72557      1.20588  0.263892     1.27744  1.43031  0.403861  0.85577  0.378428  
1 1 1 46 13 34 o 0.909753 0.342447  0.947134     0.846894 2.67133      1.18711  -0.839944    1.20856  1.39432  0.402989  0.682508 0.32481   
1 1 1 46 13 35 o 1.71439  0.27434   3.50454      0.940648 2.8894       1.41769  3.98834      1.25727  1.32272  0.448882  1.69336  0.380533  
1 1 1 46 13 36 o 0.906817 0.355351  1.11515      0.936731 1.3695       1.33738  0.870197     1.31245  0.963856 0.406126  0.878804 0.386609  
1 1 1 46 13 37 o 1.16931  0.397195  2.48129      1.11001  2.24589      1.61512  2.69201      1.52807  0.993062 0.432916  1.08246  0.443104  
1 1 1 46 13 38 o 0.700184 0.325834  0.409653     1.10657  1.17972      1.63977  -0.234282    1.49947  0.804229 0.380653  0.678732 0.331823  
1 1 1 46 14 0  o 5.788    0.104617  33.5545      1.21016  33.5545      1.21016  33.5545      1.21016  5.79031  0.0739188 ?        ?         
1 1 1 46 14 1  o 3.42561  0.0854086 11.7445      0.585153 12.2718      0.814927 11.1832      0.840741 3.50042  0.116404  3.34113  0.125817  
1 1 1 46 14 2  o 7.08451  0.0689005 50.2175      0.976252 48.7357      1.35732  51.8057      1.40519  6.97731  0.0972665 7.19368  0.097668  
1 1 1 46 14 3  f 5.94353  0.0672581 35.3441      0.799501 35.0743      1.15067  35.596       1.11167  5.91909  0.0971999 5.96321  0.0932106 
1 1 1 46 14 4  o 8.80722  0.0761205 77.621       1.34082  76.9525      1.92638  78.2491      1.86741  8.76591  0.109879  8.83994  0.105623  
1 1 1 46 14 5  o 6.3641   0.0724563 40.5281      0.922238 40.0818      1.30501  40.9734      1.30347  6.32683  0.103133  6.39692  0.101883  
1 1 1 46 14 6  o 5.43609  0.0700976 29.5699      0.762113 28.1916      1.02677  31.2609      1.13727  5.30635  0.0967489 5.58738  0.101771  
1 1 1 46 14 7  o 4.39794  0.0701103 19.3549      0.616681 19.0091      0.84202  19.7548      0.905695 4.35716  0.0966248 4.44148  0.101959  
1 1 1 46 14 8  o 2.22131  0.110832  4.94285      0.492383 5.22914      0.696407 4.65667      0.696262 2.28294  0.152524  2.15392  0.161627  
1 1 1 46 14 9  o 3.17017  0.0832419 10.0603      0.527781 9.96245      0.76284  10.1501      0.730971 3.15287  0.120975  3.18278  0.114832  
1 1 1 46 14 10 o 6.37348  0.0801003 40.6624      1.02104  42.5125      1.41793  38.6699      1.47149  6.51401  0.108837  6.21156  0.118447  
1 1 1 46 14 11 o 3.8371   0.0813098 14.7399      0.623987 15.0112      0.910183 14.4994      0.857109 3.86983  0.1176    3.80366  0.112669  
1 1 1 46 14 12 o 2.10381  0.123115  4.43833      0.518018 4.77482      0.75732  4.14247      0.710132 2.17908  0.17377   2.02959  0.174945  
1 1 1 46 14 13 o 4.0388   0.0837543 16.3346      0.676534 16.7522      0.990868 15.9698      0.925955 4.08702  0.121221  3.99093  0.116007  
1 1 1 46 14 14 o 0.594664 0.254267  -0.0141186   0.537466 -0.385289    0.819606 0.265913     0.711905 0.659068 0.296491  0.755824 0.304985  
1 1 1 46 14 15 f 5.60174  0.0804071 31.4253      0.90084  31.8898      1.27166  30.9575      1.27632  5.63905  0.112755  5.55571  0.114865  
1 1 1 46 14 16 o 4.34088  0.0871208 18.8791      0.756361 19.6008      1.04674  18.0905      1.09415  4.41954  0.118421  4.24449  0.128891  
1 1 1 46 14 17 o 5.52126  0.0889644 30.5518      0.982391 31.1892      1.32271  29.7676      1.46711  5.57385  0.118653  5.44227  0.134788  
1 1 1 46 14 18 o 3.42782  0.101973  11.7869      0.69909  11.4041      0.99702  12.1571      0.980513 3.36588  0.148107  3.47629  0.141028  
1 1 1 46 14 19 o 2.95588  0.112136  8.77362      0.662924 8.10127      0.932335 9.46113      0.942784 2.83344  0.164523  3.06376  0.153861  
1 1 1 46 14 20 o 3.13303  0.114603  9.86229      0.718108 9.8588       1.04309  9.86544      0.990092 3.12413  0.166941  3.12676  0.158326  
1 1 1 46 14 21 o 2.0574   0.162426  4.27479      0.668349 3.75732      0.855411 5.08573      1.07084  1.92049  0.222706  2.23104  0.239987  
1 1 1 46 14 22 o 3.29102  0.12145   10.8949      0.799385 10.9087      1.04311  10.8753      1.24433  3.28611  0.158715  3.2739   0.190038  
1 1 1 46 14 23 f 1.93901  0.178913  3.8196       0.69383  4.32816      0.956014 3.25362      1.00854  2.05315  0.232816  1.76866  0.285113  
1 1 1 46 14 24 o 1.09276  0.303187  1.29252      0.685484 1.43152      0.936816 1.13234      1.00569  1.1543   0.363892  1.07035  0.376972  
1 1 1 46 14 25 o 2.4105   0.162092  5.90067      0.781448 6.04835      1.06858  5.73089      1.14572  2.4248   0.220343  2.35308  0.243451  
1 1 1 46 14 26 o 1.65196  0.223973  2.81803      0.739988 1.63763      1.01479  4.15844      1.08138  1.21618  0.377808  1.99177  0.271463  
1 1 1 46 14 27 o 3.00053  0.138442  9.13205      0.830801 9.0905       1.14455  9.17834      1.20786  2.97433  0.192405  2.98442  0.202361  
1 1 1 46 14 28 o 0.854238 0.325178  0.614577     0.77044  -0.743529    1.04917  2.20402      1.13502  0.684625 0.318083  1.38115  0.392406  
1 1 1 46 14 29 o 2.64057  0.164946  7.14022      0.871104 8.45497      1.20729  5.71239      1.25814  2.8517   0.211678  2.31557  0.271669  
1 1 1 46 14 30 o 1.68293  0.244032  3.01862      0.821375 2.48219      1.13754  3.60295      1.18725  1.43351  0.387508  1.76165  0.349392  
1 1 1 46 14 31 o 2.47939  0.177486  6.38999      0.880114 6.69692      1.23422  6.07244      1.25538  2.49374  0.247464  2.36173  0.265776  
1 1 1 46 14 32 o 0.985611 0.349529  1.11299      0.865934 0.556523     1.18468  1.75137      1.26888  0.901256 0.381113  1.17624  0.422506  
1 1 1 46 14 33 o 0.472316 0.233401  -1.55909     0.810946 -1.99128     1.12936  -1.09905     1.16518  0.558559 0.275879  0.647212 0.310812  
1 1 1 46 14 34 o 0.516337 0.253261  -1.3742      0.890366 -1.33151     1.27153  -1.41525     1.24716  0.646619 0.313643  0.632864 0.30809   
1 1 1 46 14 35 f 1.2593   0.349287  2.19458      0.909926 0.751878     1.31929  3.50356      1.25665  0.874785 0.385997  1.53429  0.403946  
1 1 1 46 14 36 o 0.556797 0.271072  -0.954291    0.965879 -0.527345    1.34044  -1.41537     1.39299  0.689691 0.331736  0.629944 0.310251  
1 1 1 46 14 37 o 0.714933 0.327065  0.351903     1.05838  0.119449     1.52574  0.56751      1.46941  0.744823 0.357197  0.782383 0.367214  
1 1 1 46 14 38 o 0.841238 0.369537  1.5579       1.19549  1.12969      1.63101  2.05508      1.75743  0.762929 0.36671   0.838187 0.395614  
1 1 1 46 15 0  o 6.99409  0.103239  48.9813      1.44341  48.9813      1.44341  48.9813      1.44341  6.99638  0.072959  ?        ?         
1 1 1 46 15 1  o 2.82695  0.0981176 8.00114      0.554747 7.48551      0.780799 8.52675      0.788315 2.73251  0.142872  2.91676  0.135135  
1 1 1 46 15 2  o 4.55539  0.0716011 20.7649      0.652342 19.7393      0.900727 21.8964      0.946043 4.44003  0.101433  4.67635  0.101152  
1 1 1 46 15 3  o 8.59568  0.075875  73.94        1.30439  73.041       1.90014  74.7412      1.79383  8.53964  0.111254  8.63934  0.103817  
1 1 1 46 15 4  o 1.0416   0.225203  1.13468      0.455852 0.544197     0.627202 1.79586      0.663688 0.813471 0.296566  1.31153  0.26229   
1 1 1 46 15 5  o 1.21801  0.17891   1.49004      0.43583  1.20729      0.571949 1.88156      0.673026 1.0725   0.267293  1.34341  0.259764  
1 1 1 46 15 6  o 2.96704  0.083757  8.81199      0.49702  9.24058      0.680419 8.32169      0.727752 3.03715  0.112016  2.8815   0.12628   
1 1 1 46 15 7  o 0.739319 0.234128  0.542564     0.387448 0.783024     0.485219 0.119493     0.64361  0.87468  0.259182  0.687265 0.285189  
1 1 1 46 15 8  o 7.4781   0.0801658 55.9762      1.19898  56.0904      1.63167  55.8422      1.7677   7.48256  0.109032  7.46477  0.118403  
1 1 1 46 15 9  o 7.43896  0.0787678 55.3932      1.1719   54.3652      1.65465  56.4279      1.66     7.36575  0.112321  7.50442  0.110601  
1 1 1 46 15 10 o 2.33213  0.116132  5.45143      0.541671 4.71409      0.689189 6.64291      0.876085 2.16645  0.159059  2.57093  0.170383  
1 1 1 46 15 11 o 5.84545  0.0731347 34.2028      0.855011 35.1353      1.27784  33.447       1.15049  5.92115  0.107905  5.77806  0.099557  
1 1 1 46 15 12 o 8.61006  0.0846771 74.2381      1.45815  74.3404      2.0582   74.1351      2.06609  8.60999  0.119524  8.59796  0.12015   
1 1 1 46 15 13 o 1.91513  0.146054  3.68392      0.559424 3.59689      0.800513 3.76699      0.782098 1.88784  0.212018  1.93275  0.202328  
1 1 1 46 15 14 o 4.10827  0.0864449 16.9058      0.710277 16.8905      0.99678  16.9216      1.01237  4.10313  0.121466  4.10672  0.123258  
1 1 1 46 15 15 o 3.2938   0.102107  10.8767      0.672643 10.5563      0.980513 11.1615      0.924479 3.24004  0.151312  3.33309  0.138682  
1 1 1 46 15 16 o 8.97218  0.0997931 80.7192      1.79072  78.7377      2.43988  83.033       2.63646  8.85067  0.137836  9.08636  0.145078  
1 1 1 46 15 17 o 0.758032 0.290935  0.405527     0.620886 -0.143596    0.886087 0.935207     0.870257 0.732507 0.31998   1.00126  0.350864  
1 1 1 46 15 18 o 6.26422  0.0877859 39.3367      1.09982  41.8839      1.55695  36.7997      1.55382  6.45668  0.120569  6.05023  0.12841   
1 1 1 46 15 19 o 0.990751 0.286184  1.0337       0.598848 0.760734     0.846667 1.30697      0.847131 0.938844 0.344342  1.1168   0.344839  
1 1 1 46 15 20 o 1.30199  0.26372   1.79614      0.662754 1.91365      0.900904 1.65755      0.97844  1.33085  0.337766  1.2452   0.367797  
1 1 1 46 15 21 f 2.78621  0.132307  7.81682      0.737271 7.70635      0.967697 7.96967      1.13826  2.75925  0.175355  2.8002   0.203247  
1 1 1 46 15 22 o 3.12029  0.119868  9.79771      0.748043 8.03695      0.973207 12.3399      1.16939  2.81644  0.172772  3.49126  0.167474  
1 1 1 46 15 23 o 2.14285  0.168788  4.6581       0.723375 5.1255       0.9919   4.12708      1.05724  2.23628  0.221775  1.99639  0.264787  
1 1 1 46 15 24 o 0.810611 0.309613  0.51265      0.700391 1.48601      0.938624 -0.710193    1.05206  1.16987  0.36334   0.697838 0.322026  
1 1 1 46 15 25 o 2.6917   0.149596  7.3448       0.805337 6.97114      1.09229  7.78985      1.19208  2.60509  0.209645  2.75135  0.216636  
1 1 1 46 15 26 o 0.608912 0.276641  -0.362744    0.733828 -0.268448    1.00875  -0.46874     1.06949  0.743345 0.331822  0.734799 0.333871  
1 1 1 46 15 27 f 1.13659  0.325209  1.43614      0.776921 0.130372     1.04481  3.0512       1.16197  0.825254 0.353741  1.63938  0.363977  
1 1 1 46 15 28 o 0.923099 0.32912   0.846675     0.768681 1.90246      1.06657  -0.294426    1.10882  1.28407  0.385036  0.768782 0.345407  
1 1 1 46 15 29 o 0.738486 0.311242  0.190133     0.785789 -0.101544    1.07157  0.529431     1.15574  0.78222  0.346162  0.925352 0.382964  
1 1 1 46 15 30 o 0.867889 0.33339   0.688128     0.815895 0.693647     1.14988  0.682532     1.15787  0.942861 0.384906  0.942317 0.385721  
1 1 1 46 15 31 o 2.22485  0.200041  5.21086      0.89012  5.3491       1.24209  5.06491      1.27625  2.19975  0.282324  2.1275   0.299941  
1 1 1 46 15 32 o 0.977761 0.349646  1.10524      0.868127 1.71968      1.17993  0.380091     1.28182  1.15709  0.408243  0.88263  0.385213  
1 1 1 46 15 33 o 1.14055  0.353602  1.66808      0.889521 0.410562     1.16154  3.45145      1.38325  0.845316 0.367815  1.57207  0.428367  
1 1 1 46 15 34 o 0.837207 0.342604  0.720169     0.913233 0.244022     1.37598  1.09503      1.22089  0.831849 0.378163  0.950545 0.393513  
1 1 1 46 15 35 o 0.987213 0.36395   1.38193      0.946884 2.51263      1.38455  0.388414     1.29784  1.21275  0.440775  0.814114 0.369286  
1 1 1 46 15 36 o 0.568001 0.275102  -0.775185    0.971469 -1.69859     1.42473  0.0271927    1.32808  0.607652 0.302028  0.727527 0.343538  
1 1 1 46 15 37 o 1.195    0.411228  2.72531      1.19086  3.23005      1.65642  2.18531      1.71329  1.13477  0.462398  0.965295 0.431629  
1 1 1 46 16 0  o 6.15505  0.105863  37.9471      1.30232  37.9471      1.30232  37.9471      1.30232  6.15759  0.0748008 ?        ?         
1 1 1 46 16 1  o 10.3624  0.0862574 107.489      1.78767  105.756      2.63777  108.962      2.43116  10.2722  0.128393  10.4288  0.11656   
1 1 1 46 16 2  o 1.54157  0.161406  2.38495      0.497637 2.57869      0.679723 2.16115      0.730552 1.60088  0.212297  1.44101  0.263266  
1 1 1 46 16 3  o 12.536   0.0967849 157.356      2.42659  156.348      3.45422  158.338      3.40965  12.4873  0.138309  12.5671  0.135658  
1 1 1 46 16 4  o 2.21615  0.10415   4.91885      0.461625 4.73739      0.618324 5.14735      0.693857 2.17343  0.142246  2.265    0.153169  
1 1 1 46 16 5  o 2.78003  0.0852979 7.7367       0.47426  7.76598      0.636592 7.70018      0.710965 2.78409  0.114327  2.77159  0.128259  
1 1 1 46 16 6  o 13.0478  0.102362  170.51       2.6712   169.511      3.68154  171.621      3.88169  13       0.141598  13.0787  0.148397  
1 1 1 46 16 7  o 4.31722  0.0850381 18.6594      0.734258 18.7422      1.02546  18.5723      1.05184  4.32445  0.118565  4.3045   0.122179  
1 1 1 46 16 8  o 4.23456  0.084691  17.9526      0.717258 17.4617      1.02298  18.4274      1.00595  4.17352  0.122556  4.28782  0.117303  
1 1 1 46 16 9  o 5.51261  0.0773584 30.4207      0.852893 30.6974      1.21126  30.1485      1.20115  5.5347   0.109424  5.48498  0.109494  
1 1 1 46 16 10 o 2.9959   0.106031  8.99415      0.63532  8.89709      0.936417 9.07693      0.864807 2.97597  0.15733   3.00703  0.143798  
1 1 1 46 16 11 o 5.14222  0.0802403 26.4761      0.825227 26.3425      1.17831  26.6046      1.1561   5.12583  0.114938  5.15158  0.112209  
1 1 1 46 16 12 f 3.7738   0.0846239 14.2626      0.638707 14.4807      0.83692  13.9584      0.988395 3.80063  0.110103  3.72938  0.132515  
1 1 1 46 16 13 o 2.72754  0.0961106 7.45456      0.524291 7.49947      0.75925  7.41363      0.724865 2.73277  0.138916  2.71753  0.133368  
1 1 1 46 16 14 o 3.99292  0.088751  15.9734      0.708752 15.5902      0.986998 16.3814      1.01839  3.94107  0.12522   4.03974  0.126047  
1 1 1 46 16 15 o 4.79067  0.0876049 22.9974      0.839373 24.2599      1.22285  21.8726      1.15423  4.9154   0.124389  4.6674   0.123648  
1 1 1 46 16 16 o 1.55824  0.181028  2.45104      0.564169 2.06943      0.797153 2.83401      0.79856  1.39592  0.294682  1.66984  0.239113  
1 1 1 46 16 17 o 5.94438  0.0826945 35.4106      0.983135 32.3761      1.4042   38.3284      1.37693  5.67648  0.123686  6.17904  0.111419  
1 1 1 46 16 18 f 1.5877   0.190666  2.55207      0.605438 2.68862      0.835953 2.40144      0.878034 1.62122  0.257816  1.50111  0.303076  
1 1 1 46 16 19 o 1.31447  0.251072  1.82193      0.636429 2.32709      0.849978 1.17732      0.960152 1.4774   0.298106  1.08941  0.369412  
1 1 1 46 16 20 o 2.22797  0.152945  5.00817      0.681514 4.84032      0.918669 5.21362      1.01632  2.18163  0.210546  2.26157  0.224694  
1 1 1 46 16 21 o 2.19063  0.166986  4.85275      0.731608 4.73526      1.00863  4.9832       1.0628   2.15215  0.234331  2.20642  0.240842  
1 1 1 46 16 22 o 3.50347  0.114937  12.355       0.805356 11.8789      1.07946  12.9526      1.20948  3.42563  0.157557  3.57377  0.169217  
1 1 1 46 16 23 o 1.74526  0.199551  3.11105      0.696536 2.73108      0.933445 3.58843      1.04629  1.59032  0.304331  1.855    0.282017  
1 1 1 46 16 24 o 2.21107  0.163594  4.96587      0.723436 5.2058       0.968696 4.6633       1.08782  2.25112  0.215159  2.11871  0.256718  
1 1 1 46 16 25 o 3.03781  0.134343  9.33563      0.816216 10.1643      1.14902  8.49158      1.15966  3.15437  0.182131  2.87635  0.201585  
1 1 1 46 16 26 o 4.95037  0.103692  24.7022      1.02663  24.4629      1.37295  25.0056      1.54617  4.91057  0.139795  4.95608  0.155987  
1 1 1 46 16 27 o 2.86756  0.14717   8.35963      0.844036 8.49675      1.14474  8.1963       1.24941  2.87139  0.199335  2.81003  0.222312  
1 1 1 46 16 28 o 1.16774  0.32473   1.53899      0.785473 2.31743      1.09432  0.711728     1.12811  1.40956  0.379645  0.96323  0.385886  
1 1 1 46 16 29 o 0.791398 0.319292  0.424444     0.780097 0.723899     1.07185  0.0871696    1.13752  0.941252 0.376532  0.830544 0.362679  
1 1 1 46 16 30 o 1.67702  0.248788  3.0269       0.834447 2.89207      1.17104  3.16598      1.18935  1.54119  0.381474  1.62036  0.374266  
1 1 1 46 16 31 o 0.76043  0.320256  0.292415     0.830956 0.0917496    1.12901  0.529603     1.22746  0.809422 0.357127  0.91014  0.386548  
1 1 1 46 16 32 o 1.99569  0.221629  4.32334      0.884607 5.64815      1.22671  2.88802      1.27684  2.23382  0.274576  1.45779  0.416847  
1 1 1 46 16 33 o 1.22858  0.345197  1.93147      0.883116 2.17853      1.18857  1.62697      1.3195   1.24906  0.411011  1.0989   0.423561  
1 1 1 46 16 34 o 0.737015 0.32458   0.273837     0.927109 1.78287      1.38097  -0.964358    1.25092  1.07393  0.428175  0.659444 0.317987  
1 1 1 46 16 35 o 0.665132 0.306637  -0.116897    0.950903 -0.976924    1.33628  0.765363     1.35344  0.666256 0.322683  0.866619 0.385671  
1 1 1 46 16 36 o 0.637046 0.3005    -0.186508    1.01108  0.126128     1.48178  -0.458884    1.38308  0.744501 0.355827  0.678888 0.328711  
1 1 1 46 16 37 o 0.653352 0.312978  -0.126833    1.16312  -0.635114    1.59709  0.447215     1.69727  0.671613 0.33084   0.755708 0.365599  
1 1 1 46 17 0  o 6.91209  0.109542  47.8545      1.51347  47.8545      1.51347  47.8545      1.51347  6.91489  0.0774047 ?        ?         
1 1 1 46 17 1  o 8.58094  0.0778375 73.6973      1.33584  74.5333      1.95065  72.959       1.83314  8.62521  0.113079  8.53441  0.107397  
1 1 1 46 17 2  o 4.27508  0.0745375 18.2912      0.637308 18.9335      0.894011 17.6276      0.90875  4.34787  0.10281   4.19489  0.108316  
1 1 1 46 17 3  o 3.00205  0.0856543 9.02212      0.514277 8.80163      0.699961 9.28076      0.758109 2.96366  0.118091  3.0429   0.12457   
1 1 1 46 17 4  o 3.24365  0.0781115 10.5309      0.506732 10.3174      0.708832 10.7542      0.724687 3.20908  0.110442  3.27629  0.110596  
1 1 1 46 17 5  o 2.01039  0.108195  4.04906      0.435031 4.12181      0.583613 3.95809      0.652605 2.02692  0.143966  1.98527  0.164362  
1 1 1 46 17 6  o 3.65701  0.0888596 13.3908      0.649921 12.7878      0.914064 14.0075      0.924275 3.57121  0.127977  3.73798  0.123633  
1 1 1 46 17 7  o 1.64331  0.172552  2.71413      0.567113 2.62767      0.803375 2.80001      0.800668 1.61246  0.249115  1.6651   0.240427  
1 1 1 46 17 8  o 4.18523  0.0851736 17.5389      0.712942 17.3656      1.00147  17.7169      1.01518  4.16179  0.120317  4.20364  0.12075   
1 1 1 46 17 9  o 3.15686  0.10153   9.9851       0.641033 9.28826      0.907861 10.678       0.905258 3.04128  0.149256  3.2618   0.138767  
1 1 1 46 17 10 o 2.79279  0.114188  7.81991      0.637808 7.72153      0.911811 7.91415      0.892492 2.77134  0.164507  2.80618  0.159022  
1 1 1 46 17 11 o 4.05535  0.0895189 16.4731      0.726061 15.0087      1.03104  17.9138      1.02262  3.86704  0.133311  4.22611  0.120989  
1 1 1 46 17 12 o 4.76069  0.0845271 22.6996      0.804814 22.8181      1.15832  22.589       1.11905  4.76919  0.121438  4.74562  0.117904  
1 1 1 46 17 13 o 3.61066  0.0979429 13.0665      0.707277 11.2828      1.00464  14.8193      0.995903 3.35008  0.149942  3.84196  0.129609  
1 1 1 46 17 14 o 2.69958  0.101379  7.30731      0.547361 7.73128      0.794783 6.92479      0.754926 2.77313  0.143301  2.62446  0.143825  
1 1 1 46 17 15 o 2.18839  0.128953  4.81167      0.564399 5.09111      0.815576 4.55485      0.781853 2.24593  0.181567  2.12409  0.184044  
1 1 1 46 17 16 o 0.752064 0.27601   0.468665     0.544053 0.777543     0.78782  0.187066     0.752227 0.931587 0.333087  0.748593 0.309333  
1 1 1 46 17 17 o 2.93852  0.107698  8.66799      0.632946 7.65523      0.891062 9.69942      0.899236 2.75479  0.16173   3.10351  0.144874  
1 1 1 46 17 18 o 1.88137  0.177843  3.57992      0.669177 3.57914      0.901948 3.58087      0.998052 1.87226  0.240871  1.86829  0.267103  
1 1 1 46 17 19 o 2.21645  0.153691  4.9551       0.681295 5.15026      0.914302 4.71145      1.02159  2.25237  0.202965  2.1483   0.237768  
1 1 1 46 17 20 o 2.61468  0.127065  6.88047      0.664467 6.85945      0.932113 6.90219      0.94747  2.60242  0.179086  2.61007  0.181503  
1 1 1 46 17 21 o 1.6611   0.213876  2.81648      0.710538 2.10574      0.993731 3.55995      1.01635  1.38569  0.356566  1.85545  0.273883  
1 1 1 46 17 22 f 1.45694  0.241045  2.18533      0.702378 1.60781      0.958922 2.85383      1.03169  1.21633  0.365163  1.6193   0.330002  
1 1 1 46 17 23 o 2.90012  0.126034  8.48716      0.731027 8.09646      0.968814 9.00371      1.11398  2.82163  0.171676  2.97076  0.18749   
1 1 1 46 17 24 o 1.66113  0.219708  2.841        0.729928 2.4481       0.997891 3.29315      1.07047  1.48515  0.34268   1.73747  0.320054  
1 1 1 46 17 25 o 2.38992  0.16085   5.81298      0.768836 6.18152      1.0569   5.39875      1.12049  2.44747  0.215916  2.27676  0.24607   
1 1 1 46 17 26 o 3.29193  0.128855  10.9726      0.848362 10.8382      1.15691  11.1289      1.24777  3.25355  0.177792  3.29166  0.189535  
1 1 1 46 17 27 o 1.80454  0.22049   3.38661      0.795767 2.99372      1.0644   3.88449      1.19821  1.63119  0.337676  1.86606  0.333043  
1 1 1 46 17 28 o 0.973122 0.332812  1.00372      0.779317 1.54726      1.06981  0.389184     1.13754  1.16843  0.389938  0.894413 0.3756    
1 1 1 46 17 29 o 0.656287 0.292188  -0.150376    0.777559 0.108891     1.08182  -0.427452    1.11836  0.812502 0.354254  0.738653 0.337202  
1 1 1 46 17 30 o 0.872416 0.333464  0.721689     0.812944 -0.184313    1.11167  1.76314      1.19187  0.765953 0.344897  1.20002  0.411552  
1 1 1 46 17 31 o 0.703226 0.307402  0.0659322    0.818961 0.833452     1.12216  -0.808706    1.19792  0.9431   0.381936  0.699414 0.329089  
1 1 1 46 17 32 o 1.17736  0.340335  1.74547      0.846613 1.90272      1.16279  1.56806      1.23505  1.18634  0.40653   1.09705  0.413427  
1 1 1 46 17 33 o 0.861388 0.34616   0.785011     0.911815 0.690115     1.31339  0.873304     1.26687  0.898985 0.391142  0.9245   0.392677  
1 1 1 46 17 34 o 0.57347  0.274905  -0.741861    0.901327 -1.0089      1.24554  -0.448294    1.30594  0.648316 0.313566  0.71767  0.339692  
1 1 1 46 17 35 o 0.933321 0.362335  1.32994      0.969232 1.55034      1.37609  1.11296      1.36538  0.958999 0.408348  0.888643 0.392323  
1 1 1 46 17 36 o 0.789206 0.347422  0.818758     1.06131  2.01271      1.45521  -0.537922    1.55122  0.97364  0.417415  0.693686 0.338753  
1 1 1 46 17 37 o 0.805308 0.359247  1.3279       1.18066  -0.710857    1.5781   3.91993      1.77939  0.63339  0.315241  1.0482   0.455657  
1 1 1 46 18 0  o 5.65351  0.104585  32.0222      1.18163  32.0222      1.18163  32.0222      1.18163  5.65615  0.0738896 ?        ?         
1 1 1 46 18 1  o 4.25168  0.0783095 18.0941      0.665894 18.3053      0.95726  17.8962      0.926907 4.27423  0.11198   4.22637  0.109657  
1 1 1 46 18 2  o 4.57997  0.0718543 20.9932      0.658181 19.8237      0.919068 22.2245      0.943011 4.44859  0.103299  4.71052  0.100096  
1 1 1 46 18 3  o 2.39175  0.102572  5.73017      0.490652 5.83226      0.69321  5.62767      0.694564 2.41096  0.143762  2.36814  0.146648  
1 1 1 46 18 4  o 10.3254  0.0883787 106.75       1.82508  103.358      2.61045  109.994      2.55264  10.1525  0.128561  10.4749  0.121846  
1 1 1 46 18 5  o 6.29526  0.0741103 39.6675      0.933088 38.799       1.2964   40.6009      1.34407  6.22309  0.10416   6.36579  0.105569  
1 1 1 46 18 6  o 2.23071  0.131786  4.99137      0.58795  3.99528      0.847005 5.91766      0.816792 1.99081  0.212729  2.42651  0.168306  
1 1 1 46 18 7  o 6.92805  0.0818269 48.0571      1.1338   46.2073      1.60329  49.9075      1.60358  6.78885  0.118083  7.05611  0.113631  
1 1 1 46 18 8  o 2.40587  0.131765  5.80764      0.634021 7.20653      0.928464 4.58535      0.867881 2.67674  0.173432  2.13284  0.203457  
1 1 1 46 18 9  o 7.24778  0.0831151 52.6033      1.2048   51.7945      1.66543  53.4912      1.74505  7.18718  0.115861  7.30333  0.119469  
1 1 1 46 18 10 f 5.31456  0.0801024 28.2824      0.851419 28.4094      1.24177  28.1698      1.16964  5.32255  0.116652  5.30084  0.110326  
1 1 1 46 18 11 o 8.88769  0.0880458 79.1259      1.56505  77.7744      2.16396  80.6081      2.2662   8.80443  0.122891  8.96253  0.126426  
1 1 1 46 18 12 o 3.16152  0.106533  10.0221      0.673613 8.25693      0.965121 11.6987      0.940619 2.86388  0.168499  3.41268  0.137812  
1 1 1 46 18 13 o 4.13984  0.0930463 17.1768      0.770394 16.5582      1.11093  17.7498      1.06927  4.05939  0.136835  4.2043   0.127164  
1 1 1 46 18 14 o 4.14942  0.0905864 17.2575      0.751762 17.159       1.03986  17.3653      1.08809  4.13322  0.125792  4.15723  0.130867  
1 1 1 46 18 15 o 1.83469  0.152135  3.38948      0.558241 2.81091      0.865614 3.80145      0.730434 1.65978  0.260762  1.93947  0.188308  
1 1 1 46 18 16 o 1.28243  0.230234  1.72194      0.569078 1.89032      0.887304 1.60427      0.741718 1.32545  0.334497  1.22446  0.303915  
1 1 1 46 18 17 o 1.69776  0.173943  2.91358      0.590626 2.37596      0.780557 3.6337       0.903381 1.50027  0.269974  1.88688  0.239385  
1 1 1 46 18 18 o 2.37547  0.140574  5.6827       0.667856 6.43421      0.966469 4.99586      0.923949 2.51989  0.191768  2.21783  0.2083    
1 1 1 46 18 19 o 2.94911  0.117011  8.74408      0.690158 8.9094       0.928235 8.5397       1.03206  2.97064  0.156235  2.9043   0.177678  
1 1 1 46 18 20 o 3.90755  0.102225  15.3348      0.798898 13.1019      1.10537  17.7767      1.15595  3.60202  0.153438  4.1997   0.137623  
1 1 1 46 18 21 o 2.00755  0.178827  4.09476      0.718008 5.01464      0.989535 3.07193      1.04344  2.21196  0.223678  1.68571  0.321046  
1 1 1 46 18 22 o 1.03999  0.302347  1.16204      0.666302 1.75437      0.890055 0.406899     1.00496  1.26263  0.343425  0.882063 0.359919  
1 1 1 46 18 23 o 0.599475 0.269061  -0.262541    0.6713   -1.42177     0.877845 1.37012      1.04179  0.535517 0.260019  1.14151  0.384797  
1 1 1 46 18 24 o 3.46459  0.121652  12.1179      0.842947 11.3822      1.15306  12.9626      1.23541  3.34161  0.17253   3.56579  0.173232  
1 1 1 46 18 25 o 1.89246  0.200798  3.68871      0.760005 4.22857      1.03973  3.06931      1.11369  2.00714  0.259008  1.65367  0.347728  
1 1 1 46 18 26 o 2.02481  0.190953  4.21436      0.773285 6.16695      1.05708  1.96662      1.13416  2.43981  0.216632  1.30932  0.397948  
1 1 1 46 18 27 o 2.14053  0.184585  4.7188       0.790219 5.40729      1.09995  3.98443      1.136    2.26768  0.242527  1.92402  0.295216  
1 1 1 46 18 28 o 1.13839  0.325585  1.4826       0.778876 1.65691      1.07469  1.28975      1.13041  1.19273  0.390826  1.09332  0.398184  
1 1 1 46 18 29 o 1.83343  0.217932  3.55597      0.799127 3.68202      1.12206  3.42624      1.13839  1.7885   0.325742  1.71108  0.344751  
1 1 1 46 18 30 o 0.818472 0.324304  0.562553     0.787724 0.623709     1.06054  0.487294     1.17648  0.896792 0.368465  0.89455  0.37911   
1 1 1 46 18 31 o 1.13711  0.343984  1.59698      0.848752 2.03056      1.15652  1.09088      1.2495   1.23997  0.405432  1.00567  0.404774  
1 1 1 46 18 32 o 0.659402 0.299853  -0.193035    0.866466 -0.312244    1.21305  -0.0688588   1.23807  0.747823 0.345358  0.786784 0.357952  
1 1 1 46 18 33 o 0.54376  0.263346  -1.03116     0.8897   -1.98638     1.23198  0.0100394    1.28623  0.576897 0.285708  0.7816   0.358811  
1 1 1 46 18 34 o 0.726433 0.322013  0.262588     0.932528 -0.224902    1.26432  0.844187     1.38098  0.72932  0.342005  0.88869  0.393164  
1 1 1 46 18 35 o 1.10097  0.372285  2.00558      0.975143 0.608089     1.34336  3.5622       1.41777  0.795159 0.36573   1.34731  0.448895  
1 1 1 46 18 36 o 0.883154 0.371874  1.33581      1.12008  0.214803     1.58888  2.44323      1.57922  0.756626 0.363258  1.02073  0.436128  
1 1 1 46 19 0  o 8.34375  0.108732  69.7239      1.81378  69.7239      1.81378  69.7239      1.81378  8.3469   0.0768417 ?        ?         
1 1 1 46 19 1  o 2.55537  0.108024  6.54302      0.552083 6.22891      0.824457 6.79837      0.743353 2.48989  0.165561  2.60278  0.1428    
1 1 1 46 19 2  o 8.6173   0.0804665 74.3414      1.38681  73.0216      1.99322  75.5798      1.93076  8.5351   0.116766  8.68429  0.111164  
1 1 1 46 19 3  o 1.99965  0.115941  4.00807      0.463682 4.12583      0.64108  3.87888      0.671467 2.02672  0.158157  1.9644   0.170909  
1 1 1 46 19 4  o 3.80134  0.07277   14.464       0.553247 14.9731      0.809334 14.0174      0.758004 3.86567  0.104682  3.74051  0.101324  
1 1 1 46 19 5  o 1.93585  0.152262  3.76361      0.589513 2.40389      0.843783 5.06022      0.823966 1.51467  0.288902  2.24248  0.183718  
1 1 1 46 19 6  o 1.95004  0.149159  3.81886      0.581731 3.8651       0.838305 3.77591      0.807919 1.95741  0.214137  1.93511  0.208753  
1 1 1 46 19 7  o 2.1057   0.14295   4.45198      0.602021 4.51982      0.876849 4.39148      0.82802  2.11701  0.207096  2.08747  0.198331  
1 1 1 46 19 8  o 8.60374  0.0837927 74.1306      1.44186  72.9335      2.06459  75.2703      2.01453  8.52741  0.121056  8.66395  0.116259  
1 1 1 46 19 9  o 5.38067  0.0793881 28.9902      0.854323 26.9494      1.21522  30.9845      1.20129  5.18382  0.117213  5.55958  0.108038  
1 1 1 46 19 10 o 4.37268  0.0839705 19.1505      0.734353 18.4912      1.04859  19.785       1.02875  4.29303  0.122127  4.44142  0.115814  
1 1 1 46 19 11 o 10.6248  0.0953158 113.131      2.02542  111.066      2.78709  115.441      2.94845  10.5168  0.132507  10.7202  0.137519  
1 1 1 46 19 12 o 1.00912  0.277387  1.07156      0.576907 0.60854      0.842533 1.48027      0.791588 0.897998 0.340572  1.18174  0.324963  
1 1 1 46 19 13 o 3.96706  0.093972  15.7766      0.745585 15.2299      1.07903  16.2761      1.03141  3.89216  0.138616  4.02518  0.12812   
1 1 1 46 19 14 o 3.86828  0.0965627 15.0052      0.747063 13.8938      1.05028  16.1433      1.06285  3.71646  0.141301  4.00744  0.132609  
1 1 1 46 19 15 o 0.893108 0.247982  0.837819     0.458408 0.114354     0.825672 1.16019      0.551157 0.760679 0.319744  1.04532  0.263527  
1 1 1 46 19 16 o 3.58314  0.0995141 12.8833      0.713147 12.817       0.967846 12.9621      1.05484  3.56856  0.135607  3.58667  0.147051  
1 1 1 46 19 17 o 0.885412 0.295911  0.769314     0.616081 0.40295      0.899448 1.09311      0.845585 0.856393 0.343949  1.04373  0.346673  
1 1 1 46 19 18 o 2.20629  0.142741  4.90542      0.629856 4.7446       0.948586 5.03224      0.842349 2.1584   0.219742  2.22812  0.189027  
1 1 1 46 19 19 o 3.46031  0.107271  12.029       0.742381 10.962       1.07815  12.9911      1.02373  3.29308  0.163699  3.58957  0.142598  
1 1 1 46 19 20 f 4.65278  0.100477  21.7535      0.93499  22.7207      1.25267  20.5369      1.40495  4.74687  0.131946  4.50561  0.155911  
1 1 1 46 19 21 o 3.6508   0.11142   13.4135      0.813544 14.3065      1.15705  12.5404      1.1441   3.7595   0.153884  3.51733  0.162638  
1 1 1 46 19 22 o 1.05292  0.314946  1.19221      0.714198 0.205462     0.96873  2.3672       1.0571   0.823938 0.346337  1.45643  0.363633  
1 1 1 46 19 23 o 1.71612  0.207894  3.02355      0.713542 2.65288      0.943804 3.51806      1.09014  1.55778  0.313947  1.82571  0.298554  
1 1 1 46 19 24 o 2.22636  0.171469  5.05702      0.763501 4.56519      1.00393  5.73171      1.17584  2.09565  0.239528  2.34388  0.250832  
1 1 1 46 19 25 o 0.800404 0.312527  0.47816      0.723223 -0.905655    0.974404 2.1756       1.07919  0.633143 0.297585  1.37758  0.379702  
1 1 1 46 19 26 o 4.01755  0.112025  16.3057      0.900132 16.9007      1.22021  15.5954      1.33324  4.07404  0.149754  3.90305  0.170795  
1 1 1 46 19 27 o 0.623605 0.282267  -0.304588    0.754277 0.790889     1.04176  -1.51166     1.09354  0.960094 0.375047  0.609585 0.294656  
1 1 1 46 19 28 o 0.678731 0.296808  -0.0160435   0.764095 -0.392531    1.03949  0.42649      1.12699  0.716938 0.326661  0.885825 0.37301   
1 1 1 46 19 29 o 1.15403  0.332473  1.56567      0.809277 1.52516      1.0893   1.61557      1.20903  1.13472  0.393028  1.16293  0.412948  
1 1 1 46 19 30 o 2.59395  0.165628  7.0027       0.859262 7.46879      1.16548  6.44766      1.27183  2.63951  0.220776  2.4187   0.262916  
1 1 1 46 19 31 o 1.56423  0.287172  2.8647       0.864847 2.11754      1.16116  3.79559      1.29609  1.24972  0.406244  1.70729  0.388243  
1 1 1 46 19 32 o 1.29894  0.323962  2.11349      0.839719 1.83135      1.20621  2.37883      1.16972  1.14525  0.411884  1.30192  0.405861  
1 1 1 46 19 33 o 0.744581 0.327195  0.314665     0.937911 0.630906     1.27471  -0.0586388   1.38495  0.856595 0.378508  0.781223 0.363923  
1 1 1 46 19 34 o 0.900099 0.358984  1.09785      0.970998 1.03984      1.2732   1.17849      1.50119  0.900168 0.388279  0.932424 0.411548  
1 1 1 46 19 35 o 0.843087 0.352953  1.09376      0.999367 2.24357      1.39074  -0.133888    1.43704  1.02935  0.422272  0.713479 0.343252  
1 1 1 46 19 36 o 0.883387 0.379587  1.55654      1.20821  1.3577       1.79298  1.72193      1.63523  0.828415 0.394852  0.87003  0.401483  
1 1 1 46 20 0  o 6.97194  0.104519  48.6901      1.45667  48.6901      1.45667  48.6901      1.45667  6.97488  0.0738563 ?        ?         
1 1 1 46 20 1  f 6.60066  0.077534  43.6176      1.02355  43.6696      1.50162  43.5725      1.39888  6.60032  0.113753  6.59402  0.106072  
1 1 1 46 20 2  o 11.3507  0.0925952 129.047      2.10204  124.334      2.91105  134.181      3.03852  11.1326  0.130744  11.5649  0.131369  
1 1 1 46 20 3  o 5.50122  0.0688708 30.2908      0.757747 30.4855      1.07143  30.096       1.0718   5.5164   0.0971135 5.48098  0.0977744 
1 1 1 46 20 4  o 0.503911 0.215072  -0.0083248   0.383314 -0.00385657  0.517161 -0.0137719   0.571006 0.586432 0.250039  0.613289 0.262151  
1 1 1 46 20 5  o 5.90256  0.0767172 34.8811      0.905656 33.6659      1.23159  36.312       1.33641  5.79573  0.106249  6.01857  0.111024  
1 1 1 46 20 6  o 3.489    0.0932972 12.1947      0.651028 11.2773      0.898682 13.2079      0.944405 3.35207  0.134049  3.62804  0.130154  
1 1 1 46 20 7  o 4.32037  0.0825795 18.6922      0.713549 20.8763      1.04895  16.811       0.973494 4.56281  0.114945  4.09413  0.118889  
1 1 1 46 20 8  o 3.64662  0.0932094 13.3229      0.679799 13.4835      0.957516 13.1596      0.965293 3.66527  0.13062   3.6207   0.133302  
1 1 1 46 20 9  o 2.44137  0.122028  5.98058      0.595834 6.2754       0.854735 5.70188      0.831037 2.49676  0.171169  2.37961  0.174616  
1 1 1 46 20 10 o 3.33315  0.0959019 11.1347      0.639311 11.1264      0.921289 11.1425      0.887881 3.32789  0.138419  3.33085  0.133281  
1 1 1 46 20 11 o 0.876902 0.2848    0.762902     0.570686 0.583925     0.833064 0.921165     0.783371 0.887682 0.338069  0.98016  0.333676  
1 1 1 46 20 12 o 3.83699  0.0910903 14.7569      0.699026 13.5604      0.981707 15.9875      0.995583 3.6733   0.133628  3.98978  0.124767  
1 1 1 46 20 13 o 4.32311  0.0900932 18.7344      0.778965 18.2589      1.12146  19.1776      1.0828   4.26216  0.13156   4.36932  0.12391   
1 1 1 46 20 14 o 3.94004  0.100405  15.5734      0.791198 16.6376      1.08038  14.3424      1.16191  4.06749  0.132807  3.7729   0.153981  
1 1 1 46 20 15 o 2.32556  0.148391  5.44917      0.690183 6.08573      0.957145 4.75967      0.996155 2.45077  0.195274  2.16185  0.230394  
1 1 1 46 20 16 o 4.26879  0.0854118 18.2703      0.72921  18.4826      1.09003  18.0984      0.981071 4.28661  0.127144  4.24396  0.115584  
1 1 1 46 20 17 o 2.91375  0.11277   8.52994      0.657169 7.90198      1.00296  9.00237      0.869925 2.7943   0.179466  2.9886   0.145541  
1 1 1 46 20 18 o 3.08561  0.107717  9.565        0.664744 8.93788      0.954219 10.1563      0.92657  2.97436  0.160408  3.17339  0.14599   
1 1 1 46 20 19 o 2.31151  0.147199  5.39451      0.680502 3.47024      0.991981 7.10507      0.935272 1.83318  0.270562  2.64718  0.176654  
1 1 1 46 20 20 o 1.90433  0.194594  3.69581      0.741143 3.37007      1.04779  4.02197      1.04848  1.79771  0.291422  1.97065  0.266024  
1 1 1 46 20 21 o 0.58765  0.263821  -0.259669    0.645774 -0.381021    0.910006 -0.136564    0.916554 0.68925  0.311111  0.736193 0.323479  
1 1 1 46 20 22 o 1.35109  0.264006  1.95907      0.687944 1.1401       0.956519 2.83664      0.990153 1.06078  0.368211  1.61215  0.318424  
1 1 1 46 20 23 o 0.565827 0.261174  -0.496174    0.692583 -0.309229    0.926459 -0.732991    1.04274  0.705009 0.316265  0.687918 0.318648  
1 1 1 46 20 24 o 2.65506  0.145736  7.16084      0.773875 6.76492      1.0317   7.67017      1.17018  2.56273  0.20129   2.72329  0.214847  
1 1 1 46 20 25 o 1.62387  0.231998  2.74572      0.753469 3.72706      1.03909  1.65756      1.09418  1.87615  0.27692   1.21605  0.394301  
1 1 1 46 20 26 o 2.85763  0.13976   8.30586      0.798766 9.13097      1.0823   7.3188       1.18376  2.97904  0.181651  2.64806  0.223515  
1 1 1 46 20 27 o 0.797604 0.31757   0.465076     0.758713 1.09445      1.04101  -0.248017    1.10809  1.0312   0.381342  0.767696 0.345086  
1 1 1 46 20 28 o 0.782478 0.320729  0.386516     0.80164  1.32409      1.08028  -0.762456    1.19589  1.08349  0.389779  0.717945 0.335886  
1 1 1 46 20 29 o 0.520249 0.250385  -0.9732      0.766452 -0.970642    1.0457   -0.97617     1.12668  0.635681 0.302339  0.664261 0.314934  
1 1 1 46 20 30 o 1.93755  0.214555  4.03069      0.831422 4.71127      1.11555  3.18026      1.24702  2.05174  0.271855  1.56753  0.397119  
1 1 1 46 20 31 o 1.37314  0.319516  2.31173      0.861777 2.09598      1.20955  2.53416      1.22813  1.23188  0.414623  1.3525   0.414718  
1 1 1 46 20 32 o 0.815085 0.333074  0.649413     0.8619   1.41878      1.18126  -0.226514    1.26041  1.02267  0.399393  0.751819 0.349046  
1 1 1 46 20 33 o 1.15594  0.366226  1.92957      0.947919 3.83055      1.33879  0.0185208    1.34234  1.58626  0.416621  0.776009 0.360251  
1 1 1 46 20 34 o 0.576585 0.278653  -0.735574    0.976225 0.863058     1.34853  -2.49579     1.41505  0.839502 0.378839  0.564583 0.284076  
1 1 1 46 20 35 o 0.589168 0.285275  -0.678009    1.04191  -0.747208    1.52971  -0.618126    1.42304  0.678173 0.332424  0.670713 0.326976  
1 1 1 46 20 36 o 0.760542 0.348825  1.02557      1.21255  0.0982015    1.80106  1.79435      1.63985  0.696482 0.345058  0.822365 0.386385  
1 1 1 46 21 0  o 4.58473  0.108261  21.0795      0.991449 21.0795      0.991449 21.0795      0.991449 4.588    0.0764495 ?        ?         
1 1 1 46 21 1  o 3.39041  0.0939276 11.5152      0.636907 11.2415      0.909984 11.7781      0.891738 3.34666  0.135954  3.42614  0.130138  
1 1 1 46 21 2  o 4.71252  0.0737624 22.2322      0.695214 21.599       0.972666 22.8936      0.994046 4.64236  0.10476   4.77954  0.10399   
1 1 1 46 21 3  o 1.78198  0.122423  3.18514      0.436311 3.95801      0.595821 2.29147      0.640694 1.98495  0.150085  1.50687  0.21259   
1 1 1 46 21 4  o 7.03186  0.0748896 49.5043      1.05323  48.6621      1.4488   50.4483      1.53381  6.9681   0.103959  7.09419  0.108103  
1 1 1 46 21 5  o 3.40883  0.0941231 11.6417      0.641699 11.217       0.887966 12.106       0.928381 3.34304  0.132808  3.47291  0.13366   
1 1 1 46 21 6  o 1.5389   0.179937  2.38475      0.553807 2.03917      0.793741 2.71258      0.773072 1.38938  0.294605  1.63724  0.23609   
1 1 1 46 21 7  o 4.37906  0.0824606 19.2055      0.7222   17.9783      1.00792  20.5003      1.03532  4.23338  0.119044  4.5211   0.114499  
1 1 1 46 21 8  o 2.74531  0.112694  7.55929      0.618762 6.89874      0.858395 8.27375      0.892739 2.61828  0.163924  2.86825  0.155625  
1 1 1 46 21 9  o 5.39763  0.077437  29.1781      0.835952 27.8954      1.16918  30.5196      1.19569  5.27354  0.110854  5.51638  0.108376  
1 1 1 46 21 10 o 2.2022   0.134617  4.87331      0.592907 3.94583      0.862307 5.70499      0.816556 1.9739   0.218428  2.37919  0.171604  
1 1 1 46 21 11 o 4.95065  0.0819896 24.5557      0.811803 25.3393      1.17393  23.8375      1.12384  5.02417  0.116828  4.87325  0.115307  
1 1 1 46 21 12 o 0.734362 0.286541  0.348461     0.607737 0.0371336    0.826097 0.715723     0.897244 0.744131 0.316609  0.942855 0.352958  
1 1 1 46 21 13 o 4.26515  0.100849  18.25        0.860272 19.5712      1.25553  17.0808      1.18109  4.4097   0.14236   4.11942  0.143357  
1 1 1 46 21 14 o 2.20272  0.157253  4.89292      0.692769 4.26541      0.97471  5.53352      0.984816 2.04537  0.238272  2.33451  0.210925  
1 1 1 46 21 15 o 2.5031   0.136371  6.30748      0.682699 6.68203      0.981759 5.95679      0.949988 2.56801  0.191152  2.42384  0.195968  
1 1 1 46 21 16 o 3.77717  0.0988525 14.3178      0.746766 13.8625      1.04568  14.7917      1.06681  3.70973  0.140937  3.83237  0.139184  
1 1 1 46 21 17 o 3.36347  0.102024  11.3595      0.686311 9.63503      0.969275 13.0935      0.971911 3.08899  0.156892  3.60552  0.134781  
1 1 1 46 21 18 o 3.3582   0.103786  11.3283      0.697066 11.1705      1.02865  11.4624      0.947897 3.32548  0.154662  3.37158  0.140572  
1 1 1 46 21 19 f 3.42607  0.112448  11.8121      0.770507 11.8182      1.17354  11.8075      1.02153  3.41279  0.171932  3.41728  0.149466  
1 1 1 46 21 20 o 1.71728  0.205036  3.01533      0.704209 3.02346      1.07667  3.00924      0.930947 1.66375  0.335333  1.70089  0.273664  
1 1 1 46 21 21 o 2.99777  0.122643  9.0655       0.73531  8.40351      1.01354  9.80109      1.0684   2.87286  0.176399  3.10391  0.172105  
1 1 1 46 21 22 o 1.33231  0.273784  1.91881      0.704495 1.08382      0.981357 2.80668      1.01196  1.0459   0.371976  1.59679  0.328134  
1 1 1 46 21 23 o 1.72623  0.219707  3.08079      0.758528 2.65429      1.03827  3.569        1.11084  1.53949  0.345706  1.83106  0.303333  
1 1 1 46 21 24 o 3.10411  0.134316  9.76699      0.833865 11.1451      1.17109  8.34971      1.18761  3.29933  0.177474  2.84302  0.208863  
1 1 1 46 21 25 o 1.56476  0.245085  2.56918      0.766998 3.17668      1.07958  1.95002      1.08989  1.68488  0.332202  1.30051  0.389073  
1 1 1 46 21 26 o 1.86168  0.209552  3.60381      0.780237 4.70342      1.08372  2.42043      1.12424  2.10636  0.257249  1.4359   0.383927  
1 1 1 46 21 27 o 0.710188 0.305165  0.0990458    0.780893 0.250127     1.08593  -0.0627374   1.12374  0.84097  0.360562  0.797261 0.353439  
1 1 1 46 21 28 o 1.25669  0.323922  1.84909      0.819074 1.38423      1.10104  2.42513      1.22565  1.09715  0.393623  1.3899   0.411942  
1 1 1 46 21 29 o 2.93989  0.147755  8.91716      0.868764 9.07374      1.23486  8.76371      1.22247  2.91912  0.211512  2.86745  0.213164  
1 1 1 46 21 30 o 1.1104   0.34196   1.53705      0.833786 1.04724      1.12057  2.1446       1.248    0.973905 0.386513  1.25062  0.421161  
1 1 1 46 21 31 o 1.64244  0.266514  3.07195      0.875463 1.90718      1.21146  4.34508      1.26656  1.17187  0.413641  1.85595  0.35392   
1 1 1 46 21 32 o 0.839792 0.347122  0.746608     0.947678 0.606104     1.3369   0.888515     1.34356  0.866332 0.3846    0.911189 0.396018  
1 1 1 46 21 33 o 1.13305  0.389025  1.97532      1.06522  1.57789      1.51876  2.36012      1.49444  1.003    0.428097  1.1482   0.449062  
1 1 1 46 21 34 o 0.705819 0.323273  0.257095     1.03737  -0.985822    1.45616  1.53794      1.47822  0.656244 0.322526  0.916755 0.406024  
1 1 1 46 21 35 o 1.36052  0.401425  3.28949      1.16615  4.74064      1.92414  2.44701      1.46608  1.28487  0.507565  1.03273  0.429604  
1 1 1 46 22 0  o 6.71166  0.102423  45.1276      1.37414  45.1276      1.37414  45.1276      1.37414  6.7147   0.0723722 ?        ?         
1 1 1 46 22 1  o 4.76458  0.0752852 22.7284      0.717404 22.1489      1.02007  23.2956      1.00915  4.70046  0.108507  4.82101  0.104661  
1 1 1 46 22 2  o 2.7584   0.099198  7.6247       0.547255 8.57077      0.768691 6.65236      0.77929  2.92226  0.131524  2.57299  0.151436  
1 1 1 46 22 3  o 4.3772   0.0724238 19.1816      0.634026 19.684       0.882432 18.6454      0.911575 4.43196  0.0995533 4.31286  0.105681  
1 1 1 46 22 4  o 3.0998   0.103929  9.63168      0.644321 9.51721      0.916563 9.74351      0.905946 3.07751  0.148913  3.11423  0.145452  
1 1 1 46 22 5  o 5.49054  0.078819  30.1885      0.865517 29.5627      1.18606  30.9014      1.26589  5.42984  0.109217  5.55074  0.114029  
1 1 1 46 22 6  o 1.19093  0.249443  1.49208      0.575021 1.27799      0.799465 1.72155      0.827673 1.10963  0.333481  1.27217  0.324269  
1 1 1 46 22 7  o 3.19427  0.100224  10.2286      0.640287 10.7026      0.895429 9.73272      0.915923 3.26394  0.13717   3.11146  0.147185  
1 1 1 46 22 8  o 5.34082  0.0820548 28.5743      0.87648  29.4519      1.21237  27.6134      1.2686   5.4182   0.111879  5.24493  0.120936  
1 1 1 46 22 9  o 2.16302  0.144727  4.70572      0.626095 5.09178      0.86558  4.28208      0.906717 2.24511  0.19277   2.05568  0.220539  
1 1 1 46 22 10 o 2.70861  0.122021  7.36803      0.661018 7.56834      0.941531 7.17332      0.92825  2.73953  0.171842  2.66679  0.174039  
1 1 1 46 22 11 o 4.08325  0.0928621 16.7163      0.758359 15.9532      1.06286  17.5076      1.08237  3.9835   0.133408  4.17367  0.129666  
1 1 1 46 22 12 o 0.514794 0.24148   -0.641615    0.632077 -0.97263     0.889959 -0.304683    0.897877 0.599308 0.282472  0.705992 0.314159  
1 1 1 46 22 13 o 2.17997  0.157154  4.79239      0.685182 4.5918       1.01908  4.95788      0.925631 2.12184  0.240141  2.20997  0.209422  
1 1 1 46 22 14 o 2.0201   0.155704  4.11645      0.629075 3.67044      0.892356 4.55708      0.886961 1.8969   0.235214  2.11796  0.20939   
1 1 1 46 22 15 o 1.43496  0.212192  2.09255      0.608976 2.15596      0.879875 2.03425      0.843708 1.4159   0.318448  1.37594  0.313484  
1 1 1 46 22 16 o 1.08979  0.290279  1.27035      0.644207 0.400708     0.923334 2.09518      0.899235 0.862232 0.347577  1.39173  0.328042  
1 1 1 46 22 17 o 1.6889   0.153106  2.87936      0.517163 2.62306      0.860646 3.02421      0.647    1.57152  0.284255  1.7267   0.187352  
1 1 1 46 22 18 o 5.02098  0.0947857 25.3224      0.951834 27.5145      1.35834  23.2077      1.33418  5.22378  0.130015  4.79469  0.139131  
1 1 1 46 22 19 o 2.53308  0.140047  6.48134      0.709501 6.07761      1.06574  6.8027       0.950835 2.43536  0.218805  2.58573  0.183862  
1 1 1 46 22 20 o 4.09463  0.105974  16.874       0.867851 15.58        1.23635  18.131       1.2185   3.91917  0.15773   4.23287  0.143933  
1 1 1 46 22 21 o 0.986991 0.309456  1.03309      0.678722 0.732546     0.92966  1.37612      0.993203 0.937493 0.357105  1.13648  0.375717  
1 1 1 46 22 22 o 3.81446  0.110271  14.6679      0.841251 13.2309      1.14177  16.3744      1.24424  3.60741  0.158254  4.01449  0.154968  
1 1 1 46 22 23 o 3.44258  0.120824  11.9807      0.831891 12.1571      1.17043  11.8006      1.18261  3.44988  0.169633  3.39704  0.174065  
1 1 1 46 22 24 o 3.24487  0.132463  10.6712      0.859647 10.6091      1.21047  10.7344      1.22105  3.21359  0.188335  3.23225  0.188886  
1 1 1 46 22 25 o 2.55549  0.159311  6.67605      0.814238 7.13668      1.1221   6.16374      1.18336  2.61927  0.2142    2.42006  0.244489  
1 1 1 46 22 26 o 0.66588  0.293346  -0.0806575   0.757796 0.924523     1.05054  -1.17103     1.09416  0.987513 0.378605  0.641899 0.306544  
1 1 1 46 22 27 o 3.40736  0.133008  11.8571      0.906414 11.8535      1.24315  11.8611      1.32444  3.37502  0.184169  3.36688  0.196687  
1 1 1 46 22 28 o 2.81551  0.151135  8.16666      0.851046 8.6775       1.18234  7.61743      1.22597  2.86585  0.206281  2.66798  0.229756  
1 1 1 46 22 29 o 0.922586 0.336233  0.940375     0.806148 0.864854     1.08121  1.03491      1.20972  0.940081 0.377294  0.995608 0.399291  
1 1 1 46 22 30 o 1.90019  0.224286  3.94978      0.852371 4.18104      1.16334  3.68174      1.25246  1.88486  0.308602  1.68496  0.380611  
1 1 1 46 22 31 o 0.635635 0.290569  -0.21407     0.833602 -0.800967    1.13244  0.480071     1.23157  0.654622 0.312439  0.850401 0.374308  
1 1 1 46 22 32 o 1.79789  0.264847  3.84839      0.952334 4.15505      1.31012  3.50481      1.38676  1.69752  0.393282  1.47723  0.438253  
1 1 1 46 22 33 o 0.73013  0.332019  0.241872     1.06239  1.28917      1.54769  -0.691306    1.46094  0.926425 0.412349  0.702258 0.339646  
1 1 1 46 22 34 o 1.30563  0.388001  2.92517      1.08634  2.56622      1.57841  3.24824      1.49743  1.03864  0.439594  1.19064  0.45331   
1 1 1 46 22 35 o 0.663891 0.319083  0.0237678    1.2343   -1.52712     1.97193  1.02283      1.5827   0.64991  0.327764  0.776467 0.370301  
1 1 1 46 23 0  o 4.40278  0.112439  19.4504      0.988626 19.4504      0.988626 19.4504      0.988626 4.40653  0.0793795 ?        ?         
1 1 1 46 23 1  o 7.26607  0.0749876 52.8641      1.08973  52.1226      1.53166  53.6242      1.55075  7.21027  0.106213  7.31343  0.10602   
1 1 1 46 23 2  o 9.09489  0.0803727 82.8412      1.46196  78.0842      2.04667  87.7971      2.08903  8.82278  0.115988  9.35651  0.111635  
1 1 1 46 23 3  f 5.62832  0.068836  31.7134      0.774861 33.2281      1.14228  30.4223      1.0546   5.7577   0.0991958 5.50969  0.0957043 
1 1 1 46 23 4  o 6.78231  0.0783997 46.068       1.06346  46.4961      1.56014  45.6965      1.45344  6.80802  0.114581  6.75047  0.107655  
1 1 1 46 23 5  o 1.27071  0.238622  1.68922      0.584103 2.13833      0.829605 1.24773      0.822532 1.42024  0.301216  1.10015  0.339815  
1 1 1 46 23 6  o 4.14555  0.0868572 17.2193      0.720142 16.4339      1.0217   17.9948      1.0152   4.04554  0.126275  4.23416  0.119882  
1 1 1 46 23 7  o 3.71832  0.0956299 13.8605      0.711166 12.8513      0.992953 14.9234      1.01903  3.57555  0.138853  3.85397  0.132206  
1 1 1 46 23 8  o 4.36946  0.0881014 19.1341      0.769912 18.8367      1.09197  19.4282      1.0857   4.33048  0.126079  4.39835  0.123421  
1 1 1 46 23 9  o 3.96617  0.0956718 15.7727      0.758901 15.2725      1.04588  16.329       1.10288  3.89779  0.134164  4.02992  0.136836  
1 1 1 46 23 10 o 2.09294  0.146926  4.40938      0.615017 4.20817      0.904889 4.58212      0.838438 2.03602  0.22222   2.12796  0.197005  
1 1 1 46 23 11 o 3.14441  0.110345  9.92603      0.69394  9.3225       0.995425 10.4967      0.967912 3.04003  0.163719  3.22806  0.149922  
1 1 1 46 23 12 o 0.852011 0.293743  0.685945     0.607862 1.02683      0.886387 0.383306     0.835189 1.03035  0.354762  0.829536 0.332152  
1 1 1 46 23 13 o 5.15428  0.0963626 26.6554      0.993359 26.4948      1.47855  26.7876      1.34113  5.12803  0.144163  5.1599   0.129957  
1 1 1 46 23 14 f 2.70767  0.123005  7.37135      0.666113 7.18025      0.945037 7.56004      0.939046 2.66442  0.177344  2.73495  0.171675  
1 1 1 46 23 15 o 3.76319  0.107722  14.2258      0.810758 14.8269      1.17379  13.6774      1.12119  3.83304  0.153115  3.68164  0.152267  
1 1 1 46 23 16 o 2.08202  0.164587  4.382        0.685347 3.92078      0.965967 4.84951      0.972521 1.95602  0.246921  2.18024  0.22303   
1 1 1 46 23 17 o 1.93237  0.175907  3.78876      0.679837 4.39286      0.919394 3.05997      1.00983  2.072    0.221862  1.68756  0.310851  
1 1 1 46 23 18 o 3.99615  0.0994174 16.0493      0.794574 15.4587      1.10971  16.6706      1.13822  3.91184  0.14184   4.06279  0.140079  
1 1 1 46 23 19 o 1.3217   0.252984  1.86404      0.644891 3.10446      1.00966  1.00927      0.838135 1.69362  0.309583  1.00304  0.345009  
1 1 1 46 23 20 o 2.14262  0.159332  4.66021      0.682776 3.61868      0.98714  5.61552      0.945395 1.86368  0.264836  2.34141  0.201886  
1 1 1 46 23 21 o 2.66805  0.140267  7.20859      0.748478 5.8028       1.04545  8.68687      1.07207  2.37187  0.220385  2.9156   0.18385   
1 1 1 46 23 22 o 0.651937 0.28523   -0.0793764   0.706354 -0.982193    0.968813 0.945156     1.03206  0.622372 0.293746  1.01067  0.378506  
1 1 1 46 23 23 o 2.30206  0.17016   5.41612      0.78344  5.97958      1.09323  4.82124      1.12329  2.39837  0.22791   2.14037  0.262406  
1 1 1 46 23 24 o 2.71482  0.149884  7.50972      0.813814 7.01378      1.14847  8.00989      1.15336  2.59551  0.221242  2.78036  0.207411  
1 1 1 46 23 25 o 2.97104  0.14165   8.99076      0.841693 9.1199       1.1415   8.83689      1.24603  2.96963  0.192195  2.91171  0.213969  
1 1 1 46 23 26 o 0.82536  0.32656   0.542155     0.797655 0.622946     1.11048  0.45604      1.14649  0.922229 0.377663  0.896503 0.376804  
1 1 1 46 23 27 o 2.18419  0.185502  4.97585      0.810343 4.9196       1.14042  5.03321      1.15165  2.12428  0.268426  2.14899  0.267953  
1 1 1 46 23 28 o 2.90027  0.151388  8.69017      0.878129 8.51038      1.18675  8.90772      1.30544  2.8289   0.209755  2.87982  0.226654  
1 1 1 46 23 29 o 1.32685  0.323896  2.14873      0.853196 1.21151      1.13587  3.36212      1.29244  1.015    0.392619  1.59135  0.404964  
1 1 1 46 23 30 o 1.69422  0.256439  3.23644      0.86893  2.53931      1.1556   4.14336      1.31807  1.36396  0.398706  1.78222  0.380915  
1 1 1 46 23 31 o 1.8154   0.252542  3.81392      0.916932 3.2147       1.2433   4.52852      1.35772  1.48203  0.407137  1.80765  0.386788  
1 1 1 46 23 32 o 1.28861  0.37801   2.4415       1.03698  2.39331      1.48771  2.48704      1.44618  1.162    0.449361  1.19041  0.447614  
1 1 1 46 23 33 o 0.675946 0.312423  0.0744162    0.995387 1.26967      1.50685  -0.850918    1.32584  0.888472 0.400725  0.646275 0.315161  
1 1 1 46 23 34 o 0.653827 0.311803  -0.229344    1.1219   -0.451862    1.71285  -0.0621557   1.4847   0.723083 0.353771  0.726238 0.34927   
1 1 1 46 24 0  o 4.37295  0.109055  19.1871      0.952444 19.1871      0.952444 19.1871      0.952444 4.37664  0.0769939 ?        ?         
1 1 1 46 24 1  o 1.00456  0.251609  1.06538      0.504898 1.27726      0.698589 0.833669     0.730551 1.10058  0.306306  0.938899 0.322187  
1 1 1 46 24 2  o 3.61791  0.0806603 13.1111      0.583643 12.5542      0.833839 13.6461      0.817204 3.53691  0.117877  3.68828  0.110784  
1 1 1 46 24 3  o 1.55043  0.121636  2.41315      0.377178 2.70418      0.527169 2.10792      0.539879 1.63893  0.160827  1.44532  0.186767  
1 1 1 46 24 4  o 0.687572 0.268569  0.298541     0.534188 0.0591037    0.784658 0.505379     0.729289 0.732415 0.309963  0.830051 0.316256  
1 1 1 46 24 5  o 4.0129   0.0854318 16.1359      0.685658 16.4551      0.972025 15.8197      0.967327 4.0485   0.120048  3.96933  0.12185   
1 1 1 46 24 6  o 3.2635   0.0963738 10.6785      0.629033 10.6417      0.900808 10.7135      0.878774 3.25341  0.138441  3.26485  0.134581  
1 1 1 46 24 7  o 3.66518  0.0916281 13.4664      0.671666 14.2396      0.972164 12.7602      0.92906  3.76446  0.129124  3.56339  0.130362  
1 1 1 46 24 8  o 2.83436  0.111816  8.06385      0.633852 8.01034      0.904963 8.11537      0.888079 2.81937  0.160491  2.83833  0.156444  
1 1 1 46 24 9  o 2.54644  0.124765  6.51595      0.635413 6.83445      0.895055 6.19234      0.902208 2.60217  0.171982  2.47552  0.182226  
1 1 1 46 24 10 o 1.53765  0.199911  2.3954       0.614783 1.24713      0.861004 3.58978      0.878118 1.09938  0.349107  1.87765  0.233834  
1 1 1 46 24 11 o 4.01517  0.0943269 16.172       0.757478 16.7769      1.08556  15.5981      1.05746  4.08321  0.13293   3.9369   0.134301  
1 1 1 46 24 12 o 6.9886   0.0981256 49.0097      1.37152  51.2108      2.0869   47.3361      1.81969  7.12856  0.146376  6.85829  0.132664  
1 1 1 46 24 13 o 1.48399  0.21108   2.23766      0.62648  2.47224      0.901353 2.01843      0.871361 1.52131  0.307     1.36864  0.323122  
1 1 1 46 24 14 o 5.57258  0.0952815 31.1638      1.06193  29.4946      1.48619  32.9049      1.51789  5.41099  0.137331  5.71663  0.132761  
1 1 1 46 24 15 o 1.57322  0.208953  2.5184       0.657458 2.45618      0.951033 2.57535      0.909902 1.50828  0.32457   1.55182  0.304012  
1 1 1 46 24 16 f 0.507364 0.238616  -0.661322    0.6284   -0.51136     0.853166 -0.83915     0.929059 0.645985 0.294764  0.631032 0.295421  
1 1 1 46 24 17 o 2.86112  0.127512  8.25321      0.729654 8.89263      1.00382  7.53694      1.06244  2.96069  0.169525  2.71933  0.19535   
1 1 1 46 24 18 o 3.28424  0.125172  10.879       0.822191 10.4107      1.114    11.4393      1.21852  3.19996  0.174065  3.35183  0.18177   
1 1 1 46 24 19 o 5.43306  0.0982266 29.6851      1.06734  29.1565      1.46428  30.2845      1.55907  5.37044  0.136328  5.47061  0.142495  
1 1 1 46 24 20 o 2.24575  0.154559  5.11874      0.694201 4.29532      0.991588 5.91026      0.972195 2.03466  0.243674  2.40017  0.202526  
1 1 1 46 24 21 o 1.73395  0.199836  3.08979      0.693014 2.68501      1.01058  3.44913      0.952167 1.55337  0.334841  1.81443  0.262387  
1 1 1 46 24 22 o 2.04095  0.178153  4.265        0.727203 3.55038      0.990097 5.10208      1.07157  1.83466  0.269831  2.21045  0.242387  
1 1 1 46 24 23 o 3.4451   0.120857  12.0045      0.83273  10.5608      1.17109  13.481       1.18434  3.20813  0.182519  3.63404  0.162951  
1 1 1 46 24 24 o 3.20728  0.136448  10.4554      0.875254 10.7343      1.21753  10.1571      1.25911  3.22607  0.188702  3.13171  0.201025  
1 1 1 46 24 25 o 0.864465 0.330296  0.668251     0.797316 1.75638      1.0991   -0.540435    1.15839  1.2212   0.395109  0.741416 0.340426  
1 1 1 46 24 26 f 1.11193  0.33049   1.43879      0.788122 0.930843     1.089    1.99741      1.14204  0.982508 0.383526  1.27529  0.401726  
1 1 1 46 24 27 f 0.761649 0.316127  0.334873     0.791099 1.06086      1.10534  -0.427547    1.13273  1.00695  0.38776   0.73512  0.337158  
1 1 1 46 24 28 o 2.73148  0.172047  7.80924      0.939885 7.68794      1.26112  7.96078      1.40964  2.65671  0.237347  2.67841  0.263148  
1 1 1 46 24 29 o 1.26543  0.330844  1.99404      0.846702 1.65556      1.15614  2.38557      1.24346  1.11937  0.403178  1.30939  0.419919  
1 1 1 46 24 30 o 1.5062   0.28918   2.72755      0.840046 4.26711      1.18996  1.19809      1.18605  1.84144  0.335531  0.983404 0.394963  
1 1 1 46 24 31 o 1.08229  0.369031  1.69027      0.95817  1.87027      1.33128  1.4968       1.38015  1.08309  0.423791  1.00633  0.417609  
1 1 1 46 24 32 o 0.627504 0.300949  -0.666306    1.0834   -0.387742    1.54729  -0.934227    1.51745  0.752314 0.360529  0.701627 0.341046  
1 1 1 46 24 33 o 0.862534 0.358994  1.19067      1.0246   1.85199      1.55232  0.680137     1.36391  0.942186 0.416836  0.789657 0.365259  
1 1 1 46 24 34 o 0.619203 0.297489  -0.310666    1.07028  -0.893994    1.72311  0.0557505    1.36566  0.672468 0.333957  0.698676 0.335761  
1 1 1 46 25 0  o 4.07383  0.112936  16.6637      0.918561 16.6637      0.918561 16.6637      0.918561 4.078    0.0797058 ?        ?         
1 1 1 46 25 1  o 8.28881  0.0766771 68.8173      1.27112  68.0826      1.8207   69.516       1.77543  8.23728  0.110516  8.32451  0.106639  
1 1 1 46 25 2  o 5.67762  0.0729671 32.2837      0.82856  32.2898      1.22346  32.2785      1.12611  5.67321  0.107828  5.67362  0.0992406 
1 1 1 46 25 3  o 8.00948  0.0828722 64.2772      1.32753  63.5161      1.97294  64.9068      1.79453  7.95244  0.124046  8.04235  0.111567  
1 1 1 46 25 4  o 6.17418  0.0818288 38.1942      1.01045  38.8142      1.51489  37.6973      1.35622  6.21688  0.121837  6.12906  0.110639  
1 1 1 46 25 5  o 4.93406  0.0813729 24.3925      0.802998 23.7439      1.1455   25.0191      1.12597  4.8629   0.117779  4.99262  0.112764  
1 1 1 46 25 6  o 2.16699  0.137943  4.72282      0.597843 4.3642       0.857696 5.06171      0.833767 2.07575  0.206599  2.23815  0.186263  
1 1 1 46 25 7  f 4.39096  0.0873015 19.3262      0.766674 19.6347      1.11062  19.0454      1.05966  4.42021  0.125629  4.35403  0.121687  
1 1 1 46 25 8  o 1.7062   0.174026  2.93952      0.593846 2.68182      0.866142 3.16812      0.815769 1.61881  0.267524  1.76459  0.23115   
1 1 1 46 25 9  o 0.781567 0.290618  0.493236     0.606264 1.44966      0.872965 -0.397843    0.842615 1.17006  0.347835  0.663575 0.299454  
1 1 1 46 25 10 o 3.28919  0.106875  10.8634      0.703068 10.335       0.988835 11.4036      0.999833 3.20099  0.154458  3.36348  0.148631  
1 1 1 46 25 11 o 4.69034  0.0960904 22.0722      0.901394 23.4195      1.26505  20.6827      1.2847   4.82439  0.13111   4.53138  0.141756  
1 1 1 46 25 12 o 3.36288  0.102613  11.3525      0.690151 11.7559      0.965455 10.9309      0.986941 3.41613  0.141308  3.29259  0.149873  
1 1 1 46 25 13 o 0.7001   0.280667  0.261107     0.597372 -0.21289     0.829266 0.77239      0.861265 0.690376 0.305146  0.944198 0.347201  
1 1 1 46 25 14 o 0.646527 0.274468  0.038883     0.618374 0.554779     0.853293 -0.531722    0.897398 0.878408 0.340189  0.664524 0.302977  
1 1 1 46 25 15 o 3.96179  0.0991509 15.7661      0.78563  15.5597      1.09928  15.9816      1.12321  3.92708  0.139961  3.97967  0.141118  
1 1 1 46 25 16 o 1.62206  0.202981  2.68564      0.658494 3.30572      0.887918 1.92778      0.981618 1.79076  0.247916  1.32312  0.361005  
1 1 1 46 25 17 o 0.739731 0.299678  0.279666     0.691178 0.101262     0.963085 0.469144     0.992525 0.801783 0.341517  0.892903 0.360189  
1 1 1 46 25 18 o 1.75111  0.215228  3.1489       0.753775 1.61496      1.0469   4.80013      1.08619  1.21653  0.384816  2.15137  0.25244   
1 1 1 46 25 19 o 3.56282  0.105373  12.7803      0.750848 11.9463      1.08935  13.5351      1.03635  3.42964  0.158814  3.65632  0.141721  
1 1 1 46 25 20 o 0.630404 0.273804  -0.0456491   0.641465 0.251983     0.943792 -0.301183    0.874503 0.820877 0.343283  0.684113 0.307071  
1 1 1 46 25 21 o 1.98943  0.176408  4.04982      0.701904 3.647        1.01473  4.41939      0.971937 1.85885  0.272945  2.05999  0.235908  
1 1 1 46 25 22 o 1.72808  0.21183   3.0889       0.732118 3.51329      1.07992  2.72796      0.995916 1.81375  0.297704  1.56322  0.328917  
1 1 1 46 25 23 o 1.63036  0.229226  2.78014      0.747444 4.19165      1.06077  1.38826      1.05336  1.98662  0.266977  1.12546  0.386811  
1 1 1 46 25 24 o 2.31828  0.173834  5.53067      0.805992 6.76244      1.14704  4.32934      1.13278  2.53908  0.225877  2.0054   0.282432  
1 1 1 46 25 25 o 0.821709 0.322478  0.557639     0.772027 0.718005     1.04842  0.36767      1.14108  0.928654 0.372018  0.876761 0.372545  
1 1 1 46 25 26 o 1.19238  0.323724  1.66544      0.791758 1.50998      1.08924  1.83961      1.1529   1.13016  0.392867  1.22404  0.404796  
1 1 1 46 25 27 o 0.671403 0.297212  -0.0528062   0.790761 -0.354081    1.07187  0.306985     1.17135  0.72053  0.329423  0.854819 0.370616  
1 1 1 46 25 28 o 0.733339 0.313287  0.251256     0.814678 0.726771     1.08564  -0.361666    1.23255  0.899614 0.37167   0.753996 0.348176  
1 1 1 46 25 29 o 0.921872 0.340017  0.991959     0.826528 0.291987     1.13073  1.79509      1.21119  0.815553 0.358815  1.14547  0.412656  
1 1 1 46 25 30 o 1.05645  0.355735  1.52042      0.890368 1.00872      1.25704  2.03559      1.26131  0.930763 0.393035  1.1538   0.420567  
1 1 1 46 25 31 o 2.46278  0.227302  6.93698      1.11959  7.01252      1.59947  6.8644       1.56768  2.2902   0.349199  2.27298  0.344851  
1 1 1 46 25 32 o 0.746476 0.332646  0.498773     1.00988  -1.95728     1.56557  2.24896      1.32159  0.62316  0.310683  1.07905  0.422238  
1 1 1 46 25 33 o 0.629524 0.300876  -0.337718    1.05946  1.03756      1.58104  -1.45859     1.42734  0.841709 0.390837  0.613906 0.304747  
1 1 1 46 25 34 o 0.592673 0.289004  -0.427723    1.11426  -1.30396     1.69542  0.238535     1.47838  0.614999 0.309453  0.686623 0.334471  
1 1 1 46 26 0  o 6.30628  0.104412  39.8663      1.31608  39.8663      1.31608  39.8663      1.31608  6.31014  0.073762  ?        ?         
1 1 1 46 26 1  f 2.30349  0.111414  5.32573      0.51328  5.58059      0.717711 5.05892      0.734352 2.35421  0.152431  2.24028  0.163897  
1 1 1 46 26 2  o 3.61107  0.0787152 13.0641      0.568493 12.671       0.796821 13.4717      0.811316 3.55295  0.112135  3.66365  0.110725  
1 1 1 46 26 3  o 3.99249  0.0885379 15.978       0.706974 17.3871      1.05931  14.8463      0.94933  4.15955  0.127335  3.84419  0.123476  
1 1 1 46 26 4  o 3.09297  0.102247  9.59736      0.632495 10.3055      0.922442 8.96901      0.86892  3.19993  0.144135  2.98504  0.145546  
1 1 1 46 26 5  o 3.60216  0.0943255 13.012       0.679552 13.7105      0.982198 12.3706      0.941177 3.6924   0.133003  3.50715  0.13418   
1 1 1 46 26 6  o 0.613813 0.263167  -0.0162389   0.578493 0.306492     0.848177 -0.29695     0.791034 0.815218 0.331319  0.658283 0.293846  
1 1 1 46 26 7  o 0.89124  0.288124  0.797558     0.584556 0.512634     0.845796 1.05811      0.808817 0.867715 0.338145  1.02721  0.339052  
1 1 1 46 26 8  o 2.17549  0.140184  4.76568      0.609938 4.63595      0.88068  4.88526      0.845556 2.13703  0.206053  2.19581  0.192538  
1 1 1 46 26 9  o 1.2388   0.254703  1.62532      0.609412 0.624326     0.850105 2.68355      0.874071 0.899409 0.341809  1.59243  0.284723  
1 1 1 46 26 10 o 3.51184  0.103095  12.3799      0.72411  11.9407      0.986295 12.8935      1.06649  3.44279  0.143241  3.57642  0.149101  
1 1 1 46 26 11 o 3.9663   0.096414  15.7861      0.764814 16.1603      1.05978  15.3793      1.10485  4.00687  0.132246  3.90703  0.141392  
1 1 1 46 26 12 o 2.90677  0.107751  8.48814      0.626417 8.21695      0.847792 8.8142       0.929629 2.85409  0.148522  2.95443  0.157328  
1 1 1 46 26 13 o 1.69583  0.187835  2.91665      0.637072 2.73663      0.900337 3.09716      0.901576 1.60397  0.29141   1.73625  0.259634  
1 1 1 46 26 14 o 0.802586 0.294841  0.550893     0.620955 1.32349      0.867713 -0.260073    0.889    1.11808  0.349766  0.705282 0.313299  
1 1 1 46 26 15 o 2.48261  0.140119  6.22418      0.695722 5.35873      0.95255  7.21374      1.01856  2.29021  0.207961  2.66154  0.191349  
1 1 1 46 26 16 o 2.10638  0.165739  4.50181      0.698217 4.43773      0.944881 4.57889      1.03629  2.07807  0.227346  2.10601  0.246032  
1 1 1 46 26 17 o 3.27487  0.122411  10.8175      0.801764 8.86975      1.1062   12.9731      1.16371  2.94833  0.187598  3.57451  0.162779  
1 1 1 46 26 18 o 2.24532  0.163423  5.12323      0.733875 3.97633      1.0161   6.3739       1.06107  1.95413  0.259988  2.49037  0.213036  
1 1 1 46 26 19 o 2.63245  0.144715  7.0248       0.761911 5.80099      1.01876  8.5781       1.14774  2.37283  0.214673  2.89162  0.19846   
1 1 1 46 26 20 o 1.57559  0.202795  2.55752      0.639046 2.15984      0.954355 2.88077      0.860421 1.38447  0.345413  1.65688  0.25965   
1 1 1 46 26 21 o 3.0442   0.128724  9.38386      0.783726 10.3463      1.11961  8.45914      1.09743  3.17929  0.176079  2.8688   0.19127   
1 1 1 46 26 22 o 2.08597  0.178404  4.46594      0.744289 3.60025      1.08706  5.22989      1.02119  1.83195  0.296695  2.23928  0.228017  
1 1 1 46 26 23 o 1.06265  0.325188  1.25708      0.755621 0.821394     1.06853  1.69289      1.06869  0.974211 0.379983  1.21468  0.389266  
1 1 1 46 26 24 o 1.71989  0.220035  3.1128       0.756872 3.52222      1.06412  2.6936       1.07675  1.79337  0.296681  1.5124   0.360557  
1 1 1 46 26 25 o 0.708506 0.302336  0.146286     0.757213 0.311184     1.03996  -0.0397776   1.10469  0.834477 0.355148  0.790128 0.350335  
1 1 1 46 26 26 o 0.697843 0.301327  0.0983508    0.768355 -0.534631    1.03575  0.872983     1.1458   0.686587 0.317858  0.968449 0.388515  
1 1 1 46 26 27 o 0.70826  0.309574  0.0823543    0.830419 0.998777     1.21211  -0.728253    1.13999  0.986375 0.397983  0.686993 0.322623  
1 1 1 46 26 28 o 0.94561  0.340572  1.05733      0.824954 0.637482     1.13064  1.53531      1.20636  0.882757 0.372756  1.08784  0.408864  
1 1 1 46 26 29 o 0.883078 0.33796   0.898779     0.835863 2.04425      1.1627   -0.326424    1.20248  1.19484  0.406513  0.730982 0.339971  
1 1 1 46 26 30 o 1.04653  0.366102  1.5645       0.947149 1.36801      1.31348  1.77736      1.36707  0.983357 0.407694  1.06271  0.425187  
1 1 1 46 26 31 o 1.45114  0.357176  2.98518      1.031    1.78528      1.53957  3.9608       1.38826  1.02413  0.433836  1.56618  0.430202  
1 1 1 46 26 32 o 1.0387   0.384003  1.92515      1.05544  2.59543      1.53294  1.32103      1.45532  1.06964  0.441767  0.877865 0.394992  
1 1 1 46 26 33 o 0.643745 0.307519  -0.197346    1.10327  -1.58233     1.61582  1.01228      1.51007  0.628696 0.31375   0.81589  0.380046  
1 1 1 46 27 0  o 3.50922  0.124087  12.3909      0.868426 12.3909      0.868426 12.3909      0.868426 3.51464  0.0874814 ?        ?         
1 1 1 46 27 1  o 0.77628  0.265702  0.568527     0.496713 0.184407     0.694357 0.971113     0.71085  0.722495 0.297714  0.98109  0.317784  
1 1 1 46 27 2  o 1.52828  0.156053  2.35396      0.476985 2.13358      0.651999 2.60773      0.699634 1.44873  0.225024  1.60241  0.218307  
1 1 1 46 27 3  o 1.98734  0.146911  3.9774       0.583921 4.41482      0.882021 3.6361       0.779102 2.08574  0.211441  1.89361  0.205718  
1 1 1 46 27 4  o 1.42793  0.197146  2.06548      0.56302  2.40966      0.835714 1.77943      0.761861 1.5082   0.287386  1.28962  0.300644  
1 1 1 46 27 5  o 1.36551  0.211703  1.89339      0.578166 3.09312      0.831352 0.769619     0.804606 1.74158  0.238677  0.931318 0.336255  
1 1 1 46 27 6  o 2.26654  0.134781  5.1705       0.610972 4.83455      0.868896 5.49906      0.859275 2.18331  0.198986  2.33084  0.184327  
1 1 1 46 27 7  o 2.6089   0.117538  6.84026      0.613293 6.08521      0.862401 7.61282      0.872339 2.45311  0.175777  2.7466   0.158803  
1 1 1 46 27 8  o 4.1497   0.090438  17.2705      0.750581 18.0362      1.05846  16.496       1.06453  4.23496  0.124967  4.04889  0.13146   
1 1 1 46 27 9  o 4.01968  0.0935669 16.2091      0.752217 16.5248      1.06953  15.9001      1.05816  4.05217  0.13197   3.97462  0.133114  
1 1 1 46 27 10 o 1.08288  0.279554  1.25285      0.609417 1.00997      0.844692 1.5165       0.88009  1.01498  0.34649   1.19081  0.3479    
1 1 1 46 27 11 o 3.49209  0.0936431 12.2372      0.654021 10.8954      0.862054 14.057       1.00392  3.28957  0.131028  3.73584  0.134363  
1 1 1 46 27 12 o 1.56862  0.187099  2.49536      0.586976 2.04811      0.795842 3.0289       0.869223 1.38141  0.296597  1.71804  0.252969  
1 1 1 46 27 13 o 1.78257  0.177187  3.22426      0.631699 2.93054      0.879608 3.53709      0.907772 1.68529  0.260967  1.85496  0.244688  
1 1 1 46 27 14 o 0.586824 0.261485  -0.215552    0.623922 -0.19222     0.844454 -0.2436      0.925875 0.697435 0.30814   0.722371 0.320455  
1 1 1 46 27 15 o 4.52129  0.103243  20.558       0.933585 23.1452      1.3006   17.8081      1.3409   4.78742  0.135835  4.19143  0.159957  
1 1 1 46 27 16 o 2.23739  0.172029  5.09117      0.769791 6.88684      1.04954  3.00048      1.13248  2.59381  0.202317  1.64578  0.354201  
1 1 1 46 27 17 f 1.45422  0.241606  2.18915      0.702696 2.26317      0.978102 2.1102       1.0102   1.42683  0.34586   1.37383  0.362394  
1 1 1 46 27 18 o 0.941874 0.317787  0.904145     0.710542 1.05439      0.991067 0.745233     1.01924  1.03817  0.373351  0.96053  0.37184   
1 1 1 46 27 19 o 1.01937  0.320243  1.12039      0.726386 0.49431      0.982715 1.87443      1.07848  0.88592  0.357978  1.28681  0.387448  
1 1 1 46 27 20 o 1.61667  0.191023  2.68565      0.617642 3.25091      0.936767 2.25094      0.821496 1.75646  0.266664  1.43038  0.297067  
1 1 1 46 27 21 o 1.64038  0.207205  2.78186      0.679789 1.22464      0.97022  4.28351      0.952753 1.07494  0.371059  2.02599  0.235133  
1 1 1 46 27 22 o 1.85115  0.200816  3.54836      0.74348  3.58245      1.07994  3.51765      1.02508  1.82367  0.296091  1.81284  0.282727  
1 1 1 46 27 23 o 1.99645  0.195374  4.14118      0.780109 3.08994      1.10929  5.1698       1.09729  1.63496  0.349452  2.20554  0.248757  
1 1 1 46 27 24 o 0.867192 0.329726  0.70325      0.791385 0.589465     1.06519  0.843434     1.18232  0.901646 0.369666  0.981336 0.394255  
1 1 1 46 27 25 o 1.5859   0.247776  2.71329      0.785896 2.80141      1.05675  2.60423      1.17558  1.53209  0.352053  1.44647  0.395243  
1 1 1 46 27 26 o 0.696202 0.304265  0.0555134    0.801976 -0.280066    1.11149  0.419941     1.15828  0.742311 0.338105  0.86983  0.372639  
1 1 1 46 27 27 o 0.736541 0.314175  0.268662     0.8171   -0.741682    1.1421   1.32804      1.16949  0.679358 0.320141  1.04162  0.399431  
1 1 1 46 27 28 o 1.7357   0.240212  3.35075      0.83387  3.8343       1.14251  2.79954      1.21982  1.75932  0.33671   1.42407  0.407506  
1 1 1 46 27 29 o 0.706779 0.311906  0.178587     0.861825 -0.433164    1.20778  0.813196     1.23014  0.707232 0.332119  0.891757 0.383094  
1 1 1 46 27 30 o 1.41652  0.349373  2.76093      0.984903 2.34352      1.40262  3.16694      1.38331  1.16988  0.440638  1.37822  0.442995  
1 1 1 46 27 31 o 0.760852 0.336382  0.575288     1.0086   0.304742     1.4782   0.810958     1.37964  0.780045 0.366601  0.831201 0.378081  
1 1 1 46 27 32 o 1.24506  0.392948  2.71522      1.09207  0.822219     1.61415  4.31314      1.48302  0.81776  0.384009  1.465    0.457053  
1 1 1 46 27 33 o 1.01856  0.388347  2.30389      1.10029  -0.330837    1.59315  4.70664      1.5214   0.656753 0.32517   1.33889  0.464415  
1 1 1 46 28 0  o 4.64285  0.1084    21.6357      1.00534  21.6357      1.00534  21.6357      1.00534  4.64712  0.0765328 ?        ?         
1 1 1 46 28 1  f 6.21557  0.0720609 38.704       0.895799 37.9227      1.23531  39.5706      1.30094  6.14714  0.100478  6.27858  0.103602  
1 1 1 46 28 2  o 0.839709 0.252851  0.728623     0.459305 0.932484     0.635194 0.505223     0.664937 0.95287  0.29949   0.804906 0.303348  
1 1 1 46 28 3  o 2.99782  0.103187  9.02155      0.618672 9.17225      0.931214 8.90246      0.827762 3.01554  0.154402  2.97325  0.139201  
1 1 1 46 28 4  o 2.67708  0.113593  7.20012      0.608195 7.7478       0.927891 6.78759      0.80531  2.76942  0.167524  2.59399  0.155226  
1 1 1 46 28 5  f 1.65273  0.176967  2.76225      0.584956 3.51817      0.832281 2.02433      0.822314 1.85888  0.223866  1.37376  0.30708   
1 1 1 46 28 6  o 5.17746  0.080525  26.8684      0.83383  26.5295      1.19214  27.1928      1.1667   5.1382   0.116008  5.20287  0.112121  
1 1 1 46 28 7  o 1.43323  0.207732  2.08622      0.595454 2.58419      0.841986 1.58798      0.842213 1.56329  0.279377  1.21582  0.335572  
1 1 1 46 28 8  o 3.23372  0.104219  10.4999      0.674032 10.0626      0.973485 10.9025      0.93418  3.15796  0.154132  3.28933  0.142002  
1 1 1 46 28 9  o 2.09906  0.143898  4.44209      0.604102 4.17512      0.853157 4.71053      0.855506 2.02564  0.21059   2.15365  0.198618  
1 1 1 46 28 10 o 0.955513 0.266234  0.967125     0.527468 1.20457      0.678759 0.605118     0.83809  1.06366  0.303853  0.888127 0.33884   
1 1 1 46 28 11 o 3.25577  0.0993934 10.6443      0.647205 11.3112      0.849701 9.72274      0.998856 3.35176  0.126754  3.10104  0.161052  
1 1 1 46 28 12 o 2.29041  0.131833  5.29035      0.603901 5.73355      0.837013 4.80915      0.872162 2.37673  0.176085  2.17191  0.200783  
1 1 1 46 28 13 o 2.75899  0.12482   7.67193      0.688755 7.54464      0.949745 7.81313      1.00031  2.72597  0.174203  2.77254  0.180397  
1 1 1 46 28 14 o 2.41116  0.140448  5.87513      0.677285 6.1282       0.910444 5.56156      1.01347  2.45291  0.185584  2.32884  0.217591  
1 1 1 46 28 15 o 2.11112  0.175773  4.53607      0.742155 5.2201       1.03869  3.82264      1.06078  2.25041  0.230779  1.91317  0.277233  
1 1 1 46 28 16 o 3.80123  0.110258  14.5549      0.838229 13.5139      1.17741  15.6248      1.19363  3.64758  0.161396  3.92555  0.152033  
1 1 1 46 28 17 o 1.69276  0.209535  2.94584      0.709382 3.91597      1.00358  1.9771       1.00286  1.93744  0.258995  1.32715  0.366127  
1 1 1 46 28 18 o 2.72578  0.14201   7.53495      0.774175 6.91366      1.01477  8.4001       1.19748  2.59487  0.195533  2.85465  0.209741  
1 1 1 46 28 19 o 1.84801  0.200161  3.518        0.7398   4.20457      1.03246  2.79352      1.06057  2.0011   0.257973  1.57581  0.345934  
1 1 1 46 28 20 o 1.29659  0.296508  1.85772      0.752523 1.3344       1.03403  2.44697      1.09724  1.11592  0.383273  1.46042  0.374016  
1 1 1 46 28 21 o 0.877659 0.308604  0.771269     0.673733 1.43773      0.991527 0.199624     0.918288 1.13558  0.375399  0.791117 0.335088  
1 1 1 46 28 22 o 1.06738  0.31801   1.27871      0.729137 2.00961      1.08522  0.67725      0.984443 1.30678  0.387689  0.916377 0.362719  
1 1 1 46 28 23 o 2.75067  0.145325  7.74752      0.799486 8.21104      1.07949  7.1844       1.18983  2.80696  0.192289  2.60404  0.228458  
1 1 1 46 28 24 o 1.29212  0.307838  1.92928      0.785301 1.81808      1.02215  2.08946      1.22683  1.22471  0.378917  1.29326  0.417339  
1 1 1 46 28 25 o 0.689208 0.304923  -0.0489411   0.830753 -0.640184    1.21212  0.474808     1.14084  0.72962  0.340107  0.881838 0.373502  
1 1 1 46 28 26 o 0.96064  0.337793  1.07221      0.807216 1.14888      1.17191  1.00299      1.11348  1.011    0.397147  0.971445 0.385367  
1 1 1 46 28 27 o 1.71148  0.240603  3.2487       0.823576 4.27676      1.15799  2.19643      1.17155  1.91043  0.30307   1.2657   0.407766  
1 1 1 46 28 28 o 0.739814 0.318793  0.309587     0.856644 0.422689     1.25001  0.20943      1.1763   0.844065 0.373658  0.796347 0.356824  
1 1 1 46 28 29 o 1.08472  0.355351  1.65842      0.888448 0.874712     1.3167   2.31349      1.20379  0.894805 0.390474  1.21196  0.413635  
1 1 1 46 28 30 o 1.06218  0.375394  1.72138      0.998064 2.9326       1.45649  0.649125     1.37039  1.2669   0.452904  0.845594 0.381726  
1 1 1 46 28 31 o 0.678371 0.314187  0.11929      1.01335  0.230311     1.5091   0.0281239    1.36751  0.758208 0.361592  0.722506 0.344482  
1 1 1 46 28 32 o 0.980138 0.375579  1.76083      1.03338  -0.296512    1.54694  3.41871      1.38866  0.702371 0.342141  1.26011  0.443056  
1 1 1 46 29 0  o 12.7362  0.142021  162.858      3.6166   162.858      3.6166   162.858      3.6166   12.7488  0.10031   ?        ?         
1 1 1 46 29 1  o 3.97358  0.0793266 15.8249      0.630421 16.4408      0.874842 15.1596      0.909253 4.04618  0.108107  3.88393  0.117053  
1 1 1 46 29 2  o 3.04787  0.0835508 9.31275      0.509304 9.13154      0.713441 9.50106      0.727288 3.01422  0.118346  3.07461  0.118273  
1 1 1 46 29 3  o 1.84927  0.158465  3.45048      0.586087 3.2546       0.857198 3.62244      0.803144 1.78557  0.240035  1.88791  0.212707  
1 1 1 46 29 4  o 3.70062  0.091894  13.7363      0.68013  13.1311      0.998716 14.2597      0.928784 3.61113  0.138283  3.76579  0.123319  
1 1 1 46 29 5  o 2.76716  0.11449   7.6943       0.633627 8.09987      0.911347 7.3148       0.881562 2.8324   0.160879  2.69117  0.163788  
1 1 1 46 29 6  o 4.96782  0.0849467 24.7473      0.844    24.1578      1.19894  25.3264      1.18833  4.90103  0.122315  5.01907  0.118381  
1 1 1 46 29 7  o 3.58667  0.0994238 12.9144      0.7132   13.0721      1.03076  12.7696      0.98784  3.601    0.143122  3.55994  0.138744  
1 1 1 46 29 8  o 4.73255  0.089644  22.4689      0.84849  21.1798      1.15374  23.9874      1.25219  4.58761  0.125745  4.8816   0.128256  
1 1 1 46 29 9  o 1.50116  0.191817  2.28696      0.575895 2.39037      0.805446 2.1788       0.823738 1.50023  0.278868  1.42535  0.298563  
1 1 1 46 29 10 o 0.745951 0.297992  0.319345     0.670076 0.277601     0.93086  0.36424      0.965344 0.83312  0.344175  0.864667 0.352776  
1 1 1 46 29 11 o 2.43312  0.156157  5.99202      0.7599   5.26535      1.04494  6.80767      1.10707  2.265    0.230671  2.57992  0.214555  
1 1 1 46 29 12 o 2.41804  0.156939  5.92003      0.758967 5.24677      1.05967  6.62919      1.08756  2.25923  0.23452   2.54538  0.213633  
1 1 1 46 29 13 o 3.17115  0.130106  10.1488      0.82517  10.4671      1.19075  9.8547       1.14456  3.20523  0.18575   3.1106   0.183977  
1 1 1 46 29 14 o 3.91856  0.109191  15.4608      0.855742 16.7942      1.10359  13.4502      1.3552   4.0765   0.13536   3.63102  0.186615  
1 1 1 46 29 15 o 4.71492  0.10454   22.3766      0.985798 23.0924      1.52443  21.8621      1.29238  4.7688   0.159834  4.64865  0.139006  
1 1 1 46 29 16 o 1.35008  0.269602  1.96601      0.702208 1.95665      0.949813 1.97728      1.04284  1.32294  0.352511  1.32591  0.375949  
1 1 1 46 29 17 o 3.02455  0.13273   9.2597       0.802899 9.90156      1.10686  8.54689      1.16643  3.11275  0.177794  2.88289  0.202302  
1 1 1 46 29 18 o 3.37858  0.123746  11.5458      0.836174 13.0644      1.15249  9.85789      1.21504  3.57994  0.160965  3.09545  0.196263  
1 1 1 46 29 19 o 5.45533  0.103361  30.0042      1.12773  30.4082      1.54348  29.5415      1.65172  5.47279  0.141014  5.38686  0.15331   
1 1 1 46 29 20 o 2.5764   0.158404  6.78109      0.816224 5.51398      1.10487  8.30346      1.21105  2.29181  0.241048  2.82651  0.214231  
1 1 1 46 29 21 o 1.79164  0.200099  3.32723      0.717011 4.37609      1.03414  2.35624      0.995008 2.0327   0.254375  1.43089  0.350081  
1 1 1 46 29 22 o 1.29516  0.293348  1.89459      0.742358 1.11922      0.991809 2.88236      1.11945  1.02631  0.373053  1.56309  0.364455  
1 1 1 46 29 23 o 2.16959  0.181634  4.89699      0.788146 5.3361       1.08031  4.39731      1.1524   2.23179  0.242027  1.99827  0.288348  
1 1 1 46 29 24 o 1.26717  0.318611  1.8853       0.807257 1.67663      1.13357  2.1          1.14987  1.17165  0.40139   1.29307  0.402263  
1 1 1 46 29 25 o 0.605095 0.281687  -0.509606    0.827988 -1.11768     1.16967  0.101139     1.17224  0.656542 0.31435   0.815068 0.361204  
1 1 1 46 29 26 o 0.663364 0.297087  -0.0802566   0.814497 0.630698     1.15529  -0.78286     1.14849  0.887669 0.375911  0.675443 0.319163  
1 1 1 46 29 27 o 0.718741 0.310459  0.221195     0.816169 0.737605     1.15623  -0.291671    1.15226  0.898062 0.377974  0.730276 0.337002  
1 1 1 46 29 28 o 2.13743  0.224003  5.14157      0.957581 5.96139      1.3016   4.17431      1.4138   2.21509  0.293803  1.67875  0.421374  
1 1 1 46 29 29 o 0.755125 0.32967   0.409043     0.939438 2.03584      1.36227  -1.06617     1.29725  1.10518  0.429459  0.653631 0.316967  
1 1 1 46 29 30 o 0.635015 0.297646  -0.170224    0.953624 -0.633028    1.33506  0.311889     1.36262  0.668937 0.32373   0.767029 0.358728  
1 1 1 46 29 31 o 1.5476   0.353287  3.63235      1.06986  4.13576      1.5538   3.17854      1.47526  1.37748  0.469937  1.19483  0.451389  
1 1 1 46 29 32 o 0.570488 0.278406  -0.537432    1.0415   0.406863     1.51648  -1.38048     1.43287  0.703909 0.341773  0.57917  0.289585  
1 1 1 46 30 0  f 5.06921  0.103743  25.7813      1.05079  25.7813      1.05079  25.7813      1.05079  5.07336  0.0732624 ?        ?         
1 1 1 46 30 1  o 6.12766  0.0744109 37.627       0.91193  37.9055      1.28785  37.3469      1.29149  6.14392  0.104807  6.09822  0.105891  
1 1 1 46 30 2  o 3.08321  0.0820766 9.53065      0.506118 9.31196      0.704852 9.76342      0.72719  3.04374  0.115787  3.11652  0.116667  
1 1 1 46 30 3  o 3.4675   0.0979261 12.0683      0.679117 11.8259      1.00311  12.2733      0.922748 3.42465  0.146454  3.4915   0.132142  
1 1 1 46 30 4  o 0.662091 0.273176  0.151905     0.585361 -0.0524112   0.891508 0.306742     0.776091 0.748851 0.323981  0.785351 0.317802  
1 1 1 46 30 5  o 4.61575  0.0900799 21.3738      0.831572 22.4083      1.17731  20.3438      1.17474  4.71913  0.124738  4.49514  0.130667  
1 1 1 46 30 6  o 4.67913  0.0876514 21.9616      0.820264 21.9395      1.18423  21.982       1.13726  4.66884  0.126822  4.67456  0.121643  
1 1 1 46 30 7  o 3.64785  0.0960001 13.3564      0.700389 13.974       1.00738  12.7784      0.974441 3.72428  0.135245  3.56108  0.136818  
1 1 1 46 30 8  o 1.48186  0.217682  2.24174      0.64515  2.51772      0.938023 1.99401      0.888731 1.52707  0.317656  1.35373  0.330643  
1 1 1 46 30 9  o 6.23504  0.0943524 39.0453      1.17658  39.3554      1.64526  38.7207      1.68327  6.24709  0.131682  6.19484  0.135861  
1 1 1 46 30 10 o 0.779008 0.308271  0.386183     0.710915 0.000227616  1.00537  0.772156     1.0054   0.799237 0.344891  0.973954 0.371258  
1 1 1 46 30 11 o 6.68139  0.11751   44.96        1.57027  43.542       2.17895  46.4922      2.26493  6.55182  0.166286  6.76957  0.167288  
1 1 1 46 30 12 f 5.88961  0.113457  34.9364      1.33644  33.6287      1.93847  36.121       1.84501  5.7535   0.16846   5.97031  0.154516  
1 1 1 46 30 13 o 0.757555 0.314795  0.209579     0.785881 -0.0338533   1.08353  0.479776     1.14154  0.81721  0.355412  0.936891 0.383161  
1 1 1 46 30 14 o 2.14398  0.181619  4.68837      0.778775 3.95611      1.07994  5.48174      1.1241   1.94392  0.277773  2.29993  0.244377  
1 1 1 46 30 15 o 1.4643   0.237446  2.22144      0.695381 2.01348      0.937775 2.47547      1.03645  1.34284  0.346839  1.48746  0.353194  
1 1 1 46 30 16 o 2.18884  0.160519  4.87649      0.702702 4.10849      0.946889 5.81795      1.04838  1.98831  0.238114  2.3723   0.220964  
1 1 1 46 30 17 o 2.8388   0.136412  8.171        0.774491 8.55586      1.04232  7.69659      1.15726  2.89017  0.180322  2.72885  0.212041  
1 1 1 46 30 18 o 5.07102  0.109442  25.9505      1.10997  31.1707      1.60363  21.1496      1.53789  5.53886  0.144762  4.54943  0.169021  
1 1 1 46 30 19 o 3.72217  0.124093  14.0331      0.923792 14.5323      1.25885  13.4506      1.35987  3.76848  0.167024  3.6145   0.188113  
1 1 1 46 30 20 o 2.33365  0.168092  5.58199      0.784536 5.3576       1.05787  5.85625      1.16951  2.26039  0.234002  2.35646  0.248151  
1 1 1 46 30 21 o 0.727043 0.304317  0.220648     0.742721 -0.227734    1.0266   0.713088     1.07586  0.741484 0.332767  0.940558 0.376827  
1 1 1 46 30 22 o 2.52686  0.163243  6.58772      0.824987 7.64768      1.14814  5.45632      1.1862   2.69372  0.213115  2.24463  0.264231  
1 1 1 46 30 23 o 1.02947  0.337646  1.21896      0.802122 -0.478231    1.11905  3.01238      1.15034  0.725626 0.333771  1.57679  0.370619  
1 1 1 46 30 24 o 0.603143 0.277851  -0.402862    0.778846 -1.20208     1.12023  0.344927     1.08359  0.633751 0.304447  0.839211 0.360003  
1 1 1 46 30 25 o 1.48538  0.286134  2.57056      0.8197   2.88982      1.14514  2.23507      1.17386  1.49491  0.381645  1.28986  0.407428  
1 1 1 46 30 26 o 1.06914  0.342932  1.4417       0.829285 1.60978      1.19924  1.28768      1.14801  1.10192  0.408936  1.02188  0.394828  
1 1 1 46 30 27 o 1.28408  0.348675  2.18794      0.918423 3.09162      1.25878  1.15928      1.343    1.45838  0.412892  0.974912 0.408699  
1 1 1 46 30 28 o 1.07933  0.364945  1.67477      0.937072 0.562663     1.32496  2.78777      1.32548  0.846141 0.378929  1.30387  0.434039  
1 1 1 46 30 29 o 1.27045  0.366574  2.39843      0.983069 1.63397      1.41702  3.10777      1.36498  0.993897 0.418378  1.3294   0.440458  
1 1 1 46 30 30 o 0.608018 0.289996  -0.351818    0.97129  -0.948321    1.41258  0.183119     1.3377   0.646311 0.31765   0.733123 0.345769  
1 1 1 46 30 31 o 0.537013 0.265425  -1.24852     1.05004  -1.41981     1.49976  -1.08381     1.47064  0.620392 0.30857   0.636046 0.314311  
1 1 1 46 31 0  o 0.408963 0.282324  -0.438291    0.728706 -0.438291    0.728706 -0.438291    0.728706 0.32361  0.226409  ?        ?         
1 1 1 46 31 1  o 1.13565  0.232139  1.36328      0.509044 1.80673      0.714535 0.906262     0.72538  1.29934  0.282839  0.956377 0.321088  
1 1 1 46 31 2  o 5.87736  0.0727283 34.6166      0.854901 35.2451      1.22915  34.0276      1.18983  5.9239   0.103745  5.82106  0.1022    
1 1 1 46 31 3  o 2.36784  0.133399  5.64675      0.631735 6.79453      0.978997 4.82781      0.826945 2.58791  0.189148  2.18138  0.189546  
1 1 1 46 31 4  o 4.69952  0.0874855 22.1537      0.82228  22.5497      1.20227  21.8057      1.12712  4.73307  0.127008  4.65573  0.121046  
1 1 1 46 31 5  o 2.61048  0.130816  6.86415      0.682985 6.06757      0.983469 7.6062       0.949214 2.44213  0.201354  2.74039  0.17319   
1 1 1 46 31 6  o 2.59945  0.122963  6.80353      0.639275 6.33632      0.900226 7.27881      0.907967 2.49885  0.180128  2.68051  0.169364  
1 1 1 46 31 7  o 1.03304  0.296552  1.1423       0.644989 1.29944      0.929817 0.996558     0.895456 1.11467  0.36353   1.01349  0.355835  
1 1 1 46 31 8  o 4.86194  0.101241  23.76        0.984457 24.4003      1.31628  22.9473      1.48305  4.91771  0.133831  4.76157  0.155731  
1 1 1 46 31 9  f 0.936576 0.318149  0.871211     0.712162 0.819896     0.97826  0.92907      1.03876  0.979828 0.368202  1.02304  0.380407  
1 1 1 46 31 10 f 0.600156 0.273689  -0.431584    0.733148 -0.559688    1.02247  -0.296021    1.05181  0.709044 0.323309  0.762051 0.339538  
1 1 1 46 31 11 o 3.7749   0.129691  14.3866      0.979144 15.2672      1.37919  13.4918      1.39031  3.8723   0.178085  3.63524  0.191227  
1 1 1 46 31 12 f 1.10917  0.334957  1.3324       0.805248 0.812871     1.03064  2.14654      1.29017  0.984809 0.375745  1.3809   0.425396  
1 1 1 46 31 13 o 2.07088  0.195599  4.38877      0.810122 3.79595      1.15329  4.96621      1.13823  1.89507  0.304286  2.18332  0.260665  
1 1 1 46 31 14 o 2.9469   0.142753  8.79836      0.841357 7.55473      1.18123  10.079       1.19868  2.70706  0.218176  3.13778  0.191007  
1 1 1 46 31 15 o 0.530101 0.255179  -1.10858     0.797103 -2.02083     1.18834  -0.362391    1.07475  0.606551 0.29627   0.752778 0.339034  
1 1 1 46 31 16 o 1.99251  0.202973  4.09247      0.808852 2.19893      1.14257  5.99481      1.14522  1.38182  0.394064  2.39793  0.238793  
1 1 1 46 31 17 o 1.17767  0.296181  1.5345       0.697465 1.28212      0.970972 1.80354      1.00251  1.09427  0.371488  1.261    0.372241  
1 1 1 46 31 18 o 3.19729  0.12761   10.3597      0.816011 10.698       1.14385  10.0091      1.16445  3.22941  0.177099  3.11937  0.186649  
1 1 1 46 31 19 o 1.16676  0.306337  1.52679      0.723975 0.751519     0.984128 2.44124      1.06882  0.939029 0.364994  1.45134  0.367632  
1 1 1 46 31 20 o 1.53653  0.243101  2.50297      0.747066 0.609091     1.00589  4.83269      1.11564  0.901954 0.363116  2.12559  0.262431  
1 1 1 46 31 21 o 1.85931  0.218546  3.64868      0.812689 2.43851      1.17135  4.77189      1.12848  1.40989  0.398019  2.09807  0.268932  
1 1 1 46 31 22 o 2.2519   0.184045  5.28609      0.828904 5.9808       1.17668  4.60174      1.16787  2.35514  0.249811  2.04306  0.285813  
1 1 1 46 31 23 o 1.10827  0.329924  1.45739      0.785007 0.384319     1.12521  2.47493      1.09571  0.860666 0.367949  1.40951  0.380001  
1 1 1 46 31 24 o 0.59424  0.275171  -0.431012    0.776831 -0.227195    1.09492  -0.637597    1.10233  0.738363 0.33611   0.684688 0.320764  
1 1 1 46 31 25 o 2.11285  0.204206  4.81129      0.862912 4.68362      1.23206  4.93421      1.20895  1.99484  0.308813  2.06304  0.293002  
1 1 1 46 31 26 f 0.716166 0.313544  0.173282     0.85475  1.17316      1.19525  -0.873248    1.22282  0.983473 0.395869  0.677467 0.323658  
1 1 1 46 31 27 o 1.22193  0.355608  2.06714      0.92126  3.40605      1.27717  0.614821     1.33016  1.51196  0.411449  0.863501 0.383451  
1 1 1 46 31 28 o 0.616023 0.293272  -0.57974     0.986029 -0.0284489   1.44758  -1.05693     1.34678  0.782693 0.366839  0.664695 0.322529  
1 1 1 46 31 29 o 1.0595   0.375354  1.88256      0.998395 1.1791       1.49626  2.44713      1.34044  0.877882 0.397449  1.11232  0.427314  
1 1 1 46 31 30 o 0.551026 0.269455  -0.95109     0.990377 -0.893344    1.35038  -1.0183      1.45688  0.638385 0.312749  0.648102 0.319223  
1 1 1 46 31 31 o 0.75168  0.337701  0.954392     1.05975  1.2397       1.59986  0.731327     1.41461  0.77287  0.369468  0.725536 0.346979  
1 1 1 46 32 0  o 0.592412 0.357251  0.394769     0.753571 0.394769     0.753571 0.394769     0.753571 0.542505 0.312178  ?        ?         
1 1 1 46 32 1  o 7.77194  0.0811107 60.5819      1.26077  59.9058      1.72755  61.3523      1.84417  7.71813  0.111915  7.80826  0.118091  
1 1 1 46 32 2  o 3.35127  0.0864411 11.2695      0.579375 10.6776      0.759806 12.0917      0.895544 3.25752  0.116623  3.46408  0.129262  
1 1 1 46 32 3  o 3.46552  0.10384   12.0711      0.719718 11.9755      1.04487  12.1574      0.992799 3.44192  0.151785  3.47005  0.143053  
1 1 1 46 32 4  o 0.937129 0.29403   0.914256     0.6126   1.4744       0.910565 0.451088     0.828003 1.17034  0.356741  0.838393 0.3324    
1 1 1 46 32 5  o 2.03479  0.160382  4.19358      0.652687 3.31235      0.920917 5.08297      0.925176 1.79083  0.257121  2.23085  0.207359  
1 1 1 46 32 6  o 5.7488   0.086181  33.1724      0.990874 33.292       1.45187  33.068       1.35569  5.74692  0.126317  5.73036  0.11829   
1 1 1 46 32 7  o 1.02141  0.313377  1.10517      0.701114 1.35365      0.961369 0.822874     1.02471  1.13392  0.369646  0.991551 0.375727  
1 1 1 46 32 8  o 0.938133 0.317836  0.879436     0.710761 0.493655     0.961994 1.34318      1.05473  0.889869 0.356407  1.13969  0.387179  
1 1 1 46 32 9  o 1.7945   0.214892  3.30408      0.771249 3.9263       1.08983  2.67985      1.09159  1.93857  0.281091  1.55373  0.358344  
1 1 1 46 32 10 o 3.92343  0.116969  15.5153      0.917839 15.4398      1.24628  15.6048      1.35679  3.90054  0.159758  3.91631  0.173223  
1 1 1 46 32 11 o 2.02547  0.186856  4.18795      0.756943 4.34896      1.02354  3.9936       1.12453  2.04754  0.249944  1.95055  0.288261  
1 1 1 46 32 12 o 2.84168  0.146383  8.18243      0.831947 6.96835      1.17407  9.40682      1.17904  2.59856  0.225908  3.03136  0.194475  
1 1 1 46 32 13 o 2.44442  0.172752  6.09197      0.844557 5.70823      1.25118  6.41316      1.14468  2.33468  0.267955  2.4895   0.229902  
1 1 1 46 32 14 o 0.859214 0.329631  0.597848     0.796765 -0.73122     1.11607  1.97928      1.13784  0.714902 0.330578  1.31928  0.398117  
1 1 1 46 32 15 o 1.40416  0.314508  2.18989      0.861146 1.66292      1.22479  2.70508      1.21101  1.2269   0.417227  1.53009  0.393564  
1 1 1 46 32 16 o 1.89923  0.223382  3.74443      0.848508 3.20113      1.19728  4.29265      1.20268  1.67782  0.366892  2.00407  0.300059  
1 1 1 46 32 17 o 2.93254  0.140241  8.7382       0.822526 7.37799      1.1899   9.98296      1.13827  2.66245  0.223459  3.1174   0.182568  
1 1 1 46 32 18 o 1.10369  0.306646  1.36194      0.700734 1.45164      0.943659 1.25168      1.04624  1.13697  0.365931  1.08468  0.384245  
1 1 1 46 32 19 o 1.14864  0.320189  1.50173      0.762752 1.67153      1.11465  1.35219      1.04601  1.20097  0.398026  1.10488  0.384903  
1 1 1 46 32 20 o 1.02213  0.334484  1.17703      0.787171 0.755918     1.13935  1.56162      1.08882  0.95646  0.385878  1.155    0.393387  
1 1 1 46 32 21 o 0.779592 0.320651  0.377084     0.804005 0.170833     1.20234  0.543909     1.08133  0.852706 0.372608  0.892312 0.369929  
1 1 1 46 32 22 o 2.23597  0.178717  5.2149       0.799214 4.34957      1.13049  6.07954      1.13003  1.97906  0.285611  2.37635  0.237767  
1 1 1 46 32 23 o 0.965559 0.334816  1.07633      0.79071  1.05759      1.15302  1.09297      1.08642  0.995341 0.392998  0.995739 0.384223  
1 1 1 46 32 24 o 0.868624 0.334383  0.794896     0.821828 0.983982     1.14746  0.595744     1.17761  0.958953 0.387097  0.885255 0.377374  
1 1 1 46 32 25 o 0.902108 0.340064  0.925157     0.835795 0.5092       1.14527  1.3991       1.22249  0.855129 0.368547  1.04667  0.406808  
1 1 1 46 32 26 o 0.833815 0.343595  0.710447     0.924894 1.03556      1.27002  0.343311     1.3496   0.938104 0.395544  0.837028 0.378288  
1 1 1 46 32 27 o 1.01428  0.354732  1.44985      0.889184 1.95212      1.30046  1.00887      1.21853  1.0986   0.421225  0.90634  0.385042  
1 1 1 46 32 28 o 0.621284 0.293044  -0.363394    0.961201 -0.130439    1.3742   -0.586541    1.34496  0.736324 0.348491  0.687107 0.330932  
1 1 1 46 32 29 o 0.569128 0.276454  -0.754375    0.994134 -0.68728     1.4632   -0.811903    1.35488  0.670265 0.327707  0.643025 0.314612  
1 1 1 46 32 30 o 0.620235 0.297654  -0.332193    1.06408  -0.969953    1.56319  0.218493     1.45257  0.653876 0.323346  0.729858 0.349659  
1 1 1 46 33 0  o 0.553814 0.344729  0.262645     0.749334 0.262645     0.749334 0.262645     0.749334 0.493245 0.298442  ?        ?         
1 1 1 46 33 1  o 3.08481  0.0969724 9.56112      0.598282 9.34112      0.808425 9.82751      0.889584 3.04287  0.132839  3.11899  0.142608  
1 1 1 46 33 2  o 2.9486   0.0942899 8.7333       0.556047 8.82603      0.733471 8.60797      0.852659 2.95943  0.123921  2.91828  0.146089  
1 1 1 46 33 3  o 3.69256  0.104963  13.7111      0.775165 15.2431      1.12544  12.3284      1.06922  3.88364  0.144895  3.49048  0.153162  
1 1 1 46 33 4  o 3.08454  0.110675  9.5739       0.682761 8.98915      0.96074  10.1705      0.970472 2.97844  0.161282  3.17019  0.153062  
1 1 1 46 33 5  f 2.50844  0.129149  6.3474       0.647927 5.82586      0.93267  6.83388      0.900776 2.38984  0.195132  2.59366  0.17365   
1 1 1 46 33 6  o 0.726733 0.303101  0.166235     0.732746 -0.0694605   1.00293  0.436089     1.07315  0.783031 0.341251  0.909717 0.371686  
1 1 1 46 33 7  o 2.29083  0.168021  5.33198      0.769817 5.30967      1.04545  5.3584       1.13777  2.27021  0.230254  2.27461  0.250102  
1 1 1 46 33 8  o 1.54969  0.238723  2.48067      0.739893 1.62378      1.04042  3.35742      1.05241  1.21908  0.383323  1.78798  0.294302  
1 1 1 46 33 9  o 4.30829  0.110139  18.6944      0.949021 18.3577      1.30568  19.0714      1.38178  4.2551   0.153426  4.33466  0.159387  
1 1 1 46 33 10 o 1.23779  0.299411  1.67644      0.734209 1.09748      1.01535  2.31095      1.06294  1.05704  0.37812   1.43475  0.368528  
1 1 1 46 33 11 o 3.60052  0.126524  13.0954      0.911106 11.009       1.37097  14.7458      1.21931  3.27232  0.20948   3.80891  0.160061  
1 1 1 46 33 12 o 1.46121  0.298931  2.33314      0.843451 0.114395     1.2292   4.30734      1.15949  0.886469 0.38193   2.02043  0.286941  
1 1 1 46 33 13 o 3.99038  0.134114  16.1303      1.07033  16.4665      1.47154  15.7527      1.55964  4.00948  0.183508  3.91331  0.199274  
1 1 1 46 33 14 o 2.02277  0.211262  4.22888      0.854673 3.81016      1.16599  4.71509      1.25645  1.88546  0.309206  2.10208  0.29886   
1 1 1 46 33 15 o 1.17564  0.343776  1.54623      0.858976 0.794377     1.19331  2.35471      1.23744  1.00494  0.398851  1.4218   0.411611  
1 1 1 46 33 16 o 2.21801  0.182549  5.05437      0.80979  6.65419      1.15223  3.49293      1.13833  2.52619  0.228057  1.76729  0.334225  
1 1 1 46 33 17 o 1.73201  0.229365  3.13877      0.794522 3.46199      1.11208  2.80178      1.13553  1.75737  0.328589  1.5555   0.36991   
1 1 1 46 33 18 o 0.882353 0.327644  0.73714      0.770065 -1.05961     1.11197  2.39293      1.06746  0.662321 0.313474  1.42765  0.370655  
1 1 1 46 33 19 o 0.741385 0.311689  0.228808     0.784821 0.444156     1.18678  0.0614386    1.04626  0.904328 0.381884  0.794069 0.347279  
1 1 1 46 33 20 o 0.563073 0.265351  -0.722349    0.78474  0.326605     1.18643  -1.53816     1.04631  0.876193 0.376311  0.580863 0.282613  
1 1 1 46 33 21 o 1.1306   0.327129  1.50556      0.78182  1.78512      1.15954  1.27252      1.05866  1.20233  0.405961  1.05805  0.385339  
1 1 1 46 33 22 o 0.846909 0.324091  0.701783     0.768616 0.538407     1.11763  0.848393     1.05873  0.882371 0.371503  0.937869 0.374599  
1 1 1 46 33 23 o 1.59195  0.256944  2.82811      0.818085 1.59227      1.15012  4.09375      1.1639   1.11066  0.40192   1.86987  0.311225  
1 1 1 46 33 24 o 1.53788  0.284702  2.78159      0.842745 2.85513      1.18936  2.70743      1.1943   1.4538   0.397691  1.40781  0.403338  
1 1 1 46 33 25 o 0.796722 0.334687  0.533188     0.903716 -0.28616     1.24974  1.43122      1.30837  0.742963 0.345946  1.02858  0.414115  
1 1 1 46 33 26 f 1.10336  0.360984  1.73292      0.916842 1.63249      1.34435  1.82024      1.25362  1.03248  0.41808   1.07877  0.413585  
1 1 1 46 33 27 o 1.22802  0.358428  2.17006      0.934602 1.21531      1.34202  3.06917      1.30233  0.936911 0.401233  1.36529  0.428779  
1 1 1 46 33 28 o 1.33869  0.359537  2.76805      0.983195 2.92508      1.41508  2.62151      1.36706  1.18545  0.443361  1.13225  0.432528  
1 1 1 46 33 29 o 0.659176 0.309375  -0.053364    1.04264  -0.716951    1.4953   0.574568     1.45458  0.676054 0.330711  0.785349 0.368019  
1 1 1 46 33 30 o 0.679328 0.315068  0.473033     1.02361  0.612395     1.4563   0.33695      1.43906  0.715916 0.344697  0.691294 0.334819  
1 1 1 46 34 0  o 0.509966 0.330208  0.0533564    0.769729 0.0533564    0.769729 0.0533564    0.769729 0.434976 0.280259  ?        ?         
1 1 1 46 34 1  o 2.22798  0.12655   5.00714      0.563903 4.72083      0.805499 5.28232      0.789695 2.15228  0.187127  2.27975  0.173198  
1 1 1 46 34 2  o 1.27482  0.196002  1.65946      0.499736 2.5129       0.651448 0.439078     0.779001 1.56666  0.20791   0.81598  0.32276   
1 1 1 46 34 3  o 3.00021  0.11825   9.07154      0.709549 9.55609      1.05448  8.67062      0.959181 3.06598  0.171965  2.92261  0.164097  
1 1 1 46 34 4  o 2.00979  0.160924  4.09876      0.646847 2.09858      0.921838 6.03883      0.907881 1.37854  0.336771  2.43333  0.186551  
1 1 1 46 34 5  o 2.18571  0.162105  4.84952      0.708629 3.33284      1.03435  6.191        0.972782 1.78283  0.290088  2.46058  0.197673  
1 1 1 46 34 6  o 2.73319  0.1456    7.56266      0.795905 9.07629      1.1796   6.29769      1.07836  2.97877  0.198001  2.47545  0.217811  
1 1 1 46 34 7  o 1.61776  0.239391  2.70613      0.774555 3.19116      1.09087  2.21299      1.09996  1.70728  0.331299  1.40329  0.381822  
1 1 1 46 34 8  o 3.02118  0.140707  9.2375       0.850204 8.6314       1.20134  9.84569      1.2034   2.90008  0.207122  3.10226  0.193956  
1 1 1 46 34 9  o 3.8151   0.119271  14.6848      0.91006  13.8766      1.24958  15.5977      1.32804  3.69176  0.169239  3.91385  0.169658  
1 1 1 46 34 10 o 0.846852 0.325196  0.567961     0.776063 0.401429     1.15879  0.703402     1.04504  0.920687 0.382399  0.956131 0.375198  
1 1 1 46 34 11 o 2.68497  0.162415  7.34092      0.872158 7.18333      1.2733   7.4802       1.19706  2.62726  0.242324  2.68923  0.222566  
1 1 1 46 34 12 o 4.97625  0.114385  25.0041      1.13841  25.6446      1.67313  24.452       1.55345  5.01258  0.166893  4.89948  0.158532  
1 1 1 46 34 13 o 1.37925  0.327042  2.12896      0.889612 1.43615      1.23129  2.88558      1.28674  1.16676  0.416489  1.57431  0.406116  
1 1 1 46 34 14 o 2.26855  0.189859  5.28864      0.861407 5.20551      1.19105  5.37981      1.24733  2.22104  0.268128  2.2541   0.276679  
1 1 1 46 34 15 o 1.05759  0.341215  1.22461      0.820125 1.53927      1.16585  0.916369     1.15391  1.18041  0.40682   1.01882  0.395387  
1 1 1 46 34 16 o 0.982858 0.33589   1.0203       0.793799 0.806246     1.09988  1.25301      1.14679  0.9782   0.384594  1.09781  0.400937  
1 1 1 46 34 17 o 2.25376  0.186573  5.25262      0.840981 4.7326       1.1542   5.84114      1.22788  2.09948  0.274876  2.33957  0.262415  
1 1 1 46 34 18 o 2.16545  0.20249   4.90374      0.876964 4.51161      1.22949  5.30986      1.25123  2.02188  0.304046  2.20706  0.283459  
1 1 1 46 34 19 o 1.2902   0.312748  1.92754      0.799772 0.307815     1.19651  3.23568      1.07528  0.875853 0.37708   1.6687   0.333984  
1 1 1 46 34 20 f 2.62588  0.160826  7.12724      0.844619 8.14024      1.22565  6.21115      1.16556  2.76583  0.221571  2.40159  0.242663  
1 1 1 46 34 21 o 1.51033  0.270853  2.58134      0.788493 3.6392       1.17742  1.72115      1.06173  1.73798  0.351021  1.17431  0.388462  
1 1 1 46 34 22 o 0.62432  0.285144  -0.297067    0.800773 -0.871267    1.12762  0.287111     1.13737  0.663457 0.314795  0.829133 0.362353  
1 1 1 46 34 23 f 3.26183  0.143095  11.0497      0.933502 10.2249      1.30292  11.9197      1.33812  3.07109  0.212127  3.3291   0.200974  
1 1 1 46 34 24 o 1.47782  0.317651  2.71237      0.911889 3.39591      1.23375  1.88933      1.3538   1.57663  0.392356  1.14036  0.431939  
1 1 1 46 34 25 f 0.915262 0.349237  1.07562      0.890403 0.852948     1.27548  1.28729      1.24357  0.895996 0.387578  0.974745 0.399492  
1 1 1 46 34 26 o 1.1543   0.347515  1.87086      0.867655 2.2549       1.22471  1.48386      1.22941  1.17959  0.415944  0.996225 0.401285  
1 1 1 46 34 27 o 0.696443 0.317067  0.214707     0.975025 0.497764     1.46045  -0.0129101   1.30964  0.800189 0.373126  0.725833 0.34227   
1 1 1 46 34 28 o 0.692521 0.31473   0.318239     0.951532 -0.459957    1.3168   1.16863      1.37653  0.663612 0.321214  0.849169 0.383001  
1 1 1 46 34 29 o 0.866664 0.361396  1.39267      1.04141  1.92538      1.49033  0.884343     1.45584  0.901482 0.402844  0.776696 0.36472   
1 1 1 46 35 0  o 4.09081  0.121798  16.8512      0.994506 16.8512      0.994506 16.8512      0.994506 4.09792  0.0858874 ?        ?         
1 1 1 46 35 1  o 2.03184  0.136391  4.17319      0.55425  3.43994      0.783557 4.90745      0.7841   1.83036  0.214044  2.19491  0.178618  
1 1 1 46 35 2  o 1.01502  0.284475  1.11157      0.600495 0.967664     0.952866 1.20637      0.773402 1.01054  0.36582   1.06135  0.32985   
1 1 1 46 35 3  o 1.3457   0.253442  1.93436      0.657106 2.31356      1.02944  1.67362      0.853631 1.4403   0.35838   1.23202  0.336871  
1 1 1 46 35 4  o 4.63645  0.0923554 21.6059      0.856403 21.5306      1.34225  21.6576      1.1122   4.61105  0.145547  4.63389  0.120007  
1 1 1 46 35 5  o 2.73459  0.14722   7.57598      0.805173 6.8696       1.12517  8.31735      1.1527   2.58403  0.217717  2.84876  0.202316  
1 1 1 46 35 6  o 1.89386  0.222221  3.69584      0.841712 3.13355      1.27752  4.12717      1.11891  1.66367  0.390268  1.98308  0.282114  
1 1 1 46 35 7  o 1.23132  0.321471  1.67362      0.800122 1.41257      1.1739   1.90012      1.09347  1.16452  0.407557  1.30175  0.389765  
1 1 1 46 35 8  o 1.38264  0.298558  2.0924       0.802133 2.60086      1.17935  1.65471      1.09421  1.51149  0.38815   1.22499  0.394019  
1 1 1 46 35 9  o 2.84917  0.1538    8.24899      0.876404 8.46798      1.25366  8.03969      1.22565  2.86347  0.218907  2.78981  0.219666  
1 1 1 46 35 10 o 2.7544   0.159286  7.72656      0.877476 7.07795      1.25984  8.33764      1.22286  2.60588  0.241731  2.84023  0.215274  
1 1 1 46 35 11 o 2.24194  0.181174  5.14997      0.812364 4.60191      1.14751  5.7006       1.1502   2.08701  0.274918  2.3352   0.246275  
1 1 1 46 35 12 o 3.77598  0.139464  14.4688      1.05323  16.5596      1.42765  11.9719      1.56012  4.02144  0.177505  3.39249  0.229937  
1 1 1 46 35 13 o 2.43676  0.185176  6.09478      0.902458 5.40212      1.2425   6.86821      1.31294  2.25923  0.274984  2.55645  0.25679   
1 1 1 46 35 14 f 4.48131  0.11632   20.3151      1.04253  22.2936      1.52795  18.5917      1.42604  4.6685   0.163645  4.26114  0.167331  
1 1 1 46 35 15 o 0.781056 0.321692  0.31679      0.810327 0.149814     1.11917  0.500777     1.1748   0.845699 0.364401  0.929557 0.385491  
1 1 1 46 35 16 o 3.34221  0.138927  11.3839      0.928646 11.4426      1.30487  11.3237      1.3219   3.32012  0.196509  3.30049  0.200259  
1 1 1 46 35 17 o 1.46621  0.301247  2.43323      0.853063 2.46263      1.20881  2.40406      1.20403  1.41647  0.405768  1.3999   0.406258  
1 1 1 46 35 18 o 0.919082 0.336781  0.869072     0.80973  1.22905      1.13371  0.494225     1.1569   1.0624   0.396941  0.901304 0.378652  
1 1 1 46 35 19 o 1.74619  0.239605  3.27493      0.83679  3.38407      1.19659  3.17047      1.17064  1.67591  0.367053  1.61907  0.369519  
1 1 1 46 35 20 o 1.54581  0.277248  2.71056      0.826064 2.01128      1.1493   3.4579       1.18813  1.25642  0.403784  1.68425  0.363078  
1 1 1 46 35 21 o 1.96426  0.214888  4.15052      0.844192 2.24841      1.17406  6.18661      1.21471  1.30179  0.406774  2.36142  0.257199  
1 1 1 46 35 22 o 1.29263  0.317805  2.04795      0.816939 1.42842      1.1496   2.67998      1.16114  1.06145  0.399093  1.4143   0.395317  
1 1 1 46 35 23 o 1.39705  0.328314  2.44116      0.902835 2.88917      1.28773  2.00803      1.26614  1.42408  0.422281  1.18729  0.42249   
1 1 1 46 35 24 o 1.07991  0.357293  1.60101      0.898187 0.580122     1.24427  2.71176      1.29788  0.854114 0.376086  1.32061  0.429495  
1 1 1 46 35 25 o 0.684033 0.305386  0.125233     0.854665 0.191781     1.19888  0.0564636    1.21873  0.771997 0.351497  0.757297 0.348331  
1 1 1 46 35 26 o 0.739422 0.326705  0.412812     0.94941  0.309758     1.43602  0.492837     1.26544  0.79704  0.371013  0.799068 0.363099  
1 1 1 46 35 27 o 0.978207 0.363079  1.60841      0.945429 0.223091     1.29946  3.16641      1.37808  0.732528 0.344111  1.2382   0.440753  
1 1 1 46 35 28 o 0.572956 0.277142  -0.629961    0.973799 -1.06582     1.35984  -0.171172    1.39516  0.621314 0.305992  0.696661 0.335906  
1 1 1 46 36 0  o 2.28009  0.179944  5.34571      0.808819 5.34571      0.808819 5.34571      0.808819 2.29636  0.125382  ?        ?         
1 1 1 46 36 1  f 3.41549  0.0919147 11.7264      0.627867 11.1628      0.904811 12.2498      0.871975 3.32194  0.136187  3.48301  0.125175  
1 1 1 46 36 2  o 1.82396  0.16999   3.38648      0.62011  2.75079      0.929205 3.89693      0.832654 1.59093  0.302934  1.94635  0.213901  
1 1 1 46 36 3  o 1.54877  0.223847  2.47397      0.693377 2.83134      1.09232  2.23279      0.897346 1.59397  0.352059  1.4226   0.322732  
1 1 1 46 36 4  o 4.5075   0.0964309 20.4378      0.869325 20.7344      1.32068  20.211       1.15478  4.52266  0.146007  4.47181  0.129118  
1 1 1 46 36 5  o 2.99651  0.145401  9.10232      0.871393 10.1215      1.26908  8.19321      1.19861  3.13981  0.202094  2.82109  0.212437  
1 1 1 46 36 6  o 5.21762  0.119934  27.4844      1.25154  30.8751      1.80619  24.353       1.73579  5.50732  0.163981  4.88365  0.177715  
1 1 1 46 36 7  o 0.682253 0.30269   -0.19622     0.826344 -0.0371116   1.21736  -0.332175    1.12531  0.855773 0.37443   0.776231 0.348378  
1 1 1 46 36 8  o 3.32813  0.13836   11.2305      0.920961 10.6532      1.34318  11.7426      1.26518  3.2135   0.208991  3.3842   0.186925  
1 1 1 46 36 9  o 1.78766  0.236766  3.3297       0.846516 2.98727      1.23761  3.63075      1.16042  1.61129  0.388091  1.80945  0.333138  
1 1 1 46 36 10 o 2.65797  0.158186  7.19848      0.840907 7.98597      1.20366  6.44767      1.17529  2.77702  0.216718  2.48723  0.236265  
1 1 1 46 36 11 o 2.40565  0.178775  5.92875      0.860137 5.53411      1.19113  6.35878      1.24339  2.29394  0.259624  2.46221  0.252495  
1 1 1 46 36 12 o 0.760089 0.318872  0.205283     0.818515 -0.344275    1.11162  0.856094     1.2097   0.764109 0.344433  1.01907  0.402487  
1 1 1 46 36 13 o 2.54219  0.178673  6.64323      0.908442 5.516        1.25026  7.90398      1.32223  2.27489  0.274795  2.74276  0.241039  
1 1 1 46 36 14 o 1.89724  0.22917   3.7677       0.869581 3.68619      1.20639  3.85585      1.25457  1.80326  0.34688   1.84139  0.353261  
1 1 1 46 36 15 o 0.99425  0.347218  1.0565       0.851653 -0.992769    1.18577  3.23997      1.22398  0.695513 0.3273    1.65892  0.377318  
1 1 1 46 36 16 o 3.70059  0.13131   13.9609      0.97185  13.6114      1.36538  14.3198      1.38361  3.61698  0.188745  3.71172  0.186384  
1 1 1 46 36 17 o 1.50134  0.283896  2.5348       0.821399 3.11948      1.13885  1.90086      1.18585  1.61861  0.36108   1.24486  0.41054   
1 1 1 46 36 18 o 0.980384 0.335936  1.07682      0.794018 1.48666      1.12362  0.66801      1.12221  1.12243  0.398142  0.924004 0.379232  
1 1 1 46 36 19 o 1.35266  0.305914  2.13715      0.808302 1.86172      1.12914  2.42666      1.15762  1.21566  0.400604  1.38087  0.39758   
1 1 1 46 36 20 o 1.25048  0.323338  1.89033      0.814429 2.49305      1.12463  1.2257       1.18098  1.38782  0.389424  1.03179  0.400086  
1 1 1 46 36 21 o 0.950507 0.345793  1.06295      0.852312 0.1809       1.14746  2.14852      1.27299  0.806205 0.35731   1.24237  0.425357  
1 1 1 46 36 22 o 1.69485  0.264019  3.263        0.894944 3.63047      1.26273  2.89212      1.26857  1.65546  0.387782  1.43742  0.416957  
1 1 1 46 36 23 o 1.3283   0.329152  2.28249      0.871087 2.40369      1.24925  2.16779      1.21526  1.25921  0.421373  1.20218  0.415252  
1 1 1 46 36 24 o 0.537893 0.260448  -0.953689    0.868473 -0.193598    1.22875  -1.71243     1.22766  0.729289 0.340912  0.587423 0.289534  
1 1 1 46 36 25 o 0.724505 0.321406  0.280947     0.93141  0.153905     1.37271  0.389336     1.26794  0.787246 0.365021  0.801433 0.363983  
1 1 1 46 36 26 o 0.665854 0.306995  0.0794694    0.953377 -0.961708    1.33033  1.1788       1.36697  0.636133 0.311358  0.869909 0.387351  
1 1 1 46 36 27 o 0.657356 0.304421  0.0637721    0.950998 0.313964     1.29877  -0.225432    1.39636  0.742317 0.347836  0.700933 0.337495  
1 1 1 46 36 28 o 0.728348 0.329342  0.786561     1.02427  1.78503      1.46096  -0.178675    1.43644  0.843494 0.385205  0.655667 0.321628  
1 1 1 46 37 0  o 3.38849  0.139728  11.6145      0.943272 11.6145      0.943272 11.6145      0.943272 3.39829  0.098323  ?        ?         
1 1 1 46 37 1  o 5.79061  0.0826509 33.6843      0.957199 34.8959      1.36755  32.5207      1.34023  5.8807   0.116274  5.67626  0.118056  
1 1 1 46 37 2  o 3.49272  0.108741  12.2963      0.759604 12.3193      1.08795  12.2745      1.06104  3.48133  0.156255  3.47629  0.152611  
1 1 1 46 37 3  o 2.6264   0.141285  6.99227      0.74214  6.90391      1.12932  7.05944      0.984592 2.58565  0.218382  2.62554  0.187503  
1 1 1 46 37 4  o 3.42761  0.120328  11.8676      0.824876 12.242       1.20644  11.5389      1.13037  3.46231  0.174225  3.36385  0.168018  
1 1 1 46 37 5  o 2.42555  0.17249   6.00945      0.836766 6.53171      1.22815  5.55698      1.14315  2.50212  0.245422  2.30697  0.247759  
1 1 1 46 37 6  o 1.29672  0.325364  1.88036      0.843157 0.810128     1.2502   2.77328      1.14195  1.023    0.407545  1.55976  0.370973  
1 1 1 46 37 7  o 2.18287  0.196589  4.90298      0.858253 3.90173      1.22427  5.87056      1.2035   1.87365  0.339161  2.36633  0.254298  
1 1 1 46 37 8  o 2.59106  0.165799  6.8532       0.859191 5.28719      1.21521  8.41851      1.21494  2.23778  0.271522  2.85291  0.212931  
1 1 1 46 37 9  o 0.552972 0.263496  -0.91414     0.797578 -0.704964    1.13546  -1.11787     1.12058  0.723181 0.334036  0.666444 0.315076  
1 1 1 46 37 10 o 3.03256  0.152719  9.36387      0.926257 9.10518      1.31001  9.62249      1.30984  2.96141  0.221181  3.04751  0.214903  
1 1 1 46 37 11 o 1.38828  0.312631  2.15722      0.847145 3.00578      1.17042  1.22355      1.22772  1.61579  0.369975  1.10462  0.413     
1 1 1 46 37 12 f 0.75749  0.318061  0.211446     0.815538 0.0272098    1.18769  0.375814     1.12182  0.845823 0.369959  0.890281 0.37339   
1 1 1 46 37 13 o 0.636269 0.289122  -0.35165     0.802322 -0.690949    1.15453  -0.0347554   1.11577  0.724984 0.335617  0.809978 0.356397  
1 1 1 46 37 14 o 0.823606 0.333034  0.463912     0.851381 0.479771     1.21597  0.448661     1.19245  0.924837 0.388352  0.913048 0.384044  
1 1 1 46 37 15 o 1.25027  0.325387  1.81479      0.821385 1.65937      1.12584  1.99166      1.20103  1.18328  0.400018  1.27693  0.413013  
1 1 1 46 37 16 f 1.59809  0.255986  2.75918      0.818181 1.6927       1.1228   3.96665      1.19472  1.18606  0.399477  1.84996  0.335231  
1 1 1 46 37 17 o 1.55821  0.277858  2.72788      0.834795 2.3998       1.15849  3.08224      1.20398  1.386    0.397296  1.58447  0.383507  
1 1 1 46 37 18 o 1.36457  0.303764  2.16979      0.807404 2.01087      1.1375   2.33116      1.14623  1.25867  0.401426  1.3542   0.397481  
1 1 1 46 37 19 o 1.6901   0.243122  3.12675      0.821802 3.20548      1.15287  3.04541      1.17176  1.60198  0.367449  1.54769  0.380678  
1 1 1 46 37 20 o 0.863014 0.337753  0.760967     0.845695 1.12885      1.15042  0.328409     1.24745  0.991536 0.39222   0.853163 0.376043  
1 1 1 46 37 21 o 1.83833  0.242563  3.76395      0.891819 4.47906      1.24418  3.00828      1.27898  1.90252  0.339172  1.47047  0.416154  
1 1 1 46 37 22 o 2.07645  0.210096  4.74697      0.872506 4.19341      1.24492  5.28138      1.22319  1.78658  0.361039  2.10388  0.290699  
1 1 1 46 37 23 o 0.84152  0.337485  0.821936     0.864169 1.60552      1.22391  0.0429285    1.22034  1.03512  0.406072  0.760305 0.34923   
1 1 1 46 37 24 o 0.737688 0.317295  0.426864     0.845652 1.54108      1.20708  -0.647128    1.18509  1.00613  0.400571  0.663404 0.317342  
1 1 1 46 37 25 o 1.35978  0.355756  2.78833      0.978587 2.89855      1.45402  2.69707      1.32309  1.18603  0.44811   1.18244  0.43077   
1 1 1 46 37 26 o 0.613853 0.290901  -0.257279    0.960294 -0.710978    1.28379  0.319045     1.44692  0.636988 0.310541  0.753497 0.357078  
1 1 1 46 37 27 o 0.552582 0.26908   -0.702259    0.953671 -0.585983    1.31156  -0.832703    1.38917  0.634858 0.310365  0.629507 0.310039  
1 1 1 46 38 0  o 5.05625  0.118337  25.7406      1.1952   25.7406      1.1952   25.7406      1.1952   5.06492  0.0834815 ?        ?         
1 1 1 46 38 1  o 1.88057  0.145443  3.59229      0.547033 3.17768      0.784639 3.98441      0.763055 1.75026  0.224149  1.96884  0.193783  
1 1 1 46 38 2  o 2.40492  0.143864  5.87298      0.691963 5.96056      1.05566  5.807        0.916248 2.39859  0.220059  2.37715  0.19272   
1 1 1 46 38 3  o 3.3938   0.118311  11.6386      0.80305  12.4295      1.30172  11.1526      1.02035  3.48038  0.187009  3.31032  0.154117  
1 1 1 46 38 4  o 2.85604  0.160183  8.3143       0.914976 9.26254      1.36199  7.53436      1.23522  2.98568  0.228088  2.69219  0.229407  
1 1 1 46 38 5  o 0.754731 0.321165  0.121681     0.850256 -2.44983     1.29966  2.0458       1.12422  0.612817 0.301849  1.33524  0.394199  
1 1 1 46 38 6  o 1.56884  0.287653  2.68377      0.868899 1.01721      1.26665  4.16506      1.19417  1.06972  0.414435  1.97321  0.302596  
1 1 1 46 38 7  o 3.28975  0.142032  10.9898      0.934501 9.57069      1.31642  12.4314      1.32681  3.03944  0.216557  3.47759  0.190765  
1 1 1 46 38 8  o 3.33671  0.139569  11.3038      0.931403 10.3645      1.35823  12.1376      1.27968  3.16266  0.214729  3.43747  0.186137  
1 1 1 46 38 9  o 2.29243  0.192099  5.41803      0.880746 5.39123      1.22272  5.44694      1.26974  2.25349  0.271294  2.26039  0.280867  
1 1 1 46 38 10 o 1.02077  0.34183   1.12319      0.822123 2.098        1.16249  0.147829     1.16282  1.33762  0.402157  0.859232 0.370849  
1 1 1 46 38 11 o 2.95953  0.147999  8.92871      0.876018 9.16908      1.27402  8.71314      1.20649  2.96791  0.214632  2.89651  0.208266  
1 1 1 46 38 12 f 2.85346  0.151963  8.32664      0.867237 7.59685      1.22956  9.04911      1.22338  2.68845  0.228675  2.94682  0.207576  
1 1 1 46 38 13 o 2.61116  0.167865  7.02535      0.876645 6.31195      1.26148  7.69165      1.21913  2.42548  0.260048  2.70018  0.22575   
1 1 1 46 38 14 o 2.11844  0.209665  4.71844      0.888324 5.59422      1.22652  3.75221      1.28831  2.27034  0.270119  1.77348  0.374796  
1 1 1 46 38 15 o 1.96522  0.220734  4.09459      0.867583 2.42841      1.14923  6.30251      1.32292  1.40257  0.39369   2.40056  0.275545  
1 1 1 46 38 16 o 2.6719   0.162752  7.38578      0.869714 7.52725      1.20535  7.23213      1.25614  2.65545  0.226958  2.5914   0.242368  
1 1 1 46 38 17 o 1.86257  0.220164  3.71143      0.820141 3.91929      1.14402  3.49165      1.17637  1.85709  0.308013  1.69793  0.357635  
1 1 1 46 38 18 o 0.804667 0.326351  0.519931     0.82098  -0.985364    1.11046  2.33459      1.21924  0.64818  0.309371  1.32425  0.414672  
1 1 1 46 38 19 o 1.04872  0.352708  1.37274      0.875283 1.49582      1.22006  1.24221      1.25642  1.08128  0.409906  1.02549  0.408552  
1 1 1 46 38 20 o 1.76467  0.245491  3.47518      0.86642  3.95158      1.19113  2.93989      1.2626   1.77802  0.347349  1.45663  0.413879  
1 1 1 46 38 21 o 1.1604   0.335704  1.75331      0.823402 2.11343      1.17652  1.40758      1.15278  1.20528  0.408922  1.02409  0.395655  
1 1 1 46 38 22 o 1.34497  0.316614  2.33922      0.838515 2.82658      1.18837  1.85598      1.18333  1.37393  0.405184  1.10414  0.406879  
1 1 1 46 38 23 o 0.904963 0.342896  1.08454      0.853412 0.469732     1.17867  1.76201      1.23727  0.806846 0.359466  1.05735  0.40961   
1 1 1 46 38 24 o 0.93414  0.349455  1.31977      0.879226 3.11265      1.26383  -0.361758    1.22396  1.33202  0.422959  0.67907  0.324277  
1 1 1 46 38 25 o 0.846226 0.348798  1.10695      0.953357 -0.170751    1.39154  2.23718      1.30877  0.702867 0.338055  1.04331  0.41656   
1 1 1 46 38 26 o 0.455295 0.229095  -1.93974     0.931109 -1.39031     1.29675  -2.52448     1.33778  0.585773 0.290739  0.531087 0.267857  
1 1 1 46 39 0  o 0.385847 0.271196  -0.659112    0.756365 -0.659112    0.756365 -0.659112    0.756365 0.300207 0.214886  ?        ?         
1 1 1 46 39 1  o 3.47254  0.0885637 12.1306      0.615082 11.9549      0.8861   12.2939      0.854476 3.43587  0.128949  3.48636  0.122546  
1 1 1 46 39 2  o 2.71094  0.133384  7.44899      0.723191 7.02209      1.17413  7.70995      0.917994 2.59975  0.225816  2.74753  0.167058  
1 1 1 46 39 3  o 6.78276  0.0989352 46.3506      1.34211  44.5699      2.0639   47.6553      1.76664  6.61465  0.15601   6.85982  0.128767  
1 1 1 46 39 4  o 3.88808  0.131342  15.3176      1.02134  15.281       1.54251  15.3462      1.36289  3.85008  0.200321  3.87153  0.176015  
1 1 1 46 39 5  f 4.08975  0.114014  16.8959      0.932576 17.1083      1.33034  16.6907      1.30768  4.09419  0.162466  4.04432  0.161669  
1 1 1 46 39 6  o 1.11653  0.327352  1.38973      0.77787  0.188079     1.09309  2.62259      1.10719  0.848831 0.362767  1.51021  0.369168  
1 1 1 46 39 7  o 3.16319  0.134514  10.1615      0.850984 10.3133      1.20423  10.01        1.20272  3.16268  0.190381  3.11449  0.193084  
1 1 1 46 39 8  o 3.55103  0.131632  12.8016      0.93486  14.2036      1.3482   11.5031      1.29744  3.71556  0.181427  3.3368   0.194414  
1 1 1 46 39 9  o 1.95627  0.214797  3.98314      0.840406 4.41471      1.16075  3.50766      1.21837  2.02878  0.286071  1.75043  0.360357  
1 1 1 46 39 10 o 1.11502  0.334389  1.40772      0.804397 0.961512     1.15515  1.82778      1.1208   1.02039  0.395682  1.25018  0.398443  
1 1 1 46 39 11 o 2.14249  0.192286  4.767        0.82394  5.34964      1.1774   4.20786      1.15342  2.2339   0.263532  1.96545  0.293424  
1 1 1 46 39 12 o 1.35576  0.304792  2.0954       0.806312 2.79493      1.15216  1.42396      1.12879  1.52499  0.378949  1.11941  0.398858  
1 1 1 46 39 13 o 1.08006  0.346419  1.35115      0.846241 0.247548     1.20241  2.43427      1.1912   0.868142 0.375932  1.40225  0.403165  
1 1 1 46 39 14 o 1.8747   0.227181  3.74092      0.85179  3.27695      1.19939  4.21307      1.20991  1.64863  0.372499  1.93795  0.312162  
1 1 1 46 39 15 o 2.23076  0.199142  5.23806      0.888476 5.85358      1.19682  4.48239      1.32609  2.31874  0.258076  1.94333  0.354321  
1 1 1 46 39 16 o 1.29906  0.319512  2.00523      0.825487 2.27787      1.12857  1.69154      1.21057  1.33751  0.394989  1.16351  0.413206  
1 1 1 46 39 17 o 0.916051 0.339359  0.918139     0.825144 -0.128711    1.13659  2.08473      1.19984  0.765214 0.346422  1.25424  0.412955  
1 1 1 46 39 18 o 0.681849 0.302548  -0.00436936  0.825909 -0.980158    1.14137  1.06816      1.19661  0.651982 0.311772  0.982591 0.395854  
1 1 1 46 39 19 o 0.713123 0.308771  0.191579     0.811002 -0.0785983   1.15936  0.450471     1.13489  0.765016 0.347605  0.844885 0.365534  
1 1 1 46 39 20 o 1.31928  0.319293  2.19514      0.834611 2.30569      1.18735  2.08718      1.17341  1.2607   0.410801  1.20181  0.408381  
1 1 1 46 39 21 o 2.02177  0.208916  4.54418      0.844763 3.7662       1.1932   5.32601      1.19615  1.65804  0.369402  2.10115  0.284643  
1 1 1 46 39 22 o 1.5436   0.2925    2.98664      0.870228 3.81332      1.23353  2.16752      1.22787  1.63035  0.38416   1.16084  0.415756  
1 1 1 46 39 23 o 1.20711  0.359955  2.18217      0.933885 0.602302     1.25129  4.16872      1.40314  0.811836 0.365717  1.58191  0.431608  
1 1 1 46 39 24 o 0.83577  0.341185  1.03188      0.903481 0.664895     1.29073  1.38444      1.26509  0.788465 0.360904  0.895805 0.386726  
1 1 1 46 39 25 o 0.675246 0.311635  0.149889     0.98561  1.28245      1.40587  -0.944787    1.38216  0.86919  0.389762  0.639695 0.314338  
1 1 1 46 39 26 o 0.858623 0.35272   1.46789      0.971672 1.28049      1.30915  1.69776      1.44991  0.786223 0.361378  0.828117 0.380498  
1 1 1 46 40 0  o 0.689719 0.393216  0.698302     0.836555 0.698302     0.836555 0.698302     0.836555 0.671347 0.346706  ?        ?         
1 1 1 46 40 1  o 2.20398  0.130811  4.92629      0.576612 4.82578      0.797887 5.03617      0.834231 2.16665  0.184129  2.2119   0.188578  
1 1 1 46 40 2  o 4.09191  0.106201  16.9018      0.869127 14.5994      1.38085  18.4123      1.11847  3.76845  0.183212  4.26041  0.131263  
1 1 1 46 40 3  o 5.36004  0.114021  29.0493      1.22231  30.2401      1.71876  27.8307      1.73863  5.44159  0.157928  5.21411  0.166723  
1 1 1 46 40 4  o 3.45437  0.131856  12.1139      0.910956 12.5242      1.27414  11.6849      1.30292  3.48868  0.18261   3.36384  0.193665  
1 1 1 46 40 5  o 2.60281  0.159926  6.92663      0.832515 7.15306      1.2078   6.72166      1.1491   2.6141   0.231016  2.53623  0.226537  
1 1 1 46 40 6  o 4.44156  0.112857  19.949       1.00252  18.6789      1.36211  21.4503      1.48089  4.27426  0.159339  4.57888  0.161708  
1 1 1 46 40 7  o 2.29123  0.185328  5.41242      0.84926  4.89626      1.18537  5.9568       1.21734  2.13978  0.276984  2.37104  0.256709  
1 1 1 46 40 8  o 2.13223  0.202249  4.72578      0.862482 5.82298      1.27054  3.78806      1.17457  2.3313   0.272496  1.8303   0.333194  
1 1 1 46 40 9  o 1.49491  0.285881  2.48545      0.824208 2.38452      1.16809  2.58553      1.16314  1.40751  0.397501  1.46958  0.389415  
1 1 1 46 40 10 o 2.48729  0.170643  6.386        0.84888  7.20532      1.21062  5.59352      1.19062  2.60739  0.232152  2.28035  0.261062  
1 1 1 46 40 11 o 1.12599  0.335378  1.47411      0.81103  1.7562       1.127    1.17109      1.16804  1.20878  0.400224  1.05508  0.40075   
1 1 1 46 40 12 o 0.832191 0.328598  0.575408     0.806133 1.11739      1.12027  -0.00659276  1.1609   1.03159  0.392282  0.812357 0.359797  
1 1 1 46 40 13 o 2.30452  0.190288  5.55549      0.877045 5.29831      1.2625   5.79536      1.21929  2.18849  0.288441  2.30668  0.264294  
1 1 1 46 40 14 o 2.69086  0.173426  7.53701      0.933331 8.71076      1.28242  6.21514      1.36093  2.85469  0.224616  2.3628   0.287992  
1 1 1 46 40 15 o 0.864926 0.342249  0.686371     0.876219 1.12336      1.17632  0.141693     1.31329  1.01815  0.398367  0.859494 0.381424  
1 1 1 46 40 16 o 1.16277  0.336226  1.66051      0.826163 0.672779     1.14752  2.72344      1.1904   0.905293 0.378551  1.43996  0.399547  
1 1 1 46 40 17 o 0.848808 0.32832   0.741502     0.79428  1.00736      1.14064  0.491227     1.1067   0.962928 0.387083  0.851514 0.364501  
1 1 1 46 40 18 o 1.57843  0.262131  2.82099      0.827509 2.96494      1.1662   2.67501      1.1744   1.49255  0.387377  1.40174  0.399442  
1 1 1 46 40 19 o 1.64874  0.255028  3.10724      0.840949 2.67718      1.19071  3.53525      1.18786  1.36923  0.406072  1.62856  0.372597  
1 1 1 46 40 20 o 0.65274  0.294002  -0.00940388  0.808357 -0.750821    1.14886  0.717563     1.1376   0.654048 0.312767  0.85785  0.368462  
1 1 1 46 40 21 o 1.13691  0.344617  1.79806      0.851305 2.77837      1.18747  0.761465     1.22108  1.34319  0.406984  0.862635 0.376236  
1 1 1 46 40 22 o 0.997855 0.352324  1.46186      0.878973 1.99347      1.20349  0.854102     1.2868   1.09126  0.408727  0.862029 0.380682  
1 1 1 46 40 23 o 0.682422 0.308431  0.262185     0.897283 0.791839     1.23104  -0.338142    1.3106   0.80635  0.363023  0.683867 0.328712  
1 1 1 46 40 24 o 0.744568 0.325028  0.623738     0.912986 0.435997     1.27849  0.81911      1.30421  0.754149 0.350671  0.805126 0.366589  
1 1 1 46 40 25 o 1.07917  0.375713  2.23698      0.996519 3.39235      1.39774  1.0426       1.42114  1.1719   0.440171  0.781042 0.3656    
1 1 1 46 41 0  o 0.532163 0.345852  0.0689845    0.854942 0.0689845    0.854942 0.0689845    0.854942 0.456385 0.294508  ?        ?         
1 1 1 46 41 1  o 1.31856  0.209211  1.80581      0.551714 2.14332      0.74877  1.40493      0.816048 1.39657  0.277938  1.11792  0.337114  
1 1 1 46 41 2  o 3.10715  0.12365   9.78493      0.768396 9.04732      1.17848  10.3304      1.01345  2.95622  0.199322  3.17845  0.159425  
1 1 1 46 41 3  o 1.07659  0.339259  1.29164      0.814383 0.544962     1.09727  2.20737      1.21515  0.917508 0.375517  1.36486  0.41133   
1 1 1 46 41 4  o 2.30287  0.194799  5.48969      0.897193 5.95257      1.16707  4.82088      1.40286  2.37424  0.245778  2.08924  0.335735  
1 1 1 46 41 5  o 2.58312  0.167039  6.85215      0.862965 7.31525      1.17618  6.31219      1.27004  2.64245  0.222555  2.43399  0.260898  
1 1 1 46 41 6  o 2.51292  0.180354  6.52339      0.90643  6.82924      1.23047  6.1605       1.34033  2.53921  0.242294  2.38907  0.280513  
1 1 1 46 41 7  o 1.81493  0.232272  3.48259      0.843112 2.54117      1.20765  4.37774      1.1776   1.44713  0.402723  2.00262  0.294016  
1 1 1 46 41 8  f 2.43586  0.180731  6.15032      0.88047  7.84863      1.26089  4.53409      1.23003  2.72061  0.231728  2.02701  0.30341   
1 1 1 46 41 9  o 3.07659  0.155672  9.73387      0.957874 9.71862      1.31494  9.75111      1.39817  3.03524  0.216612  3.0297   0.230744  
1 1 1 46 41 10 o 2.48235  0.182918  6.414        0.908135 5.74544      1.24374  7.17747      1.32909  2.29672  0.270765  2.57685  0.257891  
1 1 1 46 41 11 o 0.670216 0.300162  -0.174847    0.831478 -0.544318    1.10501  0.307384     1.26242  0.713248 0.329478  0.889898 0.385274  
1 1 1 46 41 12 o 2.05425  0.215871  4.47864      0.886907 4.98892      1.19154  3.8447       1.32809  2.12604  0.280226  1.7713   0.385629  
1 1 1 46 41 13 o 2.38246  0.193568  5.97767      0.922335 6.56401      1.31107  5.40315      1.29779  2.44025  0.268634  2.19232  0.295985  
1 1 1 46 41 14 o 2.25963  0.205345  5.43868      0.928007 4.79899      1.34123  6.02619      1.28536  2.02567  0.331057  2.32106  0.27689   
1 1 1 46 41 15 o 1.27714  0.321852  1.98267      0.822352 1.86989      1.18541  2.08729      1.14178  1.18803  0.410144  1.25379  0.402414  
1 1 1 46 41 16 o 0.813174 0.325575  0.60793      0.802353 0.0522775    1.10808  1.22038      1.16333  0.774945 0.346802  1.01191  0.396113  
1 1 1 46 41 17 o 1.43091  0.292301  2.43874      0.807594 2.92469      1.14298  1.95426      1.14124  1.48598  0.382426  1.19443  0.402745  
1 1 1 46 41 18 o 2.08172  0.205081  4.73874      0.853842 4.36719      1.2062   5.1119       1.20883  1.85722  0.337162  2.07355  0.291487  
1 1 1 46 41 19 o 0.841286 0.330914  0.819039     0.814614 1.15227      1.15064  0.484178     1.15344  0.945255 0.385317  0.819715 0.36141   
1 1 1 46 41 20 o 0.873996 0.336977  0.969159     0.835309 1.63054      1.14143  0.206532     1.22568  1.03947  0.395768  0.778903 0.354845  
1 1 1 46 41 21 o 0.871388 0.337013  1.00719      0.836844 0.952745     1.17742  1.06277      1.18962  0.875527 0.375413  0.896416 0.380626  
1 1 1 46 41 22 o 0.57187  0.27293   -0.453936    0.863894 -0.310974    1.22812  -0.593962    1.21544  0.674509 0.322749  0.644087 0.311215  
1 1 1 46 41 23 o 0.782271 0.333696  0.817967     0.921865 0.822041     1.34558  0.814363     1.26553  0.804937 0.368465  0.799624 0.363288  
1 1 1 46 41 24 o 0.83149  0.343778  1.14715      0.929888 0.24148      1.28269  2.15037      1.35001  0.706219 0.335396  0.971303 0.408593  
1 1 1 46 42 0  o 0.491017 0.329221  -0.173916    0.873747 -0.173916    0.873747 -0.173916    0.873747 0.407107 0.27414   ?        ?         
1 1 1 46 42 1  o 2.95869  0.107402  8.85805      0.635538 7.96023      0.837905 10.0742      0.975213 2.78928  0.150201  3.13532  0.155521  
1 1 1 46 42 2  f 2.53142  0.146356  6.55117      0.740975 8.14418      1.19766  5.56326      0.943152 2.78782  0.214802  2.3092   0.204216  
1 1 1 46 42 3  o 1.6715   0.267597  3.00606      0.894574 2.18053      1.17279  4.15465      1.38337  1.34305  0.403963  1.87592  0.381973  
1 1 1 46 42 4  o 2.36018  0.199304  5.8109       0.940786 6.03219      1.24645  5.51795      1.43416  2.36849  0.263131  2.22681  0.322021  
1 1 1 46 42 5  o 1.95641  0.220626  4.03657      0.863269 4.25275      1.19819  3.80324      1.24484  1.96163  0.305406  1.80337  0.357863  
1 1 1 46 42 6  o 2.11893  0.207361  4.71279      0.878764 5.67179      1.22478  3.69535      1.26155  2.28864  0.267579  1.76517  0.369287  
1 1 1 46 42 7  o 1.57752  0.281404  2.78397      0.855906 2.8103       1.19994  2.7567       1.22121  1.51497  0.392822  1.49515  0.400311  
1 1 1 46 42 8  o 2.85779  0.170892  8.45962      0.976745 10.3014      1.32321  6.25459      1.44784  3.12505  0.211711  2.36929  0.305543  
1 1 1 46 42 9  o 0.921317 0.35218   0.826602     0.90681  0.438866     1.30758  1.18587      1.25866  0.922948 0.395679  1.06231  0.412804  
1 1 1 46 42 10 o 2.45083  0.186364  6.27822      0.913493 6.12313      1.28109  6.43865      1.30294  2.36363  0.271     2.42565  0.268575  
1 1 1 46 42 11 o 0.581376 0.274321  -0.753825    0.843785 -2.08297     1.15795  0.750979     1.23209  0.572575 0.281983  0.956223 0.395555  
1 1 1 46 42 12 o 1.50434  0.294975  2.61495      0.855847 1.96422      1.21156  3.26307      1.20914  1.23432  0.414968  1.61684  0.379936  
1 1 1 46 42 13 o 0.927366 0.344047  0.944449     0.848711 -0.0319395   1.28135  1.70763      1.13284  0.818676 0.36937   1.15482  0.400728  
1 1 1 46 42 14 o 0.75876  0.319349  0.353511     0.825391 0.301202     1.19752  0.400851     1.13922  0.8409   0.369617  0.844919 0.365899  
1 1 1 46 42 15 o 3.59634  0.136943  13.388       0.984988 12.2259      1.44945  14.3852      1.34264  3.3538   0.216091  3.6805   0.182399  
1 1 1 46 42 16 o 0.669287 0.299155  -0.0419808   0.8223   -0.803599    1.15463  0.741872     1.17136  0.670157 0.318243  0.903294 0.380321  
1 1 1 46 42 17 f 0.757483 0.321153  0.412894     0.84483  1.24559      1.17004  -0.494133    1.22114  0.985908 0.393794  0.711086 0.333933  
1 1 1 46 42 18 o 0.567478 0.267473  -0.521485    0.797999 -0.406389    1.12277  -0.638979    1.1344   0.684414 0.321188  0.661034 0.314637  
1 1 1 46 42 19 o 1.70942  0.247481  3.41536      0.846099 2.70083      1.14063  4.28952      1.26163  1.33799  0.39757   1.75527  0.370854  
1 1 1 46 42 20 o 1.28678  0.32607   2.25077      0.840575 1.93709      1.15421  2.60503      1.2266   1.09481  0.401997  1.25479  0.417535  
1 1 1 46 42 21 o 0.665671 0.301031  0.196008     0.855948 -0.0510299   1.2073   0.445676     1.21371  0.699498 0.329492  0.761879 0.349251  
1 1 1 46 42 22 o 0.703871 0.311562  0.454046     0.868748 -0.284001    1.22438  1.20235      1.23286  0.664783 0.319095  0.85603  0.375656  
1 1 1 46 42 23 o 0.803704 0.337104  0.977416     0.914495 0.437643     1.29393  1.51612      1.29265  0.738406 0.346216  0.886806 0.386938  
1 1 1 46 43 0  o 3.23013  0.155742  10.6525      1.0008   10.6525      1.0008   10.6525      1.0008   3.2471   0.109251  ?        ?         
1 1 1 46 43 1  o 1.69098  0.185748  2.97489      0.628189 3.60581      0.854396 2.2325       0.926802 1.84179  0.231948  1.37995  0.338026  
1 1 1 46 43 2  o 3.9414   0.105883  15.7401      0.834656 15.9098      1.25641  15.606       1.11667  3.92999  0.159849  3.90367  0.143029  
1 1 1 46 43 3  o 0.975768 0.340813  1.04139      0.820547 2.21056      1.12618  -0.281635    1.198    1.34326  0.3939    0.782909 0.354982  
1 1 1 46 43 4  f 3.47391  0.1448    12.3758      1.00604  13.2911      1.40058  11.4002      1.44603  3.5634   0.196523  3.28143  0.220336  
1 1 1 46 43 5  o 1.00059  0.338438  1.12525      0.805889 0.739374     1.12419  1.53319      1.15587  0.943833 0.382261  1.14202  0.403945  
1 1 1 46 43 6  o 1.0109   0.337993  1.15909      0.803773 0.808376     1.11315  1.54114      1.16183  0.955987 0.383179  1.14268  0.404903  
1 1 1 46 43 7  o 1.5149   0.280313  2.58141      0.817337 3.24357      1.14801  1.90075      1.16394  1.64799  0.358315  1.23992  0.40673   
1 1 1 46 43 8  o 1.16518  0.332363  1.60742      0.812686 1.59287      1.14724  1.62207      1.15139  1.14913  0.402833  1.15731  0.403764  
1 1 1 46 43 9  o 1.25136  0.329929  1.86463      0.837565 2.32496      1.19341  1.41781      1.17578  1.34995  0.407794  1.09931  0.405526  
1 1 1 46 43 10 o 1.61293  0.259571  2.85998      0.837337 4.43281      1.21111  1.41968      1.15896  1.97344  0.306852  1.09151  0.402621  
1 1 1 46 43 11 o 1.32159  0.322974  2.09879      0.847616 2.38671      1.23088  1.83912      1.16894  1.34196  0.415934  1.19369  0.407603  
1 1 1 46 43 12 o 1.51994  0.281785  2.67295      0.824445 2.41076      1.14615  2.95407      1.1868   1.35085  0.397776  1.50612  0.390729  
1 1 1 46 43 13 o 0.838157 0.332967  0.676666     0.832353 0.791281     1.24674  0.584499     1.11801  0.932917 0.392559  0.871675 0.369499  
1 1 1 46 43 14 o 2.48043  0.184072  6.54918      0.913155 6.31792      1.3893   6.72507      1.21164  2.32476  0.298806  2.45567  0.246703  
1 1 1 46 43 15 o 2.55527  0.181019  6.96304      0.925106 8.79942      1.31345  5.1552       1.3032   2.81482  0.23331   2.07186  0.314501  
1 1 1 46 43 16 o 1.14994  0.341439  1.74965      0.841503 0.893438     1.16829  2.6728       1.2131   0.907958 0.380936  1.34753  0.411964  
1 1 1 46 43 17 o 0.867273 0.336747  0.917808     0.837241 2.25976      1.12     -0.781922    1.26049  1.22629  0.398979  0.67814  0.325084  
1 1 1 46 43 18 o 1.42069  0.294969  2.54846      0.810132 1.53205      1.12494  3.64351      1.16765  1.01539  0.391148  1.61323  0.369637  
1 1 1 46 43 19 o 0.711679 0.308216  0.369345     0.808438 -0.554828    1.12021  1.37386      1.16789  0.6508   0.310646  0.958201 0.388997  
1 1 1 46 43 20 o 0.802707 0.329673  0.861688     0.848646 0.413038     1.16399  1.37079      1.23994  0.75185  0.343554  0.907921 0.387141  
1 1 1 46 43 21 o 0.704017 0.309835  0.475486     0.84361  0.777174     1.19457  0.175331     1.19153  0.787732 0.355959  0.707798 0.33193   
1 1 1 46 43 22 o 0.547739 0.263912  -0.553548    0.857419 -0.79164     1.24358  -0.337805    1.18378  0.616738 0.301671  0.645353 0.310736  
1 1 1 46 43 23 o 0.973071 0.36697   1.93039      0.97363  2.68868      1.34688  1.10046      1.40906  1.00093  0.413782  0.761809 0.358     
1 1 1 46 44 0  o 0.545558 0.350594  0.182604     0.843383 0.182604     0.843383 0.182604     0.843383 0.479301 0.301958  ?        ?         
1 1 1 46 44 1  o 0.850382 0.294261  0.764667     0.610488 1.29291      0.871671 0.256095     0.855284 1.05774  0.35198   0.766171 0.323898  
1 1 1 46 44 2  o 4.27239  0.112824  18.5456      0.964059 19.2814      1.48989  18.0156      1.26445  4.31057  0.172818  4.18463  0.151083  
1 1 1 46 44 3  o 1.88259  0.225971  3.77447      0.850821 3.83293      1.25386  3.72458      1.1583   1.79284  0.362361  1.78626  0.336556  
1 1 1 46 44 4  o 1.60387  0.288891  2.91077      0.89288  3.55311      1.33721  2.39396      1.19944  1.69012  0.401094  1.37891  0.407199  
1 1 1 46 44 5  o 3.67314  0.127011  13.7797      0.933061 12.4751      1.2994   15.1684      1.34066  3.45178  0.188222  3.81732  0.175602  
1 1 1 46 44 6  o 1.32299  0.317812  2.05669      0.831657 2.78439      1.1692   1.31146      1.1832   1.49447  0.387876  1.07488  0.404738  
1 1 1 46 44 7  o 1.21879  0.332468  1.77987      0.832669 1.94315      1.18431  1.62026      1.17094  1.23639  0.410275  1.14799  0.406518  
1 1 1 46 44 8  o 1.47093  0.295201  2.50422      0.837847 1.83346      1.18738  3.16938      1.18242  1.19907  0.410806  1.59523  0.376267  
1 1 1 46 44 9  o 2.3776   0.187007  5.96381      0.889258 7.26103      1.31845  4.88117      1.20447  2.5642   0.257087  2.07575  0.290129  
1 1 1 46 44 10 o 2.2909   0.188683  5.56087      0.864507 5.6188       1.28568  5.51307      1.16797  2.21857  0.289754  2.22218  0.262799  
1 1 1 46 44 11 o 0.76391  0.318408  0.401778     0.807847 -0.593945    1.17206  1.30293      1.11501  0.704746 0.330267  1.03151  0.39162   
1 1 1 46 44 12 o 2.94161  0.15728   9.05416      0.925315 9.51957      1.3488   8.6404       1.27178  2.9449   0.229006  2.80843  0.226421  
1 1 1 46 44 13 o 1.47163  0.308915  2.62429      0.880243 1.82843      1.34541  3.21991      1.16392  1.14703  0.431652  1.56949  0.375313  
1 1 1 46 44 14 o 0.711958 0.311143  0.183855     0.838594 0.478934     1.23193  -0.0709424   1.14476  0.854484 0.375243  0.751589 0.342544  
1 1 1 46 44 15 o 1.08309  0.340508  1.56494      0.821029 1.20932      1.15564  1.92736      1.16666  0.966538 0.389171  1.14041  0.405578  
1 1 1 46 44 16 o 0.912718 0.337747  1.08599      0.816869 2.05305      1.12713  0.0161391    1.18553  1.15979  0.39998   0.749361 0.344207  
1 1 1 46 44 17 o 1.35168  0.313274  2.38153      0.831043 2.63851      1.14218  2.09245      1.21142  1.31515  0.399278  1.14355  0.412624  
1 1 1 46 44 18 o 2.08021  0.207855  4.90904      0.864766 3.87478      1.17402  6.13576      1.27859  1.64409  0.366507  2.20789  0.289551  
1 1 1 46 44 19 o 1.18412  0.334532  2.07582      0.827178 3.50976      1.15114  0.544939     1.18941  1.48417  0.384712  0.77209  0.351155  
1 1 1 46 44 20 o 0.553566 0.265886  -0.524833    0.85359  -0.81922     1.20384  -0.227179    1.2105   0.611302 0.298503  0.667436 0.31962   
1 1 1 46 44 21 o 0.651278 0.296341  0.204209     0.849151 1.32417      1.21882  -0.852171    1.18371  0.866511 0.376902  0.600814 0.293985  
1 1 1 46 44 22 o 0.609135 0.286068  0.0775331    0.896522 0.421285     1.29013  -0.243485    1.24674  0.68996  0.3303    0.625432 0.305108  
1 1 1 46 45 0  o 0.784102 0.416039  1.02321      0.868753 1.02321      0.868753 1.02321      0.868753 0.815261 0.360536  ?        ?         
1 1 1 46 45 1  o 1.6056   0.193002  2.71158      0.619769 3.29532      0.877896 2.13157      0.875082 1.73976  0.252303  1.33884  0.32877   
1 1 1 46 45 2  o 0.694515 0.302707  0.0555095    0.789339 0.485392     1.11944  -0.369577    1.11318  0.878571 0.370943  0.733776 0.335576  
1 1 1 46 45 3  o 1.25675  0.322884  1.87809      0.815802 1.53822      1.15103  2.22115      1.15642  1.12549  0.402593  1.31895  0.402026  
1 1 1 46 45 4  o 0.936215 0.350783  0.93274      0.886612 -1.04182     1.24749  2.94816      1.26033  0.692602 0.329797  1.51335  0.407347  
1 1 1 46 45 5  o 2.63728  0.166474  7.24623      0.878079 7.99148      1.26367  6.55044      1.22101  2.71864  0.232408  2.44741  0.249451  
1 1 1 46 45 6  o 2.0692   0.206859  4.56682      0.856065 5.23836      1.24211  3.95925      1.18148  2.15328  0.288424  1.81858  0.337484  
1 1 1 46 45 7  o 0.670458 0.298243  -0.0658917   0.808575 0.408742     1.16283  -0.510217    1.1251   0.860195 0.371053  0.708853 0.329359  
1 1 1 46 45 8  o 1.28588  0.32547   2.01859      0.838203 2.39548      1.23167  1.69346      1.14397  1.32832  0.416948  1.14098  0.402034  
1 1 1 46 45 9  o 2.3658   0.189362  5.96146      0.895988 6.20768      1.28151  5.72599      1.2532   2.33688  0.274193  2.23873  0.27989   
1 1 1 46 45 10 o 0.943511 0.337612  1.05371      0.809508 1.12055      1.16854  0.992031     1.12248  0.989012 0.394009  0.955655 0.384061  
1 1 1 46 45 11 o 0.920365 0.337685  0.987221     0.814311 -0.123182    1.16978  2.03121      1.13426  0.761531 0.346858  1.21903  0.401511  
1 1 1 46 45 12 o 0.599391 0.280639  -0.490943    0.839258 0.76136      1.25077  -1.51652     1.13189  0.912379 0.388928  0.591004 0.288786  
1 1 1 46 45 13 o 0.928109 0.341516  1.07217      0.833413 0.870411     1.20786  1.2555       1.15141  0.910262 0.384868  0.985727 0.391609  
1 1 1 46 45 14 o 2.08075  0.221471  4.8652       0.921651 6.02563      1.29001  3.65525      1.31724  2.23169  0.28902   1.57318  0.413287  
1 1 1 46 45 15 o 1.4722   0.287846  2.69638      0.817304 3.86886      1.18597  1.6359       1.1279   1.67567  0.364067  1.04505  0.394722  
1 1 1 46 45 16 o 0.565574 0.266405  -0.469193    0.789198 -1.28415     1.12524  0.319789     1.10717  0.588084 0.287493  0.769938 0.345556  
1 1 1 46 45 17 o 0.530208 0.25491   -0.67745     0.789262 -0.615468    1.0844   -0.747273    1.15094  0.628347 0.301289  0.631367 0.304588  
1 1 1 46 45 18 o 1.04243  0.351699  1.72109      0.870283 0.436892     1.19949  3.14853      1.26462  0.755964 0.346816  1.30775  0.423888  
1 1 1 46 45 19 o 1.36992  0.324951  2.73155      0.87802  2.96758      1.25627  2.50615      1.22764  1.23163  0.422511  1.12482  0.414436  
1 1 1 46 45 20 o 0.561726 0.268129  -0.385701    0.834565 -0.0455677   1.18826  -0.716818    1.17241  0.676645 0.322044  0.60939  0.297029  
1 1 1 46 45 21 o 0.671218 0.302833  0.512697     0.861243 -0.910744    1.23671  1.85304      1.20007  0.574159 0.284815  0.88589  0.379403  
1 1 1 46 46 0  o 0.762262 0.495755  0.579613     1.76048  0.579613     1.76048  0.579613     1.76048  0.69367  0.436715  ?        ?         
1 1 1 46 46 1  o 0.608646 0.39136   0.303899     1.0532   0.303899     1.0532   0.303899     1.0532   0.544057 0.340651  ?        ?         
1 1 1 46 46 2  o 0.458544 0.323638  -0.866379    1.10034  -0.866379    1.10034  -0.866379    1.10034  0.363103 0.259745  ?        ?         
1 1 1 46 46 3  o 3.48255  0.185589  12.5669      1.28426  12.5669      1.28426  12.5669      1.28426  3.51385  0.129619  ?        ?         
1 1 1 46 46 4  o 1.43952  0.49388   3.03241      1.27571  3.03241      1.27571  3.03241      1.27571  1.60642  0.315842  ?        ?         
1 1 1 46 46 5  o 2.50201  0.252269  6.77776      1.23294  6.77776      1.23294  6.77776      1.23294  2.55414  0.172473  ?        ?         
1 1 1 46 46 6  o 1.31526  0.491033  2.65205      1.19866  2.65205      1.19866  2.65205      1.19866  1.48101  0.327689  ?        ?         
1 1 1 46 46 7  o 3.19568  0.212432  10.7633      1.34396  10.7633      1.34396  10.7633      1.34396  3.23892  0.147399  ?        ?         
1 1 1 46 46 8  o 1.04018  0.500912  1.93435      1.198    1.93435      1.198    1.93435      1.198    1.16312  0.404069  ?        ?         
1 1 1 46 46 9  o 1.01088  0.499945  1.8599       1.20389  1.8599       1.20389  1.8599       1.20389  1.12399  0.411683  ?        ?         
1 1 1 46 46 10 f 2.31133  0.352372  6.28153      1.51522  6.28153      1.51522  6.28153      1.51522  2.41625  0.226273  ?        ?         
1 1 1 46 46 11 o 0.38238  0.28032   -1.93138     1.15293  -1.93138     1.15293  -1.93138     1.15293  0.29175  0.215884  ?        ?         
1 1 1 46 46 12 o 0.414558 0.300408  -1.63915     1.21724  -1.63915     1.21724  -1.63915     1.21724  0.321027 0.235975  ?        ?         
1 1 1 46 46 13 o 0.403279 0.2923    -1.54973     1.15436  -1.54973     1.15436  -1.54973     1.15436  0.312615 0.229792  ?        ?         
1 1 1 46 46 14 o 0.565588 0.378767  0.113714     1.14988  0.113714     1.14988  0.113714     1.14988  0.499079 0.329409  ?        ?         
1 1 1 46 46 15 o 1.02747  0.485672  2.0072       1.12103  2.0072       1.12103  2.0072       1.12103  1.18709  0.379946  ?        ?         
1 1 1 46 46 16 o 0.474474 0.33208   -0.440118    1.11051  -0.440118    1.11051  -0.440118    1.11051  0.397177 0.278341  ?        ?         
1 1 1 46 46 17 o 0.376097 0.276006  -1.73019     1.14053  -1.73019     1.14053  -1.73019     1.14053  0.293191 0.21713   ?        ?         
1 1 1 46 46 18 o 1.27042  0.516532  3.07565      1.28159  3.07565      1.28159  3.07565      1.28159  1.53277  0.338422  ?        ?         
1 1 1 46 46 19 o 0.624328 0.407914  0.707233     1.20817  0.707233     1.20817  0.707233     1.20817  0.606344 0.372652  ?        ?         
1 1 1 46 46 20 o 0.412421 0.298627  -1.05117     1.18337  -1.05117     1.18337  -1.05117     1.18337  0.33732  0.245418  ?        ?         
1 1 1 47 0  0  o 29.5993  0.395617  879.39       23.4105  879.39       23.4105  879.39       23.4105  29.6266  0.279428  ?        ?         
1 1 1 47 0  1  o 26.2307  0.259101  689.201      13.5898  689.201      13.5898  689.201      13.5898  26.2416  0.183116  ?        ?         
1 1 1 47 0  2  o 0.511651 0.337492  -0.109325    0.851676 -0.109325    0.851676 -0.109325    0.851676 0.423399 0.280977  ?        ?         
1 1 1 47 0  3  o 20.7188  0.207464  429.8        8.59488  429.8        8.59488  429.8        8.59488  20.7252  0.146638  ?        ?         
1 1 1 47 0  4  o 5.14044  0.10824   26.4662      1.11169  26.4662      1.11169  26.4662      1.11169  5.14248  0.0764681 ?        ?         
1 1 1 47 0  5  o 1.40112  0.323515  2.25337      0.787908 2.25337      0.787908 2.25337      0.787908 1.46127  0.198807  ?        ?         
1 1 1 47 0  6  o 10.5598  0.116636  111.587      2.46263  111.587      2.46263  111.587      2.46263  10.5616  0.0824486 ?        ?         
1 1 1 47 0  7  o 4.05632  0.104131  16.4909      0.84352  16.4909      0.84352  16.4909      0.84352  4.05862  0.073535  ?        ?         
1 1 1 47 0  8  o 8.41393  0.1059    70.8497      1.78144  70.8497      1.78144  70.8497      1.78144  8.41558  0.0748547 ?        ?         
1 1 1 47 0  9  o 1.50189  0.265438  2.46048      0.722965 2.46048      0.722965 2.46048      0.722965 1.54021  0.170741  ?        ?         
1 1 1 47 0  10 o 3.45787  0.132263  12.0159      0.911659 12.0159      0.911659 12.0159      0.911659 3.46215  0.0932513 ?        ?         
1 1 1 47 0  11 o 5.93646  0.114442  35.2967      1.35762  35.2967      1.35762  35.2967      1.35762  5.93878  0.0808572 ?        ?         
1 1 1 47 0  12 o 5.62288  0.113071  31.6707      1.27041  31.6707      1.27041  31.6707      1.27041  5.62527  0.0798828 ?        ?         
1 1 1 47 0  13 o 4.16289  0.116334  17.3805      0.966864 17.3805      0.966864 17.3805      0.966864 4.16595  0.0821273 ?        ?         
1 1 1 47 0  14 o 11.362   0.132293  129.264      3.0053   129.264      3.0053   129.264      3.0053   11.3657  0.0935    ?        ?         
1 1 1 47 0  15 o 6.85921  0.116991  47.1257      1.60388  47.1257      1.60388  47.1257      1.60388  6.86202  0.0826641 ?        ?         
1 1 1 47 0  16 f 0.448038 0.304217  -0.341645    0.785822 -0.341645    0.785822 -0.341645    0.785822 0.358507 0.247175  ?        ?         
1 1 1 47 0  17 o 2.66235  0.163544  7.18113      0.863296 7.18113      0.863296 7.18113      0.863296 2.67117  0.114747  ?        ?         
1 1 1 47 0  18 o 10.1357  0.129673  102.917      2.62769  102.917      2.62769  102.917      2.62769  10.1402  0.0916348 ?        ?         
1 1 1 47 0  19 o 1.65037  0.278735  2.96099      0.841208 2.96099      0.841208 2.96099      0.841208 1.69008  0.180698  ?        ?         
1 1 1 47 0  20 o 0.883142 0.418965  1.16535      0.834987 1.16535      0.834987 1.16535      0.834987 0.929003 0.343818  ?        ?         
1 1 1 47 0  21 o 2.33986  0.194074  5.60872      0.893836 5.60872      0.893836 5.60872      0.893836 2.35442  0.135244  ?        ?         
1 1 1 47 0  22 o 4.40524  0.126572  19.4927      1.11308  19.4927      1.11308  19.4927      1.11308  4.41017  0.0893155 ?        ?         
1 1 1 47 0  23 o 0.732533 0.417191  0.739716     0.940568 0.739716     0.940568 0.739716     0.940568 0.70309  0.366523  ?        ?         
1 1 1 47 0  24 o 2.60482  0.217484  6.97532      1.11484  6.97532      1.11484  6.97532      1.11484  2.62333  0.151405  ?        ?         
1 1 1 47 0  25 o 0.661729 0.407904  0.415571     1.02956  0.415571     1.02956  0.415571     1.02956  0.594561 0.354645  ?        ?         
1 1 1 47 0  26 o 0.863048 0.459534  1.13271      1.06275  1.13271      1.06275  1.13271      1.06275  0.870832 0.398515  ?        ?         
1 1 1 47 0  27 o 0.600666 0.390289  0.0490574    1.08806  0.0490574    1.08806  0.0490574    1.08806  0.51083  0.330546  ?        ?         
1 1 1 47 0  28 o 2.2456   0.262807  5.32989      1.14363  5.32989      1.14363  5.32989      1.14363  2.27855  0.180038  ?        ?         
1 1 1 47 0  29 o 3.8003   0.174115  14.6589      1.31705  14.6589      1.31705  14.6589      1.31705  3.81457  0.122356  ?        ?         
1 1 1 47 0  30 o 1.6199   0.421061  3.2105       1.17647  3.2105       1.17647  3.2105       1.17647  1.72074  0.259466  ?        ?         
1 1 1 47 0  31 o 2.28816  0.273623  5.59407      1.21164  5.59407      1.21164  5.59407      1.21164  2.32846  0.186738  ?        ?         
1 1 1 47 0  32 o 1.02296  0.496712  1.68541      1.18037  1.68541      1.18037  1.68541      1.18037  1.09507  0.410082  ?        ?         
1 1 1 47 0  33 o 0.632636 0.411844  0.141692     1.21843  0.141692     1.21843  0.141692     1.21843  0.54765  0.35277   ?        ?         
1 1 1 47 0  34 o 0.484994 0.340292  -0.875402    1.18072  -0.875402    1.18072  -0.875402    1.18072  0.384227 0.273563  ?        ?         
1 1 1 47 0  35 o 0.563721 0.37958   -0.188744    1.18419  -0.188744    1.18419  -0.188744    1.18419  0.472942 0.318679  ?        ?         
1 1 1 47 0  36 o 0.767936 0.45806   0.968239     1.21449  0.968239     1.21449  0.968239     1.21449  0.754076 0.409736  ?        ?         
1 1 1 47 0  37 o 0.778224 0.464349  1.0546       1.24875  1.0546       1.24875  1.0546       1.24875  0.7745   0.417015  ?        ?         
1 1 1 47 0  38 o 1.80933  0.468237  4.56915      1.46154  4.56915      1.46154  4.56915      1.46154  2.00125  0.269028  ?        ?         
1 1 1 47 0  39 o 0.96814  0.555623  2.36841      1.68292  2.36841      1.68292  2.36841      1.68292  1.11314  0.501801  ?        ?         
1 1 1 47 0  40 o 0.738281 0.509149  1.30562      2.36026  1.30562      2.36026  1.30562      2.36026  0.735123 0.47995   ?        ?         
1 1 1 47 1  0  o 2.08763  0.198966  4.47954      0.813402 4.47954      0.813402 4.47954      0.813402 2.10254  0.138146  ?        ?         
1 1 1 47 1  1  o 10.9996  0.0883791 121.033      1.94427  119.407      2.78708  122.575      2.71361  10.9233  0.127575  11.0676  0.122593  
1 1 1 47 1  2  o 6.02086  0.0724845 36.2594      0.872838 36.6657      1.2758   35.9018      1.19675  6.05368  0.105374  5.99044  0.099888  
1 1 1 47 1  3  o 7.7592   0.0752221 60.221       1.16733  61.2163      1.72064  59.3722      1.58892  7.82187  0.109989  7.70342  0.103131  
1 1 1 47 1  4  o 16.3621  0.118342  267.899      3.87264  266.209      5.32594  269.794      5.64113  16.3055  0.163317  16.4138  0.171841  
1 1 1 47 1  5  o 14.6525  0.109168  214.822      3.19917  211.531      4.41033  218.476      4.6476   14.5358  0.151706  14.7718  0.157313  
1 1 1 47 1  6  o 6.25917  0.069316  39.1871      0.867722 40.622       1.22515  37.7429      1.22915  6.372    0.0961352 6.14192  0.100062  
1 1 1 47 1  7  f 4.31133  0.074408  18.5933      0.641595 19.119       0.899979 18.0499      0.914911 4.37126  0.102943  4.24717  0.107708  
1 1 1 47 1  8  o 3.95336  0.0794649 15.6348      0.628307 16.5204      0.864568 14.6436      0.914669 4.06319  0.10639   3.8251   0.119561  
1 1 1 47 1  9  o 6.17366  0.0722915 38.1265      0.892606 38.6899      1.24629  37.533       1.27902  6.21816  0.100214  6.12432  0.104421  
1 1 1 47 1  10 o 1.74172  0.16322   3.03904      0.568568 2.77402      0.780973 3.33791      0.829359 1.66241  0.234892  1.82378  0.227374  
1 1 1 47 1  11 o 5.64726  0.0767855 31.9055      0.867255 31.9482      1.2197   31.8618      1.23339  5.64981  0.107941  5.6421   0.109302  
1 1 1 47 1  12 o 3.87978  0.0889662 15.0626      0.690338 15.7745      1.07894  14.5692      0.898274 3.96863  0.135934  3.81474  0.117737  
1 1 1 47 1  13 o 6.52992  0.0747584 42.663       0.976333 44.348       1.42339  41.1659      1.34171  6.65576  0.106929  6.41268  0.104614  
1 1 1 47 1  14 o 8.94762  0.0872428 80.1253      1.56123  81.1732      2.24426  79.1427      2.17327  9.00213  0.124652  8.88911  0.122244  
1 1 1 47 1  15 o 3.36222  0.0974835 11.317       0.655521 11.323       0.934538 11.3113      0.919734 3.36116  0.13902   3.35954  0.136884  
1 1 1 47 1  16 o 3.27376  0.095386  10.7304      0.624542 10.3788      0.877132 11.092       0.889468 3.21765  0.1363    3.32653  0.133693  
1 1 1 47 1  17 o 2.50042  0.123434  6.26597      0.617273 6.58206      0.88145  5.96178      0.864703 2.55998  0.172159  2.43604  0.177481  
1 1 1 47 1  18 o 3.81327  0.0867172 14.5588      0.661351 14.5521      0.937494 14.5655      0.933105 3.80998  0.123031  3.81178  0.122397  
1 1 1 47 1  19 o 2.37563  0.12902   5.66096      0.613005 6.21822      0.870592 5.113        0.863293 2.48659  0.175058  2.25355  0.191541  
1 1 1 47 1  20 o 2.12366  0.142453  4.5286       0.605043 4.70915      0.855505 4.34791      0.855816 2.16148  0.197898  2.07623  0.206099  
1 1 1 47 1  21 o 4.73007  0.0845739 22.4097      0.80008  22.8318      1.15164  22.0159      1.11235  4.77044  0.120705  4.68468  0.118723  
1 1 1 47 1  22 o 0.92529  0.304472  0.843697     0.652245 0.783017     0.907037 0.908674     0.9386   0.966792 0.35623   1.01135  0.363371  
1 1 1 47 1  23 o 2.2626   0.156248  5.1563       0.707056 4.28319      1.00895  5.99884      0.99114  2.05146  0.245912  2.43449  0.203562  
1 1 1 47 1  24 o 3.50989  0.116395  12.3745      0.817066 15.1622      1.17874  9.79634      1.13359  3.87889  0.151943  3.11266  0.182093  
1 1 1 47 1  25 o 1.78703  0.210477  3.24424      0.752258 2.68633      1.04507  3.84414      1.08369  1.5777   0.340875  1.93337  0.280259  
1 1 1 47 1  26 o 2.68919  0.151291  7.29716      0.813698 8.07638      1.15343  6.52516      1.14807  2.81866  0.204606  2.5288   0.226999  
1 1 1 47 1  27 o 2.05323  0.195898  4.28988      0.804444 4.58211      1.1739   4.03114      1.10457  2.10338  0.279051  1.97265  0.279972  
1 1 1 47 1  28 o 3.07199  0.138458  9.53209      0.850685 9.6267       1.20658  9.43857      1.19955  3.07167  0.196405  3.04126  0.197213  
1 1 1 47 1  29 o 2.01983  0.202722  4.17883      0.818927 3.48207      1.14709  4.90308      1.1695   1.78407  0.333846  2.16812  0.269704  
1 1 1 47 1  30 o 2.83062  0.152323  8.13584      0.862335 8.92076      1.21782  7.34651      1.22124  2.94515  0.20675   2.66426  0.22919   
1 1 1 47 1  31 o 2.2975   0.186751  5.41737      0.858124 5.41295      1.22268  5.42166      1.20466  2.26518  0.269886  2.26892  0.26547   
1 1 1 47 1  32 o 1.25245  0.332294  1.7771       0.846271 0.447613     1.19117  3.13206      1.20253  0.925509 0.386258  1.64787  0.373442  
1 1 1 47 1  33 o 3.01221  0.157728  9.30084      0.95022  10.047       1.37611  8.62078      1.31369  3.09407  0.222378  2.86164  0.229535  
1 1 1 47 1  34 o 0.979591 0.345142  1.05108      0.843103 0.332794     1.18878  1.778        1.1959   0.878288 0.376929  1.21025  0.412277  
1 1 1 47 1  35 o 0.852093 0.335645  0.653412     0.839197 0.640944     1.1788   0.666225     1.19497  0.921073 0.384317  0.929305 0.387296  
1 1 1 47 1  36 o 1.12124  0.354392  1.59382      0.888035 0.531379     1.28502  2.56506      1.22862  0.894218 0.387946  1.36789  0.413877  
1 1 1 47 1  37 o 1.00223  0.364568  1.28622      0.947356 1.27894      1.32698  1.29379      1.35293  1.01168  0.413324  1.01609  0.416604  
1 1 1 47 1  38 o 1.16125  0.387752  2.02828      1.05785  0.520397     1.5337   3.39661      1.461    0.866042 0.395185  1.4171   0.455243  
1 1 1 47 1  39 o 0.921711 0.395476  1.4285       1.30813  1.72797      2.02326  1.2134       1.71473  0.946482 0.440503  0.894445 0.412132  
1 1 1 47 1  40 o 0.736453 0.352605  0.0638472    1.47153  -0.688838    2.02885  0.899318     2.13751  0.7423   0.367386  0.844697 0.408933  
1 1 1 47 2  0  o 7.14661  0.107967  51.1231      1.54239  51.1231      1.54239  51.1231      1.54239  7.14832  0.0763058 ?        ?         
1 1 1 47 2  1  o 3.9994   0.0824698 16.0004      0.65966  16.092       0.965866 15.9204      0.903096 4.01009  0.120429  3.9888   0.113204  
1 1 1 47 2  2  o 9.66667  0.0805226 93.474       1.55677  91.3346      2.15524  95.8079      2.2511   9.55396  0.112793  9.785    0.115028  
1 1 1 47 2  3  o 4.09416  0.0771608 16.7671      0.631818 15.9143      0.867914 17.7286      0.921547 3.9881   0.108813  4.20929  0.109466  
1 1 1 47 2  4  o 10.341   0.0820322 106.972      1.69658  106.05       2.36221  107.955      2.43826  10.2946  0.114731  10.3865  0.117376  
1 1 1 47 2  5  o 7.65058  0.0724225 58.5477      1.10815  57.6236      1.51569  59.6089      1.62425  7.58902  0.0998608 7.71842  0.105219  
1 1 1 47 2  6  o 12.8735  0.0962594 165.812      2.47839  165.719      3.46449  165.909      3.54691  12.8667  0.134629  12.8738  0.137757  
1 1 1 47 2  7  o 7.7631   0.076714  60.2865      1.19108  63.1009      1.77609  57.9863      1.60565  7.9407   0.111835  7.6124   0.105463  
1 1 1 47 2  8  f 15.6816  0.118735  246.126      3.72391  244.145      5.16203  248.276      5.37737  15.6118  0.165324  15.7424  0.170792  
1 1 1 47 2  9  o 1.05349  0.248798  1.1593       0.516474 2.40996      0.773429 0.15277      0.693845 1.54916  0.249628  0.722083 0.297584  
1 1 1 47 2  10 o 1.03717  0.255034  1.12404      0.526034 2.12258      0.77413  0.267438     0.716999 1.42852  0.280966  0.763247 0.306862  
1 1 1 47 2  11 o 6.39895  0.0726281 40.9638      0.929488 41.041       1.37618  40.899       1.26042  6.40335  0.107458  6.39273  0.0985825 
1 1 1 47 2  12 o 3.39579  0.0893595 11.5398      0.606893 11.4278      0.878651 11.642       0.839256 3.3779   0.130059  3.40968  0.12307   
1 1 1 47 2  13 o 6.88112  0.0751062 47.3777      1.03363  47.09        1.48032  47.6514      1.4439   6.85808  0.107926  6.89909  0.104644  
1 1 1 47 2  14 o 6.47207  0.0802445 41.9178      1.0387   41.5281      1.43248  42.3499      1.50833  6.43977  0.111221  6.50278  0.115976  
1 1 1 47 2  15 o 4.64215  0.0792095 21.5664      0.735404 21.4182      1.0514   21.7083      1.029    4.62426  0.113683  4.65568  0.11051   
1 1 1 47 2  16 o 4.4962   0.0825763 20.2351      0.74256  19.2696      1.0417   21.2324      1.05878  4.3854   0.11877   4.60362  0.114994  
1 1 1 47 2  17 o 2.97244  0.10593   8.85046      0.629741 8.60199      0.891861 9.09751      0.88932  2.92769  0.152315  3.01116  0.147671  
1 1 1 47 2  18 o 3.47756  0.0930335 12.1115      0.64706  11.5022      0.891559 12.7897      0.940568 3.38639  0.131639  3.57089  0.1317    
1 1 1 47 2  19 o 3.74091  0.0899813 14.0164      0.673223 14.38        0.958815 13.6628      0.945488 3.78623  0.126619  3.69046  0.128099  
1 1 1 47 2  20 o 2.77639  0.113059  7.72906      0.627791 7.31488      0.881584 8.1552       0.894212 2.6971   0.163432  2.84842  0.156967  
1 1 1 47 2  21 o 2.06273  0.150403  4.27773      0.620482 4.82381      0.881917 3.74247      0.873136 2.18577  0.20174   1.9228   0.227048  
1 1 1 47 2  22 o 1.61136  0.203459  2.62624      0.65569  2.16464      0.92897  3.0845       0.925611 1.42253  0.332213  1.73946  0.266063  
1 1 1 47 2  23 o 2.56423  0.143743  6.61682      0.737181 6.86163      1.03342  6.36319      1.05188  2.60382  0.198444  2.5057   0.209898  
1 1 1 47 2  24 o 0.778525 0.309141  0.35634      0.717205 0.611739     1.0255   0.11182      1.00342  0.948539 0.371785  0.828356 0.35054   
1 1 1 47 2  25 o 0.68971  0.298733  -0.0667482   0.759602 -1.48197     1.07196  1.36056      1.07653  0.620426 0.29799   1.16194  0.39116   
1 1 1 47 2  26 o 1.19543  0.318497  1.53933      0.775417 1.79399      1.08769  1.27614      1.10574  1.29032  0.389219  1.13871  0.395832  
1 1 1 47 2  27 o 1.2019   0.315208  1.5708       0.767061 3.35718      1.1058   -0.0859784   1.06493  1.76229  0.326009  0.805772 0.351397  
1 1 1 47 2  28 o 1.66792  0.233211  2.86543      0.777954 2.94299      1.09206  2.78552      1.10851  1.63542  0.344664  1.58559  0.358007  
1 1 1 47 2  29 o 1.58269  0.255598  2.60422      0.809068 1.44242      1.15974  3.70574      1.12926  1.17387  0.405638  1.87381  0.301327  
1 1 1 47 2  30 f 0.857011 0.330116  0.583907     0.801246 0.456375     1.1036   0.726065     1.16517  0.913814 0.375734  0.988812 0.393594  
1 1 1 47 2  31 o 4.4697   0.116924  20.1861      1.04523  19.8565      1.46878  20.5243      1.48775  4.4097   0.16654   4.48359  0.165911  
1 1 1 47 2  32 o 2.92056  0.153341  8.70552      0.895685 8.41836      1.25619  9.00249      1.27746  2.84131  0.221059  2.9403   0.217232  
1 1 1 47 2  33 o 2.71617  0.169157  7.60218      0.918917 6.2337       1.29832  8.97583      1.30077  2.40544  0.269872  2.92003  0.222733  
1 1 1 47 2  34 o 1.78939  0.239483  3.43069      0.857055 3.20236      1.20921  3.66119      1.21493  1.6248   0.378748  1.75713  0.358128  
1 1 1 47 2  35 o 1.32783  0.319932  2.10013      0.840841 3.18321      1.1918   1.02672      1.18648  1.59652  0.378518  0.998042 0.397205  
1 1 1 47 2  36 o 0.79722  0.331278  0.483234     0.870332 -0.538879    1.22377  1.5293       1.23802  0.724989 0.339345  1.08743  0.412714  
1 1 1 47 2  37 o 1.3628   0.353298  2.46303      0.970738 1.85209      1.40459  3.02168      1.34313  1.11418  0.435437  1.41354  0.433755  
1 1 1 47 2  38 o 1.23353  0.395703  2.3247       1.10412  2.02453      1.57257  2.61654      1.5506   1.08661  0.447942  1.2028   0.46031   
1 1 1 47 2  39 o 0.729163 0.345608  0.0291027    1.35599  -0.174204    1.98071  0.20844      1.86029  0.782162 0.382151  0.798658 0.38575   
1 1 1 47 2  40 o 0.712781 0.341597  0.0238802    1.38942  -0.954868    2.04516  0.862824     1.89347  0.718104 0.357608  0.818863 0.393966  
1 1 1 47 3  0  o 4.70812  0.105046  22.2057      0.988021 22.2057      0.988021 22.2057      0.988021 4.71021  0.0742035 ?        ?         
1 1 1 47 3  1  o 13.6271  0.102336  185.797      2.78908  185.652      3.88972  185.951      4.00136  13.6183  0.142812  13.6289  0.146798  
1 1 1 47 3  2  o 6.32137  0.0717952 39.9705      0.907688 40.4866      1.25867  39.4112      1.31021  6.36129  0.0989321 6.27606  0.104381  
1 1 1 47 3  3  o 11.0256  0.0843947 121.61       1.86101  120.473      2.61955  122.769      2.64435  10.9719  0.119375  11.0759  0.119374  
1 1 1 47 3  4  o 7.49591  0.0688457 56.2033      1.03212  55.7735      1.44072  56.6565      1.47933  7.46627  0.096482  7.52507  0.0982933 
1 1 1 47 3  5  o 3.39134  0.0877405 11.5062      0.595115 11.4287      0.802159 11.6011      0.887543 3.37928  0.118688  3.4044   0.130352  
1 1 1 47 3  6  o 4.34901  0.0742149 18.9201      0.645523 18.7005      0.88862  19.1653      0.939302 4.32306  0.102777  4.37633  0.107316  
1 1 1 47 3  7  o 11.433   0.0857736 130.774      1.9613   129.832      2.76511  131.727      2.78237  11.3891  0.121393  11.472   0.121268  
1 1 1 47 3  8  o 14.7715  0.105363  218.359      3.11274  217.993      4.36234  218.737      4.44291  14.7538  0.147838  14.7786  0.150316  
1 1 1 47 3  9  o 4.46998  0.072378  19.9882      0.647056 19.9512      0.92869  20.0231      0.902042 4.46493  0.103998  4.47307  0.10083   
1 1 1 47 3  10 o 6.70555  0.0718692 44.9825      0.963846 44.3764      1.38969  45.5443      1.33795  6.65871  0.104351  6.74605  0.0991656 
1 1 1 47 3  11 o 7.29775  0.0759962 53.284       1.1092   53.7372      1.64778  52.9085      1.49993  7.3265   0.112453  7.27043  0.103152  
1 1 1 47 3  12 o 10.6936  0.0942188 114.455      2.01507  113.815      2.87291  115.075      2.82712  10.6587  0.134768  10.7179  0.131887  
1 1 1 47 3  13 o 8.3391   0.081381  69.5906      1.35729  68.9147      1.95173  70.2236      1.88881  8.29527  0.117641  8.37418  0.112776  
1 1 1 47 3  14 o 3.28159  0.0970007 10.7808      0.636634 10.1821      0.899395 11.3819      0.901279 3.18719  0.141095  3.37015  0.133715  
1 1 1 47 3  15 o 6.84792  0.0765108 46.9305      1.04788  45.9258      1.4276   48.1042      1.54297  6.77186  0.105407  6.93002  0.111325  
1 1 1 47 3  16 o 2.68855  0.113778  7.24187      0.611793 7.5535       0.876441 6.94571      0.854393 2.74325  0.159745  2.6304   0.162407  
1 1 1 47 3  17 o 5.737    0.0768932 32.9445      0.882273 32.0586      1.22237  33.9079      1.27472  5.65666  0.108047  5.81738  0.109561  
1 1 1 47 3  18 o 3.99294  0.0874123 15.9657      0.698063 16.9348      1.00465  15.0611      0.970649 4.1096   0.122232  3.87532  0.125235  
1 1 1 47 3  19 o 2.08888  0.141682  4.38104      0.591915 5.03561      0.84627  3.75411      0.828211 2.23601  0.189237  1.92866  0.214711  
1 1 1 47 3  20 o 1.73574  0.170042  3.03194      0.590298 2.25353      0.834826 3.81028      0.83479  1.46211  0.295825  1.94222  0.214906  
1 1 1 47 3  21 o 2.12174  0.150784  4.52754      0.639847 4.71982      0.888454 4.32037      0.922252 2.16109  0.205557  2.06568  0.223233  
1 1 1 47 3  22 o 1.37169  0.25018   1.97276      0.660892 2.67851      0.925923 1.23979      0.943612 1.59163  0.301813  1.11175  0.366217  
1 1 1 47 3  23 o 1.55221  0.223773  2.44762      0.694687 3.02416      0.979478 1.86405      0.985421 1.71677  0.285267  1.31649  0.362818  
1 1 1 47 3  24 o 0.904894 0.313287  0.776226     0.692061 0.185087     0.974515 1.37768      0.982985 0.832512 0.348532  1.15487  0.373657  
1 1 1 47 3  25 o 2.94174  0.139927  8.71749      0.823257 8.65176      1.15066  8.78642      1.17836  2.92007  0.197026  2.942    0.200265  
1 1 1 47 3  26 o 0.845854 0.32494   0.527905     0.775093 0.661407     1.10849  0.400188     1.08421  0.98021  0.38587   0.914034 0.373548  
1 1 1 47 3  27 o 2.24707  0.178601  5.13045      0.802656 5.019        1.16442  5.23134      1.10794  2.20197  0.264405  2.25325  0.245853  
1 1 1 47 3  28 o 2.79688  0.150492  7.92395      0.841817 7.07193      1.16657  8.84968      1.21598  2.62228  0.222435  2.93891  0.206876  
1 1 1 47 3  29 f 1.00058  0.341232  1.02071      0.81925  1.5603       1.17964  0.517986     1.13864  1.20667  0.409464  0.940709 0.383357  
1 1 1 47 3  30 o 2.49132  0.168234  6.33513      0.838249 7.15152      1.17564  5.4909       1.19553  2.62673  0.223785  2.28703  0.261372  
1 1 1 47 3  31 o 4.1749   0.120865  17.6255      1.0092   16.8244      1.38923  18.5206      1.46852  4.05625  0.171246  4.25509  0.17256   
1 1 1 47 3  32 o 3.41846  0.135522  11.8754      0.926556 11.8718      1.29972  11.8792      1.32125  3.39086  0.19165   3.39011  0.194868  
1 1 1 47 3  33 o 2.34615  0.188421  5.72445      0.884128 6.18296      1.24538  5.25856      1.25537  2.39666  0.259816  2.19375  0.286124  
1 1 1 47 3  34 o 0.996028 0.343467  1.11475      0.83111  2.39348      1.17146  -0.181198    1.17932  1.38361  0.400463  0.787087 0.35478   
1 1 1 47 3  35 o 0.638006 0.291286  -0.314627    0.834776 -1.05298     1.14923  0.51007      1.21458  0.655422 0.313279  0.892956 0.382035  
1 1 1 47 3  36 o 0.678544 0.306831  -0.127871    0.889095 0.0460099    1.23742  -0.313434    1.27832  0.804027 0.36286   0.765959 0.354036  
1 1 1 47 3  37 o 0.659754 0.30384   -0.222564    0.930463 -0.596058    1.28247  0.192547     1.35203  0.709651 0.33624   0.817842 0.372612  
1 1 1 47 3  38 o 1.48842  0.387874  3.2643       1.16618  4.97098      1.72891  1.8396       1.57964  1.67563  0.486997  1.04606  0.441101  
1 1 1 47 3  39 o 0.795346 0.362647  0.722406     1.28616  2.30953      1.79454  -0.953943    1.8443   0.990398 0.442328  0.711899 0.35184   
1 1 1 47 3  40 o 0.951272 0.408139  2.08217      1.39312  2.18713      2.05075  1.99222      1.89841  0.892583 0.42399   0.884592 0.415654  
1 1 1 47 4  0  o 14.5856  0.155014  212.951      4.52079  212.951      4.52079  212.951      4.52079  14.5892  0.10957   ?        ?         
1 1 1 47 4  1  o 2.99671  0.0962117 8.98487      0.576638 8.9298       0.824143 9.03769      0.807102 2.98672  0.137968  3.00479  0.134303  
1 1 1 47 4  2  o 5.7207   0.0693408 32.7352      0.793355 34.3018      1.11805  31.1464      1.12594  5.85529  0.0954734 5.57932  0.100903  
1 1 1 47 4  3  o 7.57466  0.0741703 57.3934      1.12363  55.5609      1.50566  59.6968      1.68804  7.45176  0.101027  7.72376  0.109276  
1 1 1 47 4  4  o 15.3345  0.117214  235.334      3.59482  232.164      4.68819  239.857      5.60022  15.2264  0.153949  15.4725  0.180973  
1 1 1 47 4  5  o 10.1857  0.0831344 103.791      1.69356  102.634      2.32514  105.098      2.47168  10.1268  0.114801  10.2472  0.120602  
1 1 1 47 4  6  o 3.88296  0.0773508 15.0831      0.6007   16.2633      0.880934 14.0574      0.821239 4.03124  0.109263  3.74788  0.10956   
1 1 1 47 4  7  o 9.72529  0.0827338 94.6243      1.60922  95.1742      2.34142  94.1319      2.21536  9.75099  0.120061  9.6979   0.114219  
1 1 1 47 4  8  o 3.37995  0.0834657 11.4297      0.564219 11.7369      0.818503 11.1516      0.778828 3.42415  0.119519  3.33777  0.116669  
1 1 1 47 4  9  o 10.5106  0.0823374 110.529      1.73082  109.471      2.47027  111.55       2.42584  10.4572  0.118114  10.5563  0.1149    
1 1 1 47 4  10 o 5.07479  0.0724047 25.7651      0.734878 26.2266      1.06105  25.3396      1.01879  5.11883  0.103642  5.03163  0.101238  
1 1 1 47 4  11 o 4.49152  0.0879374 20.1889      0.789944 20.4974      1.20529  19.9565      1.04589  4.52353  0.133225  4.46432  0.117139  
1 1 1 47 4  12 f 7.60766  0.0792348 57.9152      1.20558  58.5004      1.73596  57.37        1.67555  7.64334  0.11356   7.56939  0.110679  
1 1 1 47 4  13 o 3.51249  0.0897543 12.3489      0.630523 12.6085      0.888844 12.0859      0.89457  3.54768  0.125271  3.4732   0.128782  
1 1 1 47 4  14 o 8.76268  0.0824728 76.8503      1.44536  77.6452      2.03175  76.0359      2.05658  8.80425  0.115385  8.7122   0.118029  
1 1 1 47 4  15 o 8.42582  0.0840296 71.0646      1.41604  68.8316      1.93557  73.636       2.07706  8.28856  0.116762  8.57232  0.121149  
1 1 1 47 4  16 o 7.55433  0.0788082 57.1218      1.19069  57.2721      1.66119  56.963       1.70754  7.56082  0.109855  7.53996  0.113233  
1 1 1 47 4  17 o 3.28468  0.0978963 10.8068      0.643117 10.8875      0.884882 10.7165      0.936304 3.2945   0.134297  3.26784  0.14326   
1 1 1 47 4  18 o 3.07061  0.103694  9.44804      0.636805 9.06283      0.917472 9.80613      0.884586 3.00376  0.15272   3.1255   0.141511  
1 1 1 47 4  19 o 1.11666  0.2595    1.31404      0.56902  0.721573     0.796333 1.93212      0.813369 0.921119 0.334329  1.35075  0.307831  
1 1 1 47 4  20 o 0.834203 0.285247  0.653523     0.572478 0.554492     0.810215 0.752257     0.808999 0.873255 0.33316   0.93298  0.33714   
1 1 1 47 4  21 o 1.49386  0.21264   2.25866      0.635307 2.25323      0.885385 2.26442      0.912132 1.45521  0.313183  1.45742  0.321553  
1 1 1 47 4  22 o 2.83048  0.127591  8.0504       0.722287 9.07565      1.01382  6.99363      1.02929  2.99994  0.168973  2.6297   0.195705  
1 1 1 47 4  23 o 3.32553  0.112198  11.1054      0.746235 10.9723      1.05906  11.2366      1.05165  3.29819  0.160552  3.33821  0.157517  
1 1 1 47 4  24 o 1.12473  0.314602  1.34899      0.735127 0.644026     1.01249  2.13496      1.06907  0.952008 0.370179  1.40112  0.374281  
1 1 1 47 4  25 o 2.0106   0.192122  4.10132      0.77256  3.551        1.06274  4.71808      1.12505  1.85465  0.286506  2.14321  0.262469  
1 1 1 47 4  26 o 5.4752   0.0987694 30.1079      1.08157  31.2136      1.51545  28.96        1.54408  5.56395  0.136185  5.35669  0.144126  
1 1 1 47 4  27 o 1.57204  0.245665  2.54789      0.772392 2.71875      1.05344  2.34926      1.13587  1.57395  0.344123  1.45191  0.384865  
1 1 1 47 4  28 o 3.21718  0.139984  10.4688      0.900709 11.2976      1.30286  9.71004      1.24659  3.32403  0.195976  3.07938  0.20241   
1 1 1 47 4  29 o 3.4644   0.132837  12.1392      0.920401 10.4071      1.30707  13.8427      1.29629  3.18259  0.205347  3.68361  0.175953  
1 1 1 47 4  30 o 0.785639 0.320353  0.334693     0.795601 0.513752     1.11449  0.148616     1.13612  0.925461 0.378558  0.858828 0.368529  
1 1 1 47 4  31 o 1.03088  0.340592  1.14219      0.816181 0.146231     1.12358  2.25487      1.18759  0.851138 0.365902  1.39095  0.403413  
1 1 1 47 4  32 o 1.84288  0.232953  3.56795      0.858605 4.04475      1.2268   3.11016      1.20208  1.92204  0.31914   1.63292  0.375661  
1 1 1 47 4  33 f 1.94471  0.223322  4.00341      0.868595 2.3825       1.21979  5.67077      1.23715  1.38655  0.410957  2.28509  0.270701  
1 1 1 47 4  34 o 0.911646 0.338684  0.856279     0.823027 -0.342507    1.16468  2.05199      1.16319  0.756996 0.345144  1.27721  0.405791  
1 1 1 47 4  35 f 1.36723  0.317664  2.24591      0.85283  2.60519      1.17547  1.84659      1.23922  1.40666  0.399235  1.18264  0.418261  
1 1 1 47 4  36 o 1.96097  0.239172  4.27135      0.93802  4.50704      1.29317  4.00964      1.36268  1.89203  0.354839  1.72923  0.401396  
1 1 1 47 4  37 o 0.494371 0.246068  -1.8846      0.962323 -2.90321     1.41231  -1.00182     1.31478  0.56847  0.285165  0.672361 0.324656  
1 1 1 47 4  38 o 0.688009 0.322556  -0.248948    1.12218  -0.854887    1.63567  0.289885     1.54244  0.734009 0.355937  0.824444 0.384057  
1 1 1 47 4  39 o 0.604912 0.297928  -1.11774     1.28145  -0.71165     1.82058  -1.51648     1.80403  0.714474 0.352258  0.66824  0.333207  
1 1 1 47 4  40 o 0.602459 0.296189  -0.592638    1.22976  1.55996      1.82935  -2.36746     1.66109  0.802414 0.386341  0.570154 0.288895  
1 1 1 47 5  0  o 2.32952  0.179139  5.52733      0.823266 5.52733      0.823266 5.52733      0.823266 2.34051  0.125179  ?        ?         
1 1 1 47 5  1  o 7.01841  0.0693203 49.2721      0.973037 49.0031      1.35202  49.5611      1.40148  6.9983   0.0965964 7.0379   0.0995664 
1 1 1 47 5  2  o 7.10192  0.0712014 50.4524      1.01133  49.3041      1.36246  51.8615      1.50926  7.01971  0.0970453 7.19913  0.104822  
1 1 1 47 5  3  o 6.73976  0.0708405 45.4382      0.954895 45.9615      1.33225  44.8853      1.36937  6.77749  0.0982849 6.69752  0.102229  
1 1 1 47 5  4  o 14.9865  0.108629  224.759      3.25594  223.099      4.42925  226.71       4.80255  14.9262  0.148372  15.0449  0.159608  
1 1 1 47 5  5  o 8.15814  0.0771036 66.5809      1.25804  66.341       1.64381  66.92        1.95456  8.14228  0.100943  8.17664  0.119521  
1 1 1 47 5  6  o 13.7041  0.10759   187.948      2.94884  184.107      3.82539  193.573      4.62923  13.5594  0.141061  13.8998  0.166521  
1 1 1 47 5  7  o 8.19924  0.0745804 67.2543      1.223    66.2563      1.68761  68.3582      1.77487  8.13662  0.103705  8.26444  0.10738   
1 1 1 47 5  8  o 4.24463  0.0748066 18.0246      0.635053 17.1813      0.881402 18.935       0.915785 4.14321  0.106367  4.34956  0.105273  
1 1 1 47 5  9  o 5.14413  0.0714909 26.4735      0.735518 26.4651      1.026    26.4824      1.05496  5.14225  0.0997621 5.14381  0.102546  
1 1 1 47 5  10 o 9.24109  0.0778422 85.4468      1.43869  84.2378      2.02421  86.681       2.04519  9.17284  0.110337  9.30496  0.109898  
1 1 1 47 5  11 o 8.44305  0.0832644 71.3369      1.40601  73.2777      2.05081  69.6155      1.93136  8.55384  0.119876  8.33777  0.11582   
1 1 1 47 5  12 o 8.34942  0.0807625 69.7634      1.34864  69.6811      1.99428  69.8326      1.83073  8.34089  0.119548  8.35101  0.109611  
1 1 1 47 5  13 o 1.59659  0.17107   2.55813      0.546257 1.62616      0.77316  3.48705      0.771891 1.24361  0.31128   1.86251  0.207218  
1 1 1 47 5  14 o 3.02912  0.0962305 9.18709      0.582987 9.05659      0.819783 9.32061      0.829235 3.00563  0.136375  3.04915  0.135978  
1 1 1 47 5  15 f 3.5968   0.0947621 12.954       0.681681 12.6865      0.995576 13.1901      0.935326 3.55667  0.139959  3.62737  0.128926  
1 1 1 47 5  16 o 10.8441  0.0902907 117.749      1.95824  116.776      2.68669  118.851      2.86017  10.7927  0.124468  10.8866  0.131362  
1 1 1 47 5  17 o 4.50301  0.0807775 20.3011      0.727484 20.2596      1.01156  20.3456      1.04699  4.4959   0.112498  4.50508  0.116201  
1 1 1 47 5  18 o 0.904115 0.284087  0.82346      0.57159  0.412652     0.805437 1.24027      0.811297 0.833139 0.32862   1.09912  0.33708   
1 1 1 47 5  19 f 2.46881  0.123175  6.11502      0.608193 6.71618      0.863412 5.52295      0.856856 2.58383  0.16708   2.3417   0.182956  
1 1 1 47 5  20 o 2.29106  0.140922  5.27452      0.64572  5.04223      0.913941 5.50604      0.912433 2.23408  0.204546  2.33561  0.195331  
1 1 1 47 5  21 o 1.72906  0.195045  3.02162      0.674489 4.11112      0.941741 1.87412      0.966484 2.01229  0.233997  1.32294  0.356992  
1 1 1 47 5  22 o 1.59308  0.203719  2.57046      0.649081 3.85674      0.910016 1.23839      0.926072 1.94743  0.233645  1.10694  0.362797  
1 1 1 47 5  23 o 5.26042  0.0895668 27.7499      0.942319 27.7733      1.32524  27.726       1.34017  5.2553   0.126086  5.25046  0.127624  
1 1 1 47 5  24 o 3.48042  0.119974  12.1761      0.835123 11.5564      1.15976  12.8434      1.20354  3.38145  0.171489  3.56536  0.168783  
1 1 1 47 5  25 o 4.29378  0.0979377 18.5071      0.841046 19.6408      1.18103  17.3407      1.19799  4.41597  0.133722  4.14688  0.144445  
1 1 1 47 5  26 o 3.02918  0.142228  9.26793      0.861667 8.45932      1.14238  10.3352      1.3124   2.88079  0.198275  3.18174  0.206239  
1 1 1 47 5  27 o 1.83084  0.206605  3.4296       0.756521 2.65977      1.0378   4.30257      1.10514  1.5545   0.343006  2.0338   0.271694  
1 1 1 47 5  28 o 2.04343  0.203233  4.27899      0.830582 4.62495      1.24908  4.00477      1.11206  2.0953   0.298068  1.95417  0.284536  
1 1 1 47 5  29 o 1.4176   0.299807  2.20192      0.823841 1.26433      1.1335   3.2518       1.19947  1.11656  0.399505  1.70167  0.363137  
1 1 1 47 5  30 o 0.542542 0.259649  -0.992832    0.795726 -1.41295     1.11281  -0.55327     1.13827  0.632069 0.30359   0.745538 0.340281  
1 1 1 47 5  31 o 0.685578 0.302065  -0.103748    0.803885 -1.15033     1.11154  1.04394      1.164    0.656005 0.311866  1.04952  0.399642  
1 1 1 47 5  32 o 1.88104  0.229527  3.72639      0.8635   2.41396      1.23234  4.9923       1.21031  1.41322  0.41129   2.15067  0.281379  
1 1 1 47 5  33 o 1.0179   0.346596  1.16811      0.845208 0.573019     1.19756  1.75874      1.19307  0.926006 0.386932  1.20527  0.411788  
1 1 1 47 5  34 o 1.13553  0.341407  1.54552      0.837798 1.63274      1.20895  1.46493      1.16209  1.15352  0.4126    1.10877  0.403733  
1 1 1 47 5  35 o 0.577415 0.272586  -0.687537    0.835116 -0.247009    1.16723  -1.14954     1.19534  0.750282 0.343334  0.653572 0.314095  
1 1 1 47 5  36 o 1.57501  0.300534  2.98861      0.912744 2.93728      1.26338  3.04465      1.32013  1.44124  0.415468  1.45574  0.426339  
1 1 1 47 5  37 o 1.57905  0.326936  3.25643      0.997632 2.42997      1.37829  4.16593      1.44587  1.20458  0.439583  1.63572  0.434507  
1 1 1 47 5  38 o 0.68466  0.321025  -0.140587    1.1128   -0.185978    1.58551  -0.096519    1.56224  0.762489 0.365296  0.767139 0.366339  
1 1 1 47 5  39 o 0.708696 0.335886  0.0494457    1.28061  0.115124     1.82049  -0.0148884   1.80176  0.771192 0.374449  0.760801 0.370362  
1 1 1 47 6  0  o 0.430371 0.297173  -0.512455    0.80814  -0.512455    0.80814  -0.512455    0.80814  0.338561 0.237315  ?        ?         
1 1 1 47 6  1  o 1.11918  0.248899  1.30749      0.542537 1.47383      0.752375 1.12729      0.783072 1.18875  0.312369  1.06249  0.332248  
1 1 1 47 6  2  o 12.9325  0.0951703 167.347      2.46159  168.228      3.4261   166.408      3.53907  12.9629  0.13215   12.8921  0.137258  
1 1 1 47 6  3  o 2.57699  0.107147  6.64585      0.552234 6.8158       0.778613 6.47383      0.783362 2.60879  0.149229  2.54238  0.154061  
1 1 1 47 6  4  o 17.6232  0.126355  310.91       4.45358  309.43       6.00871  312.715      6.63427  17.5732  0.170963  17.6626  0.187806  
1 1 1 47 6  5  o 12.7956  0.0968478 163.834      2.47844  161.417      3.32492  166.855      3.71803  12.6973  0.13093   12.9078  0.144023  
1 1 1 47 6  6  o 17.3549  0.125293  301.538      4.34889  298.22       5.8328   305.692      6.52593  17.2507  0.16906   17.4614  0.186867  
1 1 1 47 6  7  o 8.15416  0.0774422 66.5214      1.26295  64.2081      1.70812  69.3113      1.8758   8.0094   0.106632  8.32117  0.112713  
1 1 1 47 6  8  o 2.04345  0.127632  4.18144      0.521617 4.34931      0.710643 3.98535      0.768054 2.08292  0.170588  1.99318  0.19267   
1 1 1 47 6  9  o 5.65412  0.0699522 31.9838      0.791037 31.3136      1.10153  32.6976      1.13669  5.59331  0.0984681 5.71553  0.0994391 
1 1 1 47 6  10 o 2.77611  0.098529  7.71459      0.547056 8.2652       0.763853 7.13479      0.783842 2.87231  0.132969  2.66813  0.146889  
1 1 1 47 6  11 o 8.42916  0.081868  71.1031      1.38016  72.1025      2.04902  70.2731      1.86729  8.48454  0.12075   8.3772   0.11145   
1 1 1 47 6  12 o 5.31746  0.0793267 28.2963      0.843633 29.4032      1.20252  27.2236      1.18386  5.41853  0.110964  5.21365  0.113534  
1 1 1 47 6  13 o 4.17281  0.0785801 17.4264      0.6558   17.7237      0.935402 17.139       0.91968  4.20656  0.111184  4.13659  0.111164  
1 1 1 47 6  14 o 6.66991  0.0747181 44.523       0.996726 44.1877      1.40307  44.8646      1.41619  6.64209  0.105619  6.69276  0.1058    
1 1 1 47 6  15 o 1.50168  0.19283   2.26798      0.579138 2.71382      0.835727 1.85608      0.803286 1.63909  0.254937  1.32662  0.308346  
1 1 1 47 6  16 o 4.06545  0.0872341 16.5495      0.709291 16.633       1.0139   16.4696      0.992613 4.07288  0.12447   4.053    0.122454  
1 1 1 47 6  17 o 2.61199  0.11934   6.84107      0.623429 6.5333       0.852026 7.19571      0.914622 2.54923  0.167114  2.67502  0.170956  
1 1 1 47 6  18 o 1.11529  0.26088   1.31113      0.572137 1.91287      0.798617 0.676651     0.820056 1.34435  0.304103  0.914082 0.338374  
1 1 1 47 6  19 o 1.05338  0.274292  1.17055      0.58348  0.977382     0.819183 1.36947      0.83128  1.00821  0.341218  1.14609  0.339167  
1 1 1 47 6  20 o 2.16586  0.148296  4.718        0.642376 4.32369      0.876119 5.17642      0.944662 2.0673   0.2119    2.26237  0.208777  
1 1 1 47 6  21 o 4.11378  0.0988615 16.9715      0.813388 15.8292      1.11018  18.2953      1.19512  3.96733  0.139915  4.26516  0.140102  
1 1 1 47 6  22 o 1.73548  0.187529  3.046        0.650904 3.9846       0.94199  2.18836      0.900449 1.97791  0.238128  1.42828  0.322787  
1 1 1 47 6  23 f 4.93202  0.0960695 24.4058      0.947634 23.1484      1.30046  25.8293      1.38372  4.79531  0.135597  5.06515  0.136592  
1 1 1 47 6  24 o 1.04609  0.319338  1.14636      0.729276 0.752508     1.02456  1.55083      1.03828  0.981856 0.374631  1.21301  0.38318   
1 1 1 47 6  25 o 3.11584  0.123315  9.76826      0.768457 10.6308      1.05684  8.80058      1.11938  3.24288  0.162948  2.94484  0.190058  
1 1 1 47 6  26 o 2.6177   0.156813  6.93717      0.82098  8.69402      1.09852  4.71447      1.23561  2.92278  0.187924  2.12672  0.290497  
1 1 1 47 6  27 o 0.671571 0.29436   -0.112469    0.755152 -0.615298    1.0508   0.424571     1.08596  0.710999 0.325526  0.909544 0.373137  
1 1 1 47 6  28 o 1.7866   0.227122  3.29368      0.811551 2.99885      1.17117  3.56602      1.12559  1.63621  0.366984  1.80759  0.323     
1 1 1 47 6  29 o 2.38583  0.17489   5.8165       0.834516 6.35306      1.13895  5.19452      1.22625  2.47427  0.230158  2.21961  0.276231  
1 1 1 47 6  30 o 1.33464  0.310903  1.98017      0.815229 1.27937      1.1517   2.68393      1.15412  1.1154   0.402338  1.52826  0.378973  
1 1 1 47 6  31 o 0.794555 0.322118  0.385815     0.799362 -0.721306    1.12244  1.52519      1.13867  0.711453 0.329953  1.17041  0.402179  
1 1 1 47 6  32 o 1.80889  0.237984  3.47112      0.860973 4.2353       1.21844  2.70903      1.21676  1.9588   0.311017  1.49462  0.399316  
1 1 1 47 6  33 o 1.70387  0.250272  3.1299       0.852862 3.02801      1.20966  3.23062      1.20263  1.57223  0.386829  1.63459  0.375542  
1 1 1 47 6  34 o 0.943469 0.343347  0.98206      0.840359 0.944327     1.17923  1.021        1.19788  0.979346 0.393621  0.998774 0.398603  
1 1 1 47 6  35 o 1.189    0.349232  1.79556      0.88455  3.30687      1.25181  0.288406     1.25008  1.57742  0.396837  0.846489 0.374335  
1 1 1 47 6  36 o 1.804    0.254023  3.72217      0.916514 3.73049      1.30553  3.71409      1.28696  1.63507  0.401604  1.63794  0.396535  
1 1 1 47 6  37 o 0.773848 0.335424  0.476169     0.959    0.823236     1.36961  0.142337     1.34324  0.88833  0.392461  0.791101 0.36461   
1 1 1 47 6  38 o 0.778694 0.353576  0.568789     1.19498  0.38862      1.71794  0.737678     1.6633   0.808818 0.385746  0.837485 0.392646  
1 1 1 47 6  39 o 0.558585 0.278048  -1.65396     1.22974  -2.77055     1.85577  -0.779785    1.64201  0.620739 0.313412  0.690414 0.340082  
1 1 1 47 7  0  o 3.87805  0.123588  15.0928      0.956357 15.0928      0.956357 15.0928      0.956357 3.88151  0.0872107 ?        ?         
1 1 1 47 7  1  o 4.4127   0.0780581 19.48        0.688894 19.027       0.94634  19.9906      1.00477  4.36022  0.10852   4.46914  0.112412  
1 1 1 47 7  2  o 5.55962  0.0701745 30.9199      0.780287 30.5813      1.1212   31.2379      1.0866   5.52805  0.10141   5.58724  0.0972394 
1 1 1 47 7  3  o 9.72089  0.0801129 94.5385      1.55754  95.4153      2.21464  93.6804      2.19094  9.76358  0.113413  9.67443  0.113233  
1 1 1 47 7  4  o 4.79673  0.0711508 23.0171      0.682582 23.0139      0.942639 23.0206      0.989715 4.79557  0.0982823 4.7961   0.103179  
1 1 1 47 7  5  o 6.12024  0.0752137 37.4735      0.920652 35.3546      1.28415  39.7143      1.32061  5.94331  0.108033  6.29927  0.104823  
1 1 1 47 7  6  o 3.93109  0.0782176 15.461       0.61496  15.6278      0.860269 15.2867      0.879417 3.9513   0.108859  3.90782  0.11252   
1 1 1 47 7  7  o 2.53369  0.104885  6.4257       0.53149  6.40046      0.74574  6.45175      0.757682 2.52752  0.147524  2.53757  0.149293  
1 1 1 47 7  8  o 4.72099  0.071695  22.2986      0.676942 23.4888      0.975014 21.1909      0.940595 4.84421  0.100637  4.60108  0.102215  
1 1 1 47 7  9  f 1.48114  0.171295  2.20046      0.507422 2.57758      0.701449 1.78648      0.734927 1.60153  0.218993  1.30547  0.289149  
1 1 1 47 7  10 o 5.23486  0.0727488 27.4196      0.76166  27.6023      1.05982  27.2244      1.09536  5.25088  0.100918  5.21457  0.105028  
1 1 1 47 7  11 o 8.31208  0.0800192 69.1419      1.33025  70.5688      1.90523  67.7845      1.85818  8.39425  0.113484  8.22705  0.112931  
1 1 1 47 7  12 o 3.98008  0.0822681 15.8546      0.654867 16.7914      0.93969  14.97        0.913124 4.09431  0.114756  3.86568  0.118106  
1 1 1 47 7  13 o 8.20202  0.0784369 67.3307      1.28668  66.6457      1.78886  68.0649      1.85207  8.15685  0.109654  8.2429   0.112343  
1 1 1 47 7  14 o 4.6324   0.0806906 21.48        0.747582 20.4355      1.04677  22.5672      1.06803  4.516    0.115896  4.74597  0.112519  
1 1 1 47 7  15 o 3.489    0.0930434 12.1905      0.649257 10.796       0.901626 13.6923      0.935696 3.28059  0.137418  3.69539  0.126603  
1 1 1 47 7  16 o 0.951123 0.281226  0.931286     0.571759 1.32605      0.835307 0.583277     0.784281 1.13351  0.340919  0.875935 0.329579  
1 1 1 47 7  17 o 4.13518  0.0897912 17.1274      0.742606 16.068       1.02031  18.3207      1.08289  4.002    0.127475  4.27342  0.1267    
1 1 1 47 7  18 o 4.38174  0.0832783 19.2283      0.729807 19.3362      1.03043  19.1198      1.03378  4.39083  0.117339  4.36607  0.118388  
1 1 1 47 7  19 o 3.58034  0.0982272 12.8489      0.703373 12.6662      0.962738 13.0579      1.03012  3.55105  0.135557  3.60466  0.142887  
1 1 1 47 7  20 o 2.35777  0.144005  5.59117      0.679062 5.80807      0.926839 5.33982      0.997756 2.39767  0.193279  2.2959   0.217291  
1 1 1 47 7  21 o 6.80153  0.0844665 46.3613      1.149    44.9954      1.5712   47.9315      1.68459  6.69383  0.117362  6.90764  0.121937  
1 1 1 47 7  22 o 2.19121  0.151621  4.83903      0.664465 4.1259       0.926216 5.59525      0.953781 2.01296  0.230063  2.34881  0.203035  
1 1 1 47 7  23 o 4.51066  0.105385  20.4269      0.950715 22.2504      1.38814  18.8159      1.30476  4.69853  0.14772   4.31996  0.151015  
1 1 1 47 7  24 o 1.69318  0.203482  2.91384      0.689065 1.57487      0.922418 4.60447      1.0365   1.21216  0.356818  2.12087  0.244357  
1 1 1 47 7  25 o 1.68325  0.216925  2.89353      0.73028  3.18004      0.977639 2.53186      1.09842  1.75271  0.278894  1.51724  0.36573   
1 1 1 47 7  26 o 3.67611  0.117039  13.609       0.860496 14.279       1.21478  12.9342      1.21908  3.75351  0.161819  3.56969  0.170754  
1 1 1 47 7  27 o 4.12853  0.116383  17.1795      0.960986 18.6963      1.33733  15.56        1.38185  4.29359  0.155735  3.90908  0.176748  
1 1 1 47 7  28 o 2.48524  0.165523  6.28509      0.822727 7.61618      1.15837  4.93011      1.16872  2.72013  0.212926  2.17005  0.269284  
1 1 1 47 7  29 o 0.944268 0.342298  0.856109     0.834521 0.676023     1.14183  1.0626       1.22269  0.968272 0.388093  1.07398  0.409408  
1 1 1 47 7  30 o 0.751199 0.315204  0.192688     0.80005  1.04777      1.14584  -0.620729    1.11757  1.0539   0.397912  0.727312 0.334128  
1 1 1 47 7  31 o 0.698139 0.304477  -0.0271006   0.799632 -0.573376    1.11289  0.555931     1.14972  0.727158 0.333793  0.933576 0.383622  
1 1 1 47 7  32 o 2.14469  0.199522  4.80859      0.855829 5.18217      1.20427  4.4274       1.21647  2.18336  0.275784  2.00096  0.303972  
1 1 1 47 7  33 o 3.56435  0.134322  13.0004      0.95754  14.6871      1.39587  11.5012      1.31599  3.74915  0.186158  3.30763  0.198932  
1 1 1 47 7  34 o 1.53462  0.287684  2.71745      0.850362 2.31135      1.18943  3.14203      1.2162   1.32532  0.408488  1.56789  0.389174  
1 1 1 47 7  35 o 0.573668 0.274274  -0.845117    0.882326 -1.1916      1.22455  -0.471014    1.27242  0.654733 0.315446  0.745021 0.347742  
1 1 1 47 7  36 o 0.626673 0.291843  -0.364444    0.88985  -1.03585     1.26973  0.283607     1.24745  0.663799 0.320156  0.812563 0.365648  
1 1 1 47 7  37 o 1.02409  0.388801  1.57842      1.09901  1.79524      1.64566  1.40389      1.47652  1.03897  0.444605  0.978843 0.42008   
1 1 1 47 7  38 o 0.666453 0.315576  -0.175444    1.12811  -2.20483     1.52424  2.28268      1.67754  0.595749 0.297875  1.00739  0.440163  
1 1 1 47 7  39 o 0.672571 0.322125  -0.122698    1.23067  -0.379407    1.8547   0.0792393    1.64498  0.725418 0.357261  0.737109 0.357286  
1 1 1 47 8  0  o 1.87276  0.212899  3.64689      0.773966 3.64689      0.773966 3.64689      0.773966 1.89208  0.146649  ?        ?         
1 1 1 47 8  1  f 11.8275  0.0935219 139.98       2.21226  141.348      3.14262  138.636      3.11476  11.8812  0.132252  11.7666  0.132356  
1 1 1 47 8  2  o 3.00488  0.0935953 9.03527      0.562485 7.75266      0.79241  10.3379      0.798574 2.78221  0.142407  3.21337  0.124258  
1 1 1 47 8  3  o 4.18815  0.0782743 17.5489      0.655648 16.5698      0.931599 18.5098      0.922916 4.06852  0.114489  4.30037  0.107307  
1 1 1 47 8  4  o 15.7892  0.116464  249.568      3.67775  248.461      5.13539  250.733      5.26943  15.7458  0.163072  15.8168  0.166577  
1 1 1 47 8  5  o 4.94369  0.0701746 24.4502      0.693843 23.7928      0.982513 25.1043      0.979976 4.87569  0.100756  5.00839  0.0978335 
1 1 1 47 8  6  o 3.6808   0.0792119 13.5559      0.583126 14.1117      0.837949 13.034       0.811993 3.75445  0.111594  3.60821  0.11252   
1 1 1 47 8  7  o 4.82388  0.0707533 23.2812      0.682611 23.4097      0.985725 23.1628      0.946204 4.83593  0.101917  4.81052  0.0983474 
1 1 1 47 8  8  o 9.65262  0.0808035 93.2365      1.55993  93.0335      2.22354  93.4333      2.18902  9.63875  0.115344  9.65967  0.113307  
1 1 1 47 8  9  o 9.35494  0.0788941 87.5743      1.4761   87.414       2.09275  87.7329      2.08232  9.34317  0.111994  9.36028  0.111232  
1 1 1 47 8  10 o 14.0807  0.106379  198.523      2.99578  195.653      4.1924   201.517      4.28239  13.9695  0.150056  14.177   0.151032  
1 1 1 47 8  11 o 1.93848  0.14326   3.76734      0.555414 3.654        0.777816 3.88525      0.793362 1.90659  0.203981  1.9661   0.20176   
1 1 1 47 8  12 o 1.93043  0.142483  3.73691      0.550105 4.03741      0.752161 3.39132      0.806624 2.0045   0.187618  1.83549  0.21973   
1 1 1 47 8  13 o 7.02652  0.0788494 49.4168      1.10807  50.1431      1.51393  48.5787      1.62619  7.07522  0.106988  6.96286  0.116776  
1 1 1 47 8  14 o 5.92726  0.0792309 35.1674      0.939243 35.2196      1.32415  35.1146      1.33247  5.92868  0.111673  5.91974  0.112545  
1 1 1 47 8  15 o 5.59521  0.079018  31.3408      0.884245 32.3559      1.2409   30.2937      1.26035  5.68222  0.109191  5.49757  0.114628  
1 1 1 47 8  16 o 4.23809  0.0822909 17.985       0.697513 18.455       0.9956   17.532       0.977513 4.29034  0.116028  4.18159  0.116883  
1 1 1 47 8  17 o 4.52442  0.0838302 20.5003      0.758566 21.1218      1.08055  19.8964      1.06516  4.58928  0.117725  4.45396  0.119575  
1 1 1 47 8  18 f 8.54924  0.0833466 73.2057      1.4251   74.1821      2.00425  72.2073      2.02673  8.59958  0.116532  8.48368  0.119448  
1 1 1 47 8  19 f 3.11088  0.109938  9.70808      0.684008 9.44905      0.917925 10.0315      1.02569  3.06504  0.149741  3.15648  0.162473  
1 1 1 47 8  20 o 0.809721 0.296976  0.546841     0.629758 1.25371      0.873143 -0.21957     0.909175 1.106    0.351595  0.728235 0.320999  
1 1 1 47 8  21 o 4.36421  0.0912493 19.0968      0.796462 18.438       1.07307  19.9048      1.18849  4.28316  0.125266  4.44874  0.133576  
1 1 1 47 8  22 o 1.0431   0.30254   1.14934      0.667919 2.05516      0.987692 0.386059     0.906661 1.37651  0.356144  0.854527 0.344444  
1 1 1 47 8  23 o 2.02033  0.18442   4.13287      0.745177 3.52123      1.04916  4.75556      1.05859  1.84908  0.283697  2.15675  0.245412  
1 1 1 47 8  24 o 1.46187  0.226923  2.18118      0.663462 2.4576       0.902928 1.85679      0.978132 1.5135   0.308982  1.30729  0.361992  
1 1 1 47 8  25 o 0.99025  0.329598  0.996468     0.76434  1.82         1.05334  0.0805959    1.11083  1.28931  0.38184   0.85272  0.365105  
1 1 1 47 8  26 o 2.48698  0.153735  6.265        0.764673 6.10504      1.05808  6.43989      1.10636  2.43955  0.216859  2.50438  0.220885  
1 1 1 47 8  27 o 1.10536  0.329437  1.32623      0.782385 1.6744       1.11603  0.98975      1.09713  1.23709  0.39793   1.04428  0.390423  
1 1 1 47 8  28 o 2.50384  0.161882  6.3795       0.810652 7.53865      1.13062  5.15313      1.16294  2.70627  0.208888  2.21944  0.261989  
1 1 1 47 8  29 o 1.53631  0.277319  2.56147      0.82092  2.63307      1.1546   2.48828      1.16741  1.51366  0.381313  1.46803  0.390646  
1 1 1 47 8  30 o 0.983164 0.341071  1.00406      0.820606 1.42012      1.15717  0.583169     1.16388  1.14637  0.404304  0.946717 0.386988  
1 1 1 47 8  31 o 0.815043 0.326399  0.469185     0.806683 0.860702     1.12005  0.0472093    1.1628   0.988739 0.388305  0.836309 0.365928  
1 1 1 47 8  32 o 2.05285  0.205772  4.42793      0.844836 5.73137      1.18904  3.09903      1.2006   2.30421  0.258015  1.60146  0.380055  
1 1 1 47 8  33 o 1.42109  0.299811  2.32781      0.825575 2.76461      1.19062  1.92332      1.14576  1.48496  0.394216  1.23934  0.403541  
1 1 1 47 8  34 o 0.967696 0.343068  1.09511      0.834161 1.83837      1.16705  0.318782     1.19273  1.18238  0.407075  0.847824 0.37079   
1 1 1 47 8  35 o 1.2622   0.339946  2.02062      0.877435 2.63055      1.22346  1.37467      1.25907  1.37438  0.412438  1.04393  0.411152  
1 1 1 47 8  36 o 1.03447  0.362425  1.48872      0.92851  0.636263     1.30012  2.37614      1.3265   0.865066 0.382254  1.21625  0.432479  
1 1 1 47 8  37 o 0.58425  0.284727  -1.1308      1.07565  -1.70149     1.57039  -0.626416    1.47636  0.66427  0.327423  0.725852 0.348889  
1 1 1 47 8  38 o 0.985233 0.391557  1.82236      1.15149  2.82824      1.64898  0.865048     1.60868  1.07407  0.451688  0.820735 0.385036  
1 1 1 47 8  39 o 0.980583 0.392821  2.11788      1.16895  1.93976      1.60029  2.32164      1.71161  0.87202  0.400281  0.90317  0.414324  
1 1 1 47 9  0  o 13.5566  0.139607  183.985      3.78429  183.985      3.78429  183.985      3.78429  13.5603  0.098678  ?        ?         
1 1 1 47 9  1  f 4.06544  0.0779488 16.536       0.633793 15.8884      0.894328 17.1895      0.898322 3.98395  0.112241  4.144    0.108388  
1 1 1 47 9  2  o 8.27558  0.0760891 68.5183      1.25936  68.21        1.8657   68.7763      1.7069   8.2545   0.113011  8.28946  0.102956  
1 1 1 47 9  3  o 7.50642  0.0718507 56.3713      1.07868  55.9013      1.55828  56.8037      1.49468  7.47321  0.104258  7.53362  0.0992008 
1 1 1 47 9  4  o 0.899474 0.26325   0.827996     0.503481 0.281663     0.694658 1.43261      0.730773 0.757259 0.303043  1.17074  0.307952  
1 1 1 47 9  5  o 5.78956  0.0671205 33.5333      0.777196 34.3374      1.14481  32.8458      1.0585   5.85717  0.0977273 5.72882  0.0923837 
1 1 1 47 9  6  o 8.49131  0.0769915 72.1459      1.30752  71.0648      1.8574   73.2079      1.84093  8.42483  0.110234  8.55116  0.107642  
1 1 1 47 9  7  o 5.12755  0.0710223 26.3058      0.728342 25.6305      1.04189  26.9513      1.01857  5.05984  0.102957  5.18884  0.0981497 
1 1 1 47 9  8  o 6.14188  0.0689924 37.7424      0.847486 37.346       1.20053  38.1362      1.19653  6.1079   0.0982771 6.17227  0.0969278 
1 1 1 47 9  9  o 5.06936  0.0705527 25.7131      0.715314 24.592       1.0081   26.85        1.01516  4.95607  0.101703  5.17883  0.0980102 
1 1 1 47 9  10 o 3.32134  0.0887193 11.0421      0.589335 12.4347      0.859749 9.80777      0.809416 3.52303  0.122019  3.12848  0.129363  
1 1 1 47 9  11 o 3.155    0.0929667 9.96572      0.586621 10.1193      0.868239 9.83669      0.795711 3.17707  0.136641  3.13292  0.126992  
1 1 1 47 9  12 o 4.66951  0.0771058 21.823       0.720093 21.5538      1.02155  22.0889      1.01521  4.63853  0.110116  4.69591  0.108095  
1 1 1 47 9  13 o 4.06723  0.085718  16.5612      0.69727  17.0042      0.961795 16.0704      1.01232  4.11922  0.116745  4.00379  0.12642   
1 1 1 47 9  14 f 2.86847  0.105696  8.24382      0.606374 8.1596       0.8628   8.32602      0.852379 2.85089  0.151321  2.88007  0.147979  
1 1 1 47 9  15 o 5.04333  0.0801098 25.4658      0.808041 25.7835      1.14743  25.1532      1.13811  5.07166  0.113122  5.00924  0.113601  
1 1 1 47 9  16 o 3.06135  0.10011   9.39092      0.612943 8.43767      0.867283 10.3422      0.866382 2.89823  0.149623  3.21004  0.134949  
1 1 1 47 9  17 o 3.54368  0.0934916 12.5816      0.662609 12.9978      0.926081 12.1451      0.948461 3.59879  0.128666  3.47798  0.136352  
1 1 1 47 9  18 o 3.9443   0.093869  15.591       0.740495 16.2851      1.03044  14.8498      1.06484  4.02745  0.127927  3.84455  0.138488  
1 1 1 47 9  19 o 4.52985  0.0883246 20.564       0.800194 20.8477      1.08261  20.2224      1.18801  4.55708  0.118783  4.4861   0.13241   
1 1 1 47 9  20 o 1.8239   0.173288  3.35687      0.632118 3.18818      0.869782 3.5457       0.92025  1.76944  0.245778  1.86591  0.246595  
1 1 1 47 9  21 o 4.27467  0.0973155 18.331       0.831983 17.9002      1.19476  18.7366      1.15925  4.21649  0.141677  4.31535  0.134317  
1 1 1 47 9  22 o 3.48245  0.112704  12.1828      0.784975 11.6096      1.12951  12.7182      1.0917   3.3903   0.166579  3.55111  0.153712  
1 1 1 47 9  23 o 3.71138  0.107812  13.8368      0.80026  13.7203      1.07913  13.9791      1.19287  3.68872  0.146275  3.72024  0.160322  
1 1 1 47 9  24 o 0.684654 0.289143  0.0750753    0.680443 0.194923     0.923852 -0.0670236   1.00597  0.81283  0.33976   0.790232 0.343047  
1 1 1 47 9  25 o 0.843835 0.317151  0.584004     0.725856 -0.181004    0.986484 1.48715      1.07185  0.758363 0.334312  1.1866   0.390309  
1 1 1 47 9  26 o 0.842259 0.318472  0.579581     0.734893 1.05299      1.01501  0.0579975    1.06541  1.04737  0.377718  0.828055 0.356153  
1 1 1 47 9  27 o 0.899586 0.333013  0.719679     0.794282 0.3197       1.12706  1.11434      1.11955  0.896599 0.375055  1.0788   0.395935  
1 1 1 47 9  28 o 0.590026 0.27381   -0.587513    0.77452  0.217587     1.09818  -1.38433     1.09251  0.861929 0.365831  0.628391 0.301577  
1 1 1 47 9  29 o 0.741561 0.314131  0.137425     0.807158 0.106052     1.13685  0.169316     1.14619  0.850266 0.366829  0.864767 0.370587  
1 1 1 47 9  30 o 1.63067  0.255579  2.81145      0.833529 2.08737      1.13836  3.64835      1.22385  1.33564  0.397236  1.79111  0.35425   
1 1 1 47 9  31 o 0.994736 0.342347  1.07327      0.825351 0.75356      1.15785  1.40353      1.17682  0.966568 0.389394  1.12545  0.40663   
1 1 1 47 9  32 o 1.40168  0.305174  2.25647      0.831697 1.48607      1.15624  3.08245      1.19722  1.12905  0.40354   1.59286  0.380482  
1 1 1 47 9  33 o 1.73421  0.24434   3.26717      0.847473 1.78195      1.19428  4.77363      1.20278  1.18941  0.411573  2.06197  0.291658  
1 1 1 47 9  34 o 0.875439 0.338817  0.803744     0.846132 0.31432      1.16156  1.35705      1.23504  0.83294  0.365083  1.04977  0.40871   
1 1 1 47 9  35 o 0.882332 0.337031  0.88256      0.829982 0.841353     1.17946  0.922981     1.16817  0.915185 0.383304  0.930432 0.385038  
1 1 1 47 9  36 o 0.52705  0.258147  -1.2566      0.918645 -1.72088     1.324    -0.825597    1.27567  0.613233 0.302014  0.673887 0.324009  
1 1 1 47 9  37 o 0.727631 0.332438  0.213622     1.08944  1.49814      1.58537  -0.935686    1.49961  0.949406 0.420484  0.687084 0.335083  
1 1 1 47 9  38 o 0.859585 0.371118  1.20752      1.1652   0.565365     1.64687  1.85118      1.64881  0.794224 0.378523  0.932536 0.419965  
1 1 1 47 9  39 o 0.602597 0.295221  -0.489577    1.20339  -0.669014    1.76343  -0.333183    1.64631  0.653034 0.32616   0.660992 0.328007  
1 1 1 47 10 0  o 6.01226  0.0983751 36.1924      1.1822   36.1924      1.1822   36.1924      1.1822   6.01414  0.0695189 ?        ?         
1 1 1 47 10 1  o 4.71236  0.0721465 22.2171      0.679961 21.8861      0.939219 22.5816      0.985682 4.67608  0.100428  4.74964  0.103764  
1 1 1 47 10 2  o 15.7488  0.11356   248.326      3.57686  248.668      5.12636  248.002      4.99315  15.7496  0.162746  15.7295  0.15872   
1 1 1 47 10 3  o 11.201   0.0882366 125.557      1.97667  123.615      2.83455  127.396      2.7579   11.1095  0.127574  11.2788  0.12226   
1 1 1 47 10 4  o 2.18885  0.115508  4.7976       0.505661 5.62878      0.725404 4.01197      0.705248 2.3697   0.153058  1.99985  0.176325  
1 1 1 47 10 5  o 1.00795  0.243316  1.06336      0.485634 0.918814     0.702874 1.1954       0.671762 0.970485 0.316068  1.07326  0.300911  
1 1 1 47 10 6  o 3.96514  0.07355   15.7315      0.583272 15.5057      0.82718  15.9548      0.822582 3.93539  0.105095  3.99207  0.103027  
1 1 1 47 10 7  o 4.66717  0.070357  21.7945      0.656736 21.3625      0.941282 22.2042      0.916734 4.61928  0.101886  4.70965  0.0973251 
1 1 1 47 10 8  o 2.65305  0.0959802 7.04622      0.50928  6.69183      0.730055 7.38215      0.710794 2.58384  0.141273  2.71429  0.130936  
1 1 1 47 10 9  o 0.641037 0.253551  0.22667      0.48072  0.262824     0.67271  0.188942     0.687202 0.741217 0.297553  0.726811 0.297274  
1 1 1 47 10 10 o 2.89967  0.0942691 8.41819      0.546698 9.30746      0.792688 7.6115       0.754986 3.04733  0.130063  2.7554   0.137001  
1 1 1 47 10 11 o 2.00099  0.131595  4.01389      0.526641 4.29682      0.755016 3.74579      0.734955 2.06793  0.182554  1.93038  0.190366  
1 1 1 47 10 12 o 4.5438   0.0777938 20.6651      0.706959 20.6947      0.984097 20.6336      1.01626  4.54504  0.108261  4.53804  0.111971  
1 1 1 47 10 13 o 2.16539  0.132981  4.70273      0.575914 4.4071       0.817974 4.99333      0.811    2.09261  0.195444  2.22839  0.18197   
1 1 1 47 10 14 o 4.99563  0.0821513 24.9871      0.820795 25.8465      1.16822  24.1492      1.15348  5.0778   0.115032  4.90799  0.117511  
1 1 1 47 10 15 o 7.97737  0.0799328 63.7193      1.27531  62.6108      1.80564  64.8226      1.80148  7.90249  0.114245  8.04126  0.112015  
1 1 1 47 10 16 o 1.91588  0.151456  3.68836      0.580345 4.02107      0.837781 3.38141      0.804683 1.99609  0.209856  1.82963  0.219903  
1 1 1 47 10 17 o 3.83782  0.0919709 14.7578      0.705935 14.3505      0.972611 15.2113      1.02623  3.78095  0.12862   3.89232  0.131828  
1 1 1 47 10 18 o 5.42457  0.086472  29.4839      0.938147 30.0892      1.27239  28.7629      1.38871  5.47569  0.116185  5.35132  0.129754  
1 1 1 47 10 19 o 4.78118  0.0859467 22.9088      0.821854 23.4879      1.1603   22.3257      1.16426  4.83639  0.119955  4.71465  0.123473  
1 1 1 47 10 20 o 4.61933  0.0871409 21.3896      0.805065 20.9079      1.10853  21.9273      1.17112  4.56173  0.121503  4.6709   0.125363  
1 1 1 47 10 21 o 2.74284  0.129343  7.56844      0.709533 8.12225      1.01316  7.03539      0.993978 2.83364  0.178773  2.63555  0.188571  
1 1 1 47 10 22 o 0.680315 0.287581  0.0623553    0.674157 -0.583961    0.886879 0.946947     1.03756  0.652669 0.29892   1.03789  0.381138  
1 1 1 47 10 23 o 1.05721  0.302331  1.18884      0.67163  1.79932      0.896286 0.40705      1.01428  1.28831  0.342047  0.893214 0.362548  
1 1 1 47 10 24 o 4.17656  0.106212  17.5383      0.887205 19.5284      1.22315  15.3288      1.28882  4.39879  0.139032  3.88973  0.16567   
1 1 1 47 10 25 o 1.74111  0.213186  3.10418      0.742362 2.96998      1.01616  3.25779      1.08714  1.65559  0.318244  1.73274  0.325685  
1 1 1 47 10 26 o 3.52573  0.120422  12.5367      0.849152 11.0825      1.17626  14.1195      1.22712  3.29832  0.178312  3.72799  0.164583  
1 1 1 47 10 27 o 3.76144  0.118066  14.2763      0.888193 14.3814      1.22084  14.1581      1.29459  3.76009  0.162341  3.72623  0.173714  
1 1 1 47 10 28 o 2.24221  0.189113  5.16182      0.84806  4.854        1.20803  5.46093      1.19083  2.14061  0.28217   2.27966  0.261185  
1 1 1 47 10 29 o 1.03925  0.342234  1.16067      0.824071 0.949451     1.17088  1.36799      1.16002  1.03404  0.398905  1.13824  0.404461  
1 1 1 47 10 30 o 1.40308  0.300487  2.19458      0.818791 3.64409      1.13222  0.60542      1.18551  1.80462  0.325606  0.953052 0.390237  
1 1 1 47 10 31 o 1.12888  0.337892  1.47641      0.821873 1.66894      1.1656   1.28603      1.15903  1.18791  0.407021  1.08602  0.402225  
1 1 1 47 10 32 o 1.23246  0.323408  1.782        0.807192 2.14284      1.16184  1.44532      1.12227  1.31016  0.403703  1.11263  0.397578  
1 1 1 47 10 33 o 2.66491  0.165626  7.402        0.882757 7.20376      1.22191  7.61841      1.27671  2.57456  0.237303  2.64391  0.241443  
1 1 1 47 10 34 o 0.9507   0.344729  1.06977      0.846469 1.8558       1.16096  0.17769      1.23681  1.17221  0.405776  0.825026 0.367876  
1 1 1 47 10 35 o 0.978653 0.360675  1.24072      0.929851 1.78602      1.2908   0.652507     1.34063  1.10505  0.42083   0.890227 0.39119   
1 1 1 47 10 36 o 1.46722  0.334178  2.87392      0.95902  0.818284     1.41197  4.63438      1.30666  0.890199 0.395216  1.8283   0.37027   
1 1 1 47 10 37 o 0.590364 0.286476  -0.812108    1.06274  -1.59615     1.45467  0.0853949    1.55637  0.621171 0.308257  0.764841 0.365339  
1 1 1 47 10 38 o 0.524656 0.26155   -1.70788     1.1084   -2.39831     1.65313  -1.14401     1.49394  0.602652 0.303291  0.644257 0.317988  
1 1 1 47 11 0  o 17.2544  0.176423  298.286      6.08671  298.286      6.08671  298.286      6.08671  17.2627  0.124675  ?        ?         
1 1 1 47 11 1  o 11.563   0.0889397 133.812      2.05681  129.758      2.80022  138.562      3.03102  11.3823  0.123008  11.7612  0.128857  
1 1 1 47 11 2  o 2.51544  0.104444  6.33468      0.525444 6.83619      0.725724 5.78212      0.761765 2.61199  0.138922  2.40147  0.158604  
1 1 1 47 11 3  o 5.75558  0.0683157 33.143       0.786392 33.0205      1.14899  33.251       1.0786   5.74332  0.100028  5.76371  0.093568  
1 1 1 47 11 4  o 6.44021  0.0722047 41.4996      0.930027 42.2237      1.36826  40.8778      1.26797  6.4941   0.105347  6.39019  0.0992122 
1 1 1 47 11 5  o 6.36153  0.0681086 40.4898      0.866549 40.5807      1.25441  40.4067      1.19847  6.36689  0.0985108 6.35351  0.0943155 
1 1 1 47 11 6  o 6.48994  0.0687264 42.142       0.892061 42.6349      1.29102  41.6916      1.23404  6.52589  0.0989153 6.45354  0.0956094 
1 1 1 47 11 7  o 7.30919  0.0744355 53.4596      1.08813  51.4788      1.59779  55.1727      1.48597  7.16955  0.111429  7.42338  0.100087  
1 1 1 47 11 8  o 4.88835  0.07349   23.9124      0.71849  25.1788      1.02172  22.6734      1.01057  5.01454  0.101876  4.75825  0.106191  
1 1 1 47 11 9  f 2.48989  0.104289  6.20873      0.519334 6.06604      0.751558 6.33913      0.718458 2.45902  0.152816  2.51427  0.142876  
1 1 1 47 11 10 o 4.75718  0.0729992 22.648       0.694541 24.3959      1.03938  21.2378      0.933577 4.93528  0.105301  4.60505  0.101365  
1 1 1 47 11 11 o 4.72489  0.0738625 22.343       0.697985 21.7233      0.99627  22.9404      0.978178 4.65675  0.10697   4.78579  0.102196  
1 1 1 47 11 12 o 2.90104  0.0992712 8.42962      0.575979 6.46766      0.800366 10.5372      0.829531 2.53794  0.15768   3.24171  0.127946  
1 1 1 47 11 13 o 7.0744   0.0774026 50.1008      1.09515  47.9864      1.48674  52.6092      1.6193   6.92004  0.107423  7.24508  0.111752  
1 1 1 47 11 14 o 2.70534  0.117012  7.33839      0.633118 6.93244      0.844949 7.85811      0.956034 2.62636  0.16086   2.7953   0.171007  
1 1 1 47 11 15 o 3.45664  0.0976905 11.972       0.675362 11.2609      0.934277 12.7502      0.977394 3.34904  0.139484  3.56386  0.137126  
1 1 1 47 11 16 o 2.09808  0.140731  4.42147      0.590531 4.76307      0.84322  4.09266      0.827282 2.17335  0.193991  2.01358  0.205425  
1 1 1 47 11 17 o 3.03837  0.110797  9.26006      0.673286 8.93758      0.891458 9.68827      1.02726  2.98128  0.149509  3.10201  0.165579  
1 1 1 47 11 18 o 1.24642  0.253868  1.63687      0.6109   0.933047     0.841388 2.42156      0.888414 0.995346 0.345356  1.51134  0.304603  
1 1 1 47 11 19 o 0.698948 0.284963  0.201783     0.629441 -0.287105    0.879212 0.715813     0.901535 0.701532 0.311609  0.943646 0.353692  
1 1 1 47 11 20 o 2.89218  0.118725  8.40439      0.68675  9.11383      1.00478  7.78243      0.940799 3.00464  0.167204  2.77616  0.169443  
1 1 1 47 11 21 o 4.66513  0.0944211 21.8331      0.880973 21.5373      1.24997  22.125       1.24183  4.62557  0.135116  4.68887  0.132424  
1 1 1 47 11 22 o 2.02443  0.167764  4.14279      0.679252 4.53307      0.924095 3.68411      1.00182  2.10963  0.219019  1.89397  0.264477  
1 1 1 47 11 23 o 2.88466  0.126185  8.37572      0.728001 8.03711      0.968132 8.81633      1.10437  2.81776  0.171791  2.94782  0.187319  
1 1 1 47 11 24 o 2.61496  0.151612  6.91701      0.79292  6.5241       1.07592  7.38409      1.17309  2.5257   0.212995  2.68547  0.218414  
1 1 1 47 11 25 o 1.00279  0.321499  1.0545       0.728927 1.41519      1.01218  0.665889     1.05061  1.15385  0.379289  0.9546   0.375702  
1 1 1 47 11 26 o 2.66743  0.152471  7.21577      0.813411 6.49289      1.1066   8.0654       1.19971  2.51109  0.220343  2.80093  0.214162  
1 1 1 47 11 27 o 1.68404  0.226906  2.93583      0.764238 2.75969      1.05648  3.12918      1.10687  1.57167  0.345472  1.67816  0.341644  
1 1 1 47 11 28 o 0.943375 0.337356  0.87214      0.808171 1.28259      1.1184   0.423596     1.16914  1.11238  0.396951  0.92128  0.383464  
1 1 1 47 11 29 o 0.793458 0.320723  0.389025     0.789178 1.00198      1.09786  -0.266346    1.13521  1.0287   0.389169  0.782405 0.350558  
1 1 1 47 11 30 o 0.573967 0.270985  -0.820585    0.825738 -0.65236     1.19604  -0.973795    1.14141  0.74263  0.342947  0.683135 0.321372  
1 1 1 47 11 31 o 0.823222 0.329791  0.517794     0.823947 -0.249061    1.1565   1.30827      1.17418  0.7749   0.350197  1.08863  0.404513  
1 1 1 47 11 32 o 0.979353 0.338712  1.07871      0.808766 0.142081     1.14305  2.01769      1.14449  0.825655 0.362024  1.26809  0.402477  
1 1 1 47 11 33 f 1.29593  0.328952  2.04466      0.854403 1.46666      1.15286  2.74895      1.27261  1.08727  0.40146   1.43002  0.418528  
1 1 1 47 11 34 o 0.946166 0.34311   1.06599      0.838552 1.08384      1.17595  1.04753      1.19609  0.977137 0.392933  0.970896 0.393854  
1 1 1 47 11 35 o 1.74917  0.268242  3.60335      0.938401 4.90575      1.3616   2.42506      1.2951   1.90794  0.37003   1.24339  0.428754  
1 1 1 47 11 36 o 0.560842 0.27151   -0.951308    0.942146 -0.698836    1.41916  -1.15027     1.25982  0.711325 0.341945  0.635668 0.30949   
1 1 1 47 11 37 o 0.888127 0.373455  1.3034       1.12706  -0.753101    1.5812   3.42729      1.6069   0.690826 0.338437  1.21352  0.467485  
1 1 1 47 11 38 o 0.726363 0.331894  0.50439      1.0862   1.17655      1.55606  -0.13438     1.51692  0.829444 0.38614   0.705168 0.342208  
1 1 1 47 12 0  o 10.3445  0.115918  107.127      2.39754  107.127      2.39754  107.127      2.39754  10.3473  0.0819319 ?        ?         
1 1 1 47 12 1  o 1.63907  0.158274  2.69393      0.518845 2.77138      0.714324 2.60744      0.754867 1.66054  0.215088  1.60991  0.234444  
1 1 1 47 12 2  o 15.2441  0.114628  232.719      3.49479  229.047      4.87395  236.605      5.01377  15.1126  0.161255  15.3593  0.163216  
1 1 1 47 12 3  o 2.73577  0.0964287 7.49226      0.527614 6.94074      0.736309 8.07431      0.756416 2.63164  0.139896  2.8387   0.133233  
1 1 1 47 12 4  f 19.7743  0.139599  391.893      5.52095  387.204      7.64706  396.997      7.97913  19.6348  0.194732  19.8789  0.200693  
1 1 1 47 12 5  o 7.62851  0.071177  58.229       1.08595  57.6508      1.54656  58.7914      1.52519  7.58814  0.101907  7.66305  0.0995158 
1 1 1 47 12 6  o 0.951909 0.246348  0.947349     0.472498 0.680196     0.667328 1.21592      0.6691   0.873767 0.307144  1.08044  0.299468  
1 1 1 47 12 7  o 8.90757  0.0781483 79.408       1.39222  77.1441      1.94362  81.7935      1.9952   8.77615  0.110733  9.03679  0.110393  
1 1 1 47 12 8  o 7.23032  0.0727772 52.3156      1.0524   51.5925      1.5134   52.9928      1.46446  7.17729  0.10543   7.27453  0.100656  
1 1 1 47 12 9  o 2.81711  0.0943378 7.9463       0.531521 7.78453      0.759    8.10199      0.744574 2.78633  0.136201  2.84287  0.130955  
1 1 1 47 12 10 o 3.87702  0.0762398 15.0445      0.591166 14.6252      0.84624  15.4441      0.82619  3.82071  0.110744  3.92657  0.105205  
1 1 1 47 12 11 o 3.14613  0.0911643 9.91159      0.573631 11.8376      0.864085 8.39397      0.767032 3.4361   0.125736  2.89305  0.132565  
1 1 1 47 12 12 o 6.83669  0.0764768 46.7888      1.0457   45.545       1.56575  47.7902      1.40496  6.74061  0.116143  6.90669  0.10171   
1 1 1 47 12 13 o 3.59148  0.0883231 12.918       0.634422 12.8067      0.904778 13.0257      0.889825 3.57317  0.126607  3.60387  0.123454  
1 1 1 47 12 14 o 2.40207  0.121383  5.78729      0.583142 6.96713      0.830032 4.63735      0.819445 2.63291  0.157627  2.14553  0.190966  
1 1 1 47 12 15 f 3.39328  0.098587  11.5387      0.669066 11.3913      0.922881 11.7019      0.971386 3.36828  0.136996  3.41335  0.142292  
1 1 1 47 12 16 o 1.62885  0.17598   2.67286      0.573289 2.82509      0.807772 2.51836      0.813767 1.66912  0.241976  1.57437  0.258442  
1 1 1 47 12 17 o 0.896543 0.288899  0.803344     0.588051 0.993164     0.828575 0.610699     0.834718 1.01301  0.343168  0.895706 0.339198  
1 1 1 47 12 18 o 0.912254 0.2898    0.841876     0.593272 0.497322     0.843988 1.17842      0.834127 0.865303 0.337665  1.07501  0.343843  
1 1 1 47 12 19 o 3.87672  0.0994068 15.0764      0.770744 14.083       1.10843  16.0065      1.07245  3.73945  0.148208  3.98915  0.134421  
1 1 1 47 12 20 o 3.39019  0.105945  11.54        0.718345 11.4331      0.963941 11.6734      1.07727  3.3688   0.143069  3.4012   0.158366  
1 1 1 47 12 21 o 2.91802  0.123031  8.5616       0.718017 8.53755      0.948675 8.59385      1.0986   2.90778  0.163127  2.91263  0.188593  
1 1 1 47 12 22 o 3.019    0.128475  9.17426      0.775732 9.37611      1.0247   8.90329      1.18726  3.04484  0.168269  2.96011  0.200543  
1 1 1 47 12 23 o 2.50029  0.142516  6.3108       0.712661 7.14276      0.969837 5.33428      1.05073  2.65199  0.182851  2.28156  0.230265  
1 1 1 47 12 24 o 0.680358 0.289989  0.0415594    0.695199 0.621974     0.933595 -0.680864    1.04156  0.914362 0.355481  0.699814 0.321945  
1 1 1 47 12 25 o 0.626578 0.28065   -0.266021    0.72708  -1.10116     0.97041  0.802837     1.09783  0.612589 0.291307  0.99834  0.386027  
1 1 1 47 12 26 o 2.87791  0.141299  8.38702      0.813288 8.97065      1.10954  7.70934      1.1956   2.96209  0.18729   2.73513  0.218564  
1 1 1 47 12 27 o 2.65982  0.151231  7.19327      0.804497 8.73702      1.12213  5.56061      1.15399  2.91669  0.192365  2.30595  0.250221  
1 1 1 47 12 28 o 2.70147  0.156811  7.4354       0.847238 7.87225      1.14155  6.89966      1.26416  2.76086  0.206737  2.56773  0.246164  
1 1 1 47 12 29 o 1.49046  0.280196  2.43695      0.804532 1.82265      1.1328   3.06218      1.14283  1.25556  0.400612  1.63362  0.359502  
1 1 1 47 12 30 o 1.91565  0.215776  3.85072      0.8267   4.53559      1.18587  3.2032       1.15308  2.04057  0.290572  1.65628  0.358234  
1 1 1 47 12 31 o 1.4073   0.306167  2.27589      0.837702 1.77196      1.14186  2.86323      1.23273  1.20739  0.402854  1.52001  0.400036  
1 1 1 47 12 32 o 2.5918   0.1718    7.00197      0.890541 6.94733      1.24852  7.05857      1.2706   2.52762  0.246974  2.54562  0.249567  
1 1 1 47 12 33 o 0.629715 0.290111  -0.361891    0.849272 0.0939218    1.13598  -0.939497    1.27877  0.791511 0.352757  0.699113 0.333278  
1 1 1 47 12 34 o 0.836512 0.334098  0.697144     0.842133 1.29154      1.19833  0.117159     1.18371  1.01585  0.400789  0.794123 0.356833  
1 1 1 47 12 35 o 0.73739  0.325347  0.281276     0.937024 0.21816      1.36137  0.338096     1.29168  0.80992  0.370693  0.81418  0.368909  
1 1 1 47 12 36 o 0.720527 0.318973  0.31888      0.910941 0.234958     1.32935  0.393175     1.25077  0.781368 0.361111  0.790634 0.359725  
1 1 1 47 12 37 o 0.65866  0.313961  -0.168354    1.13406  0.515334     1.62576  -0.816319    1.58272  0.784074 0.374256  0.676744 0.33334   
1 1 1 47 12 38 o 0.693134 0.323761  0.481135     1.10553  0.017626     1.62313  0.882243     1.50992  0.688983 0.339227  0.751006 0.358997  
1 1 1 47 13 0  o 17.1437  0.183909  294.588      6.30413  294.588      6.30413  294.588      6.30413  17.1536  0.129951  ?        ?         
1 1 1 47 13 1  o 6.67335  0.0756945 44.5636      1.01027  43.067       1.41148  46.1357      1.44665  6.55807  0.107614  6.78778  0.106563  
1 1 1 47 13 2  o 7.64735  0.0719524 58.5178      1.10049  56.9519      1.55686  60.0816      1.55579  7.54186  0.103215  7.74658  0.100418  
1 1 1 47 13 3  o 3.38776  0.0794673 11.4857      0.538433 11.8092      0.766961 11.1713      0.756073 3.43385  0.111677  3.33975  0.113193  
1 1 1 47 13 4  o 5.15955  0.0684544 26.6365      0.706387 27.6332      1.00455  25.6615      0.993503 5.25373  0.0956038 5.06268  0.0981203 
1 1 1 47 13 5  o 3.88625  0.0726927 15.1132      0.565004 15.0994      0.788964 15.1278      0.809503 3.8832   0.101587  3.88671  0.104137  
1 1 1 47 13 6  o 4.06942  0.0799887 16.5745      0.651014 17.8313      1.00741  15.6733      0.853067 4.21864  0.1194    3.95584  0.107824  
1 1 1 47 13 7  o 3.29295  0.082978  10.854       0.546485 10.0772      0.749145 11.7375      0.79895  3.17135  0.118111  3.42273  0.116713  
1 1 1 47 13 8  o 8.07643  0.0769208 65.2851      1.24249  66.1256      1.79868  64.5179      1.71836  8.12445  0.110696  8.02554  0.107056  
1 1 1 47 13 9  o 7.34381  0.0742574 53.9771      1.09067  52.6586      1.56423  55.2247      1.52152  7.25009  0.107877  7.4253   0.102455  
1 1 1 47 13 10 o 9.16998  0.0835706 84.1847      1.53268  82.9341      2.29841  85.1862      2.05674  9.09481  0.126359  9.22016  0.111535  
1 1 1 47 13 11 f 1.70086  0.151884  2.90472      0.516666 2.23894      0.746886 3.51567      0.715477 1.46517  0.264565  1.86894  0.191413  
1 1 1 47 13 12 o 4.38505  0.0779569 19.2508      0.68369  17.9209      0.969439 20.5668      0.964348 4.22804  0.114644  4.5302   0.106435  
1 1 1 47 13 13 f 4.87175  0.0767808 23.7622      0.748114 24.2806      1.07764  23.28        1.03938  4.92161  0.109481  4.8193   0.107835  
1 1 1 47 13 14 o 3.35695  0.0951859 11.2909      0.63907  10.6361      0.909988 11.9281      0.897699 3.25458  0.139801  3.44755  0.130194  
1 1 1 47 13 15 o 6.68507  0.0881736 44.7712      1.17889  47.4722      1.69945  42.2659      1.63674  6.8778   0.123546  6.48922  0.126112  
1 1 1 47 13 16 f 4.19371  0.0918414 17.6258      0.770312 17.5726      1.08882  17.6791      1.08996  4.18281  0.130153  4.1955   0.129896  
1 1 1 47 13 17 o 1.30227  0.24547   1.77911      0.615925 2.23245      0.889098 1.3608       0.854056 1.44672  0.316002  1.14114  0.345028  
1 1 1 47 13 18 o 2.36819  0.135952  5.64037      0.643919 5.52299      0.934868 5.74632      0.8882   2.33563  0.200132  2.38434  0.186257  
1 1 1 47 13 19 o 2.02346  0.157677  4.1292       0.638105 4.24904      0.907967 4.01225      0.896966 2.04399  0.222107  1.98565  0.225862  
1 1 1 47 13 20 o 1.32906  0.250686  1.86182      0.641982 1.57087      0.901073 2.16176      0.914884 1.21199  0.35136   1.41604  0.329028  
1 1 1 47 13 21 o 2.70326  0.130406  7.35567      0.705041 7.13719      0.931165 7.64919      1.07932  2.65579  0.175308  2.74525  0.196579  
1 1 1 47 13 22 o 2.32227  0.158035  5.4479       0.734001 5.29688      0.940313 5.68344      1.17432  2.28159  0.206066  2.35396  0.249435  
1 1 1 47 13 23 o 2.99887  0.12562   9.06438      0.753435 9.2088       1.04612  8.90874      1.08604  3.01202  0.173657  2.96     0.183453  
1 1 1 47 13 24 f 2.31335  0.156175  5.42405      0.722577 5.6525       0.97195  5.14179      1.08039  2.34964  0.20683   2.23138  0.242089  
1 1 1 47 13 25 o 0.963883 0.323501  0.948518     0.736325 2.37932      1.03375  -0.524997    1.04906  1.46015  0.356577  0.722306 0.328853  
1 1 1 47 13 26 o 0.83016  0.315749  0.561903     0.72591  0.726289     0.998301 0.377466     1.05743  0.94942  0.367905  0.885078 0.366306  
1 1 1 47 13 27 o 1.20536  0.314716  1.61733      0.766819 2.27727      1.04271  0.840028     1.13163  1.41341  0.36604   1.00262  0.391046  
1 1 1 47 13 28 o 2.10496  0.190715  4.56033      0.802895 4.1492       1.08734  5.05327      1.1906   1.97783  0.274881  2.18373  0.272608  
1 1 1 47 13 29 o 1.31885  0.310354  1.95746      0.805907 1.71615      1.13153  2.2059       1.1481   1.22152  0.401028  1.36746  0.396666  
1 1 1 47 13 30 o 0.806051 0.325597  0.456283     0.812591 0.922004     1.14104  -0.0229711   1.15749  0.994046 0.391438  0.813167 0.359825  
1 1 1 47 13 31 o 0.709479 0.308735  0.0554857    0.818492 0.109644     1.10505  -0.0103371   1.21825  0.812696 0.356152  0.8247   0.366499  
1 1 1 47 13 32 o 0.661011 0.29977   -0.22639     0.854726 -1.41932     1.15109  1.23964      1.27607  0.620549 0.300362  1.05086  0.413907  
1 1 1 47 13 33 o 0.758461 0.318704  0.373525     0.819847 -0.211851    1.14389  0.991839     1.17564  0.74525  0.340553  0.96163  0.390321  
1 1 1 47 13 34 o 1.01889  0.355136  1.36528      0.890571 0.179763     1.25813  2.55582      1.26079  0.807234 0.36501   1.30998  0.423109  
1 1 1 47 13 35 o 1.41954  0.330589  2.67912      0.921937 2.25619      1.39231  3.00935      1.2303   1.15591  0.437978  1.39727  0.412336  
1 1 1 47 13 36 o 0.72103  0.324285  0.361679     0.979866 -1.41143     1.42059  1.97086      1.35333  0.629372 0.310507  1.02161  0.417399  
1 1 1 47 13 37 o 0.591009 0.287723  -0.795177    1.088    -0.336663    1.59694  -1.19238     1.48634  0.718613 0.34948   0.642328 0.31707   
1 1 1 47 14 0  o 8.88009  0.109055  78.9518      1.93618  78.9518      1.93618  78.9518      1.93618  8.88278  0.077077  ?        ?         
1 1 1 47 14 1  o 4.37868  0.0751828 19.1868      0.658403 18.5531      0.931494 19.8194      0.930751 4.30408  0.10821   4.44876  0.104608  
1 1 1 47 14 2  o 5.72416  0.0688692 32.7863      0.788436 32.1409      1.12432  33.4108      1.10594  5.66565  0.0992224 5.77675  0.0957236 
1 1 1 47 14 3  f 6.05197  0.0670022 36.6482      0.810991 37.2186      1.17021  36.121       1.12496  6.09697  0.0959666 6.00657  0.0936438 
1 1 1 47 14 4  o 2.57339  0.0936163 6.63027      0.481822 6.17695      0.654468 7.16673      0.711956 2.4824   0.131822  2.67384  0.133134  
1 1 1 47 14 5  o 6.87116  0.0737582 47.2488      1.01361  46.6693      1.4622   47.785       1.40635  6.826    0.107106  6.90764  0.101796  
1 1 1 47 14 6  o 4.46557  0.0716116 19.956       0.639573 19.4259      0.869209 20.5818      0.944455 4.40438  0.0986754 4.53316  0.104172  
1 1 1 47 14 7  o 8.48832  0.0784169 72.1176      1.33126  71.668       1.91173  72.5408      1.85492  8.45757  0.113019  8.50948  0.108991  
1 1 1 47 14 8  o 1.60122  0.148757  2.57277      0.476386 2.29771      0.649058 2.89398      0.701406 1.51032  0.214874  1.69545  0.20685   
1 1 1 47 14 9  o 4.52041  0.0746074 20.453       0.674512 19.7681      0.967215 21.1014      0.941127 4.44173  0.108878  4.58959  0.102528  
1 1 1 47 14 10 o 2.23029  0.112554  4.98538      0.502055 4.55971      0.723711 5.38028      0.697065 2.12986  0.169896  2.31486  0.150563  
1 1 1 47 14 11 o 1.88214  0.13569   3.55481      0.510777 4.11072      0.784434 3.14564      0.672998 2.02028  0.19414   1.76753  0.190378  
1 1 1 47 14 12 o 9.20367  0.0853157 84.8315      1.57043  83.4653      2.28243  86.0598      2.16415  9.12165  0.125111  9.26419  0.116802  
1 1 1 47 14 13 o 4.1814   0.080321  17.5079      0.671708 15.8551      0.957465 19.1096      0.942587 3.97582  0.120411  4.36614  0.107943  
1 1 1 47 14 14 o 2.2022   0.126892  4.86754      0.558885 4.16879      0.793866 5.55417      0.786945 2.03295  0.19525   2.34923  0.16749   
1 1 1 47 14 15 o 2.7133   0.111799  7.38524      0.606687 7.11178      0.85918  7.65718      0.856796 2.65807  0.161617  2.75881  0.155284  
1 1 1 47 14 16 o 2.40834  0.136563  5.83034      0.657781 4.88804      0.90725  6.87461      0.955078 2.19794  0.206386  2.60986  0.182975  
1 1 1 47 14 17 o 2.26903  0.147657  5.18226      0.670076 5.55633      0.956189 4.82128      0.939297 2.3426   0.204087  2.18063  0.215373  
1 1 1 47 14 18 o 7.54091  0.085798  57.0022      1.29399  55.431       1.75378  58.8795      1.91706  7.42807  0.118051  7.65343  0.125242  
1 1 1 47 14 19 f 1.01508  0.290279  1.08908      0.619156 1.77004      0.880212 0.422157     0.871095 1.28088  0.338461  0.851513 0.339887  
1 1 1 47 14 20 o 1.21273  0.265508  1.56531      0.626316 2.09898      0.883809 1.02694      0.887694 1.39585  0.322776  1.02928  0.354963  
1 1 1 47 14 21 o 2.68515  0.137145  7.26411      0.736508 6.05074      0.947605 9.11548      1.17052  2.44146  0.194065  2.99635  0.195324  
1 1 1 47 14 22 o 2.82925  0.125134  8.06325      0.708071 7.7256       0.948422 8.48845      1.06429  2.76056  0.171781  2.89074  0.184086  
1 1 1 47 14 23 o 4.17468  0.102134  17.5214      0.852752 17.6844      1.16282  17.3316      1.25432  4.18455  0.138942  4.13874  0.151534  
1 1 1 47 14 24 o 1.41848  0.273964  2.16167      0.749486 2.23734      1.02316  2.07406      1.10098  1.41674  0.360189  1.36085  0.386425  
1 1 1 47 14 25 o 1.25176  0.301089  1.71734      0.745694 1.98592      1.02227  1.41192      1.09014  1.33037  0.370623  1.15572  0.393625  
1 1 1 47 14 26 o 2.22248  0.172544  5.0444       0.766949 5.44593      1.04892  4.58312      1.12426  2.29128  0.228894  2.08758  0.269273  
1 1 1 47 14 27 o 1.94309  0.203019  3.89411      0.788969 3.92812      1.08585  3.85607      1.14831  1.92442  0.282124  1.89861  0.302408  
1 1 1 47 14 28 o 1.04717  0.329811  1.21083      0.769793 1.27294      1.06434  1.14271      1.11471  1.09356  0.387539  1.06557  0.394497  
1 1 1 47 14 29 f 1.41092  0.306237  2.24747      0.839907 3.33098      1.14268  0.974145     1.23874  1.70208  0.347692  1.03431  0.407674  
1 1 1 47 14 30 o 2.74373  0.156275  7.75029      0.857553 6.86574      1.1771   8.75081      1.25188  2.53949  0.231758  2.8774   0.217537  
1 1 1 47 14 31 f 2.11146  0.201537  4.70256      0.851077 5.51938      1.2082   3.89807      1.19906  2.2416   0.269496  1.81707  0.342483  
1 1 1 47 14 32 o 0.757985 0.32585   0.24299      0.891036 0.323812     1.17799  0.134911     1.36222  0.846828 0.369438  0.858384 0.384322  
1 1 1 47 14 33 o 1.41532  0.31411   2.44297      0.865697 1.83765      1.15208  3.22801      1.31201  1.16263  0.404052  1.52663  0.417727  
1 1 1 47 14 34 o 0.791875 0.336503  0.523933     0.931115 0.00632556   1.35322  0.989335     1.28316  0.792323 0.365473  0.928514 0.394812  
1 1 1 47 14 35 o 1.57743  0.31204   3.21305      0.949418 3.65978      1.41386  2.84618      1.28127  1.49246  0.442462  1.32137  0.426506  
1 1 1 47 14 36 o 0.634153 0.303885  -0.423689    1.09889  -1.10542     1.59212  0.196536     1.5186   0.671588 0.330747  0.762292 0.363347  
1 1 1 47 14 37 o 0.664477 0.314623  -0.0600976   1.12117  0.162504     1.52668  -0.320697    1.65185  0.738318 0.354858  0.713109 0.348547  
1 1 1 47 15 0  o 4.61504  0.105247  21.3482      0.970295 21.3482      0.970295 21.3482      0.970295 4.61773  0.0743335 ?        ?         
1 1 1 47 15 1  o 6.07389  0.0687167 36.9164      0.834755 34.8911      1.16674  39.0404      1.19481  5.90283  0.0988285 6.24423  0.0956731 
1 1 1 47 15 2  o 6.35641  0.0697586 40.4316      0.886829 41.5074      1.30135  39.4989      1.21177  6.43798  0.101068  6.28068  0.0964679 
1 1 1 47 15 3  o 2.86272  0.0902137 8.2047       0.516514 8.36509      0.724478 8.0389       0.736594 2.88899  0.125386  2.83186  0.130055  
1 1 1 47 15 4  o 3.13761  0.0835934 9.85458      0.524567 9.57964      0.714227 10.1766      0.772947 3.09208  0.115493  3.18665  0.121279  
1 1 1 47 15 5  o 11.7633  0.0922166 138.55       2.16954  138.344      3.08537  138.751      3.0513   11.7468  0.131329  11.7644  0.129683  
1 1 1 47 15 6  o 4.50491  0.0718039 20.3103      0.646941 19.5265      0.891511 21.1821      0.940258 4.41538  0.100955  4.59867  0.102231  
1 1 1 47 15 7  o 5.44244  0.0713655 29.6445      0.776805 28.4864      1.04677  31.0639      1.1589   5.33309  0.0981391 5.5686   0.104057  
1 1 1 47 15 8  o 7.35233  0.0760185 54.1099      1.11783  53.3586      1.6102   54.8088      1.55304  7.29709  0.110332  7.39631  0.104987  
1 1 1 47 15 9  o 3.51852  0.0876121 12.3971      0.61653  12.7085      0.802444 11.9484      0.963219 3.56082  0.112677  3.45057  0.139574  
1 1 1 47 15 10 o 2.63874  0.104934  6.97761      0.553787 7.44399      0.692494 6.15022      0.922364 2.72417  0.127102  2.47176  0.18658   
1 1 1 47 15 11 o 7.17897  0.0740549 51.5946      1.06328  51.1803      1.54426  51.968       1.46617  7.14568  0.108056  7.20141  0.101798  
1 1 1 47 15 12 f 2.62893  0.100588  6.92598      0.528878 6.64007      0.774037 7.17634      0.724327 2.57076  0.150546  2.67375  0.135451  
1 1 1 47 15 13 o 1.51753  0.169049  2.31776      0.513073 1.96506      0.770312 2.59899      0.687859 1.36342  0.291052  1.60386  0.214439  
1 1 1 47 15 14 o 5.09667  0.0813457 26.0186      0.829185 24.5012      1.12935  27.7931      1.22133  4.94192  0.114262  5.26318  0.116026  
1 1 1 47 15 15 f 4.38959  0.0932671 19.3146      0.818808 18.7654      1.15424  19.8709      1.16173  4.32141  0.133549  4.44735  0.13061   
1 1 1 47 15 16 o 6.24163  0.088434  39.0477      1.10394  40.3058      1.60639  37.9218      1.51965  6.3338   0.126811  6.14433  0.123662  
1 1 1 47 15 17 o 3.58247  0.097294  12.8726      0.697106 12.4719      0.962227 13.3153      1.01132  3.52104  0.13664   3.63777  0.139002  
1 1 1 47 15 18 o 2.15619  0.147502  4.68479      0.636085 4.4924       0.925719 4.85686      0.8755   2.10152  0.220249  2.18835  0.200036  
1 1 1 47 15 19 o 2.79869  0.119594  7.87274      0.669412 7.60994      0.913873 8.177        0.983319 2.7449   0.166467  2.84423  0.172862  
1 1 1 47 15 20 o 2.51738  0.145097  6.38956      0.730525 5.95514      1.00061  6.88541      1.06902  2.4201   0.206729  2.60255  0.205379  
1 1 1 47 15 21 o 2.83084  0.130617  8.07043      0.73951  7.21721      0.960153 9.31466      1.15947  2.66843  0.17991   3.0288   0.191406  
1 1 1 47 15 22 o 3.15129  0.116808  9.99859      0.736189 10.8888      1.00359  8.96148      1.08323  3.2807   0.152953  2.96899  0.182424  
1 1 1 47 15 23 o 2.09431  0.165893  4.45298      0.694863 4.58955      0.947604 4.29413      1.02198  2.11299  0.224233  2.03689  0.250866  
1 1 1 47 15 24 o 0.63847  0.28081   -0.126509    0.692065 -0.374456    0.927614 0.184764     1.03934  0.696501 0.31426   0.842722 0.356696  
1 1 1 47 15 25 o 1.00299  0.323999  1.06422      0.73929  0.898061     1.02734  1.24267      1.06469  1.00159  0.377138  1.10151  0.38788   
1 1 1 47 15 26 o 1.39023  0.2828    2.11143      0.758997 3.28569      1.03493  0.744838     1.11647  1.72994  0.310384  0.977494 0.386477  
1 1 1 47 15 27 o 0.807747 0.319263  0.463363     0.761679 -0.0345499   1.04059  1.03803      1.11792  0.792239 0.346409  1.04681  0.393562  
1 1 1 47 15 28 o 1.50766  0.271938  2.48214      0.790014 1.63516      1.07276  3.4858       1.16777  1.19826  0.390475  1.75411  0.345164  
1 1 1 47 15 29 o 0.877614 0.32792   0.736144     0.77375  1.04282      1.07105  0.401383     1.11902  1.01587  0.384368  0.881069 0.371381  
1 1 1 47 15 30 o 2.26028  0.186937  5.3313       0.84506  6.16645      1.18555  4.4687       1.20487  2.39338  0.247673  2.00403  0.300612  
1 1 1 47 15 31 o 0.982689 0.34525   1.10366      0.843091 1.23736      1.15887  0.953322     1.22882  1.04666  0.3987    0.990719 0.400311  
1 1 1 47 15 32 o 1.81735  0.243116  3.65574      0.883655 5.52497      1.21925  1.58753      1.2825   2.20256  0.27678   1.1045   0.419808  
1 1 1 47 15 33 o 2.06207  0.214599  4.65044      0.885038 4.60439      1.17898  4.70989      1.33962  1.97382  0.298654  1.9166   0.362674  
1 1 1 47 15 34 o 0.497324 0.245967  -1.55788     0.905397 -0.237556    1.33504  -2.68227     1.23201  0.750222 0.35174   0.528523 0.265649  
1 1 1 47 15 35 o 1.27292  0.35417   2.33139      0.934105 3.20675      1.35817  1.54564      1.28676  1.36573  0.438949  0.988498 0.405958  
1 1 1 47 15 36 o 0.762631 0.346444  0.622376     1.15022  0.95184      1.55361  0.22274      1.71108  0.826209 0.385098  0.767685 0.370605  
1 1 1 47 15 37 o 0.623594 0.301551  -0.289547    1.14981  -0.583721    1.53453  0.0870577    1.73626  0.653309 0.322414  0.71464  0.351533  
1 1 1 47 16 0  o 6.84788  0.10681   46.9673      1.46204  46.9673      1.46204  46.9673      1.46204  6.85056  0.0754757 ?        ?         
1 1 1 47 16 1  o 3.15316  0.0897887 9.95435      0.566236 9.92923      0.813287 9.97798      0.788831 3.14712  0.129211  3.15509  0.125009  
1 1 1 47 16 2  o 2.46374  0.105838  6.08022      0.521515 5.71829      0.735424 6.44634      0.739662 2.387    0.154048  2.53488  0.145897  
1 1 1 47 16 3  o 9.24382  0.0795005 85.5303      1.46978  85.6584      2.14395  85.4168      2.01884  9.24562  0.115944  9.23363  0.10932   
1 1 1 47 16 4  o 4.98908  0.0692714 24.9096      0.691202 24.943       0.995631 24.8785      0.960338 4.99038  0.0997551 4.98419  0.0963384 
1 1 1 47 16 5  o 2.44938  0.0938958 6.00799      0.459973 6.76044      0.655045 5.27607      0.646049 2.59673  0.126129  2.29327  0.140857  
1 1 1 47 16 6  o 3.89515  0.0725869 15.1856      0.565473 15.8618      0.793758 14.4887      0.805777 3.97935  0.0997347 3.80279  0.105946  
1 1 1 47 16 7  o 5.1344   0.0772417 26.3897      0.79318  25.6413      1.12282  27.1352      1.12064  5.05822  0.110989  5.20382  0.107675  
1 1 1 47 16 8  o 4.68293  0.0810263 21.9563      0.758881 21.4296      1.07621  22.4773      1.07026  4.62344  0.116386  4.73545  0.113005  
1 1 1 47 16 9  o 1.72852  0.172194  3.00495      0.59528  3.42029      0.853335 2.61124      0.830821 1.83984  0.231905  1.60556  0.258733  
1 1 1 47 16 10 o 3.45161  0.0966902 11.9362      0.667474 11.7496      0.954399 12.1148      0.93384  3.42106  0.139489  3.47432  0.134392  
1 1 1 47 16 11 o 7.24165  0.0858745 52.523       1.24375  52.1958      1.77035  52.8418      1.74771  7.21332  0.122714  7.25824  0.120395  
1 1 1 47 16 12 o 2.23623  0.138343  5.02227      0.618731 4.61929      0.882766 5.41141      0.867471 2.13906  0.206344  2.31715  0.187184  
1 1 1 47 16 13 o 3.90109  0.0798424 15.2423      0.622945 15.9175      0.923378 14.6782      0.843928 3.98314  0.115911  3.82554  0.110302  
1 1 1 47 16 14 o 7.08496  0.0839122 50.2923      1.18903  49.7081      1.68776  50.8681      1.67539  7.03683  0.119924  7.11897  0.117671  
1 1 1 47 16 15 o 3.93434  0.0931262 15.518       0.732781 16.2957      1.07705  14.8477      0.999864 4.02644  0.133748  3.84393  0.130058  
1 1 1 47 16 16 o 1.32124  0.211477  1.76994      0.558824 1.46493      0.807286 2.05056      0.774336 1.17345  0.330153  1.38951  0.28829   
1 1 1 47 16 17 o 3.89029  0.093408  15.1793      0.726768 15.2522      1.01853  15.1036      1.03734  3.89399  0.130783  3.87442  0.13387   
1 1 1 47 16 18 o 2.0756   0.150694  4.34327      0.625561 4.31215      0.861548 4.37798      0.909774 2.06032  0.209081  2.07438  0.219289  
1 1 1 47 16 19 o 1.05564  0.284762  1.18743      0.615086 0.80607      0.801248 1.73463      0.959785 0.940331 0.335944  1.26821  0.361014  
1 1 1 47 16 20 o 3.22503  0.120971  10.4618      0.780273 12.1915      1.08378  8.60043      1.12428  3.47461  0.155957  2.91081  0.193121  
1 1 1 47 16 21 o 0.673603 0.286598  0.0440008    0.676898 -0.0251205   0.950786 0.115043     0.963906 0.774587 0.334839  0.807874 0.342805  
1 1 1 47 16 22 o 1.13216  0.296954  1.38886      0.680738 1.05563      0.91457  1.80281      1.01935  1.0335   0.359921  1.28086  0.374479  
1 1 1 47 16 23 o 0.825158 0.31418   0.540892     0.719345 1.83679      0.935334 -1.3354      1.12546  1.28748  0.352885  0.650858 0.310841  
1 1 1 47 16 24 f 1.54444  0.236803  2.46857      0.731454 1.37724      0.98529  3.80846      1.09175  1.1348   0.374217  1.90285  0.286871  
1 1 1 47 16 25 o 1.44349  0.260713  2.24192      0.725115 2.01019      0.989237 2.51101      1.066    1.33383  0.361726  1.49022  0.360965  
1 1 1 47 16 26 o 2.69378  0.149295  7.3792       0.804335 6.81076      1.0761   8.09881      1.21077  2.56725  0.209583  2.79648  0.216481  
1 1 1 47 16 27 o 0.853225 0.324813  0.624846     0.768755 -0.273177    1.04814  1.67035      1.13094  0.750187 0.336466  1.21363  0.400923  
1 1 1 47 16 28 o 2.00343  0.203771  4.17441      0.816479 5.41408      1.11075  2.7172       1.20427  2.26222  0.2455    1.5112   0.394318  
1 1 1 47 16 29 o 1.71577  0.234832  3.13429      0.805835 3.08873      1.09642  3.18781      1.18837  1.62261  0.347908  1.63292  0.372053  
1 1 1 47 16 30 o 1.97415  0.211037  4.12387      0.833238 5.85622      1.19131  2.46475      1.16586  2.32188  0.25654   1.40322  0.397389  
1 1 1 47 16 31 o 0.742424 0.317269  0.23271      0.83599  0.927468     1.1326   -0.598845    1.2391   0.962433 0.386201  0.734602 0.342987  
1 1 1 47 16 32 o 1.20662  0.334596  1.82571      0.835089 1.82352      1.10466  1.82864      1.27571  1.16764  0.396237  1.15779  0.42287   
1 1 1 47 16 33 o 2.19115  0.233273  5.39555      1.02227  4.55326      1.38222  6.41256      1.51883  1.82661  0.389835  2.25855  0.336241  
1 1 1 47 16 34 o 0.756778 0.327401  0.435369     0.910385 -0.362307    1.24643  1.34752      1.33287  0.712478 0.335367  0.973882 0.407654  
1 1 1 47 16 35 o 1.26284  0.360827  2.45261      0.957067 1.38676      1.31474  3.65411      1.39589  0.918526 0.39536   1.40338  0.444396  
1 1 1 47 16 36 o 1.30248  0.408986  3.06624      1.18494  2.13602      1.60514  4.18026      1.75659  0.979538 0.429254  1.28835  0.490837  
1 1 1 47 17 0  o 10.3232  0.129776  106.762      2.67845  106.762      2.67845  106.762      2.67845  10.3278  0.0917078 ?        ?         
1 1 1 47 17 1  o 2.19009  0.123443  4.80831      0.540704 4.04144      0.792087 5.47748      0.739917 2.00396  0.19763   2.33563  0.158398  
1 1 1 47 17 2  o 2.32287  0.109434  5.40627      0.508403 4.48131      0.714157 6.3567       0.723923 2.11194  0.169076  2.51697  0.143809  
1 1 1 47 17 3  o 5.09624  0.0696956 25.9926      0.71037  25.8904      1.01622  26.0903      0.993403 5.084    0.0999425 5.10381  0.0973196 
1 1 1 47 17 4  o 8.19136  0.0778135 67.1677      1.2748   66.1129      1.86783  68.0874      1.74419  8.12176  0.114989  8.24359  0.10579   
1 1 1 47 17 5  o 4.26747  0.0724742 18.2282      0.618564 17.8075      0.837376 18.7334      0.917693 4.21621  0.0993042 4.3239   0.106119  
1 1 1 47 17 6  o 1.36055  0.162777  1.86003      0.442933 1.94533      0.5384   1.68141      0.779128 1.39     0.193669  1.26084  0.310595  
1 1 1 47 17 7  o 8.4179   0.0822069 70.9519      1.38402  71.1879      1.94851  70.7116      1.96621  8.42662  0.115616  8.39811  0.117063  
1 1 1 47 17 8  o 6.26797  0.0789285 39.3359      0.989443 39.5006      1.40742  39.175       1.39129  6.27716  0.112106  6.25136  0.111279  
1 1 1 47 17 9  o 2.08676  0.144141  4.37308      0.601574 4.96165      0.872667 3.84012      0.830414 2.21876  0.196656  1.95065  0.212856  
1 1 1 47 17 10 o 3.02778  0.108496  9.19037      0.657003 8.28221      0.939775 10.0586      0.918862 2.8698   0.163736  3.16451  0.145182  
1 1 1 47 17 11 o 2.82782  0.116211  8.02102      0.65725  6.24636      0.945024 9.68362      0.9147   2.48918  0.189827  3.10426  0.14733   
1 1 1 47 17 12 o 4.76498  0.0876594 22.7476      0.83539  20.8709      1.22633  24.3726      1.14111  4.55842  0.134512  4.92881  0.115759  
1 1 1 47 17 13 o 0.752295 0.288938  0.39521      0.612746 1.14342      0.912213 -0.219933    0.827128 1.07719  0.360072  0.692316 0.305539  
1 1 1 47 17 14 o 6.86817  0.0785142 47.2552      1.0785   47.4824      1.48444  47.0012      1.56957  6.87934  0.107891  6.84292  0.114685  
1 1 1 47 17 15 o 2.44444  0.116342  6.00004      0.568783 7.61861      0.869578 4.78975      0.751944 2.74966  0.158125  2.17862  0.172573  
1 1 1 47 17 16 o 2.02238  0.139319  4.11631      0.563513 4.29864      0.826154 3.95767      0.770599 2.05947  0.200574  1.97684  0.194907  
1 1 1 47 17 17 o 0.994363 0.283077  1.04431      0.590097 1.43678      0.852443 0.683204     0.817688 1.16297  0.343234  0.907484 0.337495  
1 1 1 47 17 18 o 2.74216  0.127243  7.56359      0.69784  7.76026      0.966835 7.34971      1.00826  2.77033  0.174498  2.69382  0.187142  
1 1 1 47 17 19 o 0.938848 0.304196  0.89365      0.651322 0.569046     0.858018 1.33505      1.00054  0.884126 0.341393  1.14111  0.377101  
1 1 1 47 17 20 o 3.82992  0.102613  14.7354      0.785997 14.5552      1.08432  14.9349      1.14097  3.79826  0.14274   3.84614  0.148327  
1 1 1 47 17 21 o 0.696171 0.29286   0.106635     0.693572 0.190171     0.982181 0.0235473    0.979541 0.82924  0.348657  0.793928 0.341487  
1 1 1 47 17 22 o 0.497102 0.238535  -0.930726    0.682882 -0.740381    0.918666 -1.16578     1.02088  0.637447 0.296734  0.627172 0.2985    
1 1 1 47 17 23 o 1.10848  0.303406  1.33943      0.692015 1.59855      0.89365  0.951319     1.09369  1.20474  0.35012   1.03371  0.389148  
1 1 1 47 17 24 o 3.01631  0.130209  9.19966      0.785505 9.88984      1.11342  8.51577      1.10834  3.11208  0.178887  2.8832   0.192207  
1 1 1 47 17 25 o 2.85657  0.137934  8.27599      0.788034 9.11249      1.08179  7.33028      1.15025  2.98236  0.181366  2.66154  0.216087  
1 1 1 47 17 26 o 3.5665   0.12068   12.8626      0.860811 12.177       1.16913  13.6743      1.27213  3.4516   0.16936   3.65546  0.174004  
1 1 1 47 17 27 o 2.62832  0.155084  7.05437      0.815222 6.92231      1.135    7.1951       1.17167  2.57652  0.220258  2.62538  0.223144  
1 1 1 47 17 28 o 0.604195 0.277513  -0.436445    0.770507 -1.03093     1.05708  0.237442     1.12546  0.641885 0.304668  0.853452 0.366528  
1 1 1 47 17 29 o 0.67549  0.297456  -0.0445049   0.778489 0.448256     1.08482  -0.567692    1.11782  0.873678 0.366839  0.715612 0.330879  
1 1 1 47 17 30 o 1.48602  0.288024  2.52219      0.825467 3.89596      1.14931  1.05845      1.18635  1.82476  0.326741  1.01223  0.398963  
1 1 1 47 17 31 o 0.552588 0.263355  -0.765243    0.79708  -0.688806    1.07937  -0.856925    1.18211  0.667771 0.313669  0.681747 0.322923  
1 1 1 47 17 32 o 0.974231 0.343605  1.16102      0.835803 1.78436      1.13491  0.422277     1.2355   1.14717  0.400803  0.859043 0.376524  
1 1 1 47 17 33 o 1.30506  0.363854  2.3563       0.984894 1.82578      1.43485  2.82895      1.35433  1.08597  0.43514   1.33237  0.438737  
1 1 1 47 17 34 o 0.560943 0.271121  -0.896999    0.925083 -0.954559    1.25873  -0.829394    1.36415  0.651998 0.315325  0.687922 0.331805  
1 1 1 47 17 35 o 0.868831 0.361053  1.17375      1.03389  2.46813      1.41742  -0.297929    1.51138  1.08448  0.433343  0.717008 0.346551  
1 1 1 47 17 36 o 0.609537 0.295134  -0.583065    1.11504  -0.510081    1.5061   -0.67159     1.65873  0.682313 0.333336  0.691507 0.340602  
1 1 1 47 18 0  o 0.512533 0.328564  0.0886349    0.734746 0.0886349    0.734746 0.0886349    0.734746 0.439258 0.279045  ?        ?         
1 1 1 47 18 1  o 2.94804  0.0919767 8.70393      0.542302 8.96878      0.800304 8.47907      0.737412 2.99004  0.133829  2.90773  0.126802  
1 1 1 47 18 2  o 2.91893  0.0927591 8.53321      0.541514 7.74408      0.7661   9.32118      0.765534 2.77809  0.137883  3.04876  0.125549  
1 1 1 47 18 3  o 5.77093  0.0735703 33.3362      0.849138 33.8398      1.31761  32.9786      1.1105   5.81041  0.113384  5.73781  0.0967703 
1 1 1 47 18 4  o 5.52327  0.0705882 30.5346      0.779755 30.337       1.1219   30.7193      1.08453  5.5026   0.101943  5.53758  0.0979245 
1 1 1 47 18 5  o 9.50089  0.0878766 90.3995      1.66981  91.7741      2.28722  88.8307      2.44346  9.56688  0.119538  9.40992  0.129834  
1 1 1 47 18 6  o 1.92987  0.151381  3.74121      0.584293 4.51335      0.858972 3.07627      0.79712  2.11592  0.202979  1.74501  0.2284    
1 1 1 47 18 7  o 5.95718  0.0792166 35.533       0.943815 35.4403      1.34758  35.6222      1.32229  5.9455   0.113328  5.96106  0.110911  
1 1 1 47 18 8  o 8.65306  0.0838993 74.985       1.45197  72.919       2.07125  76.9814      2.036    8.52628  0.121463  8.7617   0.116187  
1 1 1 47 18 9  o 1.77013  0.169842  3.15293      0.601286 3.40094      0.877317 2.93323      0.825721 1.83292  0.239322  1.70194  0.242582  
1 1 1 47 18 10 o 4.02903  0.0894053 16.2628      0.720432 16.5748      1.05903  15.9941      0.982911 4.06333  0.130316  3.99235  0.123099  
1 1 1 47 18 11 o 1.95339  0.158322  3.83929      0.61853  3.19079      0.915045 4.38489      0.839319 1.77181  0.258223  2.08365  0.201406  
1 1 1 47 18 12 o 2.79212  0.11636   7.82424      0.649781 6.28386      0.922417 9.34154      0.915479 2.49544  0.184821  3.04725  0.150214  
1 1 1 47 18 13 o 4.02068  0.0946246 16.2073      0.76091  14.9568      1.06875  17.4927      1.08358  3.8569   0.13855   4.17245  0.12985   
1 1 1 47 18 14 o 5.37569  0.0889961 28.9676      0.956831 30.1201      1.28561  27.5364      1.43262  5.47674  0.11737   5.23265  0.136892  
1 1 1 47 18 15 o 2.62102  0.106978  6.8953       0.560784 5.28903      0.877056 8.00611      0.729352 2.28596  0.191835  2.82174  0.129238  
1 1 1 47 18 16 o 2.82264  0.113624  8.00425      0.641442 8.75823      1.03919  7.54017      0.815288 2.94292  0.176559  2.73499  0.149048  
1 1 1 47 18 17 o 1.5457   0.187477  2.41921      0.579565 2.01483      0.792934 2.88303      0.849214 1.37239  0.297272  1.67866  0.252944  
1 1 1 47 18 18 o 3.04001  0.112748  9.28748      0.685511 8.39425      0.958644 10.2222      0.980647 2.88176  0.16633   3.1825   0.154068  
1 1 1 47 18 19 o 1.99202  0.167404  4.01303      0.666946 3.42324      0.912406 4.68976      0.977347 1.82708  0.249689  2.14295  0.228038  
1 1 1 47 18 20 o 3.40909  0.11597   11.6997      0.790701 12.809       1.03683  10.1576      1.22239  3.56038  0.145606  3.15802  0.193537  
1 1 1 47 18 21 o 2.29787  0.156342  5.34849      0.71851  6.06912      1.00907  4.60734      1.02333  2.436    0.207116  2.11387  0.242052  
1 1 1 47 18 22 o 0.750828 0.299717  0.341349     0.677401 1.11514      0.92903  -0.537061    0.98984  1.05005  0.363036  0.697373 0.31802   
1 1 1 47 18 23 o 3.03771  0.128018  9.32239      0.777764 8.68573      1.02975  10.1679      1.18672  2.91854  0.176416  3.15357  0.188155  
1 1 1 47 18 24 o 1.94076  0.194746  3.86767      0.755913 3.20685      1.01534  4.68941      1.13224  1.7127   0.307589  2.11257  0.267976  
1 1 1 47 18 25 o 3.93079  0.10957   15.5918      0.861395 16.1417      1.17712  14.9577      1.2639   3.98481  0.147701  3.82811  0.165081  
1 1 1 47 18 26 o 1.56696  0.242366  2.57701      0.759557 2.01762      1.02235  3.26619      1.13477  1.32285  0.371327  1.69981  0.345807  
1 1 1 47 18 27 o 0.690153 0.299276  0.0110192    0.764062 -0.113452    1.05519  0.148221     1.10783  0.775524 0.343313  0.838778 0.361997  
1 1 1 47 18 28 o 0.837975 0.325329  0.607076     0.781375 0.0334207    1.07353  1.25338      1.13948  0.796598 0.350053  1.07407  0.398614  
1 1 1 47 18 29 o 1.27901  0.314325  1.90591      0.799397 1.97832      1.1012   1.82524      1.16232  1.26546  0.393654  1.21752  0.406447  
1 1 1 47 18 30 o 1.0143   0.342142  1.21264      0.823625 1.50276      1.08072  0.810664     1.27211  1.1065   0.390672  0.964184 0.400574  
1 1 1 47 18 31 o 1.18929  0.334672  1.76848      0.829465 0.918731     1.13628  2.73785      1.21362  0.942516 0.383338  1.41972  0.406536  
1 1 1 47 18 32 o 1.85294  0.239985  3.85309      0.889359 5.38161      1.27187  2.39062      1.24408  2.12654  0.299047  1.28134  0.4205    
1 1 1 47 18 33 o 1.17114  0.36733   1.97054      0.956209 -0.157117    1.29587  4.51375      1.41678  0.748895 0.350086  1.74631  0.41185   
1 1 1 47 18 34 o 0.603582 0.287328  -0.513637    0.94631  -1.69531     1.22162  1.25931      1.49636  0.575562 0.284915  0.930135 0.410666  
1 1 1 47 18 35 o 0.687556 0.319249  0.177975     1.0548   0.055863     1.47882  0.304441     1.50495  0.730967 0.35082   0.756019 0.360678  
1 1 1 47 18 36 o 0.659416 0.317878  -0.0484464   1.24776  1.07293      1.85623  -0.972835    1.68533  0.783575 0.379724  0.646762 0.322435  
1 1 1 47 19 0  o 6.33901  0.0991881 40.2502      1.25681  40.2502      1.25681  40.2502      1.25681  6.34166  0.0700878 ?        ?         
1 1 1 47 19 1  o 1.31065  0.199387  1.73086      0.522653 2.1716       0.770979 1.35609      0.71095  1.43978  0.277651  1.13511  0.306127  
1 1 1 47 19 2  o 9.11754  0.0821037 83.2378      1.49717  80.96        2.09702  85.6059      2.13821  8.98598  0.116683  9.24041  0.115699  
1 1 1 47 19 3  o 6.96825  0.0744897 48.6094      1.03813  49.046       1.50911  48.2172      1.43032  6.99532  0.107866  6.93664  0.103099  
1 1 1 47 19 4  o 2.90362  0.0803749 8.44188      0.466757 8.01333      0.63645  8.94061      0.686586 2.82723  0.112557  2.98617  0.114961  
1 1 1 47 19 5  o 6.68494  0.0776628 44.7431      1.03834  43.4053      1.40467  46.3546      1.54176  6.58071  0.106726  6.79961  0.113371  
1 1 1 47 19 6  o 0.95371  0.27822   0.941846     0.563259 1.09145      0.804114 0.797726     0.789231 1.04554  0.337922  0.943154 0.333768  
1 1 1 47 19 7  o 4.94752  0.0788907 24.5103      0.780627 25.1059      1.12902  23.9648      1.08053  5.00388  0.112814  4.8891   0.110504  
1 1 1 47 19 8  o 4.93215  0.0781052 24.3591      0.770453 24.751       1.11162  23.9968      1.06881  4.96817  0.111874  4.8922   0.109236  
1 1 1 47 19 9  o 2.82232  0.109396  7.98783      0.6175   7.66136      0.8678   8.32268      0.878859 2.75994  0.157214  2.87705  0.152736  
1 1 1 47 19 10 o 2.18216  0.140534  4.78539      0.613333 4.17934      0.865707 5.39615      0.869071 2.03286  0.212929  2.31278  0.187884  
1 1 1 47 19 11 o 3.51523  0.0970439 12.3884      0.682264 12.7769      1.01991  12.0738      0.917872 3.56468  0.143057  3.46658  0.132389  
1 1 1 47 19 12 o 2.4326   0.128195  5.9454       0.623694 5.65606      0.913083 6.19848      0.853956 2.36575  0.19298   2.47924  0.172222  
1 1 1 47 19 13 o 2.50903  0.127251  6.32611      0.638553 6.9155       0.924805 5.78908      0.882761 2.61741  0.176664  2.39377  0.184387  
1 1 1 47 19 14 o 2.59899  0.125698  6.78913      0.653375 6.21611      0.922944 7.3648       0.925085 2.47921  0.186136  2.7009   0.171255  
1 1 1 47 19 15 o 2.39084  0.143041  5.75741      0.683974 4.73969      0.904597 7.11588      1.04512  2.16032  0.209367  2.6493   0.197244  
1 1 1 47 19 16 o 1.09747  0.265239  1.28309      0.576562 3.14865      0.901794 -0.00673254  0.749838 1.7536   0.257126  0.698498 0.299551  
1 1 1 47 19 17 o 1.83005  0.17089   3.38623      0.625474 2.35071      0.920906 4.27299      0.852194 1.4776   0.320626  2.05031  0.207821  
1 1 1 47 19 18 o 0.632235 0.272587  -0.0350198   0.626976 -0.156514    0.927535 0.0671991    0.850783 0.743289 0.326011  0.756928 0.321657  
1 1 1 47 19 19 o 1.28638  0.282304  1.77921      0.706514 1.61518      1.05307  1.91349      0.952762 1.2268   0.385626  1.3217   0.353457  
1 1 1 47 19 20 o 1.76712  0.197276  3.18448      0.697219 2.53338      0.978727 3.85535      0.99347  1.52301  0.330588  1.93128  0.257206  
1 1 1 47 19 21 o 1.38237  0.251782  2.03578      0.670348 2.3867       0.898214 1.59458      1.00714  1.4786   0.313298  1.20879  0.376556  
1 1 1 47 19 22 o 1.30055  0.272483  1.8275       0.685983 1.86405      0.962325 1.78973      0.97812  1.29379  0.359318  1.26876  0.365509  
1 1 1 47 19 23 o 0.923729 0.31856   0.853382     0.714955 1.16822      0.945416 0.432807     1.0927   1.0632   0.366355  0.907449 0.373623  
1 1 1 47 19 24 o 1.66722  0.221171  2.88135      0.73748  2.7435       0.997513 3.04753      1.09523  1.56959  0.328381  1.64936  0.343358  
1 1 1 47 19 25 o 3.35029  0.12327   11.3558      0.825978 11.6966      1.11854  10.9471      1.22492  3.38458  0.16524   3.26463  0.187605  
1 1 1 47 19 26 o 2.40393  0.162645  5.9134       0.781973 6.57258      1.06242  5.13413      1.15515  2.51479  0.211233  2.20011  0.262521  
1 1 1 47 19 27 o 2.62648  0.155467  7.07327      0.816659 6.09996      1.12449  8.15959      1.18798  2.40198  0.234076  2.79119  0.212809  
1 1 1 47 19 28 o 1.61526  0.246404  2.80275      0.796015 2.48859      1.10251  3.14485      1.15049  1.43024  0.379195  1.62355  0.363441  
1 1 1 47 19 29 o 1.84197  0.221241  3.61927      0.815036 2.66689      1.09175  4.81828      1.22499  1.47417  0.370443  2.07484  0.295202  
1 1 1 47 19 30 o 0.813765 0.325352  0.579644     0.799637 0.429364     1.07796  0.763525     1.1924   0.843272 0.360315  0.931477 0.387455  
1 1 1 47 19 31 o 0.609289 0.282587  -0.409499    0.823459 -1.21675     1.11585  0.555845     1.22023  0.61692  0.298106  0.881011 0.380067  
1 1 1 47 19 32 f 1.13621  0.359901  1.7642       0.915491 2.03411      1.29419  1.49385      1.29522  1.15593  0.425556  1.03364  0.413735  
1 1 1 47 19 33 o 1.13011  0.364992  1.84647      0.938229 1.84258      1.2682   1.85118      1.39449  1.07566  0.415111  1.06683  0.428349  
1 1 1 47 19 34 o 0.790786 0.339392  0.7658       0.963877 1.10983      1.30169  0.34817      1.43418  0.869205 0.38349   0.778376 0.364873  
1 1 1 47 19 35 o 0.739575 0.335994  0.480362     1.08231  0.201499     1.50948  0.775405     1.55266  0.754154 0.360129  0.813613 0.381078  
1 1 1 47 20 0  o 0.879822 0.397534  1.13822      0.746849 1.13822      0.746849 1.13822      0.746849 0.936025 0.316164  ?        ?         
1 1 1 47 20 1  o 0.997795 0.266425  1.04529      0.541852 0.981197     0.76725  1.10907      0.765342 1.00065  0.330225  1.0457   0.328758  
1 1 1 47 20 2  o 3.80773  0.0782827 14.517       0.596158 13.3737      0.825539 15.763       0.861822 3.65226  0.113018  3.96549  0.108665  
1 1 1 47 20 3  o 4.44795  0.0715303 19.8052      0.636326 20.0848      0.911681 19.5395      0.888565 4.47684  0.101822  4.41576  0.100613  
1 1 1 47 20 4  o 7.44548  0.0725116 55.4963      1.07977  55.5373      1.51263  55.4536      1.54183  7.44434  0.101596  7.43841  0.10364   
1 1 1 47 20 5  o 4.14418  0.0856228 17.2012      0.709673 16.1715      0.964309 18.4178      1.04819  4.01524  0.120081  4.28479  0.122315  
1 1 1 47 20 6  o 1.98202  0.142832  3.94614      0.566191 4.42315      0.819477 3.51044      0.783185 2.09433  0.195642  1.86459  0.210015  
1 1 1 47 20 7  o 7.11805  0.0775395 50.7369      1.10386  49.5851      1.54334  51.9433      1.57948  7.03194  0.109738  7.19722  0.109728  
1 1 1 47 20 8  o 5.19476  0.0787379 27.026       0.818048 25.9036      1.1522   28.1669      1.16165  5.08166  0.113368  5.29956  0.109599  
1 1 1 47 20 9  o 2.80868  0.109679  7.91314      0.616104 8.47185      0.893839 7.40743      0.850389 2.90183  0.154013  2.71313  0.156717  
1 1 1 47 20 10 o 3.06828  0.105073  9.44301      0.644784 8.70484      0.910499 10.1856      0.913233 2.94078  0.154806  3.18255  0.143475  
1 1 1 47 20 11 o 5.31551  0.0826653 28.3104      0.878817 26.9323      1.26112  29.6114      1.22532  5.17864  0.121762  5.43174  0.112793  
1 1 1 47 20 12 o 2.60963  0.123883  6.84195      0.646576 6.54479      0.926782 7.12373      0.902495 2.5455   0.182044  2.65742  0.169807  
1 1 1 47 20 13 o 1.34652  0.255277  1.9087       0.66254  1.5641       0.896273 2.32387      0.983774 1.21183  0.350134  1.46897  0.341102  
1 1 1 47 20 14 o 0.676573 0.28362   0.0960942    0.646719 -0.299522    0.873208 0.576752     0.962496 0.694854 0.30949   0.92081  0.360333  
1 1 1 47 20 15 o 3.72115  0.10691   13.9038      0.795657 12.7084      1.11876  15.1272      1.13181  3.54896  0.157618  3.87444  0.146061  
1 1 1 47 20 16 o 1.70216  0.14694   2.92065      0.500229 2.62284      0.868336 3.06857      0.61198  1.57271  0.286684  1.74168  0.175686  
1 1 1 47 20 17 o 0.617572 0.260672  0.05357      0.552551 0.330162     0.842799 -0.154942    0.731763 0.815946 0.330769  0.656727 0.288796  
1 1 1 47 20 18 o 4.60272  0.0927336 21.265       0.853655 21.8172      1.2147   20.726       1.19993  4.65347  0.130516  4.53514  0.132293  
1 1 1 47 20 19 o 1.35056  0.261346  1.94437      0.680729 2.89088      1.0342   1.22081      0.904231 1.63119  0.328541  1.08536  0.358493  
1 1 1 47 20 20 o 1.7165   0.202383  3.01261      0.694784 2.14351      0.965647 3.94543      1.00042  1.39209  0.347533  1.95131  0.256347  
1 1 1 47 20 21 o 2.99288  0.122501  9.03658      0.73326  8.08242      1.0231   10.0444      1.05146  2.81568  0.181679  3.14345  0.167245  
1 1 1 47 20 22 o 0.70749  0.295978  0.153127     0.702006 0.737042     0.964414 -0.504938    1.02382  0.945249 0.362651  0.713712 0.324922  
1 1 1 47 20 23 o 0.910991 0.321734  0.814146     0.733012 0.541113     1.00085  1.13005      1.07656  0.902006 0.362591  1.06848  0.388638  
1 1 1 47 20 24 o 0.933545 0.319059  0.892669     0.716239 1.14451      0.951856 0.56395      1.08747  1.05017  0.367045  0.927914 0.375903  
1 1 1 47 20 25 o 0.98238  0.322514  1.03505      0.731836 1.27749      1.0028   0.758804     1.07045  1.0901   0.377146  0.963044 0.379167  
1 1 1 47 20 26 o 1.11229  0.321717  1.39639      0.756298 1.88096      1.00273  0.75698      1.15185  1.27173  0.371286  0.974375 0.390102  
1 1 1 47 20 27 o 1.38161  0.291487  2.15679      0.78036  2.74158      1.05977  1.46417      1.15335  1.52497  0.353984  1.13063  0.403142  
1 1 1 47 20 28 o 0.965198 0.335068  1.02862      0.79209  0.41744      1.04539  1.85249      1.21373  0.855022 0.359609  1.22557  0.415339  
1 1 1 47 20 29 o 1.08369  0.333042  1.40674      0.791418 1.15552      1.04911  1.7385       1.2056   1.0141   0.381259  1.17296  0.41278   
1 1 1 47 20 30 o 3.03566  0.145991  9.57163      0.886361 10.1035      1.19653  8.92479      1.31948  3.07457  0.194585  2.85196  0.231328  
1 1 1 47 20 31 o 0.918465 0.344262  0.987307     0.854113 0.179829     1.20897  1.79192      1.20683  0.809681 0.362299  1.13692  0.411681  
1 1 1 47 20 32 o 1.98377  0.23759   4.51013      0.942648 4.74594      1.28578  4.2361       1.38607  1.88811  0.353574  1.69794  0.411809  
1 1 1 47 20 33 o 0.576427 0.278751  -0.915838    0.98278  -1.45016     1.35207  -0.317303    1.43101  0.633257 0.311085  0.746932 0.354507  
1 1 1 47 20 34 o 0.864534 0.360739  1.17796      1.03865  1.83327      1.54569  0.63846      1.40248  0.948537 0.418268  0.792877 0.36814   
1 1 1 47 20 35 o 0.616246 0.297885  -0.486901    1.11797  -2.12577     1.64564  0.91774      1.52351  0.605028 0.304438  0.804735 0.37702   
1 1 1 47 21 0  o 2.67674  0.154355  7.25426      0.820048 7.25426      0.820048 7.25426      0.820048 2.68516  0.108376  ?        ?         
1 1 1 47 21 1  o 9.9132   0.0891607 98.4403      1.76774  97.3452      2.49483  99.5444      2.50511  9.84944  0.126648  9.96032  0.125755  
1 1 1 47 21 2  o 3.87435  0.0795912 15.0313      0.616729 14.3998      0.856517 15.7113      0.888749 3.78947  0.113013  3.95835  0.112262  
1 1 1 47 21 3  o 3.31579  0.0801159 11.0101      0.531296 11.5056      0.746628 10.5018      0.756195 3.38746  0.110205  3.23579  0.116848  
1 1 1 47 21 4  o 4.68785  0.075532  22.0043      0.708165 22.4092      0.971666 21.5455      1.03425  4.72822  0.102752  4.63521  0.111565  
1 1 1 47 21 5  o 2.58862  0.117839  6.7226       0.610078 7.19775      0.865375 6.25311      0.86021  2.67474  0.161768  2.49201  0.172593  
1 1 1 47 21 6  o 4.98143  0.0777327 24.8508      0.77444  26.526       1.12855  23.3599      1.06468  5.14288  0.10972   4.82613  0.110304  
1 1 1 47 21 7  o 3.59137  0.0911323 12.925       0.654579 13.6997      0.947855 12.2188      0.905057 3.69365  0.128309  3.48814  0.129733  
1 1 1 47 21 8  o 5.22216  0.0794804 27.317       0.830118 27.6597      1.19761  27.0002      1.15167  5.25018  0.114054  5.18768  0.111     
1 1 1 47 21 9  o 5.47125  0.0798505 29.9881      0.873763 29.552       1.23263  30.4286      1.23876  5.42644  0.113577  5.50652  0.112482  
1 1 1 47 21 10 o 2.00152  0.157845  4.03528      0.631857 3.88558      0.855946 4.21455      0.936659 1.95763  0.218618  2.03734  0.229873  
1 1 1 47 21 11 o 5.96975  0.0852988 35.7174      1.01842  36.1097      1.43998  35.3249      1.44056  5.99586  0.120081  5.93005  0.121463  
1 1 1 47 21 12 o 1.68363  0.202941  2.87238      0.683355 2.79083      0.960539 2.95596      0.97239  1.62103  0.307417  1.67047  0.302136  
1 1 1 47 21 13 o 4.07875  0.102192  16.697       0.833628 17.4153      1.20993  16.0479      1.1502   4.15766  0.145506  3.99139  0.144085  
1 1 1 47 21 14 f 1.79925  0.186956  3.27796      0.672761 3.00542      0.928494 3.57919      0.976149 1.71096  0.271338  1.86894  0.261151  
1 1 1 47 21 15 o 2.70261  0.124996  7.34614      0.675628 6.87003      0.99781  7.74923      0.918121 2.60339  0.191637  2.76965  0.165747  
1 1 1 47 21 16 o 0.867175 0.301381  0.709788     0.640982 0.644691     0.897055 0.777695     0.916221 0.916795 0.35033   0.959677 0.357182  
1 1 1 47 21 17 o 2.13542  0.13344   4.59402      0.569903 4.88089      0.895568 4.39879      0.738799 2.19002  0.204466  2.08354  0.177294  
1 1 1 47 21 18 o 2.53385  0.13371   6.47768      0.677604 6.50466      1.02302  6.45659      0.904449 2.52486  0.20259   2.52095  0.179387  
1 1 1 47 21 19 o 1.68756  0.195998  2.90562      0.661515 2.6337       1.00231  3.11549      0.880528 1.55117  0.332685  1.73576  0.253644  
1 1 1 47 21 20 o 1.79902  0.192934  3.30625      0.694182 4.14378      1.03094  2.61153      0.938942 1.99736  0.258075  1.54786  0.314244  
1 1 1 47 21 21 f 2.40479  0.151126  5.86448      0.726853 6.24896      1.01842  5.46529      1.03771  2.46731  0.206382  2.30169  0.225423  
1 1 1 47 21 22 o 3.33053  0.121718  11.2042      0.810771 11.2889      1.12473  11.1125      1.1698   3.32773  0.168994  3.29844  0.177327  
1 1 1 47 21 23 o 2.61149  0.149429  6.93426      0.780467 8.63738      1.12768  5.36844      1.08127  2.89808  0.194556  2.26918  0.238252  
1 1 1 47 21 24 o 1.01636  0.322649  1.11845      0.735483 0.83928      1.03948  1.39832      1.04078  0.980206 0.376374  1.13478  0.38461   
1 1 1 47 21 25 o 2.4445   0.163788  6.11678      0.800758 5.91387      1.10577  6.34052      1.16115  2.37578  0.232718  2.45831  0.236167  
1 1 1 47 21 26 o 0.947609 0.330342  0.950981     0.770588 1.54903      1.05132  0.256674     1.13278  1.15804  0.386554  0.859951 0.368464  
1 1 1 47 21 27 o 1.36936  0.304917  2.15233      0.813351 1.7258       1.10475  2.65716      1.20189  1.19637  0.396253  1.46586  0.399244  
1 1 1 47 21 28 o 1.20697  0.324243  1.722        0.799514 2.28766      1.08456  1.04872      1.18324  1.35686  0.38297   1.01333  0.398744  
1 1 1 47 21 29 o 0.73092  0.309819  0.258469     0.785962 -0.273424    1.07173  0.8774       1.1561   0.72496  0.330684  0.950938 0.3867    
1 1 1 47 21 30 o 1.35943  0.320435  2.27045      0.857997 1.90124      1.13708  2.7586       1.30747  1.18555  0.40201   1.39859  0.427711  
1 1 1 47 21 31 o 1.28942  0.347681  2.19939      0.917157 1.50176      1.23687  3.05152      1.36698  1.04201  0.40833   1.41296  0.438405  
1 1 1 47 21 32 o 1.12385  0.371894  1.84496      0.973095 0.747461     1.39942  2.87241      1.35403  0.880249 0.391939  1.31528  0.438687  
1 1 1 47 21 33 o 1.31336  0.392974  2.80663      1.1118   1.96178      1.68651  3.45599      1.47857  1.00029  0.439161  1.33031  0.458177  
1 1 1 47 21 34 o 0.955548 0.386799  1.69519      1.15018  2.62386      1.8017   1.05639      1.49429  1.01421  0.448838  0.837403 0.385399  
1 1 1 47 21 35 o 0.851972 0.372158  1.60427      1.19858  2.03946      1.93884  1.33508      1.52486  0.828354 0.398563  0.787123 0.37063   
1 1 1 47 22 0  o 7.84624  0.105669  61.6776      1.65753  61.6776      1.65753  61.6776      1.65753  7.84988  0.0746693 ?        ?         
1 1 1 47 22 1  o 5.50212  0.0759582 30.3144      0.835862 28.1884      1.1945   32.3544      1.17005  5.30136  0.11266   5.68101  0.102979  
1 1 1 47 22 2  o 4.64196  0.0722243 21.5745      0.670525 21.1457      0.928838 22.0412      0.968964 4.59287  0.101118  4.68886  0.103326  
1 1 1 47 22 3  o 3.45749  0.0769911 11.9714      0.532392 11.1025      0.709595 13.0904      0.80528  3.32746  0.106627  3.61265  0.111453  
1 1 1 47 22 4  o 7.6769   0.0821898 59.0336      1.26193  58.2191      1.84627  59.7477      1.72878  7.6163   0.121205  7.71769  0.112001  
1 1 1 47 22 5  o 1.98355  0.157996  3.95967      0.626786 3.42915      0.892479 4.476        0.880461 1.83801  0.242784  2.10393  0.209242  
1 1 1 47 22 6  o 7.18731  0.0824767 51.7514      1.18557  51.8318      1.68649  51.6728      1.66699  7.18631  0.11734   7.17554  0.116158  
1 1 1 47 22 7  o 0.61577  0.266257  -0.0604134   0.601495 0.743828     0.858225 -0.836846    0.843257 0.941327 0.346545  0.596365 0.279594  
1 1 1 47 22 8  o 3.52643  0.0987654 12.4706      0.696579 12.7276      0.99853  12.227       0.97222  3.5576   0.140338  3.48705  0.139404  
1 1 1 47 22 9  o 0.785901 0.292387  0.494388     0.613835 1.30521      0.876529 -0.285953    0.859897 1.12317  0.351574  0.693301 0.308033  
1 1 1 47 22 10 o 1.86231  0.177556  3.50226      0.661328 2.56463      0.903429 4.58474      0.970708 1.55508  0.301228  2.1239   0.22852   
1 1 1 47 22 11 o 2.69614  0.136922  7.31391      0.738322 7.57669      1.04581  7.05279      1.04249  2.736    0.191119  2.63863  0.197544  
1 1 1 47 22 12 o 1.90118  0.172169  3.65236      0.654649 2.35523      0.955226 4.80118      0.89896  1.47856  0.331292  2.17469  0.206687  
1 1 1 47 22 13 o 3.57486  0.106268  12.8315      0.759784 11.9093      1.10286  13.6645      1.04821  3.435    0.160533  3.68308  0.142301  
1 1 1 47 22 14 o 3.04406  0.112773  9.30955      0.686576 9.12778      0.99029  9.47779      0.952728 3.00617  0.16471   3.06493  0.155424  
1 1 1 47 22 15 o 2.23736  0.145347  5.04763      0.650388 4.94095      0.936397 5.14707      0.90403  2.20321  0.212508  2.25081  0.200824  
1 1 1 47 22 16 o 1.69656  0.195512  2.92299      0.663393 3.89897      0.934926 1.9333       0.941466 1.9517   0.239516  1.33291  0.349043  
1 1 1 47 22 17 o 2.25224  0.163661  5.14         0.73721  6.5649       0.969863 3.19012      1.13454  2.53953  0.190953  1.71077  0.343683  
1 1 1 47 22 18 o 3.83359  0.106419  14.7818      0.815936 14.2155      1.14717  15.3615      1.16077  3.74787  0.153043  3.89723  0.148922  
1 1 1 47 22 19 o 0.696998 0.287533  0.191446     0.648401 1.2061       0.996014 -0.554828    0.854192 1.08825  0.37593   0.636047 0.292165  
1 1 1 47 22 20 f 3.20864  0.114821  10.3772      0.736839 9.06993      1.06987  11.5568      1.01629  2.98272  0.179345  3.37645  0.150497  
1 1 1 47 22 21 o 1.42167  0.255591  2.16441      0.700288 1.81785      0.970328 2.54114      1.01168  1.27427  0.363071  1.51032  0.342707  
1 1 1 47 22 22 o 2.79461  0.138082  7.92057      0.771773 8.3617       1.08092  7.46182      1.1023   2.85403  0.189367  2.69016  0.204877  
1 1 1 47 22 23 o 1.29079  0.293052  1.8376       0.739428 1.26915      1.04485  2.40792      1.04657  1.09833  0.384493  1.45397  0.361086  
1 1 1 47 22 24 o 2.17775  0.181539  4.87837      0.790694 5.56464      1.12009  4.1967       1.11634  2.3007   0.243424  1.98169  0.281662  
1 1 1 47 22 25 o 1.88169  0.213876  3.6955       0.804897 4.70901      1.08065  2.43262      1.20628  2.10493  0.256694  1.42629  0.404315  
1 1 1 47 22 26 o 0.440517 0.219324  -1.81527     0.767176 -2.06429     1.05099  -1.53124     1.12244  0.539907 0.266539  0.611562 0.296114  
1 1 1 47 22 27 o 2.53104  0.16709   6.63212      0.845822 7.07944      1.17455  6.15028      1.21903  2.57726  0.227868  2.38314  0.255762  
1 1 1 47 22 28 o 2.08459  0.198656  4.59999      0.828231 4.17108      1.11883  5.11999      1.23191  1.92588  0.290472  2.13537  0.288453  
1 1 1 47 22 29 o 1.55766  0.278514  2.81505      0.836338 1.89431      1.07232  4.2449       1.3363   1.19718  0.390394  1.82086  0.379421  
1 1 1 47 22 30 o 1.76199  0.248392  3.48008      0.875328 3.12955      1.199    3.88011      1.28085  1.52733  0.390871  1.719    0.38255   
1 1 1 47 22 31 o 0.635217 0.294909  -0.30092     0.899728 -0.601086    1.23723  0.0359933    1.31077  0.693389 0.329348  0.783716 0.360803  
1 1 1 47 22 32 o 0.941776 0.369215  1.23994      1.01148  0.850641     1.43993  1.61916      1.42115  0.890582 0.397027  1.01373  0.422414  
1 1 1 47 22 33 o 1.00398  0.380473  1.74659      1.05085  1.76011      1.57318  1.73571      1.41208  0.947166 0.419257  0.954585 0.410279  
1 1 1 47 22 34 o 0.79504  0.355991  0.841139     1.16901  -0.0815575   1.86309  1.4403       1.50132  0.75638  0.369805  0.881676 0.398698  
1 1 1 47 23 0  o 3.85373  0.115397  14.9168      0.887617 14.9168      0.887617 14.9168      0.887617 3.858    0.0814245 ?        ?         
1 1 1 47 23 1  o 2.20372  0.123729  4.87577      0.545329 5.576        0.785809 4.22526      0.757398 2.35286  0.16699   2.04648  0.185049  
1 1 1 47 23 2  o 0.95437  0.245116  0.960386     0.470263 0.641633     0.642092 1.32919      0.690666 0.847799 0.300948  1.1204   0.301535  
1 1 1 47 23 3  o 2.2092   0.0959957 4.89267      0.424148 5.10426      0.57151  4.63322      0.632838 2.25444  0.126752  2.14628  0.147427  
1 1 1 47 23 4  o 3.10929  0.101853  9.69531      0.633382 9.77937      0.977574 9.63449      0.831521 3.11676  0.156826  3.09634  0.134275  
1 1 1 47 23 5  o 1.9955   0.149311  4.00695      0.595898 3.92463      0.86746  4.0805       0.819996 1.9678   0.220414  2.0084   0.204141  
1 1 1 47 23 6  o 4.49744  0.0832341 20.2673      0.748682 20.1163      1.07402  20.4101      1.0442   4.47593  0.119977  4.50913  0.115788  
1 1 1 47 23 7  o 2.34509  0.132031  5.52781      0.619249 5.93766      0.911984 5.17718      0.843518 2.42415  0.188104  2.26381  0.186305  
1 1 1 47 23 8  o 2.05072  0.147028  4.23326      0.603026 4.37026      0.887028 4.11554      0.822264 2.07605  0.213634  2.01587  0.203948  
1 1 1 47 23 9  o 1.73861  0.174319  3.052        0.606147 3.27835      0.909318 2.87099      0.813162 1.79216  0.253693  1.67863  0.24221   
1 1 1 47 23 10 o 2.01815  0.158928  4.10748      0.641481 3.60988      0.947979 4.52779      0.871251 1.87977  0.252153  2.11265  0.206198  
1 1 1 47 23 11 o 3.68001  0.106237  13.5974      0.781909 13.2141      1.12605  13.9544      1.08657  3.61932  0.155562  3.72125  0.145996  
1 1 1 47 23 12 o 2.29308  0.140649  5.29554      0.645039 5.25257      0.955523 5.33151      0.874322 2.27376  0.21012   2.29398  0.190569  
1 1 1 47 23 13 o 0.905779 0.301142  0.811301     0.638057 0.261937     0.943522 1.27424      0.866135 0.838087 0.346385  1.10669  0.350015  
1 1 1 47 23 14 o 3.65921  0.105671  13.4489      0.773348 13.1909      1.05169  13.7527      1.14114  3.61683  0.145388  3.69105  0.154582  
1 1 1 47 23 15 o 1.06515  0.294149  1.21116      0.646902 1.40111      0.954064 1.04951      0.880119 1.15558  0.367544  1.0327   0.353681  
1 1 1 47 23 16 o 2.32419  0.149458  5.45998      0.69474  5.36705      0.917196 5.58507      1.06411  2.29484  0.199839  2.3344   0.22792   
1 1 1 47 23 17 o 2.62564  0.136977  6.95964      0.719301 6.98781      0.994865 6.92879      1.04121  2.61957  0.189891  2.60598  0.199773  
1 1 1 47 23 18 o 2.39169  0.12714   5.77211      0.608159 6.51318      1.02435  5.3687       0.755773 2.52292  0.203008  2.29959  0.164328  
1 1 1 47 23 19 o 4.87791  0.0979963 23.9293      0.956035 24.2539      1.34217  23.595       1.36213  4.89765  0.137022  4.82908  0.141034  
1 1 1 47 23 20 o 2.14396  0.157556  4.66908      0.675587 4.78284      0.985464 4.5682       0.927974 2.15108  0.229062  2.10479  0.220443  
1 1 1 47 23 21 o 1.78246  0.20267   3.26968      0.722504 3.4422       1.04261  3.11029      1.00214  1.80275  0.289173  1.68571  0.308747  
1 1 1 47 23 22 o 3.46418  0.120489  12.1323      0.83479  12.1724      1.14603  12.0868      1.21844  3.45312  0.165941  3.436    0.177305  
1 1 1 47 23 23 o 3.46513  0.121049  12.1488      0.838903 12.2397      1.18637  12.0578      1.1864   3.45783  0.171549  3.43142  0.172874  
1 1 1 47 23 24 o 1.05285  0.329019  1.22806      0.768093 1.3826       1.08304  1.07167      1.08949  1.12498  0.391681  1.04213  0.38917   
1 1 1 47 23 25 o 1.64257  0.240704  2.86519      0.790745 2.80155      1.09122  2.93556      1.14746  1.54504  0.359561  1.57585  0.369999  
1 1 1 47 23 26 o 0.70911  0.305355  0.103508     0.784926 0.237661     1.08611  -0.0431595   1.13565  0.833329 0.359024  0.799024 0.354627  
1 1 1 47 23 27 o 1.22414  0.31493   1.75915      0.775326 1.29037      1.06485  2.28807      1.1311   1.06086  0.386455  1.35005  0.394397  
1 1 1 47 23 28 o 0.648643 0.293514  -0.198811    0.815001 1.1064       1.05787  -2.10475     1.27835  0.992004 0.38004   0.604649 0.297802  
1 1 1 47 23 29 o 1.23063  0.329927  1.88947      0.828841 2.57942      1.14093  1.11844      1.2061   1.3868   0.393239  0.991093 0.398189  
1 1 1 47 23 30 o 2.00361  0.2234    4.46434      0.89521  5.51596      1.26486  3.40886      1.26718  2.14892  0.294301  1.55458  0.403952  
1 1 1 47 23 31 o 0.507426 0.24993   -1.37342     0.894462 -0.598297    1.25621  -2.17052     1.2739   0.690821 0.329562  0.569476 0.283403  
1 1 1 47 23 32 o 0.797176 0.34728   0.658762     1.03783  0.924834     1.52262  0.427886     1.41834  0.879481 0.39928   0.80946  0.373677  
1 1 1 47 23 33 o 0.675279 0.313835  0.125551     1.02232  0.12482      1.58458  0.126072     1.33804  0.747811 0.359933  0.721373 0.342576  
1 1 1 47 23 34 o 0.589203 0.288662  -0.737989    1.15059  -0.974708    1.85788  -0.590714    1.46544  0.671828 0.335438  0.649559 0.319937  
1 1 1 47 24 0  o 4.7228   0.107304  22.3756      1.01237  22.3756      1.01237  22.3756      1.01237  4.72656  0.0757706 ?        ?         
1 1 1 47 24 1  o 6.18053  0.0736319 38.2578      0.910168 39.4312      1.31856  37.1898      1.25793  6.26967  0.105154  6.0892   0.103292  
1 1 1 47 24 2  o 6.77259  0.0727221 45.9372      0.985033 45.7544      1.43506  46.1001      1.35452  6.7534   0.106247  6.78012  0.0998889 
1 1 1 47 24 3  f 1.7852   0.11221   3.19852      0.400635 3.48068      0.552705 2.88614      0.581563 1.85978  0.148594  1.69171  0.171886  
1 1 1 47 24 4  o 5.909    0.0820647 34.9853      0.969841 33.835       1.46845  35.8752      1.29163  5.80326  0.126519  5.97944  0.108006  
1 1 1 47 24 5  o 4.29119  0.0865093 18.4556      0.742456 18.5048      1.04968  18.4063      1.0503   4.29217  0.122279  4.28067  0.122679  
1 1 1 47 24 6  o 2.16038  0.137982  4.6945       0.596187 4.93015      0.846817 4.46291      0.839502 2.20795  0.191765  2.09971  0.199909  
1 1 1 47 24 7  o 1.90456  0.156922  3.65557      0.597736 3.40419      0.862158 3.88824      0.829444 1.82891  0.235702  1.9579   0.21182   
1 1 1 47 24 8  o 1.59895  0.185546  2.58557      0.593359 1.9598       0.872999 3.12287      0.808931 1.34997  0.32645   1.75168  0.230901  
1 1 1 47 24 9  o 3.91625  0.0942786 15.3843      0.738437 13.2098      1.02614  17.72        1.06348  3.62184  0.14166   4.19775  0.126673  
1 1 1 47 24 10 o 1.01537  0.292186  1.08858      0.625393 0.9545       0.909653 1.20876      0.861212 1.01165  0.358296  1.08474  0.349626  
1 1 1 47 24 11 o 4.83908  0.0959553 23.4939      0.928672 24.1457      1.35067  22.9095      1.27894  4.89703  0.137907  4.77092  0.134035  
1 1 1 47 24 12 o 3.10896  0.113615  9.71212      0.706447 8.89801      1.05664  10.3702      0.949982 2.96535  0.178165  3.20711  0.148106  
1 1 1 47 24 13 o 1.96324  0.161231  3.89398      0.633069 2.58001      0.88719  5.25708      0.903625 1.55606  0.295755  2.27511  0.19859   
1 1 1 47 24 14 o 2.02451  0.163851  4.14302      0.663435 3.75645      0.928602 4.54607      0.948182 1.91532  0.242414  2.11053  0.224632  
1 1 1 47 24 15 o 0.826384 0.299037  0.606803     0.636664 0.310245     0.872793 0.944059     0.930758 0.818828 0.334983  1.00639  0.361824  
1 1 1 47 24 16 o 2.84234  0.126093  8.14388      0.716796 8.39222      0.962169 7.83417      1.07451  2.87667  0.167237  2.77277  0.193762  
1 1 1 47 24 17 o 3.19067  0.121281  10.2628      0.773932 9.28535      1.06965  11.3367      1.12118  3.02113  0.177029  3.34111  0.167785  
1 1 1 47 24 18 o 1.11974  0.310219  1.36674      0.718168 0.619664     1.00861  2.135        1.02282  0.930928 0.367566  1.38284  0.364596  
1 1 1 47 24 19 o 0.916896 0.288113  0.883825     0.5879   1.38061      0.902219 0.517236     0.775031 1.12882  0.357254  0.833163 0.323894  
1 1 1 47 24 20 o 0.782747 0.297604  0.493205     0.644674 -0.0616815   0.946541 0.973314     0.880456 0.757121 0.330724  0.99226  0.352391  
1 1 1 47 24 21 o 0.71447  0.295811  0.211917     0.690011 0.418732     1.00925  0.030397     0.945514 0.87475  0.359432  0.771576 0.333729  
1 1 1 47 24 22 o 1.82573  0.206549  3.44264      0.754206 2.26752      1.03916  4.75069      1.09636  1.40887  0.365674  2.12586  0.257862  
1 1 1 47 24 23 o 3.51625  0.121634  12.5243      0.855393 13.6355      1.25433  11.5583      1.16954  3.64573  0.172027  3.35546  0.174274  
1 1 1 47 24 24 o 2.48099  0.163865  6.31936      0.813093 5.80988      1.18804  6.76827      1.11518  2.337    0.254182  2.54192  0.219359  
1 1 1 47 24 25 f 0.655076 0.292693  -0.172635    0.786509 -0.505137    1.06443  0.227208     1.16725  0.707948 0.325591  0.856986 0.370738  
1 1 1 47 24 26 o 2.88741  0.146028  8.56398      0.843288 8.73864      1.1478   8.35912      1.24306  2.8839   0.199002  2.80436  0.22163   
1 1 1 47 24 27 o 0.867828 0.330689  0.751053     0.79745  1.29321      1.07505  0.0877996    1.18907  1.05229  0.387814  0.820788 0.363757  
1 1 1 47 24 28 o 0.692998 0.30654   0.0249678    0.839037 0.253657     1.128    -0.258269    1.25534  0.815731 0.35864   0.771245 0.354233  
1 1 1 47 24 29 o 0.614756 0.283036  -0.325132    0.806753 -1.60187     1.09234  1.20703      1.19662  0.573653 0.281101  1.00249  0.398924  
1 1 1 47 24 30 o 1.09363  0.351423  1.63599      0.870571 1.47773      1.251    1.78461      1.21226  1.01979  0.407234  1.09211  0.409981  
1 1 1 47 24 31 o 2.66566  0.205301  7.94954      1.09452  9.18898      1.58772  6.82711      1.51091  2.72479  0.291348  2.28675  0.330363  
1 1 1 47 24 32 o 0.578272 0.279938  -0.755921    1.00119  -0.272739    1.60925  -1.06105     1.27882  0.737882 0.356805  0.620741 0.304167  
1 1 1 47 24 33 o 1.37418  0.391222  3.18241      1.12707  2.76769      1.725    3.49134      1.48879  1.05714  0.45388   1.2668   0.457396  
1 1 1 47 25 0  o 4.01813  0.114923  16.2171      0.921842 16.2171      0.921842 16.2171      0.921842 4.0226   0.0810967 ?        ?         
1 1 1 47 25 1  o 3.74671  0.0807527 14.0656      0.605114 13.5643      0.832206 14.628       0.881434 3.67585  0.113199  3.81696  0.115463  
1 1 1 47 25 2  o 2.04562  0.119001  4.20264      0.48686  3.70171      0.675605 4.74382      0.702214 1.91491  0.176407  2.16938  0.161847  
1 1 1 47 25 3  o 3.98934  0.0895735 15.9542      0.714678 15.1147      1.04168  16.7008      0.982346 3.87695  0.134342  4.07752  0.120459  
1 1 1 47 25 4  o 3.97001  0.0916418 15.8025      0.727638 15.6716      1.08072  15.911       0.984121 3.94708  0.136901  3.97926  0.123656  
1 1 1 47 25 5  o 6.65059  0.0838323 44.3298      1.11507  44.0852      1.61234  44.5541      1.54378  6.62378  0.121708  6.6604   0.115893  
1 1 1 47 25 6  o 1.92571  0.156074  3.7382       0.601108 3.47984      0.878568 3.96559      0.824221 1.84805  0.237701  1.97706  0.208446  
1 1 1 47 25 7  o 4.82398  0.0846411 23.3282      0.816614 23.0653      1.17804  23.5713      1.13301  4.79007  0.122967  4.84354  0.116961  
1 1 1 47 25 8  o 2.87166  0.115718  8.28638      0.664606 7.82201      0.948612 8.73406      0.931415 2.78214  0.170482  2.94199  0.158297  
1 1 1 47 25 9  o 3.18072  0.110832  10.1616      0.705048 9.01358      1.02269  11.2016      0.973323 2.98645  0.171221  3.33403  0.145968  
1 1 1 47 25 10 o 3.47249  0.105819  12.1065      0.73491  11.976       1.04127  12.236       1.03738  3.44644  0.151064  3.48407  0.148875  
1 1 1 47 25 11 o 1.48181  0.222438  2.23703      0.659222 2.05821      0.98037  2.38462      0.890638 1.37625  0.354174  1.49167  0.308955  
1 1 1 47 25 12 o 3.71968  0.105523  13.8972      0.785025 13.5161      1.13657  14.2449      1.08557  3.65887  0.155317  3.75866  0.144409  
1 1 1 47 25 13 o 2.93549  0.116703  8.66475      0.685165 7.81118      0.948494 9.59621      0.990831 2.77827  0.170698  3.08146  0.160773  
1 1 1 47 25 14 o 2.36805  0.144432  5.66347      0.684045 5.75764      0.910765 5.54161      1.03607  2.37889  0.191426  2.32683  0.222637  
1 1 1 47 25 15 o 3.07728  0.117312  9.53555      0.722003 9.96603      0.99524  9.05729      1.04901  3.13704  0.158627  2.98638  0.175633  
1 1 1 47 25 16 o 2.6231   0.143215  6.95746      0.751333 5.29554      1.00807  9.03441      1.12693  2.27084  0.221959  2.97673  0.18929   
1 1 1 47 25 17 o 2.08953  0.178559  4.44712      0.746206 5.18032      1.0436   3.68009      1.0674   2.24088  0.232854  1.87456  0.284705  
1 1 1 47 25 18 o 2.45181  0.147845  6.09206      0.724977 5.54995      0.986656 6.7282       1.06881  2.32363  0.212309  2.55957  0.208787  
1 1 1 47 25 19 o 1.7481   0.202571  3.13919      0.70823  3.197        0.942084 3.06406      1.07401  1.74618  0.269755  1.66508  0.334282  
1 1 1 47 25 20 o 0.849213 0.302215  0.691418     0.647873 0.393313     0.936001 0.965602     0.897663 0.846783 0.34674   0.989683 0.355381  
1 1 1 47 25 21 o 2.12937  0.171329  4.63575      0.729646 4.36254      1.0745   4.86953      0.993952 2.0352   0.263979  2.16353  0.229706  
1 1 1 47 25 22 f 0.78244  0.310761  0.425812     0.724877 1.22328      1.06602  -0.260051    0.988612 1.08209  0.387404  0.73047  0.327218  
1 1 1 47 25 23 o 1.42542  0.267485  2.2224       0.734441 1.42169      1.02657  3.06198      1.05118  1.12951  0.381975  1.64653  0.330854  
1 1 1 47 25 24 o 0.548329 0.258493  -0.717272    0.745955 0.0391957    1.05273  -1.48012     1.05716  0.793277 0.34763   0.592928 0.287141  
1 1 1 47 25 25 o 1.08574  0.327133  1.36904      0.768661 1.16366      1.03664  1.61986      1.14561  1.03319  0.380819  1.1647   0.403093  
1 1 1 47 25 26 o 0.895012 0.327606  0.838468     0.766034 1.96488      1.04438  -0.473222    1.127    1.25786  0.381785  0.724787 0.33402   
1 1 1 47 25 27 o 1.44683  0.309619  2.4834       0.869917 2.32136      1.20168  2.66182      1.26095  1.32008  0.411339  1.40894  0.417882  
1 1 1 47 25 28 o 1.46295  0.305161  2.57304      0.863627 2.22938      1.2187   2.91972      1.22402  1.26783  0.416188  1.46738  0.404347  
1 1 1 47 25 29 o 1.71099  0.257364  3.36213      0.880693 3.39293      1.23224  3.32997      1.25917  1.56383  0.393909  1.53492  0.404461  
1 1 1 47 25 30 o 0.742113 0.324867  0.345351     0.917382 1.07555      1.3403   -0.298256    1.25833  0.92856  0.399426  0.72362  0.339666  
1 1 1 47 25 31 o 1.11506  0.393     2.01336      1.09321  1.90753      1.68154  2.09083      1.43875  1.02318  0.443837  1.07507  0.433668  
1 1 1 47 25 32 o 0.680906 0.31584   0.139363     1.02904  0.273766     1.48698  0.0158407    1.42552  0.755522 0.359904  0.724996 0.347103  
1 1 1 47 25 33 o 0.643729 0.306566  -0.107618    1.07824  0.803217     1.66323  -0.76791     1.41612  0.789257 0.377162  0.641218 0.315849  
1 1 1 47 26 0  o 0.516309 0.328343  0.131095     0.721021 0.131095     0.721021 0.131095     0.721021 0.446693 0.280537  ?        ?         
1 1 1 47 26 1  o 3.20868  0.08909   10.3222      0.571722 10.7964      0.795467 9.81553      0.822273 3.27783  0.12134   3.12406  0.131603  
1 1 1 47 26 2  o 6.17493  0.0727028 38.196       0.897869 36.8969      1.2569   39.5497      1.28307  6.06345  0.103645  6.27796  0.102188  
1 1 1 47 26 3  f 3.02655  0.105112  9.19379      0.636251 7.78214      0.911954 10.5326      0.88811  2.77704  0.164195  3.23512  0.137261  
1 1 1 47 26 4  o 1.99941  0.147084  4.02712      0.588162 3.7497       0.870026 4.26061      0.798182 1.91951  0.226627  2.05079  0.194603  
1 1 1 47 26 5  o 3.22298  0.102436  10.4259      0.660296 10.6672      0.963736 10.2124      0.906489 3.25347  0.148109  3.18429  0.142338  
1 1 1 47 26 6  o 4.31164  0.0874291 18.6416      0.753925 20.207       1.07952  17.1511      1.05338  4.48344  0.12039   4.1292   0.127552  
1 1 1 47 26 7  o 4.14268  0.0918174 17.2139      0.760741 17.1768      1.08015  17.2503      1.0716   4.13172  0.130714  4.14081  0.129395  
1 1 1 47 26 8  o 4.79051  0.0864358 23.0103      0.828144 21.746       1.14084  24.4186      1.20405  4.65064  0.122655  4.92825  0.122158  
1 1 1 47 26 9  o 4.54606  0.0890053 20.7271      0.809247 21.2684      1.16221  20.2178      1.12748  4.59813  0.126379  4.48325  0.125743  
1 1 1 47 26 10 o 3.41459  0.10146   11.7062      0.692886 11.389       0.991078 12.0095      0.96907  3.36052  0.147459  3.45222  0.140355  
1 1 1 47 26 11 o 3.44036  0.103941  11.8871      0.715188 12.0911      1.05039  11.7108      0.976502 3.46127  0.151735  3.40809  0.143262  
1 1 1 47 26 12 o 4.80911  0.0937869 23.2126      0.902064 23.7414      1.23968  22.6174      1.31507  4.85586  0.127648  4.73657  0.138821  
1 1 1 47 26 13 o 1.73569  0.191299  3.06631      0.664074 2.02299      0.916899 4.2174       0.963089 1.35923  0.338233  2.02613  0.237667  
1 1 1 47 26 14 o 3.0462   0.120127  9.34708      0.73186  8.80722      0.984779 10.0131      1.0938   2.94698  0.167083  3.14037  0.174151  
1 1 1 47 26 15 o 2.3846   0.148044  5.75398      0.706051 5.4911       0.983781 6.0332       1.01391  2.31501  0.212479  2.42758  0.208832  
1 1 1 47 26 16 o 3.07279  0.127622  9.53122      0.78431  9.41584      1.11272  9.64514      1.10568  3.03906  0.183069  3.07693  0.179673  
1 1 1 47 26 17 o 3.21869  0.122821  10.4551      0.790643 10.4412      1.13369  10.4684      1.10321  3.20065  0.177103  3.20653  0.172025  
1 1 1 47 26 18 o 2.85961  0.131806  8.27028      0.753826 9.08897      1.03737  7.35426      1.09729  2.98532  0.173745  2.67514  0.205091  
1 1 1 47 26 19 o 3.17665  0.125953  10.2078      0.800213 9.95175      1.08533  10.5128      1.18451  3.12053  0.173901  3.20279  0.184919  
1 1 1 47 26 20 o 3.15543  0.116022  10.0583      0.732201 9.58094      1.02911  10.5478      1.04198  3.06268  0.168009  3.21586  0.162007  
1 1 1 47 26 21 o 2.11888  0.169216  4.59342      0.717096 4.87898      1.06422  4.35594      0.970502 2.15652  0.246744  2.04107  0.237743  
1 1 1 47 26 22 o 2.33097  0.159644  5.55562      0.74425  4.39059      1.09495  6.55611      1.01468  2.03115  0.269539  2.51566  0.201674  
1 1 1 47 26 23 o 1.28919  0.298796  1.87796      0.755994 1.8839       1.07497  1.87215      1.0634   1.26024  0.388316  1.25708  0.385994  
1 1 1 47 26 24 o 2.15259  0.188678  4.83169      0.812291 5.79408      1.09374  3.64797      1.213    2.3316   0.234547  1.7592   0.357194  
1 1 1 47 26 25 o 1.13221  0.326152  1.50677      0.778842 2.55814      1.08814  0.402342     1.11526  1.44623  0.373644  0.86727  0.368402  
1 1 1 47 26 26 o 0.552756 0.26409   -0.854094    0.814375 -1.67071     1.1395   -0.00153054  1.16431  0.594657 0.290382  0.79799  0.356345  
1 1 1 47 26 27 o 1.36     0.323863  2.26807      0.869495 0.828071     1.27801  3.50902      1.1864   0.945099 0.397558  1.66084  0.36697   
1 1 1 47 26 28 f 1.66195  0.254663  3.1148       0.846476 2.85325      1.17433  3.39767      1.22124  1.45043  0.394461  1.59921  0.385727  
1 1 1 47 26 29 o 0.737693 0.321363  0.313952     0.888684 1.16701      1.30449  -0.424819    1.21396  0.958418 0.402337  0.707596 0.332457  
1 1 1 47 26 30 o 0.655477 0.302668  -0.167339    0.931265 -1.05529     1.31325  0.730837     1.32079  0.657963 0.319021  0.864931 0.383341  
1 1 1 47 26 31 o 0.695801 0.320555  0.151631     1.03684  -0.352693    1.59681  0.519267     1.36335  0.731695 0.354091  0.789485 0.365182  
1 1 1 47 26 32 o 0.664163 0.313256  -0.101419    1.09814  0.0485569    1.69473  -0.209964    1.44177  0.757617 0.366315  0.70819  0.341466  
1 1 1 47 26 33 o 0.922302 0.382503  1.95919      1.15676  -0.383885    1.7803   3.67116      1.52176  0.66933  0.333365  1.11491  0.447547  
1 1 1 47 27 0  o 6.12513  0.103027  37.6202      1.2613   37.6202      1.2613   37.6202      1.2613   6.12932  0.0727777 ?        ?         
1 1 1 47 27 1  o 3.60215  0.0822479 13.007       0.592538 13.165       0.822405 12.8365      0.854466 3.61994  0.113594  3.5736   0.119553  
1 1 1 47 27 2  o 6.89177  0.0736179 47.5895      1.01471  47.4658      1.45691  47.706       1.41409  6.87554  0.105949  6.8938   0.102562  
1 1 1 47 27 3  o 5.09666  0.0787401 26.0341      0.802623 26.5619      1.17402  25.5709      1.09977  5.14168  0.114167  5.04591  0.108977  
1 1 1 47 27 4  o 1.46848  0.191706  2.18497      0.563035 1.55794      0.823674 2.73493      0.771397 1.20484  0.331558  1.63738  0.235558  
1 1 1 47 27 5  o 3.06085  0.106328  9.40683      0.650912 8.68871      0.925292 10.1103      0.915837 2.9345   0.157658  3.16772  0.144558  
1 1 1 47 27 6  o 3.72268  0.092808  13.901       0.690988 13.9901      0.96872  13.8086      0.985918 3.729    0.12989   3.70417  0.133082  
1 1 1 47 27 7  o 2.27033  0.139284  5.1912       0.632442 5.10342      0.91358  5.27198      0.876394 2.24188  0.203753  2.28052  0.192148  
1 1 1 47 27 8  o 1.61384  0.187705  2.63974      0.605853 3.65173      0.870591 1.6894       0.843654 1.89175  0.230102  1.25101  0.33172   
1 1 1 47 27 9  o 1.43155  0.208801  2.08477      0.597815 2.8478       0.878031 1.42537      0.816226 1.66468  0.263724  1.15447  0.334319  
1 1 1 47 27 10 f 2.29427  0.136375  5.30302      0.625765 5.14348      0.893248 5.45679      0.876908 2.25001  0.198499  2.31922  0.189053  
1 1 1 47 27 11 o 1.06398  0.275276  1.21302      0.590083 1.80248      0.81347  0.558385     0.857258 1.2895   0.317188  0.878934 0.340858  
1 1 1 47 27 12 o 1.18558  0.280132  1.51588      0.654504 2.52688      0.904242 0.403346     0.948564 1.53054  0.306218  0.865806 0.350939  
1 1 1 47 27 13 o 3.17291  0.110626  10.1299      0.702012 10.068       0.946204 10.2056      1.04702  3.15506  0.14995   3.17278  0.165001  
1 1 1 47 27 14 o 2.69924  0.128285  7.35138      0.692543 7.08854      0.929908 7.67872      1.03775  2.64008  0.176114  2.74429  0.189075  
1 1 1 47 27 15 o 0.83156  0.313275  0.570624     0.709038 1.51259      1.03387  -0.265836    0.974247 1.18454  0.3832    0.734899 0.327128  
1 1 1 47 27 16 o 3.89095  0.109384  15.2494      0.851217 14.2538      1.19692  16.2683      1.21081  3.74636  0.159744  4.00558  0.15114   
1 1 1 47 27 17 o 3.95939  0.109255  15.798       0.865164 16.2597      1.15849  15.2158      1.30091  4.00512  0.144627  3.86523  0.168283  
1 1 1 47 27 18 o 2.9724   0.131202  8.9438       0.77997  8.27812      1.06197  9.72346      1.14929  2.84203  0.186832  3.08027  0.186557  
1 1 1 47 27 19 o 1.89231  0.196374  3.68499      0.743201 2.51114      1.03246  4.94733      1.07067  1.48997  0.3517    2.17511  0.246118  
1 1 1 47 27 20 o 1.14027  0.307776  1.44395      0.718257 1.78914      0.971289 1.02739      1.06698  1.25569  0.36504   1.03507  0.385408  
1 1 1 47 27 21 o 0.70014  0.288136  0.233405     0.649581 0.472652     0.957995 0.0297902    0.883779 0.864605 0.351872  0.743246 0.322078  
1 1 1 47 27 22 o 1.30451  0.293725  1.90808      0.747869 1.41427      1.04846  2.41957      1.06708  1.12382  0.385943  1.43578  0.369511  
1 1 1 47 27 23 o 2.04264  0.197372  4.35953      0.806317 4.09702      1.10325  4.66053      1.18136  1.93541  0.285018  2.06345  0.286259  
1 1 1 47 27 24 o 1.45549  0.282009  2.387        0.791622 1.22995      1.05621  3.87005      1.19578  1.05157  0.384705  1.81994  0.341124  
1 1 1 47 27 25 o 0.609242 0.280623  -0.412371    0.794121 -0.360487    1.11869  -0.465072    1.12747  0.73604  0.336526  0.724198 0.333878  
1 1 1 47 27 26 o 0.797206 0.326606  0.491826     0.830882 -0.668746    1.23287  1.4576       1.12466  0.719266 0.337368  1.08157  0.396849  
1 1 1 47 27 27 o 0.642299 0.291572  -0.179667    0.811516 -1.01877     1.14327  0.672451     1.1521   0.646472 0.30983   0.891273 0.376311  
1 1 1 47 27 28 o 1.30869  0.325861  2.1923       0.850642 1.665        1.20482  2.71641      1.20117  1.08263  0.40824   1.37008  0.408162  
1 1 1 47 27 29 o 0.79858  0.334473  0.636286     0.898118 0.202419     1.23263  1.12729      1.31128  0.781531 0.355991  0.935622 0.398512  
1 1 1 47 27 30 o 1.28398  0.386279  2.55852      1.07228  3.62348      1.50038  1.44672      1.53301  1.4043   0.461787  0.959773 0.420053  
1 1 1 47 27 31 o 0.798374 0.344182  0.873282     0.999379 0.812227     1.44345  0.929494     1.38502  0.810821 0.375321  0.822814 0.375482  
1 1 1 47 27 32 o 1.3455   0.387667  3.1517       1.10024  4.11987      1.64426  2.36676      1.48053  1.27666  0.477828  1.00057  0.424725  
1 1 1 47 28 0  o 5.41729  0.10787   29.4429      1.16768  29.4429      1.16768  29.4429      1.16768  5.42169  0.0761794 ?        ?         
1 1 1 47 28 1  o 5.49061  0.070971  30.2011      0.779348 30.7095      1.09237  29.674       1.11223  5.53188  0.0987341 5.43712  0.102281  
1 1 1 47 28 2  o 2.94915  0.0862229 8.72061      0.508569 8.87195      0.714759 8.56543      0.723776 2.97083  0.120296  2.91858  0.123994  
1 1 1 47 28 3  f 5.0129   0.0800105 25.1869      0.802169 23.0175      1.10951  27.5628      1.16113  4.78601  0.115912  5.23837  0.110829  
1 1 1 47 28 4  o 4.25487  0.0846454 18.1514      0.72031  17.5428      1.02833  18.7377      1.00928  4.17674  0.123102  4.31783  0.116874  
1 1 1 47 28 5  o 8.19754  0.091159  67.4095      1.49456  65.3823      2.09668  69.5036      2.13099  8.06021  0.130063  8.31111  0.128201  
1 1 1 47 28 6  o 1.78492  0.179112  3.2256       0.6394   2.93372      0.949279 3.468        0.865072 1.66165  0.296294  1.84263  0.234739  
1 1 1 47 28 7  o 2.27296  0.142403  5.20791      0.647352 6.09589      0.948385 4.43326      0.885803 2.45082  0.193483  2.08693  0.212226  
1 1 1 47 28 8  o 1.08499  0.272944  1.25884      0.592204 1.99163      0.861703 0.602952     0.815233 1.35715  0.321915  0.880755 0.334723  
1 1 1 47 28 9  o 0.917929 0.285558  0.871261     0.579452 0.583859     0.82139  1.15599      0.817561 0.876066 0.335095  1.05764  0.340626  
1 1 1 47 28 10 o 3.12463  0.111028  9.81941      0.693843 9.58171      1.01243  10.0299      0.952768 3.07611  0.164563  3.15029  0.151219  
1 1 1 47 28 11 o 1.81627  0.167632  3.34524      0.60893  3.08234      0.8286   3.65394      0.89788  1.73114  0.239322  1.88509  0.238154  
1 1 1 47 28 12 o 0.885974 0.291328  0.793982     0.597148 -0.117894    0.779405 2.09003      0.929192 0.683143 0.299244  1.3794   0.338814  
1 1 1 47 28 13 o 0.571817 0.257765  -0.278392    0.622648 -0.0277858   0.825059 -0.609953    0.94901  0.720117 0.311613  0.670024 0.307848  
1 1 1 47 28 14 o 1.78964  0.187541  3.26829      0.671261 3.59551      0.925304 2.90477      0.975279 1.863    0.248337  1.63629  0.309289  
1 1 1 47 28 15 o 2.44987  0.151122  6.08507      0.740457 6.93865      1.07657  5.31875      1.02005  2.60032  0.207006  2.27153  0.224528  
1 1 1 47 28 16 o 0.830273 0.310973  0.585952     0.69666  -0.154688    0.943483 1.47389      1.03305  0.740054 0.326501  1.16708  0.383179  
1 1 1 47 28 17 o 3.52817  0.115521  12.5653      0.815157 12.1585      1.10885  13.0436      1.20245  3.45568  0.160438  3.57613  0.168121  
1 1 1 47 28 18 o 3.38853  0.126783  11.6209      0.859214 12.1652      1.11488  10.8248      1.34837  3.45424  0.161378  3.2378   0.208224  
1 1 1 47 28 19 o 2.74845  0.145707  7.6772       0.800937 6.11463      1.08843  9.52266      1.18285  2.42625  0.224302  3.04195  0.194423  
1 1 1 47 28 20 o 1.25459  0.301093  1.75982      0.747007 1.49214      1.03136  2.0552       1.08342  1.15459  0.382865  1.32874  0.385297  
1 1 1 47 28 21 o 1.36146  0.268567  2.03451      0.705253 2.72233      0.984171 1.3085       1.01113  1.55018  0.327565  1.09341  0.378669  
1 1 1 47 28 22 o 0.602858 0.278058  -0.472149    0.783107 -2.3073      1.08488  1.5243       1.13155  0.535407 0.265767  1.14869  0.400318  
1 1 1 47 28 23 o 2.46788  0.165649  6.29604      0.817602 6.9977       1.12709  5.51672      1.18782  2.57059  0.219229  2.25473  0.263407  
1 1 1 47 28 24 o 1.59691  0.255586  2.77408      0.816299 2.74414      1.11313  2.80891      1.20067  1.49554  0.372992  1.49706  0.395169  
1 1 1 47 28 25 o 2.20271  0.193887  5.13867      0.854152 5.76301      1.23608  4.5681       1.18166  2.27159  0.272074  2.00428  0.294785  
1 1 1 47 28 26 o 0.883319 0.333619  0.854063     0.805701 1.13361      1.11759  0.551549     1.16261  0.98867  0.387996  0.873428 0.373729  
1 1 1 47 28 27 o 0.759825 0.318477  0.414061     0.815274 1.01619      1.16535  -0.163138    1.14097  0.952191 0.387898  0.742636 0.339675  
1 1 1 47 28 28 o 0.617085 0.286088  -0.294444    0.842905 0.313593     1.24602  -0.807467    1.14453  0.808366 0.364506  0.646999 0.310063  
1 1 1 47 28 29 o 0.775793 0.337339  0.489998     0.975814 1.20752      1.35514  -0.282723    1.4063   0.942694 0.403432  0.749847 0.353911  
1 1 1 47 28 30 o 1.2482   0.384785  2.57799      1.05534  2.68736      1.59254  2.49236      1.40918  1.10204  0.451944  1.10587  0.435154  
1 1 1 47 28 31 o 0.820583 0.350249  0.980337     1.01667  0.162395     1.45003  1.77122      1.42585  0.743035 0.354377  0.943219 0.40892   
1 1 1 47 28 32 o 0.750398 0.33731   0.946202     1.05871  0.583587     1.52791  1.28109      1.46834  0.715845 0.346412  0.779423 0.366052  
1 1 1 47 29 0  o 1.2791   0.354272  1.99926      0.782905 1.99926      0.782905 1.99926      0.782905 1.35745  0.221773  ?        ?         
1 1 1 47 29 1  o 3.80932  0.0799536 14.5466      0.609138 15.6318      0.872099 13.5128      0.851184 3.94443  0.110548  3.66646  0.116077  
1 1 1 47 29 2  o 3.77344  0.0748173 14.2698      0.564637 13.7069      0.791719 14.8524      0.805493 3.69405  0.107161  3.84569  0.104727  
1 1 1 47 29 3  o 0.68909  0.277126  0.243181     0.585009 -0.336731    0.858208 0.746537     0.799557 0.679913 0.304715  0.920461 0.334915  
1 1 1 47 29 4  o 3.57305  0.0974431 12.8147      0.696338 12.7954      1.01324  12.832       0.958571 3.56279  0.142198  3.56943  0.134275  
1 1 1 47 29 5  o 4.76438  0.0904875 22.7734      0.862234 23.3186      1.23907  22.2615      1.2006   4.81298  0.128722  4.70288  0.127646  
1 1 1 47 29 6  o 3.80822  0.0979837 14.5585      0.746288 15.4399      1.12676  13.8697      0.996097 3.91295  0.143979  3.71067  0.13422   
1 1 1 47 29 7  o 2.21371  0.141675  4.94143      0.627253 4.23892      0.915207 5.56373      0.861377 2.03739  0.224603  2.34218  0.183884  
1 1 1 47 29 8  o 4.41396  0.0908115 19.5561      0.801677 18.2968      1.1485   20.7528      1.11954  4.25989  0.134804  4.53985  0.123302  
1 1 1 47 29 9  o 2.12184  0.14667   4.55036      0.622419 5.88423      0.874566 3.18136      0.886013 2.40621  0.181731  1.75627  0.252243  
1 1 1 47 29 10 o 3.26134  0.118517  10.7118      0.773046 10.3978      1.13668  10.9821      1.05445  3.19919  0.17765   3.2927   0.16012   
1 1 1 47 29 11 o 2.89852  0.132731  8.4793       0.769448 8.63285      1.16142  8.35918      1.02722  2.90774  0.199711  2.86706  0.179143  
1 1 1 47 29 12 o 2.19746  0.1693    4.90732      0.744061 5.18626      1.0858   4.66036      1.02165  2.24015  0.242351  2.12406  0.240493  
1 1 1 47 29 13 o 0.983974 0.28945   1.03636      0.60719  1.30661      0.775873 0.609283     0.975345 1.09861  0.328193  0.919087 0.361908  
1 1 1 47 29 14 o 1.70508  0.19009   2.9714       0.648236 3.55787      0.889864 2.3083       0.946219 1.8537   0.240023  1.44457  0.333935  
1 1 1 47 29 15 o 1.64662  0.206726  2.78633      0.6808   3.26439      0.955555 2.2935       0.970206 1.76515  0.270673  1.43412  0.342482  
1 1 1 47 29 16 o 1.24861  0.287936  1.7091       0.704849 1.27945      0.934793 2.27526      1.07307  1.09386  0.364501  1.41448  0.373676  
1 1 1 47 29 17 o 2.85016  0.135309  8.23505      0.771307 7.78245      1.03515  8.8          1.1565   2.75348  0.187971  2.92393  0.197765  
1 1 1 47 29 18 o 3.6538   0.116299  13.4886      0.84987  13.0715      1.17316  13.9494      1.23286  3.57875  0.163906  3.69565  0.166799  
1 1 1 47 29 19 o 1.25433  0.302658  1.75795      0.751655 1.12636      1.01422  2.52755      1.11957  1.04782  0.377601  1.47529  0.377791  
1 1 1 47 29 20 o 2.6338   0.153778  7.08433      0.810041 7.1165       1.11077  7.04778      1.18386  2.61507  0.212378  2.59463  0.228137  
1 1 1 47 29 21 o 0.661452 0.291333  -0.0743581   0.747074 0.763152     1.04827  -0.938783    1.06498  0.944838 0.374195  0.655552 0.308987  
1 1 1 47 29 22 o 1.05506  0.324216  1.28139      0.75005  1.52222      1.02825  1.00753      1.0965   1.13715  0.382287  1.00247  0.386172  
1 1 1 47 29 23 o 1.60587  0.245208  2.77992      0.787543 4.08107      1.11401  1.47996      1.1135   1.91758  0.290473  1.11924  0.396413  
1 1 1 47 29 24 f 0.776113 0.319916  0.40735      0.802048 -0.940847    1.14592  1.70208      1.12296  0.669251 0.317447  1.16468  0.399474  
1 1 1 47 29 25 o 1.10711  0.341892  1.52609      0.832677 1.31241      1.1415   1.7691       1.21732  1.03875  0.395696  1.15442  0.413916  
1 1 1 47 29 26 o 0.848474 0.33358   0.735568     0.827424 1.06293      1.16884  0.406726     1.17147  0.971351 0.391271  0.844416 0.3684    
1 1 1 47 29 27 o 1.06558  0.350243  1.51956      0.86309  2.61936      1.20734  0.370092     1.2343   1.3319   0.41176   0.825661 0.367849  
1 1 1 47 29 28 o 1.74235  0.269998  3.64102      0.940864 3.63889      1.31858  3.64322      1.34292  1.54248  0.417313  1.53244  0.424084  
1 1 1 47 29 29 o 0.686422 0.313686  0.0653311    0.970665 -0.106568    1.42311  0.214875     1.32735  0.751283 0.355131  0.772386 0.35844   
1 1 1 47 29 30 o 0.729625 0.32758   0.499248     0.995754 0.418047     1.4478   0.572138     1.3717   0.76602  0.360824  0.776674 0.361948  
1 1 1 47 29 31 o 0.669896 0.312646  0.145462     1.02823  -0.351753    1.55435  0.532343     1.37109  0.693854 0.338896  0.753944 0.35402   
1 1 1 47 30 0  o 6.18637  0.112545  38.4061      1.39145  38.4061      1.39145  38.4061      1.39145  6.19179  0.0794818 ?        ?         
1 1 1 47 30 1  o 0.641927 0.258419  0.205148     0.509417 0.879276     0.717042 -0.481849    0.723854 0.945112 0.319237  0.589745 0.270081  
1 1 1 47 30 2  o 3.59202  0.0788382 12.9348      0.566376 13.6462      0.821537 12.2905      0.781888 3.68479  0.111477  3.49692  0.111797  
1 1 1 47 30 3  o 3.58291  0.097836  12.8868      0.701076 14.9902      1.03678  11.1148      0.951623 3.85753  0.134385  3.32     0.143317  
1 1 1 47 30 4  o 1.27494  0.248628  1.72018      0.611355 1.99688      0.911881 1.49427      0.823961 1.35514  0.337362  1.17819  0.33421   
1 1 1 47 30 5  o 1.34718  0.242483  1.91499      0.629528 1.9577       0.903579 1.8747       0.877566 1.3405   0.337104  1.31256  0.333505  
1 1 1 47 30 6  o 3.90824  0.0953405 15.3393      0.745228 14.766       1.0789   15.8625      1.03058  3.82493  0.141036  3.96717  0.129889  
1 1 1 47 30 7  o 1.93559  0.162287  3.7956       0.628242 4.25648      0.89385  3.34566      0.883183 2.03907  0.219181  1.80259  0.244976  
1 1 1 47 30 8  o 3.56086  0.0995724 12.7431      0.709128 11.529       0.979002 14.0832      1.02855  3.37766  0.144923  3.73501  0.13769   
1 1 1 47 30 9  o 3.18138  0.128203  10.2067      0.815726 11.0372      1.15729  9.38661      1.14997  3.29617  0.175551  3.03584  0.189399  
1 1 1 47 30 10 o 2.24419  0.168348  5.11436      0.75561  4.71594      1.06324  5.5209       1.07403  2.13564  0.248926  2.31577  0.231896  
1 1 1 47 30 11 o 2.9534   0.139399  8.81986      0.823404 9.4665       1.19135  8.22847      1.13933  3.04337  0.195729  2.83576  0.200886  
1 1 1 47 30 12 o 3.31928  0.131876  11.1308      0.875466 11.7869      1.28011  10.5543      1.19996  3.39776  0.188376  3.21582  0.186572  
1 1 1 47 30 13 o 1.64646  0.24763   2.81325      0.815426 3.21266      1.13863  2.39274      1.16832  1.70438  0.346078  1.45263  0.392732  
1 1 1 47 30 14 o 1.78593  0.239467  3.30885      0.855342 3.58682      1.18551  3.00705      1.2353   1.80237  0.341279  1.62767  0.385017  
1 1 1 47 30 15 o 1.01126  0.287848  1.11353      0.610196 1.75984      0.803939 0.235186     0.937205 1.25843  0.318884  0.813136 0.341172  
1 1 1 47 30 16 o 2.28734  0.155003  5.32627      0.70909  5.53164      0.94039  5.05563      1.07956  2.31646  0.20298   2.19939  0.245423  
1 1 1 47 30 17 o 1.18988  0.295889  1.56668      0.702056 1.18748      0.970657 1.98267      1.01665  1.06525  0.370811  1.31814  0.370382  
1 1 1 47 30 18 o 1.88038  0.204745  3.66029      0.769997 3.39068      1.05822  3.96366      1.1225   1.74955  0.313806  1.92347  0.291789  
1 1 1 47 30 19 o 0.822633 0.320509  0.534076     0.759785 -0.00757484  1.07513  1.07446      1.07387  0.803421 0.351698  1.04031  0.386791  
1 1 1 47 30 20 o 2.40677  0.161888  5.94967      0.779252 5.83991      1.07989  6.06892      1.12558  2.35365  0.229409  2.3964   0.234849  
1 1 1 47 30 21 o 1.75459  0.231256  3.2721       0.811516 3.45026      1.19353  3.11891      1.1067   1.70853  0.360504  1.62936  0.349693  
1 1 1 47 30 22 o 1.59314  0.241096  2.72398      0.768201 2.83928      1.06776  2.60026      1.10605  1.54372  0.353312  1.46023  0.37643   
1 1 1 47 30 23 o 1.18574  0.323268  1.67244      0.787501 1.74282      1.12895  1.60573      1.09904  1.18203  0.400571  1.1436   0.394909  
1 1 1 47 30 24 o 1.83309  0.225485  3.64251      0.826668 2.08861      1.18546  5.11341      1.15337  1.2533   0.410473  2.13525  0.270078  
1 1 1 47 30 25 o 1.36752  0.317635  2.28713      0.852876 2.91174      1.1866   1.61961      1.2267   1.47613  0.394317  1.10754  0.413078  
1 1 1 47 30 26 o 1.36684  0.325276  2.35875      0.877552 2.00341      1.24711  2.70727      1.23507  1.17439  0.419162  1.36997  0.415053  
1 1 1 47 30 27 o 0.667469 0.303353  -0.0435881   0.884108 -0.317292    1.18791  0.296283     1.32373  0.709373 0.332445  0.815098 0.370645  
1 1 1 47 30 28 o 0.667647 0.307644  -0.116487    0.955609 0.89189      1.45739  -0.877008    1.26567  0.896198 0.399481  0.659823 0.318585  
1 1 1 47 30 29 o 0.878157 0.358682  1.19239      0.99906  1.48649      1.45617  0.930825     1.37324  0.917359 0.405058  0.83804  0.380015  
1 1 1 47 30 30 o 0.604671 0.290569  -0.496329    1.02244  -1.11198     1.45195  0.109245     1.44002  0.642034 0.316197  0.738012 0.352259  
1 1 1 47 30 31 o 1.08894  0.3826    2.45168      1.03538  2.48402      1.47993  2.42067      1.44906  0.92892  0.40949   0.926432 0.406904  
1 1 1 47 31 0  o 1.87365  0.217074  3.68567      0.788635 3.68567      0.788635 3.68567      0.788635 1.89778  0.149035  ?        ?         
1 1 1 47 31 1  o 3.04301  0.0966475 9.29993      0.588198 9.85356      0.813046 8.69198      0.851995 3.12684  0.130011  2.93395  0.145196  
1 1 1 47 31 2  o 2.57568  0.0993734 6.66504      0.511908 6.50148      0.720686 6.8316       0.727254 2.53779  0.141991  2.60181  0.139759  
1 1 1 47 31 3  o 2.10621  0.152284  4.48624      0.641486 3.52461      0.939503 5.3261       0.878011 1.84873  0.254094  2.28753  0.191912  
1 1 1 47 31 4  o 1.12848  0.273918  1.3718       0.612865 1.57314      0.895539 1.19443      0.840518 1.20347  0.350728  1.0693   0.345475  
1 1 1 47 31 5  o 4.42718  0.0931529 19.6852      0.824809 18.6019      1.14359  20.8597      1.19075  4.29403  0.13316   4.54783  0.130914  
1 1 1 47 31 6  o 5.48097  0.0876396 30.1577      0.9607   30.6044      1.35495  29.7061      1.36235  5.51112  0.122929  5.42878  0.125475  
1 1 1 47 31 7  o 2.70818  0.11857   7.38743      0.642214 7.58038      0.929331 7.21107      0.888501 2.73289  0.170027  2.66627  0.166619  
1 1 1 47 31 8  o 2.40566  0.159173  5.86656      0.765832 5.86074      1.07976  5.87245      1.08638  2.38797  0.226083  2.39001  0.227274  
1 1 1 47 31 9  o 3.60922  0.117828  13.1294      0.850536 13.1248      1.19041  13.1343      1.21567  3.59475  0.165576  3.59486  0.169085  
1 1 1 47 31 10 o 2.91878  0.135655  8.61063      0.791895 8.8765       1.11243  8.3375       1.12754  2.94887  0.18862   2.85515  0.197457  
1 1 1 47 31 11 o 2.77869  0.152138  7.82849      0.845486 7.8756       1.24645  7.78834      1.15068  2.76429  0.225456  2.75475  0.208854  
1 1 1 47 31 12 o 2.71711  0.157613  7.49735      0.856503 9.07142      1.25383  6.12019      1.17279  2.97034  0.211058  2.42956  0.241357  
1 1 1 47 31 13 o 2.92664  0.149545  8.69198      0.87533  9.63159      1.27021  7.84224      1.20794  3.06003  0.207549  2.75681  0.219083  
1 1 1 47 31 14 o 1.59182  0.259411  2.65622      0.825869 2.05196      1.13425  3.33806      1.20486  1.34081  0.395988  1.72175  0.361411  
1 1 1 47 31 15 o 0.703337 0.303458  0.0168871    0.778083 -0.231468    1.07622  0.288862     1.12624  0.771943 0.343714  0.882403 0.37229   
1 1 1 47 31 16 o 3.67641  0.125086  13.6778      0.919736 15.1065      1.32186  12.3371      1.28053  3.8434   0.171965  3.46742  0.184652  
1 1 1 47 31 17 o 1.56086  0.230523  2.54423      0.719629 1.62057      1.01361  3.48301      1.02186  1.19632  0.378671  1.80715  0.282728  
1 1 1 47 31 18 o 3.16316  0.128901  10.1523      0.815471 9.46233      1.11062  10.9594      1.20119  3.03145  0.183184  3.26198  0.184121  
1 1 1 47 31 19 o 0.967539 0.327198  1.00976      0.753247 0.870826     1.05975  1.15162      1.07085  0.976607 0.378931  1.05093  0.38708   
1 1 1 47 31 20 o 0.759463 0.313881  0.320272     0.774727 0.579461     1.15407  0.107659     1.04525  0.921892 0.382179  0.800749 0.348678  
1 1 1 47 31 21 o 2.46161  0.174198  6.28838      0.857616 4.10619      1.24597  8.25305      1.18224  1.87337  0.345518  2.79605  0.211413  
1 1 1 47 31 22 o 0.969994 0.332104  1.06271      0.776008 2.18036      1.12029  0.0317995    1.07594  1.31698  0.394555  0.786042 0.347485  
1 1 1 47 31 23 o 0.738587 0.311348  0.284872     0.786587 1.11717      1.13885  -0.474365    1.08772  1.00545  0.392263  0.703426 0.325684  
1 1 1 47 31 24 o 0.636403 0.289242  -0.208336    0.803891 0.0867375    1.15014  -0.490178    1.12406  0.791674 0.35383   0.702725 0.32755   
1 1 1 47 31 25 o 0.723301 0.314131  0.202446     0.844233 0.301802     1.16707  0.0933871    1.22273  0.822455 0.362958  0.80185  0.361352  
1 1 1 47 31 26 o 1.50326  0.322677  2.8947       0.942177 2.31444      1.26627  3.61436      1.41019  1.22134  0.423685  1.53003  0.438257  
1 1 1 47 31 27 o 0.489809 0.24331   -1.68185     0.917675 -1.03365     1.29251  -2.34075     1.30313  0.656305 0.317775  0.565787 0.282271  
1 1 1 47 31 28 o 0.948039 0.363691  1.40151      0.969884 0.408982     1.34352  2.48164      1.40157  0.786948 0.363438  1.13081  0.436394  
1 1 1 47 31 29 o 0.822871 0.350691  1.02166      1.0165   2.38804      1.51162  -0.106271    1.37341  1.02225  0.431301  0.70327  0.337663  
1 1 1 47 31 30 o 0.593125 0.286879  -0.508857    1.04278  1.26977      1.49517  -2.19335     1.45507  0.831768 0.383857  0.563409 0.283747  
1 1 1 47 32 0  o 4.15398  0.120264  17.3617      0.997252 17.3617      0.997252 17.3617      0.997252 4.16039  0.084827  ?        ?         
1 1 1 47 32 1  o 3.61905  0.0881717 13.149       0.638195 12.6211      0.876922 13.7434      0.930553 3.53894  0.123896  3.69244  0.126008  
1 1 1 47 32 2  o 3.81113  0.0832129 14.5757      0.63427  14.6663      0.825547 14.4452      0.990914 3.81837  0.108102  3.78429  0.130925  
1 1 1 47 32 3  o 3.06122  0.116759  9.4361       0.714849 9.13286      1.04435  9.70343      0.980561 2.99899  0.174117  3.09532  0.158394  
1 1 1 47 32 4  o 1.02904  0.286749  1.13782      0.61186  1.18246      0.899469 1.09936      0.834752 1.07113  0.357548  1.0349   0.344445  
1 1 1 47 32 5  o 2.83774  0.118513  8.113        0.672621 7.56193      0.943996 8.68128      0.958632 2.72818  0.173009  2.9255   0.16384   
1 1 1 47 32 6  o 1.27112  0.240678  1.71737      0.589627 0.810403     0.820524 2.68579      0.847866 0.937278 0.33945   1.60817  0.263612  
1 1 1 47 32 7  o 2.2736   0.171595  5.25608      0.780275 5.75812      1.16238  4.84431      1.0527   2.35894  0.246378  2.16462  0.243162  
1 1 1 47 32 8  o 1.57326  0.243352  2.56035      0.765714 2.90245      1.12323  2.26335      1.04659  1.6168   0.356923  1.4234   0.365725  
1 1 1 47 32 9  o 2.13426  0.183045  4.64584      0.781333 3.98644      1.12205  5.26657      1.08865  1.94908  0.287841  2.25611  0.241268  
1 1 1 47 32 10 o 2.20908  0.180989  4.97822      0.799639 4.81225      1.12575  5.14722      1.13604  2.1485   0.261985  2.22428  0.255372  
1 1 1 47 32 11 o 1.07714  0.335725  1.25314      0.800424 1.8196       1.22918  0.8361       1.05469  1.28096  0.417975  0.992133 0.379648  
1 1 1 47 32 12 o 1.20937  0.324001  1.62133      0.799681 0.560394     1.17449  2.53824      1.09186  0.956073 0.389437  1.49853  0.366783  
1 1 1 47 32 13 o 2.00072  0.205791  4.12728      0.823462 5.06232      1.16296  3.18713      1.16614  2.19433  0.264993  1.68177  0.357447  
1 1 1 47 32 14 o 1.39684  0.303514  2.15657      0.824193 2.3017       1.1173   1.98332      1.22072  1.41469  0.384774  1.31521  0.415486  
1 1 1 47 32 15 o 1.17357  0.331958  1.53978      0.814012 2.1686       1.13752  0.879802     1.16536  1.37073  0.393934  1.0178   0.39686   
1 1 1 47 32 16 o 2.85972  0.154884  8.34217      0.885848 6.8972       1.25641  9.77057      1.24918  2.56275  0.245128  3.07325  0.203235  
1 1 1 47 32 17 o 2.34884  0.179324  5.67352      0.842408 5.84913      1.16797  5.48311      1.21618  2.35538  0.247936  2.27078  0.26779   
1 1 1 47 32 18 o 1.55236  0.250708  2.56137      0.778379 3.48832      1.18014  1.84763      1.03556  1.74141  0.351162  1.25456  0.380047  
1 1 1 47 32 19 o 0.825288 0.321264  0.576968     0.763025 -0.183898    1.12005  1.23587      1.0423   0.775452 0.347807  1.0604   0.382727  
1 1 1 47 32 20 o 1.46965  0.280303  2.42671      0.794331 0.801484     1.18188  3.76565      1.07274  0.967955 0.391981  1.84692  0.290414  
1 1 1 47 32 21 o 1.57975  0.252156  2.70726      0.796687 2.05141      1.20059  3.22327      1.06494  1.27434  0.413013  1.65671  0.333115  
1 1 1 47 32 22 o 2.06817  0.195984  4.52895      0.810656 5.10895      1.18117  4.01248      1.1146   2.13898  0.276107  1.88075  0.296319  
1 1 1 47 32 23 o 1.19773  0.326378  1.76884      0.802965 3.02571      1.14377  0.54742      1.12753  1.53133  0.375765  0.868662 0.36975   
1 1 1 47 32 24 o 0.742252 0.316802  0.29913      0.831708 -0.27589     1.15069  0.92815      1.20351  0.734945 0.338226  0.947292 0.391345  
1 1 1 47 32 25 o 0.792425 0.331218  0.543383     0.877935 2.34163      1.18395  -1.65326     1.30855  1.26169  0.410212  0.626183 0.307105  
1 1 1 47 32 26 o 1.41729  0.334642  2.68238      0.934523 2.33553      1.27316  3.08756      1.37606  1.20018  0.424002  1.36826  0.442038  
1 1 1 47 32 27 o 0.975711 0.372716  1.40375      1.01508  1.38888      1.52842  1.41548      1.35777  0.964376 0.420766  0.968358 0.408673  
1 1 1 47 32 28 o 0.720208 0.321856  0.437053     0.951445 0.676094     1.36927  0.213888     1.32302  0.798676 0.36811   0.73982  0.347455  
1 1 1 47 32 29 o 0.744573 0.333909  0.568981     1.032    0.193172     1.46409  0.940081     1.45489  0.744655 0.355373  0.82349  0.379508  
1 1 1 47 32 30 o 0.668546 0.313708  0.362158     1.07004  0.11091      1.60224  0.56443      1.43762  0.685663 0.337413  0.710937 0.342344  
1 1 1 47 33 0  o 0.959776 0.414818  1.36151      0.814338 1.36151      0.814338 1.36151      0.814338 1.03687  0.318346  ?        ?         
1 1 1 47 33 1  o 2.36878  0.121401  5.65668      0.575145 5.0555       0.800326 6.29873      0.827091 2.22866  0.179553  2.49081  0.166029  
1 1 1 47 33 2  o 2.75491  0.102475  7.63385      0.564619 6.46196      0.710273 9.64574      0.930643 2.52814  0.140474  3.08622  0.150774  
1 1 1 47 33 3  o 4.65423  0.0952154 21.7729      0.886308 21.1115      1.37858  22.239       1.15715  4.56524  0.150986  4.6956   0.123217  
1 1 1 47 33 4  o 1.30685  0.255423  1.82601      0.643788 0.960366     0.963872 2.52323      0.865035 1.01148  0.367752  1.52882  0.293374  
1 1 1 47 33 5  o 2.39005  0.136371  5.77372      0.651865 5.21142      0.936879 6.30138      0.907571 2.25482  0.20775   2.48637  0.18251   
1 1 1 47 33 6  o 1.97489  0.181817  3.97574      0.718137 3.97395      1.08876  3.97711      0.955451 1.94937  0.279258  1.96041  0.243687  
1 1 1 47 33 7  o 3.27059  0.130406  10.8054      0.85301  9.66778      1.29394  11.6798      1.13441  3.06873  0.210827  3.38926  0.167354  
1 1 1 47 33 8  o 3.44287  0.13768   11.991       0.948028 11.7339      1.38287  12.219       1.30219  3.38212  0.204438  3.45792  0.188291  
1 1 1 47 33 9  o 2.4107   0.175729  5.92502      0.847257 6.96982      1.19763  4.87824      1.19877  2.59629  0.230643  2.15609  0.277997  
1 1 1 47 33 10 o 1.00795  0.335415  1.06082      0.791559 0.573092     1.15939  1.48666      1.08334  0.955619 0.38772   1.17386  0.392396  
1 1 1 47 33 11 o 0.95237  0.338934  0.887846     0.814877 1.36547      1.22955  0.513734     1.08818  1.15386  0.415762  0.920991 0.374952  
1 1 1 47 33 12 o 2.29568  0.18657   5.40698      0.85661  5.82302      1.24182  5.02931      1.18317  2.35296  0.263884  2.18384  0.270891  
1 1 1 47 33 13 o 1.22087  0.324115  1.66606      0.804815 1.7591       1.10836  1.56229      1.17055  1.24747  0.396088  1.19431  0.407883  
1 1 1 47 33 14 o 2.10819  0.205228  4.58845      0.865319 3.92534      1.21364  5.27412      1.23411  1.90834  0.317984  2.23179  0.276484  
1 1 1 47 33 15 o 0.797783 0.324132  0.378001     0.811526 -1.27036     1.10404  2.31535      1.19692  0.640667 0.306426  1.40362  0.404318  
1 1 1 47 33 16 f 1.00011  0.335636  1.07221      0.7926   1.2859       1.09639  0.838283     1.14714  1.09999  0.392976  0.99555  0.39234   
1 1 1 47 33 17 o 2.59623  0.179504  6.95716      0.932065 7.00244      1.29766  6.9089       1.33961  2.56609  0.252849  2.5424   0.263454  
1 1 1 47 33 18 o 1.50204  0.289093  2.53052      0.837471 2.74262      1.18111  2.31606      1.18764  1.50367  0.389653  1.37434  0.404982  
1 1 1 47 33 19 o 1.61018  0.245796  2.78501      0.79155  2.29746      1.19611  3.16489      1.05581  1.35839  0.407835  1.65106  0.331412  
1 1 1 47 33 20 o 1.54269  0.25388   2.58134      0.783317 2.52437      1.17791  2.6265       1.04885  1.4186   0.398697  1.47504  0.358526  
1 1 1 47 33 21 o 2.14611  0.185483  4.84279      0.796132 5.25238      1.18138  4.50204      1.07757  2.17558  0.27151   2.01744  0.267062  
1 1 1 47 33 22 o 1.0004   0.337432  1.20349      0.801104 1.01111      1.12638  1.40041      1.1396   0.969944 0.386703  1.06449  0.397921  
1 1 1 47 33 23 o 0.802896 0.323907  0.576363     0.802729 1.46497      1.13922  -0.299904    1.13128  1.06796  0.398125  0.727989 0.335166  
1 1 1 47 33 24 o 2.02289  0.22996   4.5618       0.930367 5.03282      1.25262  3.98224      1.38947  2.04468  0.306312  1.67946  0.415427  
1 1 1 47 33 25 o 0.447668 0.225257  -2.22187     0.900175 -1.8006      1.23479  -2.69972     1.31508  0.586221 0.289283  0.552573 0.276323  
1 1 1 47 33 26 o 0.694544 0.313405  0.101709     0.922777 0.478093     1.37948  -0.203111    1.24142  0.83421  0.379078  0.725422 0.339946  
1 1 1 47 33 27 f 0.723099 0.321451  0.422822     0.937948 1.19318      1.34183  -0.313219    1.3116   0.882832 0.389449  0.694194 0.332498  
1 1 1 47 33 28 o 0.768454 0.336981  0.727507     0.990599 0.979205     1.43291  0.497093     1.37098  0.827296 0.37934   0.766386 0.358803  
1 1 1 47 33 29 o 0.572838 0.279663  -0.664431    1.05468  0.518104     1.59861  -1.57587     1.40346  0.740099 0.357487  0.576862 0.288431  
1 1 1 47 34 0  o 1.97044  0.217503  4.07354      0.833327 4.07354      0.833327 4.07354      0.833327 1.99533  0.14959   ?        ?         
1 1 1 47 34 1  f 1.35119  0.201032  1.86897      0.543266 1.4656       0.772887 2.26288      0.763782 1.15726  0.322217  1.4518   0.273079  
1 1 1 47 34 2  o 2.94807  0.117307  8.76144      0.691657 9.24647      1.01015  8.33335      0.949012 3.016    0.167465  2.8637   0.165697  
1 1 1 47 34 3  o 1.12172  0.287406  1.36889      0.647685 1.14803      0.990102 1.5341       0.856323 1.06849  0.374261  1.18231  0.342448  
1 1 1 47 34 4  o 2.74795  0.122425  7.61905      0.672838 7.72713      0.998183 7.52906      0.910873 2.75269  0.18131   2.72109  0.167373  
1 1 1 47 34 5  o 3.42734  0.109222  11.8319      0.748681 11.0752      1.07729  12.5388      1.04122  3.30114  0.16317   3.51751  0.148005  
1 1 1 47 34 6  f 2.80678  0.157392  7.99903      0.883528 8.49327      1.2875   7.55911      1.21467  2.86944  0.224347  2.70704  0.224355  
1 1 1 47 34 7  o 1.77123  0.244158  3.25644      0.864921 1.99774      1.20202  4.60785      1.2455   1.33102  0.410724  2.08772  0.298292  
1 1 1 47 34 8  o 7.39087  0.124886  55.1868      1.84604  54.4435      2.46962  56.128       2.77908  7.30987  0.168924  7.40607  0.187622  
1 1 1 47 34 9  o 0.781048 0.322846  0.271295     0.819787 -0.658215    1.20129  1.08145      1.12152  0.757011 0.347204  1.06541  0.395448  
1 1 1 47 34 10 o 1.86901  0.219857  3.61733      0.821829 3.24075      1.18965  3.96111      1.13665  1.69388  0.361775  1.9299   0.294483  
1 1 1 47 34 11 o 3.08354  0.1498    9.66851      0.92383  8.78811      1.33198  10.4846      1.28242  2.90781  0.229035  3.19001  0.201005  
1 1 1 47 34 12 o 1.69218  0.242762  2.99196      0.821594 1.17842      1.17689  4.716        1.14748  1.09329  0.405233  2.11306  0.271521  
1 1 1 47 34 13 f 1.747    0.240274  3.18958      0.839515 3.36345      1.15806  2.99699      1.21878  1.73042  0.34685   1.6128   0.383032  
1 1 1 47 34 14 o 1.34749  0.31063   2.03522      0.820564 2.22968      1.15624  1.83789      1.16472  1.37838  0.397498  1.2615   0.406591  
1 1 1 47 34 15 o 2.69422  0.16481   7.43315      0.888068 7.48701      1.1768   7.3619       1.35349  2.67954  0.21959   2.63737  0.256599  
1 1 1 47 34 16 o 1.83623  0.227628  3.54784      0.835956 3.07732      1.15091  4.0733       1.21624  1.62471  0.36337   1.92434  0.316014  
1 1 1 47 34 17 o 1.83982  0.239092  3.60371      0.879771 3.55273      1.24855  3.65399      1.23986  1.72978  0.371589  1.76084  0.364395  
1 1 1 47 34 18 o 1.0127   0.34236   1.15715      0.824675 -0.324062    1.18709  2.53879      1.1465   0.772162 0.351088  1.43831  0.389132  
1 1 1 47 34 19 o 0.946068 0.33567   0.973654     0.798715 0.683319     1.11522  1.27941      1.14445  0.924756 0.378545  1.06865  0.398908  
1 1 1 47 34 20 o 0.67768  0.298511  -0.00936628  0.784501 1.43905      1.10713  -1.47001     1.11179  1.09512  0.39453   0.604685 0.293296  
1 1 1 47 34 21 o 0.72881  0.31142   0.229916     0.805309 0.04473      1.14032  0.414167     1.13744  0.790681 0.35288   0.852805 0.367412  
1 1 1 47 34 22 o 1.92806  0.218525  4.04877      0.84266  3.8158       1.1854   4.28676      1.19811  1.74743  0.351539  1.90272  0.31484   
1 1 1 47 34 23 o 0.782755 0.328181  0.462926     0.866121 0.898526     1.15717  -0.0919827   1.30606  0.926358 0.383279  0.79184  0.362697  
1 1 1 47 34 24 o 1.8692   0.259583  4.08039      0.970422 4.79099      1.33989  3.29643      1.40736  1.88523  0.36851   1.44022  0.444424  
1 1 1 47 34 25 o 0.98587  0.355847  1.36085      0.901042 1.8486       1.33532  0.953113     1.22089  1.0716   0.422984  0.895638 0.383099  
1 1 1 47 34 26 o 0.966604 0.359076  1.42124      0.925084 1.29846      1.33519  1.5346       1.28291  0.921231 0.397495  0.96522  0.401716  
1 1 1 47 34 27 o 0.496262 0.246832  -1.51703     0.95975  -1.72316     1.43904  -1.35189     1.28806  0.600194 0.299041  0.592309 0.293049  
1 1 1 47 34 28 o 0.604081 0.289157  -0.362769    0.988079 -1.30222     1.34449  0.740478     1.45699  0.600298 0.297582  0.788722 0.369372  
1 1 1 47 35 0  o 1.29291  0.342738  2.02993      0.763831 2.02993      0.763831 2.02993      0.763831 1.36977  0.212418  ?        ?         
1 1 1 47 35 1  o 4.63168  0.079347  21.5363      0.73502  22.5577      1.05283  20.5652      1.02662  4.73116  0.111265  4.51662  0.113649  
1 1 1 47 35 2  o 2.33458  0.139002  5.51597      0.649021 4.50702      0.982203 6.29795      0.864695 2.08681  0.235336  2.48595  0.173916  
1 1 1 47 35 3  o 3.35856  0.110632  11.367       0.743126 11.6185      1.11938  11.1688      0.99369  3.37917  0.165629  3.31836  0.149726  
1 1 1 47 35 4  o 2.51994  0.137353  6.42692      0.692243 7.05208      1.04773  5.94259      0.922202 2.62198  0.199797  2.4094   0.191376  
1 1 1 47 35 5  o 2.13457  0.177367  4.6502       0.757205 5.92067      1.08078  3.42537      1.06119  2.39345  0.225778  1.80006  0.294764  
1 1 1 47 35 6  o 2.09408  0.202055  4.50536      0.846236 5.60526      1.19516  3.39957      1.19836  2.31629  0.257991  1.74533  0.355636  
1 1 1 47 35 7  o 1.11499  0.328839  1.36753      0.782712 0.917142     1.09679  1.83495      1.11734  1.01799  0.387847  1.27591  0.396453  
1 1 1 47 35 8  o 5.387    0.12367   29.3458      1.33242  32.0723      1.72531  25.3167      2.09735  5.61495  0.153636  4.95094  0.211813  
1 1 1 47 35 9  o 3.98466  0.121105  16.052       0.965123 17.4814      1.43657  14.8761      1.30297  4.13468  0.173722  3.81558  0.170743  
1 1 1 47 35 10 o 0.712811 0.306783  0.0363107    0.791464 -0.246791    1.12957  0.309346     1.1093   0.78801  0.351463  0.880905 0.370464  
1 1 1 47 35 11 f 0.721617 0.310613  0.0410312    0.811546 -1.44891     1.20575  1.27499      1.0973   0.663611 0.318078  1.10653  0.393356  
1 1 1 47 35 12 o 2.72701  0.165455  7.60238      0.902397 9.05474      1.30139  6.25736      1.25238  2.95131  0.220477  2.43687  0.256966  
1 1 1 47 35 13 o 1.87708  0.220873  3.67403      0.829192 4.61896      1.18621  2.77111      1.15955  2.07638  0.285644  1.54308  0.378162  
1 1 1 47 35 14 o 2.03943  0.208167  4.32198      0.849084 4.71159      1.17621  3.89802      1.22697  2.09731  0.280409  1.8563   0.343415  
1 1 1 47 35 15 o 3.1513   0.153147  10.1697      0.965224 9.51431      1.31163  10.9438      1.42554  3.01259  0.217692  3.22889  0.220748  
1 1 1 47 35 16 o 1.92618  0.233085  3.93964      0.897928 2.91099      1.2402   5.07295      1.30176  1.5431   0.399003  2.14214  0.303846  
1 1 1 47 35 17 o 0.714103 0.308583  0.0889233    0.806973 0.318858     1.16136  -0.125736    1.12212  0.868539 0.372644  0.781414 0.349362  
1 1 1 47 35 18 o 0.607119 0.279554  -0.4276      0.78729  -1.05606     1.10122  0.229445     1.12599  0.647556 0.308837  0.838368 0.363424  
1 1 1 47 35 19 o 1.07673  0.339309  1.38322      0.814619 0.48748      1.12819  2.35895      1.17748  0.878579 0.371738  1.35614  0.404141  
1 1 1 47 35 20 o 0.496818 0.242348  -1.21519     0.786046 -0.885699    1.08507  -1.57904     1.14025  0.64947  0.308461  0.59971  0.292421  
1 1 1 47 35 21 o 1.6768   0.243938  3.1206       0.818068 3.85141      1.15592  2.38725      1.15793  1.76954  0.338694  1.3272   0.401839  
1 1 1 47 35 22 o 2.02853  0.214357  4.48593      0.869656 4.20828      1.18272  4.81275      1.28317  1.84754  0.332165  2.00063  0.320693  
1 1 1 47 35 23 o 1.6271   0.29581   3.24463      0.927079 3.72648      1.29593  2.73955      1.32679  1.61889  0.401664  1.32809  0.434253  
1 1 1 47 35 24 o 0.586948 0.276576  -0.49326     0.852143 -1.85066     1.21294  0.829654     1.19743  0.572981 0.283701  0.873942 0.376753  
1 1 1 47 35 25 o 1.12117  0.352109  1.8176       0.878234 1.49272      1.26938  2.1159       1.21634  0.982961 0.403365  1.1297   0.412882  
1 1 1 47 35 26 o 0.761864 0.334093  0.646837     0.97371  0.899402     1.42849  0.427646     1.33077  0.831656 0.380258  0.766933 0.35706   
1 1 1 47 35 27 o 1.93976  0.265099  4.80076      1.02846  4.09942      1.43824  5.53463      1.47123  1.44595  0.449899  1.81222  0.4147    
1 1 1 47 35 28 o 0.719933 0.325488  0.757677     1.00006  0.407994     1.39926  1.12281      1.42984  0.69494  0.335401  0.764018 0.359501  
1 1 1 47 36 0  o 3.59071  0.129577  13.0158      0.927801 13.0158      0.927801 13.0158      0.927801 3.59925  0.0912701 ?        ?         
1 1 1 47 36 1  o 1.07321  0.248784  1.24447      0.524021 2.09472      0.748139 0.425568     0.734213 1.38961  0.279014  0.792068 0.313331  
1 1 1 47 36 2  o 3.50907  0.104033  12.4043      0.730117 13.1733      1.04382  11.6675      1.02162  3.60387  0.14482   3.38967  0.150696  
1 1 1 47 36 3  o 1.14166  0.294902  1.43237      0.677914 1.41841      0.997097 1.44437      0.924449 1.14392  0.376452  1.14691  0.361466  
1 1 1 47 36 4  o 3.82159  0.104016  14.7163      0.795011 15.5265      1.18598  14.0551      1.07137  3.90874  0.151709  3.7219   0.143927  
1 1 1 47 36 5  o 0.794296 0.31912   0.391531     0.774654 1.11696      1.08899  -0.351577    1.10218  1.06636  0.390579  0.763204 0.343554  
1 1 1 47 36 6  o 2.93444  0.147215  8.75005      0.863986 8.57483      1.16802  8.96176      1.2839   2.88469  0.202452  2.94204  0.218199  
1 1 1 47 36 7  o 2.47432  0.168585  6.25299      0.834269 6.12932      1.17272  6.37971      1.18708  2.42309  0.241988  2.47293  0.240015  
1 1 1 47 36 8  o 2.14524  0.195706  4.73564      0.839672 4.97324      1.20848  4.51387      1.16753  2.16707  0.278828  2.06284  0.282991  
1 1 1 47 36 9  o 3.58191  0.135495  13.0104      0.970663 12.6319      1.45939  13.3107      1.29987  3.49624  0.208708  3.60374  0.18035   
1 1 1 47 36 10 o 1.30584  0.30387   1.89407      0.779419 2.17597      1.09899  1.60878      1.10557  1.37302  0.384857  1.20011  0.396401  
1 1 1 47 36 11 o 1.86973  0.22333   3.64582      0.835133 2.9326       1.15987  4.41364      1.20345  1.59431  0.370485  2.02568  0.297048  
1 1 1 47 36 12 o 0.884345 0.336238  0.68813      0.822933 -0.56799     1.17983  1.87823      1.14841  0.752512 0.3447    1.27157  0.403124  
1 1 1 47 36 13 o 1.11606  0.34229   1.40955      0.83656  0.858739     1.20089  1.92885      1.16603  1.007    0.399974  1.28056  0.406228  
1 1 1 47 36 14 o 0.735901 0.317979  0.0760275    0.856738 1.95973      1.26745  -1.5088      1.16256  1.27702  0.42443   0.631554 0.305023  
1 1 1 47 36 15 f 1.86512  0.232901  3.6964       0.868778 3.79249      1.2176   3.59676      1.23998  1.80354  0.350051  1.74216  0.367346  
1 1 1 47 36 16 o 0.693026 0.304895  -0.0306372   0.816359 -0.3723      1.10629  0.377837     1.20963  0.73897  0.336778  0.891081 0.381245  
1 1 1 47 36 17 o 0.826593 0.325654  0.581423     0.790101 0.270655     1.10855  0.902283     1.12641  0.840833 0.36249   0.975315 0.387378  
1 1 1 47 36 18 o 0.836592 0.327484  0.636118     0.795141 1.32051      1.12782  -0.0402802   1.12121  1.06663  0.396426  0.783767 0.349849  
1 1 1 47 36 19 o 1.94471  0.21512   4.06458      0.836691 3.76321      1.152    4.40105      1.21722  1.76575  0.338271  1.94866  0.312322  
1 1 1 47 36 20 o 1.53164  0.277915  2.72841      0.819972 1.80567      1.12828  3.76128      1.19371  1.16316  0.400276  1.73096  0.357006  
1 1 1 47 36 21 o 2.22069  0.202204  5.32297      0.898065 4.99321      1.21377  5.7219       1.33498  2.06822  0.293432  2.20367  0.3029    
1 1 1 47 36 22 o 1.82414  0.249318  3.80594      0.909581 2.6006       1.23582  5.23072      1.34362  1.32181  0.418096  2.0464   0.328288  
1 1 1 47 36 23 o 1.42893  0.316466  2.64451      0.880421 2.79755      1.25445  2.49594      1.23596  1.33268  0.421206  1.25453  0.419125  
1 1 1 47 36 24 o 0.591032 0.277454  -0.405733    0.840256 -0.619951    1.2002   -0.199805    1.17675  0.669265 0.319957  0.710187 0.332478  
1 1 1 47 36 25 o 0.59321  0.283328  -0.462475    0.935465 -1.02055     1.42435  -0.0391614   1.24051  0.654434 0.320782  0.708717 0.333881  
1 1 1 47 36 26 o 0.678495 0.309409  0.239277     0.936932 -0.0635987   1.28836  0.579264     1.36501  0.697341 0.332929  0.775373 0.361235  
1 1 1 47 36 27 o 0.864915 0.361699  1.38029      1.04777  0.818522     1.37768  2.15101      1.61369  0.769153 0.360023  0.91908  0.4146    
1 1 1 47 37 0  o 2.95821  0.148908  8.88889      0.875908 8.88889      0.875908 8.88889      0.875908 2.96993  0.104566  ?        ?         
1 1 1 47 37 1  o 2.38067  0.121374  5.72991      0.577902 6.78484      0.822608 4.70189      0.812049 2.5805   0.159389  2.13992  0.189739  
1 1 1 47 37 2  o 2.21437  0.158721  4.9958       0.702936 4.56893      1.06817  5.32187      0.933572 2.08716  0.255892  2.27143  0.205503  
1 1 1 47 37 3  o 3.60355  0.111131  13.1058      0.800929 11.8194      1.25075  14           1.04277  3.39509  0.1842    3.71437  0.14037   
1 1 1 47 37 4  o 3.09465  0.119205  9.67933      0.737794 9.74545      1.18687  9.6377       0.94189  3.07903  0.192735  3.07746  0.15303   
1 1 1 47 37 5  o 1.47723  0.278833  2.37367      0.793706 3.25671      1.18229  1.64918      1.0709   1.6971   0.35933   1.21336  0.389752  
1 1 1 47 37 6  o 0.740148 0.311935  0.160444     0.78926  1.58156      1.17278  -1.01598     1.06706  1.19933  0.408273  0.657312 0.309662  
1 1 1 47 37 7  o 1.22274  0.334522  1.67847      0.841475 1.61773      1.28777  1.72373      1.11162  1.21721  0.426784  1.23617  0.397093  
1 1 1 47 37 8  o 3.50583  0.131469  12.4593      0.921812 12.1409      1.29936  12.7819      1.30796  3.436    0.189081  3.52742  0.185399  
1 1 1 47 37 9  o 4.79687  0.116906  23.2769      1.12157  24.0023      1.62199  22.6123      1.55256  4.84205  0.16749   4.70129  0.16512   
1 1 1 47 37 10 o 0.633194 0.288655  -0.409081    0.813996 -0.387732    1.14966  -0.430543    1.15267  0.767399 0.347858  0.762342 0.346446  
1 1 1 47 37 11 o 1.89046  0.217392  3.72519      0.821945 2.65237      1.1858   4.71734      1.14034  1.50083  0.391129  2.10363  0.271042  
1 1 1 47 37 12 o 1.22748  0.334071  1.73174      0.841907 1.67648      1.19464  1.78628      1.18667  1.20499  0.41206   1.23506  0.410683  
1 1 1 47 37 13 o 1.26398  0.322224  1.8415       0.817183 2.04876      1.16359  1.63978      1.14792  1.30085  0.40465   1.18356  0.403921  
1 1 1 47 37 14 o 2.16959  0.198972  4.92657      0.863378 5.25481      1.24048  4.61818      1.20241  2.1914   0.283035  2.04767  0.293604  
1 1 1 47 37 15 o 2.46581  0.177432  6.31751      0.875029 6.37137      1.20754  6.25795      1.26976  2.43306  0.248153  2.39972  0.264564  
1 1 1 47 37 16 o 1.42974  0.299301  2.34765      0.828244 2.25505      1.1192   2.45976      1.23146  1.34533  0.392092  1.39176  0.413003  
1 1 1 47 37 17 o 2.01082  0.203344  4.28663      0.817774 4.35293      1.13913  4.21612      1.1747   1.97036  0.289067  1.92761  0.304704  
1 1 1 47 37 18 o 0.690133 0.300763  0.0844697    0.77905  -0.258899    1.09299  0.439059     1.11071  0.733571 0.334433  0.854241 0.365398  
1 1 1 47 37 19 o 1.56892  0.281582  2.86958      0.851494 3.91552      1.15017  1.60114      1.26662  1.79055  0.333613  1.1063   0.418163  
1 1 1 47 37 20 o 0.982432 0.347206  1.1851       0.853804 1.00282      1.18071  1.38488      1.23612  0.958978 0.390518  1.04622  0.408568  
1 1 1 47 37 21 o 0.729421 0.317782  0.250733     0.869117 -0.322235    1.20297  0.87638      1.25705  0.727445 0.338987  0.918516 0.390673  
1 1 1 47 37 22 o 0.910904 0.342331  1.07176      0.845653 1.54459      1.17292  0.559911     1.22036  1.02687  0.398606  0.837869 0.370277  
1 1 1 47 37 23 o 0.644649 0.295674  -0.123499    0.871222 -0.929005    1.23255  0.680827     1.23164  0.648707 0.313438  0.847052 0.373462  
1 1 1 47 37 24 o 0.884935 0.345019  1.15887      0.880745 2.7332       1.29545  -0.194326    1.20103  1.20992  0.427672  0.689702 0.326127  
1 1 1 47 37 25 o 0.827199 0.345521  1.02945      0.954412 1.46739      1.3897   0.638492     1.31305  0.893137 0.394861  0.778404 0.359416  
1 1 1 47 37 26 o 0.653878 0.303216  0.103196     0.947548 -0.00762136  1.28012  0.237496     1.40923  0.693684 0.331346  0.732862 0.349485  
1 1 1 47 38 0  o 0.679008 0.380348  0.685517     0.766221 0.685517     0.766221 0.685517     0.766221 0.666889 0.334475  ?        ?         
1 1 1 47 38 1  o 2.77845  0.102765  7.78197      0.571052 7.69762      0.810592 7.86509      0.80462  2.75175  0.147287  2.78234  0.144594  
1 1 1 47 38 2  o 3.26247  0.115315  10.7519      0.752421 9.4345       1.18466  11.6427      0.974133 3.02753  0.195648  3.38542  0.143872  
1 1 1 47 38 3  o 4.69224  0.103055  22.1963      0.967119 20.6879      1.64587  22.9919      1.19523  4.49088  0.183245  4.76631  0.125383  
1 1 1 47 38 4  o 1.77353  0.242998  3.2884       0.861932 3.98755      1.28218  2.71195      1.16425  1.88518  0.353125  1.53504  0.380619  
1 1 1 47 38 5  o 2.41591  0.17792   5.98232      0.859675 6.18208      1.28308  5.8196       1.15804  2.4202   0.265078  2.35693  0.245667  
1 1 1 47 38 6  o 0.814749 0.322595  0.475969     0.778921 -0.726943    1.12314  1.59069      1.08118  0.71329  0.330517  1.19075  0.392004  
1 1 1 47 38 7  f 0.809203 0.324561  0.438794     0.799382 -0.533036    1.14291  1.36952      1.11848  0.745085 0.340448  1.12641  0.397465  
1 1 1 47 38 8  o 1.21118  0.333033  1.66426      0.831429 0.66131      1.17835  2.65862      1.1733   0.963527 0.390899  1.50647  0.387327  
1 1 1 47 38 9  o 2.471    0.175566  6.27272      0.867648 6.59865      1.21994  5.93909      1.23426  2.50352  0.243645  2.36648  0.260781  
1 1 1 47 38 10 o 0.914102 0.337503  0.807926     0.814777 0.158334     1.16958  1.42044      1.13571  0.857939 0.371128  1.13365  0.400464  
1 1 1 47 38 11 o 1.38355  0.306275  2.16962      0.824982 2.27101      1.18855  2.07535      1.14601  1.37029  0.405564  1.31422  0.400137  
1 1 1 47 38 12 o 1.09976  0.340704  1.39662      0.826016 0.672497     1.14183  2.19163      1.19641  0.939244 0.383514  1.33562  0.409283  
1 1 1 47 38 13 o 3.71199  0.140498  14.1081      1.04305  16.2901      1.41076  11.477       1.54912  3.96117  0.178074  3.2794   0.236189  
1 1 1 47 38 14 o 3.28939  0.144658  11.1035      0.951672 8.96342      1.32081  13.4142      1.37241  2.90108  0.22764   3.58099  0.191625  
1 1 1 47 38 15 o 2.24671  0.187181  5.28366      0.841081 5.8446       1.16918  4.68201      1.21085  2.3209   0.25188   2.04714  0.295743  
1 1 1 47 38 16 o 1.97117  0.208853  4.13616      0.82337  3.24596      1.13928  5.1095       1.1913   1.63154  0.358859  2.14178  0.278109  
1 1 1 47 38 17 o 0.696224 0.302975  0.100296     0.788273 1.00632      1.07872  -0.937916    1.15473  0.968472 0.380842  0.666855 0.317424  
1 1 1 47 38 18 o 0.823483 0.330097  0.625446     0.826198 0.436342     1.12507  0.846789     1.2172   0.84529  0.364805  0.939518 0.391174  
1 1 1 47 38 19 o 2.23307  0.203058  5.38295      0.906886 4.04979      1.25589  6.83555      1.31094  1.78128  0.365094  2.45123  0.267405  
1 1 1 47 38 20 o 1.01929  0.344112  1.35034      0.83314  0.403608     1.17874  2.29545      1.17773  0.827493 0.365029  1.2571   0.409134  
1 1 1 47 38 21 o 0.817335 0.326568  0.739668     0.804891 1.42435      1.10905  -0.0222772   1.16996  1.00388  0.388031  0.744808 0.342042  
1 1 1 47 38 22 o 0.917897 0.345397  1.12491      0.861408 1.7242       1.24823  0.579994     1.19026  1.05011  0.410467  0.827857 0.365789  
1 1 1 47 38 23 o 0.76064  0.325294  0.593124     0.879958 -1.51848     1.20296  3.02345      1.29055  0.579291 0.285784  1.31377  0.428281  
1 1 1 47 38 24 o 0.594661 0.281484  -0.31311     0.896836 0.415541     1.28243  -1.01054     1.25466  0.754817 0.35107   0.612207 0.300399  
1 1 1 47 38 25 o 0.986549 0.367233  1.67373      0.968575 1.49693      1.38695  1.84204      1.35322  0.899099 0.396372  0.957936 0.406312  
1 1 1 47 38 26 o 0.515319 0.254382  -0.958136    0.956879 -0.476921    1.32272  -1.48646     1.38596  0.617749 0.304274  0.564746 0.282951  
1 1 1 47 39 0  o 0.427631 0.294167  -0.402975    0.77966  -0.402975    0.77966  -0.402975    0.77966  0.34252  0.238217  ?        ?         
1 1 1 47 39 1  o 1.80505  0.155037  3.32355      0.559701 2.68886      0.77725  4.00715      0.806641 1.60097  0.242743  1.96767  0.204974  
1 1 1 47 39 2  o 2.73713  0.139043  7.61421      0.761155 6.7145       1.17081  8.27283      1.00173  2.53491  0.230937  2.83928  0.176406  
1 1 1 47 39 3  o 0.749463 0.304413  0.321713     0.715584 -0.642651    1.23011  0.814983     0.87976  0.760842 0.349958  0.93523  0.349621  
1 1 1 47 39 4  o 1.28475  0.324152  1.86746      0.833413 2.6787       1.14213  0.943567     1.21885  1.51736  0.377446  1.03459  0.405361  
1 1 1 47 39 5  o 1.16018  0.324961  1.51831      0.783811 1.11081      1.08477  1.96349      1.13381  1.05218  0.389238  1.29754  0.398599  
1 1 1 47 39 6  o 2.97168  0.145108  8.99501      0.862428 7.62619      1.22091  10.3582      1.21841  2.70123  0.225991  3.16702  0.192359  
1 1 1 47 39 7  o 1.42468  0.301242  2.26589      0.831891 1.26203      1.11809  3.51072      1.24507  1.09406  0.396248  1.74344  0.368455  
1 1 1 47 39 8  f 3.20115  0.145746  10.4594      0.933106 11.5498      1.27671  9.20898      1.36714  3.33982  0.191135  2.95898  0.231016  
1 1 1 47 39 9  o 2.89096  0.152619  8.56081      0.882429 9.01818      1.23415  8.08242      1.26221  2.93639  0.210148  2.76919  0.227902  
1 1 1 47 39 10 o 1.6586   0.251066  2.94436      0.832835 2.5634       1.18739  3.31325      1.16845  1.45002  0.397673  1.67946  0.358421  
1 1 1 47 39 11 o 1.53158  0.284189  2.62911      0.837886 3.26566      1.22157  2.06356      1.15144  1.64826  0.378356  1.29726  0.40233   
1 1 1 47 39 12 o 2.6512   0.166637  7.26933      0.883577 7.80902      1.2365   6.70622      1.26305  2.70909  0.228214  2.49318  0.253301  
1 1 1 47 39 13 o 1.30942  0.318847  2.00339      0.828386 2.05376      1.17255  1.95319      1.17048  1.28246  0.407417  1.25377  0.407871  
1 1 1 47 39 14 o 1.10173  0.337849  1.44086      0.815032 1.85914      1.17969  1.05887      1.12735  1.21773  0.409472  1.00651  0.39077   
1 1 1 47 39 15 o 0.654247 0.292951  -0.134227    0.791653 -0.104433    1.09232  -0.167191    1.14896  0.761774 0.342512  0.769055 0.348224  
1 1 1 47 39 16 o 0.953294 0.339047  1.04989      0.815303 2.08266      1.10875  -0.165984    1.20304  1.25994  0.395618  0.776296 0.353093  
1 1 1 47 39 17 o 0.98776  0.346969  1.18598      0.851473 0.937528     1.1548   1.48199      1.26046  0.948888 0.386275  1.07702  0.414215  
1 1 1 47 39 18 o 0.816936 0.329602  0.614104     0.831312 0.771017     1.15014  0.44245      1.20295  0.907794 0.37925   0.856369 0.373468  
1 1 1 47 39 19 o 1.19784  0.332689  1.85529      0.82495  0.488088     1.16043  3.2522       1.17298  0.8387   0.366276  1.54629  0.381209  
1 1 1 47 39 20 o 1.27572  0.324864  2.13247      0.831301 1.65838      1.17166  2.61307      1.17966  1.0596   0.401691  1.31711  0.406978  
1 1 1 47 39 21 o 0.914036 0.342709  1.10818      0.84655  2.02406      1.19418  0.182965     1.20025  1.13099  0.40952   0.770431 0.351028  
1 1 1 47 39 22 o 0.714102 0.313017  0.356176     0.853991 -0.0200401   1.21947  0.718237     1.19631  0.729046 0.340341  0.829807 0.366675  
1 1 1 47 39 23 o 1.27427  0.352658  2.4959       0.928625 1.55486      1.23932  3.70065      1.40227  0.932953 0.391926  1.37701  0.446363  
1 1 1 47 39 24 o 0.663391 0.304309  0.142381     0.923181 1.27122      1.29572  -1.02147     1.31566  0.871931 0.383858  0.622326 0.306086  
1 1 1 47 39 25 o 0.776001 0.34136   0.996037     1.02307  0.227801     1.44244  1.77372      1.45128  0.698934 0.337943  0.862606 0.390934  
1 1 1 47 40 0  o 3.2559   0.147518  10.767       0.95612  10.767       0.95612  10.767       0.95612  3.26866  0.103654  ?        ?         
1 1 1 47 40 1  o 1.1164   0.255795  1.36561      0.55918  0.90419      0.757251 1.91893      0.829245 0.937954 0.327424  1.3031   0.320074  
1 1 1 47 40 2  o 4.18675  0.104341  17.6981      0.873702 16.1728      1.25401  19.137       1.21798  3.97782  0.157625  4.33671  0.140427  
1 1 1 47 40 3  o 2.06073  0.187509  4.38184      0.772807 4.79301      1.0961   3.97542      1.08976  2.12613  0.257768  1.92509  0.283041  
1 1 1 47 40 4  o 2.53628  0.167437  6.60118      0.849331 6.71057      1.17123  6.47985      1.23346  2.52791  0.231659  2.47481  0.249202  
1 1 1 47 40 5  o 2.01036  0.208477  4.21249      0.838229 4.79897      1.16276  3.57794      1.20949  2.11454  0.274944  1.76384  0.355328  
1 1 1 47 40 6  o 1.65428  0.255243  2.91884      0.844487 2.39741      1.1574   3.51249      1.23494  1.4143   0.394473  1.73455  0.367233  
1 1 1 47 40 7  o 2.62716  0.168384  7.11103      0.884742 5.47147      1.20048  9.06037      1.30898  2.25545  0.266128  2.93314  0.223137  
1 1 1 47 40 8  o 0.813267 0.32965   0.455135     0.836996 0.0131317    1.16814  0.921478     1.19988  0.82302  0.363177  1.00532  0.399649  
1 1 1 47 40 9  o 1.93456  0.218547  3.95277      0.845588 5.29214      1.18367  2.55687      1.20839  2.20918  0.267899  1.43904  0.403622  
1 1 1 47 40 10 o 2.07606  0.206371  4.53481      0.856878 3.98035      1.20618  5.09973      1.21752  1.85126  0.338347  2.15584  0.282376  
1 1 1 47 40 11 o 2.1577   0.207659  4.90762      0.896134 5.15139      1.30086  4.68746      1.23625  2.14921  0.302637  2.05104  0.301373  
1 1 1 47 40 12 o 1.75222  0.24532   3.31445      0.85971  3.64795      1.19495  2.95658      1.23781  1.75016  0.353757  1.53614  0.399284  
1 1 1 47 40 13 o 1.61099  0.264536  2.85447      0.852329 3.47237      1.17878  2.17747      1.23386  1.69283  0.35907   1.29822  0.418491  
1 1 1 47 40 14 o 0.739527 0.31766   0.202499     0.845631 -0.264322    1.20494  0.655578     1.18707  0.769232 0.350813  0.91627  0.384184  
1 1 1 47 40 15 o 0.667996 0.299467  -0.103529    0.829467 0.24992      1.13735  -0.505107    1.21232  0.82164  0.360687  0.731775 0.340733  
1 1 1 47 40 16 o 0.475563 0.234762  -1.53866     0.81508  -1.03205     1.13332  -2.08144     1.1731   0.643261 0.308337  0.566138 0.279995  
1 1 1 47 40 17 o 0.91624  0.339284  0.974223     0.824608 1.27807      1.15162  0.654521     1.18129  1.01703  0.394933  0.889223 0.378481  
1 1 1 47 40 18 o 1.12649  0.335964  1.65291      0.813508 1.76434      1.12174  1.52928      1.18153  1.1166   0.397635  1.05282  0.402132  
1 1 1 47 40 19 o 1.08269  0.342425  1.59188      0.828976 0.902901     1.21171  2.19808      1.13659  0.899276 0.383059  1.20843  0.401923  
1 1 1 47 40 20 o 1.09081  0.343694  1.65502      0.83585  2.95035      1.16943  0.302154     1.19513  1.40165  0.398336  0.786502 0.355689  
1 1 1 47 40 21 o 0.639343 0.291841  -0.0507795   0.837506 -0.504987    1.16594  0.433399     1.20379  0.666027 0.317678  0.79119  0.357436  
1 1 1 47 40 22 o 0.604589 0.283891  -0.233237    0.881751 0.0385434    1.21138  -0.539497    1.28593  0.707762 0.332412  0.662184 0.319985  
1 1 1 47 40 23 o 0.803045 0.336728  0.91305      0.911998 0.627475     1.33076  1.16596      1.25233  0.780209 0.360853  0.852652 0.376173  
1 1 1 47 40 24 o 0.522605 0.256896  -0.930941    0.924603 -1.62041     1.25716  -0.118565    1.36462  0.552577 0.275902  0.67845  0.328153  
1 1 1 47 41 0  o 1.36621  0.37417   2.33996      0.882592 2.33996      0.882592 2.33996      0.882592 1.46129  0.230801  ?        ?         
1 1 1 47 41 1  o 1.19866  0.252815  1.58169      0.587177 1.94728      0.750913 1.00639      0.941985 1.31613  0.29292   0.991016 0.363234  
1 1 1 47 41 2  o 3.50814  0.112914  12.4715      0.792238 12.1115      1.21928  12.7345      1.04223  3.42394  0.178052  3.52859  0.147683  
1 1 1 47 41 3  o 0.929778 0.336857  0.879113     0.808104 0.414897     1.24705  1.21516      1.06102  0.918131 0.38977   1.06262  0.385889  
1 1 1 47 41 4  o 2.77466  0.172189  7.9481       0.955531 9.59816      1.28822  5.92982      1.42472  3.02393  0.213003  2.3183   0.307278  
1 1 1 47 41 5  o 2.4252   0.186816  6.11306      0.906135 6.81602      1.21861  5.24371      1.35518  2.52887  0.24094   2.1733   0.311779  
1 1 1 47 41 6  o 0.814852 0.32835   0.481077     0.823556 0.183875     1.13464  0.811978     1.19724  0.840676 0.364627  0.978612 0.395252  
1 1 1 47 41 7  o 1.45486  0.30846   2.42585      0.870227 0.654047     1.20025  4.3895       1.26356  0.944394 0.390521  1.97804  0.319397  
1 1 1 47 41 8  f 0.957775 0.347235  0.973579     0.858787 2.06375      1.16629  -0.317558    1.26925  1.29145  0.405801  0.79777  0.362812  
1 1 1 47 41 9  o 1.08612  0.351203  1.37798      0.86849  0.106645     1.1938   2.80737      1.26583  0.838633 0.368829  1.4948   0.410882  
1 1 1 47 41 10 o 1.67842  0.26687   3.07931      0.89584  3.49291      1.25779  2.6535       1.27623  1.6908   0.381068  1.44191  0.418199  
1 1 1 47 41 11 o 0.939055 0.349994  0.929789     0.880326 1.96146      1.31226  0.0855695    1.18707  1.23923  0.431173  0.825666 0.364998  
1 1 1 47 41 12 o 1.25558  0.340317  1.91627      0.875899 3.19252      1.24279  0.656667     1.23466  1.58597  0.39325   0.929943 0.39095   
1 1 1 47 41 13 o 1.0603   0.348676  1.36632      0.855385 0.166872     1.19913  2.60899      1.22055  0.828331 0.366425  1.4036   0.409584  
1 1 1 47 41 14 o 2.00346  0.214398  4.34276      0.859077 3.61244      1.28688  4.92986      1.15382  1.66127  0.39298   2.08195  0.2771    
1 1 1 47 41 15 o 1.81948  0.223747  3.62165      0.814206 2.76234      1.14607  4.49734      1.15693  1.44207  0.388569  1.96805  0.293929  
1 1 1 47 41 16 o 0.690696 0.301096  0.135577     0.78124  0.66484      1.10032  -0.402464    1.10941  0.876403 0.368784  0.704641 0.327269  
1 1 1 47 41 17 o 2.42119  0.176049  6.27622      0.852497 6.73688      1.23935  5.86252      1.17449  2.42121  0.255936  2.25323  0.260622  
1 1 1 47 41 18 o 0.876106 0.335876  0.946661     0.826763 0.129985     1.14028  1.85183      1.20048  0.75987  0.345124  1.10332  0.409208  
1 1 1 47 41 19 o 0.751087 0.315767  0.50478      0.805488 1.04675      1.12984  -0.0553911   1.14865  0.908224 0.37743   0.727744 0.336078  
1 1 1 47 41 20 o 0.741172 0.317051  0.482021     0.836313 0.826362     1.1404   0.0813584    1.23014  0.849597 0.366981  0.749346 0.346718  
1 1 1 47 41 21 o 0.583655 0.275099  -0.319132    0.844176 -0.999004    1.16449  0.433905     1.22554  0.598114 0.292412  0.760757 0.349662  
1 1 1 47 41 22 o 0.771221 0.325235  0.784765     0.858888 0.856683     1.21122  0.712027     1.21811  0.801614 0.360534  0.78143  0.355393  
1 1 1 47 41 23 o 0.851045 0.344848  1.18888      0.915519 0.522006     1.24909  1.96301      1.34579  0.743492 0.346063  0.954092 0.404964  
1 1 1 47 42 0  o 0.479692 0.321507  -0.154077    0.831843 -0.154077    0.831843 -0.154077    0.831843 0.39865  0.268151  ?        ?         
1 1 1 47 42 1  o 2.31685  0.135225  5.48306      0.626593 5.7711       0.833824 5.10938      0.949716 2.35947  0.176698  2.20107  0.21574   
1 1 1 47 42 2  o 2.38857  0.151293  5.85981      0.722748 4.77025      1.15824  6.55461      0.924914 2.0914   0.276905  2.51036  0.184219  
1 1 1 47 42 3  o 2.51646  0.180659  6.58034      0.909239 7.29312      1.33355  5.96113      1.24294  2.60038  0.256414  2.34514  0.265003  
1 1 1 47 42 4  o 1.71738  0.249571  3.17316      0.857219 3.07433      1.22791  3.26711      1.19726  1.58622  0.389406  1.65021  0.371691  
1 1 1 47 42 5  o 2.0432   0.201063  4.38237      0.821623 5.38239      1.20474  3.51279      1.12342  2.2219   0.271105  1.73871  0.335017  
1 1 1 47 42 6  o 0.760121 0.31753   0.296336     0.806147 -0.729413    1.17429  1.21063      1.10866  0.712773 0.333223  1.05235  0.392661  
1 1 1 47 42 7  o 0.692047 0.307004  -0.0924147   0.849788 -0.638331    1.19403  0.467902     1.20968  0.729658 0.339132  0.904148 0.383862  
1 1 1 47 42 8  o 0.726244 0.313794  0.115927     0.834277 -0.138922    1.19852  0.355489     1.16202  0.79691  0.358516  0.869051 0.372803  
1 1 1 47 42 9  o 0.732225 0.316144  0.137565     0.845632 -0.804722    1.25524  0.920603     1.14426  0.723786 0.339655  0.976397 0.389609  
1 1 1 47 42 10 o 1.12741  0.339156  1.53306      0.826635 3.02178      1.21895  0.265427     1.1248   1.54332  0.393604  0.83476  0.362566  
1 1 1 47 42 11 o 1.35381  0.323988  2.20281      0.866828 3.20074      1.32624  1.45857      1.14532  1.55649  0.417367  1.09152  0.40048   
1 1 1 47 42 12 o 1.13256  0.34169   1.58921      0.838222 2.11577      1.22548  1.12628      1.14905  1.2516   0.417345  0.999272 0.393028  
1 1 1 47 42 13 o 1.3308   0.321411  2.17184      0.847076 1.21092      1.24766  2.99354      1.15374  1.01732  0.40654   1.51433  0.380984  
1 1 1 47 42 14 o 1.22219  0.332097  1.87307      0.832811 1.41283      1.19143  2.31279      1.16457  1.054    0.403456  1.29799  0.405034  
1 1 1 47 42 15 o 1.72805  0.240177  3.33731      0.830075 3.34116      1.20571  3.33384      1.14449  1.58035  0.384576  1.60051  0.365428  
1 1 1 47 42 16 f 1.53773  0.275113  2.82659      0.815534 3.34359      1.18301  2.35839      1.12579  1.55843  0.381997  1.27758  0.398147  
1 1 1 47 42 17 o 0.718799 0.307901  0.354564     0.790629 -0.21175     1.12535  0.906545     1.11102  0.707906 0.329103  0.887292 0.371837  
1 1 1 47 42 18 o 1.81268  0.231668  3.77406      0.839881 3.47401      1.14441  4.12432      1.23647  1.57266  0.369672  1.71946  0.370147  
1 1 1 47 42 19 o 0.619178 0.287865  -0.225811    0.861103 -0.548619    1.11189  0.257948     1.36114  0.648544 0.309551  0.79117  0.36555   
1 1 1 47 42 20 o 0.595926 0.279297  -0.219444    0.838953 0.867249     1.17184  -1.36209     1.20163  0.820338 0.362645  0.579575 0.285853  
1 1 1 47 42 21 o 0.546488 0.26316   -0.575624    0.849572 -0.608071    1.189    -0.541779    1.21436  0.626897 0.303831  0.637786 0.308671  
1 1 1 47 42 22 o 0.644657 0.296569  0.130474     0.883829 -0.15622     1.29652  0.379364     1.20802  0.68031  0.326987  0.72604  0.338861  
1 1 1 47 43 0  o 0.359288 0.259384  -1.14951     0.840061 -1.14951     0.840061 -1.14951     0.840061 0.273062 0.200281  ?        ?         
1 1 1 47 43 1  o 1.89188  0.16394   3.69995      0.62031  4.1316       0.863967 3.2407       0.891167 1.97403  0.218833  1.72942  0.25765   
1 1 1 47 43 2  o 0.649065 0.282296  0.0178117    0.683631 0.388793     1.16335  -0.17787     0.844906 0.879335 0.374974  0.674493 0.302314  
1 1 1 47 43 3  o 4.30865  0.116749  18.8872      1.00606  19.1968      1.47609  18.6186      1.37487  4.30111  0.171594  4.24426  0.161968  
1 1 1 47 43 4  o 1.67349  0.255529  3.03766      0.855248 1.78155      1.18567  4.40009      1.23483  1.20324  0.41051   1.97583  0.312485  
1 1 1 47 43 5  o 2.28038  0.182392  5.4293       0.831849 6.44696      1.16586  4.37395      1.18726  2.44844  0.238082  1.97613  0.300399  
1 1 1 47 43 6  o 0.886977 0.330121  0.802121     0.782645 -0.843125    1.12113  2.36599      1.09305  0.67626  0.318245  1.37877  0.382956  
1 1 1 47 43 7  o 0.734225 0.310225  0.24645      0.783903 1.13469      1.13048  -0.576208    1.08795  1.02091  0.392358  0.696286 0.323658  
1 1 1 47 43 8  o 0.791399 0.321952  0.47058      0.801688 -0.0522715   1.13935  0.983286     1.12825  0.784278 0.351302  0.980274 0.388214  
1 1 1 47 43 9  o 2.08765  0.201654  4.63765      0.841966 4.12143      1.19886  5.14007      1.18274  1.85588  0.335271  2.14158  0.276137  
1 1 1 47 43 10 o 2.24919  0.187368  5.35707      0.842852 4.35762      1.20191  6.32416      1.18228  1.93565  0.310466  2.39438  0.246887  
1 1 1 47 43 11 o 1.49915  0.303209  2.6782       0.877328 3.04699      1.39338  2.43596      1.12929  1.46574  0.440208  1.35075  0.393914  
1 1 1 47 43 12 o 1.35561  0.323065  2.26309      0.864699 0.768617     1.2871   3.49248      1.16738  0.931937 0.395817  1.65766  0.362109  
1 1 1 47 43 13 o 0.797179 0.324324  0.55335      0.813598 1.88985      1.18332  -0.6449      1.12045  1.17136  0.409262  0.678156 0.318848  
1 1 1 47 43 14 o 0.731099 0.318939  0.226653     0.877902 0.859489     1.35019  -0.236836    1.1555   0.933772 0.401255  0.730978 0.337383  
1 1 1 47 43 15 o 2.91786  0.156216  9.01744      0.911632 8.54401      1.30249  9.47207      1.27639  2.74204  0.237504  2.91333  0.21906   
1 1 1 47 43 16 o 0.598582 0.27668   -0.253604    0.780799 -1.46785     1.0924   1.01465      1.11643  0.567276 0.278977  0.906342 0.375824  
1 1 1 47 43 17 o 0.943333 0.338061  1.20477      0.811939 1.12269      1.10729  1.30023      1.19413  0.920994 0.377132  0.959976 0.392126  
1 1 1 47 43 18 o 0.649659 0.293305  0.0685579    0.809261 -0.0958771   1.13517  0.238495     1.154    0.704087 0.328564  0.752683 0.343279  
1 1 1 47 43 19 o 0.950666 0.351632  1.42779      0.885218 1.71586      1.18925  1.06989      1.3256   0.978164 0.394401  0.856052 0.381305  
1 1 1 47 43 20 o 0.507332 0.248222  -0.930521    0.843425 -1.18088     1.18283  -0.671555    1.20299  0.579167 0.285233  0.624492 0.303587  
1 1 1 47 43 21 f 0.588608 0.276722  -0.195693    0.843586 0.440385     1.19121  -0.835643    1.19483  0.733952 0.340203  0.604016 0.295507  
1 1 1 47 43 22 o 0.718637 0.31818   0.761801     0.906835 1.34002      1.30357  0.21958      1.26234  0.794366 0.363225  0.668239 0.321542  
1 1 1 47 44 0  o 0.531778 0.345189  0.121613     0.84863  0.121613     0.84863  0.121613     0.84863  0.462203 0.296579  ?        ?         
1 1 1 47 44 1  o 1.89267  0.164546  3.71745      0.622863 3.63586      0.872887 3.80209      0.889058 1.83572  0.23775   1.8778   0.236728  
1 1 1 47 44 2  o 0.870226 0.330578  0.746798     0.79488  1.12082      1.16421  0.420191     1.08792  1.02301  0.397121  0.858006 0.364139  
1 1 1 47 44 3  o 0.778837 0.321233  0.399555     0.809151 0.772756     1.17543  0.0634091    1.11555  0.946563 0.388243  0.799919 0.353696  
1 1 1 47 44 4  o 0.82219  0.338924  0.484185     0.900231 2.35338      1.30333  -1.22124     1.24492  1.33559  0.430068  0.673891 0.323053  
1 1 1 47 44 5  o 2.93885  0.154026  8.94666      0.905321 9.35036      1.29462  8.56031      1.26648  2.95276  0.219222  2.82063  0.224503  
1 1 1 47 44 6  o 2.51113  0.172104  6.59705      0.864353 7.19552      1.27796  6.09244      1.17348  2.56071  0.249532  2.35675  0.248961  
1 1 1 47 44 7  o 2.07275  0.203102  4.58324      0.841962 4.11677      1.21527  5.01382      1.16759  1.84461  0.342242  2.1111   0.276535  
1 1 1 47 44 8  o 1.63164  0.257462  2.96462      0.840172 3.2389       1.2209   2.71788      1.15797  1.57988  0.388566  1.43967  0.391778  
1 1 1 47 44 9  o 0.976    0.342478  1.14662      0.829389 2.50318      1.21788  -0.0266331   1.13262  1.35123  0.412711  0.770287 0.34742   
1 1 1 47 44 10 o 0.938755 0.338614  1.03744      0.815767 1.38867      1.2099   0.744675     1.10461  1.05198  0.405566  0.900068 0.373563  
1 1 1 47 44 11 o 1.51323  0.28784   2.7052       0.839726 3.02875      1.26391  2.44952      1.12354  1.48249  0.411813  1.34632  0.393004  
1 1 1 47 44 12 o 2.50236  0.177353  6.66502      0.887604 5.62125      1.27605  7.64342      1.23545  2.18772  0.291641  2.61927  0.235839  
1 1 1 47 44 13 o 1.29315  0.326414  2.14748      0.844806 0.743568     1.19033  3.57239      1.19919  0.884238 0.37825   1.62533  0.376073  
1 1 1 47 44 14 o 1.34827  0.331595  2.39051      0.889146 2.90614      1.31277  1.95348      1.20857  1.36141  0.430945  1.13196  0.411772  
1 1 1 47 44 15 o 0.791952 0.320122  0.676576     0.786256 0.0739526    1.09388  1.3207       1.13092  0.735568 0.335135  0.969778 0.387217  
1 1 1 47 44 16 o 0.456751 0.226643  -1.45514     0.785465 -1.97986     1.06877  -0.838864    1.15825  0.518608 0.258296  0.637789 0.307161  
1 1 1 47 44 17 o 1.06145  0.335756  1.62815      0.79698  2.34638      1.11813  0.886394     1.13629  1.19273  0.398645  0.846825 0.366058  
1 1 1 47 44 18 o 0.956289 0.346715  1.43595      0.856229 1.93578      1.17701  0.874125     1.24787  1.02553  0.399051  0.821263 0.367766  
1 1 1 47 44 19 o 0.790773 0.329614  0.869974     0.865741 0.297998     1.20693  1.4762       1.24254  0.725564 0.338665  0.902238 0.38622   
1 1 1 47 44 20 f 1.02563  0.352954  1.75939      0.877275 2.01012      1.22209  1.49282      1.2601   0.996234 0.400585  0.891521 0.385433  
1 1 1 47 44 21 o 0.828246 0.336839  1.2687       0.877273 1.03574      1.27398  1.47879      1.20981  0.756721 0.351167  0.821364 0.365107  
1 1 1 47 45 0  o 0.566126 0.383449  -0.21941     1.23789  -0.21941     1.23789  -0.21941     1.23789  0.475725 0.3223    ?        ?         
1 1 1 47 45 1  o 1.68467  0.22534   3.06732      0.759246 2.58253      1.07465  3.55046      1.07282  1.42971  0.372233  1.72982  0.322112  
1 1 1 47 45 2  o 0.681739 0.299686  0.0268179    0.787396 -0.640904    1.11287  0.696164     1.11422  0.688502 0.322505  0.907124 0.375757  
1 1 1 47 45 3  o 2.91857  0.147653  8.82077      0.861873 8.52578      1.21337  9.12117      1.22445  2.81429  0.215573  2.91625  0.209936  
1 1 1 47 45 4  o 1.52215  0.306539  2.73972      0.900431 2.97527      1.26627  2.49878      1.28066  1.4935   0.411142  1.35303  0.42525   
1 1 1 47 45 5  o 1.07937  0.33841   1.43709      0.811684 0.663922     1.13027  2.26045      1.16637  0.89516  0.375085  1.29775  0.405425  
1 1 1 47 45 6  o 0.507694 0.247426  -1.19453     0.812509 -1.44686     1.13583  -0.930082    1.16277  0.605353 0.294505  0.664266 0.316935  
1 1 1 47 45 7  o 3.48606  0.13726   12.5748      0.956992 12.1603      1.34479  13.0001      1.36216  3.36578  0.199773  3.48519  0.195421  
1 1 1 47 45 8  f 1.15429  0.341809  1.68475      0.844096 2.45672      1.19606  0.918741     1.19142  1.33672  0.409141  0.947495 0.390127  
1 1 1 47 45 9  o 0.976422 0.343467  1.16677      0.834633 1.09339      1.15284  1.2476       1.20992  0.976474 0.39055   1.01494  0.401995  
1 1 1 47 45 10 o 1.26818  0.314735  1.99332      0.79553  2.88795      1.1355   1.13089      1.11488  1.46731  0.382907  0.974104 0.385865  
1 1 1 47 45 11 o 1.70392  0.249149  3.3079       0.849061 2.68901      1.23518  3.8623       1.16905  1.35462  0.416016  1.72812  0.350461  
1 1 1 47 45 12 o 0.621211 0.28533   -0.223017    0.814538 -0.0669824   1.14462  -0.3831      1.15938  0.738907 0.338907  0.701226 0.328592  
1 1 1 47 45 13 o 0.559657 0.26759   -0.690055    0.840162 -2.01897     1.18262  0.664067     1.19379  0.554756 0.275659  0.850051 0.371366  
1 1 1 47 45 14 o 0.839947 0.336027  0.836931     0.853719 0.997936     1.17979  0.659953     1.23692  0.901555 0.380737  0.848163 0.374066  
1 1 1 47 45 15 o 0.642973 0.289625  0.0327683    0.784612 1.27464      1.13451  -1.10574     1.08628  0.946692 0.383768  0.591025 0.287684  
1 1 1 47 45 16 o 0.563724 0.266213  -0.399319    0.797825 0.110977     1.12527  -0.915142    1.13135  0.714937 0.331108  0.60458  0.294064  
1 1 1 47 45 17 o 0.91132  0.337986  1.27775      0.818945 -0.338349    1.15089  2.93533      1.16557  0.652972 0.312443  1.28841  0.405842  
1 1 1 47 45 18 o 0.560267 0.267733  -0.439231    0.838092 -1.04728     1.19633  0.146779     1.17445  0.593492 0.291895  0.704055 0.330061  
1 1 1 47 45 19 o 0.745507 0.319695  0.709423     0.854011 0.317928     1.2193   1.08644      1.19653  0.719145 0.336986  0.824021 0.36508   
1 1 1 47 45 20 o 0.867436 0.342645  1.42217      0.876832 1.03372      1.19794  1.87046      1.28689  0.757681 0.347179  0.873181 0.383487  
1 1 1 47 46 0  f 0.833817 0.478803  1.25667      1.25052  1.25667      1.25052  1.25667      1.25052  0.853953 0.42746   ?        ?         
1 1 1 47 46 1  o 0.837937 0.338746  0.640607     0.880532 0.107021     1.22925  1.20292      1.26191  0.814089 0.364771  1.01699  0.407835  
1 1 1 47 46 2  o 2.42829  0.190854  6.29119      0.926901 6.21598      1.32045  6.36426      1.30143  2.32727  0.28369   2.36376  0.275289  
1 1 1 47 46 3  f 1.82627  0.2211    3.63698      0.807575 4.80657      1.15364  2.51312      1.13087  2.04761  0.281706  1.37099  0.392381  
1 1 1 47 46 4  o 2.5445   0.183685  6.88296      0.934775 6.31723      1.28689  7.51488      1.36008  2.35528  0.273193  2.57972  0.26361   
1 1 1 47 46 5  f 0.812555 0.325175  0.614683     0.799846 -0.520648    1.11929  1.79946      1.1434   0.695255 0.325147  1.15567  0.402441  
1 1 1 47 46 6  o 2.78287  0.158599  8.11869      0.882723 7.51967      1.24269  8.72876      1.25411  2.60375  0.238635  2.824    0.222045  
1 1 1 47 46 7  o 0.947993 0.340147  1.08061      0.822213 0.546104     1.1581   1.62385      1.16753  0.863924 0.371442  1.10129  0.404316  
1 1 1 47 46 8  o 1.86805  0.22964   3.87423      0.857957 3.77557      1.19411  3.9795       1.23352  1.70774  0.360781  1.75121  0.364263  
1 1 1 47 46 9  o 1.31381  0.32772   2.21286      0.859214 1.762        1.22041  2.65597      1.20988  1.10618  0.412129  1.35013  0.41115   
1 1 1 47 46 10 o 0.842326 0.330582  0.805874     0.811329 0.925066     1.13912  0.683156     1.15584  0.904931 0.377701  0.860388 0.370522  
1 1 1 47 46 11 o 0.815276 0.330469  0.718859     0.841175 1.01314      1.19271  0.427633     1.18651  0.915746 0.384582  0.812499 0.361359  
1 1 1 47 46 12 o 1.25953  0.337857  2.15631      0.868871 1.83261      1.14131  2.60254      1.34001  1.09286  0.399894  1.25036  0.435644  
1 1 1 47 46 13 o 0.702008 0.308941  0.251443     0.8387   0.0997482    1.20286  0.394969     1.17002  0.756801 0.347242  0.792919 0.355565  
1 1 1 47 46 14 o 0.744588 0.315178  0.524656     0.811554 -0.172079    1.13375  1.25679      1.1622   0.696021 0.325935  0.930991 0.384588  
1 1 1 47 46 15 o 0.549759 0.261959  -0.457935    0.788256 -0.346022    1.13167  -0.563403    1.09859  0.655803 0.312843  0.625702 0.300802  
1 1 1 47 46 16 o 0.716697 0.308354  0.547428     0.799093 0.679865     1.14035  0.419652     1.1201   0.775736 0.349309  0.735979 0.336598  
1 1 1 47 46 17 o 0.588105 0.275833  -0.202313    0.823754 0.867046     1.17286  -1.24336     1.15723  0.80536  0.358697  0.57075  0.281265  
1 1 1 47 46 18 o 0.591495 0.278796  -0.190983    0.867037 0.7827       1.26254  -1.06004     1.19278  0.775381 0.355761  0.581723 0.286493  
1 1 1 47 46 19 o 0.474969 0.235741  -1.10529     0.852451 -1.00233     1.24206  -1.19698     1.17208  0.569293 0.28283   0.543903 0.270838  
1 1 1 47 47 0  o 2.02163  0.541129  5.73045      1.88649  5.73045      1.88649  5.73045      1.88649  2.23744  0.316073  ?        ?         
1 1 1 47 47 1  o 0.802064 0.472622  1.1478       1.26699  1.1478       1.26699  1.1478       1.26699  0.807932 0.424205  ?        ?         
1 1 1 47 47 2  o 0.509869 0.354508  -0.580893    1.21371  -0.580893    1.21371  -0.580893    1.21371  0.416531 0.291642  ?        ?         
1 1 1 47 47 3  o 0.816292 0.475174  1.21481      1.25609  1.21481      1.25609  1.21481      1.25609  0.831875 0.425894  ?        ?         
1 1 1 47 47 4  o 1.04106  0.520906  2.04229      1.3129   2.04229      1.3129   2.04229      1.3129   1.1663   0.430938  ?        ?         
1 1 1 47 47 5  o 0.839977 0.477241  1.33766      1.22747  1.33766      1.22747  1.33766      1.22747  0.877264 0.425937  ?        ?         
1 1 1 47 47 6  o 0.706193 0.433305  0.813967     1.15131  0.813967     1.15131  0.813967     1.15131  0.686252 0.389113  ?        ?         
1 1 1 47 47 7  f 0.543721 0.369505  -0.131039    1.16273  -0.131039    1.16273  -0.131039    1.16273  0.46408  0.313658  ?        ?         
1 1 1 47 47 8  o 1.1109   0.505296  2.25022      1.20729  2.25022      1.20729  2.25022      1.20729  1.28034  0.383367  ?        ?         
1 1 1 47 47 9  o 0.99162  0.488743  1.88664      1.149    1.88664      1.149    1.88664      1.149    1.12814  0.397502  ?        ?         
1 1 1 47 47 10 f 0.589864 0.391925  0.242498     1.17641  0.242498     1.17641  0.242498     1.17641  0.528873 0.342739  ?        ?         
1 1 1 47 47 11 o 0.556612 0.378034  -0.0307702   1.21448  -0.0307702   1.21448  -0.0307702   1.21448  0.48367  0.324931  ?        ?         
1 1 1 47 47 12 o 0.728022 0.442863  1.01869      1.18079  1.01869      1.18079  1.01869      1.18079  0.735992 0.402831  ?        ?         
1 1 1 47 47 13 o 0.410448 0.29717   -1.30667     1.15556  -1.30667     1.15556  -1.30667     1.15556  0.325104 0.237815  ?        ?         
1 1 1 47 47 14 o 0.441318 0.317529  -0.988119    1.20989  -0.988119    1.20989  -0.988119    1.20989  0.358479 0.259197  ?        ?         
1 1 1 47 47 15 o 1.28995  0.504156  3.06251      1.2376   3.06251      1.2376   3.06251      1.2376   1.54491  0.321278  ?        ?         
1 1 1 47 47 16 o 0.443014 0.319089  -0.990291    1.23357  -0.990291    1.23357  -0.990291    1.23357  0.361135 0.2612    ?        ?         
1 1 1 47 47 17 o 0.625052 0.40874   0.778697     1.21615  0.778697     1.21615  0.778697     1.21615  0.615133 0.375966  ?        ?         
1 1 1 48 0  0  o 35.6943  0.498139  1282.33      35.5458  1282.33      35.5458  1282.33      35.5458  35.7517  0.351594  ?        ?         
1 1 1 48 0  1  o 6.89451  0.104489  47.5794      1.44006  47.5794      1.44006  47.5794      1.44006  6.89615  0.0738484 ?        ?         
1 1 1 48 0  2  o 11.9042  0.131994  141.821      3.14167  141.821      3.14167  141.821      3.14167  11.9065  0.0933022 ?        ?         
1 1 1 48 0  3  o 15.3963  0.162916  237.28       5.01533  237.28       5.01533  237.28       5.01533  15.4001  0.115156  ?        ?         
1 1 1 48 0  4  o 3.77448  0.119154  14.2943      0.897456 14.2943      0.897456 14.2943      0.897456 3.77764  0.0840879 ?        ?         
1 1 1 48 0  5  o 5.59558  0.100914  31.3495      1.12852  31.3495      1.12852  31.3495      1.12852  5.59732  0.0713086 ?        ?         
1 1 1 48 0  6  o 2.08067  0.187421  4.43774      0.765372 4.43774      0.765372 4.43774      0.765372 2.09402  0.130383  ?        ?         
1 1 1 48 0  7  o 4.56164  0.100991  20.8453      0.920353 20.8453      0.920353 20.8453      0.920353 4.56366  0.0713404 ?        ?         
1 1 1 48 0  8  o 4.82084  0.0985858 23.2766      0.949637 23.2766      0.949637 23.2766      0.949637 4.82272  0.0696506 ?        ?         
1 1 1 48 0  9  o 10.0622  0.119124  101.337      2.39654  101.337      2.39654  101.337      2.39654  10.0644  0.0842018 ?        ?         
1 1 1 48 0  10 o 5.86055  0.102304  34.3903      1.19829  34.3903      1.19829  34.3903      1.19829  5.86243  0.0722918 ?        ?         
1 1 1 48 0  11 o 12.2983  0.139026  151.423      3.4186   151.423      3.4186   151.423      3.4186   12.3018  0.0982642 ?        ?         
1 1 1 48 0  12 o 5.25836  0.116667  27.7082      1.22559  27.7082      1.22559  27.7082      1.22559  5.26111  0.0824071 ?        ?         
1 1 1 48 0  13 o 1.1513   0.387091  1.71631      0.794004 1.71631      0.794004 1.71631      0.794004 1.23589  0.25778   ?        ?         
1 1 1 48 0  14 o 9.42613  0.128067  88.9824      2.41335  88.9824      2.41335  88.9824      2.41335  9.42959  0.0905051 ?        ?         
1 1 1 48 0  15 o 4.18228  0.11738   17.5476      0.980083 17.5476      0.980083 17.5476      0.980083 4.18564  0.0828591 ?        ?         
1 1 1 48 0  16 o 4.00019  0.118724  16.0594      0.947943 16.0594      0.947943 16.0594      0.947943 4.00381  0.0837902 ?        ?         
1 1 1 48 0  17 o 5.76259  0.110153  33.2744      1.26849  33.2744      1.26849  33.2744      1.26849  5.76548  0.0778186 ?        ?         
1 1 1 48 0  18 o 0.460905 0.310028  -0.260405    0.786277 -0.260405    0.786277 -0.260405    0.786277 0.373375 0.254395  ?        ?         
1 1 1 48 0  19 o 2.55384  0.186709  6.64754      0.941937 6.64754      0.941937 6.64754      0.941937 2.56629  0.13054   ?        ?         
1 1 1 48 0  21 o 5.3553   0.115532  28.7645      1.23612  28.7645      1.23612  28.7645      1.23612  5.35928  0.0815895 ?        ?         
1 1 1 48 0  22 o 2.03464  0.24135   4.34312      0.9508   4.34312      0.9508   4.34312      0.9508   2.06057  0.165599  ?        ?         
1 1 1 48 0  23 o 5.10047  0.128242  26.1292      1.30632  26.1292      1.30632  26.1292      1.30632  5.10608  0.0905158 ?        ?         
1 1 1 48 0  24 o 1.64627  0.368462  3.13212      1.05764  3.13212      1.05764  3.13212      1.05764  1.7196   0.226199  ?        ?         
1 1 1 48 0  25 o 0.880952 0.468664  1.17933      1.10467  1.17933      1.10467  1.17933      1.10467  0.888924 0.406327  ?        ?         
1 1 1 48 0  26 o 0.510409 0.350283  -0.560309    1.09164  -0.560309    1.09164  -0.560309    1.09164  0.407566 0.283321  ?        ?         
1 1 1 48 0  27 o 0.800468 0.447756  0.94682      1.05987  0.94682      1.05987  0.94682      1.05987  0.785504 0.393475  ?        ?         
1 1 1 48 0  28 o 2.31573  0.266243  5.67063      1.19604  5.67063      1.19604  5.67063      1.19604  2.34989  0.182481  ?        ?         
1 1 1 48 0  29 o 2.91361  0.20846   8.72793      1.20045  8.72793      1.20045  8.72793      1.20045  2.93424  0.145461  ?        ?         
1 1 1 48 0  30 o 0.731545 0.438389  0.68624      1.12094  0.68624      1.12094  0.68624      1.12094  0.683922 0.385349  ?        ?         
1 1 1 48 0  31 o 3.37696  0.192949  11.6743      1.29343  11.6743      1.29343  11.6743      1.29343  3.39705  0.135101  ?        ?         
1 1 1 48 0  32 o 0.632774 0.408996  0.189325     1.17301  0.189325     1.17301  0.189325     1.17301  0.550893 0.351207  ?        ?         
1 1 1 48 0  33 o 0.474376 0.33553   -1.06303     1.19995  -1.06303     1.19995  -1.06303     1.19995  0.371348 0.266895  ?        ?         
1 1 1 48 0  34 o 0.473147 0.334368  -1.0017      1.18463  -1.0017      1.18463  -1.0017      1.18463  0.372174 0.266966  ?        ?         
1 1 1 48 0  35 o 0.565695 0.379615  -0.119907    1.16625  -0.119907    1.16625  -0.119907    1.16625  0.478713 0.320632  ?        ?         
1 1 1 48 0  36 o 1.1794   0.518603  2.37321      1.27103  2.37321      1.27103  2.37321      1.27103  1.33835  0.387413  ?        ?         
1 1 1 48 0  37 f 0.542942 0.375852  -0.389633    1.30589  -0.389633    1.30589  -0.389633    1.30589  0.454668 0.31518   ?        ?         
1 1 1 48 0  38 o 1.20671  0.565813  2.93574      1.51906  2.93574      1.51906  2.93574      1.51906  1.43341  0.430687  ?        ?         
1 1 1 48 0  39 o 0.60685  0.422147  0.0148748    1.73942  0.0148748    1.73942  0.0148748    1.73942  0.543942 0.372893  ?        ?         
1 1 1 48 0  40 o 0.743886 0.513878  1.47964      2.42068  1.47964      2.42068  1.47964      2.42068  0.750496 0.488397  ?        ?         
1 1 1 48 1  0  o 10.8231  0.126043  117.233      2.7275   117.233      2.7275   117.233      2.7275   10.8252  0.0890939 ?        ?         
1 1 1 48 1  1  o 8.27122  0.0786237 68.4346      1.30063  67.9872      1.79778  68.926       1.88398  8.24294  0.10905   8.29945  0.1135    
1 1 1 48 1  2  o 7.86843  0.0720369 61.9289      1.13363  60.7106      1.55822  63.2987      1.65232  7.78969  0.100018  7.95384  0.10387   
1 1 1 48 1  3  o 6.38572  0.0703315 40.7881      0.898234 39.6016      1.29865  41.8763      1.24372  6.29122  0.103211  6.46962  0.0961201 
1 1 1 48 1  4  o 3.33981  0.0919819 11.1594      0.614403 10.3165      0.885986 11.9404      0.852762 3.21028  0.137992  3.45406  0.123443  
1 1 1 48 1  5  o 6.34065  0.0725417 40.2157      0.919923 38.6676      1.28417  41.8475      1.31844  6.21647  0.103288  6.46708  0.101935  
1 1 1 48 1  6  o 4.4585   0.076442  19.8851      0.681634 19.386       0.935053 20.4511      0.995761 4.40149  0.10622   4.52067  0.110134  
1 1 1 48 1  7  o 13.7645  0.105846  189.592      2.91382  189.205      4.11211  189.982      4.12947  13.7456  0.149579  13.7738  0.149903  
1 1 1 48 1  8  o 5.94652  0.0747976 35.374       0.88957  35.5036      1.25665  35.2439      1.25944  5.95629  0.105489  5.93444  0.106113  
1 1 1 48 1  9  o 5.81299  0.0716395 33.8031      0.832879 33.7105      1.20787  33.887       1.14999  5.80383  0.104058  5.81922  0.09881   
1 1 1 48 1  10 o 6.14326  0.0728305 37.7551      0.894834 37.5112      1.25843  38.0045      1.27267  6.12212  0.102777  6.16222  0.103264  
1 1 1 48 1  11 o 7.9287   0.0766968 62.8964      1.21621  62.6551      1.78983  63.1034      1.65772  7.9111   0.113122  7.94     0.104391  
1 1 1 48 1  12 o 3.59042  0.0890801 12.9013      0.63967  12.4747      0.919872 13.3008      0.89012  3.52898  0.130331  3.64433  0.122124  
1 1 1 48 1  13 o 10.4687  0.0921319 109.693      1.92899  109.384      2.81383  109.968      2.64959  10.4485  0.134653  10.4775  0.126442  
1 1 1 48 1  14 o 1.94754  0.153345  3.80333      0.597292 5.07447      0.855002 2.59168      0.834758 2.24789  0.190179  1.6035   0.260292  
1 1 1 48 1  15 o 3.55487  0.0894462 12.6504      0.635938 12.4742      0.894731 12.8303      0.904047 3.52815  0.126799  3.57817  0.126328  
1 1 1 48 1  16 o 3.17311  0.0994061 10.083       0.630853 9.79889      0.886874 10.374       0.897542 3.12574  0.141866  3.21632  0.13953   
1 1 1 48 1  17 o 7.6806   0.0792318 59.0509      1.2171   58.3636      1.6722   59.8251      1.77485  7.63222  0.109549  7.72644  0.114855  
1 1 1 48 1  18 o 2.19689  0.13168   4.84145      0.578574 4.73516      0.814404 4.94976      0.822105 2.16912  0.187727  2.21791  0.185333  
1 1 1 48 1  19 o 5.58176  0.0773001 31.1934      0.862942 31.1167      1.21713  31.2709      1.22366  5.5716   0.109226  5.58535  0.109542  
1 1 1 48 1  20 o 1.97243  0.152853  3.91034      0.602983 3.1027       0.848828 4.73308      0.856721 1.75032  0.242478  2.16639  0.19773   
1 1 1 48 1  21 o 7.66125  0.0843672 58.7992      1.29272  58.5837      1.79883  59.0295      1.85901  7.64081  0.117712  7.66903  0.121202  
1 1 1 48 1  22 o 2.63098  0.132745  6.95686      0.698498 8.61026      0.996628 5.36062      0.979252 2.92231  0.170521  2.30058  0.212827  
1 1 1 48 1  23 o 2.36677  0.152635  5.6428       0.722505 4.91011      1.01498  6.39546      1.02871  2.19728  0.230962  2.5122   0.204743  
1 1 1 48 1  24 o 2.93153  0.139795  8.65457      0.819629 10.3516      1.11962  6.69486      1.20314  3.19966  0.174959  2.56192  0.234812  
1 1 1 48 1  25 o 3.45689  0.122004  12.0165      0.843506 12.2178      1.20198  11.8212      1.18402  3.47594  0.1729    3.41899  0.173153  
1 1 1 48 1  26 f 5.103    0.103655  26.1535      1.05791  26.5194      1.5312   25.8193      1.46332  5.12642  0.149344  5.05973  0.144605  
1 1 1 48 1  27 o 0.714672 0.303771  0.0658753    0.759114 1.72433      1.08333  -1.53402     1.06403  1.25929  0.390189  0.607297 0.292948  
1 1 1 48 1  28 o 2.13962  0.18924   4.67164      0.809803 4.8817       1.17719  4.48293      1.11575  2.16402  0.271991  2.0747   0.268894  
1 1 1 48 1  29 o 1.58554  0.247959  2.61001      0.786297 2.03773      1.08589  3.24083      1.14007  1.34527  0.384333  1.71195  0.34508   
1 1 1 48 1  30 o 0.875281 0.332991  0.644944     0.807516 1.60716      1.13677  -0.335189    1.14731  1.20741  0.401955  0.781926 0.35133   
1 1 1 48 1  31 o 0.690077 0.304672  -0.137915    0.823563 -1.03464     1.17321  0.733235     1.15636  0.695515 0.326794  0.982709 0.391808  
1 1 1 48 1  32 o 1.0448   0.343716  1.19271      0.831223 1.44249      1.17642  0.943685     1.17464  1.15027  0.407453  1.02521  0.398705  
1 1 1 48 1  33 o 1.33491  0.323812  2.05952      0.856899 1.84265      1.21183  2.27638      1.21185  1.23739  0.415014  1.36124  0.410876  
1 1 1 48 1  34 o 1.40078  0.309206  2.2673       0.843048 2.05081      1.19333  2.48299      1.19117  1.28073  0.411432  1.40805  0.402617  
1 1 1 48 1  35 o 1.6126   0.262755  2.881        0.847438 2.5725       1.19041  3.19799      1.20667  1.40454  0.402773  1.58909  0.383503  
1 1 1 48 1  36 o 0.789723 0.329003  0.467132     0.861836 -0.4114      1.22142  1.33821      1.21623  0.738962 0.34328   1.03936  0.405396  
1 1 1 48 1  37 o 0.704662 0.317532  0.0337097    0.943985 -0.541977    1.30209  0.671501     1.37053  0.720808 0.340305  0.889467 0.392826  
1 1 1 48 1  38 o 1.69061  0.338958  3.82597      1.10568  3.78536      1.59518  3.86351      1.53396  1.44697  0.476153  1.49188  0.464715  
1 1 1 48 1  39 o 0.864097 0.383158  1.18977      1.32169  1.2277       1.99448  1.16007      1.76483  0.874199 0.416619  0.86498  0.405342  
1 1 1 48 1  40 o 0.745233 0.353592  0.476705     1.42267  -1.70453     2.04173  2.53522      1.98346  0.668551 0.336579  0.934909 0.435516  
1 1 1 48 2  0  o 0.952838 0.395701  1.28178      0.747419 1.28178      0.747419 1.28178      0.747419 1.0228   0.297938  ?        ?         
1 1 1 48 2  1  o 9.55439  0.0833748 91.321       1.59319  90.8612      2.23688  91.7943      2.2697   9.52856  0.117378  9.57729  0.118494  
1 1 1 48 2  2  f 5.19398  0.074868  26.9857      0.777725 26.4874      1.08864  27.5052      1.11145  5.14501  0.105796  5.24292  0.105996  
1 1 1 48 2  3  o 15.4614  0.112439  239.223      3.47692  236.583      4.86818  241.973      4.96754  15.3705  0.158362  15.5443  0.159786  
1 1 1 48 2  4  o 12.5987  0.0923182 158.806      2.32618  160.096      3.28291  157.505      3.29657  12.6468  0.129792  12.5438  0.131402  
1 1 1 48 2  5  o 6.34732  0.0681956 40.2996      0.865718 40.4271      1.2325   40.1755      1.21628  6.35644  0.0969492 6.33666  0.0959715 
1 1 1 48 2  6  o 11.9734  0.091325  143.436      2.18694  144.11       3.07597  142.748      3.1099   11.9984  0.128183  11.9413  0.130216  
1 1 1 48 2  7  o 11.3257  0.0881401 128.337      1.9965   127.584      2.79203  129.125      2.85601  11.2896  0.123655  11.3574  0.125734  
1 1 1 48 2  8  o 4.81109  0.0725753 23.1551      0.698332 22.9563      0.992267 23.3502      0.982979 4.78945  0.103589  4.83043  0.101749  
1 1 1 48 2  9  o 4.06773  0.0776683 16.554       0.631868 17.9146      0.966865 15.5397      0.834802 4.23045  0.114275  3.94035  0.10593   
1 1 1 48 2  10 o 10.1078  0.0853977 102.23       1.72637  101.029      2.44742  103.42       2.43552  10.045   0.121823  10.1634  0.119818  
1 1 1 48 2  11 o 1.88451  0.141608  3.55817      0.533723 3.79516      0.77577  3.34518      0.735441 1.94445  0.199484  1.82547  0.201439  
1 1 1 48 2  12 o 4.61971  0.0765199 21.355       0.707    22.6091      1.0644   20.3647      0.945776 4.75178  0.112     4.51013  0.10485   
1 1 1 48 2  13 o 7.89933  0.0847719 62.45        1.33928  61.525       2.00807  63.1911      1.79745  7.83652  0.128122  7.94354  0.113139  
1 1 1 48 2  14 o 4.76511  0.079655  22.7242      0.75913  21.5008      1.00821  24.3257      1.15355  4.63348  0.108797  4.9279   0.117043  
1 1 1 48 2  15 o 5.47064  0.0778696 29.9531      0.851993 31.8304      1.24579  28.3035      1.16779  5.63706  0.1105    5.31564  0.109844  
1 1 1 48 2  16 o 8.78411  0.0825102 77.2397      1.44956  76.8766      2.09016  77.5762      2.01204  8.75844  0.119322  8.79898  0.114334  
1 1 1 48 2  17 o 4.38425  0.0838261 19.2445      0.735029 20.3375      1.03403  18.1282      1.04503  4.50465  0.114774  4.25225  0.12288   
1 1 1 48 2  18 o 2.68321  0.113204  7.21712      0.607501 7.60905      0.856808 6.82091      0.861482 2.75213  0.155663  2.60494  0.165355  
1 1 1 48 2  19 o 1.70162  0.169327  2.91267      0.576261 3.64976      0.812419 2.16629      0.817517 1.90155  0.213621  1.43357  0.295236  
1 1 1 48 2  20 o 2.83183  0.113558  8.04296      0.643154 7.17143      0.88985  8.99621      0.930634 2.66948  0.166671  2.9911   0.155567  
1 1 1 48 2  21 o 3.70771  0.100122  13.7837      0.742448 13.8817      1.03934  13.6815      1.06095  3.71627  0.139837  3.68881  0.143807  
1 1 1 48 2  22 o 2.34968  0.145692  5.55563      0.684658 5.28082      0.962905 5.83663      0.973691 2.28314  0.210873  2.40146  0.202729  
1 1 1 48 2  23 o 3.95699  0.103682  15.7132      0.820542 14.9018      1.15422  16.5423      1.16672  3.84587  0.15006   4.05325  0.143924  
1 1 1 48 2  24 o 4.50278  0.102785  20.352       0.925635 21.3591      1.31007  19.348       1.30802  4.60475  0.142252  4.38099  0.149284  
1 1 1 48 2  25 o 1.53483  0.247754  2.41225      0.760522 1.69119      1.03679  3.25217      1.11899  1.25631  0.380211  1.74016  0.333412  
1 1 1 48 2  26 o 5.6753   0.0960514 32.339       1.09024  32.3303      1.5463   32.3475      1.5374   5.66284  0.136531  5.66462  0.135702  
1 1 1 48 2  27 o 2.02176  0.196509  4.16793      0.794586 3.44408      1.11217  4.92263      1.13562  1.78484  0.323458  2.1813   0.260309  
1 1 1 48 2  28 o 0.527989 0.25359   -1.06062     0.776257 -1.05927     1.1002   -1.06195     1.0954   0.671506 0.315789  0.669291 0.31485   
1 1 1 48 2  29 o 2.56873  0.166527  6.71606      0.855522 6.76705      1.23333  6.66878      1.18774  2.55355  0.241492  2.53776  0.234014  
1 1 1 48 2  30 f 1.53034  0.277817  2.54137      0.818964 2.28805      1.13705  2.81443      1.18055  1.40983  0.390258  1.56693  0.380066  
1 1 1 48 2  31 o 1.02377  0.343351  1.11555      0.829459 0.720229     1.16993  1.51509      1.17616  0.981072 0.392999  1.17824  0.408369  
1 1 1 48 2  32 o 1.83331  0.233146  3.52921      0.854857 3.51711      1.20139  3.54162      1.21665  1.75294  0.355073  1.75694  0.35865   
1 1 1 48 2  33 o 1.17921  0.340536  1.62882      0.848021 1.05596      1.19495  2.21006      1.20366  1.03169  0.40195   1.33761  0.410649  
1 1 1 48 2  34 o 0.805404 0.326429  0.476149     0.820598 1.00194      1.16891  -0.0347843   1.15227  1.00277  0.395772  0.799472 0.35582   
1 1 1 48 2  35 o 2.02338  0.218418  4.41424      0.883888 4.18194      1.21755  4.67308      1.2852   1.85971  0.339989  1.99754  0.321696  
1 1 1 48 2  36 o 0.982685 0.34835   1.18494      0.860026 0.724866     1.21928  1.64048      1.21326  0.909311 0.385684  1.10728  0.411241  
1 1 1 48 2  37 o 0.777227 0.335349  0.452578     0.950278 -1.11569     1.27988  2.37919      1.41859  0.654151 0.316643  1.20248  0.445063  
1 1 1 48 2  38 o 1.56318  0.378745  3.54702      1.17334  4.23306      1.69254  2.91226      1.62804  1.49947  0.490468  1.22747  0.471108  
1 1 1 48 2  39 o 0.708188 0.339003  -0.0511187   1.35842  2.09408      2.06267  -1.69412     1.80516  0.932177 0.437079  0.660468 0.32989   
1 1 1 48 2  40 o 0.619297 0.30515   -0.68457     1.36099  -0.600408    1.98001  -0.759949    1.87385  0.684603 0.342302  0.66881  0.334348  
1 1 1 48 3  0  o 6.28481  0.103552  39.5432      1.30081  39.5432      1.30081  39.5432      1.30081  6.28657  0.0731794 ?        ?         
1 1 1 48 3  1  o 10.1021  0.0819872 102.093      1.65649  100.982      2.33417  103.221      2.35119  10.045   0.116185  10.1558  0.115756  
1 1 1 48 3  2  f 9.10691  0.0794504 82.9666      1.4471   81.1105      2.05225  84.802       2.0408   9.0027   0.11398   9.20547  0.110847  
1 1 1 48 3  3  o 10.9751  0.0876725 120.509      1.92444  119.783      2.61256  121.37       2.84545  10.9399  0.119406  11.0113  0.129206  
1 1 1 48 3  4  o 9.51646  0.0820069 90.6004      1.56083  89.8381      2.08632  91.5694      2.35222  9.47474  0.110099  9.56471  0.122963  
1 1 1 48 3  5  o 1.84608  0.139123  3.41223      0.513665 3.63228      0.738886 3.20641      0.714588 1.90355  0.194082  1.78835  0.19979   
1 1 1 48 3  6  o 7.70923  0.0711746 59.4523      1.0974   60.8933      1.54975  58.0031      1.55418  7.80082  0.0993328 7.6133   0.10207   
1 1 1 48 3  7  o 2.72671  0.102614  7.44046      0.559594 5.89739      0.821849 8.7742       0.764076 2.42597  0.169386  2.96037  0.129051  
1 1 1 48 3  8  o 1.79835  0.142029  3.239        0.510836 3.99919      0.730383 2.51104      0.714733 1.99724  0.182848  1.58154  0.225961  
1 1 1 48 3  9  o 4.05909  0.0771894 16.4843      0.626637 16.1608      0.907516 16.7791      0.866316 4.01791  0.112934  4.09432  0.105795  
1 1 1 48 3  10 o 5.23484  0.0714922 27.4165      0.748501 28.0379      1.09505  26.8716      1.02545  5.29246  0.103454  5.18143  0.0989547 
1 1 1 48 3  11 o 2.45423  0.112582  6.03118      0.552603 5.74529      0.801804 6.28984      0.762663 2.39348  0.167498  2.50497  0.15223   
1 1 1 48 3  12 o 3.8519   0.0842336 14.8487      0.648918 14.4535      0.929888 15.2238      0.905996 3.79865  0.122397  3.89887  0.116187  
1 1 1 48 3  13 o 5.00998  0.0791808 25.1187      0.793388 24.2962      1.12909  25.9208      1.11509  4.92525  0.114622  5.08759  0.109589  
1 1 1 48 3  14 o 1.69972  0.168269  2.89996      0.572019 2.72459      0.832903 3.05651      0.786965 1.6436   0.253377  1.74237  0.225832  
1 1 1 48 3  15 o 3.71628  0.0870738 13.8259      0.647182 13.8241      0.898603 13.8279      0.932865 3.71412  0.120971  3.71431  0.125577  
1 1 1 48 3  16 o 3.65406  0.0914837 13.3699      0.668573 14.57        0.956524 12.2236      0.934857 3.81224  0.125454  3.49119  0.133888  
1 1 1 48 3  17 o 3.82814  0.0907622 14.6763      0.694901 13.4445      0.959631 16.0343      1.0076   3.66103  0.13106   3.99858  0.125995  
1 1 1 48 3  18 o 4.84717  0.0810449 23.5257      0.785677 24.8273      1.14762  22.3774      1.07788  4.97615  0.115312  4.7244   0.114076  
1 1 1 48 3  19 o 1.78129  0.163186  3.19107      0.581363 2.44574      0.809555 3.98475      0.835398 1.52908  0.274704  1.98689  0.210227  
1 1 1 48 3  20 o 3.02538  0.107918  9.17872      0.652984 8.21337      0.902197 10.2407      0.946297 2.8573   0.157876  3.19165  0.148246  
1 1 1 48 3  21 o 2.60132  0.130911  6.79922      0.681085 7.50558      0.942639 6.02769      0.985169 2.7284   0.172746  2.44144  0.20176   
1 1 1 48 3  22 o 2.07642  0.163882  4.34701      0.680574 4.35999      0.965377 4.3342       0.959603 2.07085  0.233087  2.06482  0.232369  
1 1 1 48 3  23 o 3.37416  0.11796   11.4399      0.796029 11.2193      1.12461  11.6613      1.12691  3.33298  0.168709  3.39858  0.165791  
1 1 1 48 3  24 o 3.32477  0.119972  11.1109      0.797755 9.82958      1.10891  12.4854      1.14853  3.11747  0.177854  3.51658  0.163302  
1 1 1 48 3  25 o 3.08016  0.134043  9.55527      0.825748 10.6773      1.14313  8.33102      1.1941   3.24755  0.175999  2.86155  0.208646  
1 1 1 48 3  26 o 1.21479  0.310732  1.60227      0.758028 0.922578     1.08583  2.24842      1.05871  1.03385  0.388034  1.42694  0.368506  
1 1 1 48 3  27 o 4.50908  0.113003  20.471       1.01908  21.7162      1.45164  19.2609      1.43098  4.62957  0.156779  4.35725  0.164206  
1 1 1 48 3  28 o 1.01358  0.331994  1.07267      0.775492 0.847929     1.09491  1.2989       1.09852  1.00762  0.386458  1.12726  0.39428   
1 1 1 48 3  29 o 4.12494  0.117205  17.1713      0.966925 17.5439      1.38487  16.8169      1.35065  4.15006  0.166849  4.06345  0.166195  
1 1 1 48 3  30 f 3.55054  0.127027  12.7598      0.902032 12.8977      1.25948  12.6147      1.29249  3.54942  0.17742   3.50707  0.184269  
1 1 1 48 3  31 o 1.76317  0.240596  3.26124      0.848423 3.86183      1.1829   2.62496      1.21755  1.88844  0.313195  1.49467  0.399498  
1 1 1 48 3  32 o 2.37559  0.187198  5.83951      0.889411 5.33502      1.26313  6.33559      1.25257  2.22299  0.284106  2.43902  0.256777  
1 1 1 48 3  33 o 0.812601 0.329563  0.468071     0.837202 -0.0824832   1.18302  1.02042      1.18495  0.807424 0.359914  1.01859  0.399562  
1 1 1 48 3  34 o 0.738077 0.31507   0.200607     0.822873 -1.21514     1.153    1.67027      1.17475  0.646388 0.310117  1.16408  0.407675  
1 1 1 48 3  35 o 0.639149 0.292567  -0.308444    0.848283 -0.306034    1.19186  -0.310918    1.2076   0.750144 0.344801  0.75383  0.346737  
1 1 1 48 3  36 o 0.820465 0.334512  0.613699     0.867378 1.30442      1.24054  -0.0469432   1.21323  1.02208  0.406348  0.778398 0.354192  
1 1 1 48 3  37 o 0.84025  0.351144  0.758766     0.986467 0.693781     1.40782  0.821449     1.38267  0.878924 0.392182  0.895561 0.395162  
1 1 1 48 3  38 o 1.0612   0.396994  1.87725      1.13472  1.64467      1.62535  2.09839      1.58489  0.977106 0.430042  1.04871  0.442007  
1 1 1 48 3  39 o 1.0063   0.410219  2.06368      1.30421  0.862778     1.87716  3.18435      1.81337  0.830037 0.397614  1.09089  0.466764  
1 1 1 48 3  40 o 0.579708 0.288137  -1.01927     1.29655  -0.960159    1.84637  -1.07678     1.82108  0.645608 0.324805  0.638125 0.321087  
1 1 1 48 4  0  f 5.92776  0.103666  35.1822      1.22816  35.1822      1.22816  35.1822      1.22816  5.92961  0.0732546 ?        ?         
1 1 1 48 4  1  o 3.57124  0.0839092 12.7593      0.599319 12.9635      0.866545 12.572       0.82978  3.59886  0.120392  3.54419  0.117062  
1 1 1 48 4  2  o 2.42434  0.118679  5.8826       0.575437 6.56919      0.788113 5.09862      0.842152 2.56112  0.153861  2.25553  0.186686  
1 1 1 48 4  3  o 7.40767  0.0714158 54.8914      1.05805  56.4758      1.47637  53.2185      1.51708  7.51269  0.0982583 7.29255  0.104015  
1 1 1 48 4  4  o 8.90146  0.0764258 79.2664      1.3606   79.541       1.89726  78.9756      1.95228  8.91521  0.106406  8.88325  0.109885  
1 1 1 48 4  5  o 4.09685  0.0756325 16.7907      0.61971  16.2414      0.858714 17.3878      0.895229 4.02847  0.106581  4.1682   0.107388  
1 1 1 48 4  6  o 7.58487  0.0727545 57.5521      1.10367  55.7546      1.50243  59.659       1.6266   7.46415  0.100643  7.72081  0.105339  
1 1 1 48 4  7  o 9.45724  0.0795243 89.4825      1.50416  89.9238      2.10228  89.0196      2.15304  9.47832  0.110899  9.43027  0.114156  
1 1 1 48 4  8  o 0.870036 0.260543  0.768466     0.48858  0.564029     0.700559 0.962066     0.681738 0.846573 0.312877  0.983439 0.310478  
1 1 1 48 4  9  f 5.89225  0.0707036 34.7344      0.833206 34.2158      1.21131  35.2002      1.1479   5.84656  0.103592  5.93044  0.0967808 
1 1 1 48 4  10 o 2.56261  0.106558  6.57463      0.54613  7.54219      0.79782  5.72148      0.749165 2.74335  0.14541   2.38897  0.156796  
1 1 1 48 4  11 o 7.49842  0.0729697 56.2587      1.09431  56.2578      1.52748  56.2597      1.56853  7.49631  0.101882  7.49621  0.104622  
1 1 1 48 4  12 o 2.36462  0.120012  5.60074      0.567565 5.61843      0.784344 5.58129      0.82232  2.36655  0.165714  2.35832  0.174344  
1 1 1 48 4  13 o 2.65367  0.10656   7.05219      0.565549 7.29589      0.808738 6.81898      0.791165 2.69721  0.149921  2.60748  0.151711  
1 1 1 48 4  14 o 2.27895  0.129949  5.20591      0.592295 4.19234      0.859455 6.1227       0.817391 2.04116  0.210532  2.46965  0.165487  
1 1 1 48 4  15 o 2.40625  0.127842  5.8044       0.615241 5.39806      0.90829  6.14889      0.836322 2.31655  0.196044  2.47428  0.169003  
1 1 1 48 4  16 o 5.15425  0.0787325 26.5942      0.811613 27.5045      1.11019  25.5491      1.1895   5.23945  0.105945  5.04863  0.117804  
1 1 1 48 4  17 o 2.43927  0.124233  5.96735      0.606077 5.91792      0.823839 6.02566      0.894794 2.42609  0.169788  2.44702  0.182834  
1 1 1 48 4  18 o 2.96606  0.107165  8.81826      0.635718 9.08524      0.921123 8.57542      0.878475 3.00699  0.153164  2.92165  0.150339  
1 1 1 48 4  19 o 2.31559  0.130044  5.38239      0.602258 5.71551      0.850263 5.04698      0.853188 2.38222  0.17846   2.23744  0.190661  
1 1 1 48 4  20 f 5.03016  0.0837095 25.3481      0.842144 24.7541      1.17341  25.9791      1.20935  4.96648  0.118133  5.08777  0.118848  
1 1 1 48 4  21 o 3.1086   0.113381  9.69935      0.70491  8.80852      1.00269  10.5699      0.991197 2.95573  0.169618  3.24027  0.15295   
1 1 1 48 4  22 o 0.601252 0.266769  -0.211825    0.641983 -0.664979    0.902545 0.252249     0.913354 0.64855  0.298896  0.827218 0.341257  
1 1 1 48 4  23 o 4.6476   0.0963253 21.6726      0.895363 21.9877      1.27873  21.3695      1.2541   4.67325  0.136813  4.60725  0.136101  
1 1 1 48 4  24 o 3.21792  0.12455   10.415       0.801582 11.8305      1.10928  8.86816      1.15961  3.4227   0.162048  2.95666  0.196101  
1 1 1 48 4  25 o 3.95978  0.108487  15.7542      0.85917  16.0774      1.1811   15.3909      1.25211  3.99192  0.147936  3.90273  0.160415  
1 1 1 48 4  26 o 3.27448  0.130953  10.8144      0.857605 9.98346      1.19906  11.6847      1.2271   3.13114  0.191473  3.39069  0.180951  
1 1 1 48 4  27 o 1.97778  0.208488  4.00796      0.824686 3.40394      1.13265  4.68944      1.20309  1.76583  0.3329    2.11739  0.284098  
1 1 1 48 4  28 o 0.982372 0.337009  0.973992     0.799266 2.18569      1.15132  -0.153204    1.11045  1.39036  0.395275  0.804332 0.354621  
1 1 1 48 4  29 o 2.14023  0.194894  4.70296      0.834236 4.87994      1.20221  4.53859      1.15858  2.15084  0.279474  2.07433  0.279265  
1 1 1 48 4  30 o 1.38199  0.301863  2.11136      0.811319 1.6834       1.13637  2.55633      1.15872  1.22594  0.401884  1.48881  0.386005  
1 1 1 48 4  31 o 1.22718  0.32839   1.70631      0.822089 1.4532       1.14219  1.97836      1.18416  1.1507   0.402082  1.30114  0.40891   
1 1 1 48 4  32 o 2.02469  0.213752  4.29734      0.865562 4.12278      1.23745  4.46456      1.21115  1.92851  0.32083   2.01938  0.299882  
1 1 1 48 4  33 o 1.08443  0.344749  1.37095      0.839468 0.595498     1.18705  2.14677      1.18733  0.926564 0.386072  1.31285  0.408833  
1 1 1 48 4  34 o 0.848149 0.332536  0.662525     0.820532 -0.409358    1.16186  1.72907      1.15896  0.740778 0.34047   1.17353  0.405504  
1 1 1 48 4  35 o 0.734335 0.317027  0.220558     0.850219 1.03864      1.20703  -0.585063    1.1978   0.976747 0.395888  0.712802 0.334012  
1 1 1 48 4  36 o 1.4014   0.328434  2.48948      0.905442 1.97202      1.2445   3.07145      1.3198   1.16461  0.418417  1.44725  0.427064  
1 1 1 48 4  37 o 0.642386 0.300133  -0.313932    0.950819 -1.02646     1.37036  0.347545     1.32036  0.676716 0.327579  0.81475  0.370403  
1 1 1 48 4  38 o 0.625297 0.302633  -0.727021    1.16755  -0.929118    1.63594  -0.517218    1.66683  0.700022 0.343338  0.733354 0.356773  
1 1 1 48 4  39 o 0.50726  0.256782  -2.95663     1.30298  -2.62508     1.91931  -3.24006     1.77456  0.638435 0.321988  0.590884 0.29923   
1 1 1 48 5  0  o 1.43349  0.357173  2.40686      0.88504  2.40686      0.88504  2.40686      0.88504  1.50338  0.222737  ?        ?         
1 1 1 48 5  1  f 5.08463  0.0724036 25.8625      0.736292 24.8078      1.05628  26.8593      1.02689  4.97886  0.106076  5.18088  0.0991041 
1 1 1 48 5  2  o 15.2273  0.109806  232.059      3.34409  229.99       4.65081  234.275      4.81182  15.1532  0.153459  15.2931  0.15732   
1 1 1 48 5  3  o 4.66874  0.0713898 21.8048      0.666601 21.3895      0.918411 22.2672      0.969059 4.62328  0.0993246 4.71708  0.102718  
1 1 1 48 5  4  o 4.46687  0.0722353 19.9603      0.645331 20.1365      0.899367 19.7734      0.92651  4.48574  0.100247  4.44499  0.10422   
1 1 1 48 5  5  o 9.69816  0.0792485 94.0981      1.53713  94.233       2.16289  93.9605      2.18494  9.70285  0.111456  9.68871  0.112757  
1 1 1 48 5  6  o 11.6873  0.0885629 136.677      2.07012  136.421      2.86511  136.957      2.99436  11.673   0.122724  11.6953  0.128015  
1 1 1 48 5  7  o 4.99637  0.0698685 24.9739      0.698178 24.7204      0.959467 25.2592      1.01786  4.97001  0.0965257 5.02368  0.101307  
1 1 1 48 5  8  o 4.52117  0.0732771 20.451       0.662596 20.2996      0.892327 20.6371      0.989255 4.50348  0.0990708 4.54034  0.108941  
1 1 1 48 5  9  o 6.58676  0.0721192 43.4084      0.950064 42.0934      1.31697  44.8354      1.37189  6.48456  0.101547  6.69237  0.102497  
1 1 1 48 5  10 o 6.87948  0.0717209 47.3534      0.986804 48.2318      1.3968   46.4782      1.39431  6.94115  0.100617  6.81367  0.102317  
1 1 1 48 5  11 o 4.4253   0.0755763 19.596       0.668896 19.7419      0.963638 19.4603      0.929224 4.44021  0.108513  4.4086   0.105388  
1 1 1 48 5  12 o 7.01031  0.0759246 49.1796      1.06451  48.6884      1.54304  49.6256      1.47047  6.9724   0.110653  7.03977  0.10444   
1 1 1 48 5  13 o 4.57092  0.0765666 20.9101      0.699959 20.1311      0.970493 21.7546      1.0105   4.48317  0.108237  4.66042  0.108413  
1 1 1 48 5  14 o 7.35671  0.0821137 54.1749      1.20817  53.595       1.67535  54.8032      1.74394  7.31375  0.114534  7.3953   0.117909  
1 1 1 48 5  15 o 2.16087  0.139079  4.68392      0.601062 4.00421      0.905297 5.21975      0.803787 1.99269  0.227154  2.27891  0.176353  
1 1 1 48 5  16 o 2.19172  0.133721  4.8191       0.586158 2.98168      0.802895 6.91603      0.857723 1.71831  0.23363   2.62351  0.163468  
1 1 1 48 5  17 o 5.38597  0.0773302 29.0431      0.832996 28.0265      1.14431  30.189       1.21493  5.28789  0.108201  5.4878   0.110694  
1 1 1 48 5  18 o 1.01736  0.27343   1.08748      0.5684   1.24067      0.800546 0.931746     0.807172 1.09741  0.334493  0.991469 0.338707  
1 1 1 48 5  19 o 7.66355  0.0820879 58.8242      1.25817  58.0497      1.76321  59.6277      1.79588  7.60688  0.115895  7.70945  0.116473  
1 1 1 48 5  20 o 0.944119 0.302663  0.896929     0.646026 0.924081     0.900836 0.868179     0.926961 1.00611  0.356533  0.996068 0.36079   
1 1 1 48 5  21 o 1.34978  0.253894  1.91482      0.660223 1.23594      0.912838 2.6595       0.956053 1.10496  0.360195  1.58217  0.313276  
1 1 1 48 5  22 o 0.732793 0.2934    0.287494     0.651626 0.350162     0.905846 0.220286     0.938077 0.846444 0.343006  0.828269 0.344039  
1 1 1 48 5  23 o 0.813205 0.312312  0.478498     0.715856 0.525911     1.01191  0.430998     1.01284  0.923213 0.367012  0.900867 0.363669  
1 1 1 48 5  24 o 1.84925  0.200064  3.47355      0.73994  3.17402      1.01114  3.81889      1.0857   1.75315  0.288377  1.92433  0.282099  
1 1 1 48 5  25 o 1.40548  0.265234  2.09711      0.718317 1.23937      0.984035 3.0755       1.05097  1.10652  0.373979  1.69082  0.322363  
1 1 1 48 5  26 o 1.8333   0.217357  3.44176      0.796963 3.5028       1.08712  3.37085      1.17179  1.83095  0.296873  1.75746  0.345694  
1 1 1 48 5  27 o 1.64665  0.234299  2.7977       0.771615 3.7382       1.06956  1.77694      1.11427  1.88998  0.282955  1.26936  0.396208  
1 1 1 48 5  28 o 1.67057  0.242929  2.89525      0.811656 1.77363      1.15579  3.98657      1.14008  1.26469  0.404772  1.94385  0.293253  
1 1 1 48 5  29 o 0.81771  0.324413  0.462626     0.789172 0.35072      1.08742  0.587149     1.14708  0.88394  0.368991  0.949875 0.385551  
1 1 1 48 5  30 o 0.80292  0.322509  0.409853     0.790933 0.34034      1.10285  0.483468     1.13493  0.884411 0.370542  0.923201 0.380554  
1 1 1 48 5  31 o 0.991802 0.341743  1.03661      0.822653 1.36589      1.15185  0.693771     1.17532  1.12752  0.402795  0.969385 0.391578  
1 1 1 48 5  32 f 2.55522  0.170396  6.74232      0.870801 6.09981      1.24472  7.35823      1.21869  2.37948  0.261553  2.6341   0.231329  
1 1 1 48 5  33 o 2.1355   0.200745  4.79444      0.857382 3.76873      1.21248  5.8203       1.21257  1.78544  0.352083  2.31311  0.262108  
1 1 1 48 5  34 o 2.04193  0.214854  4.46809      0.877435 4.07237      1.21886  4.89376      1.26414  1.83965  0.344028  2.06714  0.30577   
1 1 1 48 5  35 o 1.82642  0.243704  3.7078       0.890211 3.86105      1.26436  3.55715      1.25361  1.73111  0.375732  1.64753  0.386672  
1 1 1 48 5  36 o 0.74146  0.321964  0.302973     0.886574 -0.56404     1.23757  1.21702      1.2707   0.704872 0.332483  0.979033 0.402969  
1 1 1 48 5  37 o 0.987481 0.374772  1.40416      1.02083  2.28597      1.45171  0.541621     1.43577  1.14757  0.443868  0.852549 0.387231  
1 1 1 48 5  38 o 1.10634  0.405051  2.25932      1.17107  3.53028      1.74054  1.2081       1.58294  1.20351  0.480427  0.877001 0.400698  
1 1 1 48 5  39 o 0.930585 0.400058  1.76253      1.34315  2.26579      1.98802  1.33989      1.82183  0.935786 0.43596   0.855736 0.403574  
1 1 1 48 6  0  o 1.66857  0.272754  3.00493      0.836821 3.00493      0.836821 3.00493      0.836821 1.70524  0.177936  ?        ?         
1 1 1 48 6  1  f 10.9391  0.0858646 119.727      1.87856  118.931      2.76972  120.405      2.55645  10.8991  0.127062  10.9675  0.116547  
1 1 1 48 6  2  o 11.9868  0.0966573 143.781      2.31722  139.418      3.11934  149.153      3.46137  11.7999  0.132176  12.2037  0.141816  
1 1 1 48 6  3  o 5.97287  0.0684874 35.6876      0.818132 35.2915      1.13614  36.1143      1.17908  5.93861  0.0956567 6.00733  0.0981372 
1 1 1 48 6  4  o 8.73813  0.0739461 76.3873      1.2923   77.6212      1.8162   75.1218      1.8392   8.80663  0.103115  8.66347  0.106147  
1 1 1 48 6  5  o 5.22405  0.0680435 27.301       0.710926 27.6118      0.997055 26.9796      1.01396  5.25275  0.0949079 5.19216  0.0976433 
1 1 1 48 6  6  o 2.91698  0.0888872 8.5146       0.518565 8.72097      0.732788 8.30759      0.733937 2.95116  0.124153  2.88026  0.127408  
1 1 1 48 6  7  o 5.27959  0.0683051 27.8862      0.721246 27.3783      1.00106  28.4345      1.04005  5.2302   0.0956998 5.33003  0.0975651 
1 1 1 48 6  8  o 8.52045  0.0762977 72.6415      1.30018  71.9305      1.78148  73.4518      1.90189  8.47642  0.105084  8.56504  0.111026  
1 1 1 48 6  9  o 3.07055  0.094932  9.43741      0.582988 8.71606      0.790653 10.2969      0.863032 2.94947  0.134033  3.20577  0.134606  
1 1 1 48 6  10 o 4.8386   0.0752415 23.427       0.728126 23.0513      1.03129  23.8003      1.02817  4.79805  0.10747   4.8755   0.105442  
1 1 1 48 6  11 o 0.497241 0.227436  -0.363013    0.511547 -0.121888    0.708133 -0.626169    0.739777 0.659904 0.287165  0.580003 0.268559  
1 1 1 48 6  12 o 7.20455  0.0734886 51.943       1.0589   52.6904      1.51262  51.2248      1.48286  7.25354  0.104268  7.15201  0.103667  
1 1 1 48 6  13 o 5.41446  0.0729589 29.3388      0.790065 30.677       1.15796  28.1732      1.08069  5.5343   0.104616  5.30386  0.101877  
1 1 1 48 6  14 o 7.6862   0.0789363 59.1349      1.21344  58.7496      1.72421  59.5129      1.70803  7.65721  0.112587  7.70704  0.11081   
1 1 1 48 6  15 o 3.4327   0.0929881 11.801       0.6384   10.8023      0.880835 12.9061      0.926569 3.28156  0.13421   3.58731  0.129145  
1 1 1 48 6  16 o 5.02812  0.0792788 25.3122      0.797247 25.2003      1.13106  25.4226      1.12393  5.01393  0.112792  5.03612  0.111587  
1 1 1 48 6  17 o 11.276   0.095192  127.385      2.14677  123.199      2.839    132.975      3.28066  11.081   0.128103  11.5076  0.142543  
1 1 1 48 6  18 o 1.90735  0.152288  3.65692      0.580934 2.74306      0.809209 4.62881      0.834505 1.64514  0.245938  2.14241  0.194758  
1 1 1 48 6  19 o 2.36164  0.132757  5.60233      0.627047 6.38801      0.874144 4.76954      0.899978 2.51786  0.173589  2.17215  0.207163  
1 1 1 48 6  20 o 2.58116  0.133192  6.69618      0.687577 6.63033      0.952686 6.76776      0.993349 2.56241  0.185897  2.588    0.191914  
1 1 1 48 6  21 o 3.53183  0.102341  12.5148      0.722904 11.8775      0.991551 13.2378      1.05619  3.4351   0.144326  3.62627  0.14563   
1 1 1 48 6  22 o 1.89442  0.1796    3.62995      0.680476 3.13202      0.963253 4.126        0.961426 1.74616  0.27582   2.01081  0.239064  
1 1 1 48 6  23 o 0.976053 0.317466  0.962935     0.709106 1.12111      0.990084 0.796345     1.01607  1.07721  0.374549  0.992449 0.374706  
1 1 1 48 6  24 o 1.1953   0.285877  1.53226      0.675213 2.14983      0.945572 0.889725     0.964502 1.40703  0.339434  1.0029   0.367554  
1 1 1 48 6  25 o 2.45319  0.154058  6.08797      0.755866 5.93953      1.0424   6.25256      1.09765  2.40989  0.216276  2.47108  0.222098  
1 1 1 48 6  26 o 2.05125  0.192798  4.29136      0.790954 4.74335      1.06787  3.74201      1.17727  2.14248  0.249214  1.88571  0.312156  
1 1 1 48 6  27 o 2.24337  0.180577  5.1301       0.810201 3.9124       1.13357  6.4018       1.15843  1.92911  0.293807  2.49046  0.232573  
1 1 1 48 6  28 o 0.820145 0.325241  0.454282     0.792896 1.88213      1.12729  -0.943752    1.11546  1.29367  0.397459  0.688568 0.322597  
1 1 1 48 6  29 o 2.06679  0.198588  4.39823      0.82088  4.40558      1.13924  4.39029      1.18384  2.04008  0.279214  2.03155  0.291365  
1 1 1 48 6  30 o 2.05251  0.206024  4.35925      0.845732 4.82043      1.20026  3.90449      1.19187  2.12739  0.282097  1.90104  0.31348   
1 1 1 48 6  31 o 2.13639  0.198634  4.73442      0.84872  4.53918      1.20971  4.92368      1.19105  2.04788  0.295357  2.14217  0.277999  
1 1 1 48 6  32 o 1.26818  0.331019  1.88008      0.848478 1.17302      1.19965  2.58778      1.20021  1.05882  0.404977  1.44938  0.400836  
1 1 1 48 6  33 o 1.90149  0.224501  3.85799      0.853775 4.28392      1.22377  3.45409      1.19171  1.94522  0.314558  1.69334  0.362401  
1 1 1 48 6  34 o 0.694685 0.306645  0.0153566    0.833688 -0.16278     1.16433  0.202771     1.19427  0.767017 0.34847   0.831309 0.366976  
1 1 1 48 6  35 o 0.609767 0.285436  -0.51163     0.866499 0.380468     1.20945  -1.45244     1.24203  0.84803  0.372109  0.635344 0.30874   
1 1 1 48 6  36 o 0.95274  0.3526    1.19349      0.890353 1.55114      1.28282  0.861074     1.23674  1.03464  0.412627  0.89772  0.384835  
1 1 1 48 6  37 o 0.866927 0.36664   0.897806     1.09662  0.750359     1.51394  1.06057      1.59062  0.880498 0.399151  0.926289 0.414994  
1 1 1 48 6  38 o 0.745757 0.342586  0.44998      1.17472  -0.795846    1.66342  1.68948      1.65919  0.695446 0.342564  0.917969 0.416766  
1 1 1 48 6  39 o 0.544348 0.272174  -1.71745     1.2528   -1.18293     1.92994  -2.10672     1.64697  0.671816 0.335908  0.594837 0.299985  
1 1 1 48 7  0  o 3.88836  0.119153  15.1703      0.924654 15.1703      0.924654 15.1703      0.924654 3.89164  0.084093  ?        ?         
1 1 1 48 7  1  o 10.0476  0.0815009 101.008      1.63778  98.8437      2.33688  103.097      2.29601  9.93655  0.11759   10.1485  0.113121  
1 1 1 48 7  2  o 4.65003  0.0721561 21.6318      0.671056 20.658       0.923274 22.7223      0.97704  4.54321  0.10161   4.76477  0.102528  
1 1 1 48 7  3  f 10.4387  0.0833081 109.029      1.73925  108.105      2.44766  109.97       2.47187  10.3914  0.117773  10.4806  0.117926  
1 1 1 48 7  4  o 8.4423   0.0742355 71.306       1.25344  69.689       1.73354  73.0776      1.81448  8.34412  0.103878  8.54439  0.10618   
1 1 1 48 7  5  o 5.87139  0.0673542 34.4874      0.790925 34.5005      1.10841  34.4737      1.12894  5.87134  0.0943919 5.86898  0.0961787 
1 1 1 48 7  6  o 5.37866  0.0685876 28.9432      0.737819 28.7797      1.03328  29.1133      1.05389  5.36227  0.0963475 5.39319  0.0977057 
1 1 1 48 7  7  o 6.57734  0.0701567 43.2834      0.922888 43.9986      1.29815  42.5526      1.31229  6.62987  0.0979013 6.51984  0.100638  
1 1 1 48 7  8  o 8.52711  0.0763533 72.7574      1.30215  71.2291      1.7884   74.4817      1.89966  8.43464  0.106015  8.62466  0.11013   
1 1 1 48 7  9  o 5.60798  0.0737094 31.4687      0.826721 31.2751      1.21391  31.6361      1.12902  5.58869  0.108604  5.6214   0.100422  
1 1 1 48 7  10 o 4.17306  0.0783611 17.4273      0.654012 16.8395      0.898452 18.0899      0.953857 4.10062  0.109551  4.24999  0.112219  
1 1 1 48 7  11 o 1.86507  0.143981  3.48796      0.53707  3.69556      0.730602 3.24389      0.792194 1.91781  0.190478  1.79534  0.220625  
1 1 1 48 7  12 o 3.37256  0.0871569 11.3864      0.587883 11.5661      0.809238 11.1855      0.855472 3.39748  0.119094  3.34059  0.128042  
1 1 1 48 7  13 o 8.11755  0.0822623 65.9619      1.33554  66.639       1.91983  65.3268      1.8591   8.15465  0.117714  8.07433  0.115124  
1 1 1 48 7  14 o 5.60209  0.0769219 31.4143      0.861847 30.8881      1.21334  31.9502      1.22441  5.55215  0.109268  5.64689  0.108414  
1 1 1 48 7  15 f 6.82122  0.0781364 46.5811      1.06597  46.237       1.51409  46.9192      1.50102  6.79204  0.11146   6.8422   0.109688  
1 1 1 48 7  16 o 3.51446  0.0948302 12.3736      0.666553 12.6707      0.968802 12.1066      0.918504 3.55301  0.136335  3.47341  0.132219  
1 1 1 48 7  17 o 7.16327  0.0822668 51.3866      1.1786   50.2335      1.5733   52.8612      1.77921  7.07831  0.111135  7.25904  0.122552  
1 1 1 48 7  18 o 3.90126  0.0882321 15.2481      0.688433 16.975       0.977157 13.5461      0.970065 4.11317  0.118784  3.67288  0.132058  
1 1 1 48 7  19 o 2.74416  0.126692  7.56343      0.695325 8.32934      0.965276 6.73738      1.00245  2.87511  0.167868  2.58251  0.194085  
1 1 1 48 7  20 o 2.60717  0.129584  6.83133      0.675693 7.08775      0.952175 6.57123      0.959009 2.64963  0.179681  2.55011  0.188033  
1 1 1 48 7  21 o 2.89395  0.116807  8.4125       0.676065 7.91502      0.940717 8.9439       0.972264 2.80023  0.167971  2.97744  0.163272  
1 1 1 48 7  22 o 1.12207  0.302964  1.34484      0.69583  1.17699      1.01303  1.49478      0.957423 1.09811  0.379148  1.18968  0.36645   
1 1 1 48 7  23 o 1.87745  0.190475  3.57362      0.715213 2.65941      0.996684 4.54414      1.02692  1.57169  0.327814  2.10788  0.24359   
1 1 1 48 7  24 o 1.64318  0.20721   2.74723      0.680965 1.64825      0.937665 3.97373      0.990571 1.23617  0.35844   1.96791  0.251681  
1 1 1 48 7  25 f 2.97132  0.136954  8.91199      0.813866 9.05932      1.09899  8.73306      1.21113  2.98463  0.184108  2.92392  0.207107  
1 1 1 48 7  26 o 2.59844  0.149019  6.83705      0.774435 6.89127      1.07355  6.77821      1.11825  2.59361  0.206961  2.569    0.217643  
1 1 1 48 7  27 o 3.35632  0.132374  11.3858      0.888582 10.9268      1.26404  11.8343      1.24938  3.26805  0.193394  3.4049   0.183467  
1 1 1 48 7  28 o 1.64155  0.245395  2.80793      0.805658 3.08275      1.13606  2.52988      1.14271  1.65845  0.353038  1.48895  0.381905  
1 1 1 48 7  29 o 3.77984  0.123297  14.4523      0.932089 16.0266      1.30025  12.788       1.33686  3.96295  0.16405   3.52817  0.189456  
1 1 1 48 7  30 o 2.63461  0.1656    7.10759      0.872582 6.92927      1.238    7.28364      1.23008  2.56815  0.241029  2.63704  0.23323   
1 1 1 48 7  31 o 0.952885 0.339473  0.94194      0.817663 1.78085      1.14493  0.0687111    1.16812  1.23011  0.403395  0.838629 0.366855  
1 1 1 48 7  32 o 0.636911 0.289599  -0.313737    0.807822 0.823003     1.14104  -1.45604     1.14383  0.96622  0.387672  0.624372 0.301727  
1 1 1 48 7  33 o 0.580248 0.272325  -0.642169    0.807686 1.49778      1.16703  -2.60946     1.11896  1.11722  0.404808  0.521658 0.26044   
1 1 1 48 7  34 o 0.919707 0.341048  0.952228     0.833789 1.8791       1.17014  -0.00375215  1.18838  1.18613  0.407687  0.790781 0.356309  
1 1 1 48 7  35 o 0.644657 0.294576  -0.243268    0.855797 -0.381087    1.18378  -0.0923793   1.23864  0.726185 0.337577  0.778183 0.355107  
1 1 1 48 7  36 o 0.736666 0.322024  0.324749     0.898753 1.12787      1.31218  -0.384967    1.23352  0.940959 0.399652  0.711109 0.334402  
1 1 1 48 7  37 o 1.01329  0.38813   1.64332      1.10324  2.50672      1.62199  0.899965     1.50501  1.12274  0.457543  0.879741 0.398433  
1 1 1 48 7  38 o 0.558592 0.275258  -1.2134      1.10793  -1.5052      1.5001   -0.863198    1.64339  0.621857 0.309203  0.683563 0.336654  
1 1 1 48 7  39 o 0.594497 0.293084  -0.712206    1.25969  -1.94718     1.98134  0.125655     1.63199  0.619198 0.314118  0.688474 0.339127  
1 1 1 48 8  0  o 16.4434  0.169245  270.81       5.56459  270.81       5.56459  270.81       5.56459  16.4498  0.119613  ?        ?         
1 1 1 48 8  1  o 7.48793  0.0739547 56.0961      1.10754  56.4282      1.57887  55.7745      1.55401  7.5082   0.105143  7.46466  0.104091  
1 1 1 48 8  2  o 5.18673  0.0694008 26.9138      0.719927 26.8526      1.04492  26.9692      0.993302 5.17958  0.100869  5.19105  0.0956744 
1 1 1 48 8  3  o 15.0017  0.109962  225.302      3.29923  222.032      4.50806  229.074      4.84139  14.885   0.15143   15.1173  0.160128  
1 1 1 48 8  4  o 4.81464  0.0696436 23.1916      0.670618 22.9723      0.927993 23.4313      0.970208 4.79078  0.0968519 4.83825  0.100264  
1 1 1 48 8  5  o 8.56918  0.0746628 73.4727      1.2796   72.9815      1.82465  73.9481      1.79496  8.53798  0.106855  8.59455  0.104424  
1 1 1 48 8  6  o 7.21149  0.0725772 52.0345      1.04678  51.3156      1.49312  52.7294      1.46794  7.15941  0.104277  7.25761  0.101131  
1 1 1 48 8  7  o 5.18122  0.0710215 26.8598      0.735956 27.4202      1.05055  26.3197      1.03131  5.23357  0.100367  5.12745  0.100568  
1 1 1 48 8  8  o 4.6114   0.0732282 21.2779      0.675369 20.9162      0.93607  21.6706      0.975374 4.5707   0.102399  4.65227  0.104828  
1 1 1 48 8  9  f 0.711313 0.264701  0.389277     0.503148 0.760806     0.713056 0.020852     0.710071 0.915032 0.317887  0.694057 0.294353  
1 1 1 48 8  10 o 3.86958  0.0816764 14.9867      0.632106 15.4102      0.904411 14.5822      0.883811 3.92217  0.115295  3.81533  0.115824  
1 1 1 48 8  11 o 4.02474  0.085731  16.2152      0.690091 15.2854      0.92255  17.3964      1.03981  3.90583  0.118099  4.16635  0.124787  
1 1 1 48 8  12 o 1.97268  0.137637  3.90243      0.54303  3.85557      0.749997 3.95407      0.787279 1.95817  0.191504  1.98262  0.198545  
1 1 1 48 8  13 o 2.38582  0.118728  5.70511      0.566525 5.99202      0.798263 5.41395      0.804145 2.44255  0.163408  2.32111  0.173224  
1 1 1 48 8  14 o 3.71401  0.0886655 13.8132      0.65861  14.3569      0.931644 13.27        0.931187 3.78392  0.123106  3.63748  0.127999  
1 1 1 48 8  15 f 3.54577  0.0932275 12.5938      0.661127 13.1219      0.94579  12.0892      0.924523 3.61641  0.130764  3.47097  0.133179  
1 1 1 48 8  16 o 2.66661  0.110484  7.1288       0.589233 7.42475      0.83271  6.832        0.833892 2.71827  0.153169  2.60695  0.159937  
1 1 1 48 8  17 o 1.50615  0.192298  2.28749      0.579257 2.77778      0.836379 1.83553      0.803025 1.65478  0.252716  1.31491  0.310037  
1 1 1 48 8  18 o 1.64208  0.186344  2.72036      0.611984 3.15647      0.823494 2.18239      0.914613 1.76447  0.233355  1.43066  0.326692  
1 1 1 48 8  19 o 0.853955 0.296903  0.67602      0.622124 0.0898785    0.836654 1.40092      0.930432 0.761127 0.320989  1.16207  0.361918  
1 1 1 48 8  20 o 2.0029   0.159638  4.04346      0.639481 4.72728      0.90216  3.35292      0.90658  2.15953  0.208879  1.81344  0.249961  
1 1 1 48 8  21 o 3.57896  0.106468  12.8597      0.76209  12.4096      1.09831  13.2777      1.05832  3.50761  0.156561  3.63029  0.145762  
1 1 1 48 8  22 f 0.81163  0.307498  0.504024     0.686246 1.56023      0.955422 -0.621579    0.986311 1.21149  0.364654  0.691332 0.316044  
1 1 1 48 8  23 o 4.04739  0.102283  16.4493      0.827959 16.8035      1.13462  16.0459      1.21093  4.08357  0.138925  3.98749  0.151841  
1 1 1 48 8  24 f 0.620975 0.27472   -0.183059    0.674199 1.04723      0.910835 -1.67401     1.00269  1.03428  0.359282  0.569205 0.276852  
1 1 1 48 8  25 o 0.82382  0.322284  0.473177     0.769843 -0.322352    1.05401  1.38286      1.1271   0.759653 0.339141  1.16201  0.400049  
1 1 1 48 8  26 o 2.55786  0.148161  6.62624      0.757953 5.7258       1.0332   7.67549      1.11532  2.36012  0.218888  2.73754  0.203708  
1 1 1 48 8  27 o 1.34354  0.301828  1.97731      0.791172 1.43239      1.13099  2.49951      1.10716  1.16504  0.400773  1.48823  0.372489  
1 1 1 48 8  28 o 1.12514  0.328133  1.40226      0.783598 1.34503      1.08289  1.46517      1.13532  1.12648  0.391706  1.16582  0.401491  
1 1 1 48 8  29 o 3.2089   0.139672  10.4515      0.896385 9.83357      1.27041  11.0641      1.26497  3.08593  0.20584   3.27966  0.19285   
1 1 1 48 8  30 o 0.997583 0.343561  1.05053      0.83134  0.523257     1.17155  1.58532      1.17988  0.933379 0.385887  1.18932  0.409321  
1 1 1 48 8  31 o 0.594828 0.276891  -0.57235     0.799885 -1.5126      1.10164  0.476098     1.1633   0.60707  0.293838  0.906789 0.380268  
1 1 1 48 8  32 o 1.05727  0.341595  1.29392      0.821742 2.19376      1.13826  0.314466     1.18754  1.33049  0.397527  0.872305 0.37561   
1 1 1 48 8  33 o 1.11687  0.340123  1.50863      0.827967 3.46577      1.1851   -0.357618    1.15725  1.68152  0.362721  0.745024 0.341318  
1 1 1 48 8  34 o 1.66262  0.255422  3.09666      0.84934  3.14712      1.1939   3.04495      1.20853  1.548    0.386416  1.51277  0.395149  
1 1 1 48 8  35 o 0.861782 0.338757  0.821259     0.853177 1.80973      1.19     -0.224271    1.22386  1.12559  0.40868   0.74755  0.345866  
1 1 1 48 8  36 o 0.560204 0.27083   -0.928046    0.925237 -0.910349    1.33943  -0.944197    1.27958  0.67952  0.328007  0.66206  0.319799  
1 1 1 48 8  37 o 0.922169 0.376204  1.3764       1.09773  -0.238936    1.58412  2.86862      1.52255  0.744279 0.358636  1.16542  0.453784  
1 1 1 48 8  38 o 0.543773 0.271252  -1.80539     1.2014   -0.875487    1.68922  -2.75721     1.70901  0.69406  0.341831  0.59958  0.302405  
1 1 1 48 9  0  o 13.8679  0.139537  192.561      3.86927  192.561      3.86927  192.561      3.86927  13.8723  0.0986247 ?        ?         
1 1 1 48 9  1  o 5.54981  0.070513  30.8156      0.782667 30.1739      1.13957  31.3887      1.07681  5.49015  0.103783  5.59999  0.0961438 
1 1 1 48 9  2  o 3.86144  0.0757478 14.9194      0.584991 15.091       0.851105 14.7658      0.80539  3.88236  0.109612  3.8405   0.104855  
1 1 1 48 9  3  o 4.75172  0.0728889 22.5913      0.692696 21.4619      0.948276 23.8835      1.01429  4.6302   0.102401  4.88437  0.10383   
1 1 1 48 9  4  o 5.96441  0.0692786 35.5922      0.826413 35.4393      1.13663  35.7638      1.2037   5.95025  0.0955112 5.97711  0.100693  
1 1 1 48 9  5  o 2.91687  0.090928  8.51575      0.530451 9.44836      0.760885 7.63387      0.739899 3.07129  0.123871  2.76028  0.134026  
1 1 1 48 9  6  f 8.24057  0.0742937 67.9486      1.22445  67.7653      1.74203  68.1275      1.72141  8.22685  0.105874  8.24895  0.104341  
1 1 1 48 9  7  o 3.40838  0.0790134 11.6254      0.538616 10.812       0.763141 12.4328      0.760302 3.2856   0.116134  3.52364  0.107886  
1 1 1 48 9  8  o 4.60063  0.0727075 21.1795      0.669001 21.8267      0.973103 20.5995      0.921247 4.6688   0.104213  4.5358   0.101553  
1 1 1 48 9  9  o 6.19619  0.0737268 38.4201      0.91365  38.1802      1.33267  38.633       1.25501  6.17429  0.107921  6.21138  0.101025  
1 1 1 48 9  10 o 2.1119   0.125468  4.46992      0.529952 4.86494      0.756011 4.08828      0.743086 2.20112  0.171733  2.01716  0.184191  
1 1 1 48 9  11 o 5.72798  0.0724005 32.8351      0.829416 33.3716      1.18987  32.328       1.15677  5.77225  0.103068  5.68139  0.101804  
1 1 1 48 9  12 f 3.06176  0.0962139 9.38815      0.589168 9.7824       0.818536 8.96431      0.848701 3.12339  0.131033  2.98922  0.14196   
1 1 1 48 9  13 o 5.17536  0.0792856 26.8137      0.820663 26.8523      1.11014  26.7671      1.21861  5.17671  0.107224  5.16741  0.117914  
1 1 1 48 9  14 o 6.7538   0.0840234 45.6747      1.13496  44.8262      1.5312   46.7094      1.69078  6.68695  0.114491  6.82453  0.123875  
1 1 1 48 9  15 o 2.17838  0.132971  4.76237      0.57932  4.35273      0.833521 5.14517      0.80575  2.07789  0.200569  2.26105  0.17818   
1 1 1 48 9  16 o 4.37844  0.0838515 19.2001      0.734278 19.0658      1.0264   19.3408      1.05089  4.35992  0.117708  4.39102  0.119663  
1 1 1 48 9  17 o 5.53039  0.0812055 30.634       0.898196 30.7878      1.21419  30.4481      1.33485  5.54064  0.109571  5.50822  0.121169  
1 1 1 48 9  18 o 2.88837  0.119065  8.37524      0.687811 8.84227      0.956218 7.87453      0.990088 2.9631   0.161355  2.79423  0.177167  
1 1 1 48 9  19 o 2.53501  0.127567  6.45746      0.646764 6.8779       0.908612 6.02564      0.920836 2.61087  0.174006  2.44187  0.188552  
1 1 1 48 9  20 o 2.68223  0.122315  7.22957      0.656153 6.94778      0.888842 7.56703      0.972697 2.62341  0.169406  2.73653  0.177725  
1 1 1 48 9  21 o 3.35373  0.11844   11.3044      0.794432 10.8155      1.14547  11.7575      1.10274  3.27056  0.175118  3.41281  0.161559  
1 1 1 48 9  22 o 1.65721  0.20892   2.79136      0.69245  1.93853      0.952854 3.74578      1.00802  1.33701  0.351625  1.91047  0.263814  
1 1 1 48 9  23 o 2.95562  0.12113   8.78722      0.716027 9.69273      0.992034 7.80246      1.03453  3.09722  0.160149  2.77376  0.186486  
1 1 1 48 9  24 o 3.2021   0.124889  10.3332      0.799811 11.011       1.0602   9.438        1.21845  3.29723  0.160771  3.04204  0.200269  
1 1 1 48 9  25 o 0.47899  0.232841  -1.18551     0.707485 -2.29425     0.982987 0.00608644   1.01906  0.506792 0.251756  0.803047 0.346891  
1 1 1 48 9  26 o 1.42429  0.272917  2.18074      0.749693 1.72741      1.03906  2.67299      1.08274  1.24985  0.381102  1.54935  0.356589  
1 1 1 48 9  27 o 0.954614 0.334157  0.904955     0.789175 1.50581      1.11215  0.295562     1.12002  1.18166  0.397578  0.887031 0.372607  
1 1 1 48 9  28 o 3.36606  0.132619  11.4803      0.892808 11.5754      1.26781  11.3867      1.25749  3.35758  0.188798  3.3301   0.188807  
1 1 1 48 9  29 o 2.33326  0.183771  5.59421      0.857571 5.26271      1.2107   5.92802      1.21489  2.22797  0.271705  2.37215  0.256073  
1 1 1 48 9  30 o 0.928274 0.337554  0.850234     0.812101 0.739849     1.10914  0.977801     1.19234  0.961531 0.383612  1.03242  0.401659  
1 1 1 48 9  31 o 0.951925 0.339694  0.961062     0.819026 -0.788823    1.13218  2.8821       1.18626  0.694367 0.325259  1.54201  0.385332  
1 1 1 48 9  32 o 1.296    0.318455  1.96755      0.820632 1.36221      1.16468  2.56439      1.15646  1.09056  0.403344  1.43503  0.391972  
1 1 1 48 9  33 o 2.07124  0.206082  4.58034      0.853692 4.34194      1.20626  4.81957      1.20835  1.9387   0.311099  2.05771  0.293616  
1 1 1 48 9  34 o 1.39462  0.319601  2.38447      0.872809 2.16625      1.20769  2.62307      1.26283  1.25016  0.414304  1.36898  0.420692  
1 1 1 48 9  35 f 0.872504 0.343699  0.88375      0.879987 1.23881      1.27824  0.563867     1.21328  0.980078 0.403911  0.851116 0.373085  
1 1 1 48 9  36 o 1.29406  0.370156  2.42416      1.00666  2.87333      1.51338  2.06771      1.34816  1.26266  0.460638  1.11305  0.428318  
1 1 1 48 9  37 o 1.07699  0.386233  2.0278       1.05998  1.69669      1.47381  2.3826       1.52562  0.944319 0.412588  1.05032  0.437662  
1 1 1 48 9  38 f 0.899799 0.384705  1.51599      1.23017  1.61345      1.72318  1.4147       1.75675  0.885714 0.410023  0.863899 0.40476   
1 1 1 48 10 0  o 5.41481  0.09642   29.3625      1.04344  29.3625      1.04344  29.3625      1.04344  5.41677  0.0681301 ?        ?         
1 1 1 48 10 1  o 7.83104  0.0716759 61.3588      1.12259  60.1639      1.55478  62.6602      1.62256  7.75239  0.100277  7.91139  0.102546  
1 1 1 48 10 2  o 2.33355  0.11559   5.45329      0.539468 4.46958      0.771637 6.39378      0.754498 2.11035  0.182822  2.52557  0.149372  
1 1 1 48 10 3  o 13.4266  0.103172  180.482      2.77049  180.132      3.92689  180.83       3.9093   13.4057  0.146464  13.4318  0.145524  
1 1 1 48 10 4  o 4.48328  0.0750294 20.1124      0.672756 21.0273      0.944084 19.1685      0.958933 4.58285  0.103002  4.37527  0.109586  
1 1 1 48 10 5  o 2.22555  0.113486  4.96033      0.505138 4.6956       0.745411 5.18514      0.686914 2.16327  0.172288  2.27413  0.151028  
1 1 1 48 10 6  f 9.54295  0.0779688 91.1335      1.4881   88.7371      2.10387  93.5328      2.10512  9.41304  0.111753  9.66441  0.108911  
1 1 1 48 10 7  o 4.17719  0.0731726 17.4606      0.611311 16.9478      0.883181 17.9322      0.847003 4.1138   0.107344  4.23199  0.100071  
1 1 1 48 10 8  f 4.8232   0.0750278 23.2807      0.723748 21.3967      1.06944  24.8727      0.983076 4.62154  0.115701  4.98402  0.0986228 
1 1 1 48 10 9  o 2.45547  0.107483  6.03909      0.527841 5.65962      0.752894 6.4059       0.740228 2.3748   0.158517  2.52718  0.146454  
1 1 1 48 10 10 o 6.31228  0.0754286 39.8783      0.952253 38.1655      1.4208   41.2752      1.28308  6.17174  0.115105  6.41981  0.0999315 
1 1 1 48 10 11 o 7.37448  0.0756119 54.4319      1.1152   52.4037      1.55321  56.5899      1.60218  7.23241  0.107378  7.51584  0.106587  
1 1 1 48 10 12 o 1.06384  0.247577  1.18889      0.517351 0.455349     0.715738 1.99148      0.748662 0.813394 0.312314  1.37739  0.281495  
1 1 1 48 10 13 o 9.89702  0.0868661 98.088       1.71943  99.5051      2.49208  96.8006      2.3754   9.96075  0.125095  9.8254   0.12088   
1 1 1 48 10 14 o 5.95804  0.0800021 35.5436      0.953311 33.7627      1.26859  37.8541      1.44493  5.80367  0.109292  6.14411  0.117587  
1 1 1 48 10 15 o 10.1557  0.0919398 103.322      1.86742  102.597      2.70872  103.979      2.57799  10.11    0.133963  10.1799  0.126621  
1 1 1 48 10 16 o 1.53219  0.185186  2.36628      0.567477 2.24816      0.807784 2.48138      0.797385 1.46163  0.286545  1.56351  0.254999  
1 1 1 48 10 17 o 0.879798 0.292103  0.754563     0.60033  1.47176      0.825557 -0.0502769   0.874549 1.17994  0.334478  0.747483 0.322103  
1 1 1 48 10 18 o 4.08445  0.0951412 16.7262      0.777199 17.3023      1.0992   16.1502      1.09905  4.14922  0.132458  4.00798  0.137108  
1 1 1 48 10 19 o 4.87166  0.0878103 23.7902      0.855564 23.6726      1.15207  23.9348      1.27753  4.85471  0.118655  4.87919  0.130916  
1 1 1 48 10 20 o 1.02535  0.297949  1.10759      0.647207 0.51682      0.936479 1.64775      0.895476 0.897718 0.354265  1.23891  0.347444  
1 1 1 48 10 21 o 3.57256  0.111964  12.8204      0.799995 13.5945      1.16168  12.1221      1.10331  3.6705   0.158245  3.46586  0.159168  
1 1 1 48 10 22 o 1.47882  0.222859  2.22987      0.659136 2.1779       0.870001 2.29988      1.00988  1.42197  0.314302  1.45368  0.350849  
1 1 1 48 10 23 o 6.55107  0.0866471 43.058       1.13526  44.2604      1.59413  41.8207      1.61713  6.63175  0.120189  6.44456  0.125464  
1 1 1 48 10 24 o 1.2654   0.306468  1.74106      0.768489 2.2101       1.01804  1.11976      1.1717   1.41438  0.359107  1.09974  0.404913  
1 1 1 48 10 25 o 2.09544  0.18063   4.47318      0.757001 4.14679      1.02919  4.85788      1.11736  1.99853  0.257485  2.16286  0.258307  
1 1 1 48 10 26 o 2.8441   0.142323  8.19051      0.809564 7.57846      1.12013  8.85985      1.17138  2.71698  0.206135  2.94024  0.199198  
1 1 1 48 10 27 o 2.69157  0.150379  7.36074      0.809514 5.85247      1.10258  9.12457      1.19234  2.3743   0.23219   2.97875  0.20014   
1 1 1 48 10 28 o 4.0008   0.120061  16.1821      0.960681 16.7581      1.35458  15.5991      1.36267  4.05073  0.167203  3.90451  0.174499  
1 1 1 48 10 29 o 3.89195  0.123584  15.3496      0.961967 15.0961      1.3932   15.5806      1.32986  3.83053  0.181856  3.89808  0.170579  
1 1 1 48 10 30 o 2.10032  0.200915  4.59361      0.843973 4.39386      1.15833  4.81965      1.23221  2.01314  0.287692  2.10562  0.2926    
1 1 1 48 10 31 o 0.969228 0.344931  1.01623      0.843966 1.55766      1.17714  0.443535     1.21066  1.15045  0.407572  0.904115 0.383938  
1 1 1 48 10 32 o 1.58465  0.25999   2.7463       0.823987 2.42608      1.16254  3.06958      1.16807  1.38408  0.398398  1.57946  0.374894  
1 1 1 48 10 33 o 1.01012  0.342466  1.23248      0.825189 0.867641     1.13743  1.63787      1.19898  0.939517 0.383059  1.12537  0.410061  
1 1 1 48 10 34 o 1.94277  0.228653  4.15899      0.888437 4.37782      1.25517  3.93928      1.25771  1.8693   0.348707  1.74589  0.371318  
1 1 1 48 10 35 o 1.70226  0.272509  3.44823      0.927762 4.28638      1.33034  2.65462      1.29451  1.74283  0.391286  1.29504  0.428937  
1 1 1 48 10 36 o 0.915724 0.365502  1.14874      1.0073   0.76661      1.61032  1.39437      1.29108  0.888552 0.405317  0.968751 0.403078  
1 1 1 48 10 37 o 0.734516 0.334404  0.455597     1.08465  -1.35738     1.47735  2.57556      1.59754  0.628828 0.311777  1.04661  0.442572  
1 1 1 48 10 38 o 1.15389  0.410637  2.819        1.19612  1.17623      1.73492  4.30723      1.65131  0.803143 0.384134  1.24949  0.475939  
1 1 1 48 11 0  o 0.73172  0.37537   0.794985     0.69075  0.794985     0.69075  0.794985     0.69075  0.744653 0.321196  ?        ?         
1 1 1 48 11 1  o 8.80107  0.0739658 77.5067      1.30196  77.6948      1.82275  77.3108      1.86031  8.80912  0.103458  8.78707  0.105855  
1 1 1 48 11 2  f 8.38612  0.0759566 70.3731      1.27396  69.2177      1.80275  71.5258      1.80056  8.31413  0.108415  8.45181  0.106519  
1 1 1 48 11 3  o 8.81464  0.0802453 77.7558      1.41467  79.078       2.08513  76.628       1.92565  8.88546  0.117334  8.74758  0.110068  
1 1 1 48 11 4  o 5.1795   0.0730261 26.8443      0.756478 27.8786      1.08447  25.8641      1.05575  5.27668  0.10276   5.0824   0.103864  
1 1 1 48 11 5  o 6.92     0.0707596 47.916       0.979312 47.0152      1.40259  48.7729      1.36797  6.85232  0.102344  6.97961  0.0979977 
1 1 1 48 11 6  o 5.68664  0.0700254 32.3584      0.796419 31.1633      1.15363  33.4466      1.10083  5.57854  0.103399  5.77991  0.0952293 
1 1 1 48 11 7  o 3.34588  0.0808619 11.2049      0.541109 11.1329      0.775079 11.2734      0.755774 3.33352  0.116255  3.35469  0.112644  
1 1 1 48 11 8  o 2.66662  0.0936071 7.1197       0.499229 7.081        0.69216  7.16166      0.720739 2.65781  0.130213  2.67267  0.134835  
1 1 1 48 11 9  o 5.8916   0.0724198 34.738       0.853337 34.3508      1.2401   35.0862      1.17605  5.85605  0.105882  5.91899  0.0993452 
1 1 1 48 11 10 o 3.02789  0.0912917 9.18016      0.552843 8.67776      0.797055 9.64594      0.76746  2.94151  0.135484  3.10202  0.123704  
1 1 1 48 11 11 o 3.53652  0.0844928 12.5222      0.597621 12.2001      0.859845 12.8231      0.831211 3.48833  0.123246  3.5768   0.116195  
1 1 1 48 11 12 o 2.73869  0.103312  7.51511      0.565882 7.92807      0.822254 7.14353      0.779975 2.81016  0.1463    2.6675   0.146199  
1 1 1 48 11 13 o 2.83925  0.10505   8.07893      0.596528 8.19216      0.828487 7.95704      0.859611 2.85628  0.145029  2.81436  0.152719  
1 1 1 48 11 14 o 1.72637  0.164555  2.99714      0.568163 2.63947      0.79313  3.37416      0.814297 1.6146   0.245611  1.82753  0.222786  
1 1 1 48 11 15 o 5.61562  0.084645  31.5861      0.950669 31.4657      1.29623  31.7262      1.39849  5.60103  0.115713  5.62287  0.124357  
1 1 1 48 11 16 o 1.09609  0.267812  1.27119      0.582896 1.67252      0.808027 0.835727     0.841683 1.25348  0.320928  0.966372 0.344409  
1 1 1 48 11 17 o 0.917464 0.288697  0.85479      0.59001  0.911339     0.824358 0.7954       0.844817 0.984695 0.341826  0.953375 0.344521  
1 1 1 48 11 18 o 0.726106 0.284474  0.332571     0.600256 0.263999     0.847262 0.401673     0.850528 0.805897 0.329929  0.841995 0.335925  
1 1 1 48 11 19 o 3.00714  0.116183  9.08317      0.698758 10.149       1.01284  8.11517      0.965263 3.17225  0.15964   2.83501  0.17024   
1 1 1 48 11 20 o 0.724253 0.291128  0.27048      0.645185 0.948291     0.93333  -0.349843    0.892873 1.01517  0.362587  0.694169 0.310964  
1 1 1 48 11 21 o 3.02987  0.122366  9.23154      0.741505 9.83276      0.986863 8.45203      1.1237   3.12107  0.158097  2.88673  0.194633  
1 1 1 48 11 22 o 3.68905  0.105531  13.6699      0.778617 14.2168      1.05464  13.0146      1.15437  3.75556  0.140411  3.58883  0.160828  
1 1 1 48 11 23 o 2.80489  0.131881  7.93539      0.739827 8.2355       0.99587  7.56578      1.10519  2.84839  0.174813  2.7231   0.202929  
1 1 1 48 11 24 o 3.73523  0.114134  14.0493      0.852634 14.6008      1.16058  13.4026      1.25678  3.79735  0.152814  3.63186  0.173021  
1 1 1 48 11 25 o 1.23288  0.294718  1.65775      0.717905 2.26726      0.993076 0.990541     1.03902  1.42808  0.349956  1.0336   0.381228  
1 1 1 48 11 26 o 2.26195  0.17348   5.21637      0.784805 4.66901      1.07772  5.83431      1.1451   2.11645  0.254607  2.3707   0.241512  
1 1 1 48 11 27 o 1.72976  0.221739  3.10186      0.76711  3.56411      1.05569  2.58476      1.11658  1.83215  0.288101  1.50405  0.37263   
1 1 1 48 11 28 o 1.27421  0.31991   1.81587      0.814759 2.11567      1.13407  1.49607      1.17132  1.35451  0.394663  1.17464  0.407489  
1 1 1 48 11 29 o 0.592813 0.275192  -0.570194    0.783176 -1.13437     1.08538  0.0426077    1.13119  0.64672  0.307795  0.830355 0.36214   
1 1 1 48 11 30 o 1.21231  0.335063  1.70788      0.838957 1.93303      1.22399  1.50837      1.15219  1.26435  0.417091  1.14584  0.403502  
1 1 1 48 11 31 o 1.28691  0.328682  1.94588      0.849092 2.35731      1.2007   1.53432      1.20089  1.37264  0.407912  1.14225  0.410958  
1 1 1 48 11 32 o 0.661785 0.296703  -0.143619    0.814349 0.179302     1.12735  -0.495979    1.17762  0.820014 0.35954   0.733412 0.339303  
1 1 1 48 11 33 o 0.823253 0.331203  0.617001     0.836029 0.799714     1.13188  0.397655     1.24017  0.917711 0.379347  0.862682 0.377683  
1 1 1 48 11 34 o 1.68601  0.256101  3.23998      0.863577 2.65187      1.22749  3.81633      1.21516  1.35813  0.41424   1.70703  0.366485  
1 1 1 48 11 35 o 1.17517  0.362639  1.97153      0.937038 1.82735      1.3002   2.12733      1.35164  1.07481  0.419169  1.13625  0.431239  
1 1 1 48 11 36 o 0.718253 0.325765  0.255143     1.00966  1.41224      1.58274  -0.538847    1.31108  0.935575 0.41669   0.683864 0.328725  
1 1 1 48 11 37 o 0.605794 0.294046  -0.69373     1.12103  -0.660121    1.60412  -0.725813    1.56728  0.693524 0.340097  0.683853 0.335615  
1 1 1 48 11 38 o 0.490113 0.246855  -1.85952     1.10207  -2.53622     1.54136  -1.15173     1.57636  0.541658 0.275263  0.609205 0.304602  
1 1 1 48 12 0  o 7.91279  0.101933  62.683       1.61254  62.683       1.61254  62.683       1.61254  7.91502  0.0720436 ?        ?         
1 1 1 48 12 1  o 5.04927  0.070346  25.5106      0.710392 23.8775      0.953313 27.5499      1.06528  4.8836   0.0976035 5.24547  0.101543  
1 1 1 48 12 2  o 3.83246  0.0787552 14.6991      0.603653 13.8745      0.842386 15.5694      0.865469 3.72189  0.113166  3.94285  0.109752  
1 1 1 48 12 3  o 2.16898  0.113484  4.71214      0.492289 3.92342      0.683139 5.56422      0.710044 1.97702  0.17277   2.35547  0.150723  
1 1 1 48 12 4  o 3.32356  0.0809213 11.0555      0.537894 10.999       0.73247  11.1216      0.79246  3.31384  0.110517  3.33183  0.118923  
1 1 1 48 12 5  o 6.29939  0.0689523 39.7079      0.868715 39.9989      1.25719  39.4419      1.20178  6.32024  0.0994578 6.27638  0.095738  
1 1 1 48 12 6  o 6.61218  0.0705505 43.7513      0.932984 42.7718      1.32356  44.7187      1.31536  6.53533  0.101262  6.68267  0.0984158 
1 1 1 48 12 7  o 8.49787  0.0754311 72.2731      1.28201  71.0775      1.82105  73.4478      1.80511  8.4236   0.108092  8.56326  0.105399  
1 1 1 48 12 8  o 1.3038   0.179188  1.7081       0.467252 1.74673      0.649418 1.66663      0.67279  1.29245  0.260374  1.2595   0.274698  
1 1 1 48 12 9  o 0.514928 0.228893  -0.18189     0.475488 0.0462293    0.660995 -0.426525    0.684503 0.675705 0.285153  0.584443 0.265966  
1 1 1 48 12 10 o 2.15835  0.117652  4.66948      0.507869 4.89029      0.740128 4.47299      0.698176 2.20607  0.167748  2.10999  0.165445  
1 1 1 48 12 11 o 0.62229  0.251374  0.170448     0.484356 0.391605     0.693831 -0.0397768   0.676466 0.785618 0.306242  0.661306 0.28409   
1 1 1 48 12 12 o 4.28878  0.0831879 18.4186      0.713548 19.4911      1.0082   17.3422      1.01002  4.40923  0.114328  4.1584   0.121444  
1 1 1 48 12 13 o 4.02469  0.0864828 16.2231      0.696133 16.0013      1.01656  16.4189      0.955257 3.99354  0.127276  4.04625  0.118042  
1 1 1 48 12 14 o 3.04796  0.104042  9.3122       0.634229 10.1628      0.891079 8.43883      0.902909 3.1811   0.140058  2.89728  0.15582   
1 1 1 48 12 15 f 5.71274  0.0822971 32.6888      0.940283 32.2029      1.2777   33.2628      1.38876  5.66607  0.11275   5.75728  0.120609  
1 1 1 48 12 16 o 1.65973  0.176235  2.77792      0.585007 2.43767      0.836767 3.10324      0.818197 1.5213   0.285542  1.74878  0.233933  
1 1 1 48 12 17 o 1.842    0.163491  3.41952      0.602301 3.68529      0.853647 3.15606      0.849931 1.90585  0.223954  1.76168  0.241228  
1 1 1 48 12 18 o 1.16033  0.269739  1.43062      0.614647 2.37002      0.916604 0.663065     0.828536 1.48869  0.317266  0.906755 0.339227  
1 1 1 48 12 19 o 2.83242  0.124933  8.06694      0.707728 9.12164      1.0646   7.23172      0.947378 3.00344  0.177231  2.67427  0.177128  
1 1 1 48 12 20 o 1.96485  0.166145  3.8987       0.652899 3.51772      0.900139 4.32166      0.94843  1.85595  0.2425    2.05923  0.230287  
1 1 1 48 12 21 o 3.24884  0.115281  10.6105      0.749061 10.6326      0.996488 10.5817      1.13579  3.24566  0.153511  3.23327  0.175642  
1 1 1 48 12 22 o 2.85545  0.12696   8.21065      0.725055 8.16368      0.949244 8.27644      1.12337  2.83995  0.167123  2.85284  0.196887  
1 1 1 48 12 23 o 0.793421 0.31198   0.420853     0.723833 0.453757     0.950805 0.375497     1.1163   0.878282 0.353263  0.912848 0.376995  
1 1 1 48 12 24 o 0.72407  0.299764  0.197876     0.708499 1.0477       0.934698 -0.949823    1.08623  1.03097  0.363391  0.67964  0.318402  
1 1 1 48 12 25 o 1.10171  0.314787  1.32354      0.728414 0.775092     1.01078  1.9161       1.05064  0.968172 0.371319  1.30873  0.379399  
1 1 1 48 12 26 o 0.79414  0.314942  0.423309     0.743502 0.58752      0.997118 0.21768      1.11581  0.913989 0.364013  0.869056 0.3688    
1 1 1 48 12 27 o 1.61933  0.237109  2.73367      0.767914 2.02398      1.04522  3.56603      1.13195  1.33088  0.376063  1.79471  0.327506  
1 1 1 48 12 28 f 2.45118  0.16849   6.15136      0.825998 6.48981      1.11997  5.74772      1.22311  2.49546  0.224401  2.33124  0.262329  
1 1 1 48 12 29 o 0.597068 0.277105  -0.562599    0.79353  -0.918191    1.12473  -0.21016     1.11973  0.684141 0.321134  0.780734 0.349026  
1 1 1 48 12 30 o 1.11384  0.337168  1.4413       0.815268 1.65148      1.15193  1.23037      1.154    1.17941  0.404587  1.06846  0.400224  
1 1 1 48 12 31 o 1.03332  0.339479  1.23428      0.810855 2.28452      1.11299  0.0462916    1.18373  1.3553   0.389716  0.822462 0.363917  
1 1 1 48 12 32 o 1.05335  0.358829  1.34245      0.905925 -0.0366956   1.24473  2.89581      1.32101  0.809738 0.364765  1.46856  0.425325  
1 1 1 48 12 33 f 0.912837 0.342391  0.947474     0.84514  1.96916      1.15377  -0.235389    1.24145  1.20279  0.40495   0.766877 0.352244  
1 1 1 48 12 34 o 0.772657 0.330094  0.435073     0.904482 0.994483     1.28759  -0.10987     1.27083  0.937626 0.396948  0.76658  0.353817  
1 1 1 48 12 35 o 0.608305 0.287128  -0.508101    0.925969 0.0488059    1.42907  -0.911121    1.21569  0.792642 0.369409  0.647773 0.312634  
1 1 1 48 12 36 o 0.569119 0.277034  -0.87908     1.00757  -1.1351      1.41272  -0.61402     1.43745  0.642787 0.31648   0.686564 0.333162  
1 1 1 48 12 37 o 1.06193  0.400085  2.15465      1.15647  1.30252      1.63769  3.00223      1.63331  0.866975 0.400725  1.10563  0.456271  
1 1 1 48 13 0  o 0.929718 0.372528  1.20666      0.669544 1.20666      0.669544 1.20666      0.669544 1.00164  0.273798  ?        ?         
1 1 1 48 13 1  o 3.98831  0.0754513 15.9188      0.601846 15.6348      0.81128  16.2664      0.897515 3.95128  0.102661  4.0298   0.11136   
1 1 1 48 13 2  o 1.89369  0.134368  3.5949       0.508903 3.67584      0.697191 3.5026       0.744536 1.91293  0.182232  1.86647  0.19945   
1 1 1 48 13 3  o 4.70561  0.0700241 22.1577      0.659012 21.9717      0.964657 22.3206      0.902421 4.68397  0.102974  4.72149  0.0955653 
1 1 1 48 13 4  o 5.19205  0.0702777 26.9761      0.72977  26.9751      1.03207  26.977       1.03203  5.19015  0.099426  5.19033  0.0994187 
1 1 1 48 13 5  f 10.4868  0.0850933 110.088      1.78471  110.571      2.54411  109.619      2.50429  10.5041  0.1211    10.4591  0.119719  
1 1 1 48 13 6  o 8.98449  0.079193  80.796       1.42302  79.2806      2.04411  82.2211      1.98221  8.89519  0.1149    9.05949  0.1094    
1 1 1 48 13 7  o 6.61277  0.0707353 43.7624      0.935512 43.9303      1.38433  43.6212      1.26918  6.62237  0.104519  6.59989  0.0961518 
1 1 1 48 13 8  o 0.630153 0.251302  0.204557     0.475807 0.800941     0.662391 -0.431204    0.68391  0.915292 0.306831  0.583212 0.265525  
1 1 1 48 13 9  o 8.18954  0.0760145 67.1355      1.24505  66.0822      1.79768  68.1065      1.72603  8.12044  0.110689  8.24481  0.104673  
1 1 1 48 13 10 o 6.43318  0.0747801 41.4282      0.962147 41.3399      1.41696  41.5038      1.31062  6.42242  0.110313  6.43621  0.101816  
1 1 1 48 13 11 o 1.14742  0.230801  1.37674      0.511033 1.56639      0.744488 1.20776      0.702736 1.21687  0.305979  1.07635  0.309725  
1 1 1 48 13 12 o 2.98064  0.0970463 8.90137      0.57852  8.84149      0.828895 8.95825      0.807814 2.96757  0.139659  2.98747  0.1352    
1 1 1 48 13 13 o 8.00591  0.0768536 64.1768      1.23057  60.8659      1.68429  67.9677      1.80226  7.79185  0.10808   8.23363  0.109445  
1 1 1 48 13 14 o 6.27153  0.0875873 39.4034      1.09861  36.6381      1.46101  43.0015      1.66654  6.04252  0.120894  6.54504  0.127314  
1 1 1 48 13 15 o 2.08003  0.146048  4.35074      0.607568 4.85556      0.874264 3.87921      0.844949 2.19219  0.199404  1.95771  0.2158    
1 1 1 48 13 16 o 3.99084  0.0925999 15.9659      0.739103 16.1401      1.02581  15.7778      1.06584  4.00816  0.127965  3.96195  0.13451   
1 1 1 48 13 17 o 1.95065  0.161069  3.83544      0.628379 3.69416      0.916092 3.96099      0.863558 1.90509  0.240433  1.9757   0.218544  
1 1 1 48 13 18 o 1.70251  0.18306   2.93138      0.623324 3.20599      0.922914 2.70105      0.845226 1.7701   0.260695  1.62482  0.260098  
1 1 1 48 13 19 o 2.56597  0.134488  6.62701      0.690186 7.16243      0.999603 6.1392       0.954124 2.65931  0.187944  2.46105  0.193845  
1 1 1 48 13 20 o 3.04368  0.121702  9.31587      0.740844 9.31159      1.00305  9.32101      1.09893  3.0358   0.165203  3.0342   0.18109   
1 1 1 48 13 21 o 4.56903  0.0976781 20.956       0.892588 23.1992      1.26243  18.7138      1.26219  4.79975  0.13151   4.30724  0.146519  
1 1 1 48 13 22 o 1.24574  0.276976  1.6702       0.671994 1.05095      0.885532 2.51098      1.03184  1.02886  0.354558  1.51259  0.34809   
1 1 1 48 13 23 o 0.902704 0.315342  0.784437     0.702501 0.609217     0.938752 1.00745      1.05907  0.911724 0.356048  1.04647  0.384993  
1 1 1 48 13 24 o 3.5055   0.116033  12.3856      0.813508 12.5402      1.10558  12.203       1.20133  3.51579  0.15723   3.46282  0.17346   
1 1 1 48 13 25 o 1.42123  0.273535  2.17798      0.74977  1.05236      1.019    3.50673      1.10714  1.04295  0.378229  1.79158  0.320569  
1 1 1 48 13 26 o 1.351    0.287857  2.00173      0.754696 1.77299      1.01856  2.28017      1.12379  1.25304  0.376379  1.40921  0.387051  
1 1 1 48 13 27 o 0.966527 0.332405  0.960803     0.777996 0.75558      1.05101  1.20956      1.15714  0.96299  0.376599  1.0978   0.402564  
1 1 1 48 13 28 o 1.47675  0.280915  2.39388      0.79977  2.87644      1.0807   1.80959      1.18916  1.58729  0.349838  1.25284  0.411113  
1 1 1 48 13 29 o 1.14577  0.333614  1.50839      0.810624 2.07416      1.12803  0.904223     1.16569  1.31567  0.396272  1.0022   0.395327  
1 1 1 48 13 30 o 1.12108  0.338352  1.47148      0.821822 1.03638      1.15811  1.91283      1.1664   1.01714  0.395824  1.24824  0.407159  
1 1 1 48 13 31 o 1.12697  0.337058  1.5155       0.818033 1.56116      1.11729  1.46274      1.20098  1.13303  0.397507  1.11058  0.409815  
1 1 1 48 13 32 o 0.83779  0.33602   0.636954     0.856796 1.81536      1.17917  -0.681048    1.24706  1.17171  0.408624  0.720242 0.338092  
1 1 1 48 13 33 o 2.70943  0.165621  7.73277      0.897477 7.17545      1.25611  8.314        1.28276  2.53121  0.248124  2.74091  0.234002  
1 1 1 48 13 34 o 1.02486  0.362782  1.45403      0.932465 -0.505145    1.32878  3.35491      1.30886  0.724899 0.342894  1.48907  0.420848  
1 1 1 48 13 35 o 1.24505  0.359413  2.2265       0.944818 0.356787     1.42072  3.70909      1.26512  0.820937 0.376968  1.57007  0.401324  
1 1 1 48 13 36 o 0.892258 0.368994  1.31863      1.07172  0.373046     1.46522  2.40658      1.57165  0.768421 0.362257  1.03185  0.437781  
1 1 1 48 13 37 o 0.713858 0.330115  0.41344      1.11316  1.03665      1.55893  -0.234874    1.59002  0.810008 0.379829  0.702072 0.342875  
1 1 1 48 14 0  o 5.49727  0.0932064 30.2648      1.0241   30.2648      1.0241   30.2648      1.0241   5.49931  0.0658611 ?        ?         
1 1 1 48 14 1  o 2.87209  0.0930869 8.25915      0.534708 8.15963      0.730071 8.37429      0.785332 2.85314  0.127942  2.88999  0.135871  
1 1 1 48 14 2  o 2.71705  0.0969313 7.39241      0.526735 6.6233       0.737327 8.19402      0.752744 2.56973  0.143464  2.85892  0.131648  
1 1 1 48 14 3  o 4.30566  0.073204  18.5532      0.630383 18.3895      0.939463 18.6873      0.850198 4.28449  0.109635  4.3198   0.0984072 
1 1 1 48 14 4  o 4.51507  0.072071  20.4016      0.65081  20.427       0.903769 20.3743      0.937952 4.51621  0.100058  4.51012  0.103983  
1 1 1 48 14 5  o 5.0328   0.0722588 25.3494      0.727329 25.9459      1.05001  24.7992      1.00844  5.08951  0.103155  4.97592  0.101332  
1 1 1 48 14 6  o 1.0212   0.223586  1.09229      0.444129 1.64974      0.587801 0.350641     0.677996 1.25791  0.242289  0.767883 0.30194   
1 1 1 48 14 7  o 10.5894  0.0886751 112.283      1.87803  107.262      2.58927  117.857      2.72804  10.3431  0.125169  10.8417  0.125812  
1 1 1 48 14 8  o 3.35544  0.0825371 11.2725      0.553897 10.7042      0.76813  11.8881      0.799467 3.26773  0.117533  3.4438   0.116073  
1 1 1 48 14 9  o 6.10492  0.0733831 37.3073      0.895996 38.1595      1.29537  36.5256      1.24066  6.17101  0.104956  6.03771  0.102743  
1 1 1 48 14 10 o 3.66671  0.0845229 13.4637      0.619842 11.9669      0.898565 14.8226      0.856151 3.45358  0.130092  3.84533  0.111324  
1 1 1 48 14 11 o 5.8584   0.0737667 34.3592      0.86431  33.7184      1.25267  34.9414      1.19407  5.79986  0.107991  5.90497  0.101108  
1 1 1 48 14 12 o 6.42789  0.0760668 41.3693      0.977898 40.1874      1.42522  42.4208      1.34425  6.33076  0.112563  6.50569  0.103313  
1 1 1 48 14 13 o 3.6464   0.0826839 13.3174      0.602997 13.3509      0.87841  13.2876      0.829247 3.64773  0.120405  3.63972  0.113916  
1 1 1 48 14 14 o 4.47318  0.0846055 20.0461      0.756911 21.5707      1.06117  18.4671      1.07994  4.63667  0.114433  4.28866  0.125906  
1 1 1 48 14 15 o 3.49829  0.0981334 12.2712      0.686599 10.9031      0.987102 13.5535      0.955656 3.29168  0.149939  3.67285  0.130097  
1 1 1 48 14 16 o 2.85424  0.117367  8.18047      0.669986 7.39209      0.936844 9.00577      0.958535 2.70669  0.173061  2.98944  0.16032   
1 1 1 48 14 17 o 4.19508  0.0915469 17.6467      0.768093 18.6819      1.11064  16.6977      1.06339  4.31047  0.128831  4.07485  0.130482  
1 1 1 48 14 18 o 6.97506  0.0947138 48.8092      1.32127  51.593       1.79544  45.5208      1.9514   7.16243  0.125337  6.72124  0.145167  
1 1 1 48 14 19 o 3.15272  0.110686  9.98364      0.697927 9.30998      0.983225 10.6678      0.990856 3.03675  0.161888  3.25243  0.152326  
1 1 1 48 14 20 o 3.2658   0.116748  10.7231      0.762547 12.3191      1.11059  9.29955      1.04887  3.49234  0.159003  3.03152  0.172993  
1 1 1 48 14 21 o 1.35263  0.255939  1.9394       0.667191 2.14771      0.864606 1.63275      1.04901  1.40896  0.314829  1.23409  0.384276  
1 1 1 48 14 22 o 0.731324 0.294728  0.284448     0.663649 1.01449      0.92456  -0.49149     0.953177 1.02358  0.361351  0.691799 0.314562  
1 1 1 48 14 23 o 2.49575  0.145008  6.30333      0.723806 6.4815       0.956769 6.06492      1.10677  2.52005  0.189832  2.42689  0.228022  
1 1 1 48 14 24 o 2.44976  0.150783  6.08428      0.738763 6.97233      1.01211  5.0716       1.0808   2.61067  0.193842  2.21199  0.244305  
1 1 1 48 14 25 o 2.99202  0.134423  9.06147      0.804396 8.99712      1.1118   9.13215      1.16526  2.96449  0.187519  2.98373  0.195269  
1 1 1 48 14 26 o 1.40394  0.279108  2.14796      0.755869 2.1663       1.01979  2.12561      1.126    1.37916  0.364255  1.35964  0.392323  
1 1 1 48 14 27 o 2.09648  0.186421  4.51859      0.781657 5.86021      1.09175  3.10756      1.11964  2.37059  0.23027   1.65794  0.348676  
1 1 1 48 14 28 o 1.54751  0.249991  2.53044      0.773727 2.35475      1.06077  2.73017      1.13104  1.42244  0.369581  1.53129  0.372378  
1 1 1 48 14 29 o 1.08844  0.345254  1.36367      0.842272 2.55849      1.14597  -0.0401063   1.24214  1.45287  0.387237  0.835428 0.37082   
1 1 1 48 14 30 o 0.996799 0.337622  1.12034      0.802006 1.68335      1.10781  0.500272     1.16259  1.17936  0.396803  0.900293 0.378967  
1 1 1 48 14 31 o 1.0347   0.345211  1.27172      0.838468 2.42309      1.1562   -0.00548581  1.21774  1.37238  0.398051  0.812497 0.363583  
1 1 1 48 14 32 o 1.5568   0.297893  2.87186      0.894435 3.7211       1.18454  1.74535      1.36426  1.72232  0.355983  1.13831  0.432888  
1 1 1 48 14 33 o 0.797955 0.333384  0.524347     0.888861 2.4829       1.24015  -1.54467     1.27464  1.30644  0.419398  0.629621 0.307395  
1 1 1 48 14 34 o 0.637958 0.296153  -0.260501    0.907064 -0.4314      1.33568  -0.114229    1.2357   0.726419 0.343694  0.741247 0.344703  
1 1 1 48 14 35 o 0.706249 0.314501  0.287311     0.901303 1.35858      1.35611  -0.560311    1.20628  0.935211 0.402013  0.662968 0.317861  
1 1 1 48 14 36 o 0.798023 0.355643  0.856485     1.15453  0.120554     1.58857  1.68039      1.68083  0.748775 0.360394  0.907065 0.413851  
1 1 1 48 14 37 o 0.605818 0.29456   -0.324893    1.13338  -0.872523    1.49339  0.419        1.74054  0.615204 0.306256  0.714209 0.351529  
1 1 1 48 15 0  o 9.37649  0.112897  88.0423      2.11646  88.0423      2.11646  88.0423      2.11646  9.37977  0.0797893 ?        ?         
1 1 1 48 15 1  o 5.14154  0.0708658 26.4557      0.728718 26.7584      1.03263  26.1554      1.0285   5.16886  0.0998898 5.11023  0.100632  
1 1 1 48 15 2  o 3.1275   0.087611  9.7929       0.548007 10.7534      0.781637 8.86432      0.768528 3.27559  0.119312  2.97342  0.129233  
1 1 1 48 15 3  o 1.78181  0.130162  3.18331      0.463848 3.57588      0.636577 2.73894      0.677274 1.88673  0.168698  1.64945  0.205303  
1 1 1 48 15 4  o 5.04577  0.0705919 25.4803      0.712382 26.5838      1.02315  24.442       0.992472 5.15181  0.0992998 4.93982  0.100456  
1 1 1 48 15 5  o 2.78059  0.0879519 7.74167      0.489116 8.23093      0.683288 7.2275       0.700462 2.86553  0.119225  2.68456  0.130461  
1 1 1 48 15 6  f 7.23487  0.0747169 52.3942      1.08114  50.2439      1.53091  54.5336      1.52701  7.08105  0.108099  7.37777  0.103487  
1 1 1 48 15 7  o 5.94348  0.0688565 35.3553      0.818495 35.4585      1.13458  35.2433      1.18192  5.94979  0.0953465 5.93126  0.0996349 
1 1 1 48 15 8  o 4.01944  0.0713897 16.1715      0.573893 15.6227      0.782412 16.8106      0.844335 3.94888  0.0990675 4.09594  0.10307   
1 1 1 48 15 9  o 6.15066  0.07691   37.8752      0.946095 36.2996      1.26988  39.8408      1.41836  6.01827  0.105502  6.30405  0.112496  
1 1 1 48 15 10 o 0.648047 0.253808  0.25558      0.477739 0.491606     0.595683 -0.169915    0.799801 0.781516 0.288574  0.691646 0.30305   
1 1 1 48 15 11 o 8.81111  0.0833922 77.7524      1.46956  76.704       2.20055  78.5964      1.97434  8.74322  0.125843  8.85365  0.111499  
1 1 1 48 15 12 o 4.64545  0.0742496 21.6079      0.689846 21.54        0.98958  21.6721      0.962177 4.635    0.106751  4.64956  0.10347   
1 1 1 48 15 13 o 1.89458  0.135379  3.6061       0.512971 4.90618      0.777398 2.60349      0.682694 2.20636  0.176172  1.60438  0.212759  
1 1 1 48 15 14 o 1.11784  0.252574  1.32103      0.55142  0.913884     0.816866 1.66188      0.747405 0.984009 0.340396  1.24904  0.302065  
1 1 1 48 15 15 o 0.504175 0.23456   -0.507497    0.57298  0.0574376    0.852744 -0.972492    0.77365  0.759953 0.322449  0.543102 0.258982  
1 1 1 48 15 16 o 3.37287  0.100999  11.4131      0.681311 10.4567      0.939075 12.476       0.989976 3.22271  0.145697  3.52098  0.140583  
1 1 1 48 15 17 o 0.846166 0.290187  0.681107     0.592561 0.650887     0.837038 0.711468     0.83898  0.903899 0.340408  0.922317 0.34209   
1 1 1 48 15 18 o 4.10564  0.0933311 16.9089      0.766368 16.598       1.0949   17.2075      1.07305  4.06075  0.134815  4.13563  0.129732  
1 1 1 48 15 19 o 1.21758  0.268609  1.581        0.636551 1.51358      0.872317 1.6578       0.930981 1.18915  0.346021  1.2408   0.356312  
1 1 1 48 15 20 o 1.17721  0.291358  1.48845      0.683161 1.30029      0.899062 1.74553      1.05088  1.11688  0.35695   1.27296  0.382292  
1 1 1 48 15 21 o 3.12633  0.116122  9.83957      0.726068 10.3728      1.02624  9.30514      1.02739  3.2004   0.16033   3.02897  0.169595  
1 1 1 48 15 22 o 1.48057  0.22596   2.25185      0.669097 2.08987      0.902315 2.44971      0.997292 1.37968  0.33079   1.49227  0.341397  
1 1 1 48 15 23 o 2.07116  0.173363  4.3653       0.718128 4.7291       0.982311 3.94766      1.05249  2.14184  0.229315  1.94553  0.27049   
1 1 1 48 15 24 o 2.77126  0.146227  7.78437      0.810466 8.45374      1.08804  6.95004      1.21474  2.87468  0.189246  2.59099  0.234416  
1 1 1 48 15 25 o 3.50666  0.119168  12.4239      0.835761 11.5744      1.1245   13.4722      1.2492   3.3682   0.166929  3.63164  0.171989  
1 1 1 48 15 26 o 1.25711  0.305191  1.75479      0.760698 1.49518      1.03032  2.06589      1.12786  1.16409  0.382673  1.34044  0.394552  
1 1 1 48 15 27 o 0.840892 0.321798  0.597029     0.757799 0.692387     1.0475   0.492326     1.09763  0.940382 0.373545  0.908356 0.37431   
1 1 1 48 15 28 o 1.87398  0.222248  3.6869       0.832976 4.12872      1.1151   3.12911      1.25292  1.95373  0.285376  1.6214   0.390459  
1 1 1 48 15 29 o 2.72425  0.156006  7.63891      0.850002 8.15033      1.17263  7.07267      1.23388  2.78179  0.210768  2.57226  0.239844  
1 1 1 48 15 30 f 1.05368  0.335282  1.29793      0.79386  0.878948     1.11054  1.73576      1.13525  0.964749 0.38418   1.18733  0.401686  
1 1 1 48 15 31 o 1.2883   0.332556  2.02352      0.862455 2.48576      1.16665  1.46647      1.28071  1.37664  0.400027  1.09333  0.418359  
1 1 1 48 15 32 o 1.05719  0.346997  1.40819      0.847167 2.60504      1.15863  0.0332276    1.24185  1.38796  0.397146  0.802881 0.362863  
1 1 1 48 15 33 o 0.74892  0.325397  0.320258     0.906601 0.548684     1.22751  0.0461136    1.34475  0.852429 0.374453  0.800612 0.367264  
1 1 1 48 15 34 o 0.766207 0.330879  0.473062     0.926625 1.75913      1.33252  -0.731182    1.28943  1.05233  0.420273  0.683543 0.327945  
1 1 1 48 15 35 o 0.53516  0.261532  -0.99477     0.929137 -0.482575    1.39119  -1.4072      1.24837  0.690167 0.33339   0.589097 0.290743  
1 1 1 48 15 36 o 0.887666 0.381945  1.36531      1.22622  2.32074      1.58957  -0.0388531   1.92703  1.00826  0.434363  0.770336 0.376504  
1 1 1 48 16 0  o 5.72397  0.102522  32.8241      1.17282  32.8241      1.17282  32.8241      1.17282  5.72659  0.0724346 ?        ?         
1 1 1 48 16 1  o 0.869856 0.267959  0.765647     0.511916 1.77135      0.698547 -0.400979    0.752361 1.298    0.277218  0.624218 0.282259  
1 1 1 48 16 2  o 2.20151  0.115503  4.85756      0.50856  5.22313      0.708061 4.46802      0.730908 2.28074  0.155226  2.10838  0.173334  
1 1 1 48 16 3  o 4.87476  0.0685042 23.7825      0.667883 23.7665      0.939065 23.7989      0.95009  4.87116  0.0963903 4.8744   0.0974571 
1 1 1 48 16 4  o 7.10349  0.0772268 50.5127      1.09716  49.5322      1.65587  51.2799      1.46486  7.02927  0.117784  7.15435  0.102376  
1 1 1 48 16 5  o 0.849889 0.238595  0.750133     0.422072 0.760561     0.574935 0.737944     0.62159  0.879549 0.285858  0.881185 0.297231  
1 1 1 48 16 6  o 2.74176  0.083492  7.52709      0.457831 7.27629      0.607289 7.85731      0.696853 2.69425  0.112701  2.79902  0.124481  
1 1 1 48 16 7  o 1.8317   0.124367  3.36526      0.455605 3.40061      0.550256 3.2882       0.812498 1.84007  0.149521  1.80444  0.225138  
1 1 1 48 16 8  o 9.79691  0.0888807 96.1323      1.74151  97.6575      2.48016  94.649       2.44594  9.86654  0.125686  9.71332  0.125906  
1 1 1 48 16 9  o 3.70737  0.0921706 13.7689      0.68342  12.9162      0.975781 14.5899      0.957482 3.58705  0.136014  3.81345  0.12554   
1 1 1 48 16 10 o 0.735321 0.286112  0.347523     0.605041 0.203404     0.869165 0.483018     0.84276  0.803731 0.332337  0.864634 0.337416  
1 1 1 48 16 11 o 4.11466  0.0927205 16.9644      0.763026 16.8758      1.10208  17.0459      1.05747  4.0994   0.13442   4.12077  0.128309  
1 1 1 48 16 12 o 3.56707  0.100711  12.7567      0.718484 11.706       1.01194  13.8247      1.02029  3.41196  0.148293  3.70933  0.13753   
1 1 1 48 16 13 o 4.65504  0.076933  21.7049      0.716252 21.5075      1.03091  21.889       0.995862 4.62976  0.111336  4.6713   0.106594  
1 1 1 48 16 14 o 2.68891  0.108634  7.25525      0.584212 8.8414       0.890557 6.05698      0.774044 2.96372  0.150243  2.45221  0.157826  
1 1 1 48 16 15 o 1.6271   0.16593   2.67028      0.53997  2.48914      0.796606 2.82426      0.734441 1.56177  0.255032  1.66786  0.220175  
1 1 1 48 16 16 o 2.52381  0.122012  6.40197      0.615871 6.50605      0.89373  6.30785      0.849869 2.53717  0.176127  2.49912  0.170033  
1 1 1 48 16 17 o 2.09945  0.153724  4.44514      0.64547  4.5897       0.92152  4.3059       0.904386 2.12433  0.216896  2.05714  0.219816  
1 1 1 48 16 18 o 4.1096   0.0921194 16.9422      0.757148 16.9428      1.04747  16.9416      1.09569  4.10365  0.127627  4.10233  0.133545  
1 1 1 48 16 19 o 1.09828  0.29585   1.29113      0.664496 1.3979       0.867763 1.13975      1.03322  1.14751  0.347952  1.08744  0.382188  
1 1 1 48 16 20 o 1.73193  0.201263  3.05551      0.697148 2.43461      0.913534 3.92133      1.07877  1.50077  0.314457  1.94614  0.277157  
1 1 1 48 16 21 o 2.42455  0.146089  5.94217      0.7084   7.37777      1.01124  4.55879      0.992677 2.69217  0.187811  2.1056   0.235723  
1 1 1 48 16 22 o 2.06966  0.1726    4.35641      0.714446 5.37112      0.951402 3.04428      1.08189  2.28939  0.207785  1.66607  0.336463  
1 1 1 48 16 23 o 0.640353 0.282435  -0.145711    0.705314 -0.633661    0.962176 0.421022     1.03695  0.670103 0.308746  0.891372 0.364972  
1 1 1 48 16 24 o 2.42274  0.160436  5.97142      0.77739  6.65664      1.09335  5.27084      1.10554  2.54071  0.215166  2.25053  0.245619  
1 1 1 48 16 25 o 2.23624  0.169666  5.10893      0.758828 4.71944      1.02438  5.58256      1.12961  2.12662  0.240847  2.31151  0.244344  
1 1 1 48 16 26 o 0.77476  0.312303  0.365859     0.745388 -0.201335    1.00864  1.04833      1.1064   0.750335 0.333463  1.04624  0.391888  
1 1 1 48 16 27 o 1.36483  0.293735  2.07031      0.778829 2.22676      1.08604  1.90466      1.1175   1.38094  0.381027  1.2792   0.396281  
1 1 1 48 16 28 o 2.63902  0.158685  7.15718      0.837544 6.56874      1.15191  7.81719      1.21995  2.49063  0.231249  2.72162  0.224122  
1 1 1 48 16 29 o 0.939757 0.333524  0.949042     0.788584 -0.0085403   1.08355  2.0274       1.14985  0.787836 0.34844   1.27996  0.403079  
1 1 1 48 16 30 o 0.765846 0.31886   0.349275     0.808744 -0.707414    1.09288  1.62842      1.20243  0.680084 0.318747  1.14876  0.411427  
1 1 1 48 16 31 o 0.775729 0.324144  0.409323     0.840454 0.088244     1.12709  0.811474     1.26138  0.788831 0.351474  0.942511 0.395645  
1 1 1 48 16 32 o 0.794385 0.324228  0.544881     0.815749 0.557944     1.07358  0.527037     1.25479  0.849465 0.361164  0.87709  0.381978  
1 1 1 48 16 33 o 1.77829  0.286895  3.82963      1.02037  2.57405      1.4458   5.0756       1.44025  1.23881  0.450401  1.90183  0.392046  
1 1 1 48 16 34 o 0.761565 0.330761  0.468146     0.93604  -0.585501    1.25474  1.79034      1.40558  0.684651 0.327273  1.0414   0.425414  
1 1 1 48 16 35 o 0.62924  0.299981  -0.308466    1.0363   -1.24567     1.3889   0.868531     1.55648  0.622635 0.307145  0.826473 0.385311  
1 1 1 48 16 36 o 0.844975 0.368189  1.23924      1.16714  3.16639      1.63158  -0.780405    1.67027  1.0951   0.454226  0.678773 0.335314  
1 1 1 48 17 0  o 1.2778   0.340393  1.95439      0.749899 1.95439      0.749899 1.95439      0.749899 1.34795  0.212517  ?        ?         
1 1 1 48 17 1  f 2.9188   0.0925744 8.53268      0.540413 9.04211      0.775907 8.05273      0.753121 3.00244  0.129213  2.83317  0.132911  
1 1 1 48 17 2  o 6.14683  0.0695879 37.8171      0.85549  37.2769      1.20383  38.3682      1.21595  6.10002  0.0986746 6.18871  0.0982391 
1 1 1 48 17 3  o 7.14345  0.0735313 51.0802      1.05053  50.3534      1.5282   51.7315      1.44652  7.08833  0.107797  7.18567  0.100653  
1 1 1 48 17 4  o 3.44054  0.081705  11.8524      0.562219 12.2992      0.792642 11.4         0.797575 3.50275  0.113146  3.3719   0.118268  
1 1 1 48 17 5  o 6.72404  0.0752587 45.2629      1.01209  45.3695      1.45796  45.1637      1.40606  6.72798  0.108351  6.7132   0.104723  
1 1 1 48 17 6  o 3.58382  0.0813768 12.8608      0.58328  12.4204      0.799136 13.363       0.85329  3.51973  0.113522  3.65056  0.116871  
1 1 1 48 17 7  o 7.14772  0.0807607 51.1584      1.15451  49.7021      1.60336  52.7264      1.66376  7.04065  0.113864  7.25155  0.114718  
1 1 1 48 17 8  o 3.34238  0.101787  11.196       0.680419 11.3041      0.979137 11.095       0.946223 3.35467  0.145936  3.32385  0.142338  
1 1 1 48 17 9  o 2.81691  0.117131  7.95923      0.659897 8.53866      0.943555 7.40448      0.923247 2.91365  0.16192   2.71243  0.170188  
1 1 1 48 17 10 o 4.95226  0.0832889 24.5651      0.824937 22.1562      1.16412  26.995       1.16917  4.69853  0.123882  5.1879   0.112682  
1 1 1 48 17 11 o 1.50922  0.204919  2.30211      0.618537 2.25341      0.913986 2.34327      0.840156 1.4545   0.322707  1.49048  0.292261  
1 1 1 48 17 12 f 2.01713  0.155447  4.09601      0.627114 3.71732      0.914356 4.43237      0.861728 1.91312  0.238969  2.0932   0.20584   
1 1 1 48 17 13 f 4.37671  0.0895098 19.2004      0.783517 19.5574      1.09972  18.8325      1.11659  4.41245  0.124616  4.32921  0.12896   
1 1 1 48 17 14 o 2.892    0.0939545 8.38657      0.543433 7.53252      0.784539 9.17431      0.753464 2.7358   0.143384  3.0216   0.124679  
1 1 1 48 17 15 o 0.681733 0.264501  0.308874     0.516324 -0.713879    0.777503 1.11574      0.690585 0.580411 0.271265  1.03284  0.309849  
1 1 1 48 17 16 o 2.22314  0.129388  4.9722       0.575293 4.73651      0.814213 5.20717      0.812965 2.16249  0.188258  2.26875  0.179166  
1 1 1 48 17 17 o 2.10545  0.143054  4.46577      0.602387 3.83495      0.860697 5.07145      0.843375 1.94094  0.221722  2.23751  0.188463  
1 1 1 48 17 18 o 3.42708  0.10689   11.798       0.732638 11.8991      0.967961 11.6625      1.12102  3.43601  0.140855  3.39674  0.165014  
1 1 1 48 17 19 o 0.784532 0.301952  0.445249     0.670076 0.498617     0.883965 0.373159     1.02739  0.872273 0.3442    0.888734 0.363488  
1 1 1 48 17 20 o 3.44047  0.104931  11.9022      0.722023 11.5349      0.983828 12.331       1.06294  3.37847  0.145603  3.49141  0.152223  
1 1 1 48 17 21 o 3.28389  0.117924  10.8656      0.774501 11.7287      1.07747  9.94291      1.11407  3.40147  0.158383  3.12621  0.178181  
1 1 1 48 17 22 o 2.24897  0.159032  5.13327      0.715315 5.02856      0.942534 5.2755       1.0985   2.21304  0.21295   2.25778  0.24327   
1 1 1 48 17 23 o 4.75953  0.10031   22.7988      0.954858 23.1545      1.25064  22.3018      1.47854  4.78564  0.130666  4.68502  0.157794  
1 1 1 48 17 24 o 0.785396 0.310174  0.428273     0.718382 0.089649     0.993836 0.798801     1.0396   0.801433 0.344317  0.973579 0.375816  
1 1 1 48 17 25 o 1.49151  0.245594  2.32691      0.73261  1.65952      0.986488 3.14765      1.09396  1.21378  0.371585  1.67862  0.337722  
1 1 1 48 17 26 o 2.14692  0.181301  4.74157      0.778475 5.45011      1.07868  3.97142      1.12461  2.2797   0.236585  1.92258  0.292473  
1 1 1 48 17 27 o 2.47312  0.165888  6.28172      0.820523 6.32966      1.13689  6.2296       1.18542  2.45227  0.231804  2.42611  0.244305  
1 1 1 48 17 28 o 1.20405  0.32071   1.68304      0.786357 3.41352      1.1066   -0.0821309   1.11764  1.71807  0.333965  0.789242 0.350873  
1 1 1 48 17 29 o 0.778185 0.314629  0.434692     0.759749 0.973882     1.06314  -0.128071    1.08613  0.981478 0.379801  0.765404 0.342919  
1 1 1 48 17 30 o 0.905789 0.341002  0.867815     0.83982  0.116751     1.13038  1.79315      1.25469  0.805759 0.35619   1.17895  0.420469  
1 1 1 48 17 31 f 1.89579  0.215807  3.90579      0.818251 3.91356      1.122    3.89697      1.19589  1.79688  0.324049  1.76757  0.350752  
1 1 1 48 17 32 o 0.737175 0.317929  0.301222     0.853401 0.776691     1.22798  -0.142932    1.18685  0.899847 0.384533  0.748451 0.344045  
1 1 1 48 17 33 o 0.563338 0.274147  -1.10755     0.985513 -0.491818    1.36447  -1.77906     1.42494  0.725452 0.34519   0.63392  0.312327  
1 1 1 48 17 34 o 0.702907 0.315948  0.258222     0.928758 1.99049      1.25527  -1.83719     1.38058  1.05944  0.412132  0.599858 0.298039  
1 1 1 48 17 35 o 0.749475 0.340394  0.557126     1.10908  0.742137     1.48385  0.322939     1.66944  0.800442 0.374352  0.773433 0.371576  
1 1 1 48 17 36 o 0.589421 0.288556  -0.538219    1.14421  -1.33488     1.56202  0.384232     1.68082  0.598819 0.300179  0.709832 0.348107  
1 1 1 48 18 0  o 2.29638  0.17096   5.3753       0.775174 5.3753       0.775174 5.3753       0.775174 2.30764  0.119496  ?        ?         
1 1 1 48 18 1  o 3.34562  0.0850369 11.2091      0.569003 12.1489      0.819396 10.3339      0.790751 3.4808   0.117702  3.20986  0.123175  
1 1 1 48 18 2  o 10.5535  0.0858763 111.538      1.81258  106.317      2.52504  117.089      2.60352  10.2957  0.122626  10.8053  0.120474  
1 1 1 48 18 3  o 4.46751  0.073041  19.9799      0.652622 19.0376      0.925928 20.9102      0.919995 4.35832  0.106225  4.56815  0.100697  
1 1 1 48 18 4  o 6.28688  0.0750938 39.57        0.944211 39.0988      1.3553   40.0145      1.31619  6.24549  0.108503  6.31879  0.104149  
1 1 1 48 18 5  o 7.07354  0.0740273 50.0915      1.04727  51.435       1.50619  48.8341      1.45716  7.16371  0.105126  6.98035  0.104376  
1 1 1 48 18 6  o 3.39661  0.0966525 11.5597      0.656582 12.1743      0.958942 11.0172      0.900871 3.48228  0.137689  3.31283  0.135967  
1 1 1 48 18 7  o 3.86432  0.0892441 14.9589      0.689735 15.5309      1.01474  14.4677      0.940365 3.93384  0.128976  3.79733  0.123819  
1 1 1 48 18 8  o 3.19438  0.102219  10.2284      0.653052 9.80457      0.962865 10.5895      0.888697 3.12278  0.154168  3.24723  0.136839  
1 1 1 48 18 9  o 4.5124   0.085455  20.3977      0.771215 19.7494      1.08989  21.0478      1.09144  4.43595  0.122847  4.57995  0.119154  
1 1 1 48 18 10 o 8.85077  0.0915002 78.5061      1.61969  74.0059      2.42148  82.1497      2.17887  8.58067  0.141101  9.04675  0.120423  
1 1 1 48 18 11 o 6.66407  0.0847473 44.4985      1.12952  43.9273      1.58079  45.0943      1.61451  6.61476  0.11949   6.70184  0.120453  
1 1 1 48 18 12 o 4.55583  0.0870053 20.8015      0.792763 22.2206      1.14705  19.5039      1.0969   4.70373  0.12193   4.40642  0.124466  
1 1 1 48 18 13 o 0.800559 0.289066  0.554363     0.594631 0.54304      0.862691 0.564612     0.820747 0.882964 0.342036  0.875646 0.334955  
1 1 1 48 18 14 o 1.03231  0.286448  1.12813      0.611846 1.88969      0.881402 0.419854     0.850014 1.32481  0.332812  0.844926 0.336221  
1 1 1 48 18 15 o 0.607846 0.252549  0.100712     0.505705 0.684191     0.863079 -0.204332    0.62405  0.920549 0.345863  0.592369 0.262898  
1 1 1 48 18 16 o 2.87422  0.11579   8.30073      0.665612 7.70094      1.0138   8.75516      0.882446 2.75829  0.183773  2.94701  0.149719  
1 1 1 48 18 17 f 2.70462  0.115453  7.35295      0.624511 7.49921      0.853613 7.18451      0.916073 2.72546  0.1566    2.66508  0.171866  
1 1 1 48 18 18 o 1.16038  0.285402  1.44441      0.658645 2.04009      0.922125 0.823973     0.941093 1.37039  0.338091  0.978357 0.362423  
1 1 1 48 18 19 o 0.864945 0.299201  0.719935     0.631111 0.672226     0.840962 0.781449     0.95491  0.904138 0.34103   0.964765 0.363537  
1 1 1 48 18 20 o 3.27634  0.112218  10.8045      0.735329 10.5675      1.03233  11.0485      1.04766  3.2294   0.159833  3.30241  0.158621  
1 1 1 48 18 21 o 3.55976  0.112     12.7635      0.797385 13.7898      1.11079  11.6724      1.14535  3.68935  0.15054   3.38861  0.169     
1 1 1 48 18 22 o 0.924644 0.315658  0.856828     0.701054 0.928292     0.970875 0.778972     1.01337  1.00067  0.368569  0.969542 0.371808  
1 1 1 48 18 23 o 1.98564  0.182188  4.03188      0.723522 4.59462      0.976184 3.34592      1.07777  2.10532  0.231838  1.74648  0.320523  
1 1 1 48 18 24 o 0.564002 0.263271  -0.606863    0.729513 -1.42315     0.95992  0.509157     1.12241  0.567973 0.274805  0.926379 0.379578  
1 1 1 48 18 25 o 1.4137   0.269563  2.17196      0.734801 1.14266      0.988092 3.44548      1.09908  1.05279  0.373368  1.76261  0.323886  
1 1 1 48 18 26 o 0.981863 0.324703  1.03564      0.741804 1.96096      1.01171  -0.040193    1.0909   1.30125  0.370726  0.803069 0.352885  
1 1 1 48 18 27 o 2.31419  0.172941  5.52874      0.800435 5.4315       1.11968  5.63039      1.14471  2.25661  0.248088  2.29692  0.249184  
1 1 1 48 18 28 o 1.35572  0.29617   2.0995       0.780891 3.09346      1.08045  1.01246      1.12991  1.62213  0.343542  1.00652  0.391122  
1 1 1 48 18 29 o 1.40008  0.292245  2.25517      0.791611 3.03647      1.06822  1.30347      1.17897  1.5921   0.345187  1.06907  0.403628  
1 1 1 48 18 30 f 0.930653 0.337187  0.985318     0.809691 1.61081      1.07579  0.168006     1.22974  1.12118  0.390368  0.830351 0.368715  
1 1 1 48 18 31 o 0.688922 0.303528  0.0729026    0.811601 0.501819     1.12568  -0.391429    1.17123  0.851657 0.366188  0.725339 0.336644  
1 1 1 48 18 32 o 0.620375 0.291067  -0.467587    0.920074 0.144062     1.33526  -1.02054     1.26958  0.806561 0.368307  0.662964 0.319848  
1 1 1 48 18 33 o 0.703986 0.316077  0.146211     0.9271   0.50869      1.25262  -0.292883    1.37866  0.823117 0.368534  0.744498 0.351101  
1 1 1 48 18 34 o 0.982413 0.361741  1.56781      0.935178 1.44772      1.23745  1.72774      1.428    0.921116 0.38951   0.956795 0.411938  
1 1 1 48 18 35 o 0.770367 0.347299  0.679909     1.13057  1.59904      1.68278  -0.0763015   1.52637  0.899471 0.41187   0.726591 0.350585  
1 1 1 48 19 0  o 1.84568  0.229947  3.5799       0.819133 3.5799       0.819133 3.5799       0.819133 1.87016  0.157423  ?        ?         
1 1 1 48 19 1  o 7.81218  0.0743787 61.1001      1.16212  59.4798      1.64428  62.7173      1.64269  7.70329  0.106726  7.91065  0.103828  
1 1 1 48 19 2  o 4.32047  0.0766431 18.6893      0.662268 18.5646      0.937734 18.8133      0.935448 4.30339  0.108953  4.33222  0.107964  
1 1 1 48 19 3  o 7.56636  0.0738207 57.3154      1.11711  56.7631      1.56826  57.8843      1.59166  7.52561  0.104195  7.59948  0.104721  
1 1 1 48 19 4  o 4.30042  0.0711161 18.5136      0.611658 18.2565      0.882148 18.7515      0.848842 4.26794  0.103346  4.32589  0.0981117 
1 1 1 48 19 5  o 2.06     0.120078  4.25705      0.494722 4.57295      0.62397  3.7223       0.811818 2.13347  0.146233  1.91998  0.211413  
1 1 1 48 19 6  o 2.28133  0.128574  5.22402      0.586637 5.18336      0.833237 5.26398      0.826071 2.26805  0.18369   2.2859   0.180688  
1 1 1 48 19 7  o 5.88117  0.0762637 34.6359      0.89704  34.3896      1.2828   34.8715      1.25487  5.85596  0.10953   5.89731  0.106394  
1 1 1 48 19 8  o 7.38449  0.0817169 54.6217      1.20688  54.4667      1.72146  54.7716      1.69247  7.36764  0.116826  7.38872  0.114531  
1 1 1 48 19 9  o 0.847781 0.283293  0.695449     0.564662 1.54478      0.836914 -0.0142338   0.765024 1.20653  0.335089  0.706867 0.302835  
1 1 1 48 19 10 o 6.90333  0.0820477 47.7462      1.13281  44.9439      1.62892  50.3708      1.57643  6.69021  0.121739  7.08503  0.111251  
1 1 1 48 19 11 o 4.09734  0.0926171 16.8306      0.758968 16.8285      1.07174  16.8327      1.07496  4.09201  0.130955  4.09246  0.131334  
1 1 1 48 19 12 o 3.57028  0.102659  12.7885      0.733042 11.9845      1.03324  13.6034      1.04016  3.44984  0.149751  3.67684  0.141447  
1 1 1 48 19 13 o 1.3051   0.23624   1.78612      0.593992 2.83247      0.872886 0.883715     0.810627 1.66396  0.262292  0.969415 0.338732  
1 1 1 48 19 14 f 1.50086  0.214579  2.28996      0.644106 2.15397      0.94632  2.40733      0.879188 1.41139  0.338993  1.50187  0.303318  
1 1 1 48 19 15 o 0.69212  0.290789  0.093211     0.682363 0.0396348    0.967164 0.146312     0.962865 0.799263 0.341397  0.819978 0.345008  
1 1 1 48 19 16 o 0.920898 0.283518  0.877481     0.573201 0.946717     0.955795 0.838595     0.716308 1.01841  0.366607  0.93151  0.319074  
1 1 1 48 19 17 o 0.868773 0.292357  0.738414     0.601373 1.31711      0.909074 0.288109     0.801911 1.12384  0.358908  0.790038 0.321796  
1 1 1 48 19 18 o 3.31228  0.110205  11.0328      0.730062 11.2651      1.07429  10.8334      0.995171 3.33644  0.160993  3.274    0.151981  
1 1 1 48 19 19 o 3.06345  0.124971  9.45898      0.765687 8.75051      1.14888  10.0251      1.02703  2.92974  0.196072  3.14509  0.163275  
1 1 1 48 19 20 o 1.6093   0.211574  2.65531      0.680974 2.60021      0.932418 2.71828      0.996899 1.54601  0.312487  1.57587  0.327224  
1 1 1 48 19 21 o 4.48958  0.0964906 20.2685      0.866405 20.982       1.1589   19.3644      1.30455  4.55859  0.127112  4.37143  0.149213  
1 1 1 48 19 22 o 1.04236  0.314323  1.17497      0.70944  2.45326      0.986593 -0.19372     1.02089  1.48509  0.339428  0.762675 0.337648  
1 1 1 48 19 23 o 0.942962 0.316104  0.922582     0.703036 1.74882      0.959657 -0.034513    1.03286  1.24559  0.363087  0.791382 0.345584  
1 1 1 48 19 24 o 1.59768  0.231135  2.65673      0.73856  2.44143      0.980016 2.93976      1.12361  1.47328  0.339366  1.61066  0.358186  
1 1 1 48 19 25 o 0.794579 0.312112  0.473241     0.72375  0.0845895    0.97975  0.940067     1.07377  0.788785 0.340425  1.00648  0.383669  
1 1 1 48 19 26 o 3.51634  0.122362  12.5455      0.860531 12.9916      1.1654   12.0106      1.27607  3.55828  0.163759  3.40802  0.187215  
1 1 1 48 19 27 o 0.972118 0.327741  1.04422      0.75575  0.778785     1.04491  1.3354       1.09439  0.940993 0.373304  1.09013  0.392302  
1 1 1 48 19 28 o 1.04626  0.330264  1.26994      0.771419 2.52142      1.04034  -0.25863     1.14975  1.44499  0.360715  0.766102 0.34754   
1 1 1 48 19 29 o 2.22155  0.190473  5.20944      0.846292 5.56503      1.1217   4.73956      1.28943  2.25475  0.248742  2.02578  0.318255  
1 1 1 48 19 30 o 1.25423  0.32232   1.93692      0.812798 2.86919      1.092    0.77884      1.21709  1.49406  0.367497  0.92574  0.388622  
1 1 1 48 19 31 o 0.912259 0.348605  0.973592     0.888264 0.611736     1.23494  1.36148      1.27859  0.879749 0.380971  1.02796  0.411233  
1 1 1 48 19 32 o 0.731426 0.321407  0.291886     0.904978 0.956041     1.278    -0.376096    1.28167  0.907727 0.390233  0.722625 0.340123  
1 1 1 48 19 33 o 0.739101 0.325592  0.377771     0.933458 0.341572     1.23582  0.42586      1.42438  0.785367 0.357393  0.82189  0.377426  
1 1 1 48 19 34 o 0.648666 0.305983  -0.142336    1.04834  1.30607      1.51703  -1.46626     1.45038  0.871272 0.396348  0.617224 0.306503  
1 1 1 48 19 35 o 1.08721  0.406329  2.47311      1.18815  4.67618      1.88123  1.01116      1.53247  1.23241  0.496405  0.798961 0.374998  
1 1 1 48 20 0  o 2.41595  0.187029  5.96304      0.89125  5.96304      0.89125  5.96304      0.89125  2.42923  0.130576  ?        ?         
1 1 1 48 20 1  o 9.78948  0.0849923 95.9873      1.66406  95.5553      2.3238   96.442       2.38404  9.76001  0.119047  9.80453  0.121578  
1 1 1 48 20 2  o 3.36887  0.0860245 11.3681      0.579611 11.6612      0.808424 11.058       0.831447 3.40952  0.118554  3.31957  0.125234  
1 1 1 48 20 3  o 3.34491  0.0790476 11.2043      0.528814 11.0483      0.735085 11.3717      0.761317 3.31929  0.110729  3.36732  0.113045  
1 1 1 48 20 4  o 3.58588  0.0724244 12.8742      0.51941  12.8053      0.721178 12.9485      0.748708 3.57423  0.100886  3.59388  0.104164  
1 1 1 48 20 5  o 2.37574  0.125987  5.66557      0.598626 5.7558       0.867863 5.58367      0.826799 2.38972  0.181582  2.35432  0.175592  
1 1 1 48 20 6  o 3.7626   0.0905441 14.186       0.681362 13.5509      0.963161 14.8222      0.964022 3.67334  0.131102  3.84246  0.125443  
1 1 1 48 20 7  o 6.78021  0.0775102 46.0434      1.05107  46.4302      1.5102   45.6799      1.46376  6.8031   0.110994  6.7484   0.108452  
1 1 1 48 20 8  o 0.501964 0.233483  -0.502981    0.567359 -1.01573     0.823932 -0.040612    0.782411 0.563065 0.268072  0.708506 0.304978  
1 1 1 48 20 9  o 5.38496  0.0803469 29.0513      0.865329 28.2107      1.23442  29.8635      1.21338  5.30119  0.116428  5.45518  0.111213  
1 1 1 48 20 10 o 1.13394  0.265296  1.36394      0.591578 1.86523      0.882309 0.95453      0.797362 1.31883  0.333992  0.99242  0.336643  
1 1 1 48 20 11 o 1.1786   0.267558  1.47474      0.616412 0.166295     0.883854 2.71382      0.860107 0.796383 0.332568  1.62961  0.263901  
1 1 1 48 20 12 o 5.577    0.0877085 31.1824      0.9783   32.0858      1.3725   30.2493      1.39482  5.65044  0.121451  5.48505  0.127147  
1 1 1 48 20 13 o 2.81356  0.122832  7.95912      0.691191 8.91229      0.970045 6.97612      0.985113 2.97106  0.163249  2.62456  0.187672  
1 1 1 48 20 14 o 1.64858  0.210805  2.76108      0.695059 2.74275      0.982144 2.77947      0.983781 1.6017   0.317893  1.61303  0.316222  
1 1 1 48 20 15 o 3.05743  0.125     9.403        0.764355 8.72616      1.11469  10.0037      1.05012  2.934    0.18996   3.14629  0.166883  
1 1 1 48 20 16 o 3.17463  0.118773  10.135       0.754123 8.51599      1.0112   12.1638      1.13197  2.9006   0.174309  3.4692   0.163145  
1 1 1 48 20 17 o 1.33408  0.221022  1.81799      0.589722 0.922366     0.896073 2.50228      0.783253 0.994439 0.355267  1.56031  0.250992  
1 1 1 48 20 18 o 0.585786 0.260986  -0.21417     0.621357 -1.00192     0.929182 0.423041     0.835696 0.608874 0.287463  0.833159 0.3328    
1 1 1 48 20 19 o 0.965619 0.311467  0.967325     0.683389 0.869287     1.04274  1.04114      0.904788 1.00561  0.379615  1.02566  0.357915  
1 1 1 48 20 20 o 1.55571  0.221191  2.48953      0.688215 3.1488       0.994341 1.8833       0.95351  1.73317  0.286856  1.3023   0.35601   
1 1 1 48 20 21 o 4.22206  0.10577   17.9506      0.89313  19.0705      1.2074   16.5973      1.32724  4.34049  0.139086  4.03963  0.164277  
1 1 1 48 20 22 o 2.48729  0.151495  6.28572      0.753622 7.16093      1.05011  5.35622      1.08218  2.63982  0.198897  2.2698   0.238387  
1 1 1 48 20 23 o 2.15824  0.176339  4.76733      0.761167 4.12677      1.05078  5.47458      1.10411  1.97949  0.265416  2.29009  0.241062  
1 1 1 48 20 24 o 1.18888  0.301615  1.57234      0.718588 2.06392      0.963475 0.9561       1.07874  1.34585  0.353409  1.01668  0.38543   
1 1 1 48 20 25 o 2.08476  0.182733  4.47454      0.761906 3.86795      1.02098  5.23688      1.14458  1.90704  0.267687  2.22405  0.257319  
1 1 1 48 20 26 o 3.42121  0.126161  11.9062      0.863246 11.5206      1.1628   12.3796      1.28848  3.33989  0.174078  3.45405  0.186517  
1 1 1 48 20 27 o 1.71264  0.229739  3.12392      0.786918 4.4251       1.07655  1.63103      1.15313  2.01711  0.266854  1.16829  0.404407  
1 1 1 48 20 28 o 0.873131 0.326054  0.770386     0.764748 0.990725     1.026    0.494936     1.14715  0.974958 0.37405   0.887853 0.375216  
1 1 1 48 20 29 o 1.47979  0.284978  2.53886      0.813315 2.74087      1.05654  2.24503      1.2742   1.47803  0.360203  1.28528  0.42556   
1 1 1 48 20 30 o 0.915409 0.335146  0.972013     0.801736 1.35431      1.03807  0.40685      1.26215  1.03638  0.381168  0.864021 0.379622  
1 1 1 48 20 31 o 0.675648 0.304412  -0.0148646   0.867269 -0.342693    1.17526  0.377107     1.2851   0.713768 0.33356   0.834787 0.373532  
1 1 1 48 20 32 o 1.77944  0.268432  3.79628      0.955315 2.62388      1.32039  5.08413      1.38388  1.25778  0.432997  1.90901  0.375849  
1 1 1 48 20 33 o 1.26944  0.3758    2.56766      1.02043  1.93857      1.43965  3.20282      1.44657  1.00416  0.422155  1.26415  0.451415  
1 1 1 48 20 34 o 0.836897 0.370471  1.06354      1.22861  -0.971775    2.20445  1.9806       1.47974  0.742634 0.370026  0.96904  0.418295  
1 1 1 48 20 35 o 0.567483 0.282363  -1.12076     1.26188  -0.334209    2.10565  -1.56154     1.57629  0.690801 0.347248  0.588435 0.296141  
1 1 1 48 21 0  o 1.3274   0.320194  2.05717      0.736363 2.05717      0.736363 2.05717      0.736363 1.39039  0.199078  ?        ?         
1 1 1 48 21 1  o 2.07574  0.128198  4.32582      0.532211 4.67782      0.78964  4.03281      0.720433 2.1541   0.183288  2.00036  0.180076  
1 1 1 48 21 2  o 1.91883  0.136358  3.69866      0.523297 3.62336      0.708891 3.78884      0.775725 1.89543  0.187     1.93703  0.200236  
1 1 1 48 21 3  f 4.67519  0.071995  21.8856      0.67318  21.8666      0.930251 21.9065      0.975394 4.67042  0.0995896 4.67412  0.10434   
1 1 1 48 21 4  o 2.14812  0.103495  4.62705      0.444637 4.83471      0.549149 4.23177      0.757647 2.19443  0.125123  2.04823  0.184952  
1 1 1 48 21 5  o 3.4113   0.101013  11.6684      0.689173 12.0706      0.976419 11.269       0.972867 3.46526  0.140887  3.34766  0.145305  
1 1 1 48 21 6  o 4.28556  0.0870205 18.4043      0.745864 17.7565      1.03501  19.1042      1.07579  4.20517  0.123064  4.36179  0.12332   
1 1 1 48 21 7  o 5.47514  0.0843515 30.0375      0.923673 30.9082      1.23779  28.9434      1.38754  5.54983  0.111516  5.36733  0.129258  
1 1 1 48 21 8  o 5.54431  0.0833405 30.8018      0.924132 31.7099      1.31803  29.9237      1.29608  5.61994  0.117264  5.45909  0.118709  
1 1 1 48 21 9  o 4.53696  0.0885446 20.633       0.803445 20.4034      1.12006  20.8764      1.15314  4.50646  0.124273  4.55801  0.126497  
1 1 1 48 21 10 o 6.89298  0.087632  47.6289      1.20809  46.9295      1.68219  48.3738      1.73608  6.83394  0.123076  6.93774  0.125118  
1 1 1 48 21 11 o 0.505585 0.239969  -0.787076    0.655755 -0.455311    0.932139 -1.11215     0.922687 0.69432  0.314057  0.596448 0.283831  
1 1 1 48 21 12 o 1.49658  0.230509  2.28277      0.689949 1.60717      0.958389 3.00959      0.99406  1.22732  0.364375  1.68217  0.306846  
1 1 1 48 21 13 o 2.70765  0.130884  7.37635      0.708775 7.79478      1.00596  6.96386      0.998794 2.77548  0.181223  2.62177  0.190481  
1 1 1 48 21 14 o 2.33616  0.149006  5.50319      0.696204 5.63211      1.06536  5.4071       0.919768 2.35052  0.226623  2.30808  0.19925   
1 1 1 48 21 15 o 3.41005  0.107467  11.6818      0.732934 10.3091      1.02036  13.1452      1.05349  3.19454  0.159703  3.61032  0.1459    
1 1 1 48 21 16 o 2.71272  0.133087  7.41426      0.722053 5.80623      0.953944 9.57138      1.10488  2.3893   0.199628  3.07256  0.179798  
1 1 1 48 21 17 o 3.15246  0.102413  9.99008      0.645709 10.2995      1.01972  9.78297      0.834284 3.18911  0.159874  3.11394  0.13396   
1 1 1 48 21 18 o 3.71315  0.103286  13.8649      0.767034 12.8478      1.12174  14.758       1.0512   3.56117  0.157496  3.82261  0.137497  
1 1 1 48 21 19 o 4.61589  0.0977711 21.424       0.902603 20.6966      1.24379  22.2332      1.31188  4.52468  0.137445  4.68873  0.139897  
1 1 1 48 21 20 o 3.02966  0.123808  9.26483      0.75019  8.88217      1.08531  9.61493      1.03812  2.94973  0.183968  3.07394  0.168859  
1 1 1 48 21 21 o 2.85022  0.134899  8.22226      0.768985 7.66292      1.04232  8.89033      1.13913  2.73524  0.190536  2.94511  0.193393  
1 1 1 48 21 22 f 2.20472  0.167311  4.96241      0.737745 5.8026       1.04221  4.1186       1.04445  2.3665   0.2202    1.97875  0.263917  
1 1 1 48 21 23 o 0.825256 0.314281  0.56501      0.719924 1.23095      1.01479  -0.109762    1.02149  1.08337  0.378953  0.772522 0.34042   
1 1 1 48 21 24 o 2.46391  0.160677  6.20813      0.791791 7.12117      1.11497  5.27921      1.12462  2.61718  0.213009  2.23673  0.251397  
1 1 1 48 21 25 o 2.53015  0.162822  6.56992      0.82393  5.62964      1.13432  7.62011      1.19878  2.30488  0.246069  2.69553  0.222365  
1 1 1 48 21 26 o 0.828529 0.32365   0.581966     0.775794 0.0628803    1.06438  1.17026      1.13312  0.797979 0.349621  1.05081  0.395999  
1 1 1 48 21 27 o 2.29329  0.180294  5.47922      0.826932 5.86838      1.13767  5.04331      1.20407  2.33459  0.243656  2.13893  0.281465  
1 1 1 48 21 28 o 1.64448  0.248203  2.95738      0.816328 2.39763      1.08554  3.68591      1.23843  1.3765   0.381414  1.72855  0.369071  
1 1 1 48 21 29 o 1.38884  0.305661  2.31727      0.826085 2.58481      1.08313  1.94524      1.27724  1.40751  0.377072  1.19033  0.424261  
1 1 1 48 21 30 f 0.563346 0.26871   -0.747744    0.834339 -1.33197     1.14608  -0.089004    1.21697  0.612168 0.297194  0.772194 0.35227   
1 1 1 48 21 31 f 0.63249  0.292997  -0.268689    0.881844 -0.671304    1.21175  0.184614     1.28577  0.67736  0.323268  0.795444 0.362665  
1 1 1 48 21 32 o 1.17838  0.384628  2.11636      1.04088  0.696494     1.58002  3.20502      1.38352  0.879547 0.401283  1.37358  0.443182  
1 1 1 48 21 33 o 0.640755 0.30551   -0.297316    1.07574  -0.836242    1.6303   0.11828      1.43165  0.692423 0.340615  0.742275 0.35338   
1 1 1 48 21 34 o 0.57201  0.28262   -1.24358     1.18779  0.161986     1.78887  -2.35192     1.5885   0.760539 0.369874  0.588381 0.296354  
1 1 1 48 22 0  o 8.65387  0.112843  75.0552      1.95231  75.0552      1.95231  75.0552      1.95231  8.65869  0.0797322 ?        ?         
1 1 1 48 22 1  o 4.67923  0.0756151 21.9288      0.707641 20.871       0.986697 23.0491      1.01543  4.56138  0.108158  4.79379  0.105911  
1 1 1 48 22 2  o 1.81656  0.137236  3.31676      0.498594 3.66068      0.687842 2.93597      0.723766 1.90495  0.180541  1.70314  0.21248   
1 1 1 48 22 3  o 4.15962  0.0735916 17.3283      0.612226 17.4129      0.864208 17.243       0.867439 4.16676  0.103703  4.14627  0.104605  
1 1 1 48 22 4  o 6.34339  0.0795383 40.3099      1.00909  42.9091      1.51729  38.2485      1.35123  6.5383   0.116031  6.17428  0.109424  
1 1 1 48 22 5  o 1.35839  0.226001  1.87214      0.613995 1.63011      0.875824 2.10605      0.861006 1.23694  0.342546  1.40504  0.314326  
1 1 1 48 22 6  o 2.31359  0.137467  5.38229      0.636086 5.53201      0.936475 5.25404      0.866695 2.33844  0.200235  2.28023  0.190045  
1 1 1 48 22 7  o 2.27939  0.139805  5.22621      0.637339 6.85602      0.913348 3.67942      0.889782 2.60641  0.175212  1.90263  0.23383   
1 1 1 48 22 8  o 3.45173  0.102867  11.9537      0.710139 12.1576      1.01738  11.76        0.991693 3.47513  0.146379  3.41804  0.145068  
1 1 1 48 22 9  o 5.03264  0.0878802 25.3909      0.884538 24.7999      1.22609  26.0323      1.27734  4.96752  0.123411  5.08901  0.125499  
1 1 1 48 22 10 o 4.34801  0.0977793 18.9675      0.850291 18.9112      1.22871  19.0192      1.17789  4.33359  0.141765  4.34726  0.135475  
1 1 1 48 22 11 o 2.89672  0.119221  8.43401      0.690699 8.10474      1.07518  8.66537      0.901264 2.8284   0.190068  2.93116  0.153739  
1 1 1 48 22 12 o 2.31826  0.14438   5.41441      0.669421 4.26997      0.962649 6.48605      0.931526 2.04603  0.235248  2.53134  0.183999  
1 1 1 48 22 13 o 2.64608  0.129946  7.04627      0.687695 7.01224      0.992453 7.07771      0.953794 2.6304   0.188651  2.64416  0.180359  
1 1 1 48 22 14 o 2.75323  0.128358  7.6299       0.706796 8.36796      1.04782  7.01372      0.957409 2.87375  0.182309  2.63102  0.181946  
1 1 1 48 22 15 o 3.27031  0.114448  10.7535      0.74856  10.8675      1.02536  10.6234      1.09535  3.27972  0.156318  3.23989  0.169041  
1 1 1 48 22 16 o 2.59787  0.140171  6.81486      0.728294 5.80432      1.00593  7.92811      1.05581  2.38316  0.211049  2.79116  0.189134  
1 1 1 48 22 17 o 1.5914   0.217258  2.59404      0.69149  3.06757      0.981589 2.12754      0.974281 1.68981  0.30127   1.38898  0.350496  
1 1 1 48 22 18 o 3.26417  0.107324  10.7248      0.700646 9.51113      1.08957  11.5805      0.914892 3.05632  0.178248  3.38535  0.135125  
1 1 1 48 22 19 o 0.621729 0.26963   -0.0454367   0.620294 0.833654     0.959576 -0.676463    0.812992 0.973287 0.364881  0.597243 0.278454  
1 1 1 48 22 20 o 1.59936  0.209195  2.63034      0.669156 2.0382       1.00232  3.10646      0.89878  1.34678  0.363607  1.72482  0.260543  
1 1 1 48 22 21 o 1.5367   0.239304  2.45973      0.735477 1.93003      1.01258  3.05125      1.07003  1.3046   0.370632  1.6566   0.334675  
1 1 1 48 22 22 o 2.34176  0.159741  5.59012      0.748153 4.98629      1.05955  6.19054      1.05655  2.18469  0.242494  2.44507  0.216058  
1 1 1 48 22 23 o 2.10495  0.177308  4.54646      0.746451 4.85871      1.0613   4.2408       1.05007  2.15066  0.246739  2.00308  0.262113  
1 1 1 48 22 24 o 0.75754  0.313279  0.278162     0.772504 1.3741       1.07946  -0.872313    1.10599  1.12074  0.390955  0.684608 0.320829  
1 1 1 48 22 25 o 0.715561 0.30253   0.175444     0.746262 -0.252081    1.01457  0.67941      1.10154  0.730819 0.329261  0.934348 0.378403  
1 1 1 48 22 26 o 0.635948 0.287075  -0.238752    0.774986 0.0760654    1.05347  -0.610084    1.14412  0.793894 0.347827  0.718712 0.333245  
1 1 1 48 22 27 o 1.8      0.223212  3.4641       0.803566 3.43847      1.06729  3.49765      1.22098  1.71616  0.322812  1.69265  0.370823  
1 1 1 48 22 28 o 0.834737 0.32971   0.6494       0.811838 0.041356     1.04546  1.57299      1.28849  0.764486 0.339656  1.11537  0.421709  
1 1 1 48 22 29 o 2.37931  0.188364  6.04269      0.896354 5.68181      1.17062  6.55415      1.39361  2.2438   0.260857  2.37422  0.293488  
1 1 1 48 22 30 o 1.12234  0.358814  1.70576      0.908422 1.14902      1.31429  2.21505      1.25703  0.970573 0.40544   1.2122   0.421979  
1 1 1 48 22 31 o 0.720902 0.3215    0.2036       0.944974 0.269176     1.42312  0.151884     1.26381  0.819756 0.376786  0.779154 0.356842  
1 1 1 48 22 32 o 0.845552 0.355415  0.962672     1.02014  1.14101      1.45623  0.790811     1.42955  0.892523 0.398541  0.844481 0.384318  
1 1 1 48 22 33 o 0.691378 0.318653  0.23301      1.02601  -0.180895    1.57629  0.53728      1.3515   0.7226   0.350096  0.768167 0.358483  
1 1 1 48 22 34 o 0.818051 0.364533  1.32453      1.21269  1.69963      1.8713   1.05294      1.5923   0.822579 0.394752  0.773527 0.369498  
1 1 1 48 23 0  o 0.495419 0.323699  -0.0216144   0.760871 -0.0216144   0.760871 -0.0216144   0.760871 0.416119 0.272012  ?        ?         
1 1 1 48 23 1  o 10.3931  0.0925411 108.283      1.92357  104.648      2.72588  111.889      2.71485  10.2037  0.133573  10.5528  0.128632  
1 1 1 48 23 2  o 4.69276  0.0742867 22.0573      0.69722  20.6255      0.971472 23.5782      1.00124  4.53403  0.107131  4.84829  0.103257  
1 1 1 48 23 3  o 2.67446  0.0873189 7.16873      0.467061 7.10281      0.637148 7.2453       0.686679 2.65955  0.119785  2.68531  0.127858  
1 1 1 48 23 4  o 9.08619  0.0896688 82.7568      1.6295   83.4068      2.36913  82.1732      2.2448   9.10991  0.13003   9.04431  0.1241    
1 1 1 48 23 5  o 2.03899  0.148288  4.18531      0.604717 4.38308      0.86737  3.99826      0.843527 2.07987  0.208515  1.98599  0.21237   
1 1 1 48 23 6  o 4.75874  0.0837938 22.6952      0.797506 22.6885      1.178    22.7009      1.08359  4.75181  0.123953  4.75487  0.113946  
1 1 1 48 23 7  o 4.20672  0.0895279 17.7421      0.753238 16.0454      1.09864  19.247       1.03471  3.99337  0.137558  4.37719  0.118193  
1 1 1 48 23 8  o 3.06778  0.106704  9.44732      0.654687 9.32477      0.945145 9.56035      0.907724 3.04118  0.155391  3.08063  0.147328  
1 1 1 48 23 9  o 5.85952  0.0866106 34.4255      1.01499  34.66        1.4075   34.1714      1.46506  5.87222  0.119844  5.82919  0.125666  
1 1 1 48 23 10 o 0.560656 0.253342  -0.304505    0.605062 -0.160345    0.935751 -0.408085    0.793186 0.747657 0.327692  0.637842 0.289044  
1 1 1 48 23 11 o 2.58291  0.128289  6.71061      0.662717 7.95106      0.984284 5.68196      0.896327 2.80422  0.175501  2.36843  0.189224  
1 1 1 48 23 12 o 4.64982  0.0890135 21.6861      0.827794 21.1244      1.18235  22.2261      1.15935  4.58158  0.129033  4.70081  0.123313  
1 1 1 48 23 13 o 1.98068  0.170707  3.96861      0.676233 4.51732      0.988072 3.48514      0.927479 2.10232  0.234996  1.84368  0.251529  
1 1 1 48 23 14 o 0.848291 0.307066  0.635161     0.671357 1.1776       0.937303 0.0636822    0.962066 1.08172  0.36499   0.799378 0.34094   
1 1 1 48 23 15 o 3.56218  0.113711  12.7705      0.810115 14.5414      1.10745  10.7322      1.18815  3.79348  0.145968  3.24937  0.182828  
1 1 1 48 23 16 o 1.0534   0.302578  1.19162      0.671269 2.80346      0.913605 -0.699431    0.989575 1.61691  0.293317  0.67584  0.312044  
1 1 1 48 23 17 o 3.37967  0.117489  11.5112      0.794148 11.5707      1.10572  11.4477      1.14132  3.37601  0.163761  3.35605  0.170039  
1 1 1 48 23 18 o 1.11839  0.305789  1.36378      0.70339  1.97545      0.959429 0.652959     1.03427  1.33272  0.353915  0.94558  0.372572  
1 1 1 48 23 19 o 1.902    0.167314  3.68155      0.636462 2.35928      0.955797 4.73498      0.853117 1.45876  0.334553  2.14917  0.198476  
1 1 1 48 23 20 o 2.93566  0.123811  8.71036      0.726935 8.62183      1.03369  8.79698      1.02248  2.90439  0.177953  2.93507  0.174184  
1 1 1 48 23 21 o 1.26162  0.28621   1.74957      0.705746 2.29955      1.05241  1.30012      0.951373 1.41951  0.367794  1.09854  0.36772   
1 1 1 48 23 22 o 1.39632  0.270552  2.11947      0.728586 2.92313      1.02705  1.30532      1.03373  1.61922  0.32859   1.10662  0.382913  
1 1 1 48 23 23 o 2.05627  0.18471   4.35511      0.759625 4.1699       1.06595  4.54622      1.08279  1.97991  0.269192  2.07085  0.261436  
1 1 1 48 23 24 o 2.90643  0.141381  8.62026      0.82183  8.56667      1.16063  8.67414      1.16386  2.86775  0.202359  2.88609  0.201633  
1 1 1 48 23 25 o 0.547691 0.261259  -0.857848    0.789028 -1.57615     1.05548  0.0520367    1.18793  0.58184  0.283282  0.832063 0.366824  
1 1 1 48 23 26 o 1.52774  0.27835   2.62596      0.819004 2.82134      1.11849  2.4001       1.20257  1.52307  0.370262  1.37983  0.407812  
1 1 1 48 23 27 o 2.14282  0.188395  4.84038      0.807394 4.82608      1.0812   4.85841      1.21395  2.09303  0.258286  2.07293  0.29281   
1 1 1 48 23 28 o 0.775754 0.320883  0.44911      0.810744 -0.137863    1.0521   1.30724      1.27211  0.73068  0.331772  1.04031  0.41215   
1 1 1 48 23 29 o 1.20323  0.340993  1.85494      0.858136 1.62807      1.19106  2.09982      1.23744  1.0967   0.407432  1.2146   0.419074  
1 1 1 48 23 30 o 1.04352  0.357853  1.50718      0.90112  1.74674      1.27839  1.2706       1.2704   1.07255  0.416183  0.973295 0.402079  
1 1 1 48 23 31 o 0.672917 0.308904  -0.0802859   0.953196 0.050364     1.44002  -0.182172    1.27167  0.789299 0.369001  0.732982 0.343592  
1 1 1 48 23 32 o 1.08142  0.386288  2.04293      1.05935  0.900111     1.61414  2.9076       1.40404  0.841855 0.392444  1.1878   0.442145  
1 1 1 48 23 33 o 0.635825 0.300071  -0.170704    1.01058  -0.464706    1.50869  0.0685658    1.36104  0.693159 0.337695  0.719622 0.343239  
1 1 1 48 24 0  o 2.43354  0.161004  6.02264      0.77575  6.02264      0.77575  6.02264      0.77575  2.44397  0.11277   ?        ?         
1 1 1 48 24 1  o 3.88718  0.0843832 15.1433      0.656025 15.1493      0.958035 15.138       0.900183 3.8831   0.12336   3.88271  0.115922  
1 1 1 48 24 2  o 4.08301  0.0763934 16.7011      0.62383  15.7957      0.86957  17.6613      0.895457 3.96697  0.109601  4.1951   0.106727  
1 1 1 48 24 3  o 4.14067  0.0713634 17.1725      0.590984 17.8009      0.871849 16.6383      0.803843 4.212    0.103496  4.07275  0.0986856 
1 1 1 48 24 4  o 4.56279  0.084026  20.8659      0.766786 20.7546      1.1344   20.9596      1.04048  4.54432  0.124815  4.56862  0.113872  
1 1 1 48 24 5  o 4.39119  0.0874002 19.3306      0.767581 18.9624      1.09691  19.6839      1.07448  4.34314  0.126281  4.42588  0.121386  
1 1 1 48 24 6  o 3.91942  0.0917279 15.4055      0.719039 15.8605      1.0635   15.0223      0.975887 3.97038  0.13393   3.86537  0.126235  
1 1 1 48 24 7  o 4.64808  0.0871562 21.6625      0.810219 22.1186      1.19088  21.2694      1.10552  4.68965  0.126969  4.60011  0.120162  
1 1 1 48 24 8  o 5.22501  0.0864476 27.3743      0.903379 27.5607      1.33047  27.2148      1.23052  5.23451  0.127086  5.2036   0.118237  
1 1 1 48 24 9  o 5.28965  0.0898181 28.0613      0.950213 28.5316      1.33344  27.5761      1.35441  5.32643  0.125172  5.23548  0.12935   
1 1 1 48 24 10 o 2.16042  0.151537  4.70652      0.654764 6.36766      1.00692  3.48949      0.861865 2.50487  0.200992  1.84963  0.232983  
1 1 1 48 24 11 o 2.14653  0.151152  4.64843      0.648907 4.8941       0.969668 4.44918      0.873268 2.19153  0.221231  2.09168  0.208748  
1 1 1 48 24 12 o 6.09048  0.0926424 37.221       1.12847  39.1405      1.69719  35.6999      1.51082  6.23308  0.136144  5.95573  0.126837  
1 1 1 48 24 13 o 4.85481  0.102619  23.6741      0.996396 23.3153      1.46736  23.9811      1.3573   4.80479  0.152698  4.87697  0.139154  
1 1 1 48 24 14 o 3.44566  0.114134  11.9493      0.786532 12.2477      1.04998  11.5679      1.18729  3.48022  0.150849  3.37555  0.175866  
1 1 1 48 24 15 o 2.00345  0.168081  4.07148      0.673485 4.67573      0.930794 3.40752      0.975694 2.13671  0.21781   1.81285  0.269105  
1 1 1 48 24 16 o 0.964704 0.309964  0.968885     0.677288 0.723911     0.934344 1.24014      0.983182 0.939444 0.357958  1.09778  0.373816  
1 1 1 48 24 17 o 0.70196  0.29441   0.132951     0.697447 0.0947536    0.96531  0.174668     1.0088   0.799032 0.341176  0.830864 0.351534  
1 1 1 48 24 18 o 3.66077  0.109124  13.5004      0.798955 12.2835      1.08322  14.9522      1.18317  3.4784   0.155707  3.83827  0.154127  
1 1 1 48 24 19 o 1.06265  0.271452  1.22972      0.579068 2.0541       0.943097 0.730842     0.733646 1.35379  0.346777  0.88577  0.320959  
1 1 1 48 24 20 o 0.919701 0.307666  0.875379     0.666003 0.149434     0.981034 1.49596      0.907051 0.808103 0.344462  1.15967  0.356573  
1 1 1 48 24 21 o 1.6369   0.217351  2.77642      0.711562 2.34094      1.06719  3.12498      0.954771 1.43008  0.370291  1.7176   0.277937  
1 1 1 48 24 22 o 1.76528  0.203928  3.22939      0.719981 2.63794      1.01161  3.83653      1.02494  1.52382  0.340576  1.89949  0.269792  
1 1 1 48 24 23 o 1.62104  0.22835   2.75746      0.740332 3.02327      1.0419   2.48639      1.05215  1.63397  0.330376  1.46253  0.361339  
1 1 1 48 24 24 o 0.660877 0.291696  -0.0820607   0.75416  0.660121     1.05054  -0.87124     1.0833   0.916445 0.370203  0.667717 0.313817  
1 1 1 48 24 25 o 0.782484 0.317847  0.419681     0.780191 -0.0960357   1.04648  1.06505      1.17065  0.761038 0.338892  1.02378  0.398053  
1 1 1 48 24 26 o 1.01977  0.330203  1.21313      0.767541 1.75407      1.03667  0.556843     1.14187  1.19033  0.383585  0.897361 0.376552  
1 1 1 48 24 27 o 0.876274 0.335822  0.793325     0.826265 0.561069     1.11115  1.08061      1.23579  0.87468  0.369447  1.00046  0.402602  
1 1 1 48 24 28 o 0.502053 0.246695  -1.40356     0.851193 -0.875889    1.2292   -1.88973     1.17986  0.687086 0.327265  0.581368 0.286339  
1 1 1 48 24 29 o 2.70499  0.172473  7.81742      0.933077 8.18407      1.2851   7.4086       1.35698  2.6899   0.238875  2.52012  0.269228  
1 1 1 48 24 30 o 1.19941  0.354092  2.0198       0.907101 1.32079      1.29613  2.69085      1.26994  0.96981  0.403714  1.29362  0.424847  
1 1 1 48 24 31 o 1.99095  0.273239  4.93718      1.08801  3.98852      1.5752   5.80269      1.50459  1.4384   0.473161  1.95501  0.398614  
1 1 1 48 24 32 o 0.522171 0.259215  -1.42702     1.033    -2.4732      1.5589   -0.608016    1.3793   0.581298 0.29295   0.661144 0.32224   
1 1 1 48 24 33 o 0.88629  0.373198  1.54944      1.12809  2.93073      1.82222  0.691098     1.43644  0.978919 0.44114   0.755602 0.356992  
1 1 1 48 25 0  o 0.435614 0.293605  -0.242851    0.711618 -0.242851    0.711618 -0.242851    0.711618 0.352891 0.240997  ?        ?         
1 1 1 48 25 1  o 3.09127  0.0954758 9.58487      0.590282 11.5692      0.868591 7.88196      0.804642 3.39202  0.128035  2.79777  0.143801  
1 1 1 48 25 2  o 5.45659  0.0728972 29.8275      0.79554  28.8128      1.13443  30.8093      1.11592  5.35758  0.105872  5.54109  0.100695  
1 1 1 48 25 3  o 6.45374  0.0778199 41.7367      1.00446  42.5997      1.39672  40.8123      1.44558  6.51397  0.10721   6.37436  0.11339   
1 1 1 48 25 4  o 3.89657  0.0893833 15.2255      0.696576 15.219       1.0097   15.2315      0.962232 3.88966  0.129792  3.89232  0.123607  
1 1 1 48 25 5  o 2.86347  0.109597  8.2348       0.627656 9.01773      0.928688 7.57647      0.851592 2.98997  0.155301  2.74063  0.155365  
1 1 1 48 25 6  o 4.74154  0.0863173 22.5426      0.818554 23.2236      1.18334  21.9177      1.13349  4.8059   0.123113  4.66918  0.12138   
1 1 1 48 25 7  o 2.28017  0.143126  5.23737      0.652704 5.48203      0.992876 5.05117      0.866168 2.32225  0.213774  2.23233  0.194005  
1 1 1 48 25 8  o 1.11039  0.281028  1.31636      0.624962 1.163        0.906332 1.45539      0.862924 1.07609  0.35891   1.17016  0.345331  
1 1 1 48 25 9  o 7.24415  0.0910252 52.6414      1.3188   51.2175      1.86286  54.0721      1.86728  7.13367  0.130568  7.33091  0.127356  
1 1 1 48 25 10 o 2.31947  0.14315   5.42353      0.664063 5.70941      1.02066  5.21369      0.874454 2.36778  0.215531  2.26673  0.192889  
1 1 1 48 25 11 o 1.28185  0.259836  1.74451      0.642909 0.170197     0.971235 2.97235      0.857729 0.82603  0.34698   1.70234  0.251927  
1 1 1 48 25 12 o 3.11474  0.121556  9.76393      0.757232 9.49871      1.08418  10.0165      1.05807  3.06109  0.177091  3.1455   0.168188  
1 1 1 48 25 13 o 1.65274  0.198332  2.785        0.65558  2.81338      0.879042 2.74944      0.984087 1.64862  0.266599  1.59333  0.32008   
1 1 1 48 25 14 o 3.48752  0.110704  12.2386      0.772167 12.398       1.05387  12.0539      1.13461  3.50093  0.150513  3.44819  0.164523  
1 1 1 48 25 15 o 2.10512  0.161042  4.49532      0.678026 3.67827      0.950684 5.34115      0.967279 1.88475  0.252204  2.2827   0.211871  
1 1 1 48 25 16 o 2.43913  0.153103  6.03088      0.746875 6.50025      1.0319   5.51445      1.08239  2.5188   0.20484   2.31147  0.234135  
1 1 1 48 25 17 o 1.59963  0.21869   2.63422      0.699647 2.71564      0.977748 2.54879      1.00158  1.57336  0.321828  1.51671  0.338812  
1 1 1 48 25 18 o 2.89711  0.13069   8.48847      0.757243 9.82883      1.06118  7.09783      1.0809   3.10504  0.17088   2.6274   0.205698  
1 1 1 48 25 19 o 1.45475  0.263567  2.28455      0.738653 2.25091      0.992968 2.32622      1.10526  1.4104   0.352605  1.42453  0.380575  
1 1 1 48 25 20 o 3.0995   0.121601  9.71501      0.753804 8.99553      1.05344  10.47        1.0791   2.9638   0.177718  3.20127  0.168543  
1 1 1 48 25 21 o 1.60794  0.217651  2.68706      0.699942 2.19239      1.06318  3.06547      0.929889 1.37743  0.375651  1.69897  0.273663  
1 1 1 48 25 22 o 1.53402  0.23603   2.46932      0.724153 4.18751      1.07194  1.0269       0.982155 1.98298  0.270285  1.0125   0.370919  
1 1 1 48 25 23 o 3.15192  0.131229  10.1172      0.827245 11.7214      1.16074  8.46123      1.17928  3.37082  0.172175  2.8444   0.207299  
1 1 1 48 25 24 o 1.50454  0.273667  2.52706      0.793056 3.31512      1.0592   1.52165      1.19639  1.69673  0.323738  1.14257  0.410275  
1 1 1 48 25 25 o 1.22259  0.312245  1.74698      0.766308 1.10236      1.04456  2.49823      1.12765  1.01101  0.380365  1.41809  0.386932  
1 1 1 48 25 26 o 0.852845 0.331145  0.700776     0.809614 1.22629      1.11951  0.124593     1.17224  1.03293  0.392338  0.818634 0.362195  
1 1 1 48 25 27 o 2.04787  0.219776  4.5654       0.900147 3.67274      1.27186  5.46128      1.27415  1.67876  0.386547  2.17195  0.293319  
1 1 1 48 25 28 o 0.685887 0.303479  0.0560367    0.823139 0.634313     1.14264  -0.567811    1.18681  0.872972 0.371921  0.702937 0.329943  
1 1 1 48 25 29 o 0.945718 0.351561  1.17941      0.887078 1.80285      1.29523  0.628623     1.21742  1.08374  0.419247  0.852595 0.373728  
1 1 1 48 25 30 o 0.746219 0.327222  0.377668     0.934011 0.438237     1.38366  0.326966     1.26596  0.828903 0.377462  0.797054 0.362447  
1 1 1 48 25 31 o 0.650265 0.308696  -0.266106    1.08561  0.770352     1.60502  -1.14015     1.47391  0.830271 0.388624  0.651977 0.321132  
1 1 1 48 25 32 o 0.718319 0.326311  0.396298     1.02037  0.180574     1.46459  0.599761     1.42237  0.746531 0.35607   0.785797 0.367118  
1 1 1 48 26 0  f 4.7259   0.106093  22.4132      1.00163  22.4132      1.00163  22.4132      1.00163  4.73007  0.0749103 ?        ?         
1 1 1 48 26 1  o 2.22139  0.118944  4.9598       0.528444 4.40978      0.736427 5.54365      0.758738 2.0882   0.176331  2.34338  0.16189   
1 1 1 48 26 2  o 2.80643  0.0911551 7.89966      0.511641 7.74286      0.712458 8.06664      0.735218 2.77431  0.128403  2.83154  0.129827  
1 1 1 48 26 3  o 2.80377  0.108418  7.89437      0.607957 8.12544      0.885921 7.68869      0.835826 2.83801  0.156081  2.76141  0.15134   
1 1 1 48 26 4  o 2.21058  0.133165  4.91776      0.588743 4.82161      0.859623 5.0027       0.80799  2.18054  0.197113  2.22342  0.181699  
1 1 1 48 26 5  o 3.04042  0.109527  9.28386      0.666014 9.1403       0.924092 9.43903      0.960748 3.01051  0.153478  3.0587   0.157052  
1 1 1 48 26 6  o 5.42376  0.0862778 29.4962      0.935899 30.1011      1.33625  28.9138      1.31123  5.47159  0.122108  5.36256  0.122258  
1 1 1 48 26 7  o 2.21261  0.14518   4.93433      0.642456 4.41208      0.935832 5.39987      0.883559 2.08076  0.224878  2.30788  0.191423  
1 1 1 48 26 8  o 1.75583  0.17656   3.12059      0.620021 3.17949      0.916198 3.07083      0.842158 1.75991  0.260297  1.73244  0.243055  
1 1 1 48 26 9  o 5.04659  0.0845971 25.5407      0.853854 25.7424      1.23176  25.3542      1.18468  5.05871  0.121747  5.02132  0.117965  
1 1 1 48 26 10 o 2.71438  0.124964  7.41429      0.678401 8.127        1.02454  6.85783      0.905295 2.83192  0.180892  2.60271  0.173914  
1 1 1 48 26 11 o 1.14436  0.289605  1.41104      0.663727 2.14427      0.975558 0.779142     0.905641 1.39928  0.349303  0.95399  0.355104  
1 1 1 48 26 12 o 7.69961  0.0971532 59.5637      1.49608  63.3676      2.11508  55.7547      2.11648  7.92538  0.133437  7.42954  0.142437  
1 1 1 48 26 13 o 2.40845  0.137395  5.85664      0.661816 6.23098      0.895737 5.40663      0.982113 2.47552  0.180919  2.29849  0.213643  
1 1 1 48 26 14 o 0.773964 0.301158  0.425452     0.670366 0.832013     0.929728 -0.0147985   0.967481 0.968521 0.359938  0.779352 0.337344  
1 1 1 48 26 15 o 1.59141  0.217904  2.60286      0.69355  2.19577      0.963929 3.0398       0.998648 1.40708  0.344765  1.6742   0.309902  
1 1 1 48 26 16 o 1.15952  0.299371  1.47056      0.698835 2.00352      0.97251  0.901506     1.00489  1.33944  0.356603  1.00071  0.373746  
1 1 1 48 26 17 f 4.0501   0.110485  16.5349      0.894953 16.801       1.22675  16.2322      1.30851  4.06849  0.150762  3.99369  0.163823  
1 1 1 48 26 18 o 0.896662 0.318529  0.78083      0.719419 1.83365      0.979323 -0.453353    1.06032  1.2738   0.365334  0.732075 0.332581  
1 1 1 48 26 19 o 1.42032  0.272547  2.19062      0.746587 1.67348      1.00702  2.82179      1.11251  1.21896  0.375894  1.57705  0.360433  
1 1 1 48 26 20 o 0.912939 0.300432  0.87423      0.635054 0.346261     0.958589 1.2872       0.847788 0.840569 0.348379  1.08319  0.346666  
1 1 1 48 26 21 o 2.95597  0.132132  8.872        0.781157 7.51019      1.1027   10.2438      1.10675  2.69119  0.204873  3.1582   0.175219  
1 1 1 48 26 22 o 1.80531  0.20919   3.40404      0.755306 3.37769      1.04649  3.43268      1.09124  1.7341   0.313208  1.74156  0.325373  
1 1 1 48 26 23 o 0.873597 0.332422  0.713493     0.804898 0.579089     1.08753  0.876293     1.19691  0.905321 0.372741  0.991896 0.397434  
1 1 1 48 26 24 o 0.539988 0.256114  -0.754249    0.745772 -1.52997     1.00065  0.215004     1.11853  0.562481 0.274208  0.835483 0.362197  
1 1 1 48 26 25 o 1.8846   0.223949  3.81155      0.844105 3.72558      1.17912  3.90192      1.20893  1.76412  0.346545  1.80574  0.347132  
1 1 1 48 26 26 o 0.944198 0.345405  1.02091      0.851424 1.13249      1.2307   0.918492     1.17915  1.00747  0.403283  0.955812 0.389914  
1 1 1 48 26 27 o 0.658855 0.295338  -0.0746248   0.806571 0.276188     1.13044  -0.438423    1.15117  0.81428  0.358509  0.714312 0.33238   
1 1 1 48 26 28 o 0.760369 0.321561  0.43773      0.843482 -0.234535    1.21714  1.05891      1.16998  0.739165 0.343106  0.941609 0.386966  
1 1 1 48 26 29 o 1.43409  0.319985  2.68599      0.894215 3.3292       1.2625   2.03845      1.26673  1.47792  0.411922  1.1258   0.41979   
1 1 1 48 26 30 o 1.481    0.36904   3.25372      1.0904   3.10997      1.52455  3.40426      1.56018  1.25426  0.461868  1.30843  0.468648  
1 1 1 48 26 31 o 0.91053  0.367018  1.42346      1.0294   0.206406     1.5601   2.36193      1.36996  0.754047 0.361518  1.05061  0.423433  
1 1 1 48 26 32 o 1.11435  0.391984  2.41233      1.08708  1.97664      1.65858  2.74045      1.43935  0.903231 0.411833  1.05777  0.431031  
1 1 1 48 27 0  o 2.71388  0.148394  7.45955      0.79994  7.45955      0.79994  7.45955      0.79994  2.7226   0.104226  ?        ?         
1 1 1 48 27 1  o 1.05442  0.239471  1.17834      0.493616 1.37189      0.678699 0.960998     0.719218 1.13262  0.296248  0.97704  0.319721  
1 1 1 48 27 2  o 2.72704  0.0928001 7.45985      0.50614  7.22359      0.712454 7.70058      0.719174 2.67907  0.132967  2.7665   0.129979  
1 1 1 48 27 3  o 1.90049  0.151764  3.64227      0.576853 2.38779      0.843146 4.74621      0.790942 1.4984   0.291759  2.16531  0.182639  
1 1 1 48 27 4  o 3.11677  0.105692  9.75472      0.658834 10.6922      0.965346 8.93733      0.901401 3.2565   0.148218  2.97677  0.151406  
1 1 1 48 27 5  o 2.3413   0.137022  5.52105      0.641618 4.95043      0.903678 6.10113      0.911137 2.20728  0.204704  2.45387  0.185653  
1 1 1 48 27 6  o 2.62678  0.123963  6.9418       0.651247 6.30166      0.928106 7.56271      0.914058 2.49333  0.186118  2.73501  0.167103  
1 1 1 48 27 7  o 1.92851  0.167786  3.76083      0.647152 2.68645      0.959304 4.65813      0.876688 1.58315  0.314138  2.14039  0.204797  
1 1 1 48 27 8  o 4.3992   0.0894319 19.4152      0.786858 20.3093      1.16614  18.6679      1.06614  4.49123  0.129824  4.30725  0.123761  
1 1 1 48 27 9  o 1.91105  0.165573  3.69525      0.632837 3.41449      0.911807 3.95619      0.879026 1.82327  0.250046  1.96784  0.223348  
1 1 1 48 27 10 o 2.57657  0.137193  6.69931      0.706976 6.42431      1.04364  6.93253      0.961085 2.5086   0.208012  2.61175  0.183993  
1 1 1 48 27 11 o 1.34941  0.26013   1.9402       0.676991 0.724395     0.982608 3.03882      0.934056 0.955361 0.366193  1.71155  0.272868  
1 1 1 48 27 12 o 6.01927  0.0951919 36.4028      1.14597  40.7676      1.54894  31.1244      1.70335  6.36036  0.121765  5.54484  0.153597  
1 1 1 48 27 13 o 0.776615 0.294488  0.477283     0.629861 0.322414     0.869868 0.647978     0.913229 0.816414 0.334279  0.912579 0.352242  
1 1 1 48 27 14 o 2.28759  0.156508  5.30819      0.716051 6.96004      0.996573 3.54527      1.02953  2.61043  0.190883  1.84114  0.279591  
1 1 1 48 27 15 o 1.21957  0.293717  1.62481      0.708929 1.78963      0.995323 1.45509      1.00999  1.26815  0.369808  1.16196  0.378879  
1 1 1 48 27 16 o 2.69385  0.14097   7.35122      0.759501 7.2254       1.00879  7.51587      1.15399  2.6567   0.189857  2.70127  0.213601  
1 1 1 48 27 17 o 3.35602  0.11738   11.3747      0.787859 11.2466      1.08242  11.519       1.14896  3.32207  0.162913  3.35885  0.171034  
1 1 1 48 27 18 o 2.73644  0.142761  7.60327      0.781314 8.04821      1.06796  7.09087      1.14606  2.79875  0.190792  2.61592  0.219056  
1 1 1 48 27 19 o 0.627052 0.28107   -0.246499    0.730445 -1.45324     1.00787  1.08861      1.06012  0.584636 0.282645  1.05042  0.385307  
1 1 1 48 27 20 o 1.13405  0.313828  1.44313      0.735422 1.42484      1.02258  1.46272      1.05844  1.13353  0.381232  1.14729  0.387859  
1 1 1 48 27 21 o 1.84424  0.19792   3.52928      0.730021 3.39149      0.995177 3.68981      1.07415  1.776    0.280174  1.84752  0.290701  
1 1 1 48 27 22 o 1.09372  0.330759  1.37641      0.784822 1.85023      1.09024  0.866799     1.13068  1.24058  0.392729  0.980324 0.388507  
1 1 1 48 27 23 o 0.791437 0.319022  0.454456     0.777798 0.129193     1.10051  0.779085     1.09944  0.816999 0.356747  0.947221 0.380335  
1 1 1 48 27 24 o 1.55762  0.259552  2.65023      0.808567 2.02554      1.10038  3.38341      1.1921   1.27137  0.393108  1.66841  0.367179  
1 1 1 48 27 25 o 0.930628 0.342368  0.959307     0.837534 0.913349     1.21309  1.00117      1.15775  0.968234 0.395317  0.979759 0.391582  
1 1 1 48 27 26 o 0.928527 0.343631  0.99525      0.845623 2.41329      1.25727  -0.17615     1.14271  1.31496  0.422298  0.749975 0.341923  
1 1 1 48 27 27 o 0.576746 0.271458  -0.580468    0.816357 -0.0562399   1.16439  -1.08726     1.14487  0.760813 0.346404  0.632812 0.304915  
1 1 1 48 27 28 o 0.909409 0.3423    1.06074      0.846147 1.93998      1.26325  0.345265     1.13955  1.11616  0.418614  0.79187  0.353103  
1 1 1 48 27 29 o 0.670749 0.307664  -0.0769509   0.943474 0.0179455    1.27747  -0.190825    1.39939  0.758179 0.351769  0.756192 0.35577   
1 1 1 48 27 30 o 0.835144 0.35436   0.995112     1.02991  1.17275      1.51913  0.844013     1.40105  0.873413 0.397135  0.828102 0.377829  
1 1 1 48 27 31 o 0.620802 0.294995  -0.289935    0.993509 -0.835064    1.39848  0.265529     1.41168  0.652301 0.319263  0.750388 0.35429   
1 1 1 48 27 32 o 1.01292  0.393235  2.35133      1.14159  2.02393      1.87414  2.54446      1.43945  0.827    0.396432  0.94755  0.410833  
1 1 1 48 28 0  o 1.03569  0.393539  1.48259      0.762745 1.48259      0.762745 1.48259      0.762745 1.12201  0.277985  ?        ?         
1 1 1 48 28 1  o 5.15627  0.0747409 26.6453      0.770768 25.141       1.05544  28.3643      1.12827  5.0032   0.105476  5.3141   0.106158  
1 1 1 48 28 2  o 3.59577  0.0787318 12.9612      0.566203 11.7885      0.803807 14.1161      0.79769  3.42415  0.117373  3.74878  0.106393  
1 1 1 48 28 3  o 3.96308  0.0932256 15.7601      0.738921 15.5469      1.06116  15.9607      1.02955  3.92877  0.135049  3.98191  0.129278  
1 1 1 48 28 4  o 2.58564  0.128458  6.72941      0.664292 5.29613      0.970093 7.99489      0.91154  2.28082  0.212663  2.81281  0.162034  
1 1 1 48 28 5  o 3.01825  0.116892  9.15968      0.70562  9.24714      1.0185   9.07895      0.978494 3.02366  0.168422  2.99707  0.163242  
1 1 1 48 28 6  o 3.92509  0.0943187 15.4616      0.740418 15.5058      1.06124  15.4197      1.03353  3.92312  0.135255  3.91289  0.132067  
1 1 1 48 28 7  o 8.06789  0.093945  65.3381      1.51588  63.2898      2.11702  67.4933      2.17157  7.92493  0.133567  8.1843   0.132667  
1 1 1 48 28 8  o 4.71748  0.0911207 22.3418      0.859721 22.91        1.24984  21.8314      1.18445  4.76722  0.131086  4.65473  0.127231  
1 1 1 48 28 9  o 0.737713 0.290537  0.351685     0.62868  0.672836     0.929014 0.0803657    0.853903 0.927599 0.355918  0.757373 0.322058  
1 1 1 48 28 10 o 1.45316  0.222937  2.16494      0.647925 1.2919       0.945182 2.93887      0.88992  1.11271  0.366521  1.68474  0.264112  
1 1 1 48 28 11 o 1.18701  0.255824  1.51124      0.589992 1.15026      0.78213  1.98785      0.898715 1.04473  0.332832  1.34431  0.335071  
1 1 1 48 28 12 o 4.14899  0.0988977 17.3103      0.820652 17.0108      1.12964  17.6451      1.19421  4.10217  0.137688  4.17619  0.142978  
1 1 1 48 28 13 o 1.77377  0.183184  3.20849      0.649852 2.47193      0.88495  4.07055      0.957377 1.50806  0.30407   1.98378  0.241301  
1 1 1 48 28 14 o 0.590538 0.268071  -0.34344     0.68591  -0.983448    0.95963  0.325065     0.980761 0.621184 0.29294   0.852051 0.352715  
1 1 1 48 28 15 o 1.56712  0.223359  2.53622      0.700062 1.02421      0.93261  4.48794      1.05957  1.01835  0.362575  2.07438  0.255395  
1 1 1 48 28 16 o 3.20394  0.121473  10.3739      0.778385 10.6021      1.04769  10.0927      1.16291  3.22579  0.162393  3.13858  0.18526   
1 1 1 48 28 17 o 1.11261  0.310071  1.36985      0.715395 3.04815      0.977728 -0.563982    1.04953  1.66719  0.304537  0.710736 0.325373  
1 1 1 48 28 18 o 2.36718  0.165264  5.7212       0.78242  5.6922       1.07313  5.75411      1.14321  2.33892  0.229408  2.34575  0.243677  
1 1 1 48 28 19 o 1.69123  0.22172   2.98307      0.749959 2.36776      1.03575  3.6612       1.08734  1.433    0.36125   1.84501  0.294669  
1 1 1 48 28 20 o 0.569764 0.266258  -0.606532    0.748795 -2.42452     1.04487  1.31289      1.07363  0.515905 0.256733  1.10152  0.38934   
1 1 1 48 28 21 o 1.6829   0.232625  2.99879      0.782973 2.40993      1.04952  3.73788      1.17579  1.42556  0.36621   1.80406  0.338361  
1 1 1 48 28 22 f 2.93456  0.142756  8.82582      0.837855 8.67621      1.15866  8.9898       1.21302  2.87551  0.20147   2.92284  0.207508  
1 1 1 48 28 23 o 0.846226 0.323625  0.672014     0.766015 1.08395      1.07704  0.250343     1.08969  1.01054  0.384532  0.83124  0.358886  
1 1 1 48 28 24 o 0.851519 0.33509   0.671597     0.835659 0.772095     1.1562   0.561677     1.20918  0.936787 0.384781  0.905008 0.383982  
1 1 1 48 28 25 o 0.946801 0.347274  1.04219      0.861153 1.17064      1.23331  0.919995     1.20297  1.00964  0.403893  0.953925 0.392266  
1 1 1 48 28 26 o 0.922111 0.33862   0.994986     0.818979 1.24996      1.18724  0.763507     1.13121  1.01266  0.39912   0.902664 0.376548  
1 1 1 48 28 27 o 0.780504 0.328848  0.508656     0.876754 -0.00723345  1.22819  1.04472      1.25198  0.768021 0.351758  0.940007 0.394361  
1 1 1 48 28 28 o 0.650469 0.301205  -0.213764    0.930749 0.829507     1.27309  -1.41165     1.36418  0.879813 0.383943  0.644342 0.315357  
1 1 1 48 28 29 o 0.891109 0.371542  1.16156      1.10048  0.853279     1.5881   1.44633      1.52637  0.865355 0.397864  0.940555 0.415081  
1 1 1 48 28 30 o 0.504453 0.250528  -1.42686     0.970185 0.13983      1.4078   -2.84394     1.33889  0.73107  0.348791  0.518646 0.262216  
1 1 1 48 28 31 o 0.573387 0.27974   -0.726177    1.04877  -1.05586     1.61753  -0.487053    1.37758  0.649166 0.322546  0.652863 0.318913  
1 1 1 48 29 0  o 5.15366  0.112031  26.6648      1.15351  26.6648      1.15351  26.6648      1.15351  5.1587   0.0790981 ?        ?         
1 1 1 48 29 1  o 2.64586  0.107726  7.0333       0.570056 6.26948      0.769905 7.96021      0.84812  2.49182  0.154486  2.80839  0.150998  
1 1 1 48 29 2  o 4.56564  0.0766428 20.8944      0.699846 21.4458      1.01443  20.3936      0.966757 4.61961  0.109796  4.50536  0.10729   
1 1 1 48 29 3  o 1.61131  0.196928  2.63778      0.634625 2.2748       0.925255 2.96025      0.872093 1.44953  0.326935  1.69739  0.256892  
1 1 1 48 29 4  o 3.89016  0.0966984 15.194       0.752344 16.1195      1.08701  14.3429      1.04235  3.999    0.13591   3.7717   0.13818   
1 1 1 48 29 5  o 1.40366  0.224762  2.01529      0.630978 1.5254       0.905978 2.47675      0.879296 1.19051  0.35444   1.51938  0.300039  
1 1 1 48 29 6  o 3.29146  0.105444  10.8921      0.694127 10.7722      0.995654 11.0055      0.968209 3.26385  0.152528  3.30038  0.146681  
1 1 1 48 29 7  o 4.31601  0.0919779 18.7067      0.793954 17.8276      1.12402  19.5821      1.12163  4.20364  0.133696  4.40746  0.127242  
1 1 1 48 29 8  o 4.5548   0.0943052 20.8396      0.859083 21.5062      1.26376  20.2669      1.17135  4.61566  0.136899  4.48258  0.130656  
1 1 1 48 29 9  o 1.07276  0.289007  1.24235      0.634071 1.57909      0.93908  0.960189     0.859604 1.20481  0.361297  0.993248 0.348648  
1 1 1 48 29 10 o 2.07922  0.139721  4.37012      0.581022 4.08866      0.787797 4.70582      0.860367 2.00049  0.196901  2.14533  0.200521  
1 1 1 48 29 11 o 1.57448  0.20649   2.54008      0.65023  2.7045       0.885069 2.34728      0.958433 1.58449  0.290093  1.45896  0.335296  
1 1 1 48 29 12 o 1.70086  0.19119   2.95598      0.650375 3.43271      0.912643 2.46406      0.927064 1.81887  0.250882  1.49935  0.318729  
1 1 1 48 29 13 o 0.99957  0.282597  1.07917      0.590075 0.959384     0.766199 1.25377      0.925051 0.971181 0.329999  1.08979  0.362597  
1 1 1 48 29 14 o 0.840217 0.304361  0.647893     0.659686 -0.130583    0.86542  1.72762      1.0192   0.712611 0.313715  1.2444   0.377047  
1 1 1 48 29 15 o 1.72463  0.199405  3.05955      0.687799 3.91613      0.90756  1.90375      1.05422  1.94117  0.233766  1.29603  0.381446  
1 1 1 48 29 16 o 0.718413 0.294424  0.249022     0.675435 0.00362702   0.904118 0.558953     1.01607  0.750646 0.325531  0.908365 0.365259  
1 1 1 48 29 17 o 2.419    0.158896  5.96496      0.768736 6.40211      1.03863  5.43538      1.14319  2.48893  0.20865   2.27689  0.251042  
1 1 1 48 29 18 o 0.880766 0.321781  0.736562     0.73873  1.34296      1.03187  0.0989797    1.05807  1.11147  0.382763  0.818516 0.353519  
1 1 1 48 29 19 o 1.41327  0.274165  2.19058      0.747281 3.34148      1.04141  0.968949     1.07293  1.73326  0.311771  1.01179  0.384152  
1 1 1 48 29 20 o 1.48694  0.272506  2.44237      0.780188 2.60125      1.09847  2.28064      1.1083   1.48212  0.371064  1.38004  0.386373  
1 1 1 48 29 21 o 2.63681  0.162379  7.17139      0.856324 7.59549      1.25194  6.79852      1.17388  2.67012  0.234435  2.52762  0.232211  
1 1 1 48 29 22 o 0.785367 0.316598  0.449924     0.766098 -0.300574    1.05496  1.28728      1.11433  0.729856 0.331617  1.06994  0.394768  
1 1 1 48 29 23 f 0.903441 0.331845  0.867292     0.786575 0.11758      1.11743  1.60362      1.10741  0.808696 0.356244  1.14072  0.396168  
1 1 1 48 29 24 o 2.43006  0.188133  6.25785      0.914346 4.75602      1.3427   7.55654      1.24859  1.967    0.354224  2.62569  0.237764  
1 1 1 48 29 25 o 1.72018  0.255362  3.32431      0.878538 3.17395      1.20735  3.49351      1.28077  1.54732  0.390006  1.61769  0.398052  
1 1 1 48 29 26 o 2.19995  0.210528  5.3147       0.926303 6.29554      1.34521  4.43027      1.27739  2.30079  0.292337  1.84667  0.358665  
1 1 1 48 29 27 o 2.29472  0.203148  5.84404      0.932336 5.62019      1.30475  6.07759      1.33274  2.12015  0.307703  2.21442  0.300922  
1 1 1 48 29 28 o 1.82017  0.287611  4.10766      1.047    3.45683      1.48162  4.75685      1.47975  1.4      0.458891  1.7478   0.426495  
1 1 1 48 29 29 o 0.816248 0.350026  0.912811     1.02372  1.95988      1.53456  0.0731551    1.37419  0.977974 0.424109  0.734201 0.34796   
1 1 1 48 29 30 o 1.06069  0.379363  1.98335      1.022    2.41159      1.50099  1.61323      1.39543  1.03803  0.433428  0.91929  0.401561  
1 1 1 48 29 31 o 0.641759 0.30425   0.153254     1.05142  -0.83927     1.54382  1.01187      1.4359   0.622371 0.31004   0.752879 0.35628   
1 1 1 48 30 0  o 0.950489 0.422574  1.3466       0.843897 1.3466       0.843897 1.3466       0.843897 1.02135  0.331456  ?        ?         
1 1 1 48 30 1  o 2.07375  0.134959  4.33792      0.559742 4.50866      0.801497 4.17537      0.78205  2.10527  0.190355  2.02547  0.193054  
1 1 1 48 30 2  o 1.58671  0.146251  2.54391      0.464114 3.18287      0.654153 1.89627      0.658583 1.76947  0.184845  1.33566  0.255656  
1 1 1 48 30 3  o 0.978606 0.295323  1.01206      0.626107 0.155728     0.906083 1.7946       0.866163 0.794474 0.334498  1.28107  0.334482  
1 1 1 48 30 4  o 2.15034  0.148041  4.67463      0.636679 5.00874      0.932863 4.3833       0.871106 2.21373  0.210699  2.07099  0.210312  
1 1 1 48 30 5  o 2.07948  0.157095  4.37798      0.653351 4.51055      0.941835 4.255        0.9071   2.09742  0.224522  2.03757  0.222593  
1 1 1 48 30 6  o 2.51632  0.131789  6.38777      0.663249 6.3098       0.940437 6.46492      0.935534 2.48945  0.188884  2.52065  0.185574  
1 1 1 48 30 7  o 2.87171  0.1205    8.30957      0.692081 8.75563      0.995017 7.89153      0.963256 2.93691  0.169399  2.78738  0.172789  
1 1 1 48 30 8  o 4.80181  0.0926594 23.1664      0.889866 23.4228      1.2967   22.9382      1.22341  4.81564  0.134634  4.76773  0.128301  
1 1 1 48 30 9  o 4.01703  0.108634  16.2457      0.872772 15.6009      1.3734   16.6824      1.13037  3.91532  0.175388  4.06186  0.139144  
1 1 1 48 30 10 o 1.16908  0.321833  1.49717      0.775892 1.63611      1.17787  1.39066      1.03125  1.2318   0.409156  1.14663  0.382845  
1 1 1 48 30 11 o 3.91863  0.124931  15.501       0.97912  18.5174      1.39115  12.54        1.37831  4.26877  0.162945  3.50006  0.196898  
1 1 1 48 30 12 o 2.38236  0.171586  5.78133      0.81756  5.78657      1.12928  5.77556      1.18515  2.36282  0.238968  2.35611  0.251506  
1 1 1 48 30 13 o 1.02249  0.328466  1.11368      0.760584 0.759297     1.06629  1.48076      1.08522  0.974074 0.379655  1.17168  0.392735  
1 1 1 48 30 14 o 3.15522  0.13852   10.0948      0.874121 9.99532      1.20346  10.206       1.27176  3.1196   0.192886  3.1483   0.201975  
1 1 1 48 30 15 o 1.11458  0.273915  1.3618       0.607071 2.14082      0.789192 0.232788     0.950075 1.39604  0.292095  0.814733 0.342751  
1 1 1 48 30 16 o 3.05656  0.12639   9.45711      0.772634 9.82407      1.04235  9.00963      1.15106  3.10085  0.168075  2.95889  0.194508  
1 1 1 48 30 17 o 0.777547 0.308814  0.419374     0.715818 0.250826     0.990456 0.603671     1.0357   0.82704  0.34904   0.918067 0.368932  
1 1 1 48 30 18 o 2.31176  0.168523  5.47848      0.779167 5.75409      1.07995  5.17924      1.12527  2.34421  0.230343  2.21322  0.254216  
1 1 1 48 30 19 o 1.42877  0.27889   2.26425      0.768507 2.09262      1.10733  2.42375      1.06743  1.3245   0.39129   1.43278  0.370025  
1 1 1 48 30 20 f 0.900833 0.329586  0.820914     0.775243 -0.313478    1.13664  1.80764      1.06008  0.759976 0.345013  1.22587  0.387176  
1 1 1 48 30 21 o 0.81229  0.322821  0.528211     0.78269  0.106365     1.14466  0.898631     1.07263  0.824974 0.361999  0.968684 0.380119  
1 1 1 48 30 22 o 0.972685 0.333622  1.07297      0.783244 0.621055     1.12335  1.50051      1.09264  0.907643 0.376713  1.11609  0.392945  
1 1 1 48 30 23 o 0.992132 0.340937  1.15995      0.818303 0.811769     1.22365  1.44163      1.10061  0.949215 0.393521  1.08283  0.393044  
1 1 1 48 30 24 o 1.39836  0.308589  2.35984      0.839892 2.41092      1.21782  2.3135       1.15987  1.32186  0.414532  1.30438  0.403653  
1 1 1 48 30 25 o 0.906763 0.340603  0.953843     0.836934 0.487333     1.1515   1.47626      1.21855  0.847996 0.367557  1.05761  0.407162  
1 1 1 48 30 26 o 0.637625 0.293323  -0.213448    0.864506 -0.341279    1.19179  -0.0714879   1.25593  0.711922 0.333523  0.760214 0.351205  
1 1 1 48 30 27 o 0.634894 0.294513  -0.241415    0.894914 -0.0563296   1.25109  -0.435342    1.28062  0.747987 0.347454  0.710754 0.336402  
1 1 1 48 30 28 f 0.777438 0.340013  0.659154     1.00299  -0.0909022   1.4338   1.37792      1.40357  0.73828  0.352175  0.916871 0.401598  
1 1 1 48 30 29 o 1.01114  0.376034  1.81749      1.01509  1.39747      1.45558  2.21515      1.41632  0.878351 0.39513   1.01145  0.421595  
1 1 1 48 30 30 o 1.34039  0.377925  3.13932      1.05672  1.9258       1.56192  4.16361      1.43498  0.894057 0.405355  1.36307  0.451611  
1 1 1 48 31 0  o 0.502448 0.3301    -0.0379481   0.80407  -0.0379481   0.80407  -0.0379481   0.80407  0.421901 0.277337  ?        ?         
1 1 1 48 31 1  o 3.9607   0.0840539 15.7434      0.665824 15.3501      0.934112 16.1495      0.949307 3.90377  0.119642  4.00439  0.118533  
1 1 1 48 31 2  o 4.18262  0.0823227 17.5546      0.688649 16.6719      0.950539 18.5298      0.999067 4.06901  0.116802  4.28984  0.116446  
1 1 1 48 31 3  o 2.16556  0.14921   4.74331      0.646244 4.71353      0.966699 4.76738      0.86895  2.14317  0.22553   2.16105  0.201048  
1 1 1 48 31 4  o 0.582957 0.260347  -0.225699    0.62162  -0.547045    0.93654  0.0273535    0.831084 0.675368 0.308422  0.735403 0.315369  
1 1 1 48 31 5  o 2.12589  0.156783  4.57951      0.666606 4.76334      0.971668 4.41606      0.916219 2.15295  0.22566   2.07416  0.220866  
1 1 1 48 31 6  f 1.46273  0.218902  2.19708      0.640388 2.30885      0.958906 2.1071       0.860377 1.44731  0.337215  1.38755  0.316863  
1 1 1 48 31 7  o 4.47841  0.0954285 20.161       0.854735 20.9499      1.314    19.5823      1.12536  4.54986  0.144401  4.40453  0.12775   
1 1 1 48 31 8  o 5.93244  0.101469  35.4057      1.20392  37.2175      1.85871  34.0962      1.5802   6.059    0.153384  5.8078   0.136041  
1 1 1 48 31 9  o 1.8138   0.217807  3.38345      0.790114 4.41329      1.16934  2.51825      1.0718   2.05124  0.285032  1.50129  0.360884  
1 1 1 48 31 10 o 0.92252  0.335958  0.78538      0.8047   0.233325     1.18975  1.25087      1.0925   0.898901 0.381112  1.11081  0.392734  
1 1 1 48 31 11 o 1.99296  0.202248  4.07716      0.806145 3.53877      1.1433   4.60949      1.13685  1.79491  0.3309    2.09734  0.271022  
1 1 1 48 31 12 o 1.10902  0.333053  1.34876      0.797609 0.494006     1.10668  2.27268      1.15059  0.922961 0.377331  1.41006  0.393317  
1 1 1 48 31 13 o 2.21133  0.178273  5.00559      0.78844  4.44748      1.08786  5.62314      1.14433  2.05629  0.264521  2.31962  0.246662  
1 1 1 48 31 14 o 2.11619  0.189975  4.6004       0.804044 4.08569      1.13697  5.11533      1.13721  1.95992  0.290054  2.207    0.257638  
1 1 1 48 31 15 o 0.891836 0.337904  0.68963      0.828708 -0.155646    1.11106  1.7495       1.24413  0.796131 0.352379  1.24928  0.420508  
1 1 1 48 31 16 o 0.852465 0.329943  0.592086     0.802413 -0.708483    1.13115  1.9095       1.13845  0.717487 0.332167  1.2838   0.400438  
1 1 1 48 31 17 o 3.67089  0.116253  13.6364      0.853503 11.865       1.15686  15.7523      1.26436  3.40124  0.170064  3.92403  0.161105  
1 1 1 48 31 18 o 0.942515 0.328381  0.935186     0.761373 1.59349      1.15055  0.422324     1.01553  1.17769  0.404311  0.862439 0.358079  
1 1 1 48 31 19 o 0.853667 0.324579  0.671579     0.766861 1.09574      1.12437  0.302658     1.0486   1.03227  0.392865  0.838868 0.356806  
1 1 1 48 31 20 o 2.3918   0.171045  5.92851      0.818214 4.6822       1.19102  7.0424       1.12598  2.05961  0.289137  2.57856  0.218334  
1 1 1 48 31 21 o 0.714557 0.307426  0.132642     0.794246 0.173961     1.1866   0.099104     1.06904  0.84199  0.369024  0.796581 0.349687  
1 1 1 48 31 22 o 0.790721 0.32163   0.477802     0.799968 0.455679     1.19859  0.495572     1.07425  0.881108 0.378322  0.86145  0.36353   
1 1 1 48 31 23 o 0.752449 0.316933  0.346955     0.813969 -0.394392    1.1628   1.05925      1.13979  0.727411 0.33677   0.975567 0.388982  
1 1 1 48 31 24 o 1.09667  0.346421  1.53268      0.848629 0.757064     1.1737   2.38237      1.22846  0.907941 0.381413  1.30202  0.417361  
1 1 1 48 31 25 o 0.79448  0.329747  0.573563     0.860712 0.780887     1.19929  0.353353     1.236    0.888711 0.379902  0.823076 0.36736   
1 1 1 48 31 26 o 1.69647  0.271392  3.45577      0.920815 4.04858      1.2357   2.71556      1.3808   1.70287  0.373043  1.26875  0.442209  
1 1 1 48 31 27 o 0.584348 0.281083  -0.747049    0.962694 -0.198392    1.41077  -1.22518     1.31697  0.747695 0.353507  0.636374 0.311082  
1 1 1 48 31 28 o 0.504815 0.250166  -1.37577     0.948211 -2.04089     1.33497  -0.698545    1.34705  0.562632 0.281316  0.655886 0.319457  
1 1 1 48 31 29 o 2.02882  0.269001  5.33077      1.09151  4.94798      1.55782  5.69992      1.52981  1.56443  0.464574  1.78507  0.432444  
1 1 1 48 32 0  o 7.79774  0.126939  61.1259      1.97849  61.1259      1.97849  61.1259      1.97849  7.808    0.0896144 ?        ?         
1 1 1 48 32 1  o 3.14097  0.0981593 9.91888      0.616631 9.39163      0.870758 10.4493      0.873344 3.04715  0.142881  3.21592  0.135785  
1 1 1 48 32 2  o 0.608375 0.252551  0.116546     0.505031 0.129664     0.657753 0.0977042    0.788281 0.684364 0.286413  0.732064 0.310289  
1 1 1 48 32 3  o 3.51811  0.105893  12.4562      0.745083 12.11        1.06948  12.7827      1.03861  3.45634  0.154713  3.55364  0.146133  
1 1 1 48 32 4  o 1.865    0.176724  3.54067      0.659179 2.86428      0.983821 4.09168      0.88797  1.62325  0.314256  1.99448  0.222607  
1 1 1 48 32 5  o 1.48981  0.222937  2.28366      0.664267 2.46694      0.950016 2.10833      0.929162 1.49875  0.326032  1.38047  0.338642  
1 1 1 48 32 6  o 4.77342  0.0919114 22.899       0.877464 22.4151      1.2656   23.3469      1.21763  4.70945  0.134368  4.80918  0.126595  
1 1 1 48 32 7  o 3.71912  0.111424  13.9352      0.828797 11.6622      1.23264  15.8107      1.11968  3.38121  0.182278  3.95237  0.141647  
1 1 1 48 32 8  o 1.53497  0.254909  2.45066      0.782555 3.144        1.10548  1.75425      1.10793  1.68854  0.339286  1.25829  0.395544  
1 1 1 48 32 9  o 3.4034   0.132605  11.7133      0.902615 11.137       1.30853  12.2365      1.24669  3.2956   0.198527  3.46209  0.18005   
1 1 1 48 32 10 o 0.765114 0.318125  0.226978     0.803336 1.82736      1.17528  -1.17642     1.10057  1.2782   0.408076  0.655293 0.310957  
1 1 1 48 32 11 o 0.686614 0.300191  -0.0743766   0.781269 -0.17563     1.11154  0.0244848    1.09834  0.795973 0.352363  0.825968 0.358504  
1 1 1 48 32 12 o 2.27078  0.18164   5.28369      0.824932 6.23049      1.15499  4.29774      1.17863  2.44575  0.236122  2.00964  0.293243  
1 1 1 48 32 13 o 0.624422 0.282803  -0.331217    0.758243 -0.0516039   1.05723  -0.62738     1.08807  0.795903 0.34858   0.716096 0.329275  
1 1 1 48 32 14 o 3.01341  0.150768  9.23983      0.908654 8.71456      1.25775  9.81328      1.31416  2.89985  0.216865  3.07894  0.213412  
1 1 1 48 32 15 o 3.37391  0.144747  11.5896      0.976729 11.8631      1.35228  11.2914      1.41228  3.38659  0.199652  3.29568  0.214262  
1 1 1 48 32 16 o 2.531    0.176692  6.58284      0.894417 6.59305      1.20468  6.57031      1.33515  2.50422  0.24053   2.48493  0.268649  
1 1 1 48 32 17 o 0.877043 0.337097  0.678254     0.834528 1.10529      1.1523   0.207201     1.21023  1.05017  0.398288  0.875005 0.378004  
1 1 1 48 32 18 o 0.582217 0.269746  -0.495606    0.747782 -0.47005     1.13939  -0.514942    0.991095 0.739824 0.338827  0.680409 0.31344   
1 1 1 48 32 19 o 1.85772  0.218565  3.65465      0.812066 3.14797      1.23005  4.0461       1.08117  1.60535  0.387055  1.91987  0.281574  
1 1 1 48 32 20 o 0.915603 0.329087  0.893772     0.769902 1.56969      1.16948  0.376758     1.02281  1.14269  0.4061    0.837133 0.354065  
1 1 1 48 32 21 o 1.37819  0.28985   2.19926      0.773694 1.33092      1.14966  2.91808      1.04601  1.06508  0.39937   1.55181  0.34596   
1 1 1 48 32 22 o 1.67676  0.24874   3.11505      0.834154 2.91107      1.17663  3.32116      1.18274  1.49066  0.390141  1.61342  0.373594  
1 1 1 48 32 23 o 0.925375 0.337412  1.00108      0.811898 0.810419     1.15141  1.18963      1.14501  0.918313 0.381281  0.999566 0.392593  
1 1 1 48 32 24 o 1.71682  0.254887  3.37287      0.87519  2.88753      1.23303  3.86562      1.24243  1.41601  0.411182  1.7007   0.375333  
1 1 1 48 32 25 o 0.846601 0.342226  0.824088     0.898633 0.147333     1.20264  1.67961      1.35218  0.772377 0.351771  1.04738  0.421278  
1 1 1 48 32 26 o 1.17673  0.364131  2.0149       0.943879 1.85465      1.3243   2.18035      1.34565  1.06477  0.420936  1.13369  0.430277  
1 1 1 48 32 27 o 1.41733  0.348831  2.97909      0.983441 2.77065      1.40796  3.17766      1.37424  1.16684  0.440927  1.27604  0.441501  
1 1 1 48 32 28 o 0.77278  0.336759  0.75064      0.976547 2.21224      1.40155  -0.628468    1.36142  1.01981  0.421871  0.659663 0.321272  
1 1 1 48 32 29 f 0.750689 0.333319  0.861407     1.00474  -0.352743    1.37652  2.24585      1.46989  0.645592 0.316159  0.923698 0.407525  
1 1 1 48 33 0  o 3.02927  0.144799  9.29524      0.872704 9.29524      0.872704 9.29524      0.872704 3.0391   0.101785  ?        ?         
1 1 1 48 33 1  o 2.12661  0.130371  4.56775      0.554495 4.39715      0.751048 4.77216      0.822109 2.07701  0.1808    2.1616   0.190162  
1 1 1 48 33 2  o 2.9683   0.122366  8.88886      0.726437 7.32971      1.08199  10.1685      0.980207 2.67514  0.202231  3.16642  0.154782  
1 1 1 48 33 3  o 1.21601  0.270996  1.59956      0.642011 1.88764      0.96249  1.36864      0.861725 1.30256  0.358392  1.12417  0.347935  
1 1 1 48 33 4  o 2.65417  0.131452  7.11811      0.697791 5.89782      1.04694  8.09351      0.936006 2.39407  0.218652  2.82146  0.165873  
1 1 1 48 33 5  o 2.83708  0.125229  8.12638      0.710568 7.75177      1.04875  8.44429      0.966116 2.75352  0.190438  2.88099  0.167671  
1 1 1 48 33 6  o 3.54114  0.105444  12.6268      0.746783 12.7722      1.09651  12.501       1.01987  3.54715  0.154562  3.51236  0.145184  
1 1 1 48 33 7  o 3.23197  0.145975  10.5889      0.943577 11.5652      1.28282  9.43792      1.3928   3.36134  0.19082   3.02053  0.230555  
1 1 1 48 33 8  o 3.44758  0.136067  12.0324      0.938207 10.7996      1.26716  13.5282      1.39579  3.24524  0.195234  3.6336   0.192068  
1 1 1 48 33 9  o 2.50116  0.162689  6.37184      0.813823 5.33048      1.12608  7.51046      1.17748  2.26021  0.249109  2.69588  0.218386  
1 1 1 48 33 10 o 1.00994  0.337277  1.07659      0.800372 1.41351      1.15793  0.768358     1.10754  1.15343  0.404671  0.981126 0.385872  
1 1 1 48 33 11 o 1.87612  0.215691  3.64313      0.809323 3.33732      1.12783  3.96777      1.16205  1.73053  0.337917  1.92708  0.301504  
1 1 1 48 33 12 o 1.27958  0.312407  1.82373      0.793647 1.57291      1.10984  2.08621      1.13536  1.19213  0.397166  1.34638  0.395722  
1 1 1 48 33 13 o 0.753862 0.31613   0.200177     0.803943 -0.160774    1.09939  0.61504      1.17864  0.78994  0.349968  0.960061 0.390437  
1 1 1 48 33 14 o 1.41613  0.318884  2.25601      0.881417 2.27332      1.24167  2.23842      1.25142  1.38607  0.415405  1.37516  0.418023  
1 1 1 48 33 15 o 0.871678 0.335247  0.645342     0.825676 -0.226951    1.14167  1.60191      1.19555  0.788258 0.352409  1.19359  0.411911  
1 1 1 48 33 16 f 1.72021  0.245061  3.14121      0.843113 3.73686      1.17347  2.50564      1.21216  1.81092  0.336586  1.44042  0.404329  
1 1 1 48 33 17 o 1.26827  0.329664  1.87232      0.843781 2.39755      1.15182  1.264        1.23958  1.40155  0.39437   1.08816  0.412979  
1 1 1 48 33 18 o 1.89314  0.223018  3.80346      0.844406 3.28682      1.21515  4.28589      1.17424  1.65035  0.376357  1.9653   0.298744  
1 1 1 48 33 19 o 1.47744  0.270539  2.44736      0.769636 0.482764     1.18337  3.88752      1.01319  0.898187 0.380413  1.88382  0.26892   
1 1 1 48 33 20 o 0.646065 0.29024   -0.162261    0.782728 -0.217288    1.11101  -0.108032    1.10292  0.751519 0.341154  0.765613 0.344207  
1 1 1 48 33 21 o 0.476739 0.234803  -1.4546      0.794868 -1.82038     1.13699  -1.10495     1.11166  0.577255 0.28412   0.633277 0.303991  
1 1 1 48 33 22 o 0.57276  0.268961  -0.572666    0.791873 -0.857438    1.10706  -0.274309    1.13316  0.652434 0.310675  0.732797 0.336565  
1 1 1 48 33 23 o 0.77125  0.32097   0.467005     0.818934 -0.155423    1.12738  1.16235      1.19158  0.737678 0.337506  0.981714 0.39522   
1 1 1 48 33 24 o 0.899918 0.349399  1.00962      0.901298 1.05667      1.20829  0.950611     1.35324  0.930372 0.388703  0.922414 0.399115  
1 1 1 48 33 25 o 0.735382 0.324243  0.310114     0.928558 -1.06622     1.27505  1.86434      1.35495  0.648875 0.31453   1.07216  0.425171  
1 1 1 48 33 26 o 0.520142 0.256187  -1.26618     0.942669 0.233938     1.40053  -2.50868     1.27462  0.773279 0.36214   0.532992 0.26819   
1 1 1 48 33 27 o 1.14299  0.375696  2.23799      0.993095 0.938633     1.40781  3.52502      1.40111  0.821247 0.376331  1.30568  0.44625   
1 1 1 48 33 28 o 0.630887 0.29784   -0.131607    0.99721  -0.226486    1.38444  -0.0293023   1.43759  0.684803 0.331105  0.708759 0.341551  
1 1 1 48 34 0  o 0.382321 0.268815  -0.663265    0.744474 -0.663265    0.744474 -0.663265    0.744474 0.296653 0.212532  ?        ?         
1 1 1 48 34 1  o 1.14783  0.235275  1.40896      0.521518 0.885184     0.724428 1.97245      0.751387 0.938127 0.320877  1.34619  0.287514  
1 1 1 48 34 2  o 4.7124   0.0885474 22.3163      0.834541 21.8114      1.18608  22.8114      1.17444  4.64625  0.127639  4.75311  0.123545  
1 1 1 48 34 3  f 5.09535  0.0955956 26.1136      0.974186 24.8486      1.43574  27.193       1.32619  4.95152  0.14498   5.18753  0.127824  
1 1 1 48 34 4  o 4.10801  0.099342  16.9835      0.816196 16.6854      1.16699  17.269       1.14197  4.05755  0.143805  4.12998  0.138254  
1 1 1 48 34 5  o 0.92222  0.306483  0.874598     0.660889 0.468054     0.936962 1.27713      0.932332 0.868872 0.350183  1.09568  0.364021  
1 1 1 48 34 6  o 1.60032  0.255501  2.67469      0.817768 2.99382      1.09047  2.26458      1.23618  1.63969  0.343561  1.4053   0.412879  
1 1 1 48 34 7  o 1.77279  0.221684  3.25221      0.785997 3.54299      1.06338  2.90203      1.16696  1.82839  0.290798  1.59938  0.371584  
1 1 1 48 34 8  f 1.5213   0.251478  2.4232       0.765149 2.13097      1.06792  2.73146      1.09682  1.3654   0.378295  1.55294  0.359886  
1 1 1 48 34 9  o 0.440769 0.219352  -1.84717     0.763177 -2.4663      1.09584  -1.26407     1.06348  0.536049 0.266225  0.628357 0.300587  
1 1 1 48 34 10 f 3.47483  0.1299    12.2292      0.902759 12.8837      1.33159  11.6725      1.22807  3.54211  0.187965  3.37429  0.181975  
1 1 1 48 34 11 o 3.32045  0.130839  11.1705      0.868888 12.3894      1.26681  10.0877      1.194    3.47569  0.182239  3.13261  0.190576  
1 1 1 48 34 12 o 3.83208  0.134876  14.9059      1.03371  17.3761      1.44397  12.3092      1.4805   4.11648  0.175389  3.44332  0.214981  
1 1 1 48 34 13 o 3.50408  0.148338  12.5157      1.03958  13.5487      1.38903  11.2004      1.56747  3.62294  0.191699  3.26524  0.240023  
1 1 1 48 34 14 o 2.0849   0.210069  4.52303      0.875947 4.89087      1.24073  4.15749      1.23683  2.13003  0.291246  1.95087  0.316995  
1 1 1 48 34 15 o 2.75995  0.170326  7.84716      0.940181 8.55011      1.24068  6.89901      1.44091  2.85511  0.217274  2.52222  0.285643  
1 1 1 48 34 16 o 0.743758 0.316489  0.181641     0.825652 -1.2084      1.17992  1.51531      1.15575  0.664712 0.317651  1.14369  0.403986  
1 1 1 48 34 17 o 1.18877  0.339447  1.66782      0.847269 0.996811     1.2039   2.32631      1.19262  1.01485  0.401299  1.367    0.406598  
1 1 1 48 34 18 o 1.00647  0.339387  1.15511      0.810414 0.995871     1.12214  1.32872      1.17165  0.99539  0.389163  1.08266  0.403723  
1 1 1 48 34 19 o 1.77776  0.227556  3.40087      0.809079 2.60018      1.13865  4.21738      1.14985  1.43426  0.387691  1.93227  0.297538  
1 1 1 48 34 20 o 0.845706 0.331521  0.6878       0.81546  -0.220502    1.12799  1.68223      1.18026  0.7478   0.340605  1.14206  0.407757  
1 1 1 48 34 21 o 0.643854 0.291617  -0.166651    0.806329 -0.518824    1.12494  0.205466     1.15635  0.698513 0.326396  0.811563 0.359314  
1 1 1 48 34 22 o 1.19256  0.332178  1.80021      0.821252 0.214921     1.15074  3.44575      1.17241  0.8033   0.356693  1.62798  0.368598  
1 1 1 48 34 23 f 0.540585 0.261694  -1.00656     0.874961 -1.12328     1.15458  -0.849092    1.341    0.622036 0.301036  0.698469 0.334945  
1 1 1 48 34 24 o 0.608704 0.286261  -0.456483    0.904143 1.61163      1.25222  -2.70892     1.30683  1.02908  0.408532  0.546119 0.274107  
1 1 1 48 34 25 o 0.61317  0.287433  -0.323481    0.890048 -0.611634    1.32894  -0.0890926   1.19857  0.691727 0.332128  0.720153 0.336664  
1 1 1 48 34 26 o 0.92944  0.362666  1.42373      0.973554 0.535409     1.36621  2.34019      1.38767  0.780847 0.36286   1.06186  0.426908  
1 1 1 48 34 27 o 0.844242 0.355329  1.10048      1.02186  1.0323       1.54248  1.15382      1.36416  0.839355 0.38832   0.851647 0.382852  
1 1 1 48 34 28 o 0.750663 0.33148   0.937101     0.975447 1.68919      1.34205  0.0948123    1.42025  0.837784 0.378003  0.671014 0.327039  
1 1 1 48 35 0  o 1.38828  0.316171  2.25119      0.763822 2.25119      0.763822 2.25119      0.763822 1.45481  0.193232  ?        ?         
1 1 1 48 35 1  o 2.52166  0.112031  6.4132       0.56501  7.33768      0.802421 5.50412      0.795711 2.68847  0.149234  2.32296  0.171271  
1 1 1 48 35 2  o 3.24259  0.111539  10.6045      0.72335  10.8657      1.08907  10.3982      0.967613 3.26521  0.166768  3.19955  0.151211  
1 1 1 48 35 3  o 2.51595  0.140393  6.41728      0.706443 6.22358      1.05554  6.57444      0.950774 2.45538  0.214944  2.53308  0.187671  
1 1 1 48 35 4  o 2.18959  0.157459  4.87938      0.689544 5.09941      0.992917 4.67441      0.958328 2.21888  0.223743  2.12379  0.225617  
1 1 1 48 35 5  o 1.68313  0.202258  2.91833      0.680851 3.21425      1.01299  2.6745       0.919522 1.71315  0.306747  1.56048  0.305523  
1 1 1 48 35 6  o 1.67836  0.230687  2.92887      0.774351 1.56535      1.06742  4.44357      1.12504  1.18915  0.389502  2.0513   0.274226  
1 1 1 48 35 7  o 3.94749  0.114215  15.7357      0.901722 14.9074      1.27669  16.5602      1.27377  3.82109  0.167059  4.03175  0.157967  
1 1 1 48 35 8  o 1.20398  0.31571   1.61532      0.76957  0.311054     1.1071   2.83478      1.0705   0.880474 0.37018   1.58639  0.346944  
1 1 1 48 35 9  o 4.30844  0.114302  18.7487      0.984928 18.0349      1.43155  19.3902      1.35722  4.20016  0.170416  4.36308  0.155534  
1 1 1 48 35 10 o 2.9963   0.15127   9.14253      0.906504 7.39487      1.35619  10.554       1.21877  2.65073  0.255814  3.20256  0.190282  
1 1 1 48 35 11 o 3.0326   0.148861  9.37455      0.902872 8.278        1.26188  10.5247      1.29237  2.81636  0.224028  3.18774  0.202709  
1 1 1 48 35 12 o 1.09432  0.345787  1.33621      0.845476 -0.427321    1.14085  3.48483      1.25927  0.758367 0.344646  1.73659  0.37329   
1 1 1 48 35 13 o 1.37296  0.316292  2.13405      0.851209 2.79803      1.22793  1.51983      1.18102  1.53285  0.397338  1.1645   0.408674  
1 1 1 48 35 14 o 1.26997  0.334923  1.86961      0.86297  2.28573      1.28384  1.52663      1.16557  1.36474  0.42515   1.15512  0.405933  
1 1 1 48 35 15 o 1.95695  0.220812  4.04712      0.864232 3.82643      1.22891  4.26306      1.21562  1.80943  0.352151  1.95767  0.310476  
1 1 1 48 35 16 o 0.788692 0.323178  0.401908     0.81368  -0.0167324   1.1819   0.779111     1.12188  0.816215 0.362077  0.951746 0.383349  
1 1 1 48 35 17 o 1.95869  0.208136  4.0546       0.815344 3.78474      1.14016  4.33705      1.16643  1.80363  0.328207  1.97198  0.295751  
1 1 1 48 35 18 o 2.24127  0.194234  5.30076      0.870661 6.38656      1.20928  4.13209      1.25457  2.41935  0.249918  1.85577  0.350804  
1 1 1 48 35 19 o 1.09538  0.336441  1.46542      0.807816 2.31908      1.13393  0.585672     1.15112  1.33048  0.396615  0.889498 0.375885  
1 1 1 48 35 20 o 2.03595  0.207215  4.4733       0.843761 4.89213      1.17712  4.03069      1.21008  2.0627   0.285334  1.80189  0.348209  
1 1 1 48 35 21 o 0.844658 0.33093   0.735095     0.812324 0.138229     1.12034  1.3967       1.17954  0.786292 0.350379  1.04481  0.401001  
1 1 1 48 35 22 o 0.544794 0.263252  -0.965415    0.870111 -0.542059    1.17848  -1.47279     1.29013  0.691543 0.325683  0.633032 0.309096  
1 1 1 48 35 23 o 1.63945  0.300758  3.38414      0.949351 3.64941      1.33136  3.10972      1.3541   1.54306  0.420164  1.38223  0.437692  
1 1 1 48 35 24 o 0.723407 0.313293  0.375114     0.835279 -0.781857    1.15764  1.63157      1.20639  0.641377 0.308446  1.02292  0.402592  
1 1 1 48 35 25 o 0.804507 0.342249  0.846325     0.965073 0.612442     1.46193  1.02697      1.2848   0.806722 0.375066  0.851341 0.377603  
1 1 1 48 35 26 o 0.79722  0.346228  0.86971      1.02553  1.48333      1.49937  0.330297     1.40578  0.89255  0.4013    0.75274  0.354856  
1 1 1 48 35 27 o 0.622538 0.294688  -0.0590471   0.983011 0.847553     1.35422  -1.0688      1.42918  0.764381 0.357541  0.612075 0.303989  
1 1 1 48 36 0  o 0.723916 0.396189  0.80177      0.807585 0.80177      0.807585 0.80177      0.807585 0.723421 0.346113  ?        ?         
1 1 1 48 36 1  o 2.27262  0.127341  5.22745      0.578798 5.91433      0.816058 4.53215      0.821053 2.40627  0.169569  2.09915  0.195568  
1 1 1 48 36 2  o 2.59192  0.131143  6.80459      0.679823 6.38647      1.00147  7.16193      0.925811 2.48978  0.201116  2.64608  0.17494   
1 1 1 48 36 3  o 3.51222  0.112028  12.452       0.786934 13.3098      1.15663  11.7127      1.07377  3.6137   0.160034  3.39062  0.158344  
1 1 1 48 36 4  o 3.90535  0.102191  15.3719      0.79818  15.6145      1.19275  15.1751      1.07414  3.91742  0.152237  3.86749  0.138868  
1 1 1 48 36 5  o 2.30913  0.169425  5.44816      0.782449 5.82027      1.11712  5.08982      1.09627  2.36291  0.236387  2.20492  0.248596  
1 1 1 48 36 6  o 1.84513  0.212954  3.52235      0.785854 2.65509      1.1236   4.35283      1.09952  1.52316  0.371621  2.03022  0.270788  
1 1 1 48 36 7  o 2.15357  0.192148  4.76961      0.827611 4.64255      1.19122  4.88816      1.15067  2.09028  0.284943  2.15248  0.267289  
1 1 1 48 36 8  o 2.24804  0.187949  5.19715      0.845031 5.20186      1.21679  5.19276      1.17444  2.21461  0.27472   2.21715  0.264854  
1 1 1 48 36 9  o 0.729469 0.314634  0.0485384    0.835946 1.09346      1.24162  -0.817845    1.13058  1.07402  0.411648  0.702591 0.327879  
1 1 1 48 36 10 o 1.07944  0.344286  1.29311      0.836711 1.33506      1.15314  1.24646      1.21593  1.12025  0.402738  1.10559  0.411478  
1 1 1 48 36 11 o 1.77376  0.251656  3.32739      0.892752 3.49235      1.27708  3.16973      1.24849  1.73246  0.378992  1.64477  0.38579   
1 1 1 48 36 12 o 1.78302  0.245299  3.37232      0.874745 3.62242      1.26003  3.13965      1.21533  1.76221  0.369363  1.63155  0.379304  
1 1 1 48 36 13 o 0.808234 0.329468  0.425156     0.841269 -0.252183    1.1993   1.0813       1.18039  0.792152 0.357379  1.04027  0.400684  
1 1 1 48 36 14 o 1.75502  0.235985  3.28383      0.828314 3.78337      1.21573  2.85102      1.13161  1.79839  0.350511  1.54115  0.371038  
1 1 1 48 36 15 o 1.11409  0.336909  1.4539       0.814285 2.0737       1.13919  0.806418     1.16436  1.29472  0.399913  0.964941 0.389763  
1 1 1 48 36 16 o 1.24707  0.319004  1.82657      0.798895 0.966184     1.11242  2.74294      1.14804  0.985832 0.387039  1.48987  0.383179  
1 1 1 48 36 17 o 0.758752 0.317336  0.326856     0.806639 1.01262      1.11686  -0.420932    1.16627  0.987415 0.387762  0.740542 0.340678  
1 1 1 48 36 18 o 1.20588  0.330411  1.77484      0.820159 2.37637      1.13166  1.10933      1.19032  1.34854  0.394667  1.00471  0.39848   
1 1 1 48 36 19 o 0.760607 0.317234  0.398008     0.802687 1.3743       1.1202   -0.632295    1.15077  1.04832  0.393995  0.692918 0.325177  
1 1 1 48 36 20 o 0.930464 0.338792  1.02205      0.818301 1.28723      1.09532  0.687068     1.23104  1.01707  0.387559  0.903327 0.385483  
1 1 1 48 36 21 o 0.759176 0.322554  0.414237     0.855267 1.76493      1.16185  -1.1834      1.2636   1.10932  0.403715  0.652012 0.315436  
1 1 1 48 36 22 o 1.1884   0.348213  1.94825      0.880428 2.60022      1.27178  1.34824      1.22006  1.27701  0.425155  0.980328 0.397739  
1 1 1 48 36 23 o 0.860005 0.339364  0.927324     0.85931  -0.632738    1.19106  2.62085      1.24097  0.667051 0.31886   1.27165  0.419973  
1 1 1 48 36 24 o 1.26681  0.367332  2.50608      0.984756 1.66454      1.51861  3.11671      1.2936   0.954535 0.417916  1.3083   0.428787  
1 1 1 48 36 25 f 0.851743 0.352076  1.15106      0.97499  2.36545      1.45201  0.153928     1.31573  1.03055  0.428043  0.721287 0.341196  
1 1 1 48 36 26 o 0.851596 0.350033  1.19075      0.957463 1.49799      1.34841  0.87831      1.35977  0.882617 0.389742  0.796883 0.367112  
1 1 1 48 37 0  o 0.563889 0.349621  0.304421     0.764945 0.304421     0.764945 0.304421     0.764945 0.507379 0.304315  ?        ?         
1 1 1 48 37 1  o 3.94402  0.0872233 15.6458      0.688021 17.0933      1.01902  14.433       0.932712 4.11031  0.12396   3.77711  0.123469  
1 1 1 48 37 2  o 3.28873  0.113023  10.9215      0.743401 11.0776      1.15086  10.8097      0.97383  3.28994  0.174906  3.26005  0.149358  
1 1 1 48 37 3  o 2.00839  0.182347  4.13663      0.732448 3.66818      1.15372  4.4529       0.947993 1.81878  0.329264  2.06884  0.229112  
1 1 1 48 37 4  o 2.3515   0.15379   5.6304       0.723272 3.67964      1.15524  6.88797      0.927555 1.82143  0.329189  2.59266  0.178881  
1 1 1 48 37 5  o 2.60397  0.16662   6.9309       0.867748 6.44024      1.24958  7.38789      1.20595  2.47562  0.252376  2.66416  0.226328  
1 1 1 48 37 6  o 3.24939  0.142026  10.7361      0.922996 10.0317      1.31948  11.4111      1.29159  3.10957  0.212165  3.32626  0.19415   
1 1 1 48 37 7  o 0.97601  0.34428   0.979367     0.839113 0.568141     1.24682  1.31983      1.13449  0.962009 0.397928  1.11476  0.399597  
1 1 1 48 37 8  o 0.566406 0.268203  -0.855775    0.814842 -0.073489    1.16964  -1.59349     1.13583  0.82343  0.363377  0.618906 0.299358  
1 1 1 48 37 9  o 1.37728  0.314761  2.13498      0.848466 1.38457      1.18104  2.93536      1.21972  1.13434  0.407603  1.581    0.388094  
1 1 1 48 37 10 o 2.88075  0.158641  8.50301      0.91401  7.47033      1.27081  9.60971      1.31556  2.66028  0.23885   3.03121  0.217002  
1 1 1 48 37 11 o 0.954028 0.3404    0.949006     0.822411 0.345768     1.20149  1.48081      1.12811  0.894355 0.381215  1.14091  0.399507  
1 1 1 48 37 12 o 2.22729  0.195486  5.17767      0.87081  5.08542      1.24913  5.26489      1.21462  2.15354  0.290016  2.20036  0.276005  
1 1 1 48 37 13 o 0.991081 0.341003  1.09183      0.818839 -0.674912    1.15567  2.87299      1.16037  0.715151 0.332871  1.53943  0.378933  
1 1 1 48 37 14 o 2.13669  0.198611  4.7917       0.848737 4.09165      1.21098  5.46758      1.18988  1.87646  0.334717  2.24087  0.265495  
1 1 1 48 37 15 o 1.2399   0.322938  1.81455      0.808668 1.40868      1.12407  2.24996      1.16425  1.09694  0.397304  1.33476  0.402696  
1 1 1 48 37 16 o 0.735747 0.310791  0.259756     0.786439 -0.114329    1.10364  0.645668     1.12095  0.764577 0.343998  0.906354 0.376253  
1 1 1 48 37 17 o 1.02836  0.335584  1.27409      0.792355 -0.356471    1.10984  2.96921      1.1316   0.723372 0.332592  1.53046  0.372653  
1 1 1 48 37 18 o 1.30657  0.31919   2.09126      0.828096 3.74478      1.1427   0.262495     1.20173  1.74386  0.33976   0.832094 0.367619  
1 1 1 48 37 19 o 1.07305  0.346012  1.46085      0.843433 1.7544       1.11558  1.06916      1.28864  1.14059  0.397483  0.9835   0.405474  
1 1 1 48 37 20 o 1.88356  0.239736  4.00866      0.903114 5.28264      1.2678   2.69621      1.2868   2.09158  0.303073  1.34106  0.426883  
1 1 1 48 37 21 o 1.50239  0.303318  2.84222      0.87948  2.88396      1.21209  2.7958       1.27808  1.38207  0.409664  1.33372  0.425523  
1 1 1 48 37 22 o 0.541223 0.260084  -0.752612    0.81922  -0.0843076   1.13082  -1.49074     1.18843  0.718462 0.332427  0.590679 0.290646  
1 1 1 48 37 23 o 0.708024 0.313436  0.343468     0.879562 -1.3064      1.2733   1.84925      1.21643  0.610139 0.300422  1.0317   0.404809  
1 1 1 48 37 24 o 0.674332 0.307459  0.209528     0.924308 -1.12147     1.33177  1.44651      1.28388  0.618565 0.304666  0.901388 0.389367  
1 1 1 48 37 25 o 0.584238 0.282236  -0.598201    0.997572 -1.84034     1.41892  0.61585      1.40278  0.586864 0.293034  0.78013  0.364514  
1 1 1 48 37 26 f 0.517478 0.256526  -1.05821     0.99909  1.00773      1.35965  -3.48296     1.473    0.752231 0.353093  ?        ?         
1 1 1 48 38 0  o 3.40709  0.132865  11.7467      0.902243 11.7467      0.902243 11.7467      0.902243 3.41728  0.0935048 ?        ?         
1 1 1 48 38 1  o 1.65832  0.161202  2.81032      0.534647 2.83304      0.737287 2.78512      0.776443 1.64883  0.223578  1.63042  0.238111  
1 1 1 48 38 2  o 2.26006  0.155989  5.21406      0.705088 4.61274      1.11103  5.61956      0.91236  2.08564  0.266351  2.33288  0.195544  
1 1 1 48 38 3  o 0.658462 0.285216  -0.0037871   0.692495 -0.374563    1.0963   0.242366     0.893261 0.750977 0.340089  0.792236 0.332771  
1 1 1 48 38 4  o 3.58201  0.120544  12.9941      0.863577 13.0433      1.23327  12.9467      1.20963  3.56527  0.172957  3.55346  0.170205  
1 1 1 48 38 5  o 0.806365 0.324432  0.426496     0.802282 -0.526933    1.1435   1.35081      1.1259   0.745524 0.340602  1.12119  0.398462  
1 1 1 48 38 6  o 2.15521  0.196633  4.80363      0.847573 3.72365      1.20322  5.86736      1.19413  1.81481  0.343979  2.35617  0.253406  
1 1 1 48 38 7  o 4.64353  0.117243  21.8356      1.08885  21.3691      1.42782  22.4839      1.68324  4.57154  0.156163  4.67233  0.180129  
1 1 1 48 38 8  o 2.51896  0.177786  6.54305      0.895669 5.45752      1.21493  7.83542      1.32563  2.25726  0.269116  2.72104  0.243589  
1 1 1 48 38 9  o 3.2869   0.142939  11.0363      0.939654 12.0492      1.35616  10.1009      1.30316  3.40091  0.199382  3.10724  0.209698  
1 1 1 48 38 10 o 0.629107 0.287367  -0.391478    0.8136   -1.53649     1.17501  0.6631       1.12766  0.630841 0.305018  0.934615 0.381293  
1 1 1 48 38 11 o 2.17341  0.19598   4.93928      0.851889 4.61258      1.20633  5.26427      1.20318  2.04481  0.294974  2.19891  0.273586  
1 1 1 48 38 12 o 0.665667 0.298723  -0.192906    0.827186 1.41097      1.20111  -1.6399      1.14085  1.11255  0.409931  0.60663  0.295135  
1 1 1 48 38 13 o 0.754421 0.317053  0.271597     0.811574 -0.353645    1.14868  0.894789     1.1468   0.752556 0.343024  0.978102 0.390118  
1 1 1 48 38 14 o 1.21345  0.334584  1.76023      0.837772 0.668347     1.21952  2.736        1.15286  0.937104 0.390945  1.48098  0.385521  
1 1 1 48 38 15 o 2.05585  0.204512  4.49581      0.840891 4.17778      1.16112  4.84658      1.21941  1.9145   0.303245  2.06915  0.294666  
1 1 1 48 38 16 o 0.693987 0.302111  0.103846     0.784318 0.87923      1.09815  -0.703518    1.12057  0.938666 0.37878   0.680464 0.319623  
1 1 1 48 38 17 o 1.98901  0.214783  4.29306      0.85441  3.80925      1.15614  4.87528      1.26827  1.75735  0.341117  2.0334   0.311859  
1 1 1 48 38 18 o 1.18611  0.339434  1.78651      0.846307 3.1559       1.1698   0.282661     1.22589  1.548    0.380115  0.834381 0.369619  
1 1 1 48 38 19 o 0.591755 0.278783  -0.578813    0.864927 0.676576     1.20339  -1.92035     1.244    0.876684 0.377809  0.58947  0.29076   
1 1 1 48 38 20 o 2.29506  0.190037  5.75773      0.872296 5.53616      1.24742  5.96975      1.22025  2.13033  0.292776  2.23939  0.272452  
1 1 1 48 38 21 o 0.67374  0.301186  0.103575     0.833757 0.38094      1.15943  -0.193451    1.19982  0.791545 0.354475  0.720469 0.336823  
1 1 1 48 38 22 o 0.881665 0.342212  1.07974      0.864474 3.05647      1.24308  -0.771601    1.20301  1.35339  0.417691  0.642746 0.310403  
1 1 1 48 38 23 o 0.747283 0.326467  0.60855      0.922567 -0.466628    1.31766  1.64247      1.29213  0.670805 0.32411   0.942382 0.398238  
1 1 1 48 38 24 o 0.686014 0.311324  0.28335      0.923664 0.95094      1.28012  -0.441689    1.33407  0.823734 0.370556  0.672335 0.325068  
1 1 1 48 38 25 o 0.808562 0.346565  1.19457      1.00274  0.915851     1.43432  1.46102      1.40239  0.756743 0.35724   0.819117 0.37546   
1 1 1 48 39 0  o 5.93902  0.114035  35.5135      1.35339  35.5135      1.35339  35.5135      1.35339  5.94915  0.080464  ?        ?         
1 1 1 48 39 1  o 2.17796  0.130841  4.81537      0.569934 5.29296      0.795768 4.31237      0.816654 2.26988  0.175288  2.04066  0.200096  
1 1 1 48 39 2  o 4.82878  0.100102  23.5264      0.96674  23.1789      1.43648  23.8141      1.30702  4.76607  0.150699  4.8405   0.135009  
1 1 1 48 39 3  o 1.39109  0.268829  2.11996      0.721236 2.65625      1.22367  1.83448      0.892796 1.49536  0.400872  1.26477  0.343929  
1 1 1 48 39 4  o 3.81392  0.129047  14.7748      0.984353 14.8615      1.31687  14.665       1.48186  3.80166  0.173197  3.76127  0.196989  
1 1 1 48 39 5  o 2.00538  0.204146  4.18654      0.818781 4.17369      1.15883  4.19934      1.15703  1.96082  0.295498  1.9676   0.29402   
1 1 1 48 39 6  o 1.98759  0.216648  4.14159      0.861217 3.96476      1.20049  4.32909      1.23618  1.86759  0.333408  1.98435  0.311483  
1 1 1 48 39 7  o 3.0894   0.150481  9.77725      0.929793 9.60952      1.27431  9.96822      1.35969  3.02855  0.210383  3.07738  0.220917  
1 1 1 48 39 8  o 1.7238   0.24368   3.17146      0.84011  3.4117       1.16934  2.91517      1.20779  1.70652  0.354427  1.55073  0.389602  
1 1 1 48 39 9  o 2.26339  0.196734  5.35762      0.890572 5.75571      1.30047  5.00606      1.2221   2.29262  0.283621  2.13655  0.285998  
1 1 1 48 39 10 o 1.46422  0.293242  2.43118      0.828434 3.03526      1.22108  1.916        1.12765  1.5746   0.389412  1.25064  0.399767  
1 1 1 48 39 11 o 0.877479 0.33404   0.735476     0.81304  2.1081       1.17694  -0.517493    1.12448  1.29994  0.407487  0.723054 0.333382  
1 1 1 48 39 12 o 2.29571  0.191556  5.52732      0.879512 7.65974      1.28978  3.67391      1.20244  2.66543  0.241946  1.75482  0.355019  
1 1 1 48 39 13 o 1.30196  0.318286  2.00734      0.822974 2.32004      1.15275  1.68229      1.1753   1.34907  0.399434  1.16298  0.407726  
1 1 1 48 39 14 o 1.51603  0.281689  2.63762      0.822144 2.35538      1.19772  2.8891       1.13056  1.33837  0.409381  1.51509  0.374704  
1 1 1 48 39 15 o 1.98197  0.215621  4.24375      0.85471  4.01531      1.15306  4.52233      1.27336  1.82596  0.327627  1.92459  0.343147  
1 1 1 48 39 16 o 0.74963  0.317282  0.33288      0.822293 0.410995     1.12477  0.243196     1.20518  0.83936  0.363532  0.828667 0.366863  
1 1 1 48 39 17 o 0.648616 0.294551  -0.173911    0.829922 -0.626576    1.1471   0.32329      1.20221  0.687988 0.323223  0.835423 0.36857   
1 1 1 48 39 18 o 1.58591  0.259632  2.89877      0.823505 2.38289      1.18063  3.38757      1.14923  1.27855  0.409087  1.59329  0.367824  
1 1 1 48 39 19 o 0.98339  0.3396    1.2942       0.812755 1.73311      1.11964  0.80529      1.18169  1.08213  0.396068  0.877213 0.376113  
1 1 1 48 39 20 o 1.42882  0.319678  2.67198      0.890501 1.99737      1.24308  3.38311      1.27629  1.11637  0.415936  1.48383  0.414362  
1 1 1 48 39 21 o 0.62346  0.287409  -0.135068    0.83523  0.180387     1.15683  -0.478564    1.20716  0.745644 0.341458  0.67653  0.322821  
1 1 1 48 39 22 o 0.942256 0.346666  1.39307      0.858705 0.49161      1.1913   2.36797      1.23888  0.761621 0.347828  1.11238  0.415077  
1 1 1 48 39 23 o 0.846133 0.34888   1.10241      0.954124 1.82233      1.31576  0.303995     1.38562  0.961808 0.403929  0.748919 0.352834  
1 1 1 48 39 24 o 1.53539  0.326349  3.54661      0.972027 3.29103      1.30658  3.86338      1.45462  1.22004  0.429681  1.27513  0.452936  
1 1 1 48 40 0  o 1.48825  0.352686  2.66159      0.910657 2.66159      0.910657 2.66159      0.910657 1.57285  0.213436  ?        ?         
1 1 1 48 40 1  o 0.8223   0.283998  0.691998     0.568411 0.855475     0.726948 0.434805     0.911811 0.909348 0.320477  0.834298 0.34203   
1 1 1 48 40 2  o 1.47966  0.23638   2.31853      0.699525 2.82178      1.10891  1.98591      0.901533 1.54947  0.363683  1.30709  0.341227  
1 1 1 48 40 3  o 1.44793  0.259142  2.30196      0.723311 3.20972      1.20831  1.79501      0.902969 1.64584  0.375272  1.23915  0.349343  
1 1 1 48 40 4  o 2.48945  0.180727  6.42021      0.899824 7.116        1.19761  5.51823      1.36356  2.59234  0.230991  2.23722  0.304744  
1 1 1 48 40 5  o 2.20846  0.189959  5.07683      0.839035 5.31508      1.18984  4.84117      1.18334  2.2163   0.268428  2.10772  0.280716  
1 1 1 48 40 6  o 0.595652 0.278528  -0.616407    0.820993 0.140927     1.17012  -1.35072     1.1522   0.842943 0.367968  0.639846 0.307712  
1 1 1 48 40 7  o 0.674418 0.298432  -0.0884588   0.796233 -0.78996     1.14318  0.572512     1.10966  0.696653 0.32642   0.907238 0.375346  
1 1 1 48 40 8  o 2.5684   0.171694  6.83634      0.881958 6.15834      1.27032  7.4673       1.22545  2.37953  0.266926  2.6468   0.231496  
1 1 1 48 40 9  o 0.842607 0.336149  0.575925     0.851614 0.257631     1.249    0.852462     1.16419  0.877726 0.381656  0.973939 0.391247  
1 1 1 48 40 10 o 1.30034  0.326487  1.99431      0.848568 3.06842      1.196    0.905519     1.20415  1.57971  0.382158  0.987795 0.397451  
1 1 1 48 40 11 o 0.842087 0.333373  0.616854     0.831728 -0.604123    1.14856  1.96309      1.20603  0.713955 0.332133  1.24313  0.414019  
1 1 1 48 40 12 o 0.613965 0.284761  -0.480451    0.836227 -0.777233    1.1458   -0.142216    1.2232   0.687122 0.322881  0.793914 0.359399  
1 1 1 48 40 13 o 1.17383  0.345959  1.70147      0.866615 1.17956      1.21578  2.24057      1.23562  1.0238   0.403769  1.2933   0.418979  
1 1 1 48 40 14 o 0.703854 0.310138  0.0663376    0.847628 0.241391     1.23944  -0.0874673   1.16178  0.838849 0.37162   0.769758 0.349268  
1 1 1 48 40 15 o 1.56273  0.281714  2.85751      0.848329 3.55056      1.20818  2.18354      1.19144  1.66052  0.372945  1.25908  0.411506  
1 1 1 48 40 16 o 1.0347   0.338473  1.34642      0.806058 2.46341      1.16995  0.337123     1.11212  1.33333  0.403964  0.816721 0.357607  
1 1 1 48 40 17 o 0.970445 0.333069  1.20436      0.780759 0.429656     1.0842   2.03885      1.12527  0.810474 0.353994  1.18796  0.399916  
1 1 1 48 40 18 o 0.724517 0.309139  0.375491     0.791535 -0.745102    1.1074   1.54599      1.1318   0.641411 0.306808  1.03189  0.39374   
1 1 1 48 40 19 o 0.747469 0.315911  0.483922     0.813285 0.72216      1.15913  0.252918     1.14139  0.848469 0.368282  0.769217 0.347751  
1 1 1 48 40 20 f 0.926237 0.346753  1.20993      0.865995 1.03131      1.2073   1.39924      1.24288  0.888385 0.38051   0.958711 0.396976  
1 1 1 48 40 21 o 0.936811 0.343447  1.35867      0.84219  2.5075       1.17522  0.145834     1.20751  1.17317  0.408052  0.720529 0.337226  
1 1 1 48 40 22 f 1.11099  0.361493  2.03718      0.919426 2.23386      1.3002   1.84047      1.30033  1.04302  0.415586  0.964465 0.40311   
1 1 1 48 40 23 o 0.797494 0.338824  0.971224     0.94367  0.224705     1.32151  1.74794      1.34798  0.71385  0.33969   0.912168 0.396559  
1 1 1 48 41 0  o 0.551474 0.352956  0.201402     0.844915 0.201402     0.844915 0.201402     0.844915 0.48568  0.304496  ?        ?         
1 1 1 48 41 1  o 2.28997  0.136577  5.35938      0.625513 5.07245      0.829667 5.73728      0.952146 2.20672  0.187986  2.33884  0.203551  
1 1 1 48 41 2  o 0.979701 0.312566  1.07959      0.689597 1.20218      1.14088  1.00902      0.865624 1.05866  0.397668  0.971788 0.348979  
1 1 1 48 41 3  o 0.928313 0.334936  0.901884     0.798187 1.16236      1.26012  0.72735      1.03151  1.06207  0.412975  0.92421  0.369518  
1 1 1 48 41 4  o 1.60742  0.290287  2.91162      0.899057 4.0571       1.23788  1.63284      1.30793  1.86519  0.344811  1.17602  0.428308  
1 1 1 48 41 5  o 3.19351  0.141054  10.4488      0.900916 11.324       1.31539  9.67549      1.23645  3.28503  0.20021   3.03396  0.203768  
1 1 1 48 41 6  o 0.812621 0.329501  0.474581     0.836638 0.919191     1.1992   0.0529492    1.1678   0.995352 0.398231  0.822813 0.3631    
1 1 1 48 41 7  o 2.07673  0.212248  4.5613       0.88156  5.17516      1.28215  4.01089      1.21406  2.15583  0.297368  1.85135  0.340641  
1 1 1 48 41 8  o 2.13768  0.217515  4.85623      0.929953 3.79261      1.35717  5.79761      1.27681  1.74829  0.397092  2.2924   0.278487  
1 1 1 48 41 9  o 0.746815 0.320921  0.180511     0.863689 -1.81083     1.23848  2.06591      1.20509  0.620488 0.302948  1.27236  0.413857  
1 1 1 48 41 10 o 0.765839 0.324806  0.285252     0.864642 -0.48079     1.26797  0.951075     1.18212  0.762459 0.352488  0.981713 0.394298  
1 1 1 48 41 11 o 0.519706 0.252843  -1.22095     0.837291 -1.02744     1.20551  -1.4013      1.16381  0.675842 0.322518  0.624989 0.302425  
1 1 1 48 41 12 o 1.57012  0.287793  2.86849      0.870042 2.14879      1.20608  3.64938      1.2563   1.26208  0.414028  1.6895   0.38089   
1 1 1 48 41 13 o 1.1883   0.335913  1.76824      0.833781 1.9451       1.23206  1.61881      1.13251  1.19208  0.417501  1.11174  0.399174  
1 1 1 48 41 14 f 2.1294   0.209441  4.91435      0.891968 4.64177      1.31102  5.14926      1.21708  1.92483  0.353788  2.10822  0.28865   
1 1 1 48 41 15 o 1.88656  0.219691  3.91234      0.828918 4.0559       1.18401  3.77434      1.16087  1.79615  0.341908  1.72395  0.348879  
1 1 1 48 41 16 o 1.07076  0.337499  1.51236      0.805897 2.90069      1.15978  0.216132     1.12065  1.43069  0.39331   0.778981 0.348681  
1 1 1 48 41 17 o 1.183    0.330617  1.87238      0.812216 2.59299      1.17179  1.20603      1.12682  1.3068   0.405988  0.950324 0.383606  
1 1 1 48 41 18 o 1.09888  0.342235  1.6779       0.831982 1.82359      1.17065  1.5292       1.18264  1.08288  0.403602  1.01115  0.398402  
1 1 1 48 41 19 o 0.546047 0.261593  -0.644505    0.812881 -0.16332     1.11902  -1.18211     1.1828   0.693368 0.324536  0.605205 0.295605  
1 1 1 48 41 20 o 0.89143  0.348033  1.2221       0.896845 0.466013     1.18587  2.23236      1.37078  0.760238 0.347129  1.0549   0.424223  
1 1 1 48 41 21 o 0.571958 0.273262  -0.417488    0.871877 0.912994     1.20607  -1.8739      1.26186  0.80965  0.362086  0.551674 0.275588  
1 1 1 48 41 22 o 0.718633 0.318642  0.549105     0.91394  -0.465683    1.33743  1.43815      1.25183  0.658111 0.319983  0.878498 0.382041  
1 1 1 48 42 0  o 0.924782 0.425849  1.3651       0.858713 1.3651       0.858713 1.3651       0.858713 1.00725  0.338434  ?        ?         
1 1 1 48 42 1  o 1.59295  0.189385  2.6519       0.60336  2.67323      0.816319 2.62621      0.895765 1.56944  0.260067  1.51318  0.306684  
1 1 1 48 42 2  o 0.69021  0.291453  0.178051     0.691222 0.264074     1.08372  0.119054     0.897478 0.834844 0.35914   0.750385 0.324859  
1 1 1 48 42 3  o 0.64941  0.295977  -0.344882    0.854697 -1.19745     1.2418   0.42254      1.17816  0.682051 0.325922  0.887936 0.377958  
1 1 1 48 42 4  o 0.715162 0.311258  0.0631052    0.832171 -1.59535     1.1481   1.89883      1.20791  0.610956 0.296872  1.23449  0.414341  
1 1 1 48 42 5  o 1.67894  0.235156  3.02609      0.789624 2.40206      1.12693  3.62797      1.10674  1.38772  0.389959  1.76588  0.325585  
1 1 1 48 42 6  o 0.941691 0.335854  0.970329     0.800516 1.33921      1.18764  0.663188     1.08369  1.08121  0.405815  0.909424 0.37286   
1 1 1 48 42 7  o 0.777305 0.320221  0.40068      0.803119 0.854696     1.19482  0.0264908    1.08471  0.966504 0.393091  0.784711 0.347641  
1 1 1 48 42 8  o 0.764104 0.319256  0.344472     0.815173 0.257901     1.20122  0.418374     1.10985  0.850895 0.37212   0.857491 0.365973  
1 1 1 48 42 9  o 1.07461  0.341602  1.40065      0.824221 0.800834     1.20674  1.92516      1.12844  0.946223 0.391444  1.21916  0.400481  
1 1 1 48 42 10 o 0.729781 0.311082  0.245734     0.800139 0.404839     1.16152  0.102045     1.10382  0.855059 0.369865  0.789185 0.350021  
1 1 1 48 42 11 o 1.95435  0.21352   4.1361       0.834588 5.28655      1.21488  3.10795      1.14849  2.14821  0.282764  1.55235  0.373832  
1 1 1 48 42 12 o 0.775356 0.319521  0.46787      0.799862 -0.457135    1.12545  1.41193      1.13698  0.706083 0.328588  1.05558  0.396895  
1 1 1 48 42 13 o 1.11303  0.33987   1.57232      0.825993 1.48337      1.21306  1.64922      1.12785  1.06699  0.407485  1.11058  0.398394  
1 1 1 48 42 14 o 1.17474  0.347447  1.81135      0.872603 0.520283     1.28714  2.90938      1.18702  0.868829 0.382538  1.44238  0.398511  
1 1 1 48 42 15 o 2.08434  0.209402  4.80884      0.872929 5.78261      1.26502  3.92366      1.2061   2.19318  0.288398  1.71043  0.363505  
1 1 1 48 42 16 f 1.07051  0.343104  1.57969      0.830234 3.16519      1.23095  0.256545     1.12451  1.44838  0.40774   0.77033  0.346875  
1 1 1 48 42 17 f 1.05164  0.334917  1.52125      0.792007 2.01336      1.10999  1.01086      1.13042  1.14069  0.396585  0.89828  0.375676  
1 1 1 48 42 18 f 2.38163  0.184554  6.28383      0.879078 5.73252      1.2018   6.91826      1.28921  2.14477  0.280169  2.36961  0.272029  
1 1 1 48 42 19 o 0.634348 0.291335  0.021363     0.848943 -1.07102     1.16046  1.27907      1.24518  0.591179 0.289703  0.888353 0.383592  
1 1 1 48 42 20 o 1.13144  0.346867  2.02549      0.859199 2.27442      1.23559  1.79241      1.19558  1.06582  0.410066  0.968457 0.393441  
1 1 1 48 42 21 o 0.631643 0.294148  0.0130453    0.903854 -0.269223    1.25707  0.315162     1.30052  0.664011 0.31984   0.728799 0.342908  
1 1 1 48 42 22 o 0.567209 0.273325  -0.310089    0.920356 -1.20677     1.33139  0.510548     1.27369  0.571696 0.285233  0.697512 0.332539  
1 1 1 48 43 0  o 1.97536  0.239247  4.21678      0.913846 4.21678      0.913846 4.21678      0.913846 2.01618  0.162687  ?        ?         
1 1 1 48 43 1  o 1.90095  0.166512  3.75394      0.633065 4.07479      0.884188 3.41644      0.906818 1.94957  0.226765  1.76869  0.256353  
1 1 1 48 43 2  o 1.03363  0.329935  1.25279      0.768297 2.64212      1.18396  0.242162     1.00978  1.44306  0.397687  0.802597 0.345985  
1 1 1 48 43 3  o 2.91844  0.158017  8.82351      0.922326 8.57467      1.40445  9.01221      1.22302  2.80462  0.250381  2.91114  0.210059  
1 1 1 48 43 4  o 1.03964  0.350894  1.27897      0.866304 0.851665     1.20047  1.74328      1.25139  0.964223 0.393398  1.17606  0.419868  
1 1 1 48 43 5  o 3.18798  0.145969  10.4918      0.930694 10.4983      1.31025  10.4852      1.32223  3.13828  0.208754  3.13429  0.21093   
1 1 1 48 43 6  o 1.72148  0.242132  3.2354       0.83365  3.34565      1.21041  3.13592      1.14984  1.632    0.377967  1.58603  0.369087  
1 1 1 48 43 7  o 0.652349 0.292783  -0.132529    0.79483  -0.242555    1.16315  -0.0361454   1.08866  0.756154 0.344802  0.765225 0.343067  
1 1 1 48 43 8  o 1.05664  0.337786  1.36875      0.805076 2.78586      1.17905  0.130878     1.10196  1.45427  0.395139  0.79205  0.350707  
1 1 1 48 43 9  f 1.74952  0.240834  3.38407      0.84269  1.67654      1.24714  4.81865      1.14313  1.12519  0.417133  2.05507  0.278124  
1 1 1 48 43 10 o 1.18985  0.32912   1.76472      0.809064 1.18467      1.17567  2.28656      1.11511  1.00355  0.396649  1.30355  0.394271  
1 1 1 48 43 11 o 0.798472 0.323423  0.563552     0.804867 0.285209     1.18356  0.803009     1.09778  0.826751 0.365099  0.907144 0.374161  
1 1 1 48 43 12 o 0.659638 0.296601  -0.0702652   0.819203 -1.65829     1.19151  1.35333      1.12814  0.598644 0.293423  1.02473  0.392493  
1 1 1 48 43 13 o 1.02396  0.344599  1.37766      0.835499 0.902429     1.19123  1.83779      1.17215  0.913604 0.384043  1.12602  0.405921  
1 1 1 48 43 14 o 1.69579  0.261505  3.37451      0.886918 3.58084      1.35982  3.22174      1.17005  1.53189  0.42768   1.50665  0.386446  
1 1 1 48 43 15 o 1.11437  0.332825  1.68754      0.797993 1.86902      1.13562  1.51052      1.12158  1.10375  0.399383  1.01355  0.390537  
1 1 1 48 43 16 o 1.42605  0.292413  2.56966      0.805291 0.769609     1.14398  4.33778      1.13379  0.850742 0.367517  1.85215  0.306075  
1 1 1 48 43 17 o 1.06301  0.342725  1.66178      0.827507 1.19869      1.13642  2.18448      1.20734  0.904954 0.377453  1.12139  0.411205  
1 1 1 48 43 18 o 1.39983  0.308575  2.70652      0.840668 3.3828       1.19578  2.04561      1.18211  1.4109   0.403384  1.04908  0.401786  
1 1 1 48 43 19 f 0.699142 0.309746  0.43304      0.861236 0.108239     1.19913  0.779084     1.23773  0.702175 0.330058  0.791948 0.35966   
1 1 1 48 43 20 o 0.694378 0.307764  0.450966     0.851446 -0.152856    1.19485  1.07391      1.21362  0.665681 0.318483  0.823317 0.365854  
1 1 1 48 43 21 o 0.862824 0.346751  1.43735      0.914982 0.365755     1.27416  2.57832      1.31476  0.683435 0.327434  0.990932 0.409182  
1 1 1 48 44 0  o 1.54939  0.477651  3.32488      1.2917   3.32488      1.2917   3.32488      1.2917   1.70634  0.293777  ?        ?         
1 1 1 48 44 1  o 2.21618  0.175742  5.15337      0.778953 4.47494      1.0883   5.866        1.11541  1.9999   0.272089  2.31661  0.240741  
1 1 1 48 44 2  o 1.16982  0.323645  1.6557       0.782273 0.41161      1.11796  2.84922      1.095    0.85112  0.365408  1.50699  0.366354  
1 1 1 48 44 3  o 3.18914  0.139662  10.4951      0.890802 10.8752      1.25215  10.1057      1.26756  3.19816  0.195761  3.0729   0.206248  
1 1 1 48 44 4  o 1.99857  0.222695  4.32698      0.890144 5.0778       1.23272  3.50893      1.28672  2.10596  0.292674  1.64289  0.395725  
1 1 1 48 44 5  o 1.51987  0.282793  2.68308      0.827518 2.2945       1.19686  3.03896      1.14541  1.30208  0.411413  1.53942  0.374973  
1 1 1 48 44 6  o 1.85434  0.232041  3.77397      0.860565 3.97195      1.22652  3.58201      1.20774  1.7821   0.356719  1.67557  0.370283  
1 1 1 48 44 7  o 0.573553 0.272165  -0.728207    0.843085 -1.09383     1.19649  -0.367657    1.18816  0.657218 0.315458  0.736952 0.340894  
1 1 1 48 44 8  f 0.955622 0.344709  1.09006      0.8454   0.0720742    1.20197  2.08669      1.18929  0.7998   0.359468  1.23151  0.411135  
1 1 1 48 44 9  o 1.29046  0.331112  2.08522      0.858741 1.86745      1.26026  2.27398      1.17329  1.16166  0.42069   1.28191  0.407575  
1 1 1 48 44 10 o 0.962976 0.336011  1.14328      0.797419 0.837341     1.1479   1.42862      1.10858  0.913556 0.380089  1.04582  0.392165  
1 1 1 48 44 11 o 1.24483  0.322574  1.97707      0.809469 1.26383      1.14836  2.68143      1.14119  0.990156 0.391808  1.37955  0.393958  
1 1 1 48 44 12 o 1.08112  0.34263   1.56983      0.829655 1.90169      1.17448  1.23928      1.17215  1.12968  0.406415  0.970953 0.391529  
1 1 1 48 44 13 o 0.751012 0.317504  0.472729     0.821906 -0.458414    1.14978  1.44573      1.17534  0.682285 0.321431  1.00222  0.396446  
1 1 1 48 44 14 o 1.16525  0.34488   1.88451      0.859481 1.829        1.25732  1.9332       1.17757  1.07452  0.413607  1.11092  0.406227  
1 1 1 48 44 15 o 0.712301 0.306905  0.366691     0.793778 -0.731207    1.11737  1.48529      1.12785  0.635766 0.305086  0.994096 0.389845  
1 1 1 48 44 16 o 0.694461 0.304226  0.369556     0.805712 0.43083      1.12767  0.305651     1.15161  0.758737 0.344193  0.744594 0.340856  
1 1 1 48 44 17 o 0.889462 0.338529  1.21317      0.834891 1.95677      1.21897  0.556106     1.14585  1.01569  0.403116  0.762277 0.34615   
1 1 1 48 44 18 o 1.1159   0.344245  1.95457      0.844474 3.07799      1.18578  0.798421     1.20294  1.30232  0.409171  0.7942   0.358132  
1 1 1 48 44 19 o 1.17803  0.3428    2.19426      0.856134 1.92528      1.2357   2.44256      1.18726  0.971026 0.398141  1.10184  0.407292  
1 1 1 48 44 20 o 1.00992  0.356836  1.95474      0.901776 0.16108      1.26284  3.82103      1.28815  0.662553 0.319489  1.29566  0.427882  
1 1 1 48 45 0  o 0.636232 0.414934  0.301958     1.2434   0.301958     1.2434   0.301958     1.2434   0.568164 0.361919  ?        ?         
1 1 1 48 45 1  o 1.26582  0.339451  2.00963      0.877241 2.27867      1.24642  1.74555      1.23488  1.28162  0.420894  1.14193  0.416147  
1 1 1 48 45 2  o 0.539383 0.26094   -1.09044     0.864481 -1.51292     1.22178  -0.666882    1.22335  0.626816 0.305103  0.710306 0.333732  
1 1 1 48 45 3  o 1.02422  0.335599  1.29427      0.792426 2.50281      1.11287  0.0513147    1.12861  1.37209  0.388152  0.779954 0.349497  
1 1 1 48 45 4  o 1.29988  0.335026  2.11345      0.876248 3.036        1.23758  1.18605      1.24083  1.49912  0.403715  1.00907  0.404517  
1 1 1 48 45 5  o 1.66975  0.246875  3.11015      0.82444  3.13892      1.15149  3.07989      1.18093  1.55449  0.374305  1.52696  0.386221  
1 1 1 48 45 6  o 1.37102  0.310994  2.2893       0.833339 2.65774      1.16347  1.90116      1.19417  1.39966  0.397174  1.17553  0.411095  
1 1 1 48 45 7  o 0.881931 0.334988  0.864561     0.816158 1.41481      1.16569  0.335436     1.14309  1.04867  0.399752  0.824178 0.361699  
1 1 1 48 45 8  o 0.829584 0.331279  0.692951     0.827866 1.17944      1.17746  0.217341     1.16421  0.984264 0.394267  0.801521 0.357169  
1 1 1 48 45 9  o 1.68723  0.26955   3.3162       0.909584 2.20233      1.27678  4.4641       1.29613  1.20929  0.424868  1.84182  0.364837  
1 1 1 48 45 10 o 0.663242 0.297935  0.00333991   0.82465  0.28133      1.14039  -0.301354    1.19391  0.78944  0.352593  0.720279 0.336445  
1 1 1 48 45 11 o 1.06678  0.34143   1.55011      0.822361 2.54801      1.1665   0.564118     1.15952  1.29747  0.405469  0.830697 0.364427  
1 1 1 48 45 12 o 1.24405  0.32616   2.06551      0.821448 2.40376      1.14901  1.71189      1.17483  1.2487   0.403978  1.05817  0.401916  
1 1 1 48 45 13 o 0.699227 0.305321  0.278534     0.806099 1.14857      1.15283  -0.553812    1.12758  0.925851 0.382783  0.659594 0.313827  
1 1 1 48 45 14 o 0.570577 0.270117  -0.485801    0.826088 -1.39012     1.13848  0.519775     1.20052  0.576728 0.284004  0.802111 0.359916  
1 1 1 48 45 15 o 1.60328  0.252444  3.16764      0.809474 3.96004      1.15267  2.39659      1.13703  1.63003  0.36301   1.16781  0.40183   
1 1 1 48 45 16 f 0.750563 0.317068  0.690036     0.81861  0.614079     1.18576  0.759205     1.13153  0.769795 0.350246  0.787236 0.351424  
1 1 1 48 45 17 o 0.849764 0.339924  1.0982       0.873531 0.623264     1.28062  1.51147      1.19458  0.777845 0.357481  0.918138 0.385202  
1 1 1 48 45 18 f 0.404215 0.204732  -2.21694     0.831713 -3.02909     1.16442  -1.37102     1.18838  0.46273  0.235681  0.558068 0.277171  
1 1 1 48 45 19 o 0.694804 0.307343  0.646814     0.843475 0.469006     1.20017  0.820354     1.18567  0.688637 0.325806  0.72963  0.338665  
1 1 1 48 46 0  o 2.07207  0.354276  5.0869       1.33928  5.0869       1.33928  5.0869       1.33928  2.17285  0.223324  ?        ?         
1 1 1 48 46 1  o 1.1468   0.353426  1.69661      0.890419 2.76986      1.27716  0.681553     1.24206  1.40107  0.421584  0.903793 0.386491  
1 1 1 48 46 2  o 0.94822  0.35117   1.07051      0.883451 1.96153      1.25597  0.197914     1.24291  1.1828   0.4208    0.823654 0.367981  
1 1 1 48 46 3  o 1.25117  0.344792  2.00534      0.889974 2.59875      1.25629  1.40752      1.26094  1.35224  0.420426  1.04737  0.411791  
1 1 1 48 46 4  o 1.25598  0.348142  2.04237      0.904256 0.629906     1.27588  3.46792      1.28177  0.893028 0.386984  1.58969  0.402543  
1 1 1 48 46 5  o 0.773501 0.323706  0.464196     0.840155 0.0693032    1.1243   0.963557     1.2643   0.767381 0.346123  0.944668 0.396305  
1 1 1 48 46 6  o 0.969979 0.341782  1.20204      0.826778 1.67244      1.17355  0.738486     1.16498  1.0881   0.404389  0.882507 0.375748  
1 1 1 48 46 7  o 1.36541  0.315477  2.36058      0.844842 3.39177      1.20241  1.35512      1.18731  1.56264  0.386404  1.00357  0.397992  
1 1 1 48 46 8  o 2.31947  0.188903  5.85904      0.876311 5.13062      1.23714  6.59256      1.24146  2.04429  0.302583  2.37369  0.261503  
1 1 1 48 46 9  o 0.973859 0.352386  1.28911      0.884082 2.34044      1.29436  0.369709     1.21042  1.20565  0.427357  0.806014 0.361539  
1 1 1 48 46 10 o 1.1442   0.343515  1.8107       0.848592 0.656069     1.18459  3.02782      1.21622  0.84267  0.369021  1.40939  0.40808   
1 1 1 48 46 11 o 1.32189  0.325112  2.32829      0.854708 2.24001      1.21283  2.41539      1.20469  1.17995  0.414136  1.22989  0.413789  
1 1 1 48 46 12 o 0.910827 0.347481  1.12927      0.881339 1.55128      1.18416  0.60521      1.31961  1.00441  0.397736  0.838636 0.3768    
1 1 1 48 46 13 o 0.688986 0.304664  0.310821     0.82787  -0.0133949   1.14854  0.66143      1.19437  0.703927 0.329267  0.803779 0.35987   
1 1 1 48 46 14 o 0.541893 0.261443  -0.660986    0.848363 -1.35435     1.1591   0.139004     1.24504  0.568069 0.280314  0.724014 0.339493  
1 1 1 48 46 15 o 1.15819  0.34684   2.11588      0.865832 2.12926      1.24884  2.1035       1.20147  1.02795  0.408013  1.0333   0.40295   
1 1 1 48 46 16 o 0.698848 0.308331  0.43528      0.841481 1.70857      1.2178   -0.728165    1.16409  0.95395  0.393852  0.613901 0.2985    
1 1 1 48 46 17 o 0.921644 0.347071  1.4892       0.870102 1.7257       1.28207  1.28725      1.18471  0.897543 0.388417  0.833644 0.367024  
1 1 1 48 47 0  o 1.6977   0.439165  3.87832      1.28624  3.87832      1.28624  3.87832      1.28624  1.85668  0.255671  ?        ?         
1 1 1 48 47 1  o 0.91723  0.349598  1.03391      0.891434 1.02961      1.27652  1.03801      1.24541  0.944526 0.397321  0.943603 0.394456  
1 1 1 48 47 2  f 0.940928 0.351464  1.12207      0.888704 0.971138     1.25783  1.27251      1.25581  0.93017  0.392989  0.988459 0.402671  
1 1 1 48 47 3  o 0.54042  0.261839  -1.03937     0.881856 0.031171     1.23433  -2.15553     1.26035  0.77475  0.353919  0.574409 0.285308  
1 1 1 48 47 4  o 0.781835 0.329221  0.525026     0.877914 -0.566025    1.24623  1.59987      1.23694  0.702154 0.332106  1.05001  0.408979  
1 1 1 48 47 5  o 0.980328 0.357049  1.29566      0.908927 2.4527       1.29143  0.159926     1.27949  1.24538  0.428271  0.793992 0.361942  
1 1 1 48 47 6  o 3.40622  0.156652  12.3465      1.06719  13.3217      1.52675  11.4149      1.4923   3.43617  0.222159  3.15722  0.236332  
1 1 1 48 47 7  o 2.50781  0.196742  6.94841      0.986784 5.209        1.39859  8.67265      1.39248  1.94085  0.373635  2.71464  0.256476  
1 1 1 48 47 8  o 0.744493 0.320112  0.425629     0.860228 0.338771     1.22192  0.510976     1.21124  0.796878 0.360056  0.821183 0.365167  
1 1 1 48 47 9  o 0.778754 0.32717   0.590264     0.863717 1.02625      1.25397  0.196712     1.19139  0.90748  0.388213  0.768268 0.349959  
1 1 1 48 47 10 o 1.21369  0.337204  2.03987      0.847356 2.01729      1.19038  2.06306      1.20647  1.11584  0.408391  1.12449  0.411182  
1 1 1 48 47 11 o 0.714764 0.312167  0.405973     0.842999 -0.121121    1.16145  0.992787     1.22548  0.697777 0.327318  0.865946 0.377304  
1 1 1 48 47 12 o 0.732432 0.313989  0.564678     0.823342 0.953249     1.16339  0.174774     1.16538  0.836036 0.365912  0.721007 0.335083  
1 1 1 48 47 13 f 0.642065 0.292955  0.111424     0.842416 0.916254     1.18074  -0.723007    1.20226  0.815318 0.361761  0.623676 0.303286  
1 1 1 48 47 14 o 0.519918 0.255032  -1.00968     0.903065 -1.72651     1.24324  -0.209005    1.31395  0.557491 0.277791  0.68816  0.330375  
1 1 1 48 47 15 o 1.31499  0.335804  2.61067      0.886383 3.84336      1.23513  1.30164      1.27279  1.48064  0.405374  0.863674 0.380334  
1 1 1 48 47 16 o 0.578241 0.276139  -0.207273    0.887774 0.156469     1.26608  -0.559107    1.24518  0.673469 0.32356   0.609392 0.299096  
1 1 1 48 48 0  o 0.910281 0.546877  1.90862      1.75157  1.90862      1.75157  1.90862      1.75157  0.9751   0.502099  ?        ?         
1 1 1 48 48 1  o 1.25054  0.524158  2.78435      1.30844  2.78435      1.30844  2.78435      1.30844  1.46139  0.366391  ?        ?         
1 1 1 48 48 2  o 2.3632   0.291081  6.43188      1.32867  6.43188      1.32867  6.43188      1.32867  2.4542   0.194206  ?        ?         
1 1 1 48 48 3  o 1.03879  0.515463  2.15359      1.28146  2.15359      1.28146  2.15359      1.28146  1.19701  0.418875  ?        ?         
1 1 1 48 48 4  o 0.789998 0.468225  1.25448      1.25568  1.25448      1.25568  1.25448      1.25568  0.819655 0.424444  ?        ?         
1 1 1 48 48 5  f 2.02342  0.366063  5.09084      1.33628  5.09084      1.33628  5.09084      1.33628  2.15273  0.225098  ?        ?         
1 1 1 48 48 6  o 0.76517  0.465681  1.16059      1.30698  1.16059      1.30698  1.16059      1.30698  0.779361 0.424597  ?        ?         
1 1 1 48 48 7  o 2.00122  0.370699  5.02952      1.33174  5.02952      1.33174  5.02952      1.33174  2.13553  0.226293  ?        ?         
1 1 1 48 48 8  o 1.02446  0.5178    2.1991       1.30315  2.1991       1.30315  2.1991       1.30315  1.19319  0.424669  ?        ?         
1 1 1 48 48 9  o 0.502659 0.35477   -0.576863    1.3221   -0.576863    1.3221   -0.576863    1.3221   0.421875 0.297883  ?        ?         
1 1 1 48 48 10 o 0.737044 0.451516  1.20561      1.2462   1.20561      1.2462   1.20561      1.2462   0.770643 0.41611   ?        ?         
1 1 1 48 48 11 o 0.61888  0.404731  0.617341     1.19265  0.617341     1.19265  0.617341     1.19265  0.5917   0.366983  ?        ?         
1 1 1 48 48 12 o 0.559866 0.37765   0.257798     1.18153  0.257798     1.18153  0.257798     1.18153  0.509813 0.335523  ?        ?         
1 1 1 48 48 13 o 0.769514 0.459688  1.39743      1.22615  1.39743      1.22615  1.39743      1.22615  0.833074 0.422065  ?        ?         
1 1 1 48 48 14 o 0.545113 0.374718  0.140737     1.26035  0.140737     1.26035  0.140737     1.26035  0.491902 0.330629  ?        ?         
1 1 1 48 48 15 o 0.448795 0.321892  -0.633439    1.21691  -0.633439    1.21691  -0.633439    1.21691  0.378263 0.271163  ?        ?         
1 1 1 49 0  0  o 0.596208 0.393738  -0.157498    1.16383  -0.157498    1.16383  -0.157498    1.16383  0.493066 0.327683  ?        ?         
1 1 1 49 0  1  o 3.91629  0.114332  15.3819      0.893784 15.3819      0.893784 15.3819      0.893784 3.91914  0.0807072 ?        ?         
1 1 1 49 0  2  f 7.43259  0.108873  55.297       1.61764  55.297       1.61764  55.297       1.61764  7.4344   0.0769475 ?        ?         
1 1 1 49 0  3  o 7.02133  0.100377  49.3431      1.4089   49.3431      1.4089   49.3431      1.4089   7.0229   0.0709447 ?        ?         
1 1 1 49 0  4  o 7.35846  0.107134  54.1993      1.57593  54.1993      1.57593  54.1993      1.57593  7.36024  0.0757187 ?        ?         
1 1 1 49 0  5  o 8.86652  0.108281  78.6777      1.91951  78.6777      1.91951  78.6777      1.91951  8.86828  0.0765381 ?        ?         
1 1 1 49 0  6  o 10.9067  0.123907  119.06       2.70205  119.06       2.70205  119.06       2.70205  10.9091  0.0875837 ?        ?         
1 1 1 49 0  7  o 18.3366  0.190922  336.743      7.00003  336.743      7.00003  336.743      7.00003  18.3435  0.134935  ?        ?         
1 1 1 49 0  8  o 4.83252  0.109322  23.3988      1.05538  23.3988      1.05538  23.3988      1.05538  4.83487  0.0772197 ?        ?         
1 1 1 49 0  9  o 6.16916  0.102444  38.1051      1.26321  38.1051      1.26321  38.1051      1.26321  6.17104  0.0723945 ?        ?         
1 1 1 49 0  10 o 2.67658  0.157848  7.2459       0.838259 7.2459       0.838259 7.2459       0.838259 2.68429  0.110838  ?        ?         
1 1 1 49 0  11 o 3.14641  0.153627  9.98148      0.961491 9.98148      0.961491 9.98148      0.961491 3.15294  0.108105  ?        ?         
1 1 1 49 0  12 o 6.15414  0.106848  37.9304      1.31423  37.9304      1.31423  37.9304      1.31423  6.15646  0.075499  ?        ?         
1 1 1 49 0  13 o 3.71442  0.118396  13.8497      0.87752  13.8497      0.87752  13.8497      0.87752  3.71798  0.0835412 ?        ?         
1 1 1 49 0  14 o 10.5029  0.135626  110.491      2.84786  110.491      2.84786  110.491      2.84786  10.5072  0.0958451 ?        ?         
1 1 1 49 0  15 o 1.12647  0.379813  1.64719      0.763023 1.64719      0.763023 1.64719      0.763023 1.20997  0.25315   ?        ?         
1 1 1 49 0  16 o 4.1231   0.121715  17.0632      1.0017   17.0632      1.0017   17.0632      1.0017   4.12693  0.0858998 ?        ?         
1 1 1 49 0  17 o 1.71898  0.242812  3.1407       0.787317 3.1407       0.787317 3.1407       0.787317 1.74804  0.162466  ?        ?         
1 1 1 49 0  18 o 5.31839  0.111023  28.3552      1.17977  28.3552      1.17977  28.3552      1.17977  5.32168  0.0784178 ?        ?         
1 1 1 49 0  19 o 3.14509  0.146481  9.9775       0.916839 9.9775       0.916839 9.9775       0.916839 3.15197  0.103091  ?        ?         
1 1 1 49 0  20 o 1.51269  0.319223  2.5915       0.849466 2.5915       0.849466 2.5915       0.849466 1.57007  0.19841   ?        ?         
1 1 1 49 0  21 o 5.31288  0.121319  28.3255      1.28759  28.3255      1.28759  28.3255      1.28759  5.31755  0.0856594 ?        ?         
1 1 1 49 0  22 o 2.23367  0.220983  5.16861      0.965034 5.16861      0.965034 5.16861      0.965034 2.25426  0.152971  ?        ?         
1 1 1 49 0  23 o 6.22194  0.127717  38.8649      1.58779  38.8649      1.58779  38.8649      1.58779  6.22801  0.0901786 ?        ?         
1 1 1 49 0  24 o 0.78163  0.445504  0.8565       1.07352  0.8565       1.07352  0.8565       1.07352  0.752721 0.391804  ?        ?         
1 1 1 49 0  25 o 2.23539  0.251101  5.24155      1.09035  5.24155      1.09035  5.24155      1.09035  2.26356  0.172614  ?        ?         
1 1 1 49 0  26 o 1.09351  0.476028  1.77497      1.0709   1.77497      1.0709   1.77497      1.0709   1.18094  0.366996  ?        ?         
1 1 1 49 0  27 o 2.36498  0.246216  5.855        1.13569  5.855        1.13569  5.855        1.13569  2.39331  0.169732  ?        ?         
1 1 1 49 0  28 o 1.97638  0.324171  4.30965      1.17734  4.30965      1.17734  4.30965      1.17734  2.03183  0.210005  ?        ?         
1 1 1 49 0  29 o 4.18819  0.159851  17.7604      1.33455  17.7604      1.33455  17.7604      1.33455  4.20124  0.11249   ?        ?         
1 1 1 49 0  30 o 2.12215  0.291611  4.8848       1.18588  4.8848       1.18588  4.8848       1.18588  2.16884  0.197057  ?        ?         
1 1 1 49 0  31 o 1.18483  0.497326  2.12126      1.17756  2.12126      1.17756  2.12126      1.17756  1.30008  0.369999  ?        ?         
1 1 1 49 0  32 o 0.950476 0.487875  1.48598      1.16725  1.48598      1.16725  1.48598      1.16725  0.999706 0.415937  ?        ?         
1 1 1 49 0  33 o 0.494699 0.346036  -0.840302    1.20236  -0.840302    1.20236  -0.840302    1.20236  0.392715 0.278826  ?        ?         
1 1 1 49 0  34 o 0.680427 0.42712   0.51293      1.18003  0.51293      1.18003  0.51293      1.18003  0.622157 0.375534  ?        ?         
1 1 1 49 0  35 o 1.52355  0.464368  3.19361      1.23308  3.19361      1.23308  3.19361      1.23308  1.67479  0.285128  ?        ?         
1 1 1 49 0  36 o 0.514077 0.357071  -0.521905    1.20442  -0.521905    1.20442  -0.521905    1.20442  0.422559 0.294336  ?        ?         
1 1 1 49 0  37 o 0.582532 0.397223  -0.0809674   1.35927  -0.0809674   1.35927  -0.0809674   1.35927  0.503998 0.340165  ?        ?         
1 1 1 49 0  38 o 0.696922 0.453688  0.756188     1.47854  0.756188     1.47854  0.756188     1.47854  0.663872 0.410147  ?        ?         
1 1 1 49 0  39 o 0.553694 0.397573  -0.763704    1.87066  -0.763704    1.87066  -0.763704    1.87066  0.476717 0.340495  ?        ?         
1 1 1 49 0  40 o 0.555147 0.40074   -0.493612    2.00249  -0.493612    2.00249  -0.493612    2.00249  0.492793 0.352046  ?        ?         
1 1 1 49 1  0  o 3.62885  0.127829  13.2236      0.925136 13.2236      0.925136 13.2236      0.925136 3.63265  0.0901657 ?        ?         
1 1 1 49 1  1  o 7.63941  0.076581  58.3803      1.17007  59.5266      1.64021  57.1924      1.66963  7.71284  0.10633   7.55991  0.110427  
1 1 1 49 1  2  o 4.99983  0.0743569 25.0063      0.743544 25.9645      1.00177  23.831       1.10953  5.0941   0.0983262 4.87986  0.113685  
1 1 1 49 1  3  o 5.98169  0.0705851 35.7912      0.844436 35.2957      1.17871  36.3136      1.21034  5.93927  0.0992305 6.02426  0.100455  
1 1 1 49 1  4  o 5.55868  0.070014  30.9082      0.778371 29.848       1.13384  31.8532      1.07045  5.46152  0.103803  5.6423   0.0948597 
1 1 1 49 1  5  o 10.4532  0.0852359 109.319      1.78197  108.819      2.54118  109.802      2.4995   10.4267  0.121859  10.4739  0.119321  
1 1 1 49 1  6  o 16.8535  0.123381  284.328      4.1588   286.172      5.71788  282.257      6.05987  16.9004  0.169164  16.7822  0.180545  
1 1 1 49 1  7  o 3.06809  0.0970718 9.41936      0.595649 9.61293      0.837241 9.22097      0.847606 3.09847  0.135106  3.03451  0.139661  
1 1 1 49 1  8  o 1.84199  0.150257  3.39867      0.553544 3.91546      0.762623 2.82324      0.804732 1.97596  0.192975  1.67659  0.239991  
1 1 1 49 1  9  o 2.93369  0.0979463 8.6133       0.574689 8.09161      0.794834 9.18479      0.831897 2.84228  0.139823  3.02829  0.137354  
1 1 1 49 1  10 f 9.05764  0.0797176 82.0886      1.44411  81.8848      2.09502  82.273       1.99332  9.04348  0.115831  9.06544  0.109941  
1 1 1 49 1  11 o 4.61007  0.0787783 21.2664      0.726347 23.2565      1.11657  19.8064      0.956359 4.81919  0.115846  4.44781  0.107509  
1 1 1 49 1  12 o 5.22839  0.0752105 27.353       0.786459 27.5974      1.11633  27.1121      1.10816  5.25008  0.106315  5.2037   0.106478  
1 1 1 49 1  13 o 4.23372  0.0850531 17.9397      0.720182 17.5963      1.02285  18.2774      1.01418  4.19108  0.122027  4.27163  0.118712  
1 1 1 49 1  14 o 5.64519  0.0795179 31.8948      0.897787 31.8624      1.27576  31.9267      1.26365  5.6399   0.113101  5.64568  0.111913  
1 1 1 49 1  15 o 3.59862  0.089613  12.965       0.644965 12.6281      0.888816 13.3397      0.937356 3.54957  0.1252    3.64799  0.128476  
1 1 1 49 1  16 o 5.96109  0.0800239 35.5707      0.95406  35.771       1.36941  35.3817      1.32994  5.97461  0.114602  5.9423   0.111905  
1 1 1 49 1  17 o 3.69313  0.0878261 13.658       0.648707 13.4092      0.913265 13.9113      0.921612 3.65676  0.124873  3.72468  0.123717  
1 1 1 49 1  18 o 5.16207  0.0793284 26.6802      0.818998 27.9122      1.19048  25.5731      1.12848  5.27658  0.112807  5.05076  0.111714  
1 1 1 49 1  19 o 2.89055  0.108577  8.37621      0.627696 7.98129      0.880338 8.78463      0.895242 2.81788  0.156206  2.95675  0.151389  
1 1 1 49 1  20 o 3.77971  0.0924853 14.3156      0.699136 13.6173      0.983945 15.0277      0.99358  3.68227  0.133606  3.8689   0.128406  
1 1 1 49 1  21 o 5.20353  0.0858057 27.1321      0.892986 26.4514      1.24703  27.8486      1.27933  5.13268  0.12148   5.26649  0.12146   
1 1 1 49 1  22 o 5.15647  0.0893468 26.654       0.921428 26.98        1.31688  26.3413      1.28974  5.18146  0.127076  5.11999  0.125952  
1 1 1 49 1  23 o 2.7086   0.130943  7.37983      0.709344 7.48172      1.00444  7.27847      1.00189  2.71919  0.184694  2.68164  0.186806  
1 1 1 49 1  24 o 3.25518  0.128063  10.6583      0.833737 10.5534      1.15614  10.772       1.20345  3.22996  0.17897   3.26209  0.18446   
1 1 1 49 1  25 o 3.47056  0.123278  12.1176      0.855688 11.9501      1.18461  12.3004      1.23737  3.43658  0.172353  3.48534  0.177511  
1 1 1 49 1  26 o 1.38284  0.290205  2.05783      0.777011 2.57254      1.12118  1.58215      1.07782  1.52598  0.370543  1.21809  0.390983  
1 1 1 49 1  27 o 4.72388  0.103949  22.4435      0.982082 22.0479      1.35378  22.8829      1.42684  4.66937  0.144964  4.75509  0.150033  
1 1 1 49 1  28 o 0.794213 0.32105   0.35014      0.790864 0.0121834    1.13181  0.672596     1.10555  0.841582 0.364584  0.968961 0.384115  
1 1 1 49 1  29 o 0.534546 0.255972  -0.99546     0.776205 -1.30235     1.07976  -0.667259    1.11661  0.633365 0.302958  0.725365 0.333549  
1 1 1 49 1  30 o 1.73962  0.240804  3.15852      0.837814 2.85762      1.17742  3.46713      1.19242  1.57959  0.377328  1.75761  0.351638  
1 1 1 49 1  31 o 1.57287  0.26109   2.61573      0.82132  2.53296      1.1744   2.69497      1.14906  1.47216  0.391843  1.52478  0.378161  
1 1 1 49 1  32 o 2.05477  0.207778  4.40126      0.853872 3.45434      1.20024  5.37163      1.21502  1.72883  0.359095  2.23843  0.271399  
1 1 1 49 1  33 o 0.979246 0.34293   1.05162      0.831233 1.34412      1.17651  0.760083     1.17458  1.09638  0.405409  0.959732 0.389945  
1 1 1 49 1  34 f 1.20139  0.334371  1.72416      0.832459 2.36486      1.18606  1.10209      1.16869  1.36315  0.405483  1.02133  0.397592  
1 1 1 49 1  35 o 1.00492  0.350305  1.21927      0.86653  2.24952      1.21804  0.163543     1.23301  1.28699  0.415893  0.828685 0.36847   
1 1 1 49 1  36 o 1.4305   0.315507  2.51188      0.878421 1.86135      1.23743  3.17271      1.24718  1.15513  0.417007  1.52135  0.403287  
1 1 1 49 1  37 o 0.755155 0.334459  0.302567     1.00311  0.252988     1.42152  0.351744     1.41573  0.823473 0.377688  0.835053 0.380677  
1 1 1 49 1  38 o 0.722375 0.3314    0.129506     1.09517  -0.659119    1.62361  0.787879     1.48348  0.734929 0.355898  0.861566 0.391935  
1 1 1 49 1  39 o 0.643296 0.313362  -0.670598    1.29754  1.07377      2.064    -1.81047     1.66847  0.849461 0.409331  0.633937 0.316712  
1 1 1 49 1  40 o 0.731887 0.349767  0.750605     1.43094  1.72291      1.98942  -0.29165     2.05973  0.799154 0.389057  0.69114  0.345702  
1 1 1 49 2  0  o 6.47065  0.095697  41.9085      1.23783  41.9085      1.23783  41.9085      1.23783  6.47216  0.0676355 ?        ?         
1 1 1 49 2  1  o 5.34952  0.0742102 28.627       0.793978 27.9564      1.10308  29.3479      1.14373  5.2856   0.104348  5.41551  0.105598  
1 1 1 49 2  2  o 5.58878  0.074097  31.2451      0.828224 31.0596      1.17694  31.4271      1.16571  5.57117  0.105628  5.60409  0.104005  
1 1 1 49 2  3  o 9.03285  0.0780592 81.6239      1.41019  80.5475      2.01268  82.6618      1.97644  8.97122  0.112174  9.08842  0.108734  
1 1 1 49 2  4  o 3.56044  0.0838215 12.6825      0.596883 12.5752      0.820562 12.8032      0.869832 3.54458  0.115749  3.57642  0.121607  
1 1 1 49 2  5  o 5.68468  0.0673071 32.3254      0.765238 32.9469      1.07473  31.6863      1.08985  5.73822  0.0936464 5.62725  0.0968368 
1 1 1 49 2  6  o 16.0485  0.113288  257.79       3.6362   257.781      5.20825  257.797      5.07891  16.0404  0.162348  16.0416  0.158304  
1 1 1 49 2  7  o 2.56349  0.106592  6.5771       0.546493 5.90141      0.817772 7.12237      0.734616 2.42666  0.168498  2.66685  0.137731  
1 1 1 49 2  8  o 13.5523  0.10292   183.824      2.78961  184.438      3.92787  183.198      3.96257  13.5691  0.144735  13.5232  0.14651   
1 1 1 49 2  9  o 3.60098  0.0809466 12.9747      0.582974 12.8179      0.828821 13.1282      0.820147 3.57805  0.11582   3.6212   0.113242  
1 1 1 49 2  10 o 6.82683  0.0731709 46.6308      0.99905  47.0688      1.42518  46.2077      1.40087  6.85695  0.103923  6.794    0.103096  
1 1 1 49 2  11 o 3.95392  0.0807423 15.6444      0.638496 15.5118      0.943935 15.7563      0.866915 3.93546  0.119927  3.96689  0.109269  
1 1 1 49 2  12 o 1.20308  0.234969  1.50579      0.545207 1.17288      0.830249 1.7582       0.722923 1.08297  0.342705  1.2946   0.286807  
1 1 1 49 2  13 o 4.36988  0.0840471 19.1129      0.734551 18.6446      1.06843  19.5326      1.01152  4.31375  0.123841  4.41591  0.114532  
1 1 1 49 2  14 o 1.73507  0.162403  3.02153      0.563561 3.34319      0.78123  2.67252      0.813755 1.8226   0.214318  1.62769  0.249972  
1 1 1 49 2  15 o 2.45872  0.115365  6.05743      0.5673   5.80247      0.800461 6.31472      0.804119 2.40377  0.166501  2.50801  0.16031   
1 1 1 49 2  16 o 2.96139  0.105051  8.78607      0.622196 9.0194       0.881224 8.55412      0.878618 2.99776  0.14698   2.91916  0.150492  
1 1 1 49 2  17 f 4.07056  0.0844533 16.5916      0.687545 16.5523      0.977733 16.6299      0.967025 4.06295  0.120323  4.07261  0.118723  
1 1 1 49 2  18 f 3.84313  0.0891745 14.7936      0.685419 15.3256      0.975557 14.275       0.963217 3.90862  0.124796  3.77199  0.12768   
1 1 1 49 2  19 o 1.12718  0.255884  1.33946      0.563799 1.96838      0.796127 0.706718     0.798543 1.3634   0.300074  0.916291 0.334574  
1 1 1 49 2  20 o 3.44242  0.100384  11.8807      0.691127 10.9455      0.961595 12.8801      0.994014 3.29951  0.145718  3.58014  0.138824  
1 1 1 49 2  21 o 2.62274  0.132462  6.9135       0.694826 6.62183      0.970683 7.21998      0.995034 2.56019  0.189572  2.67382  0.18607   
1 1 1 49 2  22 o 4.36054  0.0960786 19.0699      0.837909 19.5129      1.19269  18.6382      1.17742  4.40445  0.135396  4.30434  0.136772  
1 1 1 49 2  23 o 2.34346  0.160442  5.54289      0.751977 6.07297      1.04671  4.97748      1.08103  2.44407  0.214133  2.20712  0.244896  
1 1 1 49 2  24 o 3.15441  0.126868  10.0097      0.80039  10.7567      1.11887  9.22668      1.14544  3.2619   0.171506  3.01734  0.18981   
1 1 1 49 2  25 o 1.6936   0.221533  2.92488      0.750377 3.0943       1.02009  2.7251       1.1077   1.70179  0.311292  1.5811   0.358487  
1 1 1 49 2  26 o 4.30039  0.104299  18.594       0.897051 18.3319      1.26172  18.862       1.27564  4.25838  0.148145  4.31967  0.147655  
1 1 1 49 2  27 o 2.23794  0.187208  5.10694      0.837921 4.71079      1.15397  5.54877      1.21868  2.12673  0.2713    2.3107   0.263704  
1 1 1 49 2  28 o 1.02804  0.331898  1.11578      0.775858 0.526687     1.10892  1.68067      1.0859   0.935217 0.379292  1.23597  0.392016  
1 1 1 49 2  29 o 1.14343  0.332408  1.44475      0.805396 1.6464       1.17826  1.2679       1.10343  1.22402  0.409224  1.11129  0.394513  
1 1 1 49 2  30 o 1.69919  0.243688  3.0177       0.828144 2.96208      1.15106  3.07738      1.19237  1.61395  0.365093  1.64254  0.371604  
1 1 1 49 2  31 o 3.3617   0.136883  11.4864      0.920321 13.5948      1.33474  9.57563      1.27068  3.63395  0.183649  3.03693  0.209205  
1 1 1 49 2  32 o 1.07765  0.342596  1.31798      0.829011 0.104482     1.15795  2.594        1.1874   0.840296 0.366438  1.4675   0.395556  
1 1 1 49 2  33 o 1.80562  0.237744  3.48804      0.858549 3.57411      1.22109  3.40391      1.20737  1.73162  0.364101  1.68548  0.368323  
1 1 1 49 2  34 o 0.837271 0.330818  0.621804     0.81755  2.06635      1.16006  -0.803619    1.15236  1.27037  0.40541   0.68816  0.323495  
1 1 1 49 2  35 o 2.3208   0.193189  5.75244      0.896707 4.91942      1.24886  6.63894      1.28833  2.05143  0.304388  2.42533  0.265599  
1 1 1 49 2  36 o 0.637058 0.293855  -0.307237    0.874843 -0.115386    1.24416  -0.494862    1.23038  0.769452 0.353092  0.718541 0.337028  
1 1 1 49 2  37 o 0.871439 0.360731  0.901006     1.0258   0.322598     1.39597  1.57995      1.51243  0.823444 0.376254  1.01633  0.430236  
1 1 1 49 2  38 o 0.716187 0.334898  0.0836922    1.18702  -0.468881    1.5965   0.766784     1.77506  0.727957 0.35259   0.851856 0.400751  
1 1 1 49 2  39 f 0.912895 0.397228  1.54245      1.35479  2.04647      2.08121  1.1718       1.78472  0.935757 0.438808  0.860269 0.403938  
1 1 1 49 3  0  o 14.496   0.15048   210.357      4.36165  210.357      4.36165  210.357      4.36165  14.4998  0.106364  ?        ?         
1 1 1 49 3  1  o 1.82959  0.155055  3.35269      0.567377 3.63745      0.812598 3.0818       0.792562 1.90433  0.213355  1.75253  0.226119  
1 1 1 49 3  2  o 13.3085  0.106994  177.251      2.84785  172.274      3.83605  183.362      4.25074  13.1159  0.146236  13.5299  0.157087  
1 1 1 49 3  3  o 11.384   0.0872858 129.663      1.98733  131.13       2.81112  128.197      2.80989  11.4453  0.122807  11.3164  0.124151  
1 1 1 49 3  4  o 3.73946  0.078926  13.9896      0.590281 13.1754      0.834561 14.8047      0.835006 3.6281   0.115014  3.84608  0.108553  
1 1 1 49 3  5  o 4.3933   0.0732621 19.3086      0.643725 19.5324      0.912164 19.0866      0.908575 4.41781  0.103237  4.36708  0.104025  
1 1 1 49 3  6  o 11.3065  0.0888878 127.915      2.01003  128.295      2.79948  127.511      2.88779  11.32    0.123651  11.2849  0.127949  
1 1 1 49 3  7  o 12.0335  0.0927326 144.908      2.2318   143.164      3.1391   146.691      3.17368  11.9566  0.131271  12.103   0.131111  
1 1 1 49 3  8  f 6.43746  0.0697625 41.4589      0.898187 40.7211      1.31481  42.1045      1.22989  6.37827  0.10307   6.48618  0.0948085 
1 1 1 49 3  9  o 2.89415  0.0943002 8.38353      0.545838 8.7338       0.772869 8.03495      0.770996 2.9528   0.130871  2.832    0.136122  
1 1 1 49 3  10 o 6.59656  0.0745683 43.5403      0.983788 43.2942      1.42499  43.7645      1.35986  6.57574  0.108352  6.61177  0.102837  
1 1 1 49 3  11 f 1.06791  0.246511  1.19376      0.516217 0.463236     0.745398 1.86704      0.715597 0.828936 0.318593  1.3361   0.277088  
1 1 1 49 3  12 o 5.01155  0.0768559 25.1337      0.770334 26.3943      1.10806  23.9545      1.07168  5.13388  0.107916  4.89074  0.109562  
1 1 1 49 3  13 o 2.50536  0.117529  6.28857      0.588902 6.66625      0.874319 5.97495      0.796744 2.57688  0.169647  2.43996  0.16327   
1 1 1 49 3  14 o 2.12379  0.139933  4.52335      0.594377 5.53308      0.87804  3.66928      0.80753  2.34623  0.187117  1.90928  0.211475  
1 1 1 49 3  15 o 4.58655  0.0796576 21.0577      0.730708 20.8656      1.0227   21.2581      1.04439  4.56328  0.112058  4.60589  0.113376  
1 1 1 49 3  16 o 0.850534 0.280533  0.701321     0.553712 0.757521     0.76711  0.640191     0.800062 0.925686 0.328909  0.898394 0.333892  
1 1 1 49 3  17 o 6.21104  0.0781014 38.6233      0.970181 37.6913      1.36567  39.5729      1.3785   6.13186  0.111359  6.28328  0.109696  
1 1 1 49 3  18 o 0.665285 0.269367  0.192218     0.557992 0.201583     0.800849 0.183382     0.777891 0.77603  0.319744  0.76196  0.314694  
1 1 1 49 3  19 o 5.1673   0.0814224 26.7426      0.841467 26.4624      1.19142  27.0216      1.18861  5.13604  0.115987  5.19023  0.114504  
1 1 1 49 3  20 o 7.585    0.0852037 57.6456      1.29254  58.1317      1.83949  57.1716      1.81658  7.60947  0.120869  7.54649  0.120359  
1 1 1 49 3  21 o 3.01832  0.113277  9.1451       0.68381  8.83518      0.952441 9.47479      0.982358 2.96106  0.160828  3.06646  0.160178  
1 1 1 49 3  22 o 3.00973  0.119522  9.10136      0.71946  8.50113      0.99146  9.76898      1.04564  2.9015   0.170853  3.11083  0.168064  
1 1 1 49 3  23 o 2.35994  0.1577    5.61906      0.744323 5.94983      1.0344   5.26388      1.07187  2.41929  0.213781  2.27154  0.235934  
1 1 1 49 3  24 o 3.18985  0.123289  10.2353      0.786548 10.1355      1.10207  10.3389      1.12291  3.16501  0.174102  3.19627  0.17566   
1 1 1 49 3  25 o 6.09423  0.0970511 37.2891      1.1829   36.9515      1.63218  37.6626      1.71678  6.05516  0.134776  6.1111   0.140464  
1 1 1 49 3  26 o 2.25394  0.17143   5.15598      0.772789 5.60831      1.07443  4.67116      1.11233  2.33709  0.229865  2.12469  0.261763  
1 1 1 49 3  27 o 3.40784  0.132556  11.7311      0.903458 10.3842      1.24453  13.2317      1.31363  3.18749  0.195221  3.60307  0.182294  
1 1 1 49 3  28 o 0.657175 0.292531  -0.22744     0.779078 -0.884972    1.09169  0.454974     1.11216  0.687739 0.32143   0.919728 0.377512  
1 1 1 49 3  29 o 0.988611 0.339415  1.00717      0.810852 1.34761      1.17074  0.693322     1.12411  1.13851  0.406148  0.968611 0.386269  
1 1 1 49 3  30 o 1.73877  0.236294  3.15303      0.821722 3.67302      1.1396   2.58988      1.18596  1.85019  0.307968  1.49562  0.3918    
1 1 1 49 3  31 o 1.94556  0.21608   3.94115      0.840795 3.2348       1.17267  4.68841      1.20616  1.67934  0.359566  2.08971  0.288595  
1 1 1 49 3  32 o 0.906484 0.338812  0.799206     0.826127 -0.433317    1.1782   1.99125      1.15869  0.759412 0.346486  1.28174  0.404779  
1 1 1 49 3  33 o 1.23999  0.330955  1.81212      0.836338 1.198        1.18671  2.41813      1.17885  1.05568  0.403074  1.39184  0.401362  
1 1 1 49 3  34 o 1.94619  0.218976  4.06649      0.852338 3.90328      1.18878  4.23915      1.22272  1.8036   0.341956  1.88574  0.336292  
1 1 1 49 3  35 o 0.940153 0.344454  1.03532      0.847023 0.78164      1.19944  1.28768      1.19631  0.922014 0.386368  1.02835  0.401864  
1 1 1 49 3  36 o 1.62873  0.29423   3.2278       0.923335 4.29965      1.30594  2.15643      1.30565  1.78705  0.377121  1.19043  0.428486  
1 1 1 49 3  37 o 0.685689 0.314231  -0.0646931   0.981699 -2.0244      1.3682   2.01474      1.40938  0.601791 0.298683  1.09835  0.434236  
1 1 1 49 3  38 o 0.590724 0.290309  -1.13128     1.17952  -2.48708     1.5787   0.581891     1.7746   0.594416 0.299093  0.823229 0.392485  
1 1 1 49 3  39 o 1.21903  0.427044  3.02311      1.2891   3.07185      1.85947  2.978        1.78871  1.05037  0.46114   1.05111  0.456885  
1 1 1 49 4  0  o 5.67136  0.112072  32.2162      1.27008  32.2162      1.27008  32.2162      1.27008  5.67364  0.0791797 ?        ?         
1 1 1 49 4  1  o 12.3039  0.0948594 151.482      2.33428  149.551      3.22948  153.596      3.37786  12.2215  0.132123  12.3851  0.136368  
1 1 1 49 4  2  o 6.69671  0.0727964 44.8629      0.974993 43.8697      1.40545  45.7843      1.3537   6.62072  0.10614   6.76395  0.100067  
1 1 1 49 4  3  o 8.88057  0.0745785 78.8966      1.3246   78.0147      1.85679  79.8105      1.89019  8.82898  0.105153  8.92997  0.105834  
1 1 1 49 4  4  o 5.42963  0.0672857 29.4909      0.730672 29.9756      1.03886  29.0164      1.02788  5.47311  0.094906  5.38481  0.0954423 
1 1 1 49 4  5  o 7.50941  0.070831  56.4135      1.0638   56.7635      1.50485  56.0639      1.50403  7.53116  0.0999083 7.48457  0.100475  
1 1 1 49 4  6  o 8.96377  0.0766174 80.3888      1.37356  79.5286      1.92022  81.29        1.9656   8.91351  0.107714  9.01157  0.10906   
1 1 1 49 4  7  f 5.30029  0.0716155 28.1062      0.759167 29.0031      1.09949  27.289       1.0495   5.3829   0.102128  5.22149  0.100498  
1 1 1 49 4  8  o 3.4137   0.0860954 11.662       0.587809 11.2192      0.846701 12.0739      0.816685 3.34686  0.126492  3.47238  0.117597  
1 1 1 49 4  9  o 1.67131  0.153279  2.80025      0.512353 2.27136      0.720903 3.34005      0.728307 1.50255  0.239893  1.82375  0.199673  
1 1 1 49 4  10 o 3.50158  0.08402   12.2707      0.588406 11.5321      0.832941 13.0065      0.831326 3.39304  0.122742  3.60379  0.115341  
1 1 1 49 4  11 o 5.20719  0.0731369 27.1321      0.761675 26.6451      1.08589  27.6037      1.06866  5.15847  0.105253  5.25067  0.101764  
1 1 1 49 4  12 o 6.17002  0.076156  38.0982      0.939769 39.2569      1.31442  36.8864      1.34415  6.261    0.104969  6.06853  0.110747  
1 1 1 49 4  13 o 3.46495  0.0867465 12.0187      0.601144 10.982       0.835696 13.1303      0.865373 3.31016  0.126232  3.61989  0.11953   
1 1 1 49 4  14 o 7.57205  0.0826654 57.3958      1.25189  56.1637      1.76651  58.6389      1.77441  7.4862   0.117984  7.64965  0.11598   
1 1 1 49 4  15 o 4.75187  0.0867156 22.6091      0.824123 22.6104      1.14791  22.6077      1.1839   4.74911  0.120855  4.74845  0.124662  
1 1 1 49 4  16 o 4.1712   0.0854084 17.4227      0.71251  17.6689      0.98253  17.1496      1.03478  4.19804  0.117022  4.13514  0.125121  
1 1 1 49 4  17 f 1.84165  0.158628  3.40903      0.584274 4.00316      0.82283  2.80482      0.82979  1.9922   0.206513  1.66431  0.249289  
1 1 1 49 4  18 o 3.0704   0.105402  9.45053      0.647251 9.77754      0.939383 9.15497      0.893075 3.11914  0.150584  3.01846  0.147936  
1 1 1 49 4  19 o 7.54061  0.0840074 56.9612      1.26694  56.3276      1.74264  57.6716      1.84518  7.49255  0.116292  7.58019  0.121711  
1 1 1 49 4  20 o 4.60393  0.0908263 21.2457      0.836316 21.6668      1.18099  20.8221      1.18448  4.64423  0.127146  4.55231  0.130097  
1 1 1 49 4  21 o 2.32246  0.141539  5.42734      0.657439 5.63257      0.960937 5.24674      0.901431 2.35811  0.203752  2.27672  0.197967  
1 1 1 49 4  22 o 3.18743  0.117849  10.2091      0.751272 10.4635      1.06117  9.95344      1.06376  3.21935  0.164811  3.13905  0.169439  
1 1 1 49 4  23 o 2.43248  0.151153  5.96522      0.735352 6.47286      1.03059  5.43872      1.04956  2.52528  0.204055  2.31069  0.227109  
1 1 1 49 4  24 o 2.48454  0.150119  6.22827      0.745955 5.6069       1.01394  6.9614       1.10135  2.34611  0.21609   2.61539  0.210553  
1 1 1 49 4  25 f 5.52368  0.0993889 30.6541      1.09798  31.6104      1.54178  29.67        1.56403  5.59726  0.137726  5.4204   0.144273  
1 1 1 49 4  26 o 1.42278  0.278067  2.17093      0.763033 3.35149      1.06821  0.940996     1.09031  1.76205  0.314431  1.03592  0.388829  
1 1 1 49 4  27 o 3.12182  0.140499  9.85915      0.877228 9.94403      1.19769  9.76092      1.28845  3.1197   0.191957  3.08482  0.208837  
1 1 1 49 4  28 o 1.28567  0.30754   1.81994      0.781327 1.85743      1.08428  1.77944      1.12688  1.28651  0.388716  1.26335  0.399206  
1 1 1 49 4  29 o 3.53434  0.130268  12.6504      0.920821 11.366       1.30171  13.9369      1.30277  3.32401  0.195803  3.69045  0.176505  
1 1 1 49 4  30 o 0.805567 0.323799  0.416486     0.798065 0.157405     1.1147   0.688943     1.14311  0.850378 0.364975  0.967072 0.388019  
1 1 1 49 4  31 o 2.97082  0.147655  9.00395      0.877315 7.79054      1.21911  10.3073      1.2635   2.72881  0.223378  3.15241  0.200402  
1 1 1 49 4  32 o 1.91098  0.223597  3.8644       0.854581 2.75613      1.20869  4.97216      1.20843  1.49993  0.396744  2.13233  0.283358  
1 1 1 49 4  33 o 1.38003  0.309273  2.20888      0.832345 2.40069      1.17884  2.01819      1.1754   1.38121  0.402355  1.26844  0.408414  
1 1 1 49 4  34 o 1.55225  0.285289  2.78007      0.852559 3.62828      1.20995  1.94368      1.20149  1.70836  0.364836  1.21527  0.413239  
1 1 1 49 4  35 o 0.629544 0.289541  -0.322641    0.84183  -0.286392    1.19173  -0.358744    1.18932  0.745484 0.343528  0.735543 0.340555  
1 1 1 49 4  36 o 0.797766 0.336685  0.561917     0.921578 -0.0127552   1.32509  1.10029      1.28256  0.7838   0.361585  0.947906 0.39848   
1 1 1 49 4  37 o 0.611676 0.292354  -0.653111    1.00049  -0.662317    1.4499   -0.644743    1.38233  0.720564 0.346202  0.70854  0.339845  
1 1 1 49 4  38 o 0.795067 0.357033  0.775643     1.18339  -0.092899    1.67333  1.64467      1.6738   0.748209 0.362151  0.91631  0.4167    
1 1 1 49 4  39 o 0.672337 0.32338   -0.101789    1.27355  -0.0799358   1.82437  -0.122561    1.77863  0.728903 0.359049  0.722839 0.355641  
1 1 1 49 5  0  o 17.7346  0.176188  314.982      6.24786  314.982      6.24786  314.982      6.24786  17.7411  0.124524  ?        ?         
1 1 1 49 5  1  o 4.27298  0.0769787 18.2667      0.657857 19.0132      0.953676 17.5889      0.908657 4.3584   0.109407  4.19201  0.10838   
1 1 1 49 5  2  o 3.78968  0.0822067 14.3692      0.623074 13.1882      0.903953 15.4382      0.860008 3.62935  0.124534  3.92729  0.109491  
1 1 1 49 5  3  o 6.46174  0.0692879 41.7701      0.895441 41.5225      1.23341  42.0461      1.30207  6.44141  0.0957403 6.48166  0.100443  
1 1 1 49 5  4  f 2.64998  0.0980166 7.02802      0.519485 7.75261      0.73806  6.31661      0.731311 2.7823   0.132635  2.51106  0.145618  
1 1 1 49 5  5  o 3.4207   0.0790946 11.7076      0.541118 11.9881      0.77125  11.4357      0.759401 3.46049  0.111436  3.3798   0.112344  
1 1 1 49 5  6  o 7.81803  0.0710188 61.1505      1.11045  61.0824      1.54832  61.2227      1.5935   7.81194  0.0990993 7.8207   0.101877  
1 1 1 49 5  7  o 6.73721  0.0685286 45.4117      0.923383 44.7346      1.31367  46.0729      1.29819  6.68514  0.0982532 6.78457  0.0956719 
1 1 1 49 5  8  o 9.16856  0.0800559 84.1197      1.46799  82.5312      2.07196  85.7208      2.08018  9.07842  0.114114  9.25238  0.112413  
1 1 1 49 5  9  o 5.53291  0.0713977 30.6304      0.790074 30.4677      1.10726  30.7992      1.12769  5.51667  0.100355  5.54652  0.101658  
1 1 1 49 5  10 o 6.44773  0.0709364 41.5979      0.914757 40.194       1.23971  43.2758      1.35533  6.33629  0.0978265 6.57431  0.103078  
1 1 1 49 5  11 o 4.89442  0.0742654 23.9723      0.726972 23.0976      1.00514  24.9318      1.05269  4.80261  0.104646  4.98961  0.105488  
1 1 1 49 5  12 o 1.92047  0.141067  3.69845      0.54183  3.00358      0.760096 4.41635      0.772584 1.72725  0.22003   2.09654  0.184252  
1 1 1 49 5  13 o 2.79935  0.100649  7.84817      0.563503 8.48957      0.808724 7.24292      0.785606 2.90947  0.138981  2.68696  0.146189  
1 1 1 49 5  14 o 8.90231  0.0862117 79.347       1.53497  79.6964      2.13805  78.9753      2.20504  8.91676  0.119889  8.87556  0.12422   
1 1 1 49 5  15 o 1.10598  0.26692   1.28821      0.584526 0.43889      0.874486 1.97414      0.785885 0.865907 0.34214   1.36829  0.29557   
1 1 1 49 5  16 o 11.3945  0.0965053 130.074      2.19926  132.793      3.0585   127.163      3.16466  11.5035  0.132937  11.2547  0.140592  
1 1 1 49 5  17 o 3.82501  0.088092  14.6546      0.673904 15.3558      0.946973 13.9352      0.959235 3.91266  0.121014  3.72653  0.128703  
1 1 1 49 5  18 o 1.11631  0.259187  1.31528      0.568051 1.03767      0.793224 1.60752      0.813864 1.02349  0.335768  1.23063  0.325579  
1 1 1 49 5  19 o 1.28698  0.250906  1.73921      0.622781 1.41298      0.861228 2.09679      0.901653 1.16148  0.345531  1.40123  0.327327  
1 1 1 49 5  20 o 3.85945  0.098307  14.9377      0.758821 13.9768      1.08441  15.8596      1.06221  3.72704  0.145478  3.97204  0.133711  
1 1 1 49 5  21 o 3.67487  0.101299  13.5495      0.744519 13.8759      1.0486   13.2176      1.05728  3.71291  0.141209  3.62298  0.145913  
1 1 1 49 5  22 o 3.76267  0.109587  14.219       0.824679 13.7554      1.20638  14.6256      1.12992  3.69099  0.163422  3.80918  0.148315  
1 1 1 49 5  23 o 2.59443  0.144036  6.78351      0.747384 6.79619      1.03713  6.7698       1.07797  2.5874   0.20042   2.58072  0.208851  
1 1 1 49 5  24 o 0.592544 0.268693  -0.359572    0.686528 -0.343559    0.941314 -0.377769    1.00346  0.714722 0.319751  0.734903 0.329424  
1 1 1 49 5  25 o 2.05792  0.180894  4.3044       0.74453  4.24537      1.03753  4.36708      1.06903  2.02765  0.255846  2.05543  0.260049  
1 1 1 49 5  26 o 4.1564   0.112869  17.3987      0.938261 17.6907      1.2821   17.0621      1.37675  4.1785   0.153416  4.09829  0.167967  
1 1 1 49 5  27 o 1.10231  0.327114  1.3199       0.772521 2.59225      1.07968  -0.0147889   1.10581  1.52322  0.359719  0.826953 0.359339  
1 1 1 49 5  28 o 1.66178  0.253707  2.88338      0.843211 3.08486      1.17418  2.66882      1.21166  1.65499  0.364567  1.526    0.394295  
1 1 1 49 5  29 o 1.45659  0.287565  2.31937      0.807908 1.31169      1.10833  3.46191      1.18016  1.1186   0.395561  1.7577   0.348092  
1 1 1 49 5  30 o 1.22608  0.329157  1.70166      0.824274 2.43039      1.18061  1.00862      1.15134  1.43797  0.397493  1.03821  0.396842  
1 1 1 49 5  31 o 2.67289  0.166425  7.34319      0.889668 7.16551      1.22709  7.54008      1.29176  2.6057   0.235462  2.669    0.241993  
1 1 1 49 5  32 o 0.975937 0.343037  1.04231      0.832399 0.962629     1.18535  1.11984      1.1692   1.00576  0.39804   1.03917  0.399123  
1 1 1 49 5  33 o 0.907678 0.336683  0.856987     0.812696 0.0983907    1.16001  1.58827      1.13893  0.820617 0.36204   1.14189  0.40127   
1 1 1 49 5  34 o 0.65428  0.295755  -0.169761    0.825352 0.336907     1.15718  -0.694417    1.17754  0.840287 0.366376  0.697744 0.327712  
1 1 1 49 5  35 f 0.707033 0.310433  0.119187     0.842819 0.937595     1.2105   -0.650837    1.17418  0.946797 0.391891  0.692689 0.325891  
1 1 1 49 5  36 o 0.733059 0.322954  0.272291     0.918611 -0.300733    1.30747  0.830887     1.29091  0.738879 0.346722  0.891545 0.387841  
1 1 1 49 5  37 o 1.7336   0.33257   4.04673      1.11195  3.91729      1.51821  4.1965       1.63314  1.48211  0.462455  1.49817  0.481318  
1 1 1 49 5  38 o 0.620873 0.301397  -0.640105    1.17833  1.63011      1.72262  -2.63642     1.61537  0.89649  0.413076  0.583932 0.294508  
1 1 1 49 5  39 o 0.873499 0.38723   1.8471       1.34879  1.01991      2.00125  2.53559      1.82576  0.762642 0.375662  0.885993 0.414667  
1 1 1 49 6  0  o 12.1722  0.13543   148.331      3.29604  148.331      3.29604  148.331      3.29604  12.1756  0.095723  ?        ?         
1 1 1 49 6  1  o 6.51939  0.0684021 42.5193      0.89188  41.7337      1.25645  43.3173      1.26623  6.45756  0.0972849 6.57899  0.0962327 
1 1 1 49 6  2  o 4.35101  0.0749337 18.9404      0.652074 18.1796      0.926994 19.6857      0.917424 4.26157  0.108762  4.4348   0.103435  
1 1 1 49 6  3  o 7.16668  0.0702987 51.3838      1.00762  49.3354      1.41844  53.4705      1.43162  7.02073  0.101018  7.30923  0.0979321 
1 1 1 49 6  4  o 11.915   0.0898022 142.073      2.13999  142.16       3.0429   141.988      3.01016  11.9141  0.127702  11.9071  0.126402  
1 1 1 49 6  5  o 3.25151  0.0815221 10.5792      0.530141 10.3691      0.760967 10.7774      0.738981 3.21792  0.118239  3.28087  0.11262   
1 1 1 49 6  6  o 12.1061  0.0893094 146.678      2.16237  142.302      2.99477  151.445      3.12553  11.9194  0.125626  12.2961  0.127094  
1 1 1 49 6  7  o 2.53212  0.100646  6.41859      0.509697 5.92206      0.727882 6.89631      0.71396  2.43062  0.149732  2.62349  0.136071  
1 1 1 49 6  8  o 6.04813  0.0694881 36.5995      0.840546 36.7552      1.23476  36.4652      1.14746  6.05909  0.101893  6.0356   0.0950579 
1 1 1 49 6  9  o 6.36295  0.068763  40.5097      0.875072 40.7923      1.26647  40.2515      1.2105   6.38318  0.0992036 6.34099  0.0954507 
1 1 1 49 6  10 o 4.82586  0.0730768 23.3047      0.705316 23.4273      0.987819 23.1772      1.0074   4.83696  0.102111  4.81091  0.1047    
1 1 1 49 6  11 o 9.15682  0.082643  83.9262      1.51349  82.3176      2.09867  85.6693      2.18472  9.06453  0.115763  9.24688  0.118133  
1 1 1 49 6  12 o 5.90204  0.0759729 34.8635      0.89679  34.11        1.1927   35.8436      1.36027  5.83588  0.102186  5.98126  0.113711  
1 1 1 49 6  13 o 7.41469  0.0793829 55.0323      1.1772   54.848       1.6223   55.2373      1.71085  7.39886  0.109632  7.42432  0.115219  
1 1 1 49 6  14 o 4.23705  0.083403  17.9744      0.706766 18.9314      1.00675  17.0443      0.992441 4.34592  0.115827  4.12324  0.120347  
1 1 1 49 6  15 o 5.95594  0.0782375 35.5146      0.931956 35.076       1.23772  36.0888      1.41621  5.91634  0.104602  5.99943  0.118029  
1 1 1 49 6  16 o 4.50258  0.0853792 20.3035      0.768853 19.0847      1.051    21.7067      1.1277   4.36216  0.120467  4.65209  0.121203  
1 1 1 49 6  17 o 2.68818  0.114018  7.24717      0.613003 6.42905      0.841486 8.17225      0.894801 2.52783  0.166444  2.85097  0.156929  
1 1 1 49 6  18 o 4.33566  0.0865323 18.833       0.750348 18.5751      1.02466  19.1312      1.10184  4.3023   0.119083  4.36529  0.126205  
1 1 1 49 6  19 o 2.8863   0.119814  8.36438      0.691641 8.06486      0.969185 8.67521      0.987322 2.8283   0.171337  2.9338   0.168267  
1 1 1 49 6  20 o 3.27319  0.112555  10.7554      0.736826 11.3975      0.992276 9.96624      1.10011  3.36479  0.14745   3.14217  0.175055  
1 1 1 49 6  21 o 5.07581  0.0902929 25.8358      0.91662  26.0952      1.29015  25.5714      1.30253  5.09424  0.126628  5.04229  0.129161  
1 1 1 49 6  22 o 3.9907   0.10787   15.992       0.860956 13.8157      1.16311  18.6298      1.28049  3.70047  0.157157  4.29902  0.148928  
1 1 1 49 6  23 o 0.514729 0.24496   -0.836334    0.687363 -0.916469    0.929897 -0.739808    1.02057  0.622886 0.292312  0.687368 0.317186  
1 1 1 49 6  24 o 2.11311  0.164092  4.518        0.693489 3.5536       0.933428 5.70614      1.03607  1.85945  0.250995  2.36386  0.219148  
1 1 1 49 6  25 o 3.20851  0.126278  10.378       0.81033  11.2284      1.14339  9.51975      1.14858  3.32599  0.171888  3.05811  0.187793  
1 1 1 49 6  26 o 3.88567  0.11797   15.2197      0.916787 14.8706      1.26059  15.6117      1.33574  3.8263   0.164727  3.91834  0.170447  
1 1 1 49 6  27 o 2.6788   0.155839  7.28523      0.834922 7.47397      1.18074  7.09647      1.18078  2.69315  0.219211  2.62212  0.225157  
1 1 1 49 6  28 o 2.48355  0.171661  6.30028      0.852659 6.73021      1.20785  5.87321      1.20384  2.54276  0.237508  2.36863  0.254122  
1 1 1 49 6  29 o 1.97304  0.213653  4.029        0.843092 4.10935      1.12465  3.92591      1.27386  1.96643  0.285963  1.87052  0.353401  
1 1 1 49 6  30 o 0.831073 0.329789  0.503751     0.815715 -0.00424915  1.16213  0.997098     1.14525  0.832613 0.365055  1.0328   0.395495  
1 1 1 49 6  31 o 1.28723  0.320557  1.90489      0.823101 1.8982       1.15835  1.91171      1.16981  1.25892  0.405451  1.26259  0.407533  
1 1 1 49 6  32 o 1.18292  0.337303  1.65086      0.837168 0.438835     1.15298  3.00235      1.21752  0.887606 0.375692  1.56333  0.390205  
1 1 1 49 6  33 o 0.661236 0.295788  -0.131027    0.805292 0.0448788    1.13479  -0.309474    1.14296  0.800139 0.354887  0.748829 0.341552  
1 1 1 49 6  34 o 1.32696  0.324744  2.16634      0.85601  2.15442      1.20242  2.17858      1.21891  1.25366  0.413399  1.25814  0.416224  
1 1 1 49 6  35 o 1.08899  0.352242  1.55519      0.873586 1.53441      1.20771  1.578        1.26517  1.06219  0.406314  1.07143  0.414381  
1 1 1 49 6  36 o 0.59338  0.282205  -0.599665    0.910958 0.500602     1.33393  -1.56125     1.24703  0.838512 0.377674  0.60367  0.29726   
1 1 1 49 6  37 o 0.821038 0.353898  0.84738      1.05629  -0.668309    1.41973  2.72664      1.58086  0.687819 0.333036  1.13637  0.456158  
1 1 1 49 6  38 o 0.700977 0.328873  0.112179     1.17425  1.33047      1.69064  -1.02334     1.63219  0.873532 0.405053  0.675268 0.333074  
1 1 1 49 7  0  o 2.271    0.183132  5.26528      0.819339 5.26528      0.819339 5.26528      0.819339 2.28309  0.127796  ?        ?         
1 1 1 49 7  1  o 5.44831  0.067913  29.6971      0.740021 28.8232      1.03045  30.6278      1.06343  5.36638  0.0960094 5.53182  0.0961194 
1 1 1 49 7  2  o 2.37011  0.112712  5.62433      0.534277 5.40494      0.744197 5.85767      0.767505 2.32198  0.160251  2.41733  0.158751  
1 1 1 49 7  3  o 3.59061  0.0814124 12.9011      0.58464  12.9596      0.843968 12.847       0.810651 3.59748  0.1173    3.582    0.113156  
1 1 1 49 7  4  o 4.53238  0.0689253 20.5526      0.624792 20.8345      0.902975 20.2937      0.865401 4.56219  0.0989628 4.50272  0.0960977 
1 1 1 49 7  5  o 6.53707  0.0685046 42.7545      0.895638 42.6793      1.2977   42.8229      1.23768  6.52955  0.0993714 6.54084  0.0946115 
1 1 1 49 7  6  o 9.36742  0.0801382 87.8099      1.50138  87.1266      2.10192  88.5217      2.14528  9.32773  0.11267   9.40195  0.114087  
1 1 1 49 7  7  o 1.05798  0.233191  1.17059      0.480145 1.58029      0.674006 0.748445     0.684162 1.22752  0.280545  0.903562 0.311622  
1 1 1 49 7  8  o 7.59347  0.0716523 57.6959      1.08818  56.2249      1.53721  59.1734      1.54063  7.49363  0.102568  7.68783  0.100199  
1 1 1 49 7  9  o 4.84713  0.0723302 23.5103      0.701187 24.9147      1.01149  22.2109      0.972898 4.9882   0.101388  4.70965  0.103288  
1 1 1 49 7  10 o 6.76077  0.0713237 45.7398      0.964406 45.2464      1.34817  46.2569      1.38014  6.72191  0.100282  6.79644  0.101534  
1 1 1 49 7  11 o 2.28433  0.114905  5.22811      0.52496  6.41418      0.769543 4.19575      0.71795  2.52836  0.152182  2.04377  0.175644  
1 1 1 49 7  12 o 2.64122  0.104989  6.98795      0.554598 6.07952      0.773215 7.95051      0.795918 2.46092  0.157099  2.81527  0.141357  
1 1 1 49 7  13 o 2.57042  0.110796  6.62079      0.569587 7.24143      0.803234 5.99305      0.807821 2.68587  0.149529  2.44238  0.165376  
1 1 1 49 7  14 o 1.45624  0.19267   2.13518      0.561148 1.68634      0.801135 2.56749      0.786241 1.26238  0.317396  1.59338  0.246721  
1 1 1 49 7  15 o 5.98051  0.0798966 35.8122      0.955644 35.1388      1.32824  36.5349      1.376    5.92037  0.112175  6.03659  0.113971  
1 1 1 49 7  16 o 0.669156 0.270891  0.19527      0.564201 1.0205       0.819915 -0.546917    0.777568 1.02359  0.34137   0.610504 0.279728  
1 1 1 49 7  17 o 2.70678  0.118372  7.35088      0.640816 7.24221      0.900976 7.46214      0.911619 2.68223  0.167953  2.72271  0.16741   
1 1 1 49 7  18 o 4.71495  0.0862584 22.275       0.813407 21.5026      1.13038  23.1045      1.17138  4.62792  0.122126  4.79722  0.122089  
1 1 1 49 7  19 o 3.06936  0.11448   9.45718      0.702758 9.07648      0.977648 9.86419      1.01088  3.00113  0.16288   3.12885  0.161542  
1 1 1 49 7  20 o 2.67428  0.123057  7.18646      0.658175 7.49458      0.90574  6.84172      0.958063 2.72543  0.166165  2.60139  0.184145  
1 1 1 49 7  21 o 1.42708  0.234855  2.07714      0.670313 1.6424       0.990143 2.44496      0.910757 1.24057  0.370782  1.51128  0.311961  
1 1 1 49 7  22 o 1.75882  0.206066  3.14174      0.724865 2.09334      1.03413  4.15438      1.01633  1.38748  0.366967  2.01462  0.252239  
1 1 1 49 7  23 o 2.93469  0.124593  8.66588      0.731283 8.27379      1.01532  9.08853      1.05415  2.8583   0.177609  2.99609  0.175921  
1 1 1 49 7  24 o 1.49271  0.236795  2.29001      0.706933 1.49022      0.974717 3.1776       1.02683  1.17976  0.371033  1.71918  0.30996   
1 1 1 49 7  25 o 0.876063 0.318333  0.691113     0.722133 0.72501      0.964703 0.647914     1.08907  0.948759 0.36308   0.962922 0.381392  
1 1 1 49 7  26 o 2.10922  0.181832  4.53577      0.767048 4.68236      1.05226  4.36957      1.12049  2.12569  0.24751   2.04544  0.273899  
1 1 1 49 7  27 o 1.0131   0.334621  1.07596      0.787815 0.514875     1.13683  1.59438      1.09276  0.937742 0.382749  1.20694  0.394097  
1 1 1 49 7  28 o 1.76332  0.233903  3.23671      0.824894 4.51537      1.16777  1.96328      1.16538  2.06411  0.282875  1.30992  0.404458  
1 1 1 49 7  29 o 0.866332 0.330512  0.634526     0.797376 0.157141     1.08598  1.19295      1.17454  0.84189  0.36075   1.0939   0.404955  
1 1 1 49 7  30 o 2.33572  0.181349  5.61774      0.84716  7.32725      1.21966  4.02415      1.17758  2.64396  0.23065   1.9262   0.305675  
1 1 1 49 7  31 o 1.07957  0.339245  1.3404       0.815074 1.4607       1.13372  1.2117       1.17264  1.12845  0.399963  1.06804  0.402748  
1 1 1 49 7  32 o 4.13412  0.118202  17.3979      0.977323 17.038       1.34493  17.8006      1.42263  4.05642  0.165778  4.14098  0.171775  
1 1 1 49 7  33 o 0.919076 0.337393  0.923604     0.812994 1.54555      1.14859  0.299148     1.15091  1.1157   0.401859  0.842032 0.366253  
1 1 1 49 7  34 o 0.958184 0.345129  1.09638      0.847193 0.474969     1.19955  1.71481      1.19668  0.865191 0.375081  1.1322   0.409949  
1 1 1 49 7  35 o 1.40082  0.32778   2.51477      0.902962 2.3756       1.26396  2.65981      1.29041  1.25252  0.423846  1.32355  0.428107  
1 1 1 49 7  36 o 1.1522   0.367542  1.92783      0.95354  2.24989      1.34646  1.6038       1.35057  1.15913  0.432683  1.02005  0.416903  
1 1 1 49 7  37 o 0.780358 0.346442  0.668093     1.08488  -0.250402    1.54884  1.5528       1.52008  0.731894 0.353147  0.927327 0.411089  
1 1 1 49 7  38 f 0.793434 0.35684   0.828221     1.1864   0.320595     1.5979   1.45184      1.77108  0.765118 0.366596  0.876407 0.40953   
1 1 1 49 8  0  o 3.97232  0.119164  15.8336      0.944789 15.8336      0.944789 15.8336      0.944789 3.97575  0.0841027 ?        ?         
1 1 1 49 8  1  o 9.83899  0.0803756 96.8711      1.58163  94.7913      2.21675  99.0277      2.25732  9.72952  0.113919  9.94461  0.113495  
1 1 1 49 8  2  o 1.48889  0.168757  2.22346      0.502521 1.95146      0.73246  2.46535      0.690719 1.36713  0.277546  1.56615  0.220514  
1 1 1 49 8  3  o 13.7799  0.10278   190.099      2.83259  187.722      3.9735   192.554      4.03907  13.6858  0.145168  13.8607  0.145702  
1 1 1 49 8  4  o 4.44597  0.0716323 19.7777      0.63695  19.5035      0.889143 20.0668      0.912895 4.41385  0.100722  4.47707  0.101952  
1 1 1 49 8  5  f 5.48478  0.068331  30.0984      0.749561 30.5118      1.06525  29.693       1.0549   5.52089  0.0964747 5.44628  0.0968461 
1 1 1 49 8  6  o 5.01589  0.0710122 25.1737      0.712379 25.7679      1.0103   24.5862      1.00464  5.07331  0.0995701 4.95551  0.101365  
1 1 1 49 8  7  o 4.32731  0.0730052 18.7377      0.631833 18.6205      0.906458 18.8485      0.881171 4.31226  0.105102  4.33877  0.101546  
1 1 1 49 8  8  o 5.09462  0.0727891 25.9729      0.741666 25.3901      1.06792  26.5158      1.03082  5.03522  0.106045  5.14603  0.100157  
1 1 1 49 8  9  o 9.30307  0.0826544 86.6283      1.53788  86.1814      2.21408  87.0449      2.13771  9.27432  0.119366  9.32137  0.114667  
1 1 1 49 8  10 o 4.98122  0.0753713 24.8328      0.750882 24.9199      1.05018  24.7418      1.07403  4.98798  0.105272  4.9699   0.108054  
1 1 1 49 8  11 o 3.13549  0.0900728 9.84351      0.564845 9.68116      0.781733 10.0209      0.81706  3.10766  0.125775  3.1615   0.129221  
1 1 1 49 8  12 o 6.72688  0.0767541 45.2951      1.03263  44.7993      1.40257  45.8821      1.52594  6.68707  0.104871  6.76644  0.112758  
1 1 1 49 8  13 f 0.672428 0.264961  0.262386     0.523117 -0.555126    0.754513 1.0191       0.725914 0.598054 0.274661  1.00792  0.320602  
1 1 1 49 8  14 o 3.54153  0.0928628 12.5637      0.657753 12.4859      0.96208  12.6319      0.901298 3.52712  0.136383  3.54853  0.126996  
1 1 1 49 8  15 o 4.50017  0.0825244 20.2802      0.742747 20.6663      1.02946  19.8609      1.07268  4.54     0.113377  4.44989  0.120529  
1 1 1 49 8  16 o 2.23601  0.13149   5.01928      0.588026 4.29825      0.812448 5.81253      0.852161 2.06424  0.196791  2.40242  0.177354  
1 1 1 49 8  17 o 6.45825  0.0857296 41.7865      1.10733  41.9285      1.48257  41.6074      1.66531  6.46452  0.114669  6.43682  0.129358  
1 1 1 49 8  18 o 3.15284  0.111081  9.97503      0.700442 10.1897      0.952025 9.72165      1.03422  3.18217  0.149587  3.10591  0.166493  
1 1 1 49 8  19 o 3.82223  0.0986936 14.6531      0.754459 14.7662      1.01629  14.5142      1.12607  3.83234  0.132594  3.79695  0.148286  
1 1 1 49 8  20 o 2.88379  0.12019   8.35711      0.693206 7.29773      0.992388 9.36656      0.968723 2.68573  0.184752  3.04728  0.158949  
1 1 1 49 8  21 o 3.25583  0.122034  10.657       0.794645 10.9521      1.13932  10.3775      1.10889  3.29161  0.173064  3.2041   0.173043  
1 1 1 49 8  22 o 2.13782  0.168039  4.62052      0.718474 5.6037       1.02506  3.67106      1.00733  2.34549  0.218517  1.89003  0.266485  
1 1 1 49 8  23 o 2.45235  0.142076  6.06482      0.696841 6.00287      0.954344 6.13556      1.01988  2.43038  0.196336  2.45475  0.207737  
1 1 1 49 8  24 o 4.53556  0.0994772 20.6739      0.90237  22.2346      1.25159  18.9845      1.30221  4.69444  0.133305  4.33259  0.15028   
1 1 1 49 8  25 o 0.647989 0.287686  -0.210805    0.74818  -0.656162    1.02685  0.293195     1.09236  0.695304 0.319782  0.883926 0.369461  
1 1 1 49 8  26 o 1.5179   0.244898  2.38849      0.743462 2.32302      1.03783  2.4575       1.06555  1.44043  0.360706  1.48124  0.362203  
1 1 1 49 8  27 o 2.69301  0.154703  7.37215      0.833231 8.05615      1.18875  6.71152      1.16825  2.79505  0.212653  2.5448   0.229538  
1 1 1 49 8  28 o 0.902615 0.335713  0.739689     0.80911  0.52432      1.11567  0.978637     1.17516  0.927223 0.378932  1.04358  0.400335  
1 1 1 49 8  29 o 1.18357  0.332267  1.58293      0.818539 1.91812      1.16294  1.25385      1.15231  1.28566  0.405465  1.101    0.40192   
1 1 1 49 8  30 o 0.621678 0.285371  -0.458608    0.813401 -0.0208338   1.11316  -0.960155    1.19148  0.808617 0.355888  0.702079 0.32973   
1 1 1 49 8  31 o 0.982108 0.340369  1.06248      0.817063 0.903156     1.13312  1.23505      1.17927  0.98458  0.389326  1.07022  0.403792  
1 1 1 49 8  32 o 3.41505  0.136101  11.9537      0.929583 11.9632      1.29978  11.9437      1.32999  3.37511  0.192554  3.36823  0.197432  
1 1 1 49 8  33 o 0.865408 0.333665  0.757661     0.818972 0.834061     1.15209  0.679618     1.16441  0.938321 0.384533  0.908835 0.380757  
1 1 1 49 8  34 o 0.906434 0.343625  0.92881      0.857399 1.68243      1.18871  0.111568     1.23787  1.11873  0.408236  0.811187 0.36468   
1 1 1 49 8  35 o 0.958269 0.350355  1.21043      0.875897 1.12157      1.2656   1.29211      1.21346  0.948196 0.397089  0.979822 0.39702   
1 1 1 49 8  36 f 1.05037  0.379435  1.65981      1.02464  3.21621      1.46583  0.172653     1.43285  1.34928  0.456439  0.801678 0.37218   
1 1 1 49 8  37 o 0.900881 0.373622  1.36767      1.10368  -0.351218    1.62029  2.85553      1.50748  0.723304 0.351844  1.12853  0.448168  
1 1 1 49 8  38 o 0.88731  0.38223   1.54205      1.23075  2.82594      1.72185  0.200872     1.75985  1.0096   0.443492  0.746216 0.363755  
1 1 1 49 9  0  o 8.1779   0.103221  66.9492      1.68765  66.9492      1.68765  66.9492      1.68765  8.18008  0.0729555 ?        ?         
1 1 1 49 9  1  o 0.781411 0.268214  0.560924     0.506316 0.646798     0.733481 0.48276      0.699784 0.883195 0.320834  0.819009 0.310451  
1 1 1 49 9  2  o 10.7543  0.0836123 115.744      1.79838  113.778      2.47202  117.955      2.62111  10.6587  0.115962  10.8519  0.120767  
1 1 1 49 9  3  o 7.1717   0.0727853 51.4639      1.04399  50.289       1.48365  52.6162      1.4693   7.08709  0.104672  7.2495   0.101338  
1 1 1 49 9  4  o 8.21364  0.0745568 67.507       1.22477  67.4082      1.7538   67.601       1.71115  8.20484  0.106876  8.21684  0.104125  
1 1 1 49 9  5  o 4.47179  0.0733532 20.0097      0.656041 21.762       0.958727 18.4667      0.899652 4.66203  0.102823  4.29448  0.104745  
1 1 1 49 9  6  o 10.9369  0.0857871 119.726      1.8765   118.141      2.64179  121.34       2.6659   10.8593  0.121638  11.0054  0.121118  
1 1 1 49 9  7  o 2.59377  0.101593  6.73677      0.527016 6.20449      0.74609  7.26684      0.744539 2.4872   0.149986  2.69232  0.138271  
1 1 1 49 9  8  o 3.02636  0.0911026 9.16936      0.551418 9.64496      0.787405 8.71166      0.772455 3.10217  0.126912  2.94804  0.131011  
1 1 1 49 9  9  o 8.53544  0.0792964 72.92        1.35366  72.7425      1.91447  73.0975      1.91425  8.52109  0.112337  8.5419   0.112051  
1 1 1 49 9  10 o 0.822112 0.265581  0.66391      0.496725 0.428534     0.695    0.909694     0.710198 0.798192 0.307453  0.966267 0.31771   
1 1 1 49 9  11 o 5.80435  0.0728768 33.7199      0.846005 33.5119      1.19874  33.9263      1.19413  5.7838   0.103629  5.81956  0.102597  
1 1 1 49 9  12 o 3.97694  0.0831685 15.8355      0.661512 15.9819      0.89578  15.66        0.981065 3.99324  0.112162  3.95183  0.124128  
1 1 1 49 9  13 o 3.2633   0.093552  10.667       0.610576 10.7398      0.872436 10.5972      0.854802 3.27157  0.133336  3.24993  0.131511  
1 1 1 49 9  14 o 7.61494  0.0823567 58.0678      1.25428  59.6617      1.76433  56.4392      1.78348  7.71384  0.114361  7.50182  0.11887   
1 1 1 49 9  15 o 3.24579  0.0942288 10.5556      0.611693 9.65688      0.860966 11.4716      0.869223 3.10106  0.138818  3.38091  0.128549  
1 1 1 49 9  16 o 1.055    0.26777   1.1759       0.56618  2.05825      0.799703 0.289138     0.8017   1.3943   0.295754  0.796837 0.322775  
1 1 1 49 9  17 o 0.895484 0.289285  0.800266     0.589352 0.70783      0.800112 0.909903     0.87138  0.914652 0.334812  0.994958 0.35085   
1 1 1 49 9  18 o 4.49252  0.0916745 20.2328      0.823699 20.4718      1.13555  19.9674      1.19662  4.51411  0.125777  4.45672  0.134249  
1 1 1 49 9  19 o 2.99269  0.110717  8.99145      0.662685 8.7193       0.918909 9.28637      0.956583 2.94118  0.156214  3.0351   0.157586  
1 1 1 49 9  20 o 4.23548  0.0993528 18.0033      0.841613 18.3577      1.18857  17.6469      1.19188  4.2696   0.13919   4.18544  0.142384  
1 1 1 49 9  21 o 1.35087  0.273846  1.9379       0.714061 1.73623      0.98947  2.15707      1.03151  1.27065  0.368134  1.40847  0.363745  
1 1 1 49 9  22 o 1.02565  0.29821   1.1133       0.648156 0.944268     0.866097 1.32848      0.977185 0.996747 0.349954  1.13589  0.372675  
1 1 1 49 9  23 o 3.43891  0.110254  11.8941      0.75831  12.058       1.00856  11.6809      1.15017  3.45516  0.145949  3.39485  0.169399  
1 1 1 49 9  24 f 1.54854  0.241763  2.47087      0.74876  2.61292      0.995177 2.28555      1.13669  1.54595  0.331444  1.43148  0.387545  
1 1 1 49 9  25 o 1.08409  0.308954  1.27561      0.702543 0.999659     0.968618 1.58192      1.0205   1.02292  0.368976  1.20451  0.379813  
1 1 1 49 9  26 o 0.838065 0.319766  0.564108     0.746442 1.05176      1.04849  0.0629392    1.06292  1.04832  0.383318  0.824646 0.355225  
1 1 1 49 9  27 o 2.95488  0.14724   8.87096      0.870153 9.10523      1.23544  8.64035      1.22578  2.97067  0.20794   2.89212  0.211917  
1 1 1 49 9  28 o 1.79878  0.22899   3.36573      0.823809 2.60047      1.16259  4.13747      1.1675   1.50143  0.385275  1.96871  0.296516  
1 1 1 49 9  29 o 0.815958 0.327291  0.450066     0.812954 0.664844     1.1673   0.247777     1.13285  0.961676 0.389508  0.868438 0.370168  
1 1 1 49 9  30 o 1.83925  0.22609   3.5672       0.83167  2.8399       1.12921  4.42942      1.2295   1.55012  0.369036  2.00675  0.306341  
1 1 1 49 9  31 o 0.751794 0.317952  0.23344      0.824726 -0.687888    1.15252  1.20031      1.18066  0.711279 0.331589  1.05824  0.40263   
1 1 1 49 9  32 o 2.07851  0.203345  4.57825      0.845309 5.05341      1.18658  4.08861      1.20452  2.13215  0.278259  1.85929  0.336253  
1 1 1 49 9  33 o 0.879686 0.337145  0.823502     0.832819 0.239758     1.14794  1.47217      1.21009  0.818007 0.360616  1.07721  0.408267  
1 1 1 49 9  34 o 1.15476  0.345424  1.72175      0.859102 0.723913     1.19501  2.78908      1.23593  0.897558 0.38131   1.40644  0.412717  
1 1 1 49 9  35 o 0.560986 0.269091  -0.758761    0.867054 -2.26981     1.25361  0.627        1.20051  0.559162 0.278669  0.844287 0.370598  
1 1 1 49 9  36 o 0.948608 0.379795  1.3583       1.09182  0.96685      1.54936  1.74444      1.53883  0.892425 0.404215  1.00388  0.429771  
1 1 1 49 9  37 o 0.748464 0.335719  0.60162      1.04366  1.38481      1.48023  -0.172594    1.47172  0.875299 0.395847  0.709664 0.342825  
1 1 1 49 9  38 f 0.892359 0.383642  1.8611       1.23528  1.16927      1.67736  2.68098      1.826    0.771623 0.371132  0.898644 0.418332  
1 1 1 49 10 0  o 0.539261 0.330517  0.266901     0.668426 0.266901     0.668426 0.266901     0.668426 0.48263  0.286714  ?        ?         
1 1 1 49 10 1  f 7.28242  0.0698346 53.064       1.01713  52.5426      1.41864  53.6156      1.45908  7.24453  0.0979114 7.31798  0.0996918 
1 1 1 49 10 2  o 6.57789  0.0688543 43.293       0.905832 43.6574      1.29104  42.9397      1.27127  6.6036   0.0977524 6.54915  0.0970561 
1 1 1 49 10 3  o 10.1094  0.0868481 102.293      1.75596  102.245      2.48998  102.34       2.47667  10.1023  0.123239  10.1071  0.122521  
1 1 1 49 10 4  o 2.93533  0.0932536 8.62552      0.54746  9.27646      0.799752 8.05154      0.750998 3.04244  0.131433  2.83441  0.132479  
1 1 1 49 10 5  o 3.91131  0.077402  15.3102      0.605487 15.0851      0.867541 15.5241      0.845461 3.8808   0.111773  3.93711  0.107371  
1 1 1 49 10 6  o 12.7349  0.097484  162.387      2.48289  163.292      3.54788  161.518      3.47591  12.7618  0.139004  12.6928  0.136925  
1 1 1 49 10 7  o 4.42224  0.0732766 19.571       0.648094 18.5821      0.913375 20.5737      0.919744 4.30728  0.106027  4.53254  0.10146   
1 1 1 49 10 8  o 6.16739  0.0706093 38.0645      0.87095  36.8709      1.24382  39.2127      1.21995  6.06744  0.1025    6.25762  0.0974768 
1 1 1 49 10 9  o 2.30527  0.110436  5.3242       0.509169 5.46877      0.722505 5.18157      0.717668 2.3342   0.154765  2.27191  0.157944  
1 1 1 49 10 10 o 7.01639  0.0725714 49.2723      1.01838  50.3178      1.46009  48.282       1.42111  7.08727  0.103008  6.9425   0.102349  
1 1 1 49 10 11 o 4.23709  0.0780081 17.9723      0.661055 17.6831      0.907457 18.2992      0.964933 4.20077  0.108011  4.27291  0.112913  
1 1 1 49 10 12 o 4.70435  0.0786536 22.1569      0.740027 22.0239      1.04294  22.2917      1.05021  4.68746  0.111248  4.71585  0.111349  
1 1 1 49 10 13 o 3.62136  0.0869424 13.1343      0.6297   13.1612      0.879008 13.106       0.902517 3.62247  0.121327  3.61455  0.124845  
1 1 1 49 10 14 o 4.77872  0.0810336 22.8682      0.774474 22.509       1.0677   23.267       1.1251   4.738    0.112674  4.81664  0.116793  
1 1 1 49 10 15 o 3.29882  0.0971987 10.9063      0.641283 9.70683      0.903853 12.1221      0.91     3.10792  0.145411  3.47473  0.130945  
1 1 1 49 10 16 o 3.88147  0.0940766 15.1006      0.730312 15.0793      1.00066  15.1248      1.06828  3.87484  0.129123  3.87954  0.137682  
1 1 1 49 10 17 o 0.697341 0.278959  0.255603     0.588314 0.561112     0.827609 -0.056479    0.836466 0.878049 0.336213  0.72881  0.314545  
1 1 1 49 10 18 o 0.739162 0.285675  0.372731     0.601087 -0.0519747   0.873679 0.754434     0.828268 0.744768 0.32145   0.934675 0.340797  
1 1 1 49 10 19 o 2.7289   0.123634  7.48592      0.674772 7.40851      0.939093 7.56855      0.970211 2.70781  0.173404  2.73626  0.177288  
1 1 1 49 10 20 o 2.30524  0.158678  5.36212      0.731584 4.08477      1.02094  6.71027      1.04885  1.99762  0.25554   2.57114  0.203966  
1 1 1 49 10 21 o 0.895568 0.31093   0.759804     0.682095 0.604262     0.910818 0.95843      1.02926  0.910251 0.351686  1.03764  0.37975   
1 1 1 49 10 22 o 2.15558  0.157524  4.69374      0.679114 5.03111      0.908612 4.26674      1.02222  2.22388  0.204285  2.03926  0.250635  
1 1 1 49 10 23 o 1.51404  0.229469  2.35285      0.694849 2.77677      0.904542 1.74257      1.0853   1.61023  0.291587  1.26517  0.390247  
1 1 1 49 10 24 f 2.55675  0.151841  6.62082      0.77644  6.34202      1.05057  6.95643      1.15262  2.48754  0.211166  2.60208  0.22148   
1 1 1 49 10 25 o 1.94037  0.189317  3.84618      0.734693 3.58193      0.991559 4.16786      1.094    1.85298  0.267558  1.9968   0.273939  
1 1 1 49 10 26 o 0.651381 0.288336  -0.171788    0.74413  -0.0915806   1.03828  -0.256499    1.06703  0.786528 0.34495   0.768348 0.342174  
1 1 1 49 10 27 o 1.79989  0.215281  3.35245      0.774964 3.75105      1.06862  2.91029      1.12552  1.88061  0.284115  1.60285  0.35994   
1 1 1 49 10 28 f 2.39568  0.177762  5.88532      0.851718 6.94243      1.21009  4.84747      1.19901  2.57832  0.234666  2.13499  0.280801  
1 1 1 49 10 29 o 1.84009  0.232595  3.55287      0.85599  3.55225      1.23749  3.55344      1.1853   1.75676  0.364421  1.76755  0.347682  
1 1 1 49 10 30 o 1.58795  0.259849  2.71597      0.825251 3.83057      1.13368  1.45961      1.20362  1.86075  0.30463   1.13331  0.411058  
1 1 1 49 10 31 o 0.667233 0.298432  -0.160966    0.819529 -0.0367719   1.15399  -0.287338    1.16406  0.802034 0.356548  0.767025 0.348462  
1 1 1 49 10 32 o 0.983319 0.341151  1.12258      0.821004 2.08514      1.13772  0.0767159    1.18593  1.26942  0.401122  0.814909 0.361945  
1 1 1 49 10 33 o 1.18513  0.337381  1.76568      0.838217 0.583426     1.13741  3.17097      1.24007  0.8737   0.371615  1.53931  0.399431  
1 1 1 49 10 34 o 1.33623  0.338355  2.31772      0.9056   1.85719      1.25772  2.81352      1.30501  1.12748  0.418715  1.36924  0.42906   
1 1 1 49 10 35 o 2.2783   0.213123  5.83752      0.971119 6.07283      1.36129  5.59367      1.38578  2.19329  0.310331  2.07015  0.334704  
1 1 1 49 10 36 o 0.850936 0.358397  1.03324      1.04079  0.611425     1.53615  1.39119      1.4151   0.819591 0.382367  0.916439 0.402313  
1 1 1 49 10 37 o 1.15706  0.397738  2.43407      1.11376  0.676778     1.48484  4.69464      1.68409  0.798826 0.373885  1.44021  0.489243  
1 1 1 49 11 0  o 4.91878  0.103015  24.2426      1.01241  24.2426      1.01241  24.2426      1.01241  4.92123  0.0727698 ?        ?         
1 1 1 49 11 1  o 4.44116  0.0725908 19.7373      0.644776 19.5562      0.902461 19.9261      0.921539 4.41927  0.102105  4.46081  0.103293  
1 1 1 49 11 2  o 12.7086  0.098707  161.713      2.50886  161.153      3.45162  162.341      3.65306  12.6793  0.136112  12.7242  0.143547  
1 1 1 49 11 3  o 7.43923  0.0726526 55.381       1.08096  55.05        1.53714  55.7048      1.52041  7.41428  0.103661  7.45842  0.101926  
1 1 1 49 11 4  o 6.59406  0.0735675 43.5137      0.970216 41.9161      1.37802  45.0841      1.36625  6.46926  0.106505  6.70972  0.101811  
1 1 1 49 11 5  o 6.69514  0.0708022 44.8563      0.948061 42.9436      1.39095  46.5159      1.29564  6.54796  0.106212  6.81595  0.0950449 
1 1 1 49 11 6  o 6.05132  0.0712733 36.6452      0.862595 34.762       1.24952  38.3598      1.19228  5.89114  0.106051  6.18937  0.0963164 
1 1 1 49 11 7  o 5.02303  0.0710768 25.2498      0.714042 24.7904      1.02687  25.6799      0.99357  4.97501  0.103203  5.06387  0.0981038 
1 1 1 49 11 8  o 2.64612  0.100135  7.01288      0.52994  7.8744       0.800545 6.34088      0.707032 2.80163  0.142871  2.51419  0.140608  
1 1 1 49 11 9  o 8.27408  0.080413  68.5338      1.33069  64.6835      1.97128  71.757       1.80363  8.0325   0.122707  8.46292  0.10656   
1 1 1 49 11 10 o 3.86302  0.0775112 14.9388      0.598854 14.0455      0.849501 15.8212      0.844337 3.74344  0.113465  3.9736   0.106243  
1 1 1 49 11 11 o 5.60578  0.0745421 31.4578      0.835734 29.872       1.12359  33.4217      1.25036  5.46006  0.102891  5.77475  0.108261  
1 1 1 49 11 12 o 4.94389  0.0763658 24.4707      0.755089 23.2717      1.05512  25.7294      1.08107  4.81829  0.109491  5.06665  0.106685  
1 1 1 49 11 13 o 4.69005  0.0793093 22.0257      0.743929 21.6937      1.04788  22.3632      1.05632  4.65148  0.11264   4.7228   0.111832  
1 1 1 49 11 14 o 4.91327  0.0874115 24.1823      0.858953 24.1617      1.1199   24.2119      1.33864  4.90819  0.114085  4.91019  0.136313  
1 1 1 49 11 15 o 7.03484  0.0882073 49.586       1.24105  50.4011      1.64905  48.5214      1.88468  7.08734  0.116337  6.94971  0.135594  
1 1 1 49 11 16 o 8.01855  0.0922092 64.4499      1.47877  64.9127      2.05565  63.9536      2.12886  8.03866  0.12786   7.97745  0.13343   
1 1 1 49 11 17 o 2.76148  0.115143  7.65612      0.635929 7.90094      0.913696 7.4261       0.885639 2.79972  0.163176  2.71429  0.163144  
1 1 1 49 11 18 o 3.61833  0.0968775 13.1324      0.70107  12.3063      0.981535 13.9928      1.0017   3.49666  0.140353  3.72959  0.134291  
1 1 1 49 11 19 o 4.17946  0.100307  17.5313      0.838457 18.1759      1.21663  16.9482      1.15712  4.24754  0.143215  4.10204  0.141043  
1 1 1 49 11 20 f 2.75434  0.128573  7.63231      0.70827  8.11112      0.970945 7.08777      1.03545  2.83269  0.171382  2.64364  0.195839  
1 1 1 49 11 21 o 4.12122  0.0996578 17.0517      0.821423 16.2926      1.0795   18.0958      1.266    4.02192  0.134202  4.235    0.149468  
1 1 1 49 11 22 o 0.766501 0.294329  0.431643     0.63571  0.580794     0.859963 0.251935     0.943954 0.884556 0.341734  0.831264 0.345189  
1 1 1 49 11 23 o 2.04428  0.185658  4.25294      0.759074 4.77777      1.00063  3.54152      1.16501  2.1562   0.232035  1.80586  0.335125  
1 1 1 49 11 24 o 2.35946  0.164658  5.65437      0.777007 4.69477      1.05256  6.80353      1.15185  2.12935  0.247156  2.57122  0.223989  
1 1 1 49 11 25 o 1.925    0.193195  3.79187      0.7438   4.71108      1.01659  2.7329       1.09115  2.13262  0.238343  1.56416  0.356592  
1 1 1 49 11 26 o 2.5338   0.159562  6.5366       0.808595 6.71971      1.10799  6.32795      1.18272  2.54979  0.21727   2.46561  0.239843  
1 1 1 49 11 27 o 1.6222   0.240702  2.74757      0.780933 3.41461      1.07771  2.01009      1.13319  1.75954  0.317892  1.32331  0.396895  
1 1 1 49 11 28 o 0.711108 0.306221  0.050356     0.789408 0.729483     1.10879  -0.647708    1.12415  0.963471 0.383814  0.722124 0.333098  
1 1 1 49 11 29 o 2.01336  0.203445  4.22227      0.819215 3.39532      1.13725  5.1142       1.18108  1.7228   0.342217  2.1831   0.270507  
1 1 1 49 11 30 o 2.34919  0.18543   5.7477       0.871221 7.89598      1.26944  3.83489      1.19785  2.72249  0.23314   1.81518  0.342476  
1 1 1 49 11 31 o 2.89283  0.158146  8.65035      0.914981 8.4864       1.29397  8.8143       1.29399  2.81424  0.229896  2.87191  0.225284  
1 1 1 49 11 32 o 1.55433  0.284712  2.7923       0.852098 3.15928      1.17074  2.37891      1.24256  1.57765  0.375872  1.32821  0.419144  
1 1 1 49 11 33 o 1.228    0.337456  1.90441      0.853974 2.18463      1.15381  1.56496      1.26992  1.26109  0.404506  1.08958  0.41669   
1 1 1 49 11 34 o 2.1027   0.217087  4.92992      0.912938 3.90621      1.32985  5.84239      1.25553  1.64938  0.405457  2.20979  0.284083  
1 1 1 49 11 35 o 0.887096 0.352805  1.01663      0.935455 1.65164      1.3563   0.440482     1.29192  1.0241   0.418043  0.817676 0.369798  
1 1 1 49 11 36 o 0.86521  0.360092  1.15231      1.03081  1.04717      1.44789  1.26037      1.46789  0.851789 0.387412  0.87975  0.39622   
1 1 1 49 11 37 o 1.01504  0.391628  1.98885      1.12863  1.8964       1.51746  2.10332      1.68845  0.933861 0.412772  0.944133 0.425097  
1 1 1 49 12 0  o 0.790187 0.373166  0.925963     0.661659 0.925963     0.661659 0.925963     0.661659 0.830547 0.305573  ?        ?         
1 1 1 49 12 1  o 2.49114  0.101908  6.21475      0.507737 5.68945      0.699442 6.7999       0.738222 2.38168  0.146838  2.60402  0.141747  
1 1 1 49 12 2  o 4.66023  0.0728249 21.7339      0.678762 22.3036      0.931745 21.0897      0.990804 4.71943  0.0987136 4.5886   0.107964  
1 1 1 49 12 3  o 3.78475  0.0767425 14.3363      0.580903 14.6774      0.805841 13.9674      0.838154 3.82809  0.105254  3.73394  0.112234  
1 1 1 49 12 4  o 5.8039   0.0696658 33.7089      0.808668 34.4517      1.1803   33.0518      1.11017  5.86524  0.100618  5.74517  0.0966181 
1 1 1 49 12 5  o 0.746279 0.257285  0.50987      0.466335 1.05783      0.667137 -0.0136931   0.652114 1.01611  0.304486  0.656468 0.280365  
1 1 1 49 12 6  o 4.10199  0.0746129 16.8406      0.612123 16.2611      0.869891 17.4091      0.861515 4.02887  0.107957  4.16899  0.103324  
1 1 1 49 12 7  f 7.40889  0.0701576 54.9349      1.03958  54.0733      1.48212  55.7693      1.45854  7.34742  0.10086   7.46213  0.0977294 
1 1 1 49 12 8  o 3.63657  0.0804765 13.2391      0.585317 13.6535      0.874495 12.9028      0.787802 3.69066  0.118474  3.58837  0.109772  
1 1 1 49 12 9  o 6.81375  0.0709942 46.4691      0.967473 46.7417      1.39591  46.217       1.34211  6.83038  0.102184  6.79235  0.0987955 
1 1 1 49 12 10 o 6.65914  0.072201  44.3881      0.961594 43.9355      1.37873  44.8168      1.34182  6.62158  0.104109  6.68814  0.100313  
1 1 1 49 12 11 o 7.64397  0.0847318 58.5144      1.29537  59.6405      1.87655  57.4893      1.79036  7.71133  0.121675  7.5716   0.118228  
1 1 1 49 12 12 o 6.47574  0.0756944 41.9856      0.980355 43.2625      1.40797  40.7839      1.36585  6.56958  0.107158  6.37863  0.107065  
1 1 1 49 12 13 o 2.68602  0.107752  7.23354      0.578847 7.15374      0.818081 7.31355      0.819145 2.66764  0.153334  2.69741  0.151839  
1 1 1 49 12 14 o 7.37849  0.0911984 54.5534      1.34581  55.9206      1.9355   53.2735      1.87259  7.46264  0.12968   7.28413  0.128539  
1 1 1 49 12 15 o 2.18444  0.141882  4.79809      0.619866 4.85904      0.863516 4.7333       0.890346 2.19282  0.196897  2.16322  0.205792  
1 1 1 49 12 16 o 5.64705  0.088289  31.9621      0.997145 34.7267      1.49359  29.7391      1.33934  5.87913  0.127025  5.44136  0.12307   
1 1 1 49 12 17 o 1.80137  0.167814  3.2738       0.604592 2.77788      0.885571 3.70675      0.827431 1.64784  0.268707  1.91107  0.216484  
1 1 1 49 12 18 o 3.00448  0.115803  9.06931      0.695858 8.78175      1.03062  9.31023      0.943344 2.94755  0.174826  3.03838  0.155238  
1 1 1 49 12 19 o 2.65256  0.134978  7.08198      0.716074 7.57436      1.08076  6.69668      0.956036 2.73291  0.19773   2.57179  0.18587   
1 1 1 49 12 20 o 4.91015  0.0921683 24.1895      0.90512  23.7726      1.24091  24.6635      1.3231   4.86027  0.127659  4.94899  0.133674  
1 1 1 49 12 21 o 0.597167 0.263997  -0.171727    0.621082 0.109595     0.833992 -0.522011    0.930617 0.75926  0.320353  0.680447 0.309779  
1 1 1 49 12 22 f 2.64121  0.134116  7.03884      0.708459 7.69936      0.949153 6.20791      1.06458  2.75446  0.172294  2.46305  0.216109  
1 1 1 49 12 23 o 1.38027  0.269912  2.04195      0.718526 2.40671      0.974422 1.60725      1.06374  1.479    0.336844  1.21789  0.388169  
1 1 1 49 12 24 o 0.605264 0.272095  -0.277469    0.689064 -0.709185    0.935745 0.233951     1.01847  0.64844  0.300935  0.846007 0.355341  
1 1 1 49 12 25 o 0.583535 0.269036  -0.508395    0.732138 -1.0012      0.997501 0.0671258    1.07797  0.634046 0.298906  0.829666 0.357563  
1 1 1 49 12 26 o 0.812735 0.320811  0.46974      0.768143 -0.011753    1.01232  1.12323      1.17935  0.787759 0.343083  1.08142  0.404692  
1 1 1 49 12 27 o 3.57386  0.121807  12.9187      0.870646 12.5362      1.20017  13.3435      1.26494  3.50116  0.171396  3.61034  0.175183  
1 1 1 49 12 28 o 1.40762  0.292158  2.19577      0.794993 0.98377      1.06698  3.70831      1.19195  1.01566  0.383827  1.81265  0.341306  
1 1 1 49 12 29 o 2.77646  0.155936  7.91257      0.865899 8.06825      1.21672  7.7528       1.23256  2.76863  0.219734  2.70912  0.227484  
1 1 1 49 12 30 o 1.41102  0.299864  2.27794      0.820773 2.15792      1.17379  2.39278      1.14814  1.31691  0.405771  1.39076  0.394516  
1 1 1 49 12 31 o 0.732688 0.313398  0.19585      0.817042 1.05491      1.09604  -0.878586    1.22575  0.995998 0.38559   0.703813 0.331663  
1 1 1 49 12 32 o 1.13166  0.357545  1.6271       0.903974 2.61574      1.28246  0.650845     1.2744   1.37253  0.424389  0.913765 0.391147  
1 1 1 49 12 33 o 2.19422  0.207891  5.2342       0.912318 6.68802      1.25994  3.63177      1.32277  2.42606  0.259669  1.62562  0.40731   
1 1 1 49 12 34 o 0.960288 0.361947  1.24924      0.946715 1.21099      1.32684  1.2889       1.3512   0.958725 0.40427   0.973674 0.409143  
1 1 1 49 12 35 o 0.847682 0.345487  0.896867     0.924896 1.90068      1.40543  0.130037     1.22838  1.05248  0.426939  0.756377 0.348631  
1 1 1 49 12 36 o 0.604377 0.290929  -0.506746    1.03597  0.965714     1.46396  -1.98376     1.46622  0.826552 0.380832  0.589375 0.294688  
1 1 1 49 12 37 o 1.0305   0.405939  2.38791      1.22756  1.52633      1.65862  3.43148      1.82541  0.831786 0.390354  1.02887  0.454006  
1 1 1 49 13 0  o 4.63762  0.0985317 21.5519      0.912974 21.5519      0.912974 21.5519      0.912974 4.64001  0.0696009 ?        ?         
1 1 1 49 13 1  o 3.20146  0.0852232 10.2603      0.545677 9.74347      0.750473 10.8401      0.794846 3.11809  0.120342  3.28886  0.120839  
1 1 1 49 13 2  o 3.0137   0.0892856 9.09314      0.53816  9.45829      0.747392 8.69998      0.775534 3.07202  0.121645  2.94574  0.131637  
1 1 1 49 13 3  o 3.62627  0.0794665 13.1624      0.576335 13.3111      0.79668  12.9991      0.834774 3.64512  0.10928   3.60174  0.115885  
1 1 1 49 13 4  o 2.63922  0.096808  6.97556      0.510995 7.8078       0.706672 6.06351      0.739777 2.79076  0.126609  2.45808  0.150479  
1 1 1 49 13 5  o 9.50011  0.0826489 90.3503      1.57035  88.8411      2.25917  91.7612      2.18433  9.41466  0.119981  9.56918  0.114134  
1 1 1 49 13 6  f 4.63305  0.0720759 21.4836      0.667862 21.1078      0.967035 21.8263      0.923469 4.59007  0.10534   4.66805  0.0989139 
1 1 1 49 13 7  o 4.7941   0.072864  23.0047      0.698635 21.5571      1.00549  24.3558      0.97143  4.63819  0.108392  4.93097  0.0985028 
1 1 1 49 13 8  o 0.770071 0.259977  0.559871     0.475541 0.292734     0.668501 0.833524     0.676606 0.746291 0.297793  0.929746 0.310105  
1 1 1 49 13 9  o 4.70279  0.0745998 22.1399      0.701654 21.8289      1.02137  22.4177      0.965558 4.66678  0.10943   4.73001  0.102067  
1 1 1 49 13 10 o 2.4954   0.110605  6.24237      0.552007 6.48098      0.822022 6.0464       0.744964 2.53912  0.161872  2.45328  0.15183   
1 1 1 49 13 11 o 4.68334  0.0762599 21.9604      0.714302 21.226       1.02676  22.6491      0.994373 4.60122  0.111575  4.75371  0.104589  
1 1 1 49 13 12 o 2.47487  0.110444  6.14166      0.54667  6.54509      0.78069  5.75354      0.765743 2.55172  0.152974  2.39186  0.160073  
1 1 1 49 13 13 o 2.6602   0.106967  7.09624      0.569104 7.06547      0.808949 7.1264       0.800783 2.65064  0.152595  2.66226  0.150395  
1 1 1 49 13 14 o 5.81038  0.0869693 33.8288      1.01065  34.3138      1.36261  33.2358      1.5068   5.84727  0.116516  5.75197  0.130981  
1 1 1 49 13 15 o 2.07795  0.145459  4.34418      0.604511 4.55757      0.849361 4.12512      0.860565 2.12273  0.200063  2.01797  0.213226  
1 1 1 49 13 16 o 1.40107  0.22054   1.99247      0.617986 0.871323     0.870497 3.13166      0.877474 0.980959 0.35019   1.75273  0.250317  
1 1 1 49 13 17 o 2.97999  0.109414  8.91615      0.652106 9.24752      0.977761 8.65066      0.875178 3.02757  0.161476  2.9301   0.149343  
1 1 1 49 13 18 o 6.31296  0.0897562 39.969       1.13326  40.7425      1.59368  39.1778      1.6118   6.36494  0.125192  6.24038  0.129143  
1 1 1 49 13 19 o 2.34639  0.150198  5.55181      0.704845 3.84779      0.994404 7.27235      0.999216 1.93782  0.256578  2.67933  0.186467  
1 1 1 49 13 20 o 3.46093  0.112966  12.0391      0.781934 11.8069      1.06491  12.3108      1.15184  3.41948  0.155712  3.4896   0.16504   
1 1 1 49 13 21 o 4.69078  0.0895766 22.0866      0.840368 23.1988      1.13236  20.723       1.25383  4.80085  0.117933  4.53193  0.138333  
1 1 1 49 13 22 o 1.0948   0.309619  1.29383      0.708204 1.30974      0.934703 1.27238      1.08516  1.11683  0.364484  1.125    0.392028  
1 1 1 49 13 23 o 1.24875  0.295577  1.69905      0.727668 1.24225      0.962427 2.30866      1.11182  1.0943   0.36985   1.43419  0.381044  
1 1 1 49 13 24 o 0.769698 0.305215  0.384268     0.698218 0.243769     0.946695 0.55185      1.03392  0.822241 0.34383   0.919496 0.368984  
1 1 1 49 13 25 o 2.15345  0.177958  4.73997      0.766447 4.93873      1.05422  4.51712      1.11628  2.17825  0.241988  2.07355  0.269172  
1 1 1 49 13 26 o 0.663426 0.291813  -0.108713    0.747495 0.580316     1.0178   -0.915545    1.10138  0.913545 0.366304  0.682975 0.32008   
1 1 1 49 13 27 o 0.847905 0.323892  0.607827     0.766553 0.183694     1.05195  1.08803      1.11932  0.833512 0.356037  1.05468  0.394343  
1 1 1 49 13 28 o 1.55091  0.258266  2.55786      0.801096 2.61311      1.09346  2.49384      1.17698  1.4964   0.36754   1.44841  0.395349  
1 1 1 49 13 29 o 0.951618 0.338954  0.961921     0.815124 1.8652       1.129    -0.0216272   1.17809  1.2413   0.40033   0.818336 0.362448  
1 1 1 49 13 30 o 1.80499  0.234275  3.48975      0.845729 3.84406      1.18366  3.12022      1.20882  1.81121  0.339304  1.59427  0.383272  
1 1 1 49 13 31 o 0.870743 0.338483  0.74097      0.846396 1.13741      1.13364  0.241625     1.27229  1.01173  0.392051  0.861547 0.37975   
1 1 1 49 13 32 o 1.75818  0.250076  3.4517       0.879355 3.2451       1.208    3.68457      1.28253  1.5712   0.386557  1.67574  0.389697  
1 1 1 49 13 33 o 0.639536 0.29377   -0.247252    0.863631 -0.610581    1.20152  0.141109     1.24222  0.693765 0.32735   0.798437 0.361776  
1 1 1 49 13 34 o 0.709791 0.316946  0.171898     0.920998 0.00471136   1.28137  0.35058      1.32469  0.763665 0.353542  0.81567  0.370872  
1 1 1 49 13 35 o 0.84686  0.353648  1.00475      0.99946  0.974339     1.66974  1.02173      1.24766  0.870412 0.403197  0.860445 0.377747  
1 1 1 49 13 36 o 0.898789 0.374763  1.39177      1.11974  1.09151      1.4816   1.79169      1.70992  0.844716 0.38666   0.924056 0.420476  
1 1 1 49 13 37 o 0.741277 0.341871  0.880887     1.18345  1.35206      1.63876  0.367333     1.71087  0.781922 0.373829  0.708488 0.348651  
1 1 1 49 14 0  o 0.450062 0.297357  -0.0890424   0.664781 -0.0890424   0.664781 -0.0890424   0.664781 0.372427 0.247564  ?        ?         
1 1 1 49 14 1  o 1.95719  0.130863  3.84101      0.512247 3.68055      0.689739 4.03835      0.764934 1.91349  0.180231  2.00371  0.190879  
1 1 1 49 14 2  o 4.04339  0.0767476 16.3645      0.620641 16.945       0.868972 15.7601      0.886735 4.1127   0.105645  3.96588  0.111796  
1 1 1 49 14 3  o 4.84509  0.0711854 23.4944      0.6898   22.7645      0.971605 24.2361      0.979491 4.76714  0.101907  4.919    0.099562  
1 1 1 49 14 4  o 5.13713  0.0701477 26.412       0.720716 26.1792      0.992402 26.6717      1.0484   5.11249  0.0970566 5.15996  0.101589  
1 1 1 49 14 5  o 6.33116  0.0694353 40.1171      0.879211 41.2381      1.25464  39.0354      1.23245  6.41633  0.0977689 6.24252  0.0987139 
1 1 1 49 14 6  o 5.31172  0.0700358 28.2392      0.74402  28.8899      1.07674  27.6447      1.02928  5.37006  0.100254  5.25327  0.0979652 
1 1 1 49 14 7  o 10.9208  0.0881648 119.437      1.92566  115.209      2.63666  124.27       2.81907  10.7184  0.122997  11.1309  0.126632  
1 1 1 49 14 8  o 4.41173  0.07656   19.4858      0.675525 18.9027      0.996444 19.9817      0.91893  4.34213  0.114741  4.46546  0.102893  
1 1 1 49 14 9  o 6.59749  0.0747261 43.5762      0.986009 42.9321      1.41231  44.1887      1.37721  6.54457  0.107899  6.64025  0.103702  
1 1 1 49 14 10 o 4.08438  0.075571  16.7022      0.617322 16.6393      0.901292 16.7578      0.847261 4.07393  0.110617  4.08905  0.103601  
1 1 1 49 14 11 o 4.11277  0.0783643 16.9381      0.644588 16.3556      0.94473  17.4453      0.881701 4.03807  0.116978  4.17159  0.105679  
1 1 1 49 14 12 o 0.671742 0.260716  0.292771     0.501746 0.017579     0.731526 0.537246     0.68949  0.699639 0.297815  0.828023 0.309519  
1 1 1 49 14 13 o 1.35823  0.188551  1.86208      0.512189 2.20808      0.750223 1.56001      0.700973 1.45014  0.268764  1.2117   0.292215  
1 1 1 49 14 14 o 4.41988  0.0841227 19.5746      0.743624 19.5174      1.06548  19.629       1.03833  4.40877  0.120836  4.42186  0.117409  
1 1 1 49 14 15 o 2.17651  0.14033   4.76548      0.610857 4.10193      0.874118 5.39883      0.853997 2.01098  0.217336  2.31162  0.184719  
1 1 1 49 14 16 o 4.21792  0.0957891 17.8442      0.808061 16.5963      1.09633  19.3283      1.19566  4.06163  0.134962  4.38292  0.1364    
1 1 1 49 14 17 o 3.89374  0.100004  15.216       0.778779 15.2062      1.07329  15.2269      1.13175  3.88609  0.138094  3.88723  0.145573  
1 1 1 49 14 18 o 1.75721  0.181127  3.12407      0.636556 2.91578      0.907625 3.3257       0.893006 1.68559  0.269231  1.80375  0.247542  
1 1 1 49 14 19 o 3.60294  0.106618  13.0396      0.768275 12.3916      1.08197  13.6985      1.09109  3.50368  0.154405  3.68519  0.148037  
1 1 1 49 14 20 o 2.21286  0.156869  4.94777      0.694259 5.82428      0.955272 3.96653      1.01073  2.39309  0.19959   1.96405  0.257309  
1 1 1 49 14 21 o 2.38002  0.147237  5.72618      0.700852 6.39292      0.929769 4.84881      1.06656  2.50694  0.185439  2.16944  0.245814  
1 1 1 49 14 22 o 2.12258  0.169976  4.57728      0.721577 4.83452      0.978527 4.27067      1.0683   2.16834  0.225639  2.0279   0.263401  
1 1 1 49 14 23 o 1.79205  0.197605  3.28608      0.708236 3.83797      0.967876 2.64997      1.03911  1.9231   0.251645  1.54689  0.344784  
1 1 1 49 14 24 o 1.10675  0.315192  1.34186      0.731449 0.100373     1.01123  2.70418      1.0593   0.813253 0.348284  1.55657  0.348942  
1 1 1 49 14 25 o 1.1792   0.307781  1.54248      0.733552 2.33811      0.997206 0.604262     1.08288  1.43862  0.349536  0.937247 0.376992  
1 1 1 49 14 26 o 1.44454  0.273075  2.26687      0.760187 1.4735       1.03535  3.19484      1.11974  1.1574   0.383605  1.68792  0.343619  
1 1 1 49 14 27 o 0.594517 0.27362   -0.472819    0.753233 -1.38909     1.04356  0.523704     1.08831  0.603083 0.290719  0.912053 0.373748  
1 1 1 49 14 28 o 0.797076 0.321902  0.428151     0.794009 0.273325     1.07236  0.616042     1.18133  0.846059 0.360374  0.943328 0.388452  
1 1 1 49 14 29 o 0.597699 0.278826  -0.580915    0.816649 -1.0951      1.11305  0.0186292    1.20189  0.650327 0.310237  0.828571 0.366649  
1 1 1 49 14 30 o 1.65932  0.237766  2.96815      0.789059 2.93607      1.082    3.00459      1.1532   1.55986  0.354739  1.56375  0.373353  
1 1 1 49 14 31 o 0.746362 0.319424  0.251179     0.849586 1.76715      1.14132  -1.63274     1.27231  1.16404  0.402389  0.637105 0.310338  
1 1 1 49 14 32 o 1.15515  0.350982  1.71372      0.882346 1.6673       1.14908  1.78043      1.37737  1.11659  0.401968  1.13638  0.434143  
1 1 1 49 14 33 o 0.852761 0.342385  0.81519      0.890896 0.472707     1.21165  1.21826      1.31445  0.832004 0.368155  0.972295 0.405768  
1 1 1 49 14 34 o 1.30786  0.352199  2.39456      0.941901 1.13677      1.37388  3.51002      1.29382  0.931986 0.402687  1.50578  0.416062  
1 1 1 49 14 35 o 1.02477  0.380119  1.81085      1.03592  4.24772      1.52178  -0.293558    1.41416  1.45852  0.464219  0.706088 0.339894  
1 1 1 49 14 36 o 0.759878 0.347657  0.600593     1.19614  1.84188      1.59629  -0.988806    1.80632  0.925017 0.415046  0.693065 0.343876  
1 1 1 49 15 0  o 0.474077 0.30982   -0.0295432   0.697463 -0.0295432   0.697463 -0.0295432   0.697463 0.396981 0.259878  ?        ?         
1 1 1 49 15 1  o 0.878705 0.264661  0.788246     0.503172 0.45841      0.670772 1.21268      0.760906 0.798208 0.303543  1.0851   0.325185  
1 1 1 49 15 2  o 7.1444   0.0743466 51.0919      1.06232  51.7321      1.46791  50.3879      1.53934  7.18589  0.102138  7.09108  0.108541  
1 1 1 49 15 3  o 6.13773  0.0694311 37.7041      0.852298 37.96        1.2093   37.4515      1.2014   6.15585  0.0982236 6.11448  0.0982423 
1 1 1 49 15 4  o 7.94237  0.0754749 63.1467      1.1989   65.8404      1.70269  60.4979      1.6884   8.10605  0.105026  7.76967  0.108653  
1 1 1 49 15 5  o 3.85973  0.0731356 14.9124      0.564568 14.102       0.791722 15.7509      0.805291 3.75136  0.105525  3.96491  0.101552  
1 1 1 49 15 6  o 2.254    0.101538  5.09066      0.457736 4.99806      0.596727 5.22303      0.713478 2.23178  0.133689  2.28001  0.156464  
1 1 1 49 15 7  o 4.9981   0.0693618 25.005       0.693354 24.6766      0.969609 25.3487      0.991873 4.96284  0.0976869 5.02988  0.098598  
1 1 1 49 15 8  o 8.86986  0.0846887 78.7905      1.50235  75.9183      2.14779  81.5422      2.10224  8.69957  0.123442  9.01755  0.116564  
1 1 1 49 15 9  o 5.22272  0.0796421 27.3136      0.831897 27.1481      1.16165  27.4879      1.19189  5.20355  0.111621  5.23574  0.113823  
1 1 1 49 15 10 o 4.52236  0.0861344 20.486       0.779062 19.833       1.1096   21.1208      1.09408  4.44566  0.124796  4.58842  0.119222  
1 1 1 49 15 11 o 3.19473  0.0865026 10.2247      0.552704 10.4018      0.841792 10.0906      0.732781 3.21854  0.130772  3.17146  0.115527  
1 1 1 49 15 12 o 2.21511  0.115394  4.92389      0.51122  4.06058      0.723825 5.78316      0.722126 2.00658  0.180363  2.39773  0.150585  
1 1 1 49 15 13 o 3.36297  0.0942066 11.338       0.633629 13.1012      0.954166 9.94706      0.847466 3.61072  0.132129  3.1459   0.134694  
1 1 1 49 15 14 o 1.99915  0.141273  4.02052      0.564853 3.76483      0.839256 4.23226      0.763721 1.92671  0.217795  2.04663  0.18658   
1 1 1 49 15 15 o 2.36002  0.125107  5.59764      0.590513 6.40979      0.882506 4.93921      0.794616 2.51924  0.175153  2.21088  0.179706  
1 1 1 49 15 16 o 2.00744  0.151725  4.06253      0.609159 4.45093      0.858975 3.66957      0.864011 2.09414  0.20509   1.89823  0.227583  
1 1 1 49 15 17 o 2.54816  0.131338  6.53327      0.66934  5.19086      0.945193 7.88363      0.947991 2.26055  0.209062  2.79328  0.169692  
1 1 1 49 15 18 f 1.4848   0.214907  2.2437       0.638188 1.7163       0.910985 2.75198      0.894314 1.26064  0.349435  1.61082  0.287989  
1 1 1 49 15 19 o 1.92839  0.171653  3.76275      0.662029 3.16373      0.892027 4.49729      0.98778  1.75583  0.254018  2.0972   0.2355    
1 1 1 49 15 20 o 3.2957   0.111912  10.9285      0.737654 11.6833      1.00113  10.0319      1.09106  3.40017  0.147218  3.14433  0.173496  
1 1 1 49 15 21 o 1.9939   0.171073  4.03611      0.682205 4.99235      0.956358 3.04541      0.973436 2.20754  0.216612  1.70938  0.284733  
1 1 1 49 15 22 o 1.96942  0.182866  3.95366      0.720281 3.20153      0.970526 4.87589      1.07468  1.75068  0.277185  2.16987  0.247637  
1 1 1 49 15 23 o 2.24317  0.162633  5.11431      0.729628 4.95089      1.00812  5.29408      1.05734  2.18902  0.230268  2.26254  0.233662  
1 1 1 49 15 24 o 2.17742  0.174432  4.84146      0.759624 4.91947      1.05214  4.75652      1.09786  2.17421  0.241959  2.1324   0.257424  
1 1 1 49 15 25 o 0.938203 0.318779  0.90586      0.714984 1.14358      0.972997 0.626827     1.05415  1.05305  0.370803  0.934174 0.373531  
1 1 1 49 15 26 o 1.25678  0.300052  1.75804      0.744856 1.21933      1.01252  2.39346      1.09964  1.0755   0.378304  1.43829  0.377499  
1 1 1 49 15 27 o 0.610574 0.278328  -0.383111    0.756558 -0.0702645   1.04453  -0.728362    1.09729  0.780478 0.344041  0.699477 0.325104  
1 1 1 49 15 28 o 2.82118  0.150299  8.16327      0.84804  8.48144      1.15735  7.79437      1.24619  2.84596  0.203332  2.71137  0.229809  
1 1 1 49 15 29 f 0.617801 0.281582  -0.335588    0.773745 0.0323809    1.07319  -0.733905    1.11657  0.790754 0.34863   0.691733 0.323843  
1 1 1 49 15 30 o 0.865774 0.33134   0.741575     0.803445 1.2243       1.11097  0.212278     1.16333  1.03676  0.391701  0.834513 0.36557   
1 1 1 49 15 31 o 1.62028  0.262463  2.95495      0.850528 2.99941      1.14428  2.90007      1.27139  1.51986  0.377638  1.45391  0.416024  
1 1 1 49 15 32 o 1.87932  0.227377  3.90917      0.854626 4.55842      1.14621  3.09635      1.28249  1.96936  0.291011  1.47862  0.416166  
1 1 1 49 15 33 o 0.961729 0.36376   1.2618       0.959012 1.88026      1.37912  0.682725     1.33447  1.086    0.429487  0.870187 0.38554   
1 1 1 49 15 34 o 1.24276  0.375088  2.32629      1.00996  1.27549      1.38542  3.51806      1.47542  0.939185 0.405067  1.40068  0.457929  
1 1 1 49 15 35 o 1.39509  0.381833  3.21134      1.09604  3.61537      1.5098   2.76116      1.59367  1.27562  0.460609  1.07544  0.447672  
1 1 1 49 15 36 o 0.90837  0.385561  1.74176      1.21993  2.65443      1.55971  0.30364      1.95788  0.993354 0.429128  0.749946 0.369376  
1 1 1 49 16 0  o 0.382446 0.267436  -0.611681    0.71709  -0.611681    0.71709  -0.611681    0.71709  0.296484 0.211553  ?        ?         
1 1 1 49 16 1  o 4.39964  0.0776494 19.3787      0.683259 19.2298      0.932047 19.5517      1.00457  4.38054  0.106385  4.41637  0.113733  
1 1 1 49 16 2  o 2.74345  0.100841  7.541        0.553305 7.92283      0.796669 7.1852       0.769045 2.80941  0.141786  2.6753   0.143731  
1 1 1 49 16 3  o 3.52711  0.0802483 12.4559      0.56609  12.4121      0.814087 12.4969      0.787708 3.51856  0.115685  3.53088  0.111545  
1 1 1 49 16 4  o 3.4495   0.0793468 11.9138      0.547414 11.0772      0.749504 12.8704      0.801423 3.3241   0.112738  3.58314  0.111833  
1 1 1 49 16 5  o 4.2052   0.0735569 17.7028      0.618643 18.0932      0.898555 17.351       0.853007 4.24888  0.10574   4.1611   0.102498  
1 1 1 49 16 6  o 4.687    0.0713118 21.9908      0.668477 22.7576      0.964616 21.2824      0.927231 4.76553  0.101208  4.60854  0.100599  
1 1 1 49 16 7  o 8.49726  0.0805112 72.3015      1.36825  70.8877      1.87812  73.9006      1.99738  8.40858  0.111679  8.58447  0.116337  
1 1 1 49 16 8  o 3.65159  0.0964774 13.3611      0.704591 12.7927      1.00221  13.9166      0.990777 3.56909  0.140401  3.72337  0.133048  
1 1 1 49 16 9  o 3.99119  0.0917596 15.9604      0.732459 16.4816      1.0904   15.5318      0.98875  4.05137  0.134572  3.93393  0.125669  
1 1 1 49 16 10 o 7.21267  0.0855776 52.1158      1.23449  52.5721      1.73302  51.6458      1.75892  7.238    0.119717  7.17334  0.122601  
1 1 1 49 16 11 o 3.50439  0.102318  12.3147      0.717124 12.3255      1.04555  12.3052      0.985449 3.50053  0.149342  3.49878  0.140828  
1 1 1 49 16 12 o 3.93837  0.0989534 15.5536      0.77943  15.8194      1.1349   15.3164      1.07232  3.966    0.143079  3.90331  0.13736   
1 1 1 49 16 13 o 1.31414  0.189289  1.74542      0.497502 1.38934      0.736466 2.0443       0.674728 1.14352  0.313     1.39634  0.25071   
1 1 1 49 16 14 o 2.98405  0.0992104 8.93238      0.592099 9.58088      0.890455 8.41839      0.792744 3.08502  0.144319  2.89276  0.137022  
1 1 1 49 16 15 o 1.76363  0.150383  3.13469      0.530439 3.1232       0.770663 3.14503      0.731199 1.75256  0.219868  1.76024  0.207698  
1 1 1 49 16 16 o 1.21958  0.250131  1.57382      0.589118 1.44007      0.86253  1.69078      0.806561 1.1648   0.345644  1.25344  0.320471  
1 1 1 49 16 17 o 0.946278 0.293528  0.925065     0.612841 0.10357      0.872919 1.72352      0.860589 0.775229 0.327449  1.26377  0.335     
1 1 1 49 16 18 f 1.92018  0.176099  3.73266      0.67628  3.42776      0.932951 4.07026      0.981721 1.82772  0.255223  1.99341  0.246241  
1 1 1 49 16 19 o 2.94387  0.124428  8.72652      0.732599 8.75208      0.966311 8.69198      1.12346  2.9406   0.164305  2.92406  0.192106  
1 1 1 49 16 20 o 3.61377  0.102591  13.1288      0.741483 12.4848      1.02294  13.8418      1.07633  3.51465  0.145525  3.70076  0.14542   
1 1 1 49 16 21 o 3.13025  0.126663  9.88695      0.792974 9.12463      1.07366  10.8018      1.17621  2.9936   0.179326  3.25672  0.180582  
1 1 1 49 16 22 o 3.92559  0.105666  15.5133      0.829606 16.1369      1.12587  14.7725      1.22714  3.99331  0.14097   3.81397  0.160875  
1 1 1 49 16 23 o 4.95754  0.100953  24.7411      1.00096  23.2174      1.36295  26.525       1.47479  4.78667  0.142369  5.11543  0.144151  
1 1 1 49 16 24 o 0.989502 0.319446  1.04489      0.718739 1.25116      1.00285  0.827031     1.03062  1.08998  0.37715   0.977642 0.374947  
1 1 1 49 16 25 o 2.25439  0.166056  5.18976      0.748711 5.38191      1.01537  4.96078      1.10841  2.27683  0.222979  2.17368  0.254963  
1 1 1 49 16 26 o 0.605808 0.276425  -0.399591    0.750218 0.632308     1.02794  -1.57567     1.0974   0.921202 0.368644  0.605897 0.293271  
1 1 1 49 16 27 o 2.14036  0.187791  4.74675      0.803878 3.13589      1.10378  6.56624      1.17309  1.64964  0.345656  2.49314  0.235263  
1 1 1 49 16 28 o 2.34143  0.173023  5.6809       0.810245 5.87816      1.12426  5.46772      1.16875  2.34471  0.239744  2.24867  0.259875  
1 1 1 49 16 29 o 0.40818  0.205389  -2.11131     0.750525 -2.42481     1.03882  -1.76899     1.08552  0.50573  0.252269  0.572483 0.28045   
1 1 1 49 16 30 o 2.43106  0.181245  6.22217      0.881235 6.39729      1.20293  6.01934      1.29462  2.41058  0.249512  2.31087  0.280115  
1 1 1 49 16 31 o 0.773516 0.318572  0.467066     0.794649 0.555689     1.10007  0.370359     1.14914  0.859877 0.365592  0.83614  0.36483   
1 1 1 49 16 32 o 0.708466 0.315512  0.0949578    0.907253 -0.812299    1.19089  1.34978      1.40055  0.667266 0.318932  1.01232  0.420425  
1 1 1 49 16 33 o 1.66705  0.313358  3.56712      1.00634  3.7362       1.41075  3.39195      1.43595  1.52526  0.43882   1.42149  0.450787  
1 1 1 49 16 34 o 1.0251   0.363746  1.687        0.937936 0.487636     1.24286  3.27367      1.42952  0.778637 0.355464  1.28982  0.449905  
1 1 1 49 16 35 o 0.742615 0.340279  0.458145     1.15082  0.917539     1.51296  -0.172553    1.77274  0.825405 0.382906  0.747781 0.364619  
1 1 1 49 16 36 o 1.15577  0.412169  3.05027      1.20562  1.48537      1.7052   4.61448      1.70483  0.791418 0.379078  1.19529  0.475997  
1 1 1 49 17 0  o 4.10314  0.109067  16.8914      0.893606 16.8914      0.893606 16.8914      0.893606 4.10654  0.0769962 ?        ?         
1 1 1 49 17 1  f 4.59727  0.0735117 21.1578      0.675907 20.1003      0.913323 22.4383      1.00499  4.47869  0.101963  4.73158  0.106201  
1 1 1 49 17 2  o 4.22386  0.0756951 17.8616      0.63945  17.5486      0.912733 18.1633      0.896133 4.18411  0.109072  4.25711  0.105251  
1 1 1 49 17 3  o 6.08918  0.070732  37.1158      0.8614   37.6964      1.26682  36.6166      1.17479  6.13311  0.103277  6.04539  0.097164  
1 1 1 49 17 4  o 1.5271   0.150322  2.34291      0.459115 1.95626      0.626789 2.79052      0.674393 1.39144  0.22523   1.66349  0.202705  
1 1 1 49 17 5  o 6.3939   0.0742018 40.9292      0.948878 39.7539      1.43362  41.8455      1.26582  6.29657  0.113841  6.46235  0.0979381 
1 1 1 49 17 6  f 2.90222  0.0802471 8.4346       0.465789 7.78054      0.608353 9.36126      0.724119 2.78581  0.109188  3.05502  0.118513  
1 1 1 49 17 7  o 2.91132  0.109138  8.49847      0.63547  8.63815      0.917767 8.36983      0.880756 2.93105  0.15656   2.88556  0.152615  
1 1 1 49 17 8  o 3.4835   0.095331  12.1608      0.664172 11.1562      0.970457 13.0459      0.910927 3.33178  0.145637  3.60514  0.126337  
1 1 1 49 17 9  o 4.89778  0.0831367 24.0297      0.814371 23.8294      1.20686  24.1972      1.10346  4.87222  0.123851  4.91134  0.112338  
1 1 1 49 17 10 f 6.66667  0.0831546 44.5271      1.10873  43.722       1.55877  45.3516      1.57735  6.6      0.118089  6.72203  0.117327  
1 1 1 49 17 11 o 2.2033   0.142905  4.88267      0.629724 3.62759      0.893429 6.12179      0.887728 1.88981  0.23638   2.46299  0.180214  
1 1 1 49 17 12 o 3.08312  0.111139  9.54067      0.685307 9.1291       0.974186 9.94389      0.964233 3.00975  0.161838  3.14242  0.153422  
1 1 1 49 17 13 o 0.56377  0.254679  -0.30959     0.611048 0.832865     0.878766 -1.37909     0.850243 0.970947 0.351325  0.532065 0.257639  
1 1 1 49 17 14 o 2.96439  0.10083   8.8181       0.597799 8.64343      1.08139  8.89497      0.71738  2.92278  0.184993  2.975    0.120568  
1 1 1 49 17 15 o 1.12664  0.23874   1.34311      0.52154  1.0561       0.789624 1.56521      0.694615 1.02228  0.335005  1.20918  0.290435  
1 1 1 49 17 16 o 2.2418   0.130038  5.05663      0.583037 4.06082      0.836926 5.99559      0.812685 1.99912  0.209324  2.43617  0.166796  
1 1 1 49 17 17 o 1.9245   0.170876  3.74651      0.657701 4.3174       0.906678 3.11248      0.9555   2.05813  0.220268  1.73838  0.274825  
1 1 1 49 17 18 o 3.91611  0.105531  15.4074      0.826546 17.1827      1.11598  13.2501      1.23017  4.12931  0.135129  3.61807  0.170004  
1 1 1 49 17 19 o 3.86657  0.0993978 15.0242      0.768657 14.892       1.03391  15.1875      1.14931  3.84177  0.134562  3.876    0.14826   
1 1 1 49 17 20 o 1.32352  0.254567  1.86725      0.649807 1.32751      0.892164 2.47709      0.948339 1.11663  0.355448  1.50569  0.324194  
1 1 1 49 17 21 o 1.85102  0.193046  3.5008       0.714664 3.1465       0.96314  3.93485      1.06605  1.7352   0.27753   1.94132  0.274569  
1 1 1 49 17 22 o 0.667852 0.288551  -0.0180763   0.705394 0.0662563    0.964172 -0.1152      1.03471  0.790699 0.339403  0.782755 0.34382   
1 1 1 49 17 23 o 2.42112  0.152805  5.95787      0.739921 6.56656      0.998773 5.21743      1.10158  2.52819  0.197527  2.23714  0.246202  
1 1 1 49 17 24 o 2.54258  0.150034  6.57476      0.762947 6.21375      1.02936  7.01484      1.13652  2.45219  0.209886  2.602    0.218394  
1 1 1 49 17 25 o 0.727758 0.300943  0.237092     0.712789 0.134987     0.964305 0.360074     1.05831  0.795875 0.34045   0.872513 0.364107  
1 1 1 49 17 26 o 1.63379  0.237053  2.80526      0.774591 2.36119      1.05414  3.32646      1.14201  1.42528  0.367532  1.70998  0.346016  
1 1 1 49 17 27 o 0.954646 0.330685  0.981514     0.771148 1.24126      1.06101  0.690665     1.12274  1.06513  0.385978  0.939751 0.381439  
1 1 1 49 17 28 o 0.790056 0.313909  0.490003     0.739905 0.809855     1.03348  0.153666     1.05978  0.940858 0.371885  0.808712 0.351602  
1 1 1 49 17 29 o 0.88248  0.328314  0.805588     0.773945 0.0158733    1.04714  1.7564       1.14899  0.770989 0.341564  1.18307  0.40411   
1 1 1 49 17 30 o 2.64288  0.172193  7.35071      0.91017  6.26764      1.21366  8.74269      1.3759   2.36947  0.256105  2.81124  0.244713  
1 1 1 49 17 31 o 0.829997 0.327346  0.689744     0.799125 0.984529     1.05427  0.291664     1.22514  0.939728 0.374289  0.834423 0.369588  
1 1 1 49 17 32 o 1.46673  0.337394  2.83163      0.969735 2.82244      1.34406  2.84161      1.4005   1.32969  0.43707   1.31888  0.446152  
1 1 1 49 17 33 o 0.668082 0.307098  -0.0980434   0.945603 -0.801667    1.25837  0.814678     1.4332   0.665803 0.320532  0.884039 0.395048  
1 1 1 49 17 34 o 0.679143 0.309628  0.196478     0.936992 -0.277423    1.31804  0.680685     1.33229  0.69044  0.331329  0.797793 0.365798  
1 1 1 49 17 35 o 0.602583 0.294554  -0.830032    1.18048  0.851423     1.63036  -2.68298     1.71148  0.809907 0.381907  0.596117 0.300981  
1 1 1 49 18 0  o 2.8611   0.13803   8.25914      0.785644 8.25914      0.785644 8.25914      0.785644 2.86755  0.0971183 ?        ?         
1 1 1 49 18 1  o 2.52441  0.110131  6.38894      0.55603  5.53148      0.766257 7.34259      0.8081   2.34537  0.163355  2.70341  0.149459  
1 1 1 49 18 2  o 2.85699  0.0922786 8.17712      0.527278 7.58466      0.734453 8.80724      0.757445 2.74887  0.133592  2.96261  0.127834  
1 1 1 49 18 3  o 1.81686  0.127244  3.31247      0.462368 3.24306      0.628495 3.39435      0.682628 1.79498  0.17507   1.83561  0.18594   
1 1 1 49 18 4  o 2.20201  0.106778  4.86098      0.47025  4.78709      0.641834 4.94661      0.690946 2.18279  0.147021  2.21823  0.155743  
1 1 1 49 18 5  o 6.84851  0.0728134 46.9583      0.997326 45.7963      1.38893  48.1952      1.43297  6.75927  0.102743  6.93395  0.10333   
1 1 1 49 18 6  o 3.45365  0.0962653 11.9536      0.664933 12.2923      0.964153 11.6463      0.91824  3.49829  0.137804  3.40544  0.13482   
1 1 1 49 18 7  o 5.889    0.0766667 34.7302      0.90298  36.2451      1.31765  33.3888      1.2399   6.01157  0.109593  5.77018  0.107441  
1 1 1 49 18 8  o 2.16523  0.14167   4.71254      0.613495 3.46747      0.894497 5.81841      0.843014 1.84825  0.241985  2.40265  0.175435  
1 1 1 49 18 9  o 7.7188   0.0839804 59.6956      1.29646  59.4913      1.8877   59.8781      1.78365  7.69729  0.122621  7.72406  0.115461  
1 1 1 49 18 10 o 1.28886  0.241373  1.7415       0.599181 1.76784      0.871958 1.71794      0.82475  1.28542  0.335589  1.2678   0.324018  
1 1 1 49 18 11 o 5.67723  0.0840822 32.2994      0.954707 30.061       1.31088  34.8277      1.39319  5.47105  0.119802  5.88917  0.118284  
1 1 1 49 18 12 o 0.617558 0.266606  -0.0491353   0.601253 -0.38959     0.877316 0.25239      0.825636 0.68163  0.30669   0.793916 0.325469  
1 1 1 49 18 13 o 2.50959  0.130995  6.33478      0.657485 5.9947       0.924301 6.68311      0.935447 2.43338  0.189922  2.57059  0.181951  
1 1 1 49 18 14 o 2.88491  0.122473  8.3677       0.706646 8.60397      0.993031 8.12531      1.00579  2.91797  0.170158  2.83436  0.177428  
1 1 1 49 18 15 o 0.67697  0.260202  0.320611     0.497227 2.46849      0.913132 -0.584696    0.592825 1.51895  0.311299  0.501079 0.234833  
1 1 1 49 18 16 o 1.48929  0.2027    2.25375      0.603758 1.86345      0.943429 2.52447      0.785726 1.31053  0.352288  1.56967  0.250284  
1 1 1 49 18 17 o 2.14728  0.157783  4.65707      0.67761  5.22391      0.971888 4.12089      0.945238 2.26443  0.214599  2.00744  0.235433  
1 1 1 49 18 18 o 1.20821  0.271252  1.56862      0.639332 1.74757      0.922673 1.40336      0.886705 1.26407  0.352091  1.14497  0.352653  
1 1 1 49 18 19 o 1.06833  0.279834  1.23033      0.605022 1.40209      0.822744 1.02808      0.892803 1.13971  0.337451  1.02146  0.355624  
1 1 1 49 18 20 o 1.39887  0.252451  2.08457      0.680461 1.20911      0.958599 2.97374      0.96608  1.08391  0.369113  1.65891  0.30238   
1 1 1 49 18 21 o 0.699778 0.29025   0.177455     0.66618  0.401408     0.911553 -0.079276    0.975987 0.84714  0.343757  0.768167 0.335687  
1 1 1 49 18 22 o 0.652043 0.284323  -0.0665497   0.697016 -0.555361    0.962516 0.472434     1.01071  0.680318 0.311509  0.891587 0.361902  
1 1 1 49 18 23 o 1.14881  0.303363  1.46087      0.707419 1.79084      0.949746 1.04965      1.06023  1.25901  0.359353  1.04203  0.384946  
1 1 1 49 18 24 o 2.25269  0.170078  5.18733      0.766265 5.5959       1.02841  4.67742      1.14889  2.32219  0.221432  2.10325  0.273123  
1 1 1 49 18 25 o 1.03281  0.317898  1.17826      0.720701 -0.552204    0.964448 3.36651      1.08454  0.674117 0.309986  1.73495  0.32458   
1 1 1 49 18 26 o 1.65072  0.233831  2.87663      0.771977 3.58226      1.03357  1.98631      1.16098  1.81992  0.283961  1.29033  0.404763  
1 1 1 49 18 27 f 1.57786  0.243177  2.66596      0.767396 2.78571      1.05231  2.52994      1.12152  1.5363   0.350153  1.44236  0.382469  
1 1 1 49 18 28 o 0.726329 0.304203  0.25512      0.742878 0.780719     1.03759  -0.297679    1.06409  0.93017  0.371053  0.731586 0.332575  
1 1 1 49 18 29 o 1.98771  0.210975  4.22736      0.838712 5.04506      1.11077  3.14283      1.27923  2.13504  0.260127  1.55205  0.407069  
1 1 1 49 18 30 o 0.898078 0.335587  0.904961     0.810376 0.296751     1.0544   1.78269      1.26666  0.802672 0.349854  1.14761  0.421151  
1 1 1 49 18 31 o 0.511387 0.250618  -1.32562     0.868702 -0.95817     1.19826  -1.73269     1.26121  0.65847  0.31597   0.609714 0.299819  
1 1 1 49 18 32 o 0.826388 0.343707  0.734116     0.938172 1.02248      1.31963  0.439414     1.33404  0.918324 0.395693  0.830447 0.375665  
1 1 1 49 18 33 o 0.709752 0.320147  0.226048     0.96201  -0.331297    1.29478  0.912886     1.43734  0.706006 0.33609   0.873177 0.392733  
1 1 1 49 18 34 o 1.88219  0.290296  4.76094      1.09279  4.7934       1.45232  4.71857      1.65911  1.60186  0.440021  1.43805  0.485601  
1 1 1 49 18 35 o 0.635186 0.309263  -0.355399    1.25827  0.289923     2.08826  -0.723233    1.5766   0.743892 0.369182  0.649038 0.321866  
1 1 1 49 19 0  o 2.65958  0.157407  7.16701      0.830556 7.16701      0.830556 7.16701      0.830556 2.66846  0.110474  ?        ?         
1 1 1 49 19 1  o 5.33235  0.0734785 28.4689      0.783626 28.1452      1.10224  28.7998      1.11429  5.2987   0.10401   5.35997  0.103945  
1 1 1 49 19 2  o 6.91807  0.0712935 47.9157      0.986428 47.0488      1.34766  48.9162      1.44775  6.85161  0.0983463 6.98541  0.103627  
1 1 1 49 19 3  o 4.85388  0.0693554 23.5866      0.673286 22.7969      0.940639 24.4164      0.964136 4.7692   0.098616  4.9358   0.0976677 
1 1 1 49 19 4  o 4.87883  0.0708882 23.8315      0.691702 24.0977      0.977844 23.5649      0.978586 4.90312  0.0997164 4.84847  0.100917  
1 1 1 49 19 5  o 6.32628  0.0750159 40.0774      0.949142 39.8954      1.29809  40.2865      1.39134  6.30806  0.102891  6.33776  0.109766  
1 1 1 49 19 6  o 1.34292  0.215514  1.82497      0.578837 1.28163      0.85511  2.28451      0.786398 1.11531  0.34688   1.47421  0.276913  
1 1 1 49 19 7  o 7.06825  0.0799321 50.0464      1.12996  49.8944      1.64653  50.1816      1.55353  7.05073  0.116763  7.07248  0.10983   
1 1 1 49 19 8  o 5.13497  0.0836239 26.4197      0.858813 26.2427      1.25849  26.5741      1.17491  5.11198  0.123092  5.14567  0.114164  
1 1 1 49 19 9  o 3.98419  0.0902027 15.9115      0.71877  16.1639      1.04625  15.6859      0.989139 4.01056  0.130437  3.95158  0.125157  
1 1 1 49 19 10 o 0.786725 0.289233  0.513074     0.597655 -0.111433    0.868637 1.07448      0.823586 0.730766 0.318026  1.03732  0.342134  
1 1 1 49 19 11 o 6.1101   0.0856811 37.4207      1.04704  37.3635      1.53885  37.4701      1.42875  6.09691  0.126199  6.10781  0.116961  
1 1 1 49 19 12 o 1.75564  0.175538  3.11471      0.616362 3.57216      0.903783 2.71696      0.842749 1.87128  0.241487  1.62963  0.25857   
1 1 1 49 19 13 o 0.890343 0.293936  0.786205     0.607889 1.35332      0.881358 0.271637     0.839534 1.13575  0.351948  0.802125 0.328409  
1 1 1 49 19 14 o 1.75237  0.204853  3.11681      0.717957 3.66164      0.992692 2.51924      1.03962  1.89016  0.262595  1.52577  0.34823   
1 1 1 49 19 15 o 2.94154  0.129898  8.7092       0.764199 8.50632      1.08285  8.91051      1.07864  2.89699  0.186892  2.96608  0.18183   
1 1 1 49 19 16 o 1.86039  0.160279  3.49672      0.596362 3.30183      1.07038  3.58445      0.718153 1.75769  0.315981  1.87943  0.191056  
1 1 1 49 19 17 o 0.915234 0.293246  0.858945     0.60651  -0.451668    0.950663 1.75857      0.787627 0.698456 0.316479  1.27325  0.311442  
1 1 1 49 19 18 f 0.533139 0.245239  -0.42951     0.604176 -0.34703     0.906218 -0.495506    0.810619 0.695329 0.312336  0.627483 0.286714  
1 1 1 49 19 19 o 1.21047  0.29002   1.59198      0.693969 1.13416      1.04455  1.95373      0.928508 1.07621  0.383664  1.32918  0.345969  
1 1 1 49 19 20 o 2.07857  0.166543  4.39144      0.692344 3.79341      0.947777 5.07568      1.0138   1.91318  0.247697  2.21885  0.228451  
1 1 1 49 19 21 o 2.8254   0.12775   8.0661       0.721888 7.79779      0.973184 8.39434      1.07641  2.76502  0.175982  2.86493  0.18786   
1 1 1 49 19 22 o 0.814775 0.306205  0.564735     0.67659  0.932493     0.905481 0.099835     1.01807  0.982893 0.356529  0.812367 0.348734  
1 1 1 49 19 23 o 1.72353  0.209197  3.06918      0.721113 2.40813      0.961913 3.91738      1.0896   1.46493  0.335385  1.92143  0.283537  
1 1 1 49 19 24 o 0.880053 0.319985  0.736784     0.729748 0.664267     0.975387 0.828985     1.09982  0.918336 0.36182   0.987223 0.385415  
1 1 1 49 19 25 o 0.810504 0.315712  0.519041     0.737127 0.801161     0.989234 0.166832     1.10531  0.950857 0.366691  0.842897 0.362653  
1 1 1 49 19 26 o 1.59384  0.240365  2.7042       0.766207 2.7816       1.02688  2.60699      1.15085  1.54605  0.341243  1.4687   0.386515  
1 1 1 49 19 27 o 1.05606  0.322685  1.28914      0.744412 1.93298      1.01641  0.544216     1.0933   1.26232  0.37534   0.894601 0.371492  
1 1 1 49 19 28 o 1.08379  0.328675  1.39371      0.774242 1.76767      1.0347   0.917905     1.16711  1.19326  0.383088  0.976349 0.391934  
1 1 1 49 19 29 f 0.810052 0.323462  0.586447     0.789216 0.801923     1.03728  0.290229     1.21619  0.909289 0.367633  0.846086 0.372188  
1 1 1 49 19 30 o 1.99762  0.210418  4.33173      0.84067  4.13994      1.06833  4.6436       1.36233  1.89455  0.281949  1.90358  0.371073  
1 1 1 49 19 31 o 0.619285 0.291126  -0.511628    0.933416 -1.07896     1.28895  0.113959     1.35351  0.663008 0.32038   0.806569 0.369353  
1 1 1 49 19 32 o 0.743118 0.323719  0.385092     0.901725 -0.200092    1.25849  1.00248      1.29266  0.731267 0.342612  0.907283 0.39129   
1 1 1 49 19 33 o 1.57545  0.327574  3.49075      0.99789  1.86878      1.33962  5.51274      1.49571  0.995482 0.412165  1.82897  0.417865  
1 1 1 49 19 34 o 1.33012  0.437335  3.46343      1.3457   5.61853      2.28334  2.3165       1.66572  1.31609  0.540682  1.00157  0.438106  
1 1 1 49 20 0  o 1.28147  0.348287  1.98378      0.770252 1.98378      0.770252 1.98378      0.770252 1.35544  0.217874  ?        ?         
1 1 1 49 20 1  o 3.3821   0.0887968 11.4611      0.60064  12.2993      0.847264 10.6144      0.851619 3.50066  0.121015  3.25103  0.130977  
1 1 1 49 20 2  o 4.99219  0.0738579 24.9563      0.737426 25.3802      1.03389  24.5173      1.05211  5.0312   0.102748  4.94446  0.106392  
1 1 1 49 20 3  o 5.21385  0.0727697 27.2212      0.75882  27.9907      1.0574   26.4042      1.0896   5.28386  0.100059  5.1311   0.106176  
1 1 1 49 20 4  o 2.1024   0.10888   4.43393      0.457821 3.9646       0.599292 5.0917       0.709479 1.98521  0.15094   2.24915  0.157721  
1 1 1 49 20 5  o 6.89699  0.0773083 47.6461      1.06639  49.5004      1.57159  46.0639      1.45174  7.02375  0.111876  6.77652  0.107115  
1 1 1 49 20 6  o 3.72528  0.089604  13.9089      0.667599 15.4916      0.979316 12.5349      0.912479 3.92746  0.124675  3.53228  0.129163  
1 1 1 49 20 7  o 4.21347  0.0885535 17.7935      0.746235 17.5017      1.06792  18.0718      1.04319  4.17374  0.127933  4.24192  0.122961  
1 1 1 49 20 8  o 7.32504  0.0869246 53.777       1.27345  54.4729      1.85161  53.1525      1.7542   7.36333  0.125732  7.27491  0.120565  
1 1 1 49 20 9  o 5.24691  0.0849054 27.5916      0.890982 27.5155      1.28254  27.6625      1.23868  5.23331  0.122536  5.24816  0.118011  
1 1 1 49 20 10 o 5.28805  0.0866939 28.0315      0.916883 28.3986      1.2798   27.6445      1.31423  5.31639  0.120363  5.24429  0.125301  
1 1 1 49 20 11 o 4.19011  0.0938694 17.6106      0.786646 18.1712      1.11365  17.0523      1.11132  4.25005  0.131017  4.11637  0.134988  
1 1 1 49 20 12 o 5.52392  0.0896501 30.6021      0.99044  32.2413      1.45852  29.1994      1.34924  5.66113  0.128819  5.38835  0.1252    
1 1 1 49 20 13 f 0.732691 0.29428   0.279938     0.658472 0.644898     0.94562  -0.0636075   0.917458 0.932717 0.358761  0.758701 0.328458  
1 1 1 49 20 14 o 2.5557   0.151798  6.58959      0.775901 5.50017      1.0866   7.72297      1.1083   2.32082  0.234098  2.75761  0.200954  
1 1 1 49 20 15 o 7.36569  0.0968687 54.4571      1.42701  57.6638      2.0276   51.3098      2.00872  7.56633  0.133989  7.13464  0.140772  
1 1 1 49 20 16 o 1.27944  0.279638  1.75635      0.695842 0.747874     0.92683  3.05911      1.05342  0.950968 0.358189  1.68488  0.324178  
1 1 1 49 20 17 o 1.36606  0.208628  1.90696      0.569996 1.54424      0.914216 2.13762      0.729045 1.19386  0.356172  1.41586  0.267221  
1 1 1 49 20 18 o 1.17903  0.265409  1.49648      0.610744 2.20902      0.951322 0.996884     0.796578 1.41593  0.339764  0.993391 0.336477  
1 1 1 49 20 19 o 4.07103  0.110448  16.6912      0.899272 15.5667      1.31545  17.6778      1.23216  3.9133   0.168074  4.17804  0.147456  
1 1 1 49 20 20 o 4.09708  0.105968  16.903       0.868316 17.2367      1.17532  16.5019      1.28843  4.12557  0.142443  4.03012  0.159851  
1 1 1 49 20 21 o 0.915894 0.314879  0.842262     0.698066 0.333058     0.967693 1.39473      1.00797  0.846353 0.350357  1.1381   0.378499  
1 1 1 49 20 22 o 0.744064 0.301239  0.311611     0.697768 0.857284     0.985574 -0.23677     0.988017 0.97586  0.368863  0.738314 0.329017  
1 1 1 49 20 23 o 0.895684 0.319685  0.779244     0.725414 1.5345       1.02672  0.0264363    1.02506  1.17528  0.382004  0.798125 0.346378  
1 1 1 49 20 24 f 0.849945 0.319034  0.645963     0.734033 0.071924     1.0018   1.31139      1.0786   0.793531 0.343376  1.1051   0.390278  
1 1 1 49 20 25 o 1.67579  0.228834  2.95936      0.766955 3.99682      1.03192  1.67904      1.14636  1.93     0.267336  1.20086  0.403647  
1 1 1 49 20 26 o 2.14208  0.181687  4.77019      0.778375 4.23975      1.0496   5.41839      1.16028  1.97752  0.265383  2.23967  0.259029  
1 1 1 49 20 27 o 0.869457 0.325992  0.747151     0.765978 1.14474      1.01218  0.214309     1.17176  1.01938  0.376214  0.846887 0.368971  
1 1 1 49 20 28 o 0.655091 0.292002  -0.0966693   0.778641 -0.30805     1.00319  0.223629     1.23489  0.700386 0.319599  0.850038 0.374473  
1 1 1 49 20 29 o 1.57364  0.254756  2.77328      0.801785 2.73136      1.03172  2.83719      1.27401  1.46752  0.354896  1.43326  0.418528  
1 1 1 49 20 30 o 1.89173  0.229245  3.97735      0.867341 3.37281      1.16366  4.73301      1.30101  1.59727  0.371036  1.92793  0.350339  
1 1 1 49 20 31 o 1.09267  0.360813  1.69059      0.915972 0.908841     1.26353  2.55645      1.32977  0.898514 0.387174  1.24962  0.434111  
1 1 1 49 20 32 o 1.00711  0.371029  1.51188      0.983929 1.40247      1.42046  1.6128       1.36422  0.964712 0.412954  1.00355  0.415744  
1 1 1 49 20 33 o 0.925959 0.371468  1.47118      1.04745  1.98727      1.53701  1.02366      1.43126  0.967544 0.42205   0.838346 0.382335  
1 1 1 49 20 34 o 1.18804  0.430371  3.03236      1.31902  1.12837      2.18108  4.1302       1.65619  0.830481 0.404853  1.26975  0.478688  
1 1 1 49 21 0  o 4.7302   0.109623  22.4477      1.03582  22.4477      1.03582  22.4477      1.03582  4.73408  0.0774041 ?        ?         
1 1 1 49 21 1  o 2.61885  0.106567  6.87987      0.558167 6.89628      0.788721 6.86341      0.790016 2.61796  0.150636  2.61165  0.151248  
1 1 1 49 21 2  o 2.14785  0.118901  4.63137      0.510761 4.45301      0.701778 4.83226      0.74479  2.10217  0.166918  2.18954  0.170079  
1 1 1 49 21 3  o 4.07921  0.0778692 16.6683      0.635289 17.6047      0.897363 15.7273      0.899509 4.18911  0.107107  3.95866  0.113613  
1 1 1 49 21 4  o 2.96388  0.0818489 8.80139      0.485181 9.05262      0.661513 8.50891      0.713762 3.00361  0.11012   2.91082  0.122605  
1 1 1 49 21 5  o 2.68114  0.119352  7.21829      0.639999 6.74361      0.923107 7.65764      0.888099 2.58497  0.178553  2.75693  0.161066  
1 1 1 49 21 6  o 3.82092  0.095698  14.6393      0.731309 15.254       1.04896  14.058       1.0201   3.89518  0.134649  3.7391   0.13641   
1 1 1 49 21 7  o 1.72831  0.18149   3.01725      0.627343 3.22499      0.893021 2.81485      0.881487 1.77868  0.251035  1.65986  0.26553   
1 1 1 49 21 8  o 3.28795  0.111244  10.8531      0.731531 10.2531      1.04204  11.4361      1.02721  3.18842  0.163409  3.3692   0.152441  
1 1 1 49 21 9  o 3.01038  0.1212    9.1067       0.729716 10.2061      1.06465  8.13264      1.00213  3.17972  0.167413  2.83691  0.176623  
1 1 1 49 21 10 o 1.53475  0.211424  2.39271      0.648964 2.42479      0.921673 2.36117      0.913925 1.50401  0.316391  1.48341  0.317286  
1 1 1 49 21 11 o 3.42875  0.106807  11.8046      0.732429 12.8036      1.06605  10.9113      1.00801  3.5638   0.149566  3.28927  0.153227  
1 1 1 49 21 12 o 2.26758  0.153603  5.1855       0.696613 5.66122      1.00016  4.73727      0.970817 2.36018  0.211882  2.15679  0.225061  
1 1 1 49 21 13 o 2.455    0.139451  6.07229      0.684706 5.99207      1.02775  6.13632      0.918139 2.42691  0.211739  2.46065  0.186564  
1 1 1 49 21 14 o 4.40978  0.108871  19.5383      0.960197 19.4582      1.32398  19.6273      1.39462  4.3911   0.150757  4.40812  0.158188  
1 1 1 49 21 15 o 5.36438  0.1019    28.9077      1.09326  29.871       1.53782  27.9234      1.55451  5.44154  0.141304  5.259    0.147795  
1 1 1 49 21 16 o 0.934756 0.313414  0.876231     0.691121 0.996607     0.934148 0.730662     1.02726  1.02078  0.362931  0.968771 0.373657  
1 1 1 49 21 17 o 1.74416  0.194303  3.10274      0.677791 2.54667      0.930515 3.73124      0.989264 1.53123  0.314645  1.89781  0.260633  
1 1 1 49 21 18 o 4.77803  0.0987671 22.958       0.943825 22.2736      1.32489  23.6631      1.34488  4.69253  0.14117   4.83752  0.139005  
1 1 1 49 21 19 o 0.693786 0.287165  0.181101     0.649976 0.868286     1.01367  -0.298717    0.847026 0.99411  0.374562  0.674616 0.302523  
1 1 1 49 21 20 o 2.215    0.165574  4.99489      0.733492 4.75449      1.06573  5.21126      1.01106  2.13696  0.249356  2.24547  0.225132  
1 1 1 49 21 21 o 5.32543  0.0988161 28.5662      1.05248  28.912       1.44791  28.1789      1.53255  5.34075  0.135553  5.26723  0.14548   
1 1 1 49 21 22 f 2.1562   0.171538  4.7536       0.739742 4.56361      1.05162  4.9397       1.04077  2.08623  0.252039  2.17549  0.239203  
1 1 1 49 21 23 o 0.916738 0.318562  0.85802      0.716126 0.792728     1.0237   0.920591     1.00215  0.959993 0.372442  0.989172 0.372482  
1 1 1 49 21 24 o 1.76011  0.221569  3.24027      0.779971 3.10666      1.08652  3.38233      1.12035  1.65184  0.340521  1.72817  0.336138  
1 1 1 49 21 25 o 0.705824 0.299999  0.148632     0.740332 -0.56611     1.01207  0.971302     1.08579  0.681532 0.315014  0.99675  0.384216  
1 1 1 49 21 26 o 1.37985  0.291193  2.16672      0.778609 2.28318      1.08614  2.04361      1.11674  1.36498  0.3826    1.2871   0.395626  
1 1 1 49 21 27 f 1.05999  0.337024  1.33087      0.802249 1.10594      1.03498  1.66942      1.26979  1.00392  0.378429  1.16208  0.422137  
1 1 1 49 21 28 o 2.35145  0.180051  5.83525      0.846763 4.90143      1.1126   7.12072      1.30538  2.09044  0.266116  2.52766  0.258219  
1 1 1 49 21 29 o 1.31699  0.312123  2.1204       0.810615 2.08347      1.05282  2.17417      1.27033  1.24759  0.384271  1.24082  0.424913  
1 1 1 49 21 30 o 1.70313  0.278037  3.43442      0.947067 4.1348       1.34231  2.74018      1.33642  1.71634  0.398374  1.3266   0.435826  
1 1 1 49 21 31 o 0.897581 0.356063  1.04244      0.950574 0.558019     1.43486  1.42134      1.269    0.856128 0.38832   0.986668 0.40383   
1 1 1 49 21 32 o 0.991122 0.37675   1.63411      1.03299  0.368554     1.56602  2.6089       1.3744   0.797556 0.375559  1.15228  0.435578  
1 1 1 49 21 33 o 1.01064  0.392228  1.91637      1.13557  -1.38376     1.81036  4.05713      1.45808  0.678473 0.337674  1.41315  0.45487   
1 1 1 49 21 34 o 0.883742 0.382684  1.85815      1.24597  0.270481     1.94204  2.96886      1.62435  0.712518 0.353941  0.962961 0.426164  
1 1 1 49 22 0  o 2.59899  0.174022  6.87454      0.895257 6.87454      0.895257 6.87454      0.895257 2.61065  0.121847  ?        ?         
1 1 1 49 22 1  o 8.11866  0.080539  66.0382      1.30774  64.4336      1.85593  67.6205      1.84298  8.01139  0.11583   8.20809  0.112266  
1 1 1 49 22 2  o 1.81472  0.137157  3.31152      0.497803 3.12979      0.67696  3.52549      0.734563 1.75958  0.192364  1.86705  0.196718  
1 1 1 49 22 3  o 1.40851  0.156865  1.99849      0.441891 2.18813      0.611377 1.79105      0.639424 1.46981  0.207979  1.30467  0.254119  
1 1 1 49 22 4  o 4.15459  0.0876779 17.3009      0.728532 18.702       1.09258  16.1792      0.97758  4.31411  0.126629  4.01332  0.121792  
1 1 1 49 22 5  o 3.49806  0.0962031 12.2715      0.673048 12.6266      0.996884 11.974       0.912386 3.5425   0.140703  3.45098  0.132192  
1 1 1 49 22 6  o 0.776592 0.285074  0.502195     0.580398 1.23478      0.869819 -0.0857677   0.779244 1.09718  0.351142  0.695782 0.301984  
1 1 1 49 22 7  o 2.04895  0.156497  4.23202      0.641311 3.68492      0.957167 4.67769      0.863889 1.89962  0.251937  2.14837  0.201057  
1 1 1 49 22 8  o 0.78142  0.296462  0.460551     0.638601 1.17759      1.03364  0.0179008    0.812136 1.10288  0.382774  0.732006 0.31276   
1 1 1 49 22 9  o 1.01403  0.295502  1.08306      0.635736 0.543511     0.972856 1.48517      0.839866 0.915208 0.361108  1.17898  0.338384  
1 1 1 49 22 10 o 0.49858  0.23498   -0.682103    0.615661 -0.950772    0.930677 -0.473046    0.82096  0.619644 0.291121  0.640073 0.291279  
1 1 1 49 22 11 o 4.19318  0.0941253 17.6396      0.789369 17.4681      1.17166  17.7821      1.06818  4.16436  0.140677  4.20443  0.12703   
1 1 1 49 22 12 o 0.530325 0.246282  -0.530487    0.628057 -0.152148    0.929935 -0.847796    0.851634 0.745641 0.326741  0.595957 0.279686  
1 1 1 49 22 13 o 2.23243  0.153153  5.03052      0.683806 4.75817      0.975892 5.29323      0.958441 2.15921  0.225984  2.28049  0.210139  
1 1 1 49 22 14 o 2.92358  0.13124   8.61165      0.767379 8.24495      1.07832  8.98792      1.09229  2.84908  0.18924   2.97606  0.183512  
1 1 1 49 22 15 o 3.48813  0.11553   12.2482      0.805967 12.2484      1.09848  12.2479      1.18619  3.4783   0.157905  3.47465  0.170691  
1 1 1 49 22 16 o 1.84695  0.184621  3.47171      0.681971 2.5762       0.943525 4.45132      0.986839 1.53994  0.317202  2.07951  0.237277  
1 1 1 49 22 17 o 1.22864  0.283843  1.63712      0.683969 1.88268      0.926293 1.34272      1.01423  1.30397  0.348421  1.13146  0.379673  
1 1 1 49 22 18 o 0.679993 0.271242  0.273        0.554428 -0.527138    0.933156 0.709561     0.689278 0.674475 0.307952  0.871087 0.311549  
1 1 1 49 22 19 o 1.67418  0.194714  2.87123      0.651972 2.04459      0.970864 3.55021      0.87989  1.35094  0.354769  1.85062  0.237728  
1 1 1 49 22 20 o 5.14392  0.105514  26.6709      1.08551  26.6923      1.48191  26.6462      1.59456  5.12833  0.144483  5.11779  0.155785  
1 1 1 49 22 21 o 1.3842   0.262514  2.07251      0.700406 1.21974      0.98951  2.92878      0.991541 1.0779   0.374474  1.62854  0.315693  
1 1 1 49 22 22 o 1.48807  0.241751  2.31827      0.719486 2.16856      1.0333   2.45917      1.00242  1.37447  0.36833   1.47297  0.345813  
1 1 1 49 22 23 o 1.36109  0.275963  2.03617      0.725029 1.51545      1.03033  2.54694      1.02044  1.16054  0.382674  1.49221  0.347988  
1 1 1 49 22 24 o 2.75331  0.156543  7.77618      0.862022 7.20414      1.18557  8.4178       1.25561  2.61448  0.226732  2.82919  0.221902  
1 1 1 49 22 25 o 1.03628  0.32596   1.23168      0.752244 1.09483      1.03383  1.38565      1.09661  1.01636  0.379188  1.10062  0.393035  
1 1 1 49 22 26 o 0.968315 0.339245  1.04217      0.813537 1.43786      1.08367  0.531158     1.23148  1.10418  0.391068  0.917351 0.388276  
1 1 1 49 22 27 o 2.23865  0.184308  5.27726      0.825202 6.02686      1.08477  4.24764      1.27134  2.35934  0.229888  1.8707   0.352711  
1 1 1 49 22 28 o 1.46761  0.297059  2.55885      0.841474 2.75839      1.07987  2.25038      1.34265  1.46205  0.369038  1.26006  0.436356  
1 1 1 49 22 29 o 0.847731 0.3388    0.737675     0.866625 1.48132      1.21839  -0.0238315   1.23293  1.05365  0.406824  0.78206  0.356179  
1 1 1 49 22 30 o 1.18334  0.357997  1.95975      0.919288 1.56125      1.31589  2.33963      1.2848   1.02608  0.414395  1.20837  0.426033  
1 1 1 49 22 31 o 0.636112 0.298354  -0.349933    0.963883 -0.140733    1.48891  -0.500859    1.26465  0.774568 0.365161  0.695087 0.331377  
1 1 1 49 22 32 o 1.0091   0.378251  1.76926      1.03112  1.74908      1.49972  1.78734      1.41998  0.943714 0.414228  0.955668 0.411108  
1 1 1 49 22 33 o 0.624711 0.302181  -0.525217    1.15794  2.18104      1.96384  -1.96752     1.43367  0.933701 0.434335  0.58003  0.290015  
1 1 1 49 23 0  o 2.6483   0.159508  7.11695      0.837833 7.11695      0.837833 7.11695      0.837833 2.65813  0.111889  ?        ?         
1 1 1 49 23 1  o 4.69266  0.0787881 22.0639      0.739451 22.3164      1.09087  21.8492      1.00579  4.71408  0.115703  4.66576  0.107784  
1 1 1 49 23 2  o 5.84592  0.0750741 34.2355      0.877755 33.1128      1.22095  35.4365      1.26277  5.74405  0.10628   5.94219  0.106254  
1 1 1 49 23 3  o 3.6238   0.07765   13.1572      0.562776 12.5951      0.795841 13.7194      0.795931 3.54174  0.112352  3.69706  0.107644  
1 1 1 49 23 4  o 4.6272   0.0846975 21.4609      0.783825 22.4412      1.15788  20.6317      1.06493  4.72554  0.122513  4.53191  0.117493  
1 1 1 49 23 5  f 1.84467  0.158646  3.43144      0.585299 3.00964      0.86121  3.79348      0.797887 1.71666  0.250838  1.93382  0.206298  
1 1 1 49 23 6  o 1.44795  0.200343  2.1257       0.580174 2.95014      0.841857 1.37995      0.800673 1.69949  0.247679  1.14012  0.331428  
1 1 1 49 23 7  o 5.68709  0.0809695 32.4196      0.920962 31.4622      1.31013  33.3549      1.29487  5.59522  0.117076  5.76218  0.11236   
1 1 1 49 23 8  o 3.8527   0.0982996 14.8949      0.757437 15.2545      1.1635   14.6303      0.997838 3.88998  0.149551  3.81315  0.130842  
1 1 1 49 23 9  o 1.62928  0.192168  2.6896       0.626192 2.95645      0.933483 2.47127      0.844349 1.6964   0.275137  1.52643  0.287124  
1 1 1 49 23 10 o 3.40982  0.103419  11.6733      0.705277 11.6017      1.05305  11.7315      0.949756 3.39081  0.15528   3.41275  0.139148  
1 1 1 49 23 11 o 2.5014   0.132073  6.3001       0.660733 7.34803      1.01032  5.51697      0.873396 2.69206  0.187648  2.33273  0.187205  
1 1 1 49 23 12 o 1.18696  0.285435  1.51117      0.670295 1.04764      0.979547 1.91935      0.919208 1.05079  0.371842  1.32917  0.343425  
1 1 1 49 23 13 o 3.26622  0.116771  10.7325      0.762798 10.9904      1.08871  10.4839      1.06908  3.29529  0.165191  3.21824  0.166097  
1 1 1 49 23 14 o 1.51126  0.234504  2.34664      0.708792 2.92243      0.981311 1.71858      1.02487  1.64726  0.309257  1.2557   0.377618  
1 1 1 49 23 15 o 3.39256  0.112349  11.5846      0.7623   11.0046      1.04611  12.2412      1.11312  3.29589  0.158699  3.47574  0.160127  
1 1 1 49 23 16 o 1.16674  0.289066  1.48004      0.671927 1.4815       0.920765 1.47837      0.982758 1.16758  0.35931   1.17059  0.373102  
1 1 1 49 23 17 o 3.48772  0.121358  12.2705      0.846527 12.5598      1.14782  11.9254      1.25349  3.51626  0.163216  3.41936  0.183293  
1 1 1 49 23 18 o 2.41354  0.156469  5.91525      0.755289 4.73077      1.04548  7.2083       1.09234  2.13459  0.24489   2.64916  0.206168  
1 1 1 49 23 19 o 0.573069 0.255661  -0.198147    0.598036 -0.193077    0.94173  -0.201574    0.774177 0.730456 0.323723  0.658128 0.292358  
1 1 1 49 23 20 o 1.48895  0.228603  2.30399      0.680755 1.81559      0.993958 2.7355       0.934277 1.26602  0.369673  1.57681  0.307216  
1 1 1 49 23 21 o 0.666654 0.287641  0.00682933   0.699134 -0.591053    1.06331  0.462139     0.927912 0.711396 0.326439  0.858885 0.347524  
1 1 1 49 23 22 o 2.30165  0.163474  5.42165      0.752521 6.19473      1.06     4.63612      1.0685   2.43907  0.217297  2.0944   0.255085  
1 1 1 49 23 23 o 2.16124  0.176578  4.81373      0.763256 4.54512      1.08537  5.07651      1.07354  2.06342  0.263002  2.18982  0.245121  
1 1 1 49 23 24 o 1.45997  0.267867  2.36348      0.75296  2.05113      1.0489   2.69558      1.08155  1.30451  0.379379  1.50515  0.362967  
1 1 1 49 23 25 o 0.901824 0.3321    0.830846     0.788218 2.53782      1.07199  -1.17823     1.16298  1.44715  0.369138  0.658079 0.314693  
1 1 1 49 23 26 o 0.786225 0.317007  0.476454     0.768296 0.0788248    1.05188  0.931167     1.12486  0.783587 0.345352  0.971553 0.386725  
1 1 1 49 23 27 o 1.27388  0.325627  1.98413      0.83286  2.30966      1.09294  1.53331      1.28619  1.32754  0.387645  1.09956  0.419687  
1 1 1 49 23 28 o 0.892969 0.342636  0.880187     0.860988 2.07311      1.2183   -0.310089    1.21695  1.22005  0.416119  0.748693 0.345818  
1 1 1 49 23 29 o 0.783747 0.334345  0.472539     0.925551 0.131099     1.39006  0.744471     1.24052  0.819493 0.374868  0.886462 0.382826  
1 1 1 49 23 30 o 0.634375 0.295827  -0.29853     0.918205 -0.904417    1.35251  0.219445     1.25055  0.682394 0.329446  0.785169 0.357895  
1 1 1 49 23 31 o 0.714411 0.323238  0.286784     0.98815  1.5706       1.49415  -0.711246    1.31739  0.950199 0.415288  0.664481 0.321574  
1 1 1 49 23 32 o 1.52869  0.36769   3.68121      1.1121   3.37127      1.62028  3.95726      1.52916  1.17411  0.465149  1.3404   0.465533  
1 1 1 49 23 33 f 0.689098 0.324929  0.33872      1.17999  0.971599     1.76529  -0.172462    1.58651  0.770973 0.372961  0.680983 0.335317  
1 1 1 49 24 0  o 1.24548  0.345272  1.89161      0.743002 1.89161      0.743002 1.89161      0.743002 1.32092  0.216394  ?        ?         
1 1 1 49 24 1  o 2.9723   0.0973777 8.86308      0.578872 8.54395      0.819331 9.18116      0.817969 2.91312  0.140628  3.02054  0.135401  
1 1 1 49 24 2  o 5.66286  0.0708816 32.1233      0.802785 30.7077      1.09771  33.751       1.17706  5.53202  0.0992142 5.79922  0.101484  
1 1 1 49 24 3  o 2.97165  0.0832021 8.85203      0.494494 9.09673      0.712653 8.62482      0.68671  3.00866  0.118433  2.92973  0.117197  
1 1 1 49 24 4  o 8.33361  0.0860791 69.6329      1.4347   69.8436      2.08014  69.4417      1.9814   8.33397  0.124799  8.31199  0.119189  
1 1 1 49 24 5  o 1.73237  0.171407  3.03292      0.593878 3.1874       0.865871 2.89569      0.816079 1.76618  0.245126  1.68383  0.242329  
1 1 1 49 24 6  o 2.30064  0.136091  5.32816      0.626192 4.55033      0.900449 6.05663      0.871404 2.11587  0.212784  2.44701  0.178055  
1 1 1 49 24 7  o 3.0715   0.113488  9.47759      0.697155 9.80043      1.02179  9.19641      0.953587 3.11546  0.163987  3.01898  0.157932  
1 1 1 49 24 8  o 4.62636  0.0931748 21.4712      0.86212  20.1461      1.31004  22.4836      1.14501  4.47075  0.146512  4.72891  0.121065  
1 1 1 49 24 9  o 3.35541  0.106483  11.3079      0.714592 11.9053      1.09231  10.8609      0.944827 3.43369  0.159058  3.28251  0.143918  
1 1 1 49 24 10 o 3.46296  0.10829   12.0479      0.750008 12.9195      1.18124  11.4593      0.970799 3.57497  0.16521   3.37125  0.143982  
1 1 1 49 24 11 f 4.50529  0.0951575 20.3717      0.857425 21.7168      1.30206  19.3419      1.13933  4.64155  0.140262  4.38287  0.129975  
1 1 1 49 24 12 o 2.7421   0.138282  7.58446      0.758363 8.11068      1.10398  7.11428      1.04354  2.82348  0.1955    2.64394  0.197346  
1 1 1 49 24 13 o 4.67395  0.0988647 21.9527      0.924178 20.7209      1.31977  23.1379      1.29457  4.52814  0.145729  4.78845  0.135176  
1 1 1 49 24 14 o 0.801471 0.29891   0.534036     0.642309 -0.505007    0.897922 1.62285      0.919176 0.66536  0.303279  1.21933  0.355319  
1 1 1 49 24 15 o 2.80318  0.140995  7.94654      0.790472 7.7796       1.0368   8.1783       1.22158  2.76157  0.18772   2.82231  0.216415  
1 1 1 49 24 16 o 1.07261  0.307767  1.2476       0.694856 1.17896      0.921814 1.33793      1.05744  1.06847  0.361962  1.13397  0.387676  
1 1 1 49 24 17 o 3.73672  0.115367  14.079       0.86219  15.0805      1.18629  12.9577      1.25527  3.85467  0.153877  3.56498  0.176056  
1 1 1 49 24 18 o 0.884867 0.316141  0.745342     0.709576 0.621192     0.968494 0.889214     1.04258  0.914776 0.3605    1.00123  0.379108  
1 1 1 49 24 19 o 3.53707  0.128649  12.6656      0.910082 13.5532      1.18128  11.3694      1.4275   3.646    0.161997  3.3151   0.215302  
1 1 1 49 24 20 o 1.4947   0.221498  2.3179       0.662145 2.41029      1.01505  2.24947      0.873611 1.45836  0.351602  1.42208  0.315485  
1 1 1 49 24 21 o 0.840231 0.310829  0.646033     0.691744 -0.379475    1.03279  1.48039      0.931573 0.72765  0.329778  1.1477   0.362998  
1 1 1 49 24 22 o 1.80318  0.200483  3.37095      0.723014 2.45743      1.03089  4.25533      1.01431  1.45882  0.355979  2.00497  0.252949  
1 1 1 49 24 23 o 1.01329  0.331125  1.14758      0.771438 1.56775      1.05401  0.662833     1.13213  1.15957  0.387047  0.937898 0.382243  
1 1 1 49 24 24 o 0.828596 0.322358  0.597482     0.767992 0.390954     1.01535  0.873624     1.17407  0.843935 0.354649  0.983049 0.393733  
1 1 1 49 24 25 o 0.581759 0.271012  -0.52662     0.768114 -0.179655    1.03519  -0.951661    1.14576  0.738841 0.332748  0.673062 0.318389  
1 1 1 49 24 26 o 1.26151  0.315028  1.90422      0.793279 2.63693      1.09343  1.09001      1.15264  1.44303  0.375364  1.00027  0.393571  
1 1 1 49 24 27 o 1.04892  0.358238  1.38286      0.902942 1.41379      1.31069  1.35492      1.2457   1.06305  0.419238  1.04696  0.409883  
1 1 1 49 24 28 o 1.96096  0.233721  4.28749      0.916635 4.10027      1.32804  4.45783      1.26677  1.74593  0.390228  1.86997  0.351638  
1 1 1 49 24 29 o 0.903585 0.350261  1.04074      0.904998 -0.882289    1.27901  2.9689       1.28071  0.67269  0.323677  1.38046  0.423546  
1 1 1 49 24 30 o 0.967955 0.360412  1.33366      0.933059 3.21951      1.40434  -0.156785    1.24846  1.37017  0.446763  0.729831 0.341814  
1 1 1 49 24 31 o 0.597709 0.288572  -0.631065    1.03794  1.05863      1.48129  -2.26085     1.4548   0.853358 0.389122  0.578886 0.289974  
1 1 1 49 24 32 o 0.553017 0.272343  -1.08295     1.04716  -2.10067     1.53555  -0.198204    1.43172  0.595339 0.298085  0.702794 0.339211  
1 1 1 49 25 0  o 2.28178  0.176486  5.32781      0.794325 5.32781      0.794325 5.32781      0.794325 2.29524  0.123166  ?        ?         
1 1 1 49 25 1  o 7.20914  0.0774722 52.084       1.11702  49.9508      1.57869  54.2227      1.58071  7.05159  0.111939  7.34821  0.107557  
1 1 1 49 25 2  o 0.893393 0.250515  0.839648     0.465565 0.586494     0.621749 1.16276      0.702424 0.818753 0.295589  1.05121  0.311914  
1 1 1 49 25 3  o 1.90644  0.115332  3.65187      0.439747 3.80427      0.531277 3.32028      0.783658 1.9439   0.136653  1.80685  0.216857  
1 1 1 49 25 4  o 3.86234  0.0905663 14.9615      0.699596 15.5326      0.990103 14.3921      0.988654 3.92988  0.125971  3.78203  0.130704  
1 1 1 49 25 5  o 2.30927  0.135318  5.36762      0.624971 5.01723      0.911739 5.67818      0.85836  2.2231   0.205061  2.36889  0.181173  
1 1 1 49 25 6  o 3.64956  0.0969332 13.3654      0.707528 13.2059      1.01881  13.5141      0.983325 3.62071  0.140692  3.66392  0.13419   
1 1 1 49 25 7  o 1.69849  0.181371  2.92116      0.616111 3.49122      0.899603 2.41758      0.845533 1.84758  0.243454  1.5073   0.29086   
1 1 1 49 25 8  f 3.88034  0.0961264 15.1121      0.746006 14.0432      1.10175  16.0171      1.01376  3.73134  0.147634  3.9894   0.127057  
1 1 1 49 25 9  o 1.2348   0.261667  1.62323      0.626502 2.56873      0.937816 0.861192     0.841935 1.54677  0.314087  0.965857 0.344437  
1 1 1 49 25 10 o 3.33092  0.111868  11.1531      0.745247 11.7597      1.11063  10.6563      1.00513  3.4102   0.162839  3.24801  0.15473   
1 1 1 49 25 11 o 7.41881  0.0996887 55.2988      1.47914  56.5181      2.11121  54.1234      2.07296  7.48266  0.141074  7.32219  0.141553  
1 1 1 49 25 12 o 0.719603 0.296776  0.201006     0.690571 -0.028761    0.991186 0.417743     0.962668 0.7884   0.341359  0.873432 0.353741  
1 1 1 49 25 13 o 3.7881   0.103301  14.4298      0.782632 14.4372      1.08029  14.4216      1.13539  3.77945  0.142916  3.77527  0.150371  
1 1 1 49 25 14 o 2.56007  0.141706  6.62881      0.725556 6.08327      1.01456  7.19987      1.03802  2.43644  0.208205  2.65443  0.195527  
1 1 1 49 25 15 o 2.41272  0.147813  5.89622      0.713262 7.43672      0.984849 4.19686      1.03438  2.70068  0.182334  2.00974  0.257343  
1 1 1 49 25 16 o 3.60483  0.116105  13.1036      0.837081 13.4862      1.1377   12.6519      1.23602  3.64461  0.15608   3.5231   0.175417  
1 1 1 49 25 17 o 5.12058  0.101317  26.4002      1.0376   28.9674      1.48949  23.98        1.44624  5.34752  0.139269  4.86105  0.148758  
1 1 1 49 25 18 o 0.942735 0.320244  0.914182     0.721569 0.572778     0.983955 1.3114       1.06134  0.903623 0.361062  1.11438  0.387762  
1 1 1 49 25 19 o 2.14299  0.187168  4.71476      0.802201 4.53993      1.06256  4.94649      1.22332  2.07967  0.255463  2.15908  0.283297  
1 1 1 49 25 20 o 0.637337 0.27088   0.0695929    0.603546 0.93563      0.98992  -0.442805    0.76144  0.993554 0.370975  0.6051   0.277067  
1 1 1 49 25 21 o 2.22419  0.161277  5.06063      0.717419 5.21492      1.05967  4.93007      0.974805 2.22856  0.237747  2.17252  0.224349  
1 1 1 49 25 22 o 1.46882  0.278561  2.39093      0.788655 1.9877       1.09652  2.82306      1.13513  1.29166  0.391031  1.54669  0.371139  
1 1 1 49 25 23 o 3.33081  0.135267  11.3363      0.901101 11.3221      1.16476  11.3576      1.42213  3.30436  0.176246  3.27969  0.216808  
1 1 1 49 25 24 o 1.17068  0.316438  1.60161      0.758579 1.40707      1.00388  1.86055      1.15818  1.09526  0.377501  1.22679  0.405723  
1 1 1 49 25 25 o 0.814597 0.324142  0.567385     0.79001  0.454007     1.1033   0.68668      1.13173  0.863675 0.366633  0.916902 0.379185  
1 1 1 49 25 26 o 1.04423  0.350433  1.34771      0.864028 -0.0320475   1.20468  2.80938      1.23992  0.790498 0.357322  1.44106  0.410367  
1 1 1 49 25 27 o 0.797284 0.325065  0.547454     0.819088 -0.00411921  1.16621  1.08443      1.15068  0.776774 0.351321  0.973763 0.389884  
1 1 1 49 25 28 o 0.895808 0.344361  0.975251     0.870961 2.23895      1.23349  -0.281259    1.22997  1.21498  0.418482  0.733454 0.342168  
1 1 1 49 25 29 o 1.17394  0.35231   1.93784      0.892713 3.42956      1.27867  0.519319     1.2469   1.49773  0.413523  0.827241 0.369105  
1 1 1 49 25 30 o 1.66677  0.340729  3.91836      1.0966   2.80902      1.49751  5.20108      1.61028  1.1755   0.451636  1.70287  0.461377  
1 1 1 49 25 31 o 0.82654  0.357557  1.03813      1.08566  -0.0986897   1.55902  2.10846      1.51274  0.726348 0.351221  0.977352 0.422421  
1 1 1 49 25 32 f 0.60144  0.29181   -0.470032    1.10202  -0.552284    1.73215  -0.4141      1.42838  0.679972 0.337246  0.656197 0.321517  
1 1 1 49 26 0  o 0.464621 0.308139  -0.105977    0.722807 -0.105977    0.722807 -0.105977    0.722807 0.384679 0.256324  ?        ?         
1 1 1 49 26 1  o 3.979    0.08175   15.871       0.650567 15.8315      0.926702 15.9094      0.913522 3.96896  0.116744  3.97904  0.114792  
1 1 1 49 26 2  o 2.695    0.0954488 7.2873       0.514468 6.69511      0.695596 8.00244      0.764398 2.57882  0.134867  2.81928  0.135566  
1 1 1 49 26 3  o 1.22803  0.249257  1.59571      0.59087  0.285345     0.865711 2.73848      0.808457 0.814748 0.333518  1.63622  0.24705   
1 1 1 49 26 4  o 8.00161  0.0941478 64.2415      1.50667  62.0472      2.1785   66.2535      2.08601  7.84821  0.138789  8.11408  0.128543  
1 1 1 49 26 5  o 3.57354  0.1004    12.8205      0.71757  12.5649      1.04025  13.0525      0.991123 3.52976  0.147355  3.59952  0.137674  
1 1 1 49 26 6  o 2.15895  0.148055  4.70158      0.639287 4.32988      0.94883  5.01059      0.865133 2.05923  0.230385  2.22176  0.194695  
1 1 1 49 26 7  o 5.78221  0.083979  33.5283      0.971169 32.183       1.34321  35.002       1.40581  5.65696  0.118722  5.89939  0.119148  
1 1 1 49 26 8  o 0.513036 0.240349  -0.598421    0.618912 -0.350735    0.915518 -0.806885    0.839908 0.702186 0.31471   0.595596 0.279199  
1 1 1 49 26 9  o 1.33734  0.255574  1.89703      0.659135 2.42292      0.998999 1.4916       0.877157 1.4904   0.34218   1.17781  0.348351  
1 1 1 49 26 10 o 2.67196  0.135455  7.20452      0.723862 7.53229      1.06716  6.9252       0.985143 2.71878  0.196257  2.60872  0.188817  
1 1 1 49 26 11 o 5.98177  0.0992811 35.96        1.18775  36.9615      1.78062  35.1572      1.59426  6.04656  0.147242  5.90221  0.135057  
1 1 1 49 26 12 o 6.12978  0.0952757 37.7559      1.16804  40.3556      1.73899  35.6191      1.57663  6.32072  0.137562  5.94028  0.132707  
1 1 1 49 26 13 o 2.20199  0.15592   4.9161       0.686666 5.58738      0.953313 4.19229      0.989906 2.33603  0.204046  2.0129   0.245891  
1 1 1 49 26 14 o 1.05498  0.305185  1.20375      0.680519 2.41366      0.932286 -0.176166    0.995634 1.48247  0.323393  0.758996 0.33506   
1 1 1 49 26 15 o 3.32265  0.116448  11.1329      0.773834 10.9276      1.06702  11.3607      1.12393  3.27857  0.162726  3.34105  0.1682    
1 1 1 49 26 16 o 0.922864 0.319083  0.849615     0.717703 2.09561      0.968392 -0.668788    1.06902  1.36673  0.352168  0.706665 0.325533  
1 1 1 49 26 17 o 0.793398 0.309886  0.465281     0.711166 0.544806     0.963831 0.370246     1.05364  0.891645 0.356902  0.878431 0.364729  
1 1 1 49 26 18 o 0.918552 0.325745  0.83015      0.752094 0.936801     1.00258  0.692893     1.13737  1.00024  0.373366  0.969899 0.387921  
1 1 1 49 26 19 o 2.94118  0.136607  8.77839      0.803575 8.158        1.10996  9.46171      1.16489  2.81319  0.197277  3.032    0.192099  
1 1 1 49 26 20 o 0.97061  0.325884  1.00153      0.747212 0.47644      1.02665  1.59297      1.08958  0.885048 0.362899  1.18686  0.393525  
1 1 1 49 26 21 o 1.25228  0.30375   1.77276      0.754043 0.363202     1.00925  3.5537       1.13445  0.849316 0.35507   1.77002  0.332698  
1 1 1 49 26 22 o 1.82937  0.2174    3.52841      0.795408 2.59635      1.0682   4.68834      1.19165  1.47643  0.363661  2.06862  0.28803   
1 1 1 49 26 23 f 0.952687 0.331742  0.993483     0.776951 1.43722      1.04585  0.446993     1.16064  1.10872  0.385005  0.890582 0.376944  
1 1 1 49 26 24 o 1.44352  0.2863    2.37979      0.797176 1.79295      1.11913  2.98425      1.13581  1.19845  0.398824  1.5597   0.369348  
1 1 1 49 26 25 o 1.25919  0.331104  1.93538      0.844965 2.51246      1.20955  1.38531      1.18089  1.37451  0.409604  1.06842  0.403788  
1 1 1 49 26 26 o 1.54467  0.291656  2.81858      0.868125 3.21006      1.26364  2.46866      1.19469  1.54222  0.404623  1.34128  0.408581  
1 1 1 49 26 27 o 1.20424  0.334693  1.87005      0.834641 1.96603      1.19582  1.77887      1.16549  1.16876  0.411122  1.1232   0.40478   
1 1 1 49 26 28 o 1.54327  0.292511  2.96099      0.870094 3.00518      1.2771   2.9227       1.18866  1.38869  0.422321  1.39781  0.40301   
1 1 1 49 26 29 o 0.591465 0.282421  -0.624606    0.927936 -0.401883    1.30995  -0.848933    1.31466  0.715244 0.339332  0.672784 0.324806  
1 1 1 49 26 30 o 0.750471 0.337588  0.528044     1.06239  1.35553      1.49815  -0.308991    1.50677  0.891303 0.400916  0.715721 0.345945  
1 1 1 49 26 31 o 0.539231 0.265666  -1.21001     1.03076  -0.76694     1.51776  -1.5893      1.40427  0.673022 0.33029   0.599651 0.2983    
1 1 1 49 27 0  o 0.969298 0.402369  1.35181      0.772917 1.35181      0.772917 1.35181      0.772917 1.04758  0.301153  ?        ?         
1 1 1 49 27 1  o 7.30982  0.0843699 53.5839      1.23346  54.9828      1.79689  52.3374      1.6962   7.39346  0.121519  7.21475  0.117551  
1 1 1 49 27 2  o 0.764691 0.262267  0.554248     0.484029 0.490084     0.654581 0.631659     0.718984 0.794983 0.300575  0.861498 0.317186  
1 1 1 49 27 3  o 1.65328  0.192628  2.77368      0.636936 3.11612      0.94418  2.48771      0.862834 1.73986  0.271337  1.5281   0.292764  
1 1 1 49 27 4  o 6.62144  0.0954097 44.0029      1.2635   42.3618      1.86949  45.3829      1.7143   6.48154  0.144216  6.71471  0.127652  
1 1 1 49 27 5  o 0.902266 0.292851  0.822032     0.603456 0.775845     0.877698 0.863439     0.831042 0.948665 0.350287  0.96384  0.342353  
1 1 1 49 27 6  o 6.21598  0.0840085 38.7513      1.04439  38.9106      1.45016  38.5798      1.50536  6.22017  0.116569  6.19214  0.121554  
1 1 1 49 27 7  o 1.27624  0.25608   1.73162      0.63061  2.79801      0.901906 0.711643     0.88206  1.64524  0.274095  0.928975 0.349524  
1 1 1 49 27 8  o 5.53618  0.0901596 30.7718      0.99828  28.7375      1.4155   32.7848      1.40809  5.33789  0.13259   5.70464  0.123416  
1 1 1 49 27 9  o 0.701818 0.290136  0.179771     0.66223  1.32944      0.996625 -0.729144    0.886148 1.13095  0.376363  0.626263 0.291492  
1 1 1 49 27 10 o 1.65876  0.201377  2.80862      0.668072 2.28662      1.00531  3.22146      0.89404  1.43986  0.351649  1.76606  0.253117  
1 1 1 49 27 11 o 4.02748  0.0997113 16.3089      0.803171 16.1842      1.15693  16.4249      1.11589  4.00003  0.144615  4.03161  0.138393  
1 1 1 49 27 12 o 4.35454  0.0963869 19.0634      0.839441 19.5907      1.16398  18.492       1.21176  4.40397  0.132151  4.2755   0.141709  
1 1 1 49 27 13 o 3.63851  0.107625  13.3301      0.783189 12.8037      1.07091  13.9353      1.14833  3.55424  0.150652  3.70657  0.154905  
1 1 1 49 27 14 o 1.97323  0.171278  3.96481      0.675941 3.73074      0.924421 4.23375      0.990885 1.89633  0.243739  2.01966  0.24531   
1 1 1 49 27 15 o 4.18433  0.101373  17.6284      0.848355 17.7591      1.17624  17.4866      1.22474  4.18668  0.140474  4.15168  0.147499  
1 1 1 49 27 16 o 2.04242  0.177563  4.26785      0.725317 3.79212      0.967693 4.87778      1.0957   1.90294  0.254263  2.15838  0.253824  
1 1 1 49 27 17 o 1.41573  0.267609  2.1715       0.730111 1.5911       0.971825 2.92357      1.10625  1.19194  0.369612  1.60895  0.353387  
1 1 1 49 27 18 o 3.14894  0.131661  10.049       0.829183 9.82021      1.14262  10.3035      1.20516  3.09306  0.184707  3.16572  0.190346  
1 1 1 49 27 19 o 1.96209  0.190427  3.97206      0.747266 2.73609      1.027    5.36264      1.08934  1.55227  0.340114  2.25906  0.241105  
1 1 1 49 27 20 o 1.60926  0.23662   2.7273       0.761566 1.5966       1.06641  3.90412      1.08794  1.18121  0.389318  1.90363  0.285754  
1 1 1 49 27 21 o 1.70534  0.225034  3.07202      0.76752  3.15852      1.02673  2.96245      1.15552  1.66459  0.319814  1.57756  0.371873  
1 1 1 49 27 22 o 0.860146 0.326141  0.700256     0.772493 0.780349     1.05359  0.607144     1.136    0.939449 0.37417   0.918717 0.379916  
1 1 1 49 27 23 o 0.984555 0.334711  1.09804      0.788237 1.76341      1.13299  0.473892     1.09734  1.19526  0.401286  0.875109 0.368264  
1 1 1 49 27 24 o 1.28804  0.324724  1.99607      0.836853 1.72715      1.12624  2.32759      1.25046  1.16613  0.400047  1.32451  0.420731  
1 1 1 49 27 25 o 0.631168 0.290231  -0.336691    0.845392 -0.787634    1.2216   0.0777646    1.17113  0.697167 0.329304  0.795937 0.356355  
1 1 1 49 27 26 o 1.53876  0.287934  2.80181      0.853306 2.71681      1.23514  2.87941      1.18024  1.39457  0.413577  1.45787  0.394993  
1 1 1 49 27 27 o 1.75527  0.25738   3.58205      0.903544 3.93442      1.27047  3.22143      1.28527  1.68304  0.385524  1.46877  0.417658  
1 1 1 49 27 28 o 1.52629  0.313683  3.00827      0.924686 3.45769      1.29133  2.5353       1.32472  1.4984   0.416262  1.23255  0.432796  
1 1 1 49 27 29 o 1.48544  0.362856  3.30869      1.07024  1.91768      1.48068  4.83046      1.54871  1.00183  0.424977  1.63324  0.456563  
1 1 1 49 27 30 o 0.899926 0.364429  1.37843      1.02156  2.60287      1.55639  0.451656     1.35405  1.0513   0.440311  0.757945 0.355159  
1 1 1 49 27 31 o 0.677601 0.315748  0.295154     1.04355  -0.227168    1.5805   0.698847     1.38948  0.687615 0.337323  0.751015 0.353676  
1 1 1 49 28 0  o 4.45084  0.123227  19.9162      1.09503  19.9162      1.09503  19.9162      1.09503  4.45677  0.0869427 ?        ?         
1 1 1 49 28 1  o 5.72378  0.0794814 32.846       0.909868 32.7358      1.25808  32.9669      1.31747  5.70725  0.110218  5.72608  0.115041  
1 1 1 49 28 2  f 1.9437   0.130658  3.8047       0.507919 3.83674      0.707334 3.77059      0.729804 1.94535  0.181801  1.9274   0.189324  
1 1 1 49 28 3  o 0.96546  0.292447  0.976459     0.613205 0.924083     0.890669 1.02366      0.845497 0.994448 0.354302  1.01695  0.346655  
1 1 1 49 28 4  f 3.26948  0.105866  10.7428      0.692253 11.2129      1.00865  10.3241      0.951807 3.33159  0.151377  3.19735  0.148843  
1 1 1 49 28 5  o 2.5854   0.126794  6.73482      0.655626 7.44064      0.930999 6.04041      0.923436 2.70907  0.17183   2.4373   0.189438  
1 1 1 49 28 6  o 2.01493  0.159841  4.11151      0.644136 2.61598      0.920056 5.54924      0.902102 1.55797  0.306185  2.33429  0.193229  
1 1 1 49 28 7  o 4.70552  0.0927728 22.2377      0.873089 20.5369      1.26798  23.7711      1.20398  4.50951  0.140589  4.85692  0.123944  
1 1 1 49 28 8  o 3.79961  0.107264  14.5215      0.815123 13.1638      1.18952  15.7235      1.11921  3.60329  0.16506   3.94513  0.141847  
1 1 1 49 28 9  o 2.54053  0.13879   6.52061      0.705199 6.21816      1.05978  6.76095      0.944717 2.46331  0.215112  2.57712  0.183289  
1 1 1 49 28 10 o 2.57045  0.141716  6.68248      0.728546 6.33272      1.07282  6.98183      0.992503 2.48368  0.215974  2.61561  0.189727  
1 1 1 49 28 11 o 0.84502  0.293336  0.690162     0.607066 0.817778     0.826321 0.540516     0.894805 0.939335 0.340602  0.87844  0.346409  
1 1 1 49 28 12 o 2.82905  0.12375   8.07734      0.700189 8.20306      0.94811  7.92651      1.03848  2.84026  0.166905  2.78628  0.186356  
1 1 1 49 28 13 o 1.04139  0.293562  1.17729      0.637658 0.876255     0.855464 1.55366      0.95655  0.960697 0.346733  1.18836  0.366332  
1 1 1 49 28 14 o 3.75384  0.108631  14.2028      0.815569 13.7348      1.10898  14.754       1.20361  3.67811  0.150754  3.80932  0.157982  
1 1 1 49 28 15 o 1.284    0.271278  1.79626      0.675091 1.79141      0.924217 1.80181      0.988465 1.2611   0.352751  1.26303  0.368601  
1 1 1 49 28 16 o 3.121    0.12408   9.85396      0.774507 10.252       1.05425  9.38717      1.1416   3.16891  0.166342  3.02338  0.188795  
1 1 1 49 28 17 o 2.37057  0.163562  5.73546      0.775471 6.76719      1.06472  4.56981      1.13171  2.55901  0.208033  2.07913  0.27216   
1 1 1 49 28 18 o 2.41481  0.159099  5.9603       0.768385 4.89951      1.06482  7.11283      1.1099   2.157    0.246829  2.61622  0.21212   
1 1 1 49 28 19 o 3.48245  0.122173  12.294       0.850924 12.0715      1.17169  12.5423      1.2378   3.42864  0.170869  3.49137  0.177266  
1 1 1 49 28 20 o 0.70068  0.3014    0.0808666    0.763154 -0.000164529 1.05236  0.170747     1.10834  0.787794 0.346382  0.835423 0.361333  
1 1 1 49 28 21 o 2.45758  0.178614  6.2732       0.877919 6.05079      1.29417  6.4628       1.19489  2.35499  0.274773  2.45611  0.243249  
1 1 1 49 28 22 o 3.07977  0.144348  9.74088      0.889116 8.56792      1.24709  10.9534      1.26797  2.83946  0.2196    3.2297   0.196298  
1 1 1 49 28 23 o 1.7195   0.232255  3.1938       0.798725 2.26607      1.10752  4.19924      1.15298  1.33517  0.390335  1.92554  0.299391  
1 1 1 49 28 24 f 0.973368 0.346748  1.11827      0.853072 0.608488     1.23891  1.57788      1.17637  0.904477 0.386367  1.10901  0.405972  
1 1 1 49 28 25 o 0.63824  0.290881  -0.233492    0.825435 -0.441245    1.17018  -0.0277432   1.16452  0.719773 0.334996  0.774458 0.350628  
1 1 1 49 28 26 o 1.97957  0.236176  4.41519      0.935053 3.80545      1.30224  5.06415      1.34345  1.65286  0.398089  2.0099   0.334209  
1 1 1 49 28 27 o 2.45663  0.199756  6.68658      0.981453 5.51737      1.38151  7.87795      1.39455  2.05809  0.335629  2.5636   0.271991  
1 1 1 49 28 28 o 0.537397 0.262548  -1.14358     0.934546 -1.36124     1.25645  -0.874042    1.39818  0.614792 0.301329  0.68681  0.332191  
1 1 1 49 28 29 o 1.38946  0.38461   3.16008      1.10439  0.541241     1.57812  5.67365      1.54607  0.797714 0.376034  1.80414  0.433281  
1 1 1 49 28 30 f 0.951673 0.370905  1.59382      1.01768  -0.757046    1.43499  3.97255      1.44347  0.659362 0.322879  1.39074  0.452945  
1 1 1 49 29 0  o 0.430283 0.297788  -0.503622    0.818924 -0.503622    0.818924 -0.503622    0.818924 0.340518 0.238746  ?        ?         
1 1 1 49 29 1  o 5.64464  0.0784269 31.9591      0.885382 31.1888      1.20517  32.8624      1.30502  5.56868  0.10821   5.71427  0.114189  
1 1 1 49 29 2  o 1.06023  0.22829   1.19591      0.470232 1.10677      0.659917 1.28786      0.670221 1.01997  0.302265  1.09277  0.298361  
1 1 1 49 29 3  o 3.45885  0.10437   12.0287      0.722    12.1867      1.055    11.8895      0.9902   3.47111  0.151969  3.43042  0.144326  
1 1 1 49 29 4  o 3.25706  0.110518  10.6735      0.719928 9.32515      1.02619  11.9803      1.01026  3.03206  0.169224  3.44277  0.146722  
1 1 1 49 29 5  o 3.48912  0.102993  12.2393      0.718706 13.6935      1.05741  10.9907      0.979827 3.68132  0.143618  3.29687  0.1486    
1 1 1 49 29 6  o 3.69378  0.106264  13.723       0.785029 13.4204      1.16427  13.9753      1.06302  3.63954  0.159947  3.71888  0.142922  
1 1 1 49 29 7  o 8.27986  0.104831  68.9589      1.73597  66.819       2.79859  70.2972      2.21322  8.10981  0.172544  8.34509  0.132606  
1 1 1 49 29 8  o 5.83421  0.0936464 34.2056      1.09271  32.901       1.65911  35.2051      1.45213  5.702    0.145485  5.90828  0.12289   
1 1 1 49 29 9  o 4.06166  0.0994923 16.5913      0.808207 15.0719      1.17898  17.9383      1.11008  3.85626  0.152866  4.21425  0.131706  
1 1 1 49 29 10 o 0.850831 0.286497  0.722271     0.577509 0.734661     0.774496 0.706757     0.866701 0.900768 0.32944   0.915678 0.345966  
1 1 1 49 29 11 o 4.374    0.0945292 19.2365      0.826941 19.7498      1.13818  18.6626      1.20349  4.42153  0.128709  4.29409  0.140134  
1 1 1 49 29 12 o 1.83042  0.162194  3.40693      0.593765 3.13028      0.76539  3.82505      0.940961 1.74232  0.219647  1.91887  0.245187  
1 1 1 49 29 13 o 1.55596  0.198267  2.48591      0.616993 2.04826      0.810173 3.09021      0.952007 1.36437  0.304682  1.71338  0.277816  
1 1 1 49 29 14 f 3.62896  0.105648  13.2787      0.766784 12.9123      1.04847  13.6999      1.12429  3.56495  0.147053  3.6696   0.15319   
1 1 1 49 29 15 o 3.07487  0.121528  9.56042      0.747363 8.92204      1.00012  10.3677      1.12467  2.95512  0.169218  3.1825   0.176696  
1 1 1 49 29 16 o 2.34062  0.159534  5.58593      0.746818 5.81658      0.9986   5.29322      1.12498  2.37155  0.210537  2.24703  0.250325  
1 1 1 49 29 17 o 0.895721 0.324473  0.777261     0.749753 0.259319     1.01747  1.39265      1.10906  0.836294 0.353396  1.13147  0.396128  
1 1 1 49 29 18 o 1.80536  0.214353  3.39449      0.773969 3.12109      1.06068  3.70584      1.1319   1.66414  0.330428  1.84829  0.306204  
1 1 1 49 29 19 o 1.80728  0.219177  3.43166      0.792229 2.57899      1.12108  4.28223      1.11969  1.47167  0.378743  1.98816  0.281589  
1 1 1 49 29 20 o 0.576059 0.270303  -0.66599     0.794234 -0.773856    1.19642  -0.581002    1.06199  0.71743  0.335758  0.696041 0.322091  
1 1 1 49 29 21 o 1.39019  0.297996  2.21311      0.804593 1.48073      1.16919  2.87194      1.10893  1.12543  0.405438  1.54445  0.36445   
1 1 1 49 29 22 o 1.6572   0.237297  2.96633      0.786496 2.5073       1.08715  3.47039      1.13923  1.41964  0.376616  1.70371  0.346378  
1 1 1 49 29 23 o 0.703879 0.307542  0.086934     0.818906 0.881419     1.23552  -0.535558    1.09363  0.962349 0.396937  0.694663 0.323519  
1 1 1 49 29 24 o 2.41706  0.184425  6.21287      0.89153  6.52864      1.28522  5.91999      1.23775  2.40044  0.267705  2.28233  0.27116   
1 1 1 49 29 25 o 0.750146 0.319781  0.34628      0.845603 -0.514159    1.17124  1.28307      1.2221   0.702849 0.329517  1.01024  0.402791  
1 1 1 49 29 26 o 2.14605  0.21818   5.16423      0.936451 5.8737       1.3039   4.40847      1.34577  2.18984  0.297717  1.77041  0.390556  
1 1 1 49 29 27 o 1.01832  0.358034  1.48273      0.906829 1.59188      1.25504  1.36349      1.31173  1.01837  0.407416  0.971356 0.40536   
1 1 1 49 29 28 o 0.727994 0.331592  0.321393     1.06924  -0.279205    1.51407  0.918916     1.51019  0.729776 0.351394  0.851764 0.390089  
1 1 1 49 29 29 o 0.800505 0.346389  0.89318      1.01944  2.71023      1.54908  -0.494962    1.35396  1.07567  0.444161  0.667833 0.323844  
1 1 1 49 29 30 o 0.52063  0.257967  -1.15259     1.00739  0.0470247    1.47966  -2.18904     1.37536  0.691778 0.336421  0.538764 0.271728  
1 1 1 49 30 0  o 2.18151  0.197095  4.91989      0.843789 4.91989      0.843789 4.91989      0.843789 2.20029  0.136796  ?        ?         
1 1 1 49 30 1  o 3.92374  0.0858891 15.4537      0.674013 15.0717      0.930467 15.8754      0.977681 3.86796  0.120279  3.96904  0.123164  
1 1 1 49 30 2  o 2.44545  0.100731  6.0115       0.492665 5.6537       0.684953 6.39502      0.709143 2.36499  0.144811  2.51598  0.140928  
1 1 1 49 30 3  o 0.901581 0.298966  0.820378     0.628871 0.496577     0.928494 1.09481      0.854786 0.880847 0.351122  1.03606  0.348554  
1 1 1 49 30 4  o 4.31928  0.0937011 18.7438      0.809442 18.7052      1.16195  18.7801      1.12825  4.30396  0.134986  4.31385  0.13077   
1 1 1 49 30 5  o 1.97564  0.170455  3.96563      0.673514 4.45085      1.02967  3.60278      0.890416 2.07467  0.248154  1.869    0.238207  
1 1 1 49 30 6  o 1.80766  0.185714  3.33171      0.671413 2.79158      1.00044  3.77435      0.905657 1.59854  0.324226  1.91238  0.236788  
1 1 1 49 30 7  o 2.42828  0.145439  5.96865      0.706335 6.53885      1.0579   5.50998      0.948803 2.52521  0.209467  2.31938  0.204538  
1 1 1 49 30 8  o 2.98179  0.120122  8.96661      0.716359 10.104       1.06845  8.03782      0.965522 3.15211  0.169482  2.81077  0.171754  
1 1 1 49 30 9  o 1.80272  0.171911  3.30793      0.619815 3.9531       0.875237 2.65888      0.877871 1.95871  0.223422  1.56898  0.290678  
1 1 1 49 30 10 o 2.06516  0.193117  4.36439      0.797636 2.94944      1.13633  5.73874      1.11991  1.62464  0.359289  2.3538   0.237894  
1 1 1 49 30 11 o 1.40655  0.280993  2.14406      0.762497 1.6067       1.06441  2.7105       1.09282  1.2087   0.3886    1.55454  0.358556  
1 1 1 49 30 12 o 1.73191  0.223514  3.10439      0.774209 4.50419      1.12252  1.83437      1.06922  2.06977  0.271171  1.27545  0.386133  
1 1 1 49 30 13 o 2.0042   0.200392  4.13719      0.803249 4.1414       1.1263   4.13283      1.14589  1.97623  0.284962  1.97196  0.290545  
1 1 1 49 30 14 o 1.86246  0.215798  3.59125      0.803831 3.47099      1.13813  3.71093      1.13545  1.7668   0.334254  1.86179  0.304936  
1 1 1 49 30 15 o 3.5797   0.107566  12.9287      0.770105 13.3139      1.00605  12.3835      1.1968   3.62193  0.138883  3.47949  0.17198   
1 1 1 49 30 16 o 1.33095  0.270311  1.94152      0.694497 2.05972      0.929964 1.79247      1.04428  1.34254  0.344625  1.24735  0.382406  
1 1 1 49 30 17 o 4.43532  0.1118    19.8923      0.99174  22.083       1.33939  17.2335      1.47554  4.6562   0.143828  4.09202  0.180295  
1 1 1 49 30 18 o 3.42593  0.142945  11.9866      0.97944  13.5722      1.41965  10.5463      1.35303  3.6125   0.196491  3.17366  0.213165  
1 1 1 49 30 19 o 1.23844  0.310213  1.76663      0.767446 1.55027      1.13291  1.95011      1.04328  1.15084  0.400607  1.27193  0.380692  
1 1 1 49 30 20 o 1.15039  0.322876  1.54633      0.773014 1.24222      1.12446  1.81882      1.06442  1.06177  0.395593  1.22203  0.388173  
1 1 1 49 30 21 o 1.60213  0.25345   2.79367      0.812119 1.18504      1.19492  4.17459      1.10712  1.04383  0.402917  1.93697  0.285787  
1 1 1 49 30 22 o 0.491259 0.24062   -1.33662     0.798228 -1.72724     1.1908   -1.01788     1.07568  0.605871 0.296086  0.633726 0.302952  
1 1 1 49 30 23 o 0.652083 0.294513  -0.146631    0.816726 -0.415652    1.155    0.122417     1.15505  0.721898 0.334761  0.798823 0.35587   
1 1 1 49 30 24 o 2.4982   0.182757  6.64784      0.913129 5.7322       1.26442  7.64589      1.3201   2.22494  0.284147  2.60647  0.253234  
1 1 1 49 30 25 o 1.13779  0.356809  1.76786      0.902271 1.21393      1.25654  2.35749      1.2964   0.973106 0.400655  1.23287  0.428598  
1 1 1 49 30 26 o 0.558531 0.26856   -0.792246    0.876697 -0.292375    1.23486  -1.30026     1.24487  0.717842 0.336869  0.622404 0.303856  
1 1 1 49 30 27 o 0.617794 0.293861  -0.4868      0.988088 -2.44285     1.40423  1.43149      1.39061  0.574978 0.287489  0.953611 0.40841   
1 1 1 49 30 28 o 0.612814 0.293483  -0.418562    1.02106  0.130735     1.52159  -0.868545    1.37718  0.749264 0.358694  0.646113 0.316372  
1 1 1 49 30 29 o 0.659087 0.304384  0.135636     0.942351 0.699741     1.45887  -0.26826     1.23444  0.786365 0.368507  0.663111 0.318804  
1 1 1 49 31 0  o 2.06344  0.206676  4.43379      0.8333   4.43379      0.8333   4.43379      0.8333   2.08522  0.142826  ?        ?         
1 1 1 49 31 1  o 1.7859   0.151014  3.23075      0.539393 2.33842      0.735992 4.26616      0.792807 1.50371  0.244725  2.04365  0.193969  
1 1 1 49 31 2  o 1.08774  0.240956  1.26772      0.510298 2.45229      0.660472 -0.486731    0.803795 1.54591  0.213619  0.623916 0.28526   
1 1 1 49 31 3  o 2.26022  0.155301  5.17925      0.702026 5.38321      1.04004  5.00855      0.951492 2.28638  0.227442  2.20867  0.215399  
1 1 1 49 31 4  o 2.29353  0.152038  5.33063      0.697408 6.90618      1.07407  4.18216      0.917014 2.59593  0.206876  2.01499  0.227548  
1 1 1 49 31 5  o 4.29758  0.0992077 18.5756      0.852707 18.1046      1.29927  18.932       1.13016  4.22578  0.153731  4.32953  0.130517  
1 1 1 49 31 6  o 2.65564  0.131386  7.12477      0.697832 7.21948      1.01734  7.04061      0.959005 2.6581   0.191366  2.62751  0.182493  
1 1 1 49 31 7  o 2.11116  0.153305  4.5206       0.647301 4.06523      0.94558  4.92218      0.887976 1.98209  0.238531  2.19129  0.202615  
1 1 1 49 31 8  o 3.05063  0.125869  9.3982       0.767961 10.6172      1.14826  8.41163      1.03299  3.22639  0.177948  2.87116  0.17989   
1 1 1 49 31 9  o 1.35277  0.293833  1.99919      0.772713 1.49346      1.07096  2.54836      1.116    1.17586  0.390146  1.50177  0.372818  
1 1 1 49 31 10 o 2.10707  0.183779  4.54138      0.77447  4.85136      1.08807  4.22307      1.10261  2.15653  0.252273  2.00422  0.275071  
1 1 1 49 31 11 o 0.853791 0.323583  0.615083     0.760138 1.05023      1.06401  0.161492     1.08633  1.04449  0.385677  0.846811 0.361766  
1 1 1 49 31 12 o 4.92476  0.117485  24.5044      1.15717  23.9088      1.6465   25.0857      1.62664  4.83747  0.170182  4.95886  0.164014  
1 1 1 49 31 13 o 0.59346  0.275355  -0.583796    0.782848 -1.44491     1.09264  0.324513     1.12218  0.620518 0.298719  0.887526 0.372898  
1 1 1 49 31 14 o 0.709376 0.310445  -0.0656429   0.83724  0.53834      1.15286  -0.739676    1.21788  0.938268 0.384612  0.747609 0.345559  
1 1 1 49 31 15 o 3.25881  0.14763   10.8222      0.962195 10.9088      1.29366  10.715       1.43949  3.24719  0.199197  3.20368  0.224661  
1 1 1 49 31 16 o 1.93912  0.208611  3.90728      0.809043 3.81843      1.17152  3.98829      1.11863  1.84504  0.329335  1.92519  0.290525  
1 1 1 49 31 17 f 0.774512 0.315176  0.371346     0.768529 0.12879      1.21027  0.53524      0.99485  0.860261 0.37489   0.880637 0.358516  
1 1 1 49 31 18 o 1.25193  0.310755  1.80426      0.775436 0.077118     1.12541  3.36536      1.06995  0.819575 0.359291  1.71343  0.324025  
1 1 1 49 31 19 o 1.71892  0.232787  3.15357      0.800285 3.21976      1.1522   3.09188      1.1124   1.64311  0.360447  1.61359  0.354335  
1 1 1 49 31 20 o 0.780209 0.316541  0.434336     0.772736 0.674538     1.17782  0.252812     1.0239   0.932777 0.386355  0.811754 0.349144  
1 1 1 49 31 21 o 0.809693 0.324258  0.550305     0.796142 0.0297315    1.18387  0.980112     1.07572  0.807268 0.359938  0.969199 0.380572  
1 1 1 49 31 22 o 1.30849  0.319754  2.08876      0.830838 2.56173      1.16638  1.60159      1.18377  1.38347  0.399327  1.11052  0.407177  
1 1 1 49 31 23 o 1.33951  0.320299  2.21178      0.847748 1.33002      1.16111  3.21845      1.24063  1.03184  0.397407  1.54638  0.398695  
1 1 1 49 31 24 o 1.32085  0.33217   2.25027      0.877306 2.5144       1.21828  1.96576      1.2644   1.30644  0.415311  1.15205  0.42097   
1 1 1 49 31 25 o 1.75498  0.259903  3.63688      0.912248 4.6186       1.29311  2.66419      1.28714  1.84081  0.36419   1.28705  0.427715  
1 1 1 49 31 26 o 0.927911 0.359522  1.19138      0.953258 0.862864     1.36434  1.50471      1.33244  0.883664 0.390885  0.991547 0.41083   
1 1 1 49 31 27 o 1.44111  0.360393  3.16117      1.03708  1.25525      1.54024  4.74188      1.4027   0.884635 0.40161   1.67698  0.418985  
1 1 1 49 31 28 o 0.714504 0.321151  0.428174     0.959531 -0.889349    1.35729  1.74448      1.35667  0.640038 0.313557  0.944946 0.404004  
1 1 1 49 31 29 o 0.817655 0.351694  1.29467      1.03898  1.05455      1.51813  1.50622      1.42497  0.762662 0.363468  0.813936 0.375288  
1 1 1 49 32 0  o 3.84375  0.121731  14.8834      0.933678 14.8834      0.933678 14.8834      0.933678 3.85084  0.0858191 ?        ?         
1 1 1 49 32 1  o 4.11635  0.0796281 17.0081      0.655554 17.1241      0.920336 16.8887      0.934003 4.12289  0.111613  4.09378  0.114076  
1 1 1 49 32 2  o 2.21095  0.152764  4.95634      0.675508 4.32667      1.01996  5.44833      0.901583 2.04234  0.249704  2.30799  0.195318  
1 1 1 49 32 3  o 3.187    0.111045  10.2323      0.7078   10.8551      1.05228  9.71771      0.956516 3.26923  0.160937  3.09508  0.154522  
1 1 1 49 32 4  o 2.82359  0.124632  8.04806      0.703821 8.23249      1.04626  7.89561      0.951223 2.83986  0.184209  2.78514  0.170768  
1 1 1 49 32 5  o 2.0691   0.161739  4.35039      0.669309 4.93584      0.974779 3.82817      0.920631 2.18805  0.22275   1.92248  0.239439  
1 1 1 49 32 6  f 0.886925 0.300071  0.790482     0.633527 0.563167     0.898871 1.01486      0.893042 0.882628 0.347469  1.00956  0.355266  
1 1 1 49 32 7  o 2.97354  0.11834   8.92253      0.703779 8.25431      0.916179 9.88445      1.09923  2.84903  0.160788  3.11236  0.176591  
1 1 1 49 32 8  o 2.37955  0.172357  5.77573      0.820263 5.21934      1.18394  6.28933      1.13751  2.2322   0.265196  2.46392  0.230833  
1 1 1 49 32 9  o 0.587641 0.272013  -0.553632    0.758188 0.345222     1.05214  -1.5246      1.09353  0.873991 0.363776  0.614118 0.296421  
1 1 1 49 32 10 o 1.2172   0.318166  1.65087      0.783161 2.09881      1.08927  1.17152      1.1268   1.35368  0.384356  1.08536  0.397325  
1 1 1 49 32 11 o 3.1304   0.140351  9.94518      0.87871  9.1424       1.22817  10.7871      1.25773  2.97615  0.206335  3.23856  0.19418   
1 1 1 49 32 12 o 0.705225 0.308051  -0.0569387   0.821187 0.0604172    1.15406  -0.177299    1.16874  0.847519 0.367667  0.8123   0.360234  
1 1 1 49 32 13 o 0.962166 0.342857  0.925821     0.834087 1.05657      1.12973  0.769152     1.23666  1.051    0.395537  1.00556  0.403534  
1 1 1 49 32 14 o 1.64513  0.263516  2.87115      0.867035 3.28749      1.20626  2.42613      1.24711  1.68996  0.367166  1.42972  0.412993  
1 1 1 49 32 15 o 2.27595  0.195259  5.3602       0.8888   3.80658      1.25174  6.93995      1.26223  1.82597  0.355444  2.56436  0.24611   
1 1 1 49 32 16 o 2.91534  0.147955  8.69304      0.86268  7.96411      1.19362  9.4902       1.24823  2.75583  0.216564  3.01431  0.207051  
1 1 1 49 32 17 o 1.6788   0.244598  3.01353      0.821264 2.75169      1.14657  3.28942      1.17692  1.51015  0.379716  1.6666   0.363175  
1 1 1 49 32 18 o 0.702398 0.301495  0.115603     0.760805 0.814006     1.18517  -0.373928    0.99224  0.970911 0.392794  0.698702 0.318566  
1 1 1 49 32 19 o 0.780359 0.318602  0.414608     0.78793  -0.412223    1.17333  1.09373      1.06337  0.75014  0.34367   1.01039  0.382784  
1 1 1 49 32 20 o 1.91771  0.216127  3.93694      0.828936 4.36753      1.20237  3.54689      1.14436  1.95546  0.30744   1.71706  0.345374  
1 1 1 49 32 21 o 0.865745 0.331088  0.778309     0.801749 -0.119506    1.13484  1.67298      1.13285  0.761152 0.345288  1.13472  0.400049  
1 1 1 49 32 22 o 0.647304 0.291791  -0.124437    0.797858 -0.287118    1.12688  0.0390933    1.12981  0.728637 0.335064  0.776653 0.348808  
1 1 1 49 32 23 o 0.52575  0.254032  -0.95834     0.809688 -1.13206     1.13058  -0.775419    1.16014  0.622295 0.300594  0.667969 0.318055  
1 1 1 49 32 24 o 0.534453 0.258518  -0.94191     0.84736  -1.22155     1.18581  -0.650124    1.21129  0.61884  0.301019  0.680237 0.3243    
1 1 1 49 32 25 o 1.00924  0.362072  1.45778      0.931594 1.88345      1.29425  1.00011      1.342    1.07947  0.418779  0.909757 0.395597  
1 1 1 49 32 26 o 0.759725 0.334679  0.570464     0.986306 1.77375      1.47354  -0.406208    1.32755  0.976478 0.41938   0.691705 0.332078  
1 1 1 49 32 27 o 0.68645  0.312943  0.281012     0.956904 -0.906347    1.34677  1.49156      1.35986  0.632625 0.310678  0.894922 0.393615  
1 1 1 49 32 28 o 0.589763 0.282841  -0.38596     0.956775 0.707651     1.38673  -1.37952     1.32177  0.771661 0.361198  0.586116 0.291267  
1 1 1 49 33 0  o 2.73587  0.154049  7.61114      0.836804 7.61114      0.836804 7.61114      0.836804 2.74741  0.108065  ?        ?         
1 1 1 49 33 1  o 4.0037   0.0832027 16.0997      0.666236 15.581       0.931865 16.6421      0.952888 3.92968  0.118567  4.06168  0.117302  
1 1 1 49 33 2  o 1.02113  0.298097  1.12712      0.646397 1.59464      1.00816  0.80077      0.842319 1.20326  0.37713   0.934613 0.343392  
1 1 1 49 33 3  f 4.00255  0.0974048 16.1182      0.779735 15.9692      1.15184  16.2443      1.05938  3.96915  0.145099  4.00779  0.132165  
1 1 1 49 33 4  o 3.37109  0.112844  11.4589      0.760816 11.1534      1.12685  11.7147      1.03139  3.3083   0.170307  3.39705  0.151806  
1 1 1 49 33 5  o 1.89005  0.176946  3.64699      0.668874 3.86813      0.948853 3.42855      0.943034 1.9281   0.24606   1.81103  0.260359  
1 1 1 49 33 6  o 1.73179  0.184838  3.06978      0.6402   3.24682      0.901032 2.88929      0.909792 1.76262  0.255594  1.65728  0.274483  
1 1 1 49 33 7  o 0.623337 0.281352  -0.307043    0.744185 -0.645564    1.03144  0.0605248    1.07478  0.693118 0.31947   0.82426  0.356154  
1 1 1 49 33 8  o 2.57037  0.159194  6.73166      0.818379 6.11262      1.16437  7.33602      1.15048  2.42091  0.240481  2.66273  0.216034  
1 1 1 49 33 9  o 1.13812  0.326254  1.4397       0.781206 1.88904      1.13059  1.02914      1.08069  1.28721  0.398562  1.03978  0.387734  
1 1 1 49 33 10 o 2.08704  0.197095  4.48458      0.82269  4.73087      1.18662  4.25662      1.14161  2.11245  0.280863  2.00204  0.28511   
1 1 1 49 33 11 o 2.46792  0.170695  6.22746      0.842525 5.52092      1.15122  7.04235      1.23634  2.29458  0.250858  2.59755  0.237982  
1 1 1 49 33 12 o 2.68666  0.165272  7.38438      0.888057 7.97079      1.26596  6.81624      1.24609  2.76293  0.229097  2.54749  0.244571  
1 1 1 49 33 13 f 4.29328  0.131486  18.7125      1.12901  20.5338      1.53949  16.5932      1.6607   4.47354  0.172066  3.99833  0.207675  
1 1 1 49 33 14 o 0.72611  0.313316  0.0573996    0.829617 -0.341257    1.20063  0.42166      1.14767  0.788411 0.356532  0.902783 0.378106  
1 1 1 49 33 15 o 2.7112   0.161424  7.55298      0.875307 8.10255      1.22105  6.97205      1.25541  2.77664  0.21988   2.56062  0.245137  
1 1 1 49 33 16 o 3.1057   0.143687  9.87707      0.892497 8.78672      1.24389  11.034       1.28131  2.88726  0.215409  3.24901  0.197185  
1 1 1 49 33 17 f 1.63362  0.259586  2.89146      0.848132 3.35697      1.22925  2.46853      1.1717   1.6666   0.377486  1.41109  0.397986  
1 1 1 49 33 18 o 1.6286   0.256749  2.88383      0.836284 3.01912      1.20489  2.75808      1.16166  1.56168  0.387194  1.49176  0.386367  
1 1 1 49 33 19 o 0.695067 0.303985  0.0497598    0.801673 0.478998     1.111    -0.416506    1.15793  0.870537 0.368644  0.7377   0.339407  
1 1 1 49 33 20 o 1.12994  0.335071  1.56881      0.810759 2.61636      1.14421  0.512509     1.14898  1.41462  0.391441  0.872284 0.37233   
1 1 1 49 33 21 o 0.763587 0.318887  0.404944     0.812688 -0.964955    1.11632  1.94966      1.18541  0.644315 0.30816   1.19554  0.410395  
1 1 1 49 33 22 o 1.94597  0.221231  4.16534      0.86102  3.23465      1.18829  5.19411      1.24934  1.55406  0.384036  2.09652  0.297955  
1 1 1 49 33 23 o 0.941318 0.350233  1.14736      0.880774 0.208511     1.21577  2.18435      1.27774  0.791466 0.358298  1.18535  0.424157  
1 1 1 49 33 24 o 1.2226   0.348216  2.07906      0.892715 1.90842      1.19527  2.29434      1.3425   1.1028   0.408459  1.17245  0.433159  
1 1 1 49 33 25 o 1.13712  0.361775  1.94378      0.924302 2.91042      1.41469  1.22379      1.22093  1.25482  0.44658   0.918397 0.387558  
1 1 1 49 33 26 o 1.04931  0.373515  1.88748      0.989689 2.90331      1.40896  0.898108     1.39049  1.17057  0.441452  0.824267 0.376166  
1 1 1 49 33 27 o 0.622477 0.293449  -0.190397    0.961358 -0.193807    1.38446  -0.187222    1.33597  0.697964 0.336062  0.691823 0.332376  
1 1 1 49 33 28 o 0.623593 0.293967  0.102789     0.964646 0.64392      1.32538  -0.50676     1.40668  0.713583 0.339859  0.62639  0.309023  
1 1 1 49 34 0  o 1.34691  0.337372  2.17524      0.785236 2.17524      0.785236 2.17524      0.785236 1.42215  0.208502  ?        ?         
1 1 1 49 34 1  o 2.96678  0.0998221 8.86241      0.5923   8.89817      0.82113  8.82362      0.855184 2.96339  0.138546  2.94911  0.14499   
1 1 1 49 34 2  o 0.573321 0.260416  -0.327405    0.649509 -0.671364    1.0082   -0.0833715   0.849216 0.680938 0.314615  0.713887 0.312537  
1 1 1 49 34 3  f 2.48519  0.14088   6.26314      0.700226 7.24942      1.01458  5.36603      0.967628 2.65842  0.190824  2.28041  0.212161  
1 1 1 49 34 4  o 3.26657  0.114638  10.7722      0.748943 10.9315      1.06113  10.6141      1.05721  3.27534  0.161988  3.22675  0.16382   
1 1 1 49 34 5  o 3.91818  0.100426  15.4674      0.786975 15.5386      1.10339  15.3937      1.12276  3.91318  0.140984  3.8936   0.14418   
1 1 1 49 34 6  o 1.12213  0.319485  1.39567      0.751609 1.39999      1.0243   1.39062      1.10629  1.13617  0.381554  1.1413   0.396008  
1 1 1 49 34 7  o 3.7039   0.116197  13.8587      0.860765 13.9077      1.21786  13.8097      1.21675  3.69159  0.164951  3.67835  0.165394  
1 1 1 49 34 8  o 0.554796 0.262377  -0.83013     0.777638 -1.36623     1.15236  -0.381866    1.05374  0.652057 0.312158  0.738972 0.334101  
1 1 1 49 34 9  o 2.28722  0.187247  5.37244      0.85655  4.65846      1.21544  6.07686      1.20729  2.09141  0.290579  2.40753  0.250731  
1 1 1 49 34 10 o 3.01267  0.146423  9.23488      0.882248 8.93393      1.2253   9.55887      1.27135  2.93737  0.208571  3.03804  0.209238  
1 1 1 49 34 11 o 2.43701  0.173873  6.0961       0.847464 6.92063      1.19008  5.24782      1.20709  2.57135  0.231412  2.22039  0.27182   
1 1 1 49 34 12 o 2.67977  0.17405   7.37341      0.932826 6.83138      1.31089  7.92944      1.3277   2.5398   0.258069  2.74569  0.241779  
1 1 1 49 34 13 o 0.836885 0.335418  0.501516     0.852861 0.185173     1.20415  0.819951     1.20812  0.871989 0.376881  0.997425 0.399439  
1 1 1 49 34 14 o 1.50295  0.293428  2.5323       0.850552 2.93929      1.26004  2.19162      1.15283  1.55504  0.402224  1.34583  0.399646  
1 1 1 49 34 15 o 0.557128 0.266336  -0.937714    0.831409 -1.98449     1.18467  0.0782501    1.16711  0.595232 0.292015  0.831065 0.365096  
1 1 1 49 34 16 o 0.832148 0.328212  0.580101     0.803397 -0.711794    1.14669  1.82568      1.12594  0.705925 0.329734  1.22264  0.400037  
1 1 1 49 34 17 o 2.3815   0.182891  5.92315      0.871111 5.2128       1.17736  6.7824       1.29489  2.17973  0.27007   2.4948   0.259517  
1 1 1 49 34 18 o 1.87334  0.22151   3.76544      0.829927 3.37902      1.16283  4.16663      1.18487  1.66418  0.359574  1.90984  0.3102    
1 1 1 49 34 19 o 0.916955 0.337841  0.932887     0.815795 0.714963     1.1396   1.16195      1.16836  0.911609 0.37896   1.01196  0.396797  
1 1 1 49 34 20 o 2.23873  0.194371  5.3633       0.870288 5.39798      1.2085   5.32594      1.25432  2.17323  0.278044  2.14446  0.292455  
1 1 1 49 34 21 o 0.665993 0.296388  -0.0142102   0.799344 0.11298      1.13028  -0.141472    1.1306   0.783405 0.350432  0.745668 0.34      
1 1 1 49 34 22 o 0.842041 0.333213  0.787889     0.830607 0.678242     1.16657  0.900629     1.18291  0.863743 0.372105  0.907307 0.382109  
1 1 1 49 34 23 f 0.738412 0.323721  0.331536     0.913676 -0.0491149   1.24619  0.774001     1.34357  0.750974 0.348045  0.880298 0.388838  
1 1 1 49 34 24 o 0.585426 0.276332  -0.484626    0.857702 -1.18041     1.21344  0.210101     1.21251  0.618738 0.301692  0.76865  0.350985  
1 1 1 49 34 25 o 0.781623 0.337735  0.740843     0.966512 1.25011      1.46765  0.350853     1.28433  0.88259  0.396916  0.756478 0.351645  
1 1 1 49 34 26 o 0.795221 0.3419    0.862694     0.981192 0.366936     1.38703  1.35929      1.3882   0.755797 0.355179  0.880767 0.391346  
1 1 1 49 34 27 o 0.627574 0.299599  -0.0641655   1.04281  1.28589      1.52528  -1.24907     1.42894  0.802495 0.376198  0.596269 0.297211  
1 1 1 49 35 0  o 0.472562 0.31567   -0.149822    0.786825 -0.149822    0.786825 -0.149822    0.786825 0.390709 0.262192  ?        ?         
1 1 1 49 35 1  o 3.61535  0.0929334 13.1554      0.671974 12.1601      0.888889 14.4828      1.02653  3.46588  0.128234  3.77965  0.135798  
1 1 1 49 35 2  o 4.57734  0.095036  21.0941      0.870024 21.6262      1.20477  20.5141      1.25774  4.62105  0.130356  4.4964   0.139861  
1 1 1 49 35 3  f 1.95074  0.175351  3.89352      0.684131 5.38474      1.00254  2.59395      0.935906 2.27938  0.219915  1.53002  0.316566  
1 1 1 49 35 4  o 1.92483  0.175956  3.79171      0.677373 3.97551      0.982456 3.62517      0.93519  1.94753  0.252231  1.86003  0.251392  
1 1 1 49 35 5  o 2.2009   0.158956  4.93701      0.699694 5.12606      1.08337  4.80172      0.916472 2.21421  0.24464   2.1545   0.212687  
1 1 1 49 35 6  f 2.07037  0.192203  4.4076       0.795862 4.44351      1.09788  4.36782      1.15536  2.05247  0.267452  2.02784  0.284876  
1 1 1 49 35 7  o 2.39537  0.176803  5.8761       0.847018 5.89769      1.19517  5.85431      1.20057  2.37106  0.252033  2.36137  0.254211  
1 1 1 49 35 8  f 3.18623  0.145071  10.3265      0.924458 9.55544      1.32713  11.0534      1.28849  3.03254  0.218815  3.27335  0.196814  
1 1 1 49 35 9  o 3.05783  0.144304  9.52037      0.882513 9.30551      1.23938  9.74136      1.25693  2.99524  0.206891  3.06558  0.205007  
1 1 1 49 35 10 o 1.27607  0.328922  1.84755      0.844544 1.04137      1.16766  2.73196      1.22299  1.04743  0.399853  1.52194  0.397489  
1 1 1 49 35 11 o 2.53622  0.181212  6.62787      0.919183 6.35421      1.2713   6.92764      1.33057  2.44545  0.259932  2.55303  0.260586  
1 1 1 49 35 12 o 2.61742  0.171903  7.05837      0.899884 7.1493       1.3013   6.97504      1.24578  2.59193  0.251028  2.56512  0.242829  
1 1 1 49 35 13 o 2.19338  0.204266  5.03534      0.896067 3.65189      1.31151  6.24652      1.22715  1.74553  0.385966  2.41324  0.254254  
1 1 1 49 35 14 o 1.91926  0.224072  3.90554      0.860104 4.15271      1.31611  3.72129      1.13634  1.87474  0.364001  1.79782  0.328214  
1 1 1 49 35 15 o 1.11633  0.336505  1.4608       0.813207 2.75548      1.16055  0.211943     1.13983  1.49917  0.38508   0.841852 0.365303  
1 1 1 49 35 16 o 1.72128  0.233481  3.17872      0.803771 2.66931      1.12647  3.70707      1.14722  1.47016  0.380328  1.77784  0.334919  
1 1 1 49 35 17 o 0.804449 0.322766  0.528659     0.790952 0.704147     1.10975  0.347475     1.12762  0.916416 0.376787  0.849495 0.365902  
1 1 1 49 35 18 o 1.71411  0.238912  3.21637      0.819042 2.04884      1.1399   4.46246      1.17762  1.24643  0.402286  1.97044  0.298822  
1 1 1 49 35 19 o 0.455995 0.22639   -1.63616     0.789088 -2.48795     1.10271  -0.742254    1.12965  0.515068 0.257347  0.673508 0.317679  
1 1 1 49 35 20 o 1.1904   0.334073  1.78984      0.827595 1.21725      1.13055  2.45091      1.21477  1.00063  0.390739  1.32227  0.413884  
1 1 1 49 35 21 o 1.34247  0.331785  2.33165      0.886862 3.80161      1.19846  0.552338     1.31855  1.68969  0.365001  0.868836 0.384304  
1 1 1 49 35 22 o 0.963879 0.356977  1.27159      0.912917 0.152771     1.24442  2.57538      1.34336  0.778779 0.355595  1.24803  0.43606   
1 1 1 49 35 23 o 1.29839  0.344901  2.33871      0.911011 3.24387      1.30394  1.47554      1.27333  1.42083  0.425668  0.989546 0.404682  
1 1 1 49 35 24 o 1.04166  0.358877  1.72434      0.907188 1.43472      1.28503  2.0121       1.28089  0.924405 0.394142  1.03794  0.412825  
1 1 1 49 35 25 o 0.720171 0.325037  0.459906     0.993058 -1.38474     1.4658   2.02486      1.35011  0.622122 0.308825  0.98746  0.41161   
1 1 1 49 35 26 o 1.16877  0.379506  2.42971      1.01335  3.15767      1.51509  1.84047      1.36311  1.13278  0.449474  0.929664 0.401387  
1 1 1 49 36 0  o 1.89863  0.222718  3.81568      0.819311 3.81568      0.819311 3.81568      0.819311 1.92723  0.152501  ?        ?         
1 1 1 49 36 1  o 2.50772  0.116208  6.35374      0.582837 7.02601      0.80897  5.62815      0.840443 2.62688  0.153979  2.34365  0.179302  
1 1 1 49 36 2  o 2.7028   0.132064  7.40289      0.713884 6.16792      1.05092  8.46104      0.972776 2.44044  0.215313  2.87737  0.169039  
1 1 1 49 36 3  o 0.793409 0.302804  0.511926     0.669493 -0.0112016   1.02454  0.901767     0.884443 0.791028 0.344821  0.96656  0.35219   
1 1 1 49 36 4  o 1.50557  0.234074  2.36383      0.704829 2.85991      1.10577  2.02435      0.914739 1.58724  0.357001  1.33827  0.340768  
1 1 1 49 36 5  o 2.71903  0.154411  7.53587      0.839697 7.04172      1.1971   8.01449      1.17814  2.59842  0.230353  2.78095  0.211824  
1 1 1 49 36 6  o 3.54536  0.131901  12.7547      0.935272 11.836       1.32731  13.6607      1.31809  3.38587  0.196008  3.64609  0.180754  
1 1 1 49 36 7  o 2.52741  0.173792  6.55665      0.878484 6.68845      1.248    6.4272       1.23681  2.51963  0.247655  2.46848  0.25052   
1 1 1 49 36 8  o 3.45898  0.143863  12.1827      0.99524  12.3006      1.41386  12.067       1.40119  3.4438   0.205276  3.41086  0.205401  
1 1 1 49 36 9  o 1.15072  0.34478   1.50246      0.855428 2.19929      1.17805  0.725203     1.24417  1.36348  0.403813  0.989021 0.401504  
1 1 1 49 36 10 o 4.92833  0.12424   24.6615      1.22459  25.6606      1.69858  23.5802      1.76712  4.99468  0.170038  4.77574  0.18501   
1 1 1 49 36 11 o 3.01059  0.148906  9.27972      0.896589 9.15082      1.3097   9.39341      1.22999  2.94788  0.222142  2.99783  0.205146  
1 1 1 49 36 12 o 2.52133  0.174548  6.58071      0.880186 4.06181      1.25754  8.99981      1.23238  1.86811  0.349528  2.92584  0.210603  
1 1 1 49 36 13 o 1.44521  0.303382  2.38917      0.848962 2.38436      1.22802  2.39358      1.17497  1.38116  0.41295   1.39008  0.40065   
1 1 1 49 36 14 o 2.06256  0.205137  4.48075      0.846215 4.77834      1.23382  4.21643      1.16279  2.07243  0.297675  1.94605  0.298757  
1 1 1 49 36 15 o 0.744539 0.313568  0.261842     0.796639 1.55037      1.11577  -1.07803     1.13778  1.13305  0.397263  0.656087 0.313147  
1 1 1 49 36 16 o 2.78919  0.153419  8.05609      0.85583  8.486        1.20598  7.61993      1.21472  2.8176   0.214008  2.65798  0.228504  
1 1 1 49 36 17 o 1.16547  0.326785  1.65801      0.792228 1.10364      1.10784  2.23821      1.13335  0.991969 0.38691   1.30228  0.398205  
1 1 1 49 36 18 o 1.38384  0.301071  2.29425      0.810027 2.17904      1.13951  2.41194      1.15168  1.26818  0.40151   1.33606  0.4       
1 1 1 49 36 19 o 1.67362  0.246837  3.13295      0.826222 3.49495      1.15845  2.75816      1.17872  1.65315  0.360377  1.42314  0.398466  
1 1 1 49 36 20 o 1.34195  0.323123  2.29559      0.858127 2.02651      1.13646  2.65249      1.30887  1.18317  0.401901  1.32031  0.43131   
1 1 1 49 36 21 o 0.915645 0.353136  1.08952      0.917484 0.235502     1.20753  2.25588      1.41118  0.785507 0.356263  1.16463  0.441038  
1 1 1 49 36 22 o 0.945212 0.346972  1.22458      0.859807 0.230322     1.23302  2.16562      1.19957  0.780253 0.35558   1.16161  0.411446  
1 1 1 49 36 23 o 1.16877  0.347896  2.0458       0.872895 2.561        1.21123  1.4891       1.25907  1.20166  0.414613  0.945933 0.396099  
1 1 1 49 36 24 o 0.679576 0.311015  0.212519     0.958139 0.340208     1.40294  0.1009       1.31169  0.754586 0.355366  0.71932  0.340457  
1 1 1 49 36 25 o 0.751196 0.334637  0.640327     1.02123  -0.295144    1.4812   1.48792      1.40991  0.698888 0.338846  0.88876  0.394709  
1 1 1 49 36 26 o 0.752637 0.331598  0.946997     0.968641 1.06675      1.33968  0.815808     1.40218  0.75901  0.355231  0.732959 0.349313  
1 1 1 49 37 0  o 0.33478  0.24252   -1.28653     0.791449 -1.28653     0.791449 -1.28653     0.791449 0.250987 0.185279  ?        ?         
1 1 1 49 37 1  o 2.20647  0.123753  4.93232      0.546113 4.17328      0.736351 5.8602       0.814136 2.01436  0.182775  2.39141  0.170221  
1 1 1 49 37 2  o 0.86711  0.305633  0.747336     0.661187 0.512104     1.00803  0.924957     0.875938 0.888453 0.361156  0.966557 0.350659  
1 1 1 49 37 3  o 2.58692  0.145596  6.81619      0.75329  7.53176      1.23617  6.39352      0.950065 2.68307  0.230365  2.48935  0.190826  
1 1 1 49 37 4  o 2.07506  0.174471  4.42085      0.724077 3.83813      1.1553   4.79782      0.929228 1.88306  0.30676   2.14681  0.216421  
1 1 1 49 37 5  o 3.46994  0.13375   12.2302      0.928211 12.1675      1.35315  12.2858      1.27566  3.42988  0.197259  3.4536   0.184685  
1 1 1 49 37 6  o 2.45293  0.17979   6.18899      0.882028 5.85975      1.29813  6.47135      1.20215  2.34214  0.277124  2.48002  0.242366  
1 1 1 49 37 7  o 1.72707  0.251027  3.15865      0.86708  4.60334      1.25874  1.8541       1.19613  2.05741  0.305904  1.25974  0.412316  
1 1 1 49 37 8  o 0.934013 0.347482  0.84703      0.866951 1.0372       1.22036  0.653268     1.23182  1.04559  0.406441  0.965788 0.397009  
1 1 1 49 37 9  o 1.55836  0.282337  2.6966       0.847614 0.941404     1.16951  4.6387       1.23021  1.00952  0.396685  2.05815  0.298862  
1 1 1 49 37 10 o 1.77747  0.229062  3.3477       0.814299 3.4942       1.19304  3.21993      1.11418  1.72505  0.357796  1.66153  0.346633  
1 1 1 49 37 11 o 2.16622  0.188993  4.89345      0.8188   4.53175      1.16646  5.24479      1.14964  2.03111  0.28715   2.20229  0.261009  
1 1 1 49 37 12 o 2.92445  0.150326  8.79224      0.879245 8.71632      1.23255  8.87091      1.25462  2.87145  0.214621  2.8953   0.216665  
1 1 1 49 37 13 o 0.813367 0.327466  0.504296     0.81812  0.291991     1.17901  0.701451     1.13617  0.863343 0.373033  0.933126 0.382046  
1 1 1 49 37 14 o 1.45606  0.299022  2.44645      0.840881 2.97577      1.26046  2.02195      1.12878  1.52845  0.405548  1.26509  0.39952   
1 1 1 49 37 15 o 0.764239 0.317693  0.366631     0.80089  -0.697485    1.1206   1.4777       1.14505  0.687113 0.322171  1.10014  0.400746  
1 1 1 49 37 16 o 1.69803  0.238698  3.16266      0.810631 3.19933      1.15251  3.12675      1.1404   1.59027  0.369151  1.57168  0.368753  
1 1 1 49 37 17 o 0.64439  0.289882  -0.116708    0.783434 -0.999965    1.09736  0.801448     1.11883  0.634795 0.304068  0.914786 0.377586  
1 1 1 49 37 18 f 1.24388  0.325143  1.93008      0.817879 2.41648      1.11331  1.35979      1.20549  1.33576  0.391624  1.03771  0.403838  
1 1 1 49 37 19 o 1.96397  0.225087  4.30246      0.884131 4.12549      1.23288  4.48984      1.26859  1.77343  0.360132  1.85966  0.353832  
1 1 1 49 37 20 o 0.993284 0.355687  1.35327      0.898655 3.05876      1.23161  -0.58857     1.31418  1.42552  0.409976  0.709759 0.338219  
1 1 1 49 37 21 o 1.50032  0.3081    2.88996      0.892747 3.22367      1.23809  2.52853      1.28849  1.45148  0.409019  1.23864  0.427606  
1 1 1 49 37 22 o 0.569197 0.269123  -0.440007    0.817698 -0.616604    1.13178  -0.247163    1.1827   0.638887 0.306695  0.689682 0.325233  
1 1 1 49 37 23 o 0.830763 0.344939  1.01079      0.942417 1.07017      1.44266  0.966591     1.2447   0.848083 0.38599   0.828345 0.369211  
1 1 1 49 37 24 o 1.09686  0.377722  2.0818       1.00487  1.95487      1.40233  2.21576      1.44063  0.977017 0.413972  1.01733  0.424694  
1 1 1 49 37 25 o 0.779625 0.340054  1.07682      0.997652 1.20595      1.39249  0.940627     1.43004  0.779786 0.363895  0.751235 0.355526  
1 1 1 49 38 0  o 1.6042   0.270736  2.85301      0.794307 2.85301      0.794307 2.85301      0.794307 1.6515   0.174503  ?        ?         
1 1 1 49 38 1  o 1.70335  0.15789   2.96622      0.537884 3.1555       0.741201 2.75565      0.781786 1.74128  0.212832  1.61813  0.241571  
1 1 1 49 38 2  o 3.22994  0.117758  10.5639      0.760701 11.7412      1.24722  9.86652      0.959915 3.37454  0.184799  3.10757  0.154448  
1 1 1 49 38 3  o 0.846387 0.31184   0.671174     0.695055 0.91095      1.12925  0.524936     0.881897 1.00545  0.390946  0.853395 0.341477  
1 1 1 49 38 4  o 2.12511  0.190731  4.67345      0.810647 5.25772      1.22177  4.21395      1.0835   2.21386  0.275937  1.98331  0.273154  
1 1 1 49 38 5  o 2.90713  0.148804  8.63829      0.865185 8.733        1.27749  8.55804      1.17593  2.88583  0.221338  2.86616  0.20514   
1 1 1 49 38 6  o 0.891394 0.334611  0.749859     0.807485 0.0449054    1.1701   1.39085      1.11575  0.834344 0.366056  1.11762  0.396715  
1 1 1 49 38 7  o 1.48524  0.290431  2.47056      0.831948 2.30577      1.15325  2.64937      1.20133  1.37908  0.396752  1.47713  0.397742  
1 1 1 49 38 8  o 1.55174  0.288623  2.69876      0.862271 3.70806      1.22915  1.72074      1.20995  1.77793  0.35824   1.20187  0.414422  
1 1 1 49 38 9  o 2.71827  0.160756  7.61683      0.873959 7.88899      1.26672  7.36958      1.20734  2.72245  0.232644  2.63363  0.229217  
1 1 1 49 38 10 o 0.851211 0.329429  0.650669     0.799882 0.668045     1.15789  0.634807     1.10628  0.935744 0.384827  0.917599 0.376555  
1 1 1 49 38 11 o 2.32031  0.180276  5.6057       0.836595 4.12707      1.17315  7.1357       1.19336  1.92076  0.305388  2.5851   0.230815  
1 1 1 49 38 12 f 1.14555  0.338285  1.55924      0.827809 2.36586      1.16699  0.742283     1.17444  1.36996  0.400732  0.946253 0.388092  
1 1 1 49 38 13 o 2.79555  0.180126  8.1841       1.0071   5.91665      1.4634   10.2242      1.38809  2.26712  0.322745  3.0863   0.224879  
1 1 1 49 38 14 o 1.39756  0.306093  2.30429      0.832124 1.47426      1.23493  2.99457      1.12618  1.09809  0.413487  1.54741  0.368636  
1 1 1 49 38 15 o 2.3011   0.181766  5.60095      0.836525 5.48818      1.15498  5.72538      1.21321  2.21411  0.260824  2.25364  0.269168  
1 1 1 49 38 16 o 1.67148  0.256679  3.13794      0.858064 4.33547      1.18521  1.8189       1.24388  1.919    0.30881   1.15718  0.418059  
1 1 1 49 38 17 o 1.15644  0.338656  1.69809      0.832989 2.62759      1.16099  0.711986     1.19583  1.38694  0.397778  0.901057 0.382058  
1 1 1 49 38 18 o 0.724469 0.313688  0.27239      0.837056 -1.20557     1.15126  1.92999      1.21922  0.617515 0.299186  1.14622  0.413913  
1 1 1 49 38 19 o 1.06405  0.345273  1.54966      0.838878 0.931896     1.22361  2.09752      1.15231  0.902877 0.384774  1.17302  0.404433  
1 1 1 49 38 20 o 0.627052 0.28732   -0.144138    0.820425 -0.372181    1.13511  0.105294     1.18715  0.683774 0.321326  0.756807 0.346291  
1 1 1 49 38 21 o 0.992783 0.349273  1.45244      0.863118 0.321935     1.18513  2.72937      1.25954  0.766923 0.349263  1.25915  0.423104  
1 1 1 49 38 22 o 1.68886  0.278602  3.69637      0.941036 4.39531      1.36053  3.0553       1.30299  1.59569  0.420401  1.25849  0.43034   
1 1 1 49 38 23 o 1.14243  0.368088  2.16954      0.954627 1.93445      1.33044  2.41902      1.37054  0.982262 0.408968  1.06944  0.426501  
1 1 1 49 38 24 o 1.11517  0.380568  2.37143      1.01902  -0.135273    1.33821  5.83099      1.57211  0.665712 0.322546  1.6674   0.457713  
1 1 1 49 39 0  o 0.745621 0.407981  0.882438     0.856227 0.882438     0.856227 0.882438     0.856227 0.752983 0.35681   ?        ?         
1 1 1 49 39 1  o 0.482365 0.226792  -0.54973     0.566843 -0.0761228   0.723231 -1.304       0.912706 0.651275 0.28675   0.553271 0.267739  
1 1 1 49 39 2  o 2.64365  0.142621  7.1404       0.75408  7.45414      1.17087  6.91803      0.985729 2.66259  0.219875  2.5806   0.190988  
1 1 1 49 39 3  o 2.19996  0.172579  4.99615      0.759335 5.83336      1.33016  4.59143      0.924837 2.31372  0.28745   2.08791  0.221475  
1 1 1 49 39 4  o 1.49788  0.292725  2.51983      0.845657 3.35331      1.23655  1.78752      1.15908  1.67731  0.377704  1.22283  0.405881  
1 1 1 49 39 5  o 1.94733  0.208158  3.97966      0.810705 3.7844       1.13865  4.1804       1.15454  1.81961  0.324554  1.949    0.296186  
1 1 1 49 39 6  o 0.671561 0.297269  -0.0971164   0.790949 -1.11803     1.10687  0.968153     1.13066  0.647206 0.308897  1.00074  0.390762  
1 1 1 49 39 7  f 1.48797  0.287733  2.49633      0.825711 3.32757      1.20593  1.76267      1.13295  1.6664   0.371439  1.2073   0.401279  
1 1 1 49 39 8  o 1.82598  0.235159  3.56217      0.85879  2.91344      1.24047  4.1593       1.19012  1.53329  0.400257  1.92926  0.308439  
1 1 1 49 39 9  o 0.654548 0.294352  -0.204796    0.807098 -0.54172     1.15809  0.113392     1.12543  0.730799 0.337476  0.819925 0.359369  
1 1 1 49 39 10 o 0.687983 0.301481  0.00575308   0.791734 -0.75937     1.12636  0.752997     1.11312  0.689569 0.323264  0.937571 0.380107  
1 1 1 49 39 11 o 2.96809  0.146333  9.07537      0.868662 9.18235      1.23248  8.96978      1.2245   2.94059  0.209564  2.90541  0.210728  
1 1 1 49 39 12 o 1.39545  0.302101  2.27957      0.819323 3.223        1.14582  1.2925       1.17202  1.61852  0.362972  1.05632  0.40137   
1 1 1 49 39 13 o 3.22549  0.146408  10.7689      0.944476 11.4714      1.28633  9.9471       1.39121  3.28453  0.195817  3.02454  0.229986  
1 1 1 49 39 14 o 0.571836 0.271096  -0.721513    0.83472  -0.847843    1.19526  -0.601246    1.16622  0.683042 0.324093  0.70211  0.329105  
1 1 1 49 39 15 o 0.78198  0.327875  0.431484     0.864592 0.0265339    1.22097  0.838756     1.22447  0.797557 0.360163  0.935332 0.39107   
1 1 1 49 39 16 o 0.724974 0.314395  0.215569     0.843306 0.68198      1.19213  -0.251598    1.1931   0.891917 0.379939  0.745752 0.343679  
1 1 1 49 39 17 o 0.73004  0.313586  0.320511     0.82408  -0.0990676   1.20504  0.689117     1.12948  0.754092 0.346652  0.864192 0.369025  
1 1 1 49 39 18 o 1.01187  0.340114  1.38654      0.813892 1.20419      1.15333  1.56744      1.14872  0.951425 0.386458  1.03428  0.396084  
1 1 1 49 39 19 o 0.648226 0.293673  -0.013297    0.818263 -0.048183    1.12632  0.025695     1.19076  0.723131 0.333508  0.746593 0.343787  
1 1 1 49 39 20 o 1.56463  0.293985  3.14473      0.886104 4.64847      1.2785   1.75463      1.22924  1.80508  0.366896  1.02913  0.405957  
1 1 1 49 39 21 o 1.1337   0.345383  1.97566      0.853662 0.845008     1.19419  3.15719      1.22077  0.814067 0.362278  1.33174  0.414516  
1 1 1 49 39 22 o 1.61017  0.30397   3.56806      0.943131 2.86602      1.34397  4.24921      1.32383  1.17293  0.433385  1.55489  0.417012  
1 1 1 49 39 23 o 0.653753 0.306864  0.066587     1.02681  -0.395937    1.34952  0.702488     1.58237  0.657568 0.320182  0.773974 0.369385  
1 1 1 49 40 0  o 1.58785  0.331439  2.95409      0.927347 2.95409      0.927347 2.95409      0.927347 1.66363  0.204005  ?        ?         
1 1 1 49 40 1  o 2.97735  0.114626  9.00293      0.682564 8.30586      0.915255 9.87641      1.02455  2.83861  0.161215  3.0928   0.165634  
1 1 1 49 40 2  o 0.969929 0.315211  1.05288      0.699069 1.84586      1.14422  0.580601     0.883039 1.23261  0.40327   0.854751 0.341832  
1 1 1 49 40 3  o 2.03588  0.187189  4.32092      0.762188 3.10079      1.27141  5.00538      0.952271 1.5857   0.400544  2.1753   0.218883  
1 1 1 49 40 4  o 2.43058  0.193124  6.17746      0.938809 7.22478      1.2838   4.97362      1.37639  2.59274  0.247575  2.09668  0.32823   
1 1 1 49 40 5  o 1.72409  0.244174  3.19173      0.841958 4.19431      1.16317  2.08825      1.2203   1.94329  0.29928   1.29427  0.416082  
1 1 1 49 40 6  o 0.672612 0.300098  -0.146486    0.824168 -0.727253    1.16023  0.445057     1.17094  0.70795  0.331066  0.89232  0.378193  
1 1 1 49 40 7  o 0.993852 0.341704  1.11106      0.822082 2.44748      1.15845  -0.244665    1.16679  1.40113  0.395909  0.773607 0.350568  
1 1 1 49 40 8  o 1.55822  0.291085  2.76193      0.873468 2.95062      1.22687  2.56798      1.24385  1.5353   0.39679   1.41907  0.413275  
1 1 1 49 40 9  o 1.7175   0.249756  3.20853      0.857909 3.14181      1.19973  3.27835      1.22727  1.59143  0.381348  1.62524  0.383331  
1 1 1 49 40 10 o 1.38978  0.308501  2.2706       0.834909 2.9854       1.16446  1.51437      1.19773  1.54361  0.379375  1.11489  0.409492  
1 1 1 49 40 11 o 0.949084 0.342098  1.01988      0.83251  1.02038      1.15758  1.01933      1.19816  0.984673 0.392196  0.989438 0.397145  
1 1 1 49 40 12 o 2.34001  0.192416  5.82625      0.90051  5.99178      1.22912  5.63445      1.3231   2.30976  0.26607   2.20758  0.299671  
1 1 1 49 40 13 o 1.46548  0.303852  2.57048      0.860673 3.76623      1.19421  1.27809      1.24152  1.73133  0.357076  1.03058  0.407522  
1 1 1 49 40 14 o 0.642975 0.295738  -0.321129    0.878425 -0.242745    1.25948  -0.395372    1.22577  0.768573 0.353765  0.74053  0.343963  
1 1 1 49 40 15 f 0.811217 0.326876  0.62858      0.816149 0.158061     1.20547  1.02679      1.10897  0.802043 0.360253  0.946209 0.38113   
1 1 1 49 40 16 o 1.25226  0.328195  2.03688      0.831919 2.40064      1.18064  1.67816      1.17243  1.2728   0.409273  1.07935  0.403585  
1 1 1 49 40 17 o 1.17643  0.331066  1.85727      0.81167  1.13618      1.1573   2.55534      1.13867  0.935391 0.384714  1.30444  0.399195  
1 1 1 49 40 18 o 1.46029  0.297411  2.7          0.838478 3.51191      1.18726  1.89209      1.18432  1.56176  0.3826    1.09732  0.406553  
1 1 1 49 40 19 o 0.968506 0.346542  1.3603       0.852893 -0.250998    1.2112   2.94513      1.20121  0.70086  0.330101  1.34707  0.409565  
1 1 1 49 40 20 o 1.70847  0.2543    3.62819      0.868924 4.61435      1.22574  2.63195      1.23198  1.75989  0.360661  1.18348  0.41719   
1 1 1 49 40 21 o 0.60954  0.284112  -0.0853389   0.845654 0.33516      1.20116  -0.498599    1.19078  0.730335 0.339714  0.638019 0.308241  
1 1 1 49 40 22 f 1.3783   0.364474  3.08822      1.02024  3.00624      1.41151  3.17791      1.47635  1.14287  0.438655  1.15431  0.447382  
1 1 1 49 41 0  f 5.08605  0.127564  26.1811      1.29575  26.1811      1.29575  26.1811      1.29575  5.1014   0.0898654 ?        ?         
1 1 1 49 41 1  o 0.606265 0.262188  0.0237085    0.58342  0.441879     0.757077 -0.587739    0.915467 0.780941 0.314763  0.636773 0.296341  
1 1 1 49 41 2  o 1.91333  0.18916   3.82739      0.723852 2.76378      1.099    4.64232      0.961988 1.5119   0.366695  2.08497  0.230695  
1 1 1 49 41 3  o 1.91653  0.216045  3.89364      0.828113 4.85312      1.37011  3.34137      1.03947  2.06085  0.332414  1.70231  0.317133  
1 1 1 49 41 4  o 0.870139 0.335993  0.706156     0.831093 0.611506     1.20917  0.79091      1.14421  0.929086 0.388549  0.952793 0.385749  
1 1 1 49 41 5  o 0.562278 0.265183  -0.718007    0.786708 -0.149103    1.15937  -1.20351     1.07102  0.782963 0.352407  0.61975  0.297712  
1 1 1 49 41 6  o 1.73814  0.239234  3.26013      0.831642 5.27722      1.19733  1.37987      1.156    2.18648  0.273802  1.08827  0.401971  
1 1 1 49 41 7  o 1.67194  0.254329  3.05687      0.850448 3.60244      1.223    2.54607      1.18341  1.71681  0.366912  1.41107  0.400611  
1 1 1 49 41 8  o 1.45637  0.315508  2.50776      0.893086 2.98869      1.35011  2.13361      1.19085  1.49871  0.42867   1.28076  0.410961  
1 1 1 49 41 9  o 1.7523   0.245881  3.3663       0.861715 2.96713      1.21295  3.77306      1.22443  1.51412  0.396041  1.74835  0.362355  
1 1 1 49 41 10 o 0.970063 0.339235  1.11028      0.813172 -0.202181    1.17781  2.3057       1.12407  0.76245  0.347483  1.32203  0.395048  
1 1 1 49 41 11 o 0.683037 0.301037  0.0471424    0.79925  -0.605877    1.17382  0.611583     1.09131  0.703453 0.329814  0.87243  0.367199  
1 1 1 49 41 12 o 2.83694  0.15965   8.43523      0.905835 8.95587      1.29621  7.93825      1.2664   2.85821  0.226751  2.68095  0.236185  
1 1 1 49 41 13 o 0.760638 0.317407  0.414707     0.804199 0.647831     1.12953  0.175049     1.14525  0.878476 0.371841  0.798212 0.355012  
1 1 1 49 41 14 o 0.872956 0.338619  0.863617     0.846138 0.927802     1.24051  0.807775     1.15708  0.931066 0.391669  0.898316 0.378099  
1 1 1 49 41 15 o 1.77532  0.235638  3.58188      0.836666 3.01314      1.22319  4.08193      1.14694  1.43072  0.407641  1.78089  0.334332  
1 1 1 49 41 16 o 1.89161  0.22308   4.05962      0.843961 4.84156      1.25571  3.41541      1.13977  1.94513  0.322784  1.56349  0.369829  
1 1 1 49 41 17 o 0.830584 0.33063   0.820801     0.822239 0.178693     1.19035  1.40677      1.13712  0.765789 0.349092  0.982577 0.389545  
1 1 1 49 41 18 o 0.631638 0.289779  -0.0714249   0.837411 -0.629562    1.18137  0.492246     1.18721  0.652139 0.313126  0.790192 0.356083  
1 1 1 49 41 19 o 0.639142 0.290956  0.0955699    0.820673 -0.246989    1.15407  0.445998     1.16725  0.665714 0.317096  0.753491 0.344191  
1 1 1 49 41 20 o 0.687874 0.30624   0.379398     0.85408  1.19504      1.15926  -0.588915    1.26311  0.856603 0.370005  0.643798 0.312377  
1 1 1 49 41 21 o 0.612801 0.286747  -0.0612493   0.872068 -1.60323     1.24801  1.41007      1.21908  0.559613 0.278775  0.87646  0.379017  
1 1 1 49 41 22 o 0.895029 0.35539   1.59842      0.947815 1.99302      1.35587  1.22132      1.32547  0.880322 0.389504  0.778199 0.360004  
1 1 1 49 42 0  o 0.524181 0.343515  0.0629798    0.8644   0.0629798    0.8644   0.0629798    0.8644   0.451274 0.29294   ?        ?         
1 1 1 49 42 1  o 1.81245  0.199548  3.46932      0.723341 3.6279       1.12208  3.35656      0.946179 1.75556  0.331678  1.74385  0.271289  
1 1 1 49 42 2  o 0.780474 0.315484  0.456214     0.763637 0.657433     1.14048  0.292686     1.02813  0.916877 0.38      0.817034 0.350585  
1 1 1 49 42 3  o 2.04718  0.215063  4.47189      0.880544 5.34591      1.31526  3.76195      1.1854   2.17271  0.302678  1.77358  0.346543  
1 1 1 49 42 4  o 0.813098 0.333481  0.484957     0.867174 0.958751     1.16805  -0.0968713   1.29439  0.981743 0.392926  0.820833 0.370746  
1 1 1 49 42 5  o 0.929041 0.336935  0.951489     0.808657 0.756587     1.13065  1.15559      1.15703  0.928847 0.380843  1.02142  0.39602   
1 1 1 49 42 6  o 0.807938 0.323728  0.551239     0.794142 1.69109      1.14931  -0.490192    1.09858  1.15273  0.403282  0.705174 0.326805  
1 1 1 49 42 7  o 0.927354 0.331075  0.974006     0.778073 1.35939      1.13608  0.633546     1.06781  1.05987  0.397086  0.882995 0.366933  
1 1 1 49 42 8  o 0.747291 0.31541   0.317863     0.80891  -0.10478     1.18983  0.68109      1.10303  0.777751 0.353059  0.893863 0.372285  
1 1 1 49 42 9  o 0.796259 0.321561  0.549164     0.792288 0.0749747    1.13384  1.00161      1.10755  0.786097 0.351327  0.958414 0.38302   
1 1 1 49 42 10 o 1.76234  0.234681  3.42697      0.827176 1.37389      1.20768  5.24125      1.13528  1.04798  0.404951  2.15413  0.263512  
1 1 1 49 42 11 o 0.835933 0.326615  0.71357      0.790166 0.330737     1.13309  1.07599      1.10247  0.823005 0.360656  0.967678 0.383587  
1 1 1 49 42 12 o 1.37001  0.313547  2.31974      0.840954 2.18472      1.19236  2.45338      1.18624  1.23793  0.411667  1.31605  0.408407  
1 1 1 49 42 13 f 2.00806  0.220357  4.48664      0.884981 4.99877      1.27526  4.0109       1.22912  2.01404  0.316591  1.73761  0.365249  
1 1 1 49 42 14 o 2.39044  0.193636  6.26066      0.925751 5.21355      1.33656  7.22624      1.28347  2.01982  0.330861  2.4861   0.25813   
1 1 1 49 42 15 o 1.28405  0.318649  2.16865      0.815488 2.17831      1.18579  2.15998      1.12329  1.17608  0.409806  1.18544  0.399565  
1 1 1 49 42 16 o 0.925668 0.344193  1.16351      0.85039  1.14894      1.2793   1.17504      1.13828  0.927895 0.394373  0.928966 0.381715  
1 1 1 49 42 17 o 0.632432 0.286486  0.0541169    0.778499 -0.297496    1.0923   0.417105     1.10983  0.662501 0.312457  0.761928 0.343764  
1 1 1 49 42 18 o 1.14206  0.347592  2.01884      0.864895 2.35022      1.24762  1.71224      1.20006  1.10348  0.415589  0.969627 0.394089  
1 1 1 49 42 19 o 1.9439   0.231555  4.59278      0.900238 4.32669      1.21082  4.92168      1.34616  1.65738  0.374129  1.72792  0.397551  
1 1 1 49 42 20 o 0.846442 0.339771  1.14229      0.87706  1.89232      1.28261  0.483573     1.20201  0.957152 0.400224  0.73802  0.341956  
1 1 1 49 42 21 o 0.535054 0.261086  -0.611529    0.915094 -0.493246    1.29095  -0.73099     1.29736  0.612205 0.301558  0.596413 0.294843  
1 1 1 49 43 0  o 2.51835  0.26875   6.90319      1.31837  6.90319      1.31837  6.90319      1.31837  2.57456  0.183177  ?        ?         
1 1 1 49 43 1  o 1.97247  0.212618  4.17236      0.838766 4.8259       1.10982  3.30184      1.28087  2.08061  0.266704  1.59367  0.401716  
1 1 1 49 43 2  o 0.774364 0.318404  0.429658     0.792533 -1.47103     1.16661  2.05864      1.08001  0.618584 0.300163  1.26066  0.389385  
1 1 1 49 43 3  o 2.39173  0.18187   6.03165      0.869967 5.82904      1.32735  6.18422      1.15187  2.2579   0.293934  2.37356  0.242645  
1 1 1 49 43 4  o 3.31288  0.145728  11.3689      0.965561 12.5809      1.3524   10.1088      1.37901  3.43556  0.196824  3.0496   0.226096  
1 1 1 49 43 5  o 2.08079  0.205614  4.6499       0.855679 4.40042      1.21448  4.89582      1.20579  1.93709  0.313481  2.06324  0.292208  
1 1 1 49 43 6  o 2.72407  0.167432  7.79828      0.912194 7.74285      1.29008  7.85371      1.28999  2.64314  0.244044  2.66405  0.242111  
1 1 1 49 43 7  o 0.543725 0.26143   -0.929588    0.830554 0.441412     1.21258  -2.14124     1.13994  0.863208 0.375709  0.550611 0.273192  
1 1 1 49 43 8  o 1.29356  0.332022  2.08997      0.863245 2.46021      1.29992  1.7979       1.15458  1.31739  0.429833  1.15456  0.404179  
1 1 1 49 43 9  o 1.35561  0.312191  2.24427      0.829499 1.55317      1.19079  2.89577      1.15616  1.08551  0.406565  1.4732   0.38727   
1 1 1 49 43 10 o 1.61573  0.253666  2.95502      0.819712 3.73323      1.19653  2.26675      1.12525  1.69848  0.362864  1.27681  0.39808   
1 1 1 49 43 11 o 0.871946 0.335429  0.879613     0.826678 1.13465      1.22315  0.665152     1.12163  0.965274 0.396003  0.861712 0.367847  
1 1 1 49 43 12 o 2.1361   0.217708  5.09629      0.930095 4.59522      1.38807  5.50458      1.25299  1.81126  0.394163  2.13064  0.29404   
1 1 1 49 43 13 o 1.21542  0.32964   1.97535      0.821485 1.07481      1.17473  2.83719      1.14921  0.922702 0.384238  1.38486  0.395296  
1 1 1 49 43 14 o 0.814727 0.33007   0.746882     0.838518 -0.649125    1.19607  2.09615      1.17588  0.669317 0.319844  1.15288  0.407461  
1 1 1 49 43 15 o 1.39415  0.302197  2.508        0.818892 1.21279      1.15882  3.79993      1.15736  0.933298 0.384597  1.65026  0.360602  
1 1 1 49 43 16 o 0.52241  0.2529    -0.779352    0.817292 -1.21786     1.17389  -0.366836    1.13857  0.588363 0.289299  0.658149 0.313922  
1 1 1 49 43 17 o 0.89122  0.342279  1.23367      0.859837 0.548928     1.18461  1.99611      1.25001  0.764641 0.348483  1.01697  0.406705  
1 1 1 49 43 18 o 1.28515  0.331817  2.45011      0.858505 4.30711      1.24397  0.761275     1.18631  1.63047  0.386806  0.788228 0.355532  
1 1 1 49 43 19 o 0.527711 0.2564    -0.723553    0.856077 -2.59057     1.22666  1.04923      1.1953   0.499762 0.25265   0.815564 0.362709  
1 1 1 49 43 20 f 0.892026 0.353031  1.57081      0.932438 1.44243      1.35273  1.68703      1.28705  0.804384 0.368726  0.84424  0.375891  
1 1 1 49 44 0  o 0.777411 0.465416  1.0201       1.26138  1.0201       1.26138  1.0201       1.26138  0.767512 0.417417  ?        ?         
1 1 1 49 44 1  o 0.667172 0.303193  -0.1954      0.882784 0.728685     1.2196   -1.2124      1.27944  0.916768 0.387132  0.671084 0.323106  
1 1 1 49 44 2  o 2.11868  0.216049  4.87474      0.915474 5.85209      1.29147  3.88762      1.29791  2.2551   0.286344  1.73007  0.385142  
1 1 1 49 44 3  o 1.29009  0.337241  2.08513      0.879846 2.24181      1.21895  1.9147       1.27128  1.27351  0.41623   1.18072  0.423026  
1 1 1 49 44 4  f 0.774099 0.323597  0.422785     0.838149 0.301392     1.13561  0.568035     1.24219  0.822205 0.360676  0.889335 0.383563  
1 1 1 49 44 5  o 2.08202  0.203124  4.67434      0.845814 4.36814      1.18259  4.995        1.21021  1.92567  0.307061  2.07458  0.291676  
1 1 1 49 44 6  o 0.63931  0.290115  -0.171865    0.801893 -1.53134     1.12515  1.23146      1.14316  0.59066  0.288456  1.00707  0.392981  
1 1 1 49 44 7  o 0.956457 0.343247  1.10774      0.837299 -0.056274    1.20871  2.18163      1.16097  0.778023 0.353891  1.25331  0.406136  
1 1 1 49 44 8  o 0.621845 0.288358  -0.373365    0.856933 0.363485     1.21834  -1.09481     1.20554  0.835469 0.369496  0.650093 0.313156  
1 1 1 49 44 9  o 2.10169  0.213093  4.87434      0.895708 5.72519      1.27987  4.05759      1.25397  2.18908  0.292331  1.74452  0.370573  
1 1 1 49 44 10 o 1.80456  0.242293  3.72408      0.874468 3.86409      1.22831  3.58019      1.24524  1.68237  0.374777  1.5915   0.393035  
1 1 1 49 44 11 o 0.646762 0.293013  -0.0419669   0.814619 1.05113      1.17303  -1.06022     1.13215  0.9211   0.38379   0.615849 0.298051  
1 1 1 49 44 12 o 1.4252   0.304629  2.59677      0.842947 3.06394      1.19092  2.12773      1.19329  1.42969  0.400596  1.16047  0.410436  
1 1 1 49 44 13 o 0.528883 0.255742  -0.875041    0.82672  0.326455     1.1941   -1.98115     1.14572  0.786144 0.355531  0.542226 0.269693  
1 1 1 49 44 14 o 0.551    0.263794  -0.629311    0.823241 -1.25064     1.16899  -0.0179833   1.15955  0.595845 0.291693  0.71964  0.334368  
1 1 1 49 44 15 o 0.649066 0.294843  0.118792     0.832917 -0.168543    1.16981  0.414237     1.18621  0.682333 0.322275  0.757606 0.346447  
1 1 1 49 44 16 o 0.925469 0.338835  1.34412      0.819486 0.873741     1.14167  1.84406      1.177    0.805817 0.356865  0.990008 0.39511   
1 1 1 49 44 17 o 1.01163  0.348564  1.64666      0.855812 1.17409      1.2009   2.13431      1.21993  0.856922 0.373435  1.04579  0.406399  
1 1 1 49 44 18 o 0.743723 0.318485  0.73333      0.845487 0.197719     1.21251  1.24024      1.17957  0.69741  0.329003  0.839545 0.367941  
1 1 1 49 45 0  o 2.45725  0.280881  6.70717      1.33936  6.70717      1.33936  6.70717      1.33936  2.52617  0.18992   ?        ?         
1 1 1 49 45 1  o 0.927827 0.352035  0.993881     0.900516 0.928255     1.25277  1.06404      1.29534  0.951141 0.396484  0.982126 0.405884  
1 1 1 49 45 2  o 0.664892 0.301586  -0.14979     0.865511 1.06586      1.22912  -1.34546     1.21898  0.974956 0.397968  0.635896 0.30802   
1 1 1 49 45 3  o 1.74321  0.26598   3.46607      0.927316 3.71532      1.31072  3.21628      1.31213  1.65762  0.399476  1.51332  0.419338  
1 1 1 49 45 4  o 2.06589  0.227513  4.72164      0.940036 5.04538      1.33462  4.40291      1.32426  2.03197  0.328406  1.83766  0.3733    
1 1 1 49 45 5  o 0.483443 0.238652  -1.52788     0.842323 -1.53244     1.13352  -1.52227     1.25874  0.587873 0.287659  0.626592 0.305836  
1 1 1 49 45 6  o 0.816758 0.329973  0.668176     0.834764 1.22513      1.17322  0.0971213    1.18799  0.98201  0.393477  0.780129 0.35362   
1 1 1 49 45 7  o 1.88296  0.230936  3.99346      0.869685 4.46978      1.25761  3.55691      1.20398  1.84947  0.352652  1.61081  0.379515  
1 1 1 49 45 8  f 0.778758 0.327732  0.527735     0.86914  -0.306517    1.26234  1.27968      1.19845  0.732713 0.343262  0.976492 0.395015  
1 1 1 49 45 9  o 2.06818  0.216113  4.80355      0.893923 4.61712      1.27548  4.98353      1.25321  1.85374  0.35676   1.98888  0.315054  
1 1 1 49 45 10 o 0.582303 0.273828  -0.461309    0.827068 -0.00376328  1.15103  -0.949705    1.1892   0.736444 0.338647  0.638489 0.308394  
1 1 1 49 45 11 o 0.80312  0.329116  0.702798     0.843922 0.948989     1.21075  0.470168     1.17694  0.891628 0.381449  0.806855 0.359343  
1 1 1 49 45 12 o 0.702412 0.309726  0.261723     0.847466 0.170128     1.16634  0.364166     1.23348  0.754458 0.344393  0.792616 0.359719  
1 1 1 49 45 13 o 0.907545 0.342187  1.2171       0.846416 1.08342      1.19176  1.35315      1.20234  0.87197  0.37588   0.922078 0.386634  
1 1 1 49 45 14 o 1.16398  0.352243  2.10967      0.889889 1.79937      1.20058  2.48801      1.32569  0.990523 0.39756   1.11507  0.425943  
1 1 1 49 45 15 o 0.936866 0.338866  1.40048      0.817474 1.32714      1.16101  1.47259      1.15122  0.877323 0.374371  0.906178 0.379057  
1 1 1 49 45 16 o 0.631785 0.29056   0.049528     0.847672 0.0239555    1.20084  0.0749265    1.19675  0.695044 0.327749  0.699992 0.329235  
1 1 1 49 45 17 o 0.636233 0.291974  0.196131     0.85085  1.00994      1.24367  -0.519936    1.16659  0.788058 0.358593  0.610662 0.297405  
1 1 1 49 46 0  o 0.570574 0.38585   -0.0569634   1.24659  -0.0569634   1.24659  -0.0569634   1.24659  0.492    0.330122  ?        ?         
1 1 1 49 46 1  o 2.33564  0.206991  5.99898      0.966911 5.39796      1.35435  6.62378      1.38087  2.08143  0.325341  2.34862  0.293974  
1 1 1 49 46 2  o 1.0472   0.356123  1.47532      0.892313 3.39584      1.27676  -0.358413    1.24758  1.53481  0.408585  0.72984  0.341796  
1 1 1 49 46 3  o 0.770559 0.327099  0.463189     0.878164 0.614492     1.22306  0.302185     1.26166  0.860206 0.375846  0.817308 0.367758  
1 1 1 49 46 4  o 0.931848 0.350623  1.1129       0.887642 1.22831      1.24659  0.9942       1.26423  0.970863 0.399287  0.926824 0.3929    
1 1 1 49 46 5  o 0.987512 0.354732  1.31851      0.894457 1.66041      1.26943  0.981388     1.26053  1.05557  0.413664  0.919223 0.391101  
1 1 1 49 46 6  o 0.820481 0.338834  0.708705     0.901694 0.70951      1.2887   0.707933     1.2621   0.870843 0.3831    0.867404 0.380369  
1 1 1 49 46 7  o 2.34902  0.210469  6.1803       0.988793 5.68818      1.40185  6.66756      1.3949   2.08958  0.335438  2.31491  0.301287  
1 1 1 49 46 8  f 1.41472  0.324152  2.63654      0.897965 3.04232      1.25522  2.21119      1.28514  1.39584  0.417531  1.16307  0.424466  
1 1 1 49 46 9  o 1.13106  0.34895   1.8052       0.867694 0.548446     1.25003  2.97383      1.2054   0.828339 0.369582  1.38835  0.407645  
1 1 1 49 46 10 o 0.693058 0.30533   0.245258     0.821087 1.89313      1.17706  -1.31664     1.14595  1.08649  0.404752  0.589306 0.288564  
1 1 1 49 46 11 o 1.6147   0.268901  3.24233      0.86839  4.1927       1.23678  2.31821      1.21958  1.67571  0.378015  1.14669  0.413985  
1 1 1 49 46 12 o 0.729302 0.318037  0.518516     0.872262 -0.00437418  1.15594  1.20998      1.32927  0.696622 0.326734  0.880608 0.388154  
1 1 1 49 46 13 o 0.643049 0.294282  0.0978185    0.857687 -0.618149    1.20283  0.8384       1.22333  0.632258 0.306205  0.804585 0.362076  
1 1 1 49 46 14 f 0.825006 0.338564  1.00786      0.894333 1.08609      1.21748  0.916165     1.31806  0.839906 0.37068   0.816565 0.370922  
1 1 1 49 46 15 o 0.550169 0.264789  -0.54412     0.857256 -0.14478     1.18589  -0.981198    1.24066  0.667553 0.318876  0.603462 0.296945  
1 1 1 49 46 16 o 0.869441 0.343993  1.39107      0.885072 1.73378      1.27834  1.07552      1.22662  0.869483 0.382035  0.775654 0.353799  
1 1 1 49 47 0  o 0.713479 0.442256  0.900947     1.2234   0.900947     1.2234   0.900947     1.2234   0.702696 0.400135  ?        ?         
1 1 1 49 47 1  o 1.8777   0.245515  4.09745      0.922006 3.97107      1.28566  4.23127      1.32297  1.65995  0.392875  1.71583  0.393663  
1 1 1 49 47 2  o 1.11442  0.357582  1.75891      0.901591 1.27043      1.26748  2.25922      1.28274  0.961681 0.399709  1.18002  0.424713  
1 1 1 49 47 3  o 1.24588  0.348583  2.14942      0.902389 2.28079      1.2666   2.014        1.28596  1.18704  0.422549  1.11861  0.421777  
1 1 1 49 47 4  o 1.83115  0.248981  3.92249      0.911842 5.51522      1.30614  2.40823      1.27356  2.08686  0.312943  1.21592  0.424604  
1 1 1 49 47 5  o 0.757604 0.327532  0.443909     0.90992  -0.276484    1.28665  1.16469      1.28699  0.729639 0.342668  0.937651 0.396902  
1 1 1 49 47 6  o 3.36693  0.155315  12.1046      1.04587  13.0171      1.51602  11.2758      1.44471  3.37828  0.224378  3.13351  0.230526  
1 1 1 49 47 7  o 0.758583 0.330541  0.44453      0.940631 0.131977     1.3686   0.724352     1.29496  0.786536 0.364608  0.856668 0.37964   
1 1 1 49 47 8  o 2.11709  0.230244  5.20963      0.974895 4.01152      1.38982  6.37019      1.36786  1.5704   0.430039  2.22459  0.307442  
1 1 1 49 47 9  o 1.04691  0.366134  1.74245      0.947261 1.52462      1.34196  1.95876      1.33731  0.950013 0.403849  1.03213  0.417375  
1 1 1 49 47 10 o 1.33629  0.33815   2.61216      0.904946 4.15724      1.27457  1.04151      1.28507  1.60268  0.398765  0.853933 0.378338  
1 1 1 49 47 11 o 1.48941  0.306283  3.05733      0.881081 4.50947      1.22611  1.50681      1.26697  1.71313  0.368427  0.916165 0.391018  
1 1 1 49 47 12 o 0.611693 0.284216  -0.0544183   0.837823 0.36812      1.17384  -0.493203    1.1962   0.730307 0.338208  0.638786 0.308668  
1 1 1 49 47 13 f 1.23219  0.350643  2.37121      0.905579 1.62045      1.29124  3.09791      1.27038  0.927985 0.395363  1.26606  0.424921  
1 1 1 49 47 14 o 0.891002 0.348163  1.36621      0.897907 2.47101      1.20785  0.00142287   1.34246  1.08299  0.408641  0.69155  0.332473  
1 1 1 49 47 15 o 0.687572 0.308566  0.597132     0.882678 -0.445834    1.24239  1.66017      1.25429  0.609284 0.298953  0.84469  0.37407   
1 1 1 49 48 0  o 0.427844 0.30865   -1.24018     1.17821  -1.24018     1.17821  -1.24018     1.17821  0.338735 0.246112  ?        ?         
1 1 1 49 48 1  o 0.597598 0.281173  -0.443606    0.874342 -1.48938     1.21854  0.666207     1.25529  0.597244 0.294014  0.844692 0.374126  
1 1 1 49 48 2  o 0.541561 0.261528  -0.841124    0.8538   -1.07569     1.21836  -0.614771    1.19684  0.630419 0.306169  0.668838 0.319694  
1 1 1 49 48 3  o 0.482178 0.23893   -1.50438     0.864544 -0.462773    1.23601  -2.50215     1.20971  0.692599 0.329074  0.526915 0.264148  
1 1 1 49 48 4  o 2.25482  0.21329   5.77501      0.96186  5.21222      1.33173  6.38876      1.39074  1.94306  0.355954  2.22571  0.312426  
1 1 1 49 48 5  o 0.820119 0.342459  0.809385     0.937127 2.66363      1.33205  -1.00775     1.31865  1.21921  0.433396  0.650873 0.316847  
1 1 1 49 48 6  f 0.650752 0.300911  -0.0508394   0.924699 -0.851399    1.32714  0.704517     1.28913  0.656397 0.319025  0.819981 0.370196  
1 1 1 49 48 7  o 1.73173  0.27423   3.81875      0.949786 4.25769      1.38464  3.42869      1.30527  1.5681   0.429161  1.38205  0.428311  
1 1 1 49 48 8  o 1.5395   0.313416  3.27518      0.931512 4.99283      1.32861  1.61451      1.30639  1.7925   0.38194   0.942307 0.399428  
1 1 1 49 48 9  o 0.53188  0.260244  -0.968856    0.927367 -0.697533    1.28823  -1.2607      1.33607  0.642788 0.312957  0.609771 0.300907  
1 1 1 49 48 10 o 1.18761  0.357798  2.27441      0.919544 2.24116      1.29113  2.30864      1.30993  1.04429  0.414749  1.05397  0.41802   
1 1 1 49 48 11 o 1.16586  0.365527  2.22443      0.946973 2.23039      1.34607  2.21859      1.33248  1.03985  0.419464  1.0405   0.418328  
1 1 1 49 48 12 o 0.655462 0.303016  0.140427     0.936952 0.624202     1.31777  -0.354193    1.33246  0.76374  0.355472  0.666197 0.322579  
1 1 1 49 48 13 o 0.543687 0.264178  -0.551873    0.909038 -0.201075    1.27731  -0.911898    1.294    0.640243 0.311702  0.58935  0.292102  
1 1 1 49 49 0  o 0.881983 0.5338    2.07637      1.69616  2.07637      1.69616  2.07637      1.69616  0.986391 0.497162  ?        ?         
1 1 1 49 49 1  o 0.415939 0.302415  -1.55642     1.26437  -1.55642     1.26437  -1.55642     1.26437  0.328747 0.241542  ?        ?         
1 1 1 49 49 2  f 1.02728  0.513331  2.29809      1.27435  2.29809      1.27435  2.29809      1.27435  1.22434  0.41272   ?        ?         
1 1 1 49 49 3  o 0.544865 0.375398  -0.0356533   1.27806  -0.0356533   1.27806  -0.0356533   1.27806  0.479973 0.326027  ?        ?         
1 1 1 49 49 4  o 0.70965  0.445704  1.07853      1.28709  1.07853      1.28709  1.07853      1.28709  0.723216 0.410928  ?        ?         
1 1 1 49 49 5  o 2.3638   0.303216  6.77066      1.38056  6.77066      1.38056  6.77066      1.38056  2.4897   0.198972  ?        ?         
1 1 1 49 49 6  o 0.685027 0.436484  0.986832     1.27963  0.986832     1.27963  0.986832     1.27963  0.69013  0.402602  ?        ?         
1 1 1 49 49 7  o 1.11316  0.539767  2.8202       1.39341  2.8202       1.39341  2.8202       1.39341  1.37131  0.412855  ?        ?         
1 1 1 49 49 8  f 0.979627 0.51103   2.2397       1.2936   2.2397       1.2936   2.2397       1.2936   1.17076  0.425975  ?        ?         
1 1 1 49 49 9  o 0.530289 0.368778  -0.165227    1.31896  -0.165227    1.31896  -0.165227    1.31896  0.462116 0.319144  ?        ?         
1 1 1 49 49 10 o 0.543107 0.37609   0.0370712    1.30927  0.0370712    1.30927  0.0370712    1.30927  0.485082 0.329677  ?        ?         
1 1 1 49 49 11 o 0.56887  0.391446  0.355088     1.38261  0.355088     1.38261  0.355088     1.38261  0.528845 0.352917  ?        ?         
1 1 1 50 0  0  o 5.64303  0.151186  31.9344      1.70352  31.9344      1.70352  31.9344      1.70352  5.64704  0.106741  ?        ?         
1 1 1 50 0  1  o 11.1361  0.128381  124.124      2.85846  124.124      2.85846  124.124      2.85846  11.1386  0.0907449 ?        ?         
1 1 1 50 0  2  f 2.13842  0.177172  4.67063      0.745771 4.67063      0.745771 4.67063      0.745771 2.15007  0.123567  ?        ?         
1 1 1 50 0  3  o 3.52266  0.12735   12.464       0.894561 12.464       0.894561 12.464       0.894561 3.52657  0.0898152 ?        ?         
1 1 1 50 0  4  o 2.05205  0.208921  4.34611      0.837063 4.34611      0.837063 4.34611      0.837063 2.069    0.144662  ?        ?         
1 1 1 50 0  5  o 3.12449  0.149602  9.83667      0.929972 9.83667      0.929972 9.83667      0.929972 3.13046  0.105301  ?        ?         
1 1 1 50 0  6  o 1.47691  0.32478   2.47839      0.838494 2.47839      0.838494 2.47839      0.838494 1.53508  0.200804  ?        ?         
1 1 1 50 0  7  o 5.62602  0.104125  31.6975      1.17071  31.6975      1.17071  31.6975      1.17071  5.62803  0.0735724 ?        ?         
1 1 1 50 0  8  o 2.12853  0.192653  4.64756      0.804685 4.64756      0.804685 4.64756      0.804685 2.14257  0.133985  ?        ?         
1 1 1 50 0  9  o 1.48766  0.299122  2.47073      0.788634 2.47073      0.788634 2.47073      0.788634 1.53728  0.187696  ?        ?         
1 1 1 50 0  10 o 5.05072  0.111683  25.5632      1.12692  25.5632      1.12692  25.5632      1.12692  5.05337  0.0788867 ?        ?         
1 1 1 50 0  11 o 3.84083  0.129691  14.8156      0.993671 14.8156      0.993671 14.8156      0.993671 3.84499  0.0914867 ?        ?         
1 1 1 50 0  12 o 3.88126  0.117924  15.1178      0.913472 15.1178      0.913472 15.1178      0.913472 3.88472  0.0832225 ?        ?         
1 1 1 50 0  13 o 1.67917  0.244907  3.00336      0.770821 3.00336      0.770821 3.00336      0.770821 1.70875  0.162889  ?        ?         
1 1 1 50 0  14 o 3.39197  0.136046  11.5756      0.919555 11.5756      0.919555 11.5756      0.919555 3.39716  0.0958738 ?        ?         
1 1 1 50 0  15 o 4.32502  0.114873  18.7638      0.992069 18.7638      0.992069 18.7638      0.992069 4.32837  0.0810992 ?        ?         
1 1 1 50 0  16 o 2.45911  0.175818  6.15472      0.854555 6.15472      0.854555 6.15472      0.854555 2.47017  0.123008  ?        ?         
1 1 1 50 0  17 o 1.6949   0.242426  3.05838      0.773089 3.05838      0.773089 3.05838      0.773089 1.72442  0.161777  ?        ?         
1 1 1 50 0  18 o 3.96209  0.127502  15.7727      1.00798  15.7727      1.00798  15.7727      1.00798  3.96681  0.0899435 ?        ?         
1 1 1 50 0  19 o 6.10987  0.122667  37.438       1.49759  37.438       1.49759  37.438       1.49759  6.11428  0.0866361 ?        ?         
1 1 1 50 0  20 o 2.34581  0.195966  5.6432       0.904637 5.6432       0.904637 5.6432       0.904637 2.36105  0.136508  ?        ?         
1 1 1 50 0  21 o 0.788042 0.423022  0.923787     0.906366 0.923787     0.906366 0.923787     0.906366 0.787295 0.367606  ?        ?         
1 1 1 50 0  22 o 3.74007  0.148285  14.1023      1.10524  14.1023      1.10524  14.1023      1.10524  3.74769  0.10445   ?        ?         
1 1 1 50 0  23 o 0.61828  0.388355  0.27296      0.97747  0.27296      0.97747  0.27296      0.97747  0.543395 0.334583  ?        ?         
1 1 1 50 0  24 o 0.604025 0.392753  0.0368178    1.10419  0.0368178    1.10419  0.0368178    1.10419  0.512549 0.332122  ?        ?         
1 1 1 50 0  25 o 2.44881  0.234886  6.22427      1.12607  6.22427      1.12607  6.22427      1.12607  2.47247  0.162638  ?        ?         
1 1 1 50 0  26 o 1.85167  0.319131  3.79192      1.07649  3.79192      1.07649  3.79192      1.07649  1.90557  0.205164  ?        ?         
1 1 1 50 0  27 o 1.93126  0.316289  4.1063       1.12279  4.1063       1.12279  4.1063       1.12279  1.98425  0.205076  ?        ?         
1 1 1 50 0  28 o 0.631438 0.404452  0.215642     1.11133  0.215642     1.11133  0.215642     1.11133  0.550475 0.346728  ?        ?         
1 1 1 50 0  29 o 4.51301  0.1551    20.6087      1.39619  20.6087      1.39619  20.6087      1.39619  4.52641  0.109199  ?        ?         
1 1 1 50 0  30 o 1.76541  0.389983  3.67337      1.2027   3.67337      1.2027   3.67337      1.2027   1.85401  0.238167  ?        ?         
1 1 1 50 0  31 o 1.36746  0.471799  2.5823       1.15999  2.5823       1.15999  2.5823       1.15999  1.49666  0.310763  ?        ?         
1 1 1 50 0  32 o 0.70903  0.436154  0.611771     1.17233  0.611771     1.17233  0.611771     1.17233  0.656613 0.384329  ?        ?         
1 1 1 50 0  33 o 0.903742 0.48035   1.39188      1.15963  1.39188      1.15963  1.39188      1.15963  0.946407 0.416544  ?        ?         
1 1 1 50 0  34 o 1.4504   0.471441  2.93881      1.20569  2.93881      1.20569  2.93881      1.20569  1.59967  0.297007  ?        ?         
1 1 1 50 0  35 o 0.877534 0.485867  1.41652      1.23064  1.41652      1.23064  1.41652      1.23064  0.921522 0.428452  ?        ?         
1 1 1 50 0  36 o 0.431118 0.311314  -1.43765     1.21381  -1.43765     1.21381  -1.43765     1.21381  0.336004 0.245339  ?        ?         
1 1 1 50 0  37 o 0.821415 0.499944  1.41897      1.50659  1.41897      1.50659  1.41897      1.50659  0.849427 0.457849  ?        ?         
1 1 1 50 0  38 o 0.486188 0.350559  -1.17878     1.50976  -1.17878     1.50976  -1.17878     1.50976  0.399015 0.288647  ?        ?         
1 1 1 50 0  39 o 0.544492 0.391062  -0.832236    1.81294  -0.832236    1.81294  -0.832236    1.81294  0.465292 0.332971  ?        ?         
1 1 1 50 1  0  o 8.56507  0.109656  73.4249      1.87772  73.4249      1.87772  73.4249      1.87772  8.56694  0.0775069 ?        ?         
1 1 1 50 1  1  o 7.24603  0.071971  52.5226      1.04301  53.6247      1.53224  51.571       1.4238   7.32025  0.104658  7.17897  0.0991643 
1 1 1 50 1  2  o 4.43362  0.0745834 19.6642      0.66135  20.0646      0.942153 19.2753      0.928574 4.4777   0.105205  4.38873  0.105791  
1 1 1 50 1  3  o 7.66145  0.0749779 58.72        1.14888  58.7032      1.6508   58.7358      1.59992  7.65877  0.107772  7.66108  0.104418  
1 1 1 50 1  4  o 10.022   0.086017  100.491      1.72412  100.439      2.3859   100.548      2.49425  10.017   0.119093  10.0219  0.12444   
1 1 1 50 1  5  o 11.844   0.0938788 140.369      2.2238   141.224      3.17403  139.545      3.1166   11.876   0.133632  11.8054  0.131999  
1 1 1 50 1  6  o 11.2768  0.0891356 127.244      2.01034  126.174      2.9808   128.136      2.72278  11.2251  0.132773  11.3134  0.120334  
1 1 1 50 1  7  o 3.63553  0.0851845 13.2249      0.619382 12.7558      0.848327 13.7605      0.906435 3.56946  0.118831  3.70724  0.122252  
1 1 1 50 1  8  o 13.1129  0.0975802 172.094      2.55912  176.365      3.69472  168.155      3.54803  13.2688  0.139225  12.9567  0.136919  
1 1 1 50 1  9  o 5.78089  0.0692621 33.4345      0.800792 33.1204      1.15858  33.7218      1.10809  5.75217  0.100708  5.80445  0.0954514 
1 1 1 50 1  10 o 3.11591  0.0988084 9.71897      0.615757 8.33672      0.925822 10.8154      0.824571 2.88342  0.160542  3.28595  0.125469  
1 1 1 50 1  11 o 3.7732   0.0839272 14.2482      0.633348 14.0521      0.930786 14.4173      0.864285 3.74537  0.124258  3.79426  0.113894  
1 1 1 50 1  12 o 4.28142  0.0810291 18.3451      0.693839 17.9809      0.995686 18.6889      0.967399 4.23684  0.117503  4.31978  0.111973  
1 1 1 50 1  13 o 5.59675  0.0842642 31.3536      0.943212 33.8037      1.34886  29.0092      1.31944  5.80882  0.116104  5.38058  0.122611  
1 1 1 50 1  14 o 4.45991  0.0806812 19.9096      0.719662 18.3623      0.996553 21.5959      1.04037  4.2809   0.116395  4.64289  0.112039  
1 1 1 50 1  15 o 2.26428  0.125644  5.13978      0.568986 5.5859       0.795857 4.67335      0.813777 2.35809  0.16875   2.15566  0.188753  
1 1 1 50 1  16 o 3.45583  0.0939217 11.9614      0.649155 11.7296      0.932498 12.1794      0.904242 3.4192   0.136362  3.48468  0.129745  
1 1 1 50 1  17 o 2.56269  0.114229  6.58414      0.585466 6.69735      0.84729  6.48069      0.809923 2.58114  0.164131  2.53942  0.15947   
1 1 1 50 1  18 o 9.58779  0.0913796 92.0868      1.75226  94.011       2.43715  90.0277      2.52112  9.67996  0.125886  9.47083  0.133099  
1 1 1 50 1  19 o 5.51802  0.0796909 30.4938      0.879472 28.7102      1.20853  32.5016      1.28226  5.35023  0.112942  5.69259  0.112625  
1 1 1 50 1  20 o 4.48535  0.0889822 20.1613      0.798234 21.0138      1.15953  19.3935      1.10053  4.57426  0.126745  4.3946   0.125213  
1 1 1 50 1  21 o 4.69592  0.0889613 22.1035      0.83551  21.8802      1.19205  22.3192      1.1714   4.6664   0.127727  4.71359  0.124258  
1 1 1 50 1  22 o 1.87623  0.175316  3.55587      0.657864 3.02129      0.933322 4.08371      0.927428 1.71715  0.271764  2.00299  0.231511  
1 1 1 50 1  23 o 3.06926  0.126314  9.47438      0.775382 10.5635      1.07874  8.31021      1.11528  3.23391  0.166787  2.86314  0.194765  
1 1 1 50 1  24 o 3.85572  0.113658  14.9409      0.876464 15.4187      1.21894  14.4293      1.26116  3.9083   0.155942  3.77825  0.166897  
1 1 1 50 1  25 o 2.91299  0.137992  8.55382      0.803942 9.41136      1.13839  7.70064      1.1355   3.04521  0.186916  2.75014  0.206444  
1 1 1 50 1  26 o 4.1986   0.110618  17.7374      0.928881 16.4282      1.31119  19.0565      1.3161   4.02625  0.16283   4.34021  0.151617  
1 1 1 50 1  27 f 2.15382  0.183187  4.72853      0.789105 4.4715       1.08243  5.02008      1.15282  2.07421  0.260925  2.19732  0.262324  
1 1 1 50 1  28 o 1.25921  0.321142  1.7503       0.811454 1.69351      1.16073  1.80458      1.13485  1.24255  0.406168  1.2734   0.400327  
1 1 1 50 1  29 o 1.66045  0.242004  2.8752       0.803671 3.36719      1.1331   2.37715      1.14005  1.74063  0.337534  1.4388   0.387486  
1 1 1 50 1  30 o 2.69939  0.165415  7.43971      0.893035 7.53338      1.2465   7.34093      1.28006  2.68977  0.231711  2.65068  0.241458  
1 1 1 50 1  31 o 0.812187 0.32522   0.450374     0.800744 -0.120159    1.14939  0.988413     1.11618  0.808918 0.358176  1.02541  0.391088  
1 1 1 50 1  32 o 1.74261  0.240496  3.2303       0.838183 3.47219      1.18313  2.98657      1.18762  1.72457  0.355176  1.5797   0.379976  
1 1 1 50 1  33 o 1.18446  0.336561  1.65695      0.834904 2.85767      1.19208  0.500882     1.1697   1.52309  0.389716  0.902473 0.380017  
1 1 1 50 1  34 o 1.97351  0.212187  4.16257      0.837506 3.73399      1.18362  4.59229      1.1852   1.75817  0.349009  2.01412  0.294225  
1 1 1 50 1  35 o 1.11589  0.345217  1.57457      0.848444 1.28979      1.19482  1.86423      1.20501  1.02907  0.401722  1.17107  0.412621  
1 1 1 50 1  36 o 1.1856   0.357216  1.89603      0.916533 1.92486      1.28733  1.8664       1.3052   1.13772  0.423397  1.1223   0.424403  
1 1 1 50 1  37 o 0.739886 0.331674  0.228629     1.01733  0.542052     1.39599  -0.126347    1.48565  0.849073 0.384179  0.782852 0.367805  
1 1 1 50 1  38 f 0.789289 0.355302  0.675175     1.1789   -0.740862    1.56918  2.51013      1.78627  0.69652  0.34027   1.03831  0.453934  
1 1 1 50 1  39 o 0.748312 0.350048  0.439926     1.29832  2.18643      2.04352  -0.742243    1.68126  0.932496 0.436836  0.69315  0.341388  
1 1 1 50 2  0  o 6.25462  0.0974329 39.1617      1.21815  39.1617      1.21815  39.1617      1.21815  6.25627  0.0688585 ?        ?         
1 1 1 50 2  1  o 8.3288   0.0736287 69.3952      1.22648  71.6464      1.77175  67.3239      1.69951  8.46114  0.104699  8.202    0.103603  
1 1 1 50 2  2  o 4.75849  0.0742768 22.652       0.70689  22.9582      0.992156 22.3364      1.00741  4.78963  0.103573  4.72422  0.106622  
1 1 1 50 2  3  o 7.61944  0.0734685 58.0786      1.11958  59.4932      1.64199  56.8495      1.53052  7.70999  0.106485  7.53702  0.101534  
1 1 1 50 2  4  o 2.0868   0.131216  4.36032      0.547644 3.94736      0.835898 4.67088      0.724883 1.98347  0.210716  2.15892  0.167881  
1 1 1 50 2  5  o 8.73841  0.074543  76.3928      1.30277  75.6122      1.80153  77.2485      1.88619  8.69185  0.103633  8.78513  0.107351  
1 1 1 50 2  6  o 7.92916  0.0734229 62.8995      1.16436  63.2939      1.65864  62.5164      1.63493  7.95214  0.104289  7.90321  0.103434  
1 1 1 50 2  7  o 2.82329  0.095495  7.97744      0.53922  7.87492      0.767912 8.07715      0.757342 2.80388  0.136937  2.83978  0.133345  
1 1 1 50 2  8  o 3.83749  0.0779098 14.7351      0.597957 14.5557      0.836809 14.9223      0.854753 3.81295  0.109732  3.86064  0.110701  
1 1 1 50 2  9  o 7.08643  0.0708336 50.2441      1.00391  50.3984      1.39177  50.0766      1.44949  7.09562  0.0980727 7.0726   0.102472  
1 1 1 50 2  10 o 2.10922  0.124143  4.45639      0.52369  4.40951      0.741798 4.50298      0.739427 2.09626  0.176934  2.11846  0.17452   
1 1 1 50 2  11 o 5.23156  0.0740732 27.387       0.775037 27.6109      1.10604  27.1709      1.08636  5.25116  0.105314  5.20922  0.104273  
1 1 1 50 2  12 o 2.72806  0.107145  7.45342      0.584597 7.38104      0.862943 7.51481      0.794752 2.71235  0.159076  2.73757  0.145156  
1 1 1 50 2  13 o 12.0496  0.107677  145.429      2.59493  146.298      3.64732  144.539      3.69267  12.0759  0.151017  12.0024  0.153831  
1 1 1 50 2  14 o 1.95053  0.14646   3.81693      0.571352 3.86105      0.793465 3.76943      0.823393 1.95881  0.202537  1.93481  0.212784  
1 1 1 50 2  15 o 0.730362 0.271849  0.41386      0.530747 0.829292     0.771068 0.0398064    0.731661 0.950871 0.330544  0.707328 0.299327  
1 1 1 50 2  16 o 3.88388  0.0892014 15.1068      0.692894 15.6279      0.964917 14.552       0.995605 3.94773  0.122212  3.80866  0.130703  
1 1 1 50 2  17 o 4.00892  0.0861702 16.0956      0.690899 15.1092      0.974933 17.0908      0.97924  3.88088  0.125607  4.12825  0.118602  
1 1 1 50 2  18 f 8.26944  0.0828386 68.4865      1.37006  68.1883      1.93054  68.789       1.94464  8.24531  0.117069  8.28148  0.117409  
1 1 1 50 2  19 o 2.39174  0.130531  5.74455      0.624393 6.52954      0.874688 4.92891      0.891606 2.54603  0.171775  2.20903  0.201809  
1 1 1 50 2  20 o 1.4461   0.21803   2.11919      0.630586 2.7411       0.873241 1.4415       0.91156  1.63948  0.266317  1.17421  0.35674   
1 1 1 50 2  21 o 3.96688  0.0973786 15.7821      0.772578 16.2061      1.11058  15.3845      1.07545  4.01382  0.138344  3.9109   0.137494  
1 1 1 50 2  22 o 3.73102  0.103545  13.9723      0.772659 13.6083      1.10577  14.3195      1.08009  3.67442  0.150469  3.77061  0.143225  
1 1 1 50 2  23 o 5.37353  0.0981492 28.9743      1.05482  27.9775      1.45638  30.0741      1.5298   5.27124  0.138144  5.46469  0.139971  
1 1 1 50 2  24 o 1.00581  0.316842  1.04763      0.710401 0.724765     0.997347 1.38014      1.01213  0.966106 0.36933   1.15642  0.37928   
1 1 1 50 2  25 o 1.97101  0.193312  3.95259      0.762038 4.68497      1.08314  3.23477      1.07232  2.1327   0.253935  1.733    0.321438  
1 1 1 50 2  26 o 2.62803  0.153741  6.99193      0.808073 7.52831      1.15695  6.48104      1.12913  2.71162  0.213333  2.51275  0.22468   
1 1 1 50 2  27 o 3.93039  0.119191  15.5769      0.936935 15.974       1.30356  15.1524      1.34758  3.96538  0.164368  3.85817  0.17464   
1 1 1 50 2  28 o 1.31712  0.303825  1.90454      0.784597 1.95676      1.12073  1.85434      1.09878  1.31771  0.394603  1.28581  0.391868  
1 1 1 50 2  29 o 3.16264  0.138792  10.1465      0.877894 10.8679      1.28198  9.50943      1.20468  3.24978  0.197241  3.03949  0.198171  
1 1 1 50 2  30 o 2.38503  0.177565  5.83104      0.846995 5.0338       1.17295  6.6997       1.22437  2.18179  0.268805  2.53013  0.241957  
1 1 1 50 2  31 o 2.26444  0.190304  5.29755      0.861864 3.5529       1.20525  7.1233       1.23294  1.76314  0.354256  2.60293  0.236837  
1 1 1 50 2  32 o 1.53223  0.28323   2.62537      0.835292 3.27657      1.17728  1.96524      1.18533  1.66286  0.363981  1.26901  0.410289  
1 1 1 50 2  33 o 0.571872 0.269658  -0.736926    0.812744 -0.993385    1.15659  -0.486756    1.14233  0.673683 0.319253  0.73095  0.33664   
1 1 1 50 2  34 o 0.685452 0.303717  -0.0287142   0.828375 0.267196     1.16807  -0.328122    1.17496  0.838101 0.366734  0.749122 0.343498  
1 1 1 50 2  35 o 0.608485 0.283655  -0.464668    0.843276 0.84876      1.18389  -1.81732     1.20144  0.930569 0.386511  0.593653 0.292149  
1 1 1 50 2  36 o 0.956846 0.353452  1.19491      0.893816 0.934079     1.26752  1.45289      1.2606   0.918149 0.39146   1.01945  0.408121  
1 1 1 50 2  37 o 0.905981 0.365285  1.08849      1.0201   1.15703      1.42778  1.01704      1.45796  0.935884 0.407519  0.916558 0.404928  
1 1 1 50 2  38 o 0.590421 0.290795  -1.20452     1.21861  -0.853387    1.69294  -1.5821      1.75551  0.699364 0.344477  0.666199 0.331698  
1 1 1 50 2  39 o 0.946395 0.399152  1.90581      1.29389  1.2419       2.00813  2.37708      1.6919   0.830137 0.400925  0.957108 0.428422  
1 1 1 50 3  0  o 5.78769  0.10185   33.5415      1.17813  33.5415      1.17813  33.5415      1.17813  5.78959  0.07197   ?        ?         
1 1 1 50 3  1  o 8.12365  0.0743914 66.0213      1.20866  65.6831      1.67934  66.3847      1.74093  8.1012   0.103648  8.14413  0.106883  
1 1 1 50 3  2  o 6.74163  0.0725327 45.4679      0.977977 44.6422      1.39264  46.2712      1.37369  6.67868  0.10426   6.79961  0.101012  
1 1 1 50 3  3  o 9.03272  0.0760809 81.627       1.37443  82.8488      2.00031  80.5342      1.89172  9.09778  0.109934  8.97014  0.105445  
1 1 1 50 3  4  o 6.35735  0.0689527 40.4315      0.876713 40.5605      1.28903  40.3205      1.19591  6.36604  0.101243  6.34753  0.0942031 
1 1 1 50 3  5  o 5.35799  0.0678531 28.7194      0.727112 28.9952      1.05052  28.4658      1.00742  5.38251  0.0975864 5.33328  0.0944464 
1 1 1 50 3  6  o 6.1455   0.0691869 37.7837      0.850376 38.7669      1.2504   36.9376      1.15992  6.22343  0.100459  6.0751   0.0954652 
1 1 1 50 3  7  o 7.74281  0.0728532 59.9827      1.12818  60.3918      1.61229  59.5902      1.57919  7.76709  0.10379   7.71549  0.102339  
1 1 1 50 3  8  o 5.32392  0.0698949 28.3587      0.744229 29.0375      1.05415  27.684       1.05085  5.38595  0.0978614 5.25882  0.0999133 
1 1 1 50 3  9  o 7.00841  0.0731905 49.1468      1.0259   48.0617      1.43328  50.2867      1.46906  6.92859  0.103432  7.08713  0.103643  
1 1 1 50 3  10 o 2.47092  0.107709  6.11365      0.53228  5.7816       0.763895 6.42701      0.742094 2.40095  0.159082  2.53199  0.146544  
1 1 1 50 3  11 o 5.98724  0.0765846 35.8736      0.91706  35.6723      1.34194  36.05        1.25615  5.96785  0.112431  6        0.104679  
1 1 1 50 3  12 o 3.517    0.0896247 12.383       0.630421 12.1237      0.894761 12.6387      0.888373 3.47793  0.128634  3.55125  0.125079  
1 1 1 50 3  13 f 6.47679  0.0764363 41.9849      0.990124 42.0974      1.39451  41.8706      1.40606  6.48268  0.107556  6.46507  0.108743  
1 1 1 50 3  14 o 4.92276  0.0803463 24.2587      0.791052 25.055       1.14449  23.5304      1.09461  5.00019  0.114444  4.8458   0.112945  
1 1 1 50 3  15 f 2.86798  0.103694  8.24105      0.594782 8.13744      0.845886 8.34238      0.83649  2.847    0.148557  2.88289  0.145078  
1 1 1 50 3  16 o 5.03873  0.0789377 25.4198      0.795492 24.8602      1.06883  26.1146      1.19107  4.9804   0.107303  5.10346  0.116692  
1 1 1 50 3  17 o 2.87024  0.110148  8.25919      0.632302 8.22324      0.916193 8.29188      0.873738 2.86001  0.160173  2.87267  0.152078  
1 1 1 50 3  18 o 7.86933  0.0828311 62.0246      1.30365  62.4245      1.87588  61.651       1.813    7.88807  0.118906  7.83973  0.115629  
1 1 1 50 3  19 o 1.84427  0.166682  3.42624      0.614814 3.82315      0.870239 3.0307       0.868719 1.94256  0.223992  1.72664  0.251564  
1 1 1 50 3  20 o 1.63563  0.191495  2.70394      0.626429 2.33941      0.870574 3.09533      0.902075 1.4842   0.303759  1.7425   0.258845  
1 1 1 50 3  21 o 1.09621  0.280669  1.27864      0.618004 0.813275     0.887141 1.7174       0.861408 0.966875 0.352685  1.2649   0.335095  
1 1 1 50 3  22 f 2.06096  0.172614  4.29327      0.711502 4.03516      0.972488 4.59057      1.04372  1.98729  0.244676  2.11937  0.246233  
1 1 1 50 3  23 o 2.92647  0.131991  8.61965      0.772534 7.3288       1.06813  10.0356      1.11868  2.6874   0.198729  3.14937  0.177604  
1 1 1 50 3  24 o 1.24566  0.286053  1.66302      0.698026 1.79827      0.967378 1.51612      1.0082   1.28754  0.361137  1.19738  0.377508  
1 1 1 50 3  25 o 2.25167  0.171853  5.14473      0.773913 5.46456      1.13799  4.86952      1.05561  2.30304  0.247061  2.17517  0.242649  
1 1 1 50 3  26 o 0.92766  0.321578  0.842242     0.729373 2.03439      1.01281  -0.442076    1.05124  1.3531   0.365591  0.737594 0.33358   
1 1 1 50 3  27 o 1.92789  0.213459  3.81891      0.823054 3.71349      1.14006  3.93366      1.18946  1.87526  0.303973  1.92856  0.30838   
1 1 1 50 3  28 o 2.76591  0.152368  7.77061      0.842871 9.35908      1.19544  6.20031      1.18859  3.0194   0.19796   2.44148  0.243416  
1 1 1 50 3  29 o 4.40372  0.113948  19.5831      1.00359  20.4118      1.48086  18.8791      1.36481  4.47181  0.165577  4.30428  0.158541  
1 1 1 50 3  30 o 0.812989 0.326163  0.440577     0.807581 0.628531     1.13631  0.248747     1.14796  0.94858  0.384262  0.874937 0.372773  
1 1 1 50 3  31 o 1.35824  0.314176  2.09209      0.837137 2.15678      1.16588  2.02323      1.20276  1.34425  0.402458  1.30274  0.412507  
1 1 1 50 3  32 o 3.02857  0.149699  9.42047      0.90675  8.62817      1.28176  10.2142      1.28292  2.8521   0.224704  3.11763  0.205753  
1 1 1 50 3  33 o 1.29158  0.324702  1.97417      0.838507 2.14943      1.18132  1.7962       1.19039  1.30072  0.408347  1.20052  0.411326  
1 1 1 50 3  34 o 0.781784 0.323336  0.440204     0.823018 0.168751     1.16198  0.713482     1.16588  0.814608 0.360485  0.913422 0.381734  
1 1 1 50 3  35 o 0.772133 0.323191  0.427975     0.837711 0.961369     1.18406  -0.106577    1.18534  0.949409 0.389581  0.766192 0.349029  
1 1 1 50 3  36 o 0.547774 0.266507  -1.1087      0.930345 -1.78781     1.31176  -0.421366    1.31968  0.609112 0.3       0.729892 0.344007  
1 1 1 50 3  37 o 0.62392  0.296169  -0.515149    0.999132 1.39457      1.44677  -2.25634     1.38146  0.964014 0.414836  0.58576  0.292009  
1 1 1 50 3  38 o 0.752905 0.346638  0.51376      1.21005  0.832724     1.67971  0.169639     1.74469  0.81843  0.386429  0.766116 0.37064   
1 1 1 50 3  39 o 0.566781 0.281284  -1.09001     1.21224  -0.178589    1.65892  -2.13436     1.77577  0.684067 0.337024  0.599378 0.30302   
1 1 1 50 4  0  o 2.13284  0.188596  4.66124      0.790023 4.66124      0.790023 4.66124      0.790023 2.14628  0.131264  ?        ?         
1 1 1 50 4  1  o 14.8494  0.112791  220.737      3.34975  221.884      4.93096  219.754      4.56474  14.8788  0.165704  14.8095  0.154115  
1 1 1 50 4  2  o 4.16566  0.0774053 17.3615      0.644888 16.2149      0.939019 18.385       0.887205 4.02446  0.116664  4.28584  0.103504  
1 1 1 50 4  3  o 4.28183  0.0711361 18.3421      0.609185 18.8009      0.873267 17.9072      0.850231 4.33409  0.100744  4.22983  0.100504  
1 1 1 50 4  4  o 5.54731  0.0685373 30.7856      0.760394 30.9001      1.09396  30.6786      1.05767  5.55636  0.0984426 5.53655  0.0955174 
1 1 1 50 4  5  o 3.62365  0.0776084 13.1383      0.562451 12.6025      0.788158 13.6944      0.802898 3.54792  0.111073  3.69853  0.108543  
1 1 1 50 4  6  o 5.46931  0.0691887 29.928       0.756828 30.7418      1.12495  29.2551      1.02294  5.54163  0.1015    5.40635  0.0946055 
1 1 1 50 4  7  o 3.22473  0.0852623 10.4069      0.549895 10.6406      0.804124 10.2015      0.753665 3.25939  0.123355  3.19164  0.118069  
1 1 1 50 4  8  o 5.81035  0.070535  33.7787      0.819667 34.5097      1.18134  33.1001      1.13823  5.87122  0.100604  5.75017  0.0989736 
1 1 1 50 4  9  o 2.37856  0.110423  5.66552      0.525297 5.54098      0.741305 5.79112      0.744469 2.35054  0.157688  2.40313  0.154896  
1 1 1 50 4  10 f 1.7504   0.14392   3.07179      0.503833 2.24033      0.690598 4.01794      0.736687 1.49179  0.231467  2.00025  0.184149  
1 1 1 50 4  11 o 5.29005  0.0751135 28.0062      0.794709 27.0313      1.08348  29.1413      1.16918  5.19532  0.104275  5.39396  0.108379  
1 1 1 50 4  12 o 4.53151  0.0780379 20.5527      0.70726  21.0992      0.985451 19.972       1.01567  4.58955  0.107358  4.46481  0.113741  
1 1 1 50 4  13 o 4.25269  0.0784111 18.1027      0.666916 18.5337      0.937324 17.6607      0.94911  4.30107  0.108964  4.19826  0.113036  
1 1 1 50 4  14 o 5.66115  0.0794083 32.0832      0.899084 30.8852      1.24385  33.394       1.30108  5.55144  0.112029  5.77244  0.112697  
1 1 1 50 4  15 o 1.2518   0.23859   1.63489      0.575876 1.56547      0.857664 1.69188      0.777106 1.21971  0.339371  1.26448  0.309392  
1 1 1 50 4  16 o 6.01717  0.0768333 36.2498      0.924639 36.9713      1.28739  35.481       1.32887  6.07351  0.105984  5.9491   0.111687  
1 1 1 50 4  17 o 0.720901 0.275431  0.366274     0.554417 -0.898731    0.771803 1.71499      0.796929 0.553669 0.26163   1.27109  0.31474   
1 1 1 50 4  18 o 1.72021  0.174612  2.98125      0.600738 3.10307      0.85782  2.86399      0.841557 1.74872  0.245271  1.67947  0.250542  
1 1 1 50 4  19 o 1.11204  0.280086  1.31247      0.623037 0.419449     0.885813 2.18676      0.876476 0.860198 0.342936  1.4324   0.314504  
1 1 1 50 4  20 o 2.24236  0.14172   5.05884      0.635573 4.74101      0.876784 5.41078      0.92264  2.16395  0.202589  2.31218  0.199517  
1 1 1 50 4  21 o 0.829351 0.300089  0.597441     0.64114  1.40083      0.918541 -0.165849    0.895323 1.15674  0.359465  0.730391 0.320327  
1 1 1 50 4  22 o 2.76461  0.138936  7.69597      0.768209 8.08847      1.09082  7.30976      1.08205  2.82504  0.193063  2.684    0.201575  
1 1 1 50 4  23 o 4.7763   0.0945412 22.8928      0.903114 21.8877      1.22831  24.0754      1.33242  4.66263  0.131719  4.88894  0.136269  
1 1 1 50 4  24 f 2.87396  0.135051  8.32396      0.776259 8.32069      1.1104   8.32709      1.08561  2.86148  0.194026  2.86363  0.189551  
1 1 1 50 4  25 o 1.40735  0.264203  2.11082      0.716251 2.21899      1.00048  1.9971       1.02586  1.4185   0.353516  1.34468  0.370011  
1 1 1 50 4  26 o 1.99141  0.196211  4.05335      0.781474 4.44536      1.09403  3.64495      1.11666  2.06712  0.264627  1.86155  0.299926  
1 1 1 50 4  27 o 0.924129 0.336552  0.788772     0.807549 0.591316     1.12049  1.00219      1.1649   0.952079 0.383265  1.0587   0.400771  
1 1 1 50 4  28 o 1.68694  0.243045  2.96627      0.820007 4.57061      1.11269  1.0592       1.21314  2.08549  0.26677   1.07409  0.408284  
1 1 1 50 4  29 o 1.77023  0.238483  3.26983      0.844339 3.74148      1.2216   2.83842      1.16833  1.82894  0.346544  1.57379  0.375822  
1 1 1 50 4  30 o 2.53186  0.168639  6.57028      0.853942 5.14056      1.20011  8.03656      1.21535  2.19658  0.273176  2.77721  0.218808  
1 1 1 50 4  31 o 1.21184  0.332056  1.69603      0.828321 1.25974      1.13417  2.19474      1.2126   1.08346  0.398428  1.34452  0.412051  
1 1 1 50 4  32 o 0.704902 0.308382  0.0126592    0.825566 -0.0971202   1.17193  0.120804     1.16317  0.80041  0.357465  0.833704 0.365378  
1 1 1 50 4  33 o 0.686648 0.303459  -0.0322662   0.819763 0.145179     1.17008  -0.203332    1.14885  0.827644 0.364565  0.766558 0.347593  
1 1 1 50 4  34 o 1.4665   0.302151  2.56318      0.855902 2.33041      1.22214  2.78723      1.19905  1.30123  0.416202  1.44036  0.401433  
1 1 1 50 4  35 f 0.607247 0.282328  -0.403521    0.828389 -1.36354     1.17758  0.53699      1.16555  0.617785 0.300337  0.855693 0.370327  
1 1 1 50 4  36 f 1.35993  0.347218  2.52888      0.947792 2.63034      1.32792  2.42352      1.3532   1.26374  0.434309  1.20629  0.436018  
1 1 1 50 4  37 o 0.909897 0.369575  1.24571      1.05472  0.869283     1.42936  1.69566      1.56273  0.85804  0.388464  0.976432 0.42575   
1 1 1 50 4  38 o 0.998264 0.398766  1.92058      1.19987  1.76316      1.76539  2.05573      1.63575  0.916503 0.420584  0.961336 0.426269  
1 1 1 50 4  39 o 0.739323 0.343438  0.86176      1.22244  1.5848       1.69006  0.0684111    1.77033  0.800331 0.381913  0.693214 0.343114  
1 1 1 50 5  0  o 4.34264  0.10818   18.9036      0.938254 18.9036      0.938254 18.9036      0.938254 4.34524  0.0763949 ?        ?         
1 1 1 50 5  1  o 7.49394  0.0728309 56.1866      1.09158  55.0892      1.54829  57.2711      1.5392   7.4185   0.104354  7.56417  0.101743  
1 1 1 50 5  2  o 8.04453  0.0723835 64.7462      1.16458  64.3997      1.67698  65.069       1.61851  8.02085  0.104539  8.06274  0.10037   
1 1 1 50 5  3  o 6.83998  0.0688852 46.8067      0.942346 46.0649      1.34173  47.5288      1.32381  6.78392  0.0988902 6.89106  0.0960528 
1 1 1 50 5  4  o 1.90789  0.135791  3.64684      0.518149 4.39307      0.765582 3.0161       0.703851 2.09246  0.182938  1.73311  0.20306   
1 1 1 50 5  5  o 6.90413  0.0696298 47.6911      0.961466 47.6333      1.43894  47.7378      1.29229  6.8978   0.104304  6.90612  0.0935613 
1 1 1 50 5  6  o 7.22003  0.0698766 52.1561      1.00902  51.2479      1.4333   53.0485      1.42073  7.15492  0.100162  7.27974  0.0975809 
1 1 1 50 5  7  o 5.88007  0.0682228 34.5931      0.80231  34.5264      1.14829  34.6567      1.12146  5.8728   0.097763  5.88402  0.0952974 
1 1 1 50 5  8  o 5.98092  0.0687134 35.791       0.821939 35.7013      1.16243  35.8807      1.16237  5.97176  0.0973269 5.98676  0.097078  
1 1 1 50 5  9  o 3.44042  0.0799198 11.8459      0.549915 12.3979      0.78358  11.3101      0.771946 3.51835  0.111356  3.36029  0.114863  
1 1 1 50 5  10 o 5.13819  0.0728951 26.4198      0.749097 27.9786      1.09084  25.0287      1.0305   5.2857   0.103188  4.9993   0.103064  
1 1 1 50 5  11 o 2.42552  0.114917  5.89422      0.557465 6.15041      0.788852 5.63865      0.787897 2.4755   0.159332  2.3699   0.16623   
1 1 1 50 5  12 o 6.16683  0.0736838 38.061       0.90879  36.9942      1.24867  39.2626      1.32518  6.07737  0.102731  6.26061  0.105835  
1 1 1 50 5  13 o 0.772251 0.272607  0.527523     0.52619  1.02735      0.737626 0.0096229    0.750841 1.01362  0.323255  0.709053 0.301769  
1 1 1 50 5  14 o 7.84941  0.0848608 61.6938      1.33221  63.6538      1.8342   59.5054      1.93817  7.96872  0.115087  7.70286  0.125808  
1 1 1 50 5  15 o 8.29529  0.0817887 68.903       1.35692  70.2476      2.00092  67.7581      1.84634  8.36958  0.119535  8.22129  0.11229   
1 1 1 50 5  16 o 7.33941  0.082795  53.9445      1.21533  53.5079      1.63803  54.4792      1.81269  7.30533  0.112112  7.36938  0.122988  
1 1 1 50 5  17 o 2.22092  0.129408  4.95163      0.574811 5.15486      0.811071 4.74655      0.814753 2.26204  0.179279  2.16983  0.187745  
1 1 1 50 5  18 o 6.74848  0.0833184 45.6249      1.12454  46.551       1.56806  44.6443      1.61361  6.81107  0.115112  6.66892  0.120979  
1 1 1 50 5  19 o 3.15054  0.108015  9.9595       0.680612 9.62383      0.965134 10.2916      0.959949 3.0914   0.1561    3.1977   0.1501    
1 1 1 50 5  20 o 4.45442  0.0928687 19.896       0.827352 19.5375      1.19963  20.2212      1.14256  4.4071   0.136102  4.48518  0.127371  
1 1 1 50 5  21 o 2.88401  0.125552  8.36448      0.724188 9.83305      1.02983  6.92784      1.01858  3.12051  0.16501   2.61428  0.19481   
1 1 1 50 5  22 o 2.68806  0.136663  7.27451      0.734717 6.75679      1.02251  7.82711      1.05641  2.58095  0.198089  2.77942  0.190041  
1 1 1 50 5  23 o 4.61176  0.0974886 21.3489      0.899187 22.4666      1.26451  20.2056      1.2789   4.72296  0.133868  4.4768   0.142836  
1 1 1 50 5  24 o 3.07501  0.123623  9.52466      0.760282 9.83328      1.06663  9.2059       1.08399  3.11418  0.171253  3.01103  0.180003  
1 1 1 50 5  25 o 2.99833  0.132777  9.07328      0.796216 9.62296      1.09332  8.45255      1.16184  3.0766   0.177684  2.87657  0.201948  
1 1 1 50 5  26 o 2.02055  0.194794  4.17358      0.787183 4.54377      1.07493  3.74546      1.15597  2.09141  0.256988  1.88391  0.306802  
1 1 1 50 5  27 f 3.48336  0.127319  12.261       0.886997 11.8525      1.247    12.6793      1.26194  3.40581  0.183069  3.52423  0.179038  
1 1 1 50 5  28 o 0.900428 0.337964  0.718831     0.823703 0.993225     1.1503   0.430054     1.18006  1.04393  0.39735   0.926482 0.385416  
1 1 1 50 5  29 o 2.69105  0.155202  7.3771       0.835309 7.78179      1.17093  6.95774      1.19196  2.74144  0.213561  2.58492  0.230561  
1 1 1 50 5  30 o 2.23875  0.189582  5.17138      0.848851 4.66129      1.21221  5.66216      1.18904  2.0821   0.291101  2.31265  0.257074  
1 1 1 50 5  31 o 1.7998   0.233996  3.43901      0.84229  2.6268       1.16782  4.31962      1.216    1.47097  0.390388  1.9751   0.307832  
1 1 1 50 5  32 o 0.873133 0.334706  0.717494     0.820957 1.06888      1.15555  0.359382     1.16655  1.02045  0.39574   0.874145 0.37421   
1 1 1 50 5  33 f 3.08786  0.148567  9.85807      0.917509 9.22694      1.28487  10.5148      1.31062  2.93144  0.219154  3.13935  0.208741  
1 1 1 50 5  34 o 1.52943  0.293569  2.76691      0.865951 2.2362       1.20711  3.32961      1.24296  1.27323  0.414204  1.58526  0.393399  
1 1 1 50 5  35 o 1.05996  0.344817  1.47979      0.836555 1.04213      1.1822   1.91872      1.18393  0.942796 0.388475  1.14832  0.408552  
1 1 1 50 5  36 o 1.03653  0.373592  1.56658      0.992834 2.95179      1.44952  0.342414     1.36266  1.30427  0.453223  0.819243 0.373472  
1 1 1 50 5  37 o 0.817903 0.353755  0.876476     1.06233  -0.832092    1.42453  3.0171       1.59451  0.668501 0.326122  1.16672  0.461682  
1 1 1 50 5  38 o 0.894736 0.382096  1.41008      1.21106  1.20218      1.81328  1.57749      1.62719  0.858748 0.4043    0.900829 0.409979  
1 1 1 50 6  0  o 2.91096  0.145366  8.546        0.841497 8.546        0.841497 8.546        0.841497 2.91722  0.102271  ?        ?         
1 1 1 50 6  1  o 13.9327  0.101333  194.326      2.82369  194.571      4.07947  194.101      3.91236  13.9336  0.146389  13.918   0.14055   
1 1 1 50 6  2  o 2.29334  0.11394   5.26648      0.522605 5.27726      0.744781 5.25603      0.733499 2.29412  0.162324  2.28958  0.160182  
1 1 1 50 6  3  o 5.06645  0.0674352 25.6812      0.683314 25.6828      0.950389 25.6795      0.983148 5.06549  0.0938102 5.06501  0.097053  
1 1 1 50 6  4  o 5.27285  0.0685737 27.8169      0.723158 28.5512      1.04576  27.144       1.0011   5.34061  0.0979069 5.20743  0.096122  
1 1 1 50 6  5  o 7.07046  0.0712544 50.0192      1.0076   48.9118      1.48535  50.9632      1.37139  6.98938  0.106258  7.13525  0.0960997 
1 1 1 50 6  6  o 4.0259   0.0760628 16.2185      0.612443 14.7468      0.897048 17.5034      0.838195 3.83719  0.116889  4.18133  0.100231  
1 1 1 50 6  7  o 4.68676  0.0708468 21.9787      0.664084 21.6462      0.965284 22.2775      0.915043 4.64958  0.103803  4.71729  0.0969883 
1 1 1 50 6  8  o 5.40291  0.0679053 29.2082      0.733772 29.002       1.04831  29.4063      1.02743  5.38215  0.0973873 5.4197   0.0947865 
1 1 1 50 6  9  o 4.06133  0.0722085 16.506       0.586526 17.282       0.849013 15.7975      0.811222 4.15425  0.102186  3.97182  0.102122  
1 1 1 50 6  10 o 2.835    0.0928016 8.04706      0.526186 8.20167      0.738295 7.88745      0.750124 2.86046  0.129052  2.80489  0.133717  
1 1 1 50 6  11 o 2.93086  0.0955771 8.6017       0.560246 8.04568      0.774426 9.2122       0.811489 2.83248  0.136704  3.03105  0.133863  
1 1 1 50 6  12 o 3.74204  0.0834725 14.0187      0.624716 14.1335      0.870755 13.8969      0.896782 3.75533  0.115936  3.72344  0.120424  
1 1 1 50 6  13 o 4.15882  0.0814785 17.3161      0.677709 17.207       0.935299 17.4368      0.983357 4.14343  0.112865  4.17058  0.117892  
1 1 1 50 6  14 o 2.7653   0.107722  7.664        0.595767 7.78047      0.845257 7.549        0.839853 2.78318  0.151851  2.74136  0.153182  
1 1 1 50 6  15 o 3.62803  0.0889805 13.184       0.645647 12.9446      0.893852 13.4452      0.93361  3.59218  0.124416  3.66069  0.127518  
1 1 1 50 6  16 f 4.15642  0.0897761 17.3066      0.746293 18.384       1.02488  16.0906      1.08886  4.2809   0.119704  4.00316  0.136     
1 1 1 50 6  17 o 6.25027  0.0817747 39.1304      1.02223  40.439       1.42852  37.757       1.46341  6.34927  0.112495  6.13393  0.119288  
1 1 1 50 6  18 o 3.84144  0.0954808 14.7941      0.733567 13.7444      0.97142  16.187       1.119    3.69855  0.131324  4.01254  0.139438  
1 1 1 50 6  19 o 2.40916  0.134545  5.83583      0.648282 5.72652      0.920017 5.94362      0.913635 2.37964  0.19331   2.42501  0.188378  
1 1 1 50 6  20 o 7.54881  0.087172  57.1288      1.31609  57.8923      1.88426  56.4015      1.83903  7.589    0.124144  7.49108  0.122748  
1 1 1 50 6  21 o 2.35602  0.155315  5.59899      0.731853 5.78873      1.07008  5.43224      1.00315  2.38433  0.224399  2.31109  0.21703   
1 1 1 50 6  22 o 4.02738  0.103755  16.2865      0.835724 16.425       1.17831  16.1462      1.1855   4.03633  0.145964  4.00145  0.148134  
1 1 1 50 6  23 o 1.92721  0.184027  3.76491      0.709315 3.99545      0.994673 3.52637      1.01179  1.97341  0.252019  1.84979  0.273488  
1 1 1 50 6  24 o 1.57645  0.221659  2.54639      0.698869 1.701        0.95493  3.52143      1.02555  1.24778  0.361698  1.84126  0.27849   
1 1 1 50 6  25 o 2.06928  0.178217  4.35791      0.737563 3.74804      1.00429  5.07201      1.08672  1.89909  0.264414  2.21502  0.245307  
1 1 1 50 6  26 o 1.05493  0.333854  1.18791      0.787904 0.0802566    1.06183  2.54503      1.17533  0.829359 0.356093  1.50005  0.388689  
1 1 1 50 6  27 o 3.95128  0.117435  15.7583      0.928041 15.9016      1.30831  15.6132      1.31662  3.95119  0.16556   3.91404  0.168192  
1 1 1 50 6  28 o 3.24536  0.138913  10.6857      0.901644 11.0061      1.26943  10.3595      1.28088  3.27139  0.19402   3.17015  0.202022  
1 1 1 50 6  29 o 0.978015 0.342146  0.984853     0.827258 1.36733      1.11894  0.523757     1.22857  1.12848  0.397613  0.951485 0.394376  
1 1 1 50 6  30 o 1.6858   0.242937  3.00267      0.819086 3.58956      1.17665  2.4509       1.1409   1.7752   0.34368   1.4387   0.387707  
1 1 1 50 6  31 o 2.47496  0.173962  6.34436      0.861095 7.48261      1.21661  5.20173      1.21894  2.65445  0.229163  2.18256  0.279246  
1 1 1 50 6  32 o 2.90931  0.153636  8.72915      0.893948 8.04308      1.24512  9.45901      1.28425  2.74347  0.226924  2.9849   0.215125  
1 1 1 50 6  33 o 0.76352  0.320743  0.342706     0.829999 0.412738     1.16284  0.269971     1.18507  0.860572 0.371133  0.841204 0.368732  
1 1 1 50 6  34 o 0.877362 0.337235  0.834523     0.835242 0.294915     1.17761  1.38078      1.18484  0.82818  0.365155  1.04536  0.401702  
1 1 1 50 6  35 o 0.692234 0.308673  0.0872964    0.870815 -1.46849     1.21001  1.75884      1.25422  0.608374 0.297578  1.08719  0.41459   
1 1 1 50 6  36 o 0.672479 0.31163   -0.170942    0.998696 -0.427304    1.39104  0.101766     1.43471  0.731855 0.348378  0.795813 0.370597  
1 1 1 50 6  37 o 0.811023 0.356559  0.873066     1.11488  1.0026       1.55885  0.73743      1.59512  0.846898 0.39126   0.819316 0.384197  
1 1 1 50 6  38 o 0.645769 0.310444  -0.292912    1.17002  0.153126     1.66599  -0.727022    1.64357  0.744666 0.360596  0.681936 0.335852  
1 1 1 50 7  0  o 11.5312  0.134518  133.152      3.10135  133.152      3.10135  133.152      3.10135  11.5352  0.0950711 ?        ?         
1 1 1 50 7  1  o 9.16864  0.0790171 84.1208      1.44896  84.1357      2.03218  84.1055      2.06653  9.16647  0.110848  9.16462  0.112745  
1 1 1 50 7  2  o 3.07358  0.0908044 9.45536      0.558188 9.76086      0.789293 9.1497       0.789502 3.12152  0.126427  3.02204  0.130624  
1 1 1 50 7  3  o 5.54605  0.0676145 30.7742      0.749986 31.8852      1.07032  29.7025      1.05122  5.6439   0.0948212 5.4472   0.0964916 
1 1 1 50 7  4  o 1.41722  0.170551  2.01509      0.483415 2.6163       0.702742 1.47503      0.666039 1.61319  0.217811  1.18551  0.284177  
1 1 1 50 7  5  o 4.81653  0.0708615 23.2124      0.682612 23.1707      0.990483 23.2502      0.942056 4.81063  0.102947  4.81917  0.0977405 
1 1 1 50 7  6  o 6.55032  0.0712901 42.9331      0.933946 42.4517      1.3523   43.3721      1.2914   6.51124  0.103844  6.58191  0.0981021 
1 1 1 50 7  7  o 2.05764  0.120205  4.24166      0.494678 4.18538      0.71961  4.29208      0.681134 2.04178  0.176222  2.06816  0.164672  
1 1 1 50 7  8  o 8.27627  0.0729581 68.5462      1.20764  68.1581      1.7392   68.9075      1.67816  8.24957  0.105411  8.29529  0.101152  
1 1 1 50 7  9  o 6.508    0.0701974 42.3838      0.91369  43.2483      1.31916  41.5865      1.26674  6.57163  0.100368  6.44432  0.0982831 
1 1 1 50 7  10 o 1.66767  0.151895  2.7907       0.50662  2.32887      0.719759 3.24418      0.713225 1.51965  0.236817  1.79583  0.198578  
1 1 1 50 7  11 o 2.17332  0.119409  4.73411      0.519029 4.64682      0.758983 4.81079      0.711366 2.15024  0.176488  2.18868  0.16251   
1 1 1 50 7  12 o 1.00377  0.254545  1.0584       0.511967 0.607116     0.718157 1.52476      0.730051 0.862606 0.317061  1.2019   0.303469  
1 1 1 50 7  13 o 7.63155  0.0770343 58.3055      1.17578  58.3571      1.68019  58.256       1.64595  7.63048  0.110097  7.62421  0.107942  
1 1 1 50 7  14 o 6.07561  0.075775  36.9558      0.920758 36.7936      1.30157  37.1182      1.30273  6.05876  0.107412  6.08548  0.107036  
1 1 1 50 7  15 o 4.18941  0.0862673 17.5791      0.722817 17.4973      0.991347 17.6719      1.05617  4.17674  0.118675  4.19675  0.125831  
1 1 1 50 7  16 o 1.77019  0.166172  3.15394      0.58831  3.54154      0.846142 2.79122      0.818537 1.87067  0.22616   1.65885  0.246718  
1 1 1 50 7  17 o 2.10995  0.156115  4.48069      0.65879  4.1226       0.910489 4.87416      0.9544   2.01692  0.225713  2.19411  0.217492  
1 1 1 50 7  18 o 3.06103  0.107417  9.4013       0.657611 8.6634       0.913931 10.1935      0.946952 2.93311  0.155796  3.18257  0.148771  
1 1 1 50 7  19 o 5.58507  0.0842374 31.2629      0.940943 31.5578      1.29605  30.9342      1.36827  5.6057   0.115601  5.54842  0.123302  
1 1 1 50 7  20 o 5.06818  0.0921392 25.7638      0.933955 24.8709      1.3514   26.5801      1.29221  4.9707   0.135937  5.14112  0.125674  
1 1 1 50 7  21 o 4.99799  0.0937179 25.0582      0.936802 24.7941      1.27381  25.3694      1.38254  4.96464  0.128288  5.01965  0.137712  
1 1 1 50 7  22 o 2.74083  0.133168  7.56501      0.72998  6.37309      1.02202  8.80638      1.043    2.50384  0.20409   2.94927  0.176823  
1 1 1 50 7  23 o 0.78527  0.300755  0.458902     0.662372 0.268114     0.9099   0.673984     0.966096 0.823383 0.340223  0.94073  0.362462  
1 1 1 50 7  24 o 0.613103 0.274538  -0.264598    0.695325 -0.669966    0.994731 0.122716     0.972329 0.682145 0.314155  0.811007 0.344225  
1 1 1 50 7  25 o 2.37999  0.162698  5.75099      0.774442 7.24749      1.0356   3.85225      1.1665   2.66311  0.194434  1.91184  0.305073  
1 1 1 50 7  26 o 2.5972   0.159561  6.85282      0.828822 6.7395       1.14464  6.97773      1.20171  2.55586  0.223924  2.59797  0.231278  
1 1 1 50 7  27 o 3.53268  0.127829  12.6266      0.903159 13.8479      1.30994  11.5201      1.24691  3.67966  0.177997  3.35275  0.185953  
1 1 1 50 7  28 o 5.01736  0.1099    25.406       1.10282  26.395       1.53373  24.3474      1.58687  5.09366  0.150553  4.88529  0.162412  
1 1 1 50 7  29 o 1.10062  0.337444  1.35584      0.813132 1.5743       1.11998  1.11233      1.18245  1.18338  0.398976  1.068    0.403929  
1 1 1 50 7  30 o 2.47541  0.170781  6.31342      0.845502 6.13442      1.21835  6.47972      1.1743   2.39799  0.254036  2.47446  0.237285  
1 1 1 50 7  31 o 2.0688   0.207162  4.50539      0.857153 4.95512      1.19632  4.03097      1.22873  2.1254   0.281434  1.85938  0.343314  
1 1 1 50 7  32 o 0.950058 0.338638  0.997933     0.813738 1.35864      1.14106  0.624645     1.16079  1.07996  0.399272  0.915221 0.38159   
1 1 1 50 7  33 o 1.93676  0.222843  4.07613      0.863187 5.67581      1.23016  2.52458      1.21152  2.23882  0.274734  1.36636  0.410499  
1 1 1 50 7  34 o 1.01824  0.343457  1.30114      0.829969 0.281949     1.16833  2.33946      1.17925  0.819916 0.362326  1.29489  0.408282  
1 1 1 50 7  35 o 0.645952 0.296372  -0.167425    0.876159 0.113195     1.23476  -0.452009    1.24344  0.775905 0.354252  0.708214 0.333828  
1 1 1 50 7  36 o 0.905618 0.369012  1.12163      1.05489  1.32626      1.43899  0.883912     1.55098  0.951726 0.411679  0.89316  0.404493  
1 1 1 50 7  37 o 0.943826 0.383514  1.63225      1.13625  4.03428      1.68828  -0.356631    1.53625  1.28054  0.483142  0.705613 0.343037  
1 1 1 50 7  38 o 0.685228 0.324779  0.267021     1.19744  0.101815     1.63845  0.456428     1.75435  0.706724 0.345823  0.737112 0.360027  
1 1 1 50 8  0  o 4.98541  0.117619  24.9153      1.17128  24.9153      1.17128  24.9153      1.17128  4.98847  0.0830657 ?        ?         
1 1 1 50 8  1  o 12.8483  0.09806   165.259      2.5198   167.219      3.64364  163.463      3.4885   12.9166  0.141045  12.7716  0.136572  
1 1 1 50 8  2  o 3.41435  0.0818077 11.6668      0.558641 11.1882      0.808228 12.1046      0.773023 3.34204  0.120918  3.47669  0.111172  
1 1 1 50 8  3  o 4.58358  0.071753  21.0219      0.657772 22.6785      0.947804 19.4827      0.913598 4.75942  0.0995715 4.41113  0.103556  
1 1 1 50 8  4  o 8.03841  0.0716339 64.656       1.15164  65.8986      1.66924  63.5273      1.59092  8.1126   0.10288   7.96559  0.0998623 
1 1 1 50 8  5  o 5.70236  0.0688484 32.5362      0.785197 31.6255      1.13191  33.381       1.09014  5.62008  0.100702  5.7744   0.0943944 
1 1 1 50 8  6  o 8.01733  0.0752574 64.3254      1.20673  63.4333      1.71511  65.1998      1.69815  7.95844  0.107755  8.06877  0.10523   
1 1 1 50 8  7  o 1.71595  0.142907  2.95275      0.490443 2.46522      0.679824 3.48188      0.708231 1.56502  0.217193  1.86134  0.190247  
1 1 1 50 8  8  o 2.20748  0.117013  4.88251      0.516608 4.7592       0.714797 5.01736      0.747487 2.17734  0.164144  2.23546  0.167189  
1 1 1 50 8  9  o 2.78985  0.0996684 7.7948       0.556119 8.42715      0.788793 7.16984      0.784169 2.8989   0.13605   2.67331  0.146666  
1 1 1 50 8  10 o 2.72163  0.101724  7.4195       0.553713 8.84278      0.811849 6.18156      0.757145 2.96922  0.136711  2.48163  0.15255   
1 1 1 50 8  11 o 4.06078  0.0782636 16.5074      0.635623 16.2412      0.899806 16.7724      0.89801  4.02568  0.111758  4.09114  0.109751  
1 1 1 50 8  12 o 2.76599  0.101639  7.66532      0.562264 8.25363      0.793207 7.07117      0.797129 2.86783  0.138294  2.65362  0.150197  
1 1 1 50 8  13 f 2.57766  0.106966  6.65945      0.551445 6.60464      0.776456 6.71523      0.783312 2.56412  0.151408  2.5855   0.151482  
1 1 1 50 8  14 o 3.65481  0.0909763 13.3808      0.665002 12.3586      0.914129 14.5298      0.969195 3.5093   0.130244  3.80539  0.127345  
1 1 1 50 8  15 f 4.70513  0.0847523 22.1744      0.797541 21.3819      1.0625   23.1974      1.20707  4.61713  0.115061  4.80778  0.125533  
1 1 1 50 8  16 o 2.18249  0.140017  4.78686      0.611171 4.24548      0.822888 5.45291      0.91273  2.05008  0.200697  2.32388  0.19638   
1 1 1 50 8  17 o 1.81354  0.176079  3.31761      0.638651 2.39511      0.907323 4.22348      0.89911  1.50069  0.3126    2.04135  0.220225  
1 1 1 50 8  18 o 2.22591  0.143128  4.98551      0.637179 5.14177      0.863794 4.79899      0.943716 2.25502  0.191527  2.17517  0.216929  
1 1 1 50 8  19 f 1.16553  0.272711  1.44602      0.625066 0.7526       0.845267 2.28281      0.928542 0.93715  0.344024  1.45759  0.326659  
1 1 1 50 8  20 o 3.63818  0.109373  13.2933      0.795836 13.9009      1.13037  12.6961      1.12066  3.71284  0.152225  3.54717  0.157965  
1 1 1 50 8  21 o 6.2481   0.0906618 39.16        1.13293  39.3938      1.57542  38.9096      1.6304   6.25765  0.125879  6.21749  0.131114  
1 1 1 50 8  22 o 0.668957 0.284853  0.0299441    0.669649 0.621293     0.956272 -0.539075    0.938044 0.927175 0.359914  0.681361 0.310414  
1 1 1 50 8  23 o 0.697875 0.288538  0.176277     0.655062 0.327648     0.884691 -0.00743182  0.974621 0.826211 0.337507  0.786475 0.339482  
1 1 1 50 8  24 o 1.88523  0.194409  3.62683      0.733014 3.92653      1.01914  3.30564      1.05507  1.94562  0.261907  1.7492   0.312887  
1 1 1 50 8  25 o 0.89996  0.320446  0.766607     0.728485 1.93752      0.972888 -0.727767    1.09908  1.31929  0.359146  0.713374 0.329176  
1 1 1 50 8  26 o 2.56691  0.162238  6.70249      0.832899 7.89609      1.17523  5.498        1.18058  2.76931  0.212189  2.29541  0.257161  
1 1 1 50 8  27 o 0.818488 0.324406  0.467036     0.78843  -0.102725    1.11835  1.03004      1.1117   0.80892  0.356361  1.04613  0.392631  
1 1 1 50 8  28 o 2.99642  0.145786  9.12731      0.873674 8.97809      1.20218  9.29434      1.27189  2.94892  0.203833  2.99646  0.212233  
1 1 1 50 8  29 o 1.16431  0.337415  1.53483      0.83112  1.9749       1.17568  1.0952       1.17509  1.29906  0.407279  1.06154  0.402322  
1 1 1 50 8  30 o 1.84695  0.220165  3.59556      0.813268 4.35763      1.13714  2.79763      1.16359  1.99893  0.284436  1.52523  0.381932  
1 1 1 50 8  31 o 2.76109  0.159168  7.86627      0.878951 8.25087      1.23624  7.47311      1.24992  2.78736  0.221758  2.64214  0.236535  
1 1 1 50 8  32 o 0.861932 0.333523  0.718692     0.819815 0.030789     1.1185   1.51728      1.20513  0.791501 0.351531  1.11523  0.410645  
1 1 1 50 8  33 o 1.52069  0.287739  2.71604      0.843285 1.77199      1.18158  3.6961       1.2039   1.15014  0.408252  1.70798  0.363312  
1 1 1 50 8  34 o 0.661618 0.299153  -0.0897882   0.84499  0.985361     1.1618   -1.29723     1.23121  0.936666 0.385387  0.63701  0.308871  
1 1 1 50 8  35 o 0.979086 0.351272  1.32337      0.876858 0.495212     1.26017  2.10072      1.22089  0.827471 0.370084  1.15014  0.41431   
1 1 1 50 8  36 o 1.05485  0.383617  1.84655      1.04889  1.67766      1.43073  2.04279      1.54223  0.973096 0.415425  1.02472  0.434156  
1 1 1 50 8  37 o 0.908021 0.376232  1.4385       1.11752  1.20239      1.62537  1.65018      1.53898  0.8582   0.397641  0.914243 0.408935  
1 1 1 50 8  38 o 0.700623 0.334369  0.491035     1.29638  -0.393333    1.74838  1.57099      1.93206  0.666403 0.331692  0.790616 0.384468  
1 1 1 50 9  0  o 1.95     0.203736  3.93484      0.774716 3.93484      0.774716 3.93484      0.774716 1.96748  0.140875  ?        ?         
1 1 1 50 9  1  o 14.6813  0.108202  215.852      3.1771   218.296      4.64261  213.701      4.35716  14.7522  0.157353  14.5984  0.149234  
1 1 1 50 9  2  o 8.90218  0.074761  79.3043      1.33107  77.3964      1.88661  81.1954      1.87826  8.79117  0.107301  9.00471  0.104293  
1 1 1 50 9  3  o 6.09597  0.0698268 37.184       0.851324 38.0671      1.23495  36.3843      1.17518  6.16589  0.100143  6.02828  0.0974725 
1 1 1 50 9  4  o 5.29246  0.0675366 28.0269      0.714869 27.9288      1.02406  28.1201      0.998381 5.28151  0.096948  5.29974  0.0941914 
1 1 1 50 9  5  o 8.09028  0.0737534 65.5012      1.19337  64.2261      1.69136  66.7652      1.68403  8.00803  0.105604  8.16507  0.103124  
1 1 1 50 9  6  o 4.7429   0.0724995 22.5117      0.687716 21.7533      0.98296  23.239       0.962516 4.66039  0.105459  4.8173   0.0999022 
1 1 1 50 9  7  f 7.06002  0.0736474 49.8832      1.0399   49.135       1.51131  50.5559      1.4331   7.00368  0.107894  7.10499  0.100852  
1 1 1 50 9  8  o 6.03782  0.0710237 36.4831      0.857657 35.3814      1.17711  37.7298      1.25219  5.94378  0.0990207 6.13758  0.10201   
1 1 1 50 9  9  o 8.37476  0.0768753 70.2031      1.28762  69.3548      1.80163  71.089       1.84096  8.32006  0.10827   8.42329  0.109278  
1 1 1 50 9  10 o 3.0781   0.0902217 9.48796      0.555423 8.87274      0.776429 10.1327      0.794868 2.97433  0.130522  3.1789   0.125023  
1 1 1 50 9  11 o 2.97033  0.0929743 8.8369       0.552329 9.1736       0.782849 8.50317      0.779385 3.02413  0.129434  2.91122  0.133859  
1 1 1 50 9  12 o 0.693657 0.264423  0.340167     0.510034 0.668451     0.736132 0.0370745    0.707324 0.887249 0.321501  0.694432 0.29411   
1 1 1 50 9  13 o 0.988821 0.261275  1.02724      0.52454  1.20229      0.742005 0.852365     0.741619 1.07771  0.320747  0.95018  0.324662  
1 1 1 50 9  14 o 0.693671 0.269532  0.309956     0.536564 0.0902441    0.778134 0.509127     0.740868 0.738642 0.310439  0.837084 0.318809  
1 1 1 50 9  15 o 5.64749  0.0821809 31.9466      0.928232 32.3865      1.30807  31.5004      1.31742  5.68177  0.115111  5.60311  0.117561  
1 1 1 50 9  16 o 2.90344  0.115833  8.4609       0.67263  8.13691      0.921725 8.83         0.983789 2.84242  0.162137  2.96048  0.166154  
1 1 1 50 9  17 o 3.72849  0.0921225 13.9363      0.686955 13.9371      0.956849 13.9355      0.986846 3.72427  0.128461  3.72348  0.132517  
1 1 1 50 9  18 o 2.72541  0.120438  7.46218      0.656486 7.69238      0.933474 7.2369       0.923429 2.76083  0.169057  2.67735  0.172452  
1 1 1 50 9  19 o 3.15708  0.113916  10.0133      0.719282 9.6015       1.01337  10.4314      1.02111  3.08373  0.164309  3.21526  0.158791  
1 1 1 50 9  20 o 3.83093  0.110877  14.7404      0.849522 13.421       1.15025  16.3238      1.26006  3.64713  0.157693  4.0225   0.156626  
1 1 1 50 9  21 o 2.08895  0.171845  4.41475      0.717949 4.05315      0.979561 4.83446      1.05533  1.98946  0.246188  2.17347  0.242776  
1 1 1 50 9  22 o 2.47119  0.139535  6.15907      0.689632 6.62613      0.925582 5.57622      1.03397  2.55568  0.181083  2.33627  0.221286  
1 1 1 50 9  23 o 2.8965   0.127285  8.45856      0.737361 8.9758       1.00642  7.85917      1.0834   2.97449  0.169176  2.77679  0.195081  
1 1 1 50 9  24 o 1.76408  0.231052  3.20698      0.815192 3.0494       1.10366  3.39617      1.20927  1.66456  0.343243  1.75305  0.35729   
1 1 1 50 9  25 o 0.919209 0.319895  0.830205     0.722355 1.32507      0.976262 0.231494     1.07382  1.11841  0.372498  0.862551 0.3637    
1 1 1 50 9  26 o 1.4249   0.281862  2.20518      0.774671 2.07677      1.07772  2.34246      1.1143   1.3521   0.381803  1.43367  0.381724  
1 1 1 50 9  27 o 1.1169   0.336751  1.38079      0.814335 2.36639      1.19578  0.528375     1.11206  1.42845  0.401789  0.927127 0.37851   
1 1 1 50 9  28 o 1.3329   0.313589  1.99193      0.822945 1.73217      1.16176  2.25355      1.16589  1.23328  0.40635   1.38728  0.398857  
1 1 1 50 9  29 o 0.706291 0.306089  0.0251967    0.798338 0.381849     1.13766  -0.320824    1.12057  0.890771 0.374917  0.763396 0.344871  
1 1 1 50 9  30 o 1.11876  0.335298  1.45491      0.808951 1.60529      1.11054  1.28491      1.18074  1.16512  0.397291  1.08445  0.405108  
1 1 1 50 9  31 o 2.73273  0.165096  7.73595      0.902328 7.15753      1.2492   8.36699      1.30478  2.5771   0.242366  2.79356  0.233533  
1 1 1 50 9  32 o 1.92978  0.213039  3.99405      0.822236 3.53391      1.13576  4.5008       1.19191  1.70571  0.344989  1.9823   0.300638  
1 1 1 50 9  33 o 0.889738 0.336764  0.877989     0.82243  1.66322      1.14457  0.0397902    1.18254  1.11918  0.401349  0.789893 0.355697  
1 1 1 50 9  34 o 0.609043 0.285324  -0.449659    0.872165 -1.18531     1.20884  0.349037     1.25958  0.634192 0.307111  0.82614  0.36973   
1 1 1 50 9  35 o 1.35759  0.341795  2.51399      0.928097 3.12122      1.32306  1.92572      1.30224  1.38813  0.431426  1.0899   0.420638  
1 1 1 50 9  36 o 0.815251 0.351945  0.880826     1.04773  1.56542      1.5449   0.297799     1.4257   0.927731 0.412481  0.767975 0.360679  
1 1 1 50 9  37 o 0.641322 0.305974  -0.248849    1.08338  0.136555     1.49436  -0.675847    1.57293  0.7407   0.354805  0.686349 0.336641  
1 1 1 50 10 0  o 1.41604  0.283814  2.23949      0.712559 2.23949      0.712559 2.23949      0.712559 1.4634   0.178115  ?        ?         
1 1 1 50 10 1  o 6.10268  0.0675586 37.2656      0.824576 36.6985      1.15386  37.8575      1.17879  6.05422  0.0952938 6.14903  0.0958521 
1 1 1 50 10 2  o 4.97598  0.0698321 24.7769      0.694966 25.2542      1.00986  24.3474      0.957864 5.02189  0.100545  4.93113  0.0971242 
1 1 1 50 10 3  o 8.43951  0.0756768 71.2818      1.27735  71.7589      1.84139  70.8392      1.77342  8.46413  0.108776  8.41013  0.105434  
1 1 1 50 10 4  o 10.483   0.0830338 109.999      1.74088  109.276      2.45846  110.727      2.46551  10.4433  0.117705  10.5125  0.117266  
1 1 1 50 10 5  o 3.04094  0.0907617 9.2583       0.552002 9.44943      0.79196  9.0777       0.769809 3.07029  0.128972  3.00935  0.127903  
1 1 1 50 10 6  o 3.52367  0.0835751 12.4291      0.588981 11.8934      0.865968 12.8902      0.803434 3.44461  0.125699  3.58692  0.111995  
1 1 1 50 10 7  o 7.3592   0.0765629 54.2069      1.12688  52.0078      1.58995  56.4265      1.59738  7.2048   0.11034   7.50513  0.10642   
1 1 1 50 10 8  o 2.38887  0.103764  5.71672      0.495757 5.91188      0.701026 5.52147      0.701187 2.42728  0.144406  2.34548  0.149476  
1 1 1 50 10 9  o 3.83743  0.079786  14.7422      0.612347 14.0377      0.86183  15.4603      0.870209 3.74237  0.115145  3.92776  0.110777  
1 1 1 50 10 10 o 4.77158  0.0735597 22.7906      0.701991 22.4495      0.996391 23.1268      0.98918  4.73326  0.105254  4.80434  0.102947  
1 1 1 50 10 11 o 2.72668  0.105591  7.45106      0.575827 7.23974      0.791653 7.68846      0.839102 2.68496  0.147423  2.76658  0.15165   
1 1 1 50 10 12 o 3.40313  0.0885371 11.6         0.602607 11.7264      0.839787 11.4658      0.865212 3.41911  0.122808  3.38047  0.127972  
1 1 1 50 10 13 o 2.56378  0.108955  6.58997      0.558675 6.67311      0.79251  6.50783      0.787685 2.57665  0.153787  2.54446  0.154784  
1 1 1 50 10 14 o 4.09585  0.0851397 16.8048      0.697438 16.422       0.97929  17.1988      0.993517 4.04539  0.121038  4.14009  0.119987  
1 1 1 50 10 15 o 2.06764  0.149085  4.30018      0.616508 4.62001      0.862764 3.96647      0.881278 2.13806  0.201763  1.9788   0.22268   
1 1 1 50 10 16 o 4.99569  0.0895178 25.0143      0.894407 24.0077      1.21851  26.1902      1.31698  4.88897  0.124619  5.10556  0.128975  
1 1 1 50 10 17 o 2.14585  0.141141  4.63297      0.605733 5.87397      0.880019 3.51564      0.835021 2.41123  0.182484  1.86055  0.224402  
1 1 1 50 10 18 o 1.09724  0.277327  1.2827       0.609223 2.21962      0.914574 0.535338     0.816831 1.43695  0.325697  0.864348 0.333234  
1 1 1 50 10 19 o 2.34395  0.149771  5.53838      0.702112 5.78919      1.01921  5.31186      0.968595 2.38645  0.213541  2.28625  0.211831  
1 1 1 50 10 20 f 2.44499  0.146305  6.02646      0.715429 5.22642      0.996467 6.87762      1.0278   2.26538  0.219934  2.60329  0.197404  
1 1 1 50 10 21 o 2.68765  0.130184  7.27269      0.699781 7.25044      0.965466 7.29731      1.01573  2.67504  0.180458  2.68191  0.189366  
1 1 1 50 10 22 o 1.9282   0.174843  3.77444      0.674266 3.86749      0.896479 3.65323      1.02314  1.94125  0.230903  1.87729  0.272503  
1 1 1 50 10 23 o 2.38927  0.16072   5.78713      0.768006 6.95224      1.01441  4.22238      1.17558  2.61052  0.194292  2.00944  0.292515  
1 1 1 50 10 24 o 2.90046  0.138272  8.50711      0.802108 7.93427      1.04976  9.31071      1.24336  2.78789  0.188272  3.01389  0.206271  
1 1 1 50 10 25 o 1.48409  0.246129  2.28801      0.730555 3.11478      0.988676 1.29367      1.08425  1.69358  0.302821  1.11981  0.391707  
1 1 1 50 10 26 o 1.13069  0.323941  1.41775      0.770383 1.54764      1.06872  1.27725      1.11151  1.18449  0.389739  1.11155  0.39582   
1 1 1 50 10 27 o 0.953638 0.329987  0.927725     0.767721 0.142494     1.04133  1.86274      1.13632  0.825958 0.353568  1.27788  0.400357  
1 1 1 50 10 28 f 1.28719  0.316936  1.86819      0.811559 1.80532      1.11361  1.9394       1.18517  1.25028  0.397029  1.28967  0.409592  
1 1 1 50 10 29 f 2.76547  0.160383  7.85434      0.887069 7.54122      1.28731  8.13746      1.22409  2.66603  0.241428  2.78307  0.219916  
1 1 1 50 10 30 o 1.69481  0.242481  3.07988      0.821919 4.34884      1.13884  1.70034      1.18742  1.98786  0.286448  1.18828  0.410467  
1 1 1 50 10 31 o 0.974643 0.339605  1.0741       0.814325 0.28576      1.14312  1.88635      1.16033  0.847093 0.366678  1.22342  0.406099  
1 1 1 50 10 32 o 1.74835  0.241816  3.36491      0.845558 4.31666      1.17223  2.33257      1.22085  1.92899  0.303846  1.31069  0.415656  
1 1 1 50 10 33 o 0.615775 0.28597   -0.418092    0.846846 0.0780288    1.15497  -0.994925    1.24538  0.785286 0.352678  0.677721 0.32446   
1 1 1 50 10 34 o 0.864589 0.341519  0.885893     0.871077 1.62924      1.27903  0.24286      1.1896   1.04803  0.41388   0.787864 0.355661  
1 1 1 50 10 35 o 0.749555 0.328846  0.394709     0.944254 0.867237     1.37362  -0.0286358   1.30016  0.884742 0.391677  0.754909 0.352029  
1 1 1 50 10 36 o 0.612862 0.294234  -0.470927    1.04237  -0.791816    1.52034  -0.186287    1.43189  0.676831 0.33165   0.711214 0.342278  
1 1 1 50 10 37 o 0.9762   0.390178  1.92036      1.14954  2.32381      1.50588  1.35693      1.77957  0.976993 0.421853  0.83925  0.396907  
1 1 1 50 11 0  o 0.646937 0.359875  0.586513     0.679511 0.586513     0.679511 0.586513     0.679511 0.627633 0.31495   ?        ?         
1 1 1 50 11 1  o 4.25549  0.0735869 18.1232      0.626296 18.137       0.869357 18.1084      0.903037 4.25556  0.102144  4.25194  0.106191  
1 1 1 50 11 2  o 7.43771  0.0691057 55.3578      1.02798  55.5119      1.46318  55.2076      1.44455  7.4454   0.0982609 7.42507  0.0972753 
1 1 1 50 11 3  o 1.89293  0.130832  3.59215      0.495311 2.44591      0.653148 5.1435       0.759851 1.5589   0.20949   2.26323  0.167869  
1 1 1 50 11 4  f 4.37114  0.0727132 19.1219      0.635679 19.4256      0.904119 18.825       0.893939 4.40396  0.102648  4.33531  0.1031    
1 1 1 50 11 5  o 7.56634  0.0731833 57.2964      1.10746  56.3232      1.58992  58.2136      1.54348  7.49835  0.106018  7.62374  0.101229  
1 1 1 50 11 6  o 2.60618  0.103275  6.80374      0.538305 6.12908      0.776236 7.42879      0.747154 2.4708   0.157082  2.72146  0.137271  
1 1 1 50 11 7  o 9.1282   0.0828808 83.4197      1.51311  78.4716      2.11201  88.6376      2.16883  8.84782  0.119352  9.40424  0.115312  
1 1 1 50 11 8  o 2.49216  0.100774  6.22195      0.50229  6.26625      0.728799 6.18187      0.693227 2.49854  0.145845  2.48205  0.139648  
1 1 1 50 11 9  o 1.58346  0.152373  2.51815      0.482554 3.33202      0.684164 1.71246      0.680718 1.81941  0.188018  1.27545  0.274709  
1 1 1 50 11 10 o 8.14954  0.0779128 66.4945      1.26991  67.8133      1.88556  65.3996      1.71796  8.22427  0.114634  8.07804  0.106335  
1 1 1 50 11 11 o 2.02789  0.132316  4.1271       0.536644 3.91356      0.760163 4.33926      0.7577   1.97081  0.192855  2.07605  0.182486  
1 1 1 50 11 12 o 5.4594   0.0769489 29.8431      0.84019  30.3308      1.17669  29.3359      1.20007  5.50061  0.10696   5.40914  0.11093   
1 1 1 50 11 13 o 5.63176  0.0797538 31.7637      0.898307 32.0824      1.21308  31.3767      1.3367   5.65657  0.107227  5.5922   0.119515  
1 1 1 50 11 14 o 2.42531  0.129634  5.90749      0.628807 5.4145       0.867825 6.45241      0.912381 2.31656  0.187309  2.52968  0.180335  
1 1 1 50 11 15 o 6.80777  0.0948163 46.4628      1.29097  47.5377      1.81208  45.355       1.83966  6.87814  0.131728  6.71708  0.136939  
1 1 1 50 11 16 o 2.7161   0.117525  7.40785      0.63842  7.33446      0.923937 7.47491      0.883166 2.69637  0.17133   2.7233   0.16215   
1 1 1 50 11 17 o 4.14629  0.0895815 17.2366      0.742861 16.8684      1.06681  17.5831      1.03504  4.09568  0.130236  4.18268  0.123729  
1 1 1 50 11 18 o 2.46668  0.137605  6.12617      0.678857 5.73168      1.00994  6.45131      0.916886 2.37467  0.212649  2.52487  0.181571  
1 1 1 50 11 19 o 4.17658  0.102655  17.5102      0.857492 17.8651      1.23658  17.1814      1.19011  4.2102   0.146855  4.12945  0.1441    
1 1 1 50 11 20 o 3.49465  0.106781  12.2678      0.746326 11.3996      1.00607  13.3303      1.11293  3.36139  0.149651  3.63416  0.15312   
1 1 1 50 11 21 o 3.11146  0.111943  9.73456      0.696613 9.58451      0.942088 9.91558      1.03474  3.08001  0.152936  3.13006  0.16529   
1 1 1 50 11 22 o 2.92023  0.121939  8.59186      0.712177 8.27273      0.947838 9.00563      1.07925  2.85644  0.165913  2.97632  0.181306  
1 1 1 50 11 23 f 2.20173  0.174871  4.93196      0.770035 5.31534      1.02926  4.44457      1.1605   2.27243  0.226467  2.06206  0.281394  
1 1 1 50 11 24 o 0.971756 0.319732  0.97841      0.719268 0.625053     0.973372 1.40344      1.06753  0.920886 0.361883  1.15248  0.389522  
1 1 1 50 11 25 o 1.14237  0.317881  1.43841      0.752452 1.12382      1.02756  1.80212      1.10489  1.06199  0.380338  1.26792  0.394293  
1 1 1 50 11 26 o 3.10004  0.135525  9.7431       0.840263 9.89436      1.13227  9.55768      1.2536   3.10697  0.182214  3.04338  0.205955  
1 1 1 50 11 27 o 0.592214 0.274441  -0.560188    0.774601 -1.60558     1.05064  0.684725     1.14653  0.586719 0.284749  0.966757 0.388306  
1 1 1 50 11 28 o 2.24513  0.186541  5.19939      0.837621 4.28486      1.15797  6.20307      1.2131   1.99521  0.290187  2.42269  0.250363  
1 1 1 50 11 29 o 0.765221 0.31747   0.310266     0.797292 0.199141     1.09539  0.435471     1.1627   0.833499 0.359841  0.896323 0.378221  
1 1 1 50 11 30 o 0.860516 0.333826  0.670433     0.822397 1.3921       1.1642   -0.0483671   1.16189  1.10223  0.40383   0.803425 0.357449  
1 1 1 50 11 31 o 1.18751  0.338026  1.71192      0.841463 1.51349      1.15929  1.93285      1.22331  1.11271  0.403435  1.22322  0.416974  
1 1 1 50 11 32 o 2.40181  0.187719  6.14166      0.901731 6.58267      1.20352  5.57724      1.36154  2.43288  0.247344  2.17433  0.313093  
1 1 1 50 11 33 o 0.924184 0.345573  1.02686      0.859605 1.36072      1.18884  0.661069     1.24439  1.0222   0.400373  0.887663 0.383385  
1 1 1 50 11 34 o 1.27346  0.345347  2.22532      0.90169  2.10448      1.32059  2.33086      1.23416  1.13626  0.427641  1.20856  0.418371  
1 1 1 50 11 35 o 0.721757 0.330064  0.167356     1.07677  -1.41746     1.53714  1.69433      1.50883  0.663325 0.326703  0.986525 0.424058  
1 1 1 50 11 36 o 0.812893 0.34977   0.964608     1.02832  -0.183725    1.44684  2.13681      1.46181  0.706575 0.341026  0.990587 0.421308  
1 1 1 50 11 37 o 1.00717  0.403403  2.46607      1.23248  1.3046       1.56732  4.348        1.99506  0.78155  0.37097   1.03615  0.464478  
1 1 1 50 12 0  o 1.4645   0.258808  2.34477      0.687369 2.34477      0.687369 2.34477      0.687369 1.50276  0.166368  ?        ?         
1 1 1 50 12 1  o 2.19607  0.114714  4.83238      0.503839 5.08604      0.700413 4.56036      0.725312 2.25103  0.155576  2.13075  0.170201  
1 1 1 50 12 2  o 3.86951  0.0737064 14.9856      0.570415 14.1301      0.792835 15.9036      0.821293 3.75575  0.10555   3.98464  0.103057  
1 1 1 50 12 3  o 5.49967  0.0700644 30.2696      0.770661 29.3963      1.05014  31.2889      1.13451  5.4178   0.0969153 5.58909  0.101493  
1 1 1 50 12 4  f 6.83273  0.0718153 46.7249      0.981389 47.1291      1.3968   46.3308      1.37915  6.8593   0.101818  6.801    0.101393  
1 1 1 50 12 5  o 10.4251  0.0877777 108.822      1.83019  106.399      2.56959  111.317      2.60737  10.3016  0.124718  10.5372  0.123722  
1 1 1 50 12 6  o 10.3418  0.0867396 107.093      1.79409  105.614      2.69888  108.263      2.40153  10.2614  0.131506  10.3929  0.115537  
1 1 1 50 12 7  o 3.23729  0.0835219 10.4932      0.54077  10.4659      0.808651 10.5154      0.727325 3.23053  0.125158  3.23905  0.112275  
1 1 1 50 12 8  o 3.59585  0.081124  12.9462      0.58342  12.3304      0.860768 13.4695      0.793494 3.50649  0.122739  3.66603  0.108222  
1 1 1 50 12 9  o 6.39507  0.0724253 40.9395      0.926331 40.0802      1.32534  41.7603      1.29524  6.32403  0.104786  6.4558   0.100316  
1 1 1 50 12 10 f 6.82948  0.0830719 46.708       1.13468  44.7939      1.65871  48.3915      1.5556   6.68231  0.124112  6.9475   0.111954  
1 1 1 50 12 11 o 4.86909  0.0747074 23.7365      0.727514 23.5368      1.05079  23.9204      1.00824  4.84539  0.108432  4.88529  0.103192  
1 1 1 50 12 12 o 3.33895  0.0901371 11.1696      0.601927 11.9328      0.870945 10.4717      0.832839 3.44805  0.126295  3.2298   0.12893   
1 1 1 50 12 13 o 4.76272  0.0842461 22.7241      0.802482 24.4961      1.07149  20.4606      1.21103  4.94206  0.108406  4.51314  0.134168  
1 1 1 50 12 14 o 4.86998  0.0874997 23.7671      0.852244 25.6431      1.15239  21.5024      1.26613  5.05489  0.113988  4.62518  0.136874  
1 1 1 50 12 15 o 3.51588  0.0948616 12.3943      0.667044 11.9618      0.950987 12.8131      0.93588  3.44897  0.137865  3.57055  0.131055  
1 1 1 50 12 16 o 2.75307  0.117221  7.61237      0.645432 7.61024      0.916239 7.61447      0.909358 2.74647  0.166803  2.74742  0.165493  
1 1 1 50 12 17 o 1.46257  0.213752  2.17323      0.625252 2.75336      0.935242 1.70439      0.840765 1.60972  0.301646  1.25854  0.329978  
1 1 1 50 12 18 o 2.72679  0.131615  7.48157      0.717776 8.0092       1.12278  7.11689      0.933426 2.80984  0.199794  2.65294  0.175923  
1 1 1 50 12 19 o 2.43983  0.145433  6.00125      0.709663 6.38416      1.03496  5.66145      0.974957 2.50616  0.206483  2.36004  0.206555  
1 1 1 50 12 20 o 1.43474  0.222789  2.09964      0.639288 1.32403      0.887276 2.93695      0.921897 1.12338  0.354139  1.68831  0.273023  
1 1 1 50 12 21 o 1.89958  0.17106   3.66092      0.649884 4.42937      0.880166 2.73979      0.963647 2.08177  0.211399  1.59274  0.313686  
1 1 1 50 12 22 o 3.06989  0.12762   9.50582      0.783563 9.53284      1.04043  9.4704       1.19102  3.06408  0.169778  3.04654  0.195472  
1 1 1 50 12 23 o 2.82856  0.134203  8.08504      0.759201 6.80309      1.0478   9.50189      1.10156  2.57725  0.203279  3.05354  0.180374  
1 1 1 50 12 24 o 3.30455  0.120881  11.0212      0.798917 10.4476      1.07348  11.7335      1.19612  3.20362  0.167542  3.39184  0.176323  
1 1 1 50 12 25 o 2.11621  0.182108  4.58601      0.770757 4.0531       1.04804  5.21376      1.13747  1.96331  0.266908  2.23157  0.254859  
1 1 1 50 12 26 o 1.34007  0.300661  1.9858       0.785897 2.75188      1.05116  1.01486      1.1834   1.56303  0.345478  1.05362  0.402447  
1 1 1 50 12 27 o 2.29561  0.173644  5.40876      0.79724  5.42391      1.09764  5.39183      1.15987  2.27188  0.24157   2.25805  0.256831  
1 1 1 50 12 28 o 1.77047  0.226408  3.29557      0.801697 4.26817      1.11073  2.23788      1.1583   1.99023  0.279046  1.36788  0.398954  
1 1 1 50 12 29 o 2.04727  0.207407  4.4074       0.849237 4.46123      1.15439  4.3439       1.25376  2.01577  0.28634   1.96839  0.318472  
1 1 1 50 12 30 o 2.25261  0.187816  5.31262      0.846152 5.5329       1.20372  5.09744      1.18968  2.24685  0.267868  2.15037  0.276622  
1 1 1 50 12 31 o 2.41598  0.182282  6.14909      0.880778 6.51927      1.18435  5.69102      1.31747  2.43929  0.242766  2.2331   0.294987  
1 1 1 50 12 32 o 1.97941  0.233437  4.32276      0.924137 3.10051      1.24715  5.81108      1.37621  1.51276  0.404321  2.21793  0.310247  
1 1 1 50 12 33 o 1.06463  0.353805  1.52424      0.880735 2.4198       1.27804  0.714295     1.21542  1.25887  0.426199  0.879174 0.379296  
1 1 1 50 12 34 o 1.96248  0.247742  4.5057       0.97238  4.75321      1.3663   4.25167      1.38418  1.82776  0.385757  1.6796   0.414131  
1 1 1 50 12 35 o 1.01989  0.380496  1.76722      1.04096  1.50803      1.57509  1.96821      1.38706  0.923675 0.413415  1.01007  0.418874  
1 1 1 50 12 36 o 0.786282 0.347476  0.777331     1.07467  1.93681      1.48975  -0.480711    1.55178  0.963819 0.417919  0.701851 0.342029  
1 1 1 50 13 0  o 7.0828   0.097637  50.2341      1.3825   50.2341      1.3825   50.2341      1.3825   7.08519  0.0690017 ?        ?         
1 1 1 50 13 1  o 1.90686  0.12787   3.64594      0.48766  4.08337      0.682127 3.18865      0.697439 2.01593  0.169185  1.77999  0.195911  
1 1 1 50 13 2  o 5.33368  0.0692291 28.471       0.738492 29.0951      1.04603  27.8508      1.04275  5.3897   0.0970393 5.27304  0.0988759 
1 1 1 50 13 3  o 1.31409  0.187832  1.73721      0.493655 1.59951      0.667017 1.90398      0.734057 1.23258  0.277299  1.34592  0.281781  
1 1 1 50 13 4  o 2.81349  0.0921542 7.92748      0.518549 8.66529      0.696989 7.0128       0.776044 2.94005  0.118533  2.64316  0.146802  
1 1 1 50 13 5  o 4.01764  0.0731964 16.1569      0.588153 15.5562      0.836224 16.7451      0.827394 3.94013  0.106116  4.0883   0.10119   
1 1 1 50 13 6  o 2.3452   0.10262   5.51073      0.48133  5.46676      0.677917 5.55544      0.683525 2.33353  0.145256  2.35238  0.145284  
1 1 1 50 13 7  o 3.01957  0.0875527 9.13131      0.528742 7.83261      0.728606 10.5761      0.768496 2.79409  0.130383  3.2477   0.118314  
1 1 1 50 13 8  o 1.34862  0.176426  1.83013      0.475862 1.17151      0.654283 2.56975      0.693356 1.05808  0.297073  1.59553  0.21728   
1 1 1 50 13 9  o 5.86463  0.0729627 34.4319      0.855798 33.7136      1.2186   35.1308      1.20213  5.79976  0.105056  5.92084  0.101517  
1 1 1 50 13 10 o 2.3448   0.112063  5.51305      0.525529 5.29769      0.759179 5.71118      0.728208 2.29493  0.165404  2.38383  0.152739  
1 1 1 50 13 11 o 10.1334  0.0874519 102.867      1.77237  100.648      2.49388  105.132      2.51933  10.0145  0.124514  10.2355  0.123068  
1 1 1 50 13 12 o 0.986083 0.25601   1.02518      0.509247 1.00289      0.734385 1.04583      0.706777 1.00019  0.322905  1.01169  0.315505  
1 1 1 50 13 13 o 2.75355  0.105555  7.60528      0.581302 7.81006      0.832378 7.41033      0.812165 2.7862   0.149375  2.71393  0.149629  
1 1 1 50 13 14 o 3.69936  0.100495  13.7255      0.743531 14.5624      0.99485  12.6665      1.11911  3.80668  0.130672  3.54624  0.157788  
1 1 1 50 13 15 o 5.95795  0.0823437 35.572       0.981198 35.1466      1.34326  36.0586      1.43669  5.91655  0.113518  5.99143  0.119895  
1 1 1 50 13 16 o 2.33814  0.136139  5.50118      0.636623 5.26256      0.912987 5.72701      0.888168 2.27845  0.200353  2.37899  0.186669  
1 1 1 50 13 17 o 0.946634 0.294139  0.924048     0.615046 0.9988       0.914479 0.862305     0.8311   1.02591  0.359652  0.965824 0.342435  
1 1 1 50 13 18 o 1.86903  0.174229  3.53247      0.651278 2.99008      0.92283  4.07068      0.919271 1.70611  0.270449  1.998    0.230047  
1 1 1 50 13 19 o 4.30862  0.0962951 18.6328      0.829798 18.6884      1.17648  18.5778      1.17056  4.30694  0.13658   4.29426  0.136294  
1 1 1 50 13 20 o 2.78802  0.123424  7.82665      0.688216 8.06946      0.976185 7.58671      0.970411 2.82161  0.172983  2.73496  0.177408  
1 1 1 50 13 21 o 4.08137  0.100285  16.7425      0.818603 17.5495      1.07708  15.6389      1.25959  4.17163  0.129096  3.92911  0.160289  
1 1 1 50 13 22 o 1.71939  0.220791  3.03834      0.75925  2.16905      0.997055 4.23816      1.17137  1.39679  0.355831  2.01046  0.291318  
1 1 1 50 13 23 o 2.08884  0.17039   4.44007      0.711836 4.90166      0.987005 3.93974      1.0276   2.18017  0.22636   1.9439   0.264314  
1 1 1 50 13 24 o 2.01671  0.182844  4.15802      0.737488 3.35406      0.991313 5.1545       1.10364  1.78592  0.277535  2.22499  0.24801   
1 1 1 50 13 25 o 1.66991  0.222342  2.89203      0.742584 3.96732      1.02696  1.71373      1.07503  1.9416   0.264463  1.2336   0.389925  
1 1 1 50 13 26 o 1.14318  0.316718  1.45558      0.748568 0.670596     1.03309  2.32331      1.08618  0.93732  0.371394  1.42115  0.376188  
1 1 1 50 13 27 o 1.48062  0.268908  2.39157      0.766935 2.76842      1.05974  1.97715      1.11132  1.55638  0.349095  1.30183  0.393571  
1 1 1 50 13 28 o 2.09174  0.197769  4.56166      0.827361 4.80968      1.11886  4.26238      1.22902  2.11391  0.264641  1.96236  0.313149  
1 1 1 50 13 29 o 2.71607  0.162154  7.61774      0.880847 6.7211       1.23056  8.55993      1.26143  2.5003   0.246082  2.84016  0.22207   
1 1 1 50 13 30 o 0.821484 0.327891  0.564539     0.810668 0.58669      1.10578  0.5388       1.19198  0.894497 0.372661  0.903245 0.382136  
1 1 1 50 13 31 f 0.796802 0.324921  0.516027     0.818497 0.241499     1.08398  0.880168     1.24842  0.804951 0.352749  0.955432 0.396876  
1 1 1 50 13 32 o 1.99487  0.222348  4.36398      0.887108 2.51429      1.20804  6.52882      1.30691  1.34163  0.411297  2.38582  0.27389   
1 1 1 50 13 33 o 1.22841  0.354099  2.07626      0.917733 1.39404      1.2296   2.93426      1.37894  0.998362 0.40166   1.34705  0.442705  
1 1 1 50 13 34 o 1.33616  0.357317  2.5307       0.9737   1.79668      1.37387  3.2715       1.38019  1.04617  0.423047  1.39352  0.441952  
1 1 1 50 13 35 o 1.15469  0.390415  2.3465       1.07244  2.75827      1.52772  1.94644      1.50583  1.10604  0.44658   0.970378 0.420457  
1 1 1 50 13 36 o 0.747948 0.341864  0.597329     1.15345  1.29194      1.47872  -0.482073    1.84335  0.84766  0.387288  0.718032 0.354118  
1 1 1 50 14 0  o 13.9469  0.147422  194.959      4.11112  194.959      4.11112  194.959      4.11112  13.9548  0.104171  ?        ?         
1 1 1 50 14 1  o 3.65199  0.0818359 13.3531      0.597728 13.0772      0.825907 13.6565      0.86616  3.61199  0.114329  3.69089  0.117338  
1 1 1 50 14 2  o 3.40843  0.0843376 11.6324      0.574917 11.2432      0.769452 12.1242      0.865026 3.34907  0.114876  3.47709  0.124389  
1 1 1 50 14 3  f 3.75241  0.0780075 14.0963      0.585432 13.8571      0.806473 14.3629      0.851188 3.71848  0.108441  3.78542  0.11243   
1 1 1 50 14 4  o 4.01481  0.0737942 16.1352      0.59254  15.799       0.817754 16.507       0.859782 3.97083  0.10297   4.05859  0.105921  
1 1 1 50 14 5  o 2.04737  0.114489  4.20237      0.468804 4.37893      0.65454  4.01638      0.671772 2.08764  0.156766  1.99864  0.168057  
1 1 1 50 14 6  o 3.70443  0.0750873 13.7382      0.556311 13.5384      0.768826 13.9577      0.805973 3.67547  0.104589  3.73169  0.10799   
1 1 1 50 14 7  o 3.92454  0.0737331 15.4191      0.578737 14.5739      0.797326 16.3603      0.841365 3.81335  0.104544  4.04034  0.104121  
1 1 1 50 14 8  o 1.92798  0.127107  3.72971      0.490119 3.97166      0.686086 3.47756      0.700401 1.98674  0.172667  1.85796  0.188487  
1 1 1 50 14 9  o 3.36313  0.085209  11.3287      0.573138 11.0496      0.819486 11.596       0.801881 3.31857  0.12347   3.40012  0.117919  
1 1 1 50 14 10 o 5.63099  0.0718664 31.7462      0.809357 29.806       1.14835  33.6613      1.14089  5.45245  0.105306  5.7953   0.0984328 
1 1 1 50 14 11 o 7.65013  0.0797953 58.618       1.22089  58.7531      1.80522  58.5041      1.65743  7.65175  0.117961  7.63756  0.108505  
1 1 1 50 14 12 o 3.84221  0.0850905 14.7919      0.653872 13.4991      0.907183 16.1897      0.943303 3.6665   0.123712  4.01613  0.117439  
1 1 1 50 14 13 o 2.33005  0.119739  5.45164      0.557997 4.37051      0.795492 6.49885      0.782912 2.07967  0.191254  2.54063  0.154078  
1 1 1 50 14 14 o 2.67209  0.115147  7.16916      0.615366 7.03101      0.91031  7.28542      0.835069 2.63954  0.172437  2.68918  0.155264  
1 1 1 50 14 15 o 2.8915   0.108235  8.39314      0.625922 8.25492      0.888415 8.52936      0.881995 2.86162  0.155229  2.90934  0.15158   
1 1 1 50 14 16 o 0.892016 0.293928  0.790485     0.607854 0.683709     0.873393 0.890788     0.846507 0.923301 0.347721  0.978145 0.345716  
1 1 1 50 14 17 o 4.56692  0.0956382 20.9251      0.873545 20.6348      1.18147  21.2752      1.29741  4.52863  0.130445  4.59597  0.141146  
1 1 1 50 14 18 o 2.02396  0.160193  4.13793      0.648448 4.79194      0.943949 3.55351      0.892315 2.16886  0.217614  1.86411  0.239341  
1 1 1 50 14 19 f 2.83219  0.120367  8.06934      0.681803 6.97789      0.949024 9.23358      0.980159 2.62371  0.180855  3.02213  0.162164  
1 1 1 50 14 20 o 2.77734  0.12939   7.77818      0.718723 7.08526      0.969377 8.62412      1.07107  2.63979  0.183609  2.91232  0.183886  
1 1 1 50 14 21 o 2.59828  0.142863  6.82519      0.742396 6.75112      0.973515 6.92813      1.14766  2.57357  0.189137  2.59816  0.22086   
1 1 1 50 14 22 o 0.940126 0.320917  0.884727     0.724606 0.485235     0.977992 1.37093      1.07892  0.889663 0.358096  1.1464   0.391594  
1 1 1 50 14 23 o 1.2381   0.284571  1.67004      0.690313 1.92158      0.943141 1.37979      1.01311  1.31162  0.352079  1.13736  0.379463  
1 1 1 50 14 24 o 2.78119  0.143267  7.84934      0.796907 7.75312      1.105    7.95362      1.15037  2.7448   0.201289  2.77778  0.207066  
1 1 1 50 14 25 o 0.956852 0.322423  0.952199     0.731424 1.85368      0.991571 -0.123756    1.08328  1.27738  0.368021  0.792371 0.349684  
1 1 1 50 14 26 o 0.567513 0.265097  -0.60631     0.741313 -0.946595    1.02005  -0.22542     1.0792   0.643719 0.303114  0.768851 0.34321   
1 1 1 50 14 27 o 1.45287  0.277167  2.32674      0.776488 2.74976      1.07425  1.86392      1.12365  1.5417   0.355431  1.25983  0.39869   
1 1 1 50 14 28 o 1.33018  0.30205   2.02067      0.785417 1.42356      1.07708  2.69876      1.14779  1.11273  0.390297  1.49276  0.382675  
1 1 1 50 14 29 o 1.67042  0.242376  3.00236      0.809741 3.39366      1.13509  2.59689      1.15547  1.69379  0.347029  1.44672  0.390313  
1 1 1 50 14 30 o 2.60648  0.164268  7.07704      0.856323 7.59116      1.15303  6.44471      1.27874  2.6603   0.216712  2.41092  0.265198  
1 1 1 50 14 31 o 1.94638  0.223406  4.13854      0.869668 3.95577      1.17805  4.35744      1.28926  1.79118  0.341119  1.86363  0.3587    
1 1 1 50 14 32 o 2.28704  0.210115  5.73348      0.961085 6.55855      1.33064  4.83363      1.38964  2.36513  0.281304  1.91155  0.376906  
1 1 1 50 14 33 o 0.734917 0.322062  0.323424     0.903602 0.814277     1.2274   -0.257411    1.33517  0.875264 0.379428  0.744223 0.349436  
1 1 1 50 14 34 o 0.821779 0.347087  0.822711     0.980651 1.85044      1.39077  -0.19352     1.38296  1.02177  0.42124   0.733906 0.34841   
1 1 1 50 14 35 o 0.591497 0.287582  -0.735409    1.08007  -0.311162    1.44477  -1.27289     1.62619  0.695072 0.336445  0.655493 0.325376  
1 1 1 50 14 36 o 1.50086  0.415227  4.42894      1.28764  2.47553      1.74017  6.79273      1.91424  0.898518 0.414452  1.51406  0.521341  
1 1 1 50 15 0  o 6.27886  0.103873  39.4975      1.30361  39.4975      1.30361  39.4975      1.30361  6.28179  0.0733926 ?        ?         
1 1 1 50 15 1  o 9.67525  0.0868455 93.7471      1.6805   95.1313      2.33087  92.2487      2.42511  9.74005  0.119654  9.5898   0.126442  
1 1 1 50 15 2  o 12.0208  0.101693  144.793      2.44488  146.292      3.47525  143.324      3.44017  12.0707  0.143954  11.9477  0.143968  
1 1 1 50 15 3  o 4.11682  0.0784454 16.9688      0.645891 17.8861      0.894194 15.9682      0.933957 4.22453  0.105834  3.99063  0.117019  
1 1 1 50 15 4  o 6.54089  0.0721683 42.828       0.94409  42.6146      1.34886  43.0328      1.32184  6.52102  0.103424  6.55328  0.100853  
1 1 1 50 15 5  o 2.08217  0.112027  4.34653      0.466517 4.26767      0.640673 4.43553      0.680648 2.06078  0.155444  2.10048  0.162022  
1 1 1 50 15 6  o 6.05491  0.0716459 36.7011      0.867618 37.1187      1.25902  36.3235      1.1973   6.08577  0.103439  6.02074  0.0994315 
1 1 1 50 15 7  o 5.9617   0.073386  35.5829      0.875011 34.7652      1.25316  36.3609      1.22232  5.8891   0.106396  6.0234   0.101465  
1 1 1 50 15 8  o 3.61808  0.0760101 13.1075      0.550022 12.1796      0.730971 14.3186      0.835081 3.48564  0.104855  3.77883  0.110495  
1 1 1 50 15 9  o 2.15654  0.11016   4.66408      0.475132 4.60843      0.683378 4.71615      0.661053 2.14026  0.159648  2.16569  0.152619  
1 1 1 50 15 10 o 4.23999  0.0831688 18.0091      0.705269 17.6511      0.943274 18.463       1.06206  4.19461  0.112439  4.28854  0.123826  
1 1 1 50 15 11 o 7.17018  0.0801684 51.5024      1.14964  52.084       1.77386  51.0811      1.5096   7.20207  0.12315   7.13624  0.10577   
1 1 1 50 15 12 o 7.22727  0.0822874 52.3357      1.18943  52.8569      1.74343  51.8819      1.62682  7.25526  0.12015   7.18972  0.113135  
1 1 1 50 15 13 o 4.34585  0.0836941 18.9268      0.727444 18.2655      1.07988  19.4763      0.984273 4.26337  0.126647  4.4048   0.111727  
1 1 1 50 15 14 o 1.64513  0.168055  2.73135      0.552944 2.43126      0.835857 2.96486      0.737338 1.51574  0.286176  1.70879  0.215749  
1 1 1 50 15 15 o 2.14913  0.134687  4.6487       0.578917 4.90929      0.833372 4.40567      0.8048   2.20156  0.189268  2.08506  0.192992  
1 1 1 50 15 16 o 0.675548 0.277529  0.169045     0.601592 0.622408     0.863192 -0.259146    0.838886 0.902718 0.344031  0.686702 0.304781  
1 1 1 50 15 17 o 2.41924  0.140063  5.89678      0.677691 5.03668      0.937899 6.83641      0.980307 2.22532  0.210734  2.59691  0.188745  
1 1 1 50 15 18 o 2.1978   0.153923  4.87628      0.676584 4.65224      0.968068 5.09022      0.945984 2.13478  0.226737  2.23597  0.211538  
1 1 1 50 15 19 o 4.34321  0.093737  18.9428      0.814238 19.6523      1.10193  18.0895      1.20844  4.41674  0.124745  4.23267  0.142751  
1 1 1 50 15 20 o 1.45915  0.227508  2.18534      0.663935 2.07871      0.893978 2.31649      0.991463 1.37819  0.328516  1.45098  0.346026  
1 1 1 50 15 21 o 1.87865  0.193632  3.60513      0.727532 2.44667      1.01235  4.84251      1.04626  1.48661  0.346557  2.16451  0.241685  
1 1 1 50 15 22 o 0.463018 0.225111  -1.10831     0.661734 -1.07209     0.889588 -1.15319     0.990132 0.579511 0.276668  0.614126 0.292882  
1 1 1 50 15 23 o 2.42732  0.15337   5.98476      0.744554 6.22548      0.997902 5.68246      1.11826  2.46138  0.202712  2.33937  0.239009  
1 1 1 50 15 24 o 1.05342  0.313927  1.2158       0.710472 1.59166      0.978862 0.797354     1.03283  1.19291  0.371157  0.97023  0.374576  
1 1 1 50 15 25 o 0.700575 0.296703  0.113153     0.719819 -0.609003    0.968942 1.00255      1.0753   0.671037 0.309425  1.03017  0.386247  
1 1 1 50 15 26 o 1.16128  0.31738   1.51818      0.757924 1.37794      1.03768  1.67854      1.10967  1.12021  0.384027  1.2125   0.397135  
1 1 1 50 15 27 o 2.22792  0.180265  5.135        0.803232 5.64336      1.12268  4.60189      1.14968  2.30418  0.243619  2.06192  0.278789  
1 1 1 50 15 28 o 1.06961  0.331468  1.32538      0.781756 1.54673      1.09004  1.09096      1.12179  1.14387  0.393453  1.02513  0.391752  
1 1 1 50 15 29 o 0.64064  0.287266  -0.166556    0.763629 0.230261     1.05275  -0.607175    1.10934  0.814012 0.352116  0.701088 0.326249  
1 1 1 50 15 30 o 1.02241  0.34257   1.26191      0.82569  1.7408       1.13256  0.718615     1.20633  1.15817  0.400795  0.92326  0.387209  
1 1 1 50 15 31 o 0.726951 0.311445  0.257502     0.809173 -0.846324    1.08577  1.63644      1.21355  0.645269 0.307458  1.10784  0.411323  
1 1 1 50 15 32 o 0.556606 0.270926  -1.1764      0.963351 0.823994     1.31514  -3.49246     1.41511  0.90654  0.392868  0.543944 0.27444   
1 1 1 50 15 33 o 2.35087  0.229346  6.33507      1.07832  5.4325       1.49379  7.31718      1.55821  1.93664  0.399307  2.37485  0.328064  
1 1 1 50 15 34 o 1.09232  0.38264   2.03131      1.03495  1.83074      1.35667  2.31052      1.60068  0.986252 0.411953  1.03729  0.44101   
1 1 1 50 15 35 o 1.09724  0.399     2.24276      1.13467  2.0031       1.53664  2.53013      1.68262  0.968779 0.422299  1.02757  0.444835  
1 1 1 50 16 0  o 1.15522  0.34391   1.65658      0.690527 1.65658      0.690527 1.65658      0.690527 1.23032  0.219253  ?        ?         
1 1 1 50 16 1  o 6.95884  0.0722931 48.4771      1.00615  47.4814      1.40261  49.5327      1.44412  6.88341  0.101883  7.03041  0.102705  
1 1 1 50 16 2  f 11.5576  0.0940615 133.822      2.17426  133.593      3.07685  134.05       3.07288  11.5373  0.133344  11.5571  0.132943  
1 1 1 50 16 3  o 1.32832  0.174428  1.77559      0.463393 1.57489      0.640233 1.99642      0.671561 1.2223   0.26916   1.38284  0.252165  
1 1 1 50 16 4  o 5.03462  0.072448  25.3754      0.729496 25.6331      1.03926  25.1251      1.02423  5.05734  0.102748  5.00702  0.102279  
1 1 1 50 16 5  o 3.32825  0.0810738 11.0929      0.539668 10.9716      0.760477 11.2161      0.765966 3.30767  0.114957  3.34435  0.114516  
1 1 1 50 16 6  o 3.4798   0.078407  12.1256      0.545681 12.3966      0.765887 11.8462      0.777666 3.51626  0.108907  3.43696  0.113133  
1 1 1 50 16 7  o 7.00918  0.0781005 49.1981      1.09484  49.9555      1.53587  48.4157      1.56111  7.05825  0.1088    6.94799  0.112343  
1 1 1 50 16 8  o 3.38873  0.104162  11.5139      0.705957 10.4587      1.06888  12.3304      0.940198 3.2232   0.165811  3.50378  0.134169  
1 1 1 50 16 9  o 1.53522  0.200551  2.38152      0.61578  2.7983       0.915768 2.03756      0.831942 1.63157  0.291115  1.38415  0.308502  
1 1 1 50 16 10 o 3.26965  0.1046    10.7231      0.684009 10.592       1.00392  10.8366      0.934477 3.24389  0.154741  3.28277  0.142331  
1 1 1 50 16 11 o 2.29228  0.147212  5.28758      0.6749   4.10589      0.99749  6.28526      0.916545 2.00853  0.248313  2.49494  0.183681  
1 1 1 50 16 12 o 4.46575  0.0946351 19.9975      0.845234 19.7058      1.2286   20.2596      1.16465  4.42611  0.13879   4.48954  0.129707  
1 1 1 50 16 13 o 5.71389  0.0748935 32.7078      0.855867 31.6066      1.25603  33.6623      1.16937  5.61045  0.111937  5.79223  0.100943  
1 1 1 50 16 14 o 1.11656  0.241213  1.32015      0.52337  2.07507      0.803074 0.762806     0.690033 1.39353  0.296955  0.899845 0.312704  
1 1 1 50 16 15 o 4.10736  0.0858276 16.915       0.705049 17.3161      1.03565  16.5685      0.962536 4.14959  0.12479   4.06013  0.118535  
1 1 1 50 16 16 o 0.602827 0.262199  -0.0793286   0.589812 -0.275864    0.88438  0.0781162    0.791557 0.703286 0.312439  0.735827 0.31136   
1 1 1 50 16 17 o 3.47419  0.105114  12.1231      0.730372 11.1875      1.00485  13.171       1.06344  3.32962  0.150896  3.61354  0.147147  
1 1 1 50 16 18 o 2.24026  0.149605  5.06867      0.670309 4.2531       0.901395 6.0776       1.00258  2.04024  0.220904  2.44246  0.20524   
1 1 1 50 16 19 o 2.06217  0.163031  4.3095       0.672394 3.46119      0.904087 5.35952      1.00585  1.83261  0.246667  2.28743  0.219864  
1 1 1 50 16 20 o 1.09319  0.292621  1.29528      0.652633 1.19543      0.890069 1.41138      0.959796 1.07181  0.355675  1.14877  0.368978  
1 1 1 50 16 21 o 0.779535 0.309107  0.392602     0.71612  0.0570949    0.987267 0.765126     1.04031  0.799225 0.343266  0.974469 0.375988  
1 1 1 50 16 22 o 0.745417 0.298243  0.33551      0.67263  0.153933     0.903509 0.561262     1.00744  0.786262 0.332674  0.913096 0.365137  
1 1 1 50 16 23 o 0.664222 0.288054  -0.0267569   0.707942 0.568149     0.965485 -0.718568    1.04115  0.898425 0.358074  0.686737 0.318218  
1 1 1 50 16 24 o 3.38989  0.117818  11.6127      0.798779 11.9447      1.10179  11.245       1.15972  3.42249  0.160963  3.31494  0.174923  
1 1 1 50 16 25 o 0.730107 0.301735  0.246006     0.715875 0.21665      0.972537 0.280721     1.0576   0.813825 0.344782  0.853967 0.360554  
1 1 1 50 16 26 o 2.3347   0.169893  5.60003      0.793299 5.54213      1.09401  5.66423      1.15202  2.29322  0.238532  2.31304  0.249029  
1 1 1 50 16 27 o 1.22119  0.313929  1.71937      0.770846 2.86895      1.06238  0.441252     1.1202   1.56375  0.34868   0.885772 0.372384  
1 1 1 50 16 28 o 0.803938 0.318074  0.526089     0.756713 0.650228     1.06044  0.397296     1.08014  0.9078   0.369954  0.859454 0.363696  
1 1 1 50 16 29 o 1.69036  0.237923  3.10054      0.804351 3.55174      1.08836  2.55749      1.19401  1.73469  0.325706  1.40673  0.403375  
1 1 1 50 16 30 o 1.89936  0.22373   3.93622      0.849887 3.16665      1.14348  4.88604      1.27035  1.57192  0.369537  2.0374   0.311759  
1 1 1 50 16 31 o 0.543407 0.26004   -0.789417    0.797655 0.315063     1.08831  -2.07138     1.1725   0.804422 0.352978  0.561744 0.27833   
1 1 1 50 16 32 o 1.13088  0.370096  1.82949      0.963712 2.04794      1.22987  1.48199      1.55116  1.14589  0.415528  1.01156  0.432224  
1 1 1 50 16 33 o 0.97184  0.364099  1.35993      0.955158 1.81874      1.3709   0.927075     1.33155  1.0477   0.423032  0.889122 0.390289  
1 1 1 50 16 34 o 0.895965 0.358321  1.30314      0.970309 1.16295      1.28371  1.48999      1.482    0.857556 0.37927   0.901335 0.402276  
1 1 1 50 16 35 o 0.696028 0.326433  0.212251     1.15309  1.34575      1.52623  -1.29521     1.76008  0.85073  0.390676  0.662301 0.330087  
1 1 1 50 17 0  o 2.0242   0.179405  4.20687      0.713181 4.20687      0.713181 4.20687      0.713181 2.03802  0.124794  ?        ?         
1 1 1 50 17 1  o 3.05285  0.0901615 9.33628      0.550499 9.5283       0.75405  9.11715      0.805546 3.08184  0.122338  3.01368  0.133648  
1 1 1 50 17 2  o 4.61042  0.0736293 21.2812      0.678924 21.8653      0.977148 20.736       0.943998 4.6705   0.104609  4.54837  0.103773  
1 1 1 50 17 3  o 1.86626  0.125914  3.49517      0.469976 3.16901      0.662595 3.82541      0.666717 1.77336  0.186819  1.94959  0.170989  
1 1 1 50 17 4  o 4.86419  0.0716174 23.6878      0.696721 23.5111      0.988805 23.862       0.981855 4.84313  0.102083  4.87931  0.100614  
1 1 1 50 17 5  o 6.05794  0.0742441 36.7458      0.899532 34.9734      1.38501  38.0389      1.183    5.90438  0.117286  6.16096  0.0960079 
1 1 1 50 17 6  o 6.9012   0.0735958 47.689       1.0158   46.8062      1.41271  48.634       1.46165  6.83269  0.103379  6.96455  0.104935  
1 1 1 50 17 7  o 2.80197  0.114595  7.8772       0.642184 7.17417      0.932435 8.51157      0.885734 2.66819  0.174732  2.90895  0.152243  
1 1 1 50 17 8  f 5.42528  0.0847767 29.4905      0.919875 29.779       1.3906   29.266       1.22659  5.4452   0.12769   5.40053  0.113562  
1 1 1 50 17 9  o 7.72395  0.0836055 59.7766      1.29153  61.3212      1.8579   58.3322      1.79664  7.81541  0.118861  7.6228   0.117846  
1 1 1 50 17 10 o 2.19618  0.144374  4.85267      0.634143 3.94708      0.887976 5.79524      0.90592  1.97222  0.22512   2.39489  0.189136  
1 1 1 50 17 11 o 1.57728  0.193797  2.5165       0.611342 2.43097      0.882472 2.59543      0.847713 1.51316  0.302291  1.56975  0.280093  
1 1 1 50 17 12 o 1.48788  0.207258  2.24462      0.616751 2.43416      0.896175 2.07407      0.850084 1.51144  0.307147  1.39165  0.313022  
1 1 1 50 17 13 o 4.28426  0.0987025 18.4177      0.845735 18.6966      1.15137  18.0908      1.24637  4.31039  0.133558  4.23715  0.147076  
1 1 1 50 17 14 o 2.16741  0.161171  4.74148      0.698646 5.8916       1.0843   3.92506      0.913562 2.40524  0.225404  1.96202  0.232812  
1 1 1 50 17 15 o 0.601314 0.253365  0.0534423    0.520498 -0.00270832  0.781012 0.0983078    0.698131 0.712995 0.305739  0.700135 0.294141  
1 1 1 50 17 16 o 2.3733   0.133746  5.67254      0.634841 5.61864      0.910004 5.72365      0.886075 2.35293  0.193377  2.37604  0.18646   
1 1 1 50 17 17 o 1.55083  0.217697  2.45295      0.675222 2.60561      0.89546  2.25174      1.02802  1.56183  0.297374  1.43456  0.358852  
1 1 1 50 17 18 o 1.66528  0.196359  2.82655      0.653988 2.70877      0.872831 2.97731      0.987505 1.59247  0.284286  1.66325  0.308432  
1 1 1 50 17 19 o 4.34602  0.0910338 18.9707      0.79127  18.3059      1.12018  19.6328      1.11787  4.25905  0.131506  4.41215  0.126681  
1 1 1 50 17 20 o 4.38815  0.101167  19.3701      0.887874 17.9336      1.17007  21.3201      1.36324  4.21125  0.138922  4.58803  0.148565  
1 1 1 50 17 21 o 1.32175  0.266205  1.88118      0.679006 1.15574      0.936025 2.68693      0.986479 1.06102  0.364634  1.56276  0.326267  
1 1 1 50 17 22 o 1.41002  0.253988  2.13151      0.690125 2.74819      0.934392 1.39135      1.02367  1.58568  0.305539  1.13867  0.381436  
1 1 1 50 17 23 o 2.08082  0.17131   4.42529      0.712933 5.0863       0.98055  3.68397      1.03842  2.21493  0.22135   1.86592  0.278258  
1 1 1 50 17 24 o 1.09691  0.312996  1.33309      0.720613 1.99852      0.966499 0.500118     1.08135  1.32542  0.356695  0.911321 0.372849  
1 1 1 50 17 25 o 2.12907  0.176623  4.65756      0.752087 4.35638      1.01928  5.01752      1.11429  2.03156  0.25086   2.178    0.255805  
1 1 1 50 17 26 o 0.584684 0.269746  -0.463813    0.737618 -1.67986     1.00071  0.982905     1.0915   0.553884 0.270854  1.0069   0.385949  
1 1 1 50 17 27 o 0.819057 0.319581  0.573749     0.75596  0.644255     1.02643  0.490169     1.11755  0.902434 0.365358  0.89091  0.373121  
1 1 1 50 17 28 o 1.27981  0.301321  1.89903      0.759377 2.88416      1.05827  0.853371     1.09029  1.55158  0.349434  0.954473 0.380482  
1 1 1 50 17 29 o 1.12388  0.334371  1.5398       0.806477 1.26261      1.05872  1.92298      1.2448   1.0324   0.384014  1.20616  0.419918  
1 1 1 50 17 30 o 1.03038  0.344005  1.32442      0.832619 1.2884       1.09662  1.37346      1.2794   1.02243  0.388318  1.05038  0.414216  
1 1 1 50 17 31 o 1.1254   0.36515   1.72649      0.93826  2.63449      1.27844  0.666459     1.38133  1.32288  0.425939  0.897382 0.395598  
1 1 1 50 17 32 o 1.06536  0.36679   1.63964      0.947492 1.77606      1.35768  1.51012      1.32291  1.05723  0.423421  1.00547  0.412054  
1 1 1 50 17 33 o 0.960615 0.371581  1.47648      1.01741  1.4567       1.38791  1.49946      1.4958   0.936804 0.404753  0.941092 0.413377  
1 1 1 50 17 34 o 0.863685 0.360375  1.20877      1.03652  1.22813      1.43391  1.18758      1.50004  0.85852  0.38886   0.85378  0.390078  
1 1 1 50 17 35 o 0.799194 0.374676  1.41913      1.5139   2.60414      2.2943   0.505258     2.01479  0.840753 0.410897  0.728873 0.361852  
1 1 1 50 18 0  o 0.622779 0.362158  0.49761      0.728447 0.49761      0.728447 0.49761      0.728447 0.585874 0.317618  ?        ?         
1 1 1 50 18 1  o 2.8432   0.100244  8.10287      0.570027 8.03476      0.78614  8.17838      0.827747 2.82817  0.138984  2.85275  0.145079  
1 1 1 50 18 2  o 2.42618  0.106518  5.90218      0.516865 5.40245      0.723817 6.42213      0.738315 2.31763  0.156154  2.52781  0.146039  
1 1 1 50 18 3  o 1.58358  0.142113  2.51993      0.450092 3.21299      0.617845 1.73621      0.65701  1.78605  0.172964  1.2839   0.264908  
1 1 1 50 18 4  o 2.95717  0.0846152 8.76037      0.500444 9.38892      0.710493 8.14149      0.705008 3.05905  0.11613   2.84795  0.123775  
1 1 1 50 18 5  o 1.02606  0.203832  1.10023      0.403427 1.07794      0.523043 1.13296      0.633861 1.01041  0.257913  1.0386   0.292657  
1 1 1 50 18 6  o 5.65809  0.0814482 32.0706      0.921682 32.4458      1.33103  31.7249      1.27753  5.68583  0.117048  5.6229   0.113601  
1 1 1 50 18 7  o 5.1698   0.0824562 26.7773      0.852564 27.0314      1.24856  26.5554      1.16699  5.18884  0.120312  5.14409  0.11343   
1 1 1 50 18 8  o 4.64792  0.0892946 21.6525      0.830068 20.8978      1.22363  22.2959      1.12977  4.55974  0.134177  4.71223  0.119876  
1 1 1 50 18 9  o 7.07978  0.0852854 50.2318      1.2076   50.2739      1.68169  50.187       1.73518  7.07563  0.118837  7.06852  0.12274   
1 1 1 50 18 10 o 3.48148  0.099696  12.1582      0.69418  11.2738      1.01327  12.9404      0.952946 3.34569  0.151429  3.5874   0.132818  
1 1 1 50 18 11 o 2.96388  0.112331  8.82089      0.665873 8.27548      0.968098 9.31058      0.917324 2.86316  0.169061  3.03986  0.150883  
1 1 1 50 18 12 o 1.87671  0.168832  3.55743      0.633699 4.26687      0.914002 2.90073      0.879373 2.04762  0.223186  1.68289  0.261268  
1 1 1 50 18 13 o 2.1538   0.148075  4.67541      0.637847 4.46861      0.915189 4.87075      0.889465 2.0959   0.218329  2.19069  0.20301   
1 1 1 50 18 14 o 4.71424  0.0949579 22.2975      0.895309 21.7307      1.29617  22.8147      1.23814  4.64495  0.139525  4.76163  0.130012  
1 1 1 50 18 15 o 3.66319  0.109828  13.483       0.804638 14.0832      1.10622  12.8086      1.17254  3.73659  0.148025  3.55986  0.164688  
1 1 1 50 18 16 o 1.05463  0.288417  1.18717      0.625659 1.13015      0.967037 1.22822      0.820533 1.0728   0.370437  1.0835   0.340359  
1 1 1 50 18 17 o 1.12436  0.27966   1.36322      0.627046 2.02689      0.912194 0.768688     0.863373 1.36043  0.336654  0.93833  0.347227  
1 1 1 50 18 18 o 3.87954  0.103366  15.133       0.802026 14.5284      1.11439  15.7827      1.15518  3.7907   0.146991  3.95118  0.146181  
1 1 1 50 18 19 o 2.91006  0.128259  8.54793      0.746481 8.75479      0.982722 8.26576      1.14776  2.93538  0.167393  2.84201  0.201927  
1 1 1 50 18 20 o 3.73803  0.106377  14.068       0.795282 13.4936      1.10437  14.6868      1.1462   3.64819  0.151358  3.80634  0.150564  
1 1 1 50 18 21 o 1.22738  0.280284  1.64108      0.6732   1.70426      0.93526  1.57315      0.969774 1.23692  0.357761  1.19373  0.369031  
1 1 1 50 18 22 o 1.15053  0.304821  1.46522      0.712752 1.36039      0.964631 1.59128      1.05776  1.11964  0.370273  1.19696  0.387641  
1 1 1 50 18 23 o 1.04065  0.311648  1.18555      0.699035 0.9216       0.936633 1.51742      1.05027  0.982715 0.362005  1.17209  0.386359  
1 1 1 50 18 24 o 1.86426  0.200462  3.59631      0.747425 2.70664      0.989429 4.77875      1.14067  1.54988  0.329131  2.12092  0.268909  
1 1 1 50 18 25 o 2.21627  0.173676  5.05282      0.769827 4.31215      1.03479  5.97084      1.15203  2.01444  0.256842  2.37819  0.242206  
1 1 1 50 18 26 o 1.27852  0.298829  1.86246      0.751154 2.36226      1.01877  1.26709      1.11192  1.40957  0.360039  1.07511  0.394584  
1 1 1 50 18 27 o 1.7448   0.219538  3.2293       0.766099 2.50382      1.04352  4.07744      1.1283   1.44129  0.362159  1.917    0.294287  
1 1 1 50 18 28 f 0.873935 0.326967  0.78385      0.769746 -0.570435    1.04095  2.4179       1.14342  0.67914  0.316035  1.37622  0.394774  
1 1 1 50 18 29 o 1.21619  0.328516  1.8276       0.817938 2.72656      1.06814  0.553126     1.27181  1.45968  0.366182  0.896907 0.387484  
1 1 1 50 18 30 o 1.88952  0.219191  3.90579      0.828331 2.67629      1.06863  5.75647      1.31107  1.42813  0.370894  2.21663  0.295735  
1 1 1 50 18 31 o 0.749108 0.328738  0.308993     0.944149 2.69432      1.29248  -2.42024     1.38252  1.31087  0.428601  0.588828 0.29334   
1 1 1 50 18 32 o 1.03744  0.365145  1.56964      0.943434 0.418113     1.3635   2.6273       1.30674  0.823801 0.375022  1.2531   0.430814  
1 1 1 50 18 33 o 0.792582 0.339906  0.802185     0.965519 3.26537      1.31922  -2.0393      1.41691  1.31317  0.433012  0.583984 0.29177   
1 1 1 50 18 34 o 0.911877 0.38697   1.53313      1.22845  1.19576      1.92436  1.76518      1.59595  0.854713 0.407784  0.920391 0.41391   
1 1 1 50 19 0  o 6.67177  0.110062  44.6182      1.46771  44.6182      1.46771  44.6182      1.46771  6.67574  0.0777551 ?        ?         
1 1 1 50 19 1  o 3.77238  0.0844923 14.2571      0.637474 13.8936      0.847269 14.7313      0.967745 3.72122  0.113843  3.83029  0.126328  
1 1 1 50 19 2  o 3.13087  0.0888614 9.82255      0.556426 9.83947      0.760596 9.80307      0.81615  3.1308   0.12147   3.12407  0.130623  
1 1 1 50 19 3  o 0.760418 0.251816  0.560785     0.446153 0.810183     0.606806 0.267316     0.658239 0.903196 0.293674  0.731828 0.294106  
1 1 1 50 19 4  o 1.99878  0.113934  4.00931      0.455456 4.02818      0.626317 3.98813      0.663515 2.0004   0.156548  1.98954  0.166751  
1 1 1 50 19 5  o 3.20318  0.0819173 10.2796      0.524792 10.8156      0.688234 9.53507      0.81116  3.28372  0.104795  3.0805   0.13166   
1 1 1 50 19 6  o 5.61831  0.0823327 31.6266      0.925141 31.3986      1.34282  31.8326      1.2764   5.59202  0.120066  5.63178  0.113321  
1 1 1 50 19 7  o 1.76215  0.169063  3.13129      0.595829 3.53275      0.906007 2.82534      0.790927 1.86352  0.24309   1.66721  0.237201  
1 1 1 50 19 8  o 5.99745  0.0859953 36.0504      1.0315   35.627       1.4365   36.5011      1.48211  5.95566  0.120599  6.02777  0.12294   
1 1 1 50 19 9  o 5.26488  0.0866958 27.7849      0.912887 26.7866      1.31709  28.7079      1.26643  5.16218  0.127572  5.346    0.118446  
1 1 1 50 19 10 o 3.79166  0.0940005 14.4191      0.712837 14.1251      1.03536  14.684       0.982891 3.74628  0.138185  3.82132  0.128606  
1 1 1 50 19 11 o 1.94885  0.15861   3.8321       0.618212 4.48888      0.909071 3.26704      0.843208 2.10113  0.216329  1.78976  0.235564  
1 1 1 50 19 12 o 5.13673  0.0892087 26.4614      0.916481 25.9562      1.27694  26.998       1.31615  5.08022  0.125678  5.18085  0.12702   
1 1 1 50 19 13 o 3.11467  0.116572  9.7494       0.726163 10.2922      1.02257  9.1972       1.03138  3.19308  0.160124  3.01646  0.170959  
1 1 1 50 19 14 o 3.97899  0.110837  15.9091      0.882038 15.7157      1.19524  16.1404      1.30702  3.94648  0.151431  3.99648  0.163522  
1 1 1 50 19 15 f 2.20954  0.177724  4.94416      0.785377 3.98895      1.08575  5.99247      1.13743  1.96697  0.275996  2.4209   0.234919  
1 1 1 50 19 16 o 2.4108   0.162332  5.88458      0.782701 4.61206      1.06866  7.35709      1.14957  2.11593  0.252528  2.68347  0.214195  
1 1 1 50 19 17 o 1.88146  0.159115  3.5853       0.598739 3.44733      0.925652 3.68456      0.785092 1.82725  0.253291  1.89908  0.206703  
1 1 1 50 19 18 o 2.08137  0.154594  4.38977      0.643534 4.85         0.97607  4.03588      0.855912 2.1718   0.224715  1.98328  0.215782  
1 1 1 50 19 19 o 2.97294  0.133062  8.9307       0.791172 8.26013      1.15303  9.52734      1.08761  2.8397   0.203019  3.05823  0.177817  
1 1 1 50 19 20 o 3.51855  0.112832  12.4798      0.794008 12.6641      1.13925  12.3057      1.10722  3.52946  0.161392  3.47996  0.159086  
1 1 1 50 19 21 o 0.687139 0.287451  0.147697     0.662097 0.619084     0.896416 -0.418157    0.982139 0.893117 0.348102  0.70788  0.321165  
1 1 1 50 19 22 o 1.68136  0.208443  2.91968      0.700935 2.2088       0.943058 3.79712      1.04773  1.40051  0.339688  1.8947   0.276489  
1 1 1 50 19 23 o 1.7223   0.221312  3.08216      0.762331 2.89994      1.04646  3.2882       1.1128   1.60712  0.336421  1.71448  0.336525  
1 1 1 50 19 24 o 0.519258 0.248028  -0.857238    0.717257 -0.869369    0.959682 -0.841886    1.07958  0.627772 0.295138  0.679091 0.318016  
1 1 1 50 19 25 o 1.56542  0.250081  2.61303      0.782964 3.27683      1.05531  1.80022      1.16777  1.6989   0.322262  1.23207  0.407399  
1 1 1 50 19 26 o 2.86883  0.140855  8.42965      0.808179 8.96171      1.09961  7.80461      1.19182  2.93157  0.187547  2.71528  0.219466  
1 1 1 50 19 27 o 2.01642  0.189643  4.2624       0.764802 3.62956      1.03487  5.02399      1.13528  1.80783  0.286219  2.14223  0.264975  
1 1 1 50 19 28 o 1.1506   0.335099  1.61484      0.817766 2.29654      1.0425   0.524376     1.31852  1.34424  0.374202  0.913759 0.394647  
1 1 1 50 19 29 o 0.773096 0.317373  0.471377     0.786158 0.802479     1.02998  0.00923888   1.21683  0.900129 0.365347  0.794885 0.359223  
1 1 1 50 19 30 o 1.36497  0.320059  2.34852      0.859512 1.87397      1.1501   2.94886      1.29357  1.14482  0.403138  1.41528  0.423967  
1 1 1 50 19 31 o 1.00402  0.356938  1.41268      0.903537 3.71127      1.28445  -0.838892    1.27124  1.58234  0.404329  0.671179 0.322887  
1 1 1 50 19 32 o 0.655167 0.302499  -0.0889421   0.929969 -0.39579     1.31673  0.216456     1.31362  0.705928 0.336921  0.773236 0.357969  
1 1 1 50 19 33 o 1.00269  0.385401  1.85483      1.09085  0.032837     1.65892  3.24278      1.44791  0.748407 0.361959  1.21455  0.449617  
1 1 1 50 19 34 o 0.74041  0.349851  0.537168     1.37986  1.3192       2.38227  0.142333     1.69272  0.818795 0.403514  0.726507 0.354614  
1 1 1 50 20 0  o 0.782719 0.402067  0.923731     0.793103 0.923731     0.793103 0.923731     0.793103 0.800037 0.344067  ?        ?         
1 1 1 50 20 1  o 3.5218   0.0860509 12.4289      0.606108 13.0727      0.870656 11.8234      0.844283 3.6083   0.120646  3.43128  0.123027  
1 1 1 50 20 2  o 2.78338  0.100744  7.76947      0.560819 8.41453      0.754879 6.97488      0.837825 2.89387  0.130427  2.63165  0.159183  
1 1 1 50 20 3  o 5.28761  0.0744625 28.0033      0.787458 27.7337      1.10993  28.2764      1.11738  5.25797  0.105547  5.30921  0.10523   
1 1 1 50 20 4  o 5.73725  0.0781951 32.9746      0.89725  33.3165      1.29641  32.6602      1.24307  5.76152  0.112506  5.70514  0.108943  
1 1 1 50 20 5  o 6.02661  0.083444  36.3951      1.00577  37.3024      1.459    35.5735      1.38837  6.09471  0.119694  5.95243  0.116622  
1 1 1 50 20 6  o 3.9062   0.0940321 15.2994      0.734616 14.7728      1.04616  15.8116      1.03179  3.8327   0.136479  3.9662   0.130073  
1 1 1 50 20 7  o 0.710648 0.286648  0.24403      0.628538 -0.0407509   0.874306 0.548633     0.904223 0.747147 0.322009  0.89753  0.349657  
1 1 1 50 20 8  o 8.58145  0.0939333 73.8522      1.61217  74.3502      2.25693  73.3334      2.30369  8.59831  0.131242  8.53795  0.134909  
1 1 1 50 20 9  o 5.60997  0.0865924 31.5526      0.971562 30.8479      1.35926  32.2887      1.38922  5.5397   0.122684  5.66761  0.122558  
1 1 1 50 20 10 o 1.61112  0.1976    2.63232      0.636712 3.21234      0.90689  2.0685       0.894139 1.77135  0.255988  1.38494  0.327541  
1 1 1 50 20 11 o 1.74756  0.184095  3.09107      0.643435 3.07387      0.911725 3.10814      0.908194 1.73167  0.263249  1.74171  0.260719  
1 1 1 50 20 12 o 1.23563  0.278646  1.62989      0.672205 2.05193      0.978782 1.25313      0.924797 1.37501  0.353907  1.10731  0.362547  
1 1 1 50 20 13 o 5.1642   0.0977426 26.7696      1.00953  27.069       1.4988   26.521       1.36582  5.18143  0.144632  5.13194  0.133071  
1 1 1 50 20 14 o 2.00434  0.19402   4.07823      0.777766 6.01308      1.1241   2.3013       1.07725  2.42583  0.231693  1.4498   0.37018   
1 1 1 50 20 15 o 1.68164  0.218138  2.89026      0.733658 2.87749      1.06817  2.90166      1.00942  1.62622  0.339502  1.64058  0.319025  
1 1 1 50 20 16 o 1.42281  0.264743  2.15677      0.725229 1.30644      1.04304  2.9526       1.00906  1.12995  0.385028  1.65317  0.316476  
1 1 1 50 20 17 o 2.19637  0.128635  4.86741      0.565058 5.04767      0.939063 4.76509      0.707468 2.21978  0.211522  2.16722  0.16322   
1 1 1 50 20 18 o 3.14271  0.112563  9.94958      0.707509 10.5832      1.06558  9.45003      0.946168 3.2276   0.165073  3.05275  0.15497   
1 1 1 50 20 19 o 0.927955 0.311197  0.876106     0.681376 0.352774     1.03355  1.2784       0.906185 0.874965 0.362135  1.0962   0.35888   
1 1 1 50 20 20 o 2.66359  0.138603  7.18652      0.738361 5.69642      1.03052  8.75843      1.05844  2.34892  0.219362  2.92739  0.180782  
1 1 1 50 20 21 o 3.90993  0.108302  15.4217      0.846908 14.3233      1.17381  16.6142      1.22312  3.75051  0.156487  4.04168  0.151314  
1 1 1 50 20 22 o 1.74863  0.203612  3.15495      0.712083 2.48352      0.991515 3.87015      1.02331  1.48525  0.340827  1.91547  0.267118  
1 1 1 50 20 23 o 0.931303 0.3189    0.901405     0.715526 0.083207     1.01241  1.71798      1.01141  0.79957  0.345578  1.22387  0.37657   
1 1 1 50 20 24 o 0.666714 0.293369  -0.0802129   0.756074 0.141091     1.0178   -0.352703    1.12939  0.807515 0.347722  0.761118 0.344906  
1 1 1 50 20 25 o 3.43168  0.126649  11.9948      0.869236 11.7758      1.16822  12.2664      1.30105  3.37353  0.173145  3.43167  0.189566  
1 1 1 50 20 26 o 1.74946  0.215116  3.23963      0.752671 3.05606      1.0241   3.45528      1.10995  1.6212   0.32731   1.72141  0.334329  
1 1 1 50 20 27 o 1.85303  0.215117  3.66805      0.797239 3.49106      1.01585  3.95186      1.28639  1.76417  0.287912  1.79538  0.370889  
1 1 1 50 20 28 o 1.76578  0.227144  3.40226      0.80217  2.04971      1.02136  5.57977      1.29593  1.25493  0.376886  2.19881  0.294688  
1 1 1 50 20 29 o 1.82967  0.218235  3.65756      0.798596 3.65343      1.02772  3.66386      1.26876  1.77193  0.290001  1.66404  0.388004  
1 1 1 50 20 30 o 0.837586 0.342508  0.744364     0.912051 0.431701     1.24324  1.10872      1.34209  0.829931 0.369481  0.952884 0.404428  
1 1 1 50 20 31 o 0.899636 0.351312  1.06295      0.91392  0.469239     1.30337  1.63721      1.28185  0.825138 0.372395  1.02786  0.411523  
1 1 1 50 20 32 o 0.873754 0.360481  1.15722      1.01923  1.16003      1.57495  1.1552       1.33693  0.879211 0.400998  0.874876 0.386975  
1 1 1 50 20 33 o 0.842811 0.368925  1.08948      1.18293  0.577384     1.75934  1.51202      1.5981   0.806285 0.385922  0.897926 0.408026  
1 1 1 50 20 34 o 0.542943 0.273206  -1.77285     1.33736  -5.71166     2.13986  0.751684     1.71314  ?        ?         0.734202 0.358077  
1 1 1 50 21 0  f 2.47531  0.17274   6.2429       0.845606 6.2429       0.845606 6.2429       0.845606 2.48715  0.120855  ?        ?         
1 1 1 50 21 1  o 6.76295  0.0747969 45.8141      1.0117   45.8069      1.4144   45.8216      1.44769  6.75706  0.104661  6.75762  0.107115  
1 1 1 50 21 2  o 3.91005  0.082029  15.3195      0.641476 16.0713      0.888792 14.5021      0.926767 4.0015   0.111057  3.79968  0.121953  
1 1 1 50 21 3  o 3.88662  0.0781656 15.134       0.607601 14.2339      0.859528 16.033       0.859027 3.76532  0.114138  3.99709  0.107456  
1 1 1 50 21 4  o 3.46661  0.0800178 12.0412      0.554781 12.8255      0.789611 11.2765      0.77964  3.57451  0.11045   3.35101  0.116329  
1 1 1 50 21 5  o 3.22663  0.104682  10.4472      0.675539 10.5897      0.989451 10.3229      0.92456  3.24216  0.152591  3.2023   0.144359  
1 1 1 50 21 6  o 1.18866  0.273045  1.50254      0.63583  0.304583     0.91053  2.64267      0.888281 0.837901 0.34236   1.58015  0.292062  
1 1 1 50 21 7  o 2.01924  0.165027  4.11487      0.66646  3.80344      0.967336 4.39628      0.919515 1.92963  0.250653  2.07943  0.221098  
1 1 1 50 21 8  o 3.9112   0.0992021 15.3509      0.775998 17.2236      1.12502  13.6513      1.07177  4.1365   0.135987  3.68086  0.145587  
1 1 1 50 21 9  o 3.14184  0.116601  9.91948      0.732685 9.44304      1.09558  10.305       0.985492 3.0552   0.179297  3.1964   0.154157  
1 1 1 50 21 10 o 2.20647  0.155855  4.91081      0.687778 4.65413      1.02052  5.12442      0.930971 2.13543  0.238948  2.24636  0.207217  
1 1 1 50 21 11 o 2.54941  0.134944  6.54373      0.688053 6.26278      1.00996  6.78706      0.939918 2.48332  0.203349  2.58921  0.181507  
1 1 1 50 21 12 o 0.580131 0.263226  -0.352184    0.659875 -0.491189    0.976401 -0.235318    0.895275 0.705559 0.320163  0.715058 0.316428  
1 1 1 50 21 13 o 1.89546  0.189439  3.64466      0.718148 2.84773      1.08557  4.26485      0.957648 1.62028  0.345243  2.04244  0.234437  
1 1 1 50 21 14 o 1.34144  0.2764    1.92586      0.71619  0.988533     1.03051  2.80155      0.996054 1.04091  0.380076  1.61117  0.320486  
1 1 1 50 21 15 o 0.66384  0.284992  0.000459869  0.679992 -0.702028    0.997991 0.609201     0.929017 0.679315 0.313541  0.910663 0.354492  
1 1 1 50 21 16 o 1.164    0.285588  1.4679       0.660743 0.460653     0.908046 2.60137      0.96326  0.864793 0.346309  1.54466  0.32234   
1 1 1 50 21 17 o 3.26612  0.129687  10.7712      0.847147 10.1498      1.11099  11.6345      1.30941  3.15769  0.175918  3.37432  0.194026  
1 1 1 50 21 18 o 5.34722  0.100516  28.7685      1.07497  25.8853      1.45693  32.2136      1.59257  5.05573  0.144087  5.64141  0.14115   
1 1 1 50 21 19 o 2.54158  0.138451  6.54087      0.703769 5.83009      1.06797  7.08645      0.935665 2.37533  0.224804  2.63481  0.177559  
1 1 1 50 21 20 o 1.70603  0.213849  3.00863      0.729664 2.71766      1.04828  3.28211      1.01627  1.55526  0.346059  1.75856  0.288949  
1 1 1 50 21 21 o 4.12408  0.116427  17.1834      0.960312 16.3219      1.26613  18.3501      1.47352  4.0021   0.158183  4.23519  0.173961  
1 1 1 50 21 22 o 2.42164  0.154036  5.97999      0.746038 5.72291      1.07042  6.22284      1.04034  2.34207  0.228519  2.44916  0.212388  
1 1 1 50 21 23 o 0.663594 0.288355  -0.0162502   0.712086 0.145961     1.01915  -0.170974    0.995355 0.812574 0.348874  0.746136 0.331471  
1 1 1 50 21 24 f 0.888695 0.328865  0.770206     0.774482 1.0188       1.07748  0.504473     1.114    1.01143  0.384687  0.901523 0.374718  
1 1 1 50 21 25 o 1.05226  0.326242  1.27689      0.757183 1.52049      1.02699  0.986747     1.12079  1.1349   0.382053  0.999773 0.389326  
1 1 1 50 21 26 o 2.2372   0.184096  5.23444      0.823719 5.35462      1.10326  5.08306      1.23821  2.22291  0.248157  2.13599  0.289844  
1 1 1 50 21 27 o 1.69889  0.244617  3.16256      0.831156 2.75024      1.05659  3.83188      1.34619  1.48685  0.358883  1.72681  0.39773   
1 1 1 50 21 28 o 2.19316  0.190854  5.13734      0.837146 4.37812      1.09981  6.18313      1.29079  1.95348  0.281501  2.32572  0.277505  
1 1 1 50 21 29 o 0.562354 0.269164  -0.79976     0.855769 -1.51777     1.17577  0.00908956   1.24793  0.601191 0.293895  0.785341 0.357852  
1 1 1 50 21 30 o 1.19658  0.365316  2.04548      0.954367 2.39907      1.44625  1.77275      1.27019  1.18524  0.447176  1.06755  0.414721  
1 1 1 50 21 31 o 0.646747 0.301425  -0.222872    0.951568 -1.56496     1.42019  0.870491     1.28185  0.637519 0.313993  0.870478 0.382515  
1 1 1 50 21 32 o 0.727911 0.327697  0.467482     1.00301  0.352415     1.59142  0.543314     1.29191  0.775653 0.370247  0.77027  0.355985  
1 1 1 50 21 33 o 0.767887 0.351963  0.703024     1.23223  -1.46664     1.92528  2.20848      1.60373  0.674917 0.337458  0.959033 0.424063  
1 1 1 50 22 0  o 7.30591  0.113735  53.5249      1.66097  53.5249      1.66097  53.5249      1.66097  7.31095  0.0803456 ?        ?         
1 1 1 50 22 1  o 3.80889  0.0844302 14.5406      0.64317  13.7987      0.90601  15.2944      0.913192 3.70572  0.122245  3.90218  0.117011  
1 1 1 50 22 2  o 6.26941  0.0755331 39.3776      0.947097 38.2892      1.37307  40.3655      1.30808  6.17539  0.111173  6.3424   0.103122  
1 1 1 50 22 3  o 5.27305  0.0722278 27.8524      0.761723 28.8818      1.08525  26.853       1.0694   5.3651   0.10114   5.17285  0.103366  
1 1 1 50 22 4  o 1.41406  0.164377  2.01758      0.464878 1.66776      0.565016 2.75063      0.817904 1.26072  0.232838  1.6414   0.249149  
1 1 1 50 22 5  o 4.22805  0.0868903 17.9227      0.734753 18.1873      1.07678  17.6921      1.00511  4.25287  0.126594  4.19578  0.119777  
1 1 1 50 22 6  o 3.39278  0.103646  11.555       0.703296 11.3085      1.07248  11.7409      0.931566 3.34747  0.160192  3.41516  0.136387  
1 1 1 50 22 7  o 4.46341  0.0922134 19.9831      0.823172 19.1895      1.22442  20.6376      1.11197  4.36504  0.140253  4.53051  0.12272   
1 1 1 50 22 8  o 0.644485 0.274084  0.026377     0.618576 0.143636     0.958026 -0.0574598   0.810067 0.817572 0.344075  0.714273 0.308922  
1 1 1 50 22 9  o 3.17606  0.108538  10.1304      0.689444 10.3711      1.02221  9.92948      0.933816 3.20556  0.159443  3.13844  0.148771  
1 1 1 50 22 10 o 3.23861  0.109835  10.5369      0.711423 10.5331      1.0937   10.5398      0.936661 3.22776  0.169422  3.23352  0.144836  
1 1 1 50 22 11 o 1.7739   0.184092  3.18908      0.653122 4.21398      0.982512 2.37761      0.874247 2.02923  0.24209   1.48984  0.303926  
1 1 1 50 22 12 o 1.41904  0.231725  2.05731      0.657656 2.13115      0.957234 1.9913       0.905086 1.39952  0.34397   1.3543   0.335464  
1 1 1 50 22 13 o 5.23417  0.0995345 27.5229      1.04196  27.3152      1.43039  27.7577      1.52089  5.20361  0.137442  5.24299  0.14504   
1 1 1 50 22 14 o 1.48126  0.238246  2.25677      0.705808 2.8224       1.05382  1.79662      0.950488 1.60736  0.338446  1.27955  0.35767   
1 1 1 50 22 15 f 0.595375 0.264673  -0.202095    0.635877 -0.671761    0.877372 0.317564     0.922886 0.629884 0.291967  0.835478 0.343573  
1 1 1 50 22 16 o 0.910268 0.309881  0.825506     0.675627 0.227919     0.947045 1.44487      0.964147 0.821255 0.343686  1.15813  0.369595  
1 1 1 50 22 17 o 1.74575  0.205086  3.12477      0.716056 2.59503      0.974866 3.74543      1.05521  1.53601  0.327078  1.89135  0.278957  
1 1 1 50 22 18 o 3.54222  0.125331  12.6742      0.887902 10.1566      1.24509  15.2793      1.26655  3.14728  0.197804  3.87547  0.163406  
1 1 1 50 22 19 o 0.83974  0.296569  0.67868      0.622826 0.435756     0.954018 0.859121     0.822222 0.863611 0.35125   0.944524 0.340025  
1 1 1 50 22 20 o 3.28798  0.11886   10.9261      0.78162  10.6667      1.14571  11.152       1.06903  3.22783  0.177474  3.30701  0.161631  
1 1 1 50 22 21 o 1.58976  0.220135  2.62347      0.699922 2.42077      1.01365  2.80819      0.967629 1.46027  0.350917  1.59234  0.315048  
1 1 1 50 22 22 o 1.23727  0.292237  1.7046       0.712498 1.64382      1.03389  1.75957      0.983262 1.20023  0.3827    1.23769  0.369404  
1 1 1 50 22 23 o 1.99844  0.197092  4.1517       0.787751 4.87047      1.17169  3.55881      1.06415  2.12685  0.275452  1.80903  0.294123  
1 1 1 50 22 24 o 1.26352  0.312544  1.84282      0.786463 2.45978      1.081    1.14905      1.14632  1.42845  0.373996  1.0466   0.39716   
1 1 1 50 22 25 o 0.840368 0.324064  0.642588     0.772584 1.55105      1.01969  -0.581782    1.18378  1.13906  0.380693  0.733249 0.339595  
1 1 1 50 22 26 o 1.91952  0.212775  3.93371      0.81685  4.33183      1.09781  3.43991      1.22264  1.97084  0.278514  1.66525  0.37598   
1 1 1 50 22 27 o 1.23877  0.317951  1.87224      0.79164  2.6477       1.05264  0.862668     1.20108  1.43946  0.364971  0.943687 0.390468  
1 1 1 50 22 28 o 1.11414  0.343063  1.5804       0.839215 1.21753      1.1257   2.0344       1.25914  1.00115  0.390114  1.2019   0.421955  
1 1 1 50 22 29 o 0.700994 0.313676  0.0817115    0.906304 0.956021     1.34162  -0.652173    1.22917  0.928147 0.39944   0.689149 0.327779  
1 1 1 50 22 30 o 0.583764 0.279428  -0.703104    0.922621 -0.465145    1.402    -0.88487     1.22534  0.733187 0.349361  0.652713 0.314736  
1 1 1 50 22 31 o 0.799174 0.343141  0.791978     0.986029 2.10877      1.50055  -0.2087      1.30809  1.02517  0.430989  0.705092 0.336353  
1 1 1 50 22 32 o 0.772063 0.343931  0.706463     1.07873  0.557475     1.57928  0.836771     1.47697  0.790128 0.373783  0.813662 0.377791  
1 1 1 50 22 33 o 0.670092 0.320756  0.246787     1.21588  -1.32894     1.88744  1.36455      1.58967  0.634381 0.319938  0.784194 0.372879  
1 1 1 50 23 0  o 3.76572  0.123945  14.2644      0.931196 14.2644      0.931196 14.2644      0.931196 3.77127  0.0874049 ?        ?         
1 1 1 50 23 1  o 2.8463   0.10056   8.12999      0.572448 8.58554      0.847463 7.7477       0.776332 2.91931  0.145148  2.77393  0.139934  
1 1 1 50 23 2  f 3.33041  0.0854035 11.1202      0.568857 10.5863      0.780079 11.7265      0.831336 3.24535  0.120184  3.41543  0.121703  
1 1 1 50 23 3  o 3.83497  0.0758383 14.7373      0.581676 15.8573      0.861461 13.7989      0.78859  3.97372  0.108395  3.70713  0.106361  
1 1 1 50 23 4  o 4.91706  0.0851449 24.2408      0.837326 24.5719      1.20947  23.936       1.16037  4.9436   0.122327  4.87994  0.118892  
1 1 1 50 23 5  o 5.42132  0.0823723 29.4625      0.893133 29.1389      1.2877   29.7625      1.23982  5.38411  0.119583  5.44273  0.113897  
1 1 1 50 23 6  o 0.646136 0.27322   0.0508754    0.608822 -0.795772    0.930255 0.68523      0.805224 0.640873 0.298433  0.904618 0.335215  
1 1 1 50 23 7  o 6.73541  0.087992  45.4919      1.18532  46.0551      1.73335  44.9972      1.62454  6.76628  0.128087  6.69012  0.121413  
1 1 1 50 23 8  o 3.57407  0.101261  12.8231      0.723827 11.8455      1.0685   13.6521      0.984002 3.42607  0.155937  3.68251  0.133605  
1 1 1 50 23 9  f 2.53378  0.12779   6.46133      0.647582 6.56788      0.968187 6.37507      0.871121 2.54472  0.190234  2.51005  0.173526  
1 1 1 50 23 10 o 2.14062  0.160967  4.62969      0.68914  5.39674      1.0447   4.03879      0.916932 2.29935  0.227173  1.98853  0.230555  
1 1 1 50 23 11 o 6.73574  0.0953097 45.5416      1.28396  46.9707      1.95697  44.4614      1.70135  6.82412  0.143386  6.64511  0.128015  
1 1 1 50 23 12 o 2.62647  0.140776  6.96369      0.739485 7.11618      1.08906  6.83323      1.0073   2.64103  0.20618   2.59085  0.194396  
1 1 1 50 23 13 o 6.80357  0.0979069 46.5121      1.33223  48.5538      1.9485   44.7198      1.82562  6.93373  0.140508  6.6559   0.137143  
1 1 1 50 23 14 o 1.95785  0.182236  3.90079      0.713583 4.08337      1.07338  3.75619      0.955239 1.98241  0.270726  1.90648  0.250524  
1 1 1 50 23 15 o 1.81502  0.183532  3.35795      0.66623  3.4538       0.939594 3.26103      0.94481  1.82394  0.257573  1.7699   0.26691   
1 1 1 50 23 16 o 2.18012  0.162683  4.82815      0.70934  4.51523      0.954994 5.21326      1.05943  2.09248  0.228196  2.2461   0.235837  
1 1 1 50 23 17 o 0.659934 0.287565  -0.0654423   0.711987 0.117622     0.979256 -0.270745    1.03703  0.806143 0.343904  0.755985 0.336981  
1 1 1 50 23 18 o 2.99496  0.13444   9.08242      0.805283 8.41237      1.07388  9.94328      1.21722  2.86569  0.187369  3.11224  0.195554  
1 1 1 50 23 19 o 1.29319  0.23566   1.79018      0.586932 2.69923      0.978351 1.27906      0.733609 1.55806  0.324646  1.07829  0.318466  
1 1 1 50 23 20 o 1.07759  0.295033  1.28013      0.654234 1.0647       0.996358 1.44341      0.867435 1.03368  0.374087  1.13916  0.348381  
1 1 1 50 23 21 o 4.1251   0.107844  17.1895      0.889731 15.3478      1.33599  18.6573      1.19271  3.86769  0.172711  4.28339  0.139225  
1 1 1 50 23 22 o 1.69191  0.21783   2.99125      0.737099 1.98128      1.03979  4.01149      1.04506  1.30121  0.377505  1.93732  0.269718  
1 1 1 50 23 23 o 1.12715  0.323418  1.46489      0.767323 1.3777       1.06246  1.55995      1.10937  1.10169  0.387522  1.15605  0.396997  
1 1 1 50 23 24 f 1.66521  0.238927  2.9693       0.795728 2.55165      1.05377  3.52341      1.21377  1.45694  0.362634  1.71813  0.364304  
1 1 1 50 23 25 o 2.16409  0.185936  4.90736      0.804762 5.82564      1.09626  3.83415      1.18514  2.32571  0.235683  1.79982  0.341603  
1 1 1 50 23 26 o 1.94639  0.213922  4.06993      0.832751 5.39102      1.14836  2.60474      1.20938  2.20241  0.260706  1.40283  0.407175  
1 1 1 50 23 27 o 1.00883  0.348172  1.25784      0.854188 2.87222      1.19086  -0.452979    1.22591  1.4631   0.396924  0.735483 0.342529  
1 1 1 50 23 28 o 0.640187 0.295195  -0.294097    0.881827 -0.685461    1.2772   0.0624198    1.21901  0.708209 0.335554  0.785603 0.356819  
1 1 1 50 23 29 o 0.650916 0.299722  -0.174717    0.905001 0.680824     1.31277  -0.949541    1.24931  0.865449 0.38305   0.656201 0.316758  
1 1 1 50 23 30 o 0.742761 0.326842  0.376157     0.938507 0.32839      1.41053  0.414103     1.25717  0.812304 0.374096  0.802103 0.363666  
1 1 1 50 23 31 o 1.80565  0.29925   4.39298      1.08068  3.02782      1.55172  5.67878      1.50595  1.15043  0.45538   1.83112  0.419931  
1 1 1 50 23 32 f 1.01053  0.398565  2.02347      1.18472  1.98325      1.73573  2.05855      1.62105  0.927181 0.422363  0.946464 0.421617  
1 1 1 50 24 0  o 3.93866  0.117444  15.5926      0.92328  15.5926      0.92328  15.5926      0.92328  3.9437   0.0828548 ?        ?         
1 1 1 50 24 1  o 0.946118 0.263333  0.945012     0.516308 1.41721      0.745701 0.510201     0.715569 1.15101  0.314915  0.823095 0.313366  
1 1 1 50 24 2  o 5.40037  0.0753117 29.2233      0.813421 30.6203      1.17396  27.9333      1.12811  5.52228  0.106293  5.27429  0.106944  
1 1 1 50 24 3  o 1.53616  0.136505  2.37553      0.419387 2.68517      0.577208 2.02927      0.610389 1.62944  0.177119  1.41266  0.216043  
1 1 1 50 24 4  o 5.38656  0.087574  29.0945      0.943445 29.451       1.38081  28.7823      1.29207  5.411    0.127593  5.35085  0.120735  
1 1 1 50 24 5  o 4.00903  0.0926492 16.1227      0.742866 17.2355      1.11497  15.2343      0.996176 4.13776  0.134732  3.8914   0.127997  
1 1 1 50 24 6  o 1.12211  0.277741  1.34593      0.620764 1.02542      0.955911 1.57966      0.816311 1.04128  0.367444  1.21167  0.32859   
1 1 1 50 24 7  o 2.17639  0.152421  4.77973      0.663453 4.61536      1.01187  4.90368      0.878691 2.12488  0.2381    2.19729  0.199948  
1 1 1 50 24 8  o 4.92562  0.0878427 24.3362      0.86536  24.0555      1.27622  24.5752      1.17735  4.88802  0.130546  4.94336  0.119085  
1 1 1 50 24 9  o 3.20428  0.112043  10.3193      0.718035 9.64401      1.07157  10.8696      0.967323 3.08662  0.173583  3.28244  0.147348  
1 1 1 50 24 10 o 2.03191  0.176947  4.18529      0.719083 4.07652      1.11728  4.2622       0.939534 1.98474  0.281468  2.04085  0.230181  
1 1 1 50 24 11 o 4.13798  0.110187  17.2261      0.911905 16.8266      1.29828  17.6151      1.28115  4.07665  0.159233  4.17289  0.153509  
1 1 1 50 24 12 o 0.790848 0.302373  0.475517     0.668579 0.882913     0.977685 0.117654     0.916323 0.997157 0.369399  0.789393 0.334562  
1 1 1 50 24 13 o 7.30737  0.102713  53.6997      1.50113  54.727       2.19525  52.7974      2.05729  7.35385  0.149259  7.22692  0.142335  
1 1 1 50 24 14 o 2.23631  0.158627  5.07333      0.709479 5.43995      1.00574  4.71016      1.00099  2.30092  0.218552  2.13678  0.234228  
1 1 1 50 24 15 f 3.53159  0.116324  12.5729      0.821617 14.4982      1.1036   10.1787      1.23064  3.78365  0.145838  3.15471  0.195049  
1 1 1 50 24 16 o 2.2986   0.162515  5.37157      0.747115 5.79511      1.02508  4.89166      1.09118  2.37229  0.216053  2.16841  0.251607  
1 1 1 50 24 17 o 2.9959   0.131418  9.08139      0.787427 8.58827      1.08057  9.63976      1.14984  2.89632  0.186542  3.06818  0.187381  
1 1 1 50 24 18 o 2.50501  0.156638  6.39014      0.784759 5.27125      1.04446  7.84063      1.18921  2.25121  0.231978  2.75265  0.216011  
1 1 1 50 24 19 o 2.58469  0.155836  6.80455      0.805576 6.39986      1.09843  7.27554      1.185    2.48377  0.221122  2.64708  0.223831  
1 1 1 50 24 20 o 2.48482  0.137359  6.27263      0.682622 6.62274      1.0598   6.02438      0.892391 2.52713  0.209684  2.42008  0.184372  
1 1 1 50 24 21 o 3.17866  0.129875  10.2563      0.825655 10.2971      1.17896  10.2169      1.15667  3.15999  0.186544  3.14913  0.183649  
1 1 1 50 24 22 o 1.48159  0.271278  2.42533      0.773908 1.95665      1.01957  3.06247      1.18875  1.28447  0.374194  1.60656  0.376202  
1 1 1 50 24 23 o 1.73529  0.229595  3.20424      0.796827 3.55711      1.07631  2.77627      1.18532  1.76352  0.316663  1.50535  0.390467  
1 1 1 50 24 24 o 1.29111  0.301583  1.92653      0.76544  2.68243      1.02136  0.958008     1.15611  1.49945  0.34715   0.991895 0.392928  
1 1 1 50 24 25 f 1.77646  0.228013  3.40644      0.810112 2.48853      1.12168  4.40732      1.17128  1.3969   0.38792   1.97081  0.297156  
1 1 1 50 24 26 o 0.61107  0.282831  -0.403455    0.819436 -0.363418    1.13838  -0.446508    1.18048  0.724353 0.334534  0.725742 0.337269  
1 1 1 50 24 27 o 1.17205  0.350703  1.76889      0.885469 1.33765      1.30435  2.13751      1.20592  1.03687  0.415124  1.23503  0.414001  
1 1 1 50 24 28 o 0.864512 0.342497  0.867607     0.87846  0.961504     1.28228  0.784563     1.2059   0.922579 0.393553  0.88317  0.379349  
1 1 1 50 24 29 o 1.70018  0.275292  3.49872      0.936093 3.03465      1.34129  3.93939      1.30704  1.35816  0.436182  1.62943  0.402834  
1 1 1 50 24 30 o 0.81092  0.34842   0.837254     1.0178   0.141513     1.46653  1.48378      1.41371  0.764031 0.360851  0.930775 0.405401  
1 1 1 50 24 31 o 0.832456 0.354223  1.05568      1.03422  0.728876     1.42072  1.42407      1.50843  0.797034 0.370246  0.883573 0.399594  
1 1 1 50 24 32 o 0.92636  0.389236  1.97657      1.22278  1.60485      1.91975  2.23033      1.58615  0.809804 0.391259  0.895597 0.406843  
1 1 1 50 25 0  o 3.90154  0.123456  15.3105      0.961156 15.3105      0.961156 15.3105      0.961156 3.9072   0.0870704 ?        ?         
1 1 1 50 25 1  o 4.43148  0.0798331 19.6845      0.707557 19.8619      1.03497  19.5289      0.969504 4.44541  0.116409  4.40918  0.109941  
1 1 1 50 25 2  o 6.23463  0.0795928 38.9629      0.992463 38.4982      1.42978  39.3951      1.37872  6.18914  0.115507  6.26225  0.110082  
1 1 1 50 25 3  o 3.97252  0.0806603 15.82        0.640849 16.2216      0.850728 15.293       0.974406 4.01902  0.105838  3.89902  0.124955  
1 1 1 50 25 4  o 0.976814 0.294168  0.998092     0.621652 0.605287     0.913112 1.33744      0.848714 0.911154 0.35211   1.12564  0.344673  
1 1 1 50 25 5  o 3.99419  0.0929709 16.0081      0.742687 17.0114      1.11111  15.1978      0.99852  4.10965  0.135184  3.88576  0.128485  
1 1 1 50 25 6  o 2.3726   0.136596  5.67107      0.648175 5.11701      0.956127 6.14223      0.881705 2.24175  0.213254  2.4626   0.179019  
1 1 1 50 25 7  o 2.20178  0.147789  4.89043      0.6508   4.12636      0.944177 5.58201      0.898277 2.00894  0.234994  2.34523  0.191512  
1 1 1 50 25 8  o 1.90827  0.171116  3.68669      0.653071 3.64692      0.969677 3.71971      0.883492 1.88321  0.257454  1.90691  0.231655  
1 1 1 50 25 9  o 0.836722 0.304405  0.616332     0.660498 0.866635     0.992609 0.417437     0.884824 0.998612 0.371754  0.849725 0.341196  
1 1 1 50 25 10 o 4.271    0.102478  18.3373      0.875365 18.0023      1.23571  18.6748      1.24021  4.22046  0.146395  4.29923  0.144237  
1 1 1 50 25 11 o 4.32209  0.109038  18.7935      0.942543 18.1518      1.35841  19.3893      1.30888  4.23281  0.160462  4.37847  0.149468  
1 1 1 50 25 12 o 1.16873  0.294347  1.48442      0.688128 0.308221     0.994866 2.56328      0.952814 0.856981 0.355029  1.53263  0.321156  
1 1 1 50 25 13 o 5.39028  0.0942532 29.2039      1.0161   29.7597      1.3825   28.551       1.49847  5.42986  0.127305  5.31284  0.141023  
1 1 1 50 25 14 o 3.4801   0.116677  12.2097      0.812096 12.4209      1.10925  11.9658      1.19219  3.49805  0.158553  3.4282   0.173879  
1 1 1 50 25 15 o 0.800274 0.304437  0.511983     0.67493  0.664146     0.916906 0.332032     0.997122 0.914088 0.352924  0.858115 0.355461  
1 1 1 50 25 16 o 1.23142  0.293006  1.66398      0.712146 2.21631      0.978626 1.04227      1.03827  1.4053   0.349273  1.04112  0.381372  
1 1 1 50 25 17 o 2.13952  0.174169  4.68105      0.745275 4.44805      1.01316  4.95579      1.10016  2.06335  0.245514  2.17509  0.252899  
1 1 1 50 25 18 o 5.01345  0.112098  25.375       1.124    27.6151      1.44793  21.9781      1.78302  5.21687  0.138774  4.62304  0.19284   
1 1 1 50 25 19 o 0.552782 0.260703  -0.775845    0.760315 -0.937811    1.02903  -0.581122    1.12831  0.649727 0.305506  0.735356 0.336945  
1 1 1 50 25 20 f 1.82404  0.212335  3.4594       0.774616 2.68844      1.05442  4.36333      1.14173  1.53247  0.351342  2.01879  0.282776  
1 1 1 50 25 21 f 2.12514  0.186318  4.67668      0.791904 3.7769       1.03977  5.91954      1.22202  1.87137  0.27781   2.35369  0.259597  
1 1 1 50 25 22 o 2.00537  0.20274   4.21514      0.813138 4.44505      1.11328  3.95224      1.1905   2.02043  0.275506  1.85199  0.333581  
1 1 1 50 25 23 o 0.633066 0.285565  -0.2286      0.765462 -0.258918    1.01583  -0.188767    1.16436  0.723433 0.327506  0.782416 0.352606  
1 1 1 50 25 24 o 0.653399 0.292419  -0.142179    0.787881 0.349753     1.08383  -0.693455    1.14734  0.841885 0.360559  0.700363 0.327953  
1 1 1 50 25 25 o 1.01998  0.347707  1.25667      0.850639 1.55083      1.18892  0.948157     1.21756  1.10592  0.407811  0.969787 0.396014  
1 1 1 50 25 26 o 0.705831 0.31381   0.0184169    0.894106 0.347095     1.38101  -0.218774    1.17317  0.878019 0.390202  0.750755 0.343825  
1 1 1 50 25 27 o 1.25127  0.336728  2.03563      0.861341 2.29075      1.26458  1.81483      1.17643  1.23739  0.42395   1.12469  0.406541  
1 1 1 50 25 28 o 0.822466 0.337205  0.742801     0.886341 0.400373     1.27065  1.06733      1.23698  0.816159 0.368052  0.921953 0.389628  
1 1 1 50 25 29 o 0.801263 0.338946  0.677929     0.937567 0.362922     1.34693  0.974024     1.30587  0.806797 0.369038  0.890913 0.388819  
1 1 1 50 25 30 o 0.52928  0.261863  -1.36838     1.02846  -1.85651     1.42513  -0.837893    1.48567  0.592851 0.295691  0.669494 0.328002  
1 1 1 50 25 31 o 0.727251 0.331048  0.468835     1.06212  -0.566214    1.55358  1.37714      1.45536  0.687382 0.336449  0.86969  0.392951  
1 1 1 50 26 0  o 1.86874  0.244696  3.70695      0.879481 3.70695      0.879481 3.70695      0.879481 1.89868  0.166726  ?        ?         
1 1 1 50 26 1  o 4.26776  0.0874739 18.2692      0.746635 17.4183      1.06928  19.0788      1.04301  4.15984  0.128524  4.3555   0.119735  
1 1 1 50 26 2  o 3.51876  0.0866936 12.4188      0.610109 11.9494      0.834028 12.9591      0.894824 3.44671  0.120989  3.58872  0.124672  
1 1 1 50 26 3  o 3.74368  0.101416  14.0727      0.759336 13.6049      1.14256  14.4429      1.01623  3.67064  0.155635  3.78669  0.134185  
1 1 1 50 26 4  o 4.81452  0.0886596 23.2528      0.853707 24.4865      1.25644  22.1948      1.16355  4.93219  0.127372  4.69655  0.123873  
1 1 1 50 26 5  o 2.27125  0.141091  5.20017      0.640906 5.51755      0.961154 4.94608      0.860012 2.32869  0.206372  2.20686  0.19485   
1 1 1 50 26 6  o 4.07243  0.0966732 16.6516      0.787391 15.056       1.14628  18.0772      1.08346  3.86177  0.148413  4.23671  0.127865  
1 1 1 50 26 7  o 6.33267  0.0946762 40.2707      1.19911  37.3167      1.71017  43.1274      1.68177  6.08076  0.140622  6.54199  0.128537  
1 1 1 50 26 8  o 2.52839  0.142076  6.45704      0.718445 6.22374      1.05604  6.65806      0.980254 2.46693  0.21404   2.55718  0.191667  
1 1 1 50 26 9  o 5.26905  0.0993249 27.9013      1.0467   26.9513      1.4951   28.8145      1.46584  5.16423  0.144755  5.34261  0.137184  
1 1 1 50 26 10 o 3.2735   0.114378  10.7892      0.748833 10.5915      1.08266  10.9704      1.03684  3.23075  0.167556  3.29081  0.157536  
1 1 1 50 26 11 f 1.15498  0.298756  1.45224      0.695134 0.205852     1.04847  2.42983      0.928552 0.852174 0.359356  1.49028  0.320723  
1 1 1 50 26 12 o 7.56195  0.0974399 57.4985      1.47367  59.0165      2.04635  55.8631      2.12399  7.64244  0.133881  7.43009  0.142931  
1 1 1 50 26 13 o 3.75437  0.106294  14.1913      0.798137 13.2616      1.09203  15.2574      1.16942  3.61679  0.150966  3.8795   0.150717  
1 1 1 50 26 14 o 2.29108  0.155866  5.32979      0.714206 5.4184       0.992928 5.23479      1.02807  2.29366  0.21645   2.25076  0.228382  
1 1 1 50 26 15 f 3.0801   0.123745  9.58558      0.762295 9.68968      1.05577  9.4722       1.1018   3.08229  0.171264  3.04404  0.180976  
1 1 1 50 26 16 o 3.55062  0.114449  12.7299      0.812729 12.3738      1.09841  13.1606      1.20816  3.48569  0.157559  3.59026  0.168255  
1 1 1 50 26 17 o 2.1864   0.177035  4.89407      0.774139 5.9609       1.04867  3.61646      1.1476   2.39831  0.218626  1.80612  0.329955  
1 1 1 50 26 18 o 2.30614  0.169258  5.43963      0.780665 5.52858      1.06372  5.3358       1.1493   2.30289  0.230953  2.25229  0.25514   
1 1 1 50 26 19 o 0.625739 0.280999  -0.244829    0.733049 -0.195911    0.999526 -0.301766    1.07833  0.744193 0.331303  0.75529  0.339914  
1 1 1 50 26 20 o 1.87806  0.207669  3.67621      0.780028 1.64687      1.04905  6.18546      1.16652  1.19355  0.385994  2.41939  0.241078  
1 1 1 50 26 21 o 1.62348  0.243845  2.81381      0.791756 3.02159      1.05986  2.55142      1.19101  1.61273  0.339294  1.44361  0.399322  
1 1 1 50 26 22 o 0.827818 0.320101  0.607744     0.754888 0.715304     1.01346  0.473694     1.13139  0.915153 0.366115  0.889581 0.374124  
1 1 1 50 26 23 o 1.96816  0.20703   4.09992      0.814938 4.32525      1.15096  3.87339      1.15404  1.96781  0.292446  1.82037  0.329042  
1 1 1 50 26 24 o 2.42914  0.181768  6.20935      0.88308  5.45035      1.23549  7.00212      1.26268  2.2007   0.280705  2.52345  0.250189  
1 1 1 50 26 25 o 1.39347  0.323134  2.37976      0.883803 1.83904      1.26969  2.88802      1.23098  1.16302  0.422155  1.45953  0.406733  
1 1 1 50 26 26 o 1.96731  0.222609  4.25787      0.875881 4.21201      1.29486  4.29656      1.18924  1.80027  0.372265  1.89217  0.314251  
1 1 1 50 26 27 o 0.937119 0.345844  1.14176      0.855348 1.77062      1.1823   0.451174     1.23898  1.09006  0.405738  0.829303 0.369034  
1 1 1 50 26 28 f 0.956339 0.35765   1.27043      0.920809 0.654107     1.28507  1.92078      1.32008  0.850043 0.377257  1.08506  0.422527  
1 1 1 50 26 29 o 0.739576 0.331458  0.447029     1.01548  1.93655      1.51805  -0.759305    1.36615  0.993832 0.426211  0.66556  0.323541  
1 1 1 50 26 30 o 1.58992  0.355797  3.84919      1.1029   3.80611      1.59616  3.88854      1.52571  1.27694  0.472203  1.32999  0.464711  
1 1 1 50 26 31 o 0.83137  0.358363  1.33573      1.08318  1.52524      1.70714  1.20803      1.4014   0.815086 0.387019  0.792234 0.367902  
1 1 1 50 27 0  o 3.76028  0.130254  14.2408      0.976919 14.2408      0.976919 14.2408      0.976919 3.76699  0.0918127 ?        ?         
1 1 1 50 27 1  o 1.43139  0.202291  2.08439      0.579115 2.70869      0.809229 1.42902      0.829116 1.62444  0.249079  1.15479  0.33777   
1 1 1 50 27 2  o 3.64286  0.0826652 13.3095      0.602275 12.4988      0.813381 14.2935      0.896106 3.5252   0.115367  3.76914  0.118874  
1 1 1 50 27 3  o 2.54782  0.130379  6.54038      0.664364 5.5767       0.967659 7.39969      0.91376  2.33932  0.206825  2.70309  0.169021  
1 1 1 50 27 4  o 1.56724  0.205638  2.50439      0.644569 1.96477      0.944248 2.97526      0.882045 1.33961  0.348986  1.69859  0.259641  
1 1 1 50 27 5  o 2.1409   0.153255  4.63632      0.656205 5.30093      0.975754 4.08754      0.886659 2.27703  0.21426   1.99793  0.221895  
1 1 1 50 27 6  o 2.10319  0.1629    4.48208      0.685221 4.76007      1.04706  4.27384      0.906225 2.15031  0.243467  2.04249  0.221843  
1 1 1 50 27 7  o 3.70631  0.10618   13.815       0.787071 13.7935      1.17876  13.8322      1.05729  3.6903   0.159711  3.70017  0.142871  
1 1 1 50 27 8  o 5.12121  0.0947097 26.3483      0.970056 25.3393      1.41895  27.2336      1.32918  5.00787  0.141672  5.19663  0.127888  
1 1 1 50 27 9  o 2.62519  0.133786  6.95891      0.702428 7.24112      1.02598  6.70991      0.963707 2.66403  0.192561  2.5657   0.187806  
1 1 1 50 27 10 o 5.47726  0.0955962 30.1572      1.04721  28.705       1.46239  31.6858      1.50029  5.32896  0.137212  5.60022  0.133949  
1 1 1 50 27 11 o 1.08254  0.294521  1.27294      0.654506 -0.406449    0.931551 2.91017      0.919785 0.69326  0.313747  1.66907  0.275538  
1 1 1 50 27 12 o 3.5424   0.107637  12.6372      0.762587 12.6469      1.07013  12.6271      1.08699  3.53147  0.151513  3.52788  0.154058  
1 1 1 50 27 13 o 4.54895  0.101153  20.8284      0.920284 22.2375      1.23917  19.0953      1.37425  4.68934  0.132126  4.33484  0.158512  
1 1 1 50 27 14 o 2.34784  0.154899  5.60285      0.727353 6.15573      1.0149   5.01899      1.04294  2.4453   0.20752   2.19838  0.237207  
1 1 1 50 27 15 o 1.21496  0.291188  1.62719      0.699402 1.36052      0.943818 1.95199      1.0416   1.11779  0.366257  1.30926  0.377187  
1 1 1 50 27 16 o 3.17813  0.127046  10.2242      0.807534 11.232       1.09925  9.04265      1.19021  3.31701  0.1657    2.96203  0.200912  
1 1 1 50 27 17 o 2.05714  0.184603  4.34522      0.759509 4.35035      1.03609  4.33926      1.11665  2.03451  0.254628  2.02337  0.275938  
1 1 1 50 27 18 o 2.22883  0.172038  5.09659      0.766888 6.40854      1.08164  3.77046      1.08747  2.48044  0.218034  1.87397  0.290152  
1 1 1 50 27 19 o 2.0802   0.187439  4.47139      0.779824 4.13972      1.05873  4.86473      1.15296  1.96837  0.268935  2.13312  0.270253  
1 1 1 50 27 20 o 1.97857  0.198654  4.08526      0.786105 4.43305      1.07005  3.67748      1.15867  2.02884  0.263709  1.78897  0.336206  
1 1 1 50 27 21 o 2.35335  0.186011  5.77269      0.875497 5.26071      1.25016  6.26545      1.22646  2.18736  0.285768  2.40981  0.254473  
1 1 1 50 27 22 o 2.73529  0.158731  7.72986      0.868352 7.62633      1.16289  7.86033      1.30552  2.67948  0.217     2.70135  0.241642  
1 1 1 50 27 23 o 1.17581  0.335939  1.67603      0.829618 1.31719      1.18802  2.01757      1.15903  1.06392  0.404148  1.25079  0.405843  
1 1 1 50 27 24 o 1.0565   0.353295  1.38834      0.878196 1.4948       1.22724  1.27662      1.25721  1.08488  0.411158  1.03642  0.410007  
1 1 1 50 27 25 o 1.9646   0.225546  4.23773      0.886212 3.815        1.29425  4.61088      1.21599  1.70102  0.388756  1.9749   0.307861  
1 1 1 50 27 26 o 1.78234  0.25795   3.66882      0.919512 3.0721       1.27899  4.30721      1.32289  1.44275  0.418719  1.7791   0.382759  
1 1 1 50 27 27 o 0.704617 0.313318  0.180645     0.89161  1.51861      1.27437  -1.10233     1.2479   1.00942  0.407747  0.640714 0.310759  
1 1 1 50 27 28 o 0.753901 0.326169  0.498631     0.903617 0.29881      1.26056  0.709845     1.29599  0.779795 0.356821  0.841454 0.37585   
1 1 1 50 27 29 o 0.927038 0.372877  1.47563      1.05933  -0.81951     1.45764  4.04474      1.54218  0.664511 0.325404  1.37351  0.468176  
1 1 1 50 27 30 o 0.841334 0.354027  1.13409      1.01403  0.769939     1.52024  1.42596      1.36103  0.796904 0.373936  0.878273 0.389211  
1 1 1 50 28 0  o 0.423402 0.293133  -0.492759    0.794689 -0.492759    0.794689 -0.492759    0.794689 0.334955 0.234943  ?        ?         
1 1 1 50 28 1  o 1.26217  0.237108  1.68704      0.576508 2.06302      0.817887 1.31576      0.812749 1.37983  0.304535  1.10889  0.336842  
1 1 1 50 28 2  o 2.26979  0.109681  5.18292      0.497904 5.09932      0.684058 5.27711      0.726107 2.24525  0.152334  2.28289  0.159033  
1 1 1 50 28 3  o 2.74956  0.122467  7.61701      0.673462 7.15866      0.981952 8.02409      0.925401 2.65294  0.185068  2.81372  0.164444  
1 1 1 50 28 4  o 4.77683  0.0929723 22.9177      0.888225 21.8668      1.22228  24.0937      1.29298  4.65602  0.131258  4.88703  0.132287  
1 1 1 50 28 5  o 3.44457  0.10639   11.9334      0.732937 11.081       1.07344  12.6778      1.00318  3.30671  0.162312  3.54255  0.141591  
1 1 1 50 28 6  o 4.48887  0.0965415 20.2483      0.866725 20.9102      1.2978   19.7154      1.16448  4.54853  0.142661  4.42012  0.131725  
1 1 1 50 28 7  o 2.97636  0.125433  8.93482      0.74667  7.44315      1.12495  10.1095      0.998268 2.69625  0.208613  3.158    0.158054  
1 1 1 50 28 8  o 3.47278  0.11157   12.1457      0.774913 11.7877      1.10724  12.4894      1.08488  3.40769  0.162463  3.51014  0.154536  
1 1 1 50 28 9  o 2.52684  0.136004  6.45361      0.687318 6.39174      0.970997 6.51574      0.973034 2.50086  0.194132  2.52542  0.192648  
1 1 1 50 28 10 o 1.64707  0.196956  2.7757       0.6488   3.44629      0.930265 2.14057      0.905327 1.82118  0.255402  1.39251  0.329746  
1 1 1 50 28 11 o 1.06389  0.28834   1.23048      0.628806 1.24927      0.851846 1.20797      0.932095 1.0811   0.347646  1.07656  0.363975  
1 1 1 50 28 12 o 1.6345   0.199646  2.74086      0.652642 2.46906      0.887354 3.06115      0.963263 1.50244  0.305921  1.70569  0.282368  
1 1 1 50 28 13 o 3.58355  0.108481  12.947       0.777491 13.3616      1.07738  12.4964      1.12312  3.62765  0.148496  3.50387  0.160269  
1 1 1 50 28 14 o 2.71374  0.137656  7.46856      0.747126 8.08447      1.02843  6.78026      1.08721  2.80851  0.183093  2.56133  0.212235  
1 1 1 50 28 15 o 1.27095  0.286129  1.77597      0.709772 1.91827      0.947069 1.59363      1.07205  1.30115  0.354411  1.19657  0.390345  
1 1 1 50 28 16 o 2.65341  0.146947  7.15979      0.779822 6.79039      1.04213  7.62984      1.17555  2.56463  0.203174  2.7127   0.216676  
1 1 1 50 28 17 o 3.57545  0.121354  12.9486      0.867793 12.7926      1.17466  13.1362      1.28759  3.5343   0.16618   3.5741   0.180128  
1 1 1 50 28 18 o 2.98676  0.134756  9.07112      0.804967 8.60454      1.12116  9.56752      1.15645  2.88319  0.194431  3.04255  0.190045  
1 1 1 50 28 19 o 2.27838  0.186865  5.38643      0.8515   5.22219      1.18421  5.56224      1.22524  2.20097  0.26902   2.27105  0.269752  
1 1 1 50 28 20 o 2.12285  0.196709  4.71677      0.835169 5.05481      1.18661  4.38491      1.17569  2.15226  0.275665  1.9925   0.295027  
1 1 1 50 28 21 o 1.76404  0.236746  3.33563      0.835259 3.9734       1.24461  2.81302      1.12665  1.83347  0.35197   1.52024  0.372878  
1 1 1 50 28 22 f 3.55936  0.127513  12.9689      0.907731 12.3455      1.2224   13.7353      1.35532  3.4356   0.177902  3.61509  0.187453  
1 1 1 50 28 23 o 2.36209  0.19123   5.92146      0.903404 5.49466      1.31745  6.30025      1.24117  2.18218  0.301866  2.37695  0.261085  
1 1 1 50 28 24 o 1.92533  0.226629  4.06548      0.87267  4.97398      1.29105  3.30121      1.18415  2.04814  0.315178  1.59455  0.376821  
1 1 1 50 28 25 o 0.679945 0.303644  0.00885917   0.845468 -0.387057    1.18139  0.424518     1.21049  0.718549 0.335264  0.841473 0.37072   
1 1 1 50 28 26 o 1.02676  0.35671   1.46227      0.897862 1.72635      1.24721  1.17817      1.2936   1.06605  0.411609  0.952807 0.400349  
1 1 1 50 28 27 o 1.03139  0.35904   1.53317      0.910017 1.15662      1.26156  1.94164      1.31396  0.929054 0.393097  1.08564  0.421794  
1 1 1 50 28 28 o 0.751999 0.334111  0.539232     1.01164  0.248203     1.36522  0.89364      1.50656  0.757508 0.355253  0.843932 0.387805  
1 1 1 50 28 29 o 0.844039 0.354682  1.10166      1.01549  1.88545      1.52042  0.470445     1.36444  0.950103 0.417054  0.76479  0.358036  
1 1 1 50 28 30 o 1.29965  0.385164  3.17616      1.07151  2.24812      1.57996  3.96652      1.45806  0.89312  0.405806  1.23532  0.451996  
1 1 1 50 29 0  o 1.04353  0.400576  1.52303      0.786771 1.52303      0.786771 1.52303      0.786771 1.13342  0.284056  ?        ?         
1 1 1 50 29 1  o 1.33566  0.209175  1.82458      0.558771 2.07561      0.770905 1.54671      0.811066 1.38763  0.287464  1.19097  0.32957   
1 1 1 50 29 2  o 3.92771  0.0768313 15.4747      0.603542 15.6246      0.848681 15.3214      0.858479 3.94079  0.107679  3.90184  0.110009  
1 1 1 50 29 3  o 4.04794  0.0931195 16.4616      0.753884 16.6099      1.09992  16.3303      1.03532  4.05561  0.135605  4.02329  0.128665  
1 1 1 50 29 4  o 1.17101  0.282638  1.48552      0.655356 2.68995      1.00084  0.581462     0.867104 1.56786  0.329608  0.882721 0.34271   
1 1 1 50 29 5  o 1.99182  0.170172  4.03193      0.677904 4.42309      1.01588  3.71792      0.910206 2.06818  0.245597  1.89761  0.239829  
1 1 1 50 29 6  o 1.35505  0.264316  1.9677       0.690763 0.800185     1.03502  2.90535      0.927559 0.983329 0.376147  1.64272  0.292848  
1 1 1 50 29 7  o 3.97966  0.100768  15.9314      0.802043 15.9499      1.15921  15.9144      1.11086  3.96911  0.146029  3.96665  0.140025  
1 1 1 50 29 8  o 2.55844  0.133688  6.61513      0.684064 7.87988      0.9777   5.40225      0.957443 2.78165  0.175741  2.29473  0.208618  
1 1 1 50 29 9  o 1.32937  0.247654  1.88641      0.633901 1.15127      0.915567 2.56326      0.878522 1.05724  0.360733  1.53766  0.296241  
1 1 1 50 29 10 o 4.51526  0.0964989 20.508       0.871435 20.6789      1.23734  20.3398      1.22751  4.52038  0.136862  4.48315  0.136903  
1 1 1 50 29 11 o 1.60023  0.183915  2.61841      0.588613 2.95703      0.780901 2.17291      0.895709 1.68976  0.231068  1.39998  0.325735  
1 1 1 50 29 12 o 1.30863  0.23795   1.83106      0.599776 1.95701      0.79249  1.66219      0.917624 1.33181  0.304086  1.21882  0.35497   
1 1 1 50 29 13 o 3.86797  0.101247  15.0761      0.783242 14.4001      1.05292  15.9135      1.17196  3.76735  0.139742  3.95688  0.148092  
1 1 1 50 29 14 o 1.7372   0.197452  3.10741      0.686028 2.30497      0.929449 4.06778      1.01681  1.43447  0.330541  1.96744  0.258408  
1 1 1 50 29 15 o 2.42524  0.155865  5.99467      0.75602  5.48209      0.994535 6.69635      1.16361  2.29927  0.216272  2.53551  0.229463  
1 1 1 50 29 16 o 2.05189  0.178758  4.32803      0.733581 5.0685       1.00253  3.47462      1.07627  2.20206  0.227635  1.76781  0.315791  
1 1 1 50 29 17 o 1.30725  0.292571  1.90553      0.745691 1.55123      1.04098  2.27896      1.0687   1.16892  0.384647  1.39616  0.374787  
1 1 1 50 29 18 o 1.84003  0.218735  3.55787      0.804957 4.21368      1.18352  2.99336      1.09804  1.96014  0.301896  1.60341  0.351992  
1 1 1 50 29 19 o 1.62356  0.247292  2.82726      0.802984 2.47631      1.1712   3.13855      1.10305  1.4191   0.397147  1.63524  0.347703  
1 1 1 50 29 20 o 0.608521 0.280006  -0.427923    0.788351 0.540066     1.1761   -1.21773     1.06235  0.911429 0.38229   0.617397 0.296564  
1 1 1 50 29 21 o 1.45527  0.282478  2.41102      0.79282  1.62321      1.14609  3.13397      1.0979   1.14981  0.402673  1.61462  0.349846  
1 1 1 50 29 22 o 0.861978 0.334634  0.730838     0.826694 0.67722      1.21849  0.776569     1.12531  0.921891 0.388011  0.925688 0.379811  
1 1 1 50 29 23 o 0.925192 0.342818  0.982657     0.842145 -0.132679    1.21335  2.01934      1.16979  0.775303 0.353165  1.21826  0.407751  
1 1 1 50 29 24 o 1.41275  0.308808  2.434        0.8485   2.4346       1.18639  2.43336      1.214    1.31908  0.40825   1.31268  0.414305  
1 1 1 50 29 25 o 0.710781 0.314423  0.171731     0.882907 -1.40993     1.24247  1.78509      1.25486  0.62139  0.303398  1.09186  0.415185  
1 1 1 50 29 26 o 0.626603 0.291108  -0.267958    0.878594 0.0814484    1.25685  -0.601876    1.22867  0.767514 0.353327  0.682319 0.325607  
1 1 1 50 29 27 o 0.685149 0.311828  0.123468     0.941477 -0.646414    1.27337  1.05179      1.39827  0.666895 0.321395  0.88385  0.392734  
1 1 1 50 29 28 o 0.736997 0.334791  0.488331     1.074    1.28468      1.55076  -0.245707    1.48885  0.867181 0.396374  0.709014 0.342906  
1 1 1 50 29 29 o 0.721321 0.324221  0.52454      0.978    0.205618     1.4062   0.823331     1.3611   0.727276 0.347365  0.790637 0.365396  
1 1 1 50 30 0  o 1.97164  0.21317   4.0698       0.818138 4.0698       0.818138 4.0698       0.818138 1.99537  0.146789  ?        ?         
1 1 1 50 30 1  o 2.98128  0.0978749 8.93672      0.583585 8.70866      0.793788 9.205        0.86092  2.93567  0.135197  3.01638  0.142707  
1 1 1 50 30 2  o 5.80564  0.0778797 33.8229      0.904284 34.4822      1.28921  33.1843      1.26873  5.85173  0.110157  5.74042  0.110509  
1 1 1 50 30 3  o 4.22465  0.0953709 17.9415      0.805818 16.367       1.18076  19.314       1.10246  4.02058  0.146839  4.37469  0.126005  
1 1 1 50 30 4  o 2.52382  0.138155  6.44054      0.697356 6.71102      1.06207  6.23555      0.924581 2.55858  0.207551  2.47199  0.187011  
1 1 1 50 30 5  o 3.59955  0.104346  13.0399      0.751197 12.8132      1.10746  13.2331      1.02234  3.55421  0.155796  3.61649  0.141345  
1 1 1 50 30 6  o 2.72616  0.127059  7.50391      0.692767 8.20801      1.02175  6.90482      0.94248  2.8374   0.180051  2.60214  0.181098  
1 1 1 50 30 7  o 1.30307  0.26083   1.82449      0.655756 0.881345     0.951554 2.67753      0.904958 0.983639 0.364421  1.57121  0.29876   
1 1 1 50 30 8  o 6.07041  0.0918224 37.0459      1.1148   38.7591      1.68734  35.7187      1.48509  6.18914  0.136314  5.94705  0.124859  
1 1 1 50 30 9  f 3.02532  0.112897  9.22906      0.683097 7.72711      0.956922 10.7897      0.975435 2.75251  0.173827  3.26082  0.149569  
1 1 1 50 30 10 o 2.10369  0.176378  4.52059      0.742091 4.43239      1.07161  4.60185      1.02865  2.05773  0.260388  2.1022   0.244661  
1 1 1 50 30 11 o 0.794063 0.316316  0.418677     0.753077 0.0880656    1.07154  0.741351     1.0586   0.827235 0.356505  0.963414 0.377713  
1 1 1 50 30 12 o 3.09819  0.140461  9.74132      0.870348 11.3533      1.24059  8.17895      1.22135  3.32623  0.186486  2.81041  0.217291  
1 1 1 50 30 13 o 3.13677  0.141747  9.99035      0.889258 8.53792      1.20804  11.7082      1.31381  2.87382  0.21018   3.37315  0.194745  
1 1 1 50 30 14 o 2.00655  0.198914  4.1544       0.798263 2.90556      1.18791  5.18266      1.07791  1.5873   0.378901  2.22466  0.242265  
1 1 1 50 30 15 o 1.73117  0.191981  3.09378      0.664705 3.3319       0.848995 2.71662      1.06847  1.78164  0.238262  1.53998  0.354093  
1 1 1 50 30 16 o 2.46447  0.154942  6.20811      0.7637   7.2642       1.06726  5.0999       1.09328  2.64603  0.201673  2.1964   0.24888   
1 1 1 50 30 17 o 1.10226  0.326937  1.38694      0.771813 1.798        1.16309  1.06351      1.0317   1.23174  0.406582  1.01862  0.379043  
1 1 1 50 30 18 o 0.578505 0.270008  -0.569107    0.767026 0.145669     1.17538  -1.09927     1.01228  0.844697 0.368764  0.613555 0.293448  
1 1 1 50 30 19 o 0.663275 0.291581  -0.036562    0.745446 1.08153      1.1088   -0.95874     1.00698  1.01888  0.389444  0.625074 0.297007  
1 1 1 50 30 20 o 0.974276 0.330975  1.07632      0.77074  0.938985     1.11804  1.20068      1.06395  0.977417 0.386653  1.03562  0.38501   
1 1 1 50 30 21 o 1.7854   0.23404   3.46057      0.835714 3.17508      1.22328  3.71044      1.14441  1.57757  0.38953   1.75878  0.337377  
1 1 1 50 30 22 o 1.28981  0.327304  2.05331      0.846049 3.20825      1.23752  1.03979      1.15929  1.55515  0.396575  0.973171 0.390636  
1 1 1 50 30 23 o 2.34062  0.187752  5.8518       0.878916 5.16958      1.21483  6.60112      1.27317  2.11113  0.287721  2.41212  0.263911  
1 1 1 50 30 24 o 1.06917  0.357103  1.53943      0.897229 1.33554      1.21973  1.77984      1.32447  1.00317  0.401516  1.09824  0.42414   
1 1 1 50 30 25 o 1.54056  0.30606   3.01722      0.909507 3.48084      1.29054  2.55974      1.28197  1.51275  0.414458  1.25717  0.426856  
1 1 1 50 30 26 o 0.907567 0.355698  1.11925      0.938635 0.558667     1.25853  1.82194      1.40905  0.824644 0.369305  1.04498  0.426253  
1 1 1 50 30 27 o 0.734508 0.332556  0.432199     1.04768  0.722486     1.46833  0.131134     1.49534  0.813943 0.377445  0.754582 0.359881  
1 1 1 50 30 28 o 0.760608 0.335993  0.655557     1.00342  1.0749       1.49551  0.3122       1.35325  0.846552 0.387905  0.748928 0.351672  
1 1 1 50 30 29 o 0.77386  0.339929  1.07271      1.01153  0.78692      1.44248  1.34921      1.41884  0.731478 0.349955  0.789163 0.367903  
1 1 1 50 31 0  o 0.804837 0.403689  1.00421      0.789254 1.00421      0.789254 1.00421      0.789254 0.838315 0.34086   ?        ?         
1 1 1 50 31 1  o 1.43874  0.189517  2.11451      0.545332 1.71332      0.744905 2.57785      0.800528 1.25153  0.300865  1.57529  0.254089  
1 1 1 50 31 2  o 5.38575  0.0822052 29.1243      0.885473 30.9866      1.26545  27.3377      1.23945  5.54477  0.114112  5.20628  0.119034  
1 1 1 50 31 3  f 0.75894  0.293665  0.422261     0.635574 0.0985703    0.957997 0.676747     0.849436 0.79605  0.339892  0.901446 0.34194   
1 1 1 50 31 4  o 2.27376  0.147704  5.2393       0.671689 5.64196      1.01182  4.92204      0.898132 2.34165  0.216048  2.19022  0.205032  
1 1 1 50 31 5  o 4.65784  0.0889554 21.8026      0.82868  20.3259      1.17008  23.2887      1.17379  4.4844   0.130461  4.80325  0.122187  
1 1 1 50 31 6  o 2.88882  0.121394  8.42398      0.701373 8.01691      1.01239  8.79969      0.972591 2.80208  0.180649  2.94061  0.165373  
1 1 1 50 31 7  o 2.28364  0.148226  5.29051      0.676986 4.93867      1.01096  5.57656      0.911547 2.18394  0.231452  2.33219  0.195427  
1 1 1 50 31 8  o 0.802278 0.292087  0.582025     0.60822  1.04884      0.849208 0.090342     0.871531 1.01073  0.347317  0.758813 0.324097  
1 1 1 50 31 9  o 2.03356  0.193475  4.24761      0.786887 2.55468      1.05685  6.35365      1.17876  1.50366  0.356405  2.47033  0.238584  
1 1 1 50 31 10 o 1.47865  0.267968  2.36445      0.763314 1.98534      1.06203  2.76956      1.09784  1.31885  0.381165  1.56401  0.358456  
1 1 1 50 31 11 o 1.89938  0.213236  3.73194      0.810034 3.43578      1.15299  4.0206       1.13828  1.75452  0.340737  1.9429   0.292933  
1 1 1 50 31 12 o 1.79494  0.230279  3.35304      0.826674 3.84194      1.12775  2.78526      1.21534  1.89668  0.297297  1.55129  0.391468  
1 1 1 50 31 13 o 0.702044 0.308977  -0.0992821   0.839006 -0.239067    1.17449  0.0463854    1.19895  0.801041 0.357799  0.855581 0.372989  
1 1 1 50 31 14 o 1.56714  0.292321  2.70722      0.882126 3.84672      1.24336  1.55233      1.25172  1.84237  0.35008   1.18627  0.420282  
1 1 1 50 31 15 o 1.38782  0.304329  2.16078      0.821645 1.68712      1.13826  2.67608      1.18725  1.21094  0.402219  1.50395  0.391101  
1 1 1 50 31 16 o 1.46973  0.284274  2.40597      0.80579  1.88724      1.2145   2.81386      1.07697  1.25628  0.415471  1.55226  0.354534  
1 1 1 50 31 17 o 1.24246  0.305512  1.77313      0.754881 1.81822      1.13433  1.73729      1.01135  1.22667  0.401524  1.20554  0.377703  
1 1 1 50 31 18 f 0.842948 0.321435  0.659713     0.75388  -0.804716    1.1087   1.91907      1.02814  0.680932 0.319485  1.25645  0.378296  
1 1 1 50 31 19 f 1.05661  0.331859  1.3077       0.780103 1.25105      1.1672   1.35344      1.04874  1.05951  0.401142  1.07726  0.384394  
1 1 1 50 31 20 o 1.24733  0.326769  1.87399      0.824919 1.31518      1.19863  2.37684      1.13703  1.06231  0.405242  1.3591   0.394913  
1 1 1 50 31 21 o 0.842575 0.331776  0.690691     0.819686 0.565008     1.14431  0.823142     1.17471  0.876732 0.372817  0.933103 0.386128  
1 1 1 50 31 22 o 0.725161 0.31019   0.25929      0.800449 0.600767     1.13989  -0.0729031   1.12428  0.874758 0.372041  0.757434 0.343635  
1 1 1 50 31 23 o 1.56065  0.282516  2.90963      0.849432 1.29068      1.18054  4.64757      1.22315  1.00107  0.396901  1.95541  0.312762  
1 1 1 50 31 24 o 0.689284 0.306914  0.121391     0.858137 -1.26174     1.18217  1.662        1.24765  0.612936 0.298668  1.05118  0.410477  
1 1 1 50 31 25 o 0.610354 0.287775  -0.477624    0.925181 -0.300202    1.31145  -0.653407    1.30538  0.729417 0.343534  0.692415 0.331661  
1 1 1 50 31 26 o 0.720709 0.327627  0.310026     1.03261  0.289619     1.43913  0.331681     1.4825   0.774494 0.363493  0.783525 0.367948  
1 1 1 50 31 27 o 0.513425 0.25433   -1.33879     0.97758  -0.785061    1.46959  -1.7783      1.30927  0.663515 0.325426  0.567949 0.283292  
1 1 1 50 31 28 o 0.833849 0.346055  1.17181      0.947818 1.30523      1.40941  1.06166      1.28065  0.83316  0.379818  0.802639 0.364869  
1 1 1 50 32 0  o 1.0426   0.417239  1.56353      0.840221 1.56353      0.840221 1.56353      0.840221 1.13568  0.303396  ?        ?         
1 1 1 50 32 1  o 3.20461  0.0948048 10.3285      0.607624 10.6186      0.862166 10.0423      0.856483 3.24018  0.133043  3.15025  0.135939  
1 1 1 50 32 2  o 2.19102  0.159534  4.87925      0.699088 5.863        1.05494  4.10898      0.933485 2.38381  0.221271  1.99191  0.234319  
1 1 1 50 32 3  o 3.46312  0.108122  12.0845      0.748881 12.4214      1.12046  11.8126      1.00679  3.49512  0.16029   3.41271  0.147506  
1 1 1 50 32 4  o 2.31646  0.147615  5.44339      0.68389  4.98841      1.00105  5.84161      0.936509 2.19592  0.227933  2.38663  0.196199  
1 1 1 50 32 5  o 2.07075  0.163028  4.36521      0.675183 4.88196      0.979011 3.89651      0.932398 2.17245  0.225325  1.93628  0.240771  
1 1 1 50 32 6  o 3.36923  0.114955  11.4569      0.774618 10.8733      1.09359  12.0446      1.09737  3.26555  0.167443  3.44001  0.159502  
1 1 1 50 32 7  o 0.701624 0.28435   0.263378     0.622619 0.137354     0.868972 0.39633      0.892535 0.766191 0.32532   0.834105 0.339578  
1 1 1 50 32 8  o 1.26555  0.30924   1.77926      0.777137 1.05465      1.05185  2.65022      1.1532   1.04182  0.38364   1.51997  0.379986  
1 1 1 50 32 9  o 1.15046  0.324052  1.47296      0.777297 -0.238693    1.07717  3.33262      1.12277  0.770856 0.34353   1.72969  0.336571  
1 1 1 50 32 10 o 0.683865 0.300311  -0.0963905   0.78902  -0.664577    1.11247  0.478732     1.11924  0.719945 0.331815  0.918307 0.37812   
1 1 1 50 32 11 o 2.33162  0.179939  5.57474      0.839098 4.7148       1.15506  6.53569      1.22102  2.11012  0.273694  2.49854  0.244346  
1 1 1 50 32 12 o 1.3173   0.315201  1.95082      0.820546 3.18036      1.1195   0.523483     1.20619  1.6751   0.345954  0.943973 0.390986  
1 1 1 50 32 13 o 1.40079  0.314129  2.2035       0.858229 2.18607      1.15558  2.22494      1.28163  1.36386  0.398708  1.3687   0.424463  
1 1 1 50 32 14 o 2.21039  0.209636  5.092        0.926754 8.00764      1.34916  2.48714      1.27522  2.75171  0.245148  1.43577  0.418556  
1 1 1 50 32 15 o 1.11024  0.344792  1.41673      0.845264 0.633054     1.22489  2.1292       1.16791  0.954278 0.394553  1.32599  0.403987  
1 1 1 50 32 16 o 2.02262  0.203302  4.29039      0.822403 3.86039      1.15068  4.73938      1.17584  1.86292  0.308838  2.0814   0.282463  
1 1 1 50 32 17 o 2.7659   0.165351  7.91087      0.914689 8.438        1.22602  7.24915      1.37366  2.823    0.217149  2.58086  0.266125  
1 1 1 50 32 18 o 0.857284 0.322566  0.720836     0.751264 0.0653854    1.17943  1.16835      0.974547 0.822648 0.363722  1.02056  0.369908  
1 1 1 50 32 19 o 0.584639 0.273757  -0.5699      0.799264 -0.522861    1.15421  -0.613239    1.10788  0.721466 0.334594  0.694605 0.324314  
1 1 1 50 32 20 o 1.23789  0.324962  1.8737       0.814762 1.85577      1.14552  1.89207      1.1591   1.18536  0.403499  1.19446  0.405883  
1 1 1 50 32 21 o 0.567574 0.267946  -0.656171    0.807025 -2.55344     1.10174  1.54041      1.18546  0.510152 0.255076  1.08787  0.40601   
1 1 1 50 32 22 o 0.994818 0.344892  1.25248      0.838979 1.89248      1.14467  0.509577     1.23326  1.16182  0.402848  0.86285  0.377202  
1 1 1 50 32 23 o 0.568215 0.271178  -0.680519    0.85267  -1.69745     1.19333  0.380264     1.21879  0.583911 0.287586  0.815308 0.364319  
1 1 1 50 32 24 o 0.44449  0.223658  -2.16545     0.887567 -2.64098     1.16497  -1.50752     1.3703   0.508354 0.255796  0.638339 0.313451  
1 1 1 50 32 25 o 0.697514 0.318017  0.129133     0.988694 0.512301     1.38773  -0.265848    1.40896  0.812808 0.372954  0.730145 0.348489  
1 1 1 50 32 26 o 0.569255 0.277082  -0.812395    1.00761  0.315856     1.48337  -1.77897     1.37298  0.762153 0.361354  0.584623 0.291396  
1 1 1 50 32 27 o 0.677348 0.309474  0.243086     0.944206 1.47279      1.35887  -0.904867    1.31293  0.889221 0.392136  0.625146 0.306924  
1 1 1 50 33 0  o 0.976979 0.40767   1.40102      0.792232 1.40102      0.792232 1.40102      0.792232 1.0623   0.304475  ?        ?         
1 1 1 50 33 1  o 2.3691   0.119671  5.66908      0.567023 5.31164      0.795483 6.03827      0.808459 2.2805   0.17441   2.43385  0.166086  
1 1 1 50 33 2  o 2.63899  0.135449  7.05489      0.714895 6.75794      1.07954  7.28682      0.954073 2.55962  0.210879  2.6694   0.178705  
1 1 1 50 33 3  o 1.65417  0.202684  2.81732      0.670549 1.9805       0.96905  3.58611      0.928826 1.32399  0.357552  1.85231  0.250721  
1 1 1 50 33 4  o 5.76871  0.0961787 33.5051      1.10966  34.1043      1.54016  32.8584      1.60013  5.80246  0.132716  5.69105  0.140583  
1 1 1 50 33 5  o 3.66128  0.108144  13.522       0.791893 12.8905      1.09249  14.221       1.14949  3.55929  0.15347   3.73835  0.153743  
1 1 1 50 33 6  o 1.80024  0.189182  3.32798      0.681146 3.66186      0.965193 2.99672      0.96139  1.86739  0.258434  1.65413  0.301795  
1 1 1 50 33 7  o 4.30767  0.112123  18.7326      0.965979 18.1198      1.33426  19.4075      1.40033  4.21694  0.158202  4.36303  0.160477  
1 1 1 50 33 8  o 0.838644 0.324723  0.554352     0.77739  0.508212     1.08408  0.603196     1.11538  0.91473  0.373628  0.943765 0.381367  
1 1 1 50 33 9  o 1.48517  0.27882   2.40117      0.797672 0.427252     1.11409  4.47747      1.14261  0.905636 0.375474  2.05553  0.277936  
1 1 1 50 33 10 o 2.94209  0.146508  8.81042      0.862078 7.56765      1.18541  10.2056      1.25598  2.6974   0.219731  3.14295  0.199809  
1 1 1 50 33 11 o 3.43169  0.13411   11.9622      0.920448 11.8884      1.28954  12.0388      1.31423  3.39478  0.189929  3.41481  0.192431  
1 1 1 50 33 12 o 1.68902  0.250397  3.01235      0.84585  4.56894      1.18442  1.39219      1.20836  2.06279  0.287092  1.13983  0.412021  
1 1 1 50 33 13 o 3.46836  0.143961  12.2784      0.998618 13.1965      1.4069   11.3461      1.41768  3.56447  0.197351  3.29356  0.21522   
1 1 1 50 33 14 f 1.57326  0.282538  2.75421      0.856716 3.37247      1.27389  2.24368      1.1576   1.67684  0.38736   1.35894  0.399631  
1 1 1 50 33 15 o 3.18423  0.146154  10.3977      0.930774 10.6779      1.31424  10.1156      1.3184   3.18815  0.206113  3.09818  0.21277   
1 1 1 50 33 16 o 1.52083  0.287735  2.61186      0.843341 3.44095      1.22719  1.86992      1.1609   1.6898   0.373106  1.23339  0.406198  
1 1 1 50 33 17 o 2.95518  0.151572  9.00234      0.895846 7.56506      1.26947  10.4281      1.26438  2.64988  0.239534  3.14472  0.201032  
1 1 1 50 33 18 o 0.859859 0.330083  0.725735     0.799352 1.90874      1.14385  -0.403435    1.11752  1.22144  0.403205  0.726101 0.333802  
1 1 1 50 33 19 o 1.60394  0.260182  2.86773      0.83463  2.76878      1.17592  2.9682       1.18482  1.45254  0.394591  1.51077  0.389689  
1 1 1 50 33 20 o 0.712793 0.308168  0.189514     0.805552 0.790797     1.13944  -0.411304    1.139    0.914994 0.379561  0.716475 0.332319  
1 1 1 50 33 21 o 2.45739  0.176329  6.41801      0.86662  6.97775      1.21561  5.8395       1.23581  2.49594  0.243517  2.25087  0.274518  
1 1 1 50 33 22 o 0.634353 0.292321  -0.245541    0.862977 -1.26038     1.17441  0.945569     1.27233  0.616024 0.299623  0.921139 0.392452  
1 1 1 50 33 23 o 1.77452  0.265231  3.75429      0.941317 4.51899      1.28238  2.86088      1.38611  1.81216  0.36664   1.3034   0.443854  
1 1 1 50 33 24 o 0.691565 0.312949  0.11213      0.92659  -0.246351    1.28835  0.496247     1.33362  0.723173 0.340564  0.821205 0.37305   
1 1 1 50 33 25 o 0.925863 0.37085   1.42627      1.04165  -0.581177    1.59677  2.91342      1.37435  0.708127 0.345421  1.19759  0.438766  
1 1 1 50 33 26 o 0.893597 0.358747  1.30481      0.977951 0.537316     1.38485  2.06827      1.38121  0.776132 0.362463  1.00062  0.41666   
1 1 1 50 33 27 o 0.603702 0.288167  -0.103706    0.96399  -0.82718     1.40145  0.545994     1.32808  0.610619 0.302959  0.712511 0.33966   
1 1 1 50 34 0  f 0.693526 0.389801  0.714181     0.808466 0.714181     0.808466 0.714181     0.808466 0.680092 0.343134  ?        ?         
1 1 1 50 34 1  o 4.52462  0.0836481 20.5799      0.756952 22.1414      1.04591  18.8624      1.09689  4.68359  0.111657  4.31701  0.127043  
1 1 1 50 34 2  o 1.38861  0.259201  2.0818       0.6931   3.65681      1.06129  0.910469     0.915233 1.85605  0.2859    0.976126 0.358014  
1 1 1 50 34 3  o 2.78495  0.126931  7.85031      0.706996 7.85057      0.999889 7.85004      0.999797 2.76799  0.180617  2.7679   0.180606  
1 1 1 50 34 4  o 2.30098  0.153725  5.38938      0.707436 7.40617      1.01154  3.45858      0.989744 2.68551  0.188334  1.80905  0.273554  
1 1 1 50 34 5  o 2.67977  0.132032  7.27659      0.70763  7.43983      1.009    7.11858      0.992678 2.69176  0.187424  2.63259  0.188536  
1 1 1 50 34 6  o 2.27771  0.167     5.29897      0.760753 4.86305      1.11918  5.67337      1.03722  2.14999  0.260277  2.3381   0.221808  
1 1 1 50 34 7  o 3.10206  0.139541  9.76963      0.865726 9.00234      1.24386  10.4905      1.20568  2.9494   0.210867  3.1946   0.188705  
1 1 1 50 34 8  o 0.503082 0.245358  -1.36198     0.80434  -1.413       1.1344   -1.31041     1.14064  0.638072 0.306485  0.651041 0.311406  
1 1 1 50 34 9  o 1.73668  0.236019  3.16308      0.819779 2.96528      1.13707  3.37718      1.18297  1.60602  0.362568  1.7206   0.355838  
1 1 1 50 34 10 f 0.558613 0.26385   -0.806533    0.784182 -1.87744     1.09393  0.325509     1.12472  0.577708 0.282664  0.880823 0.371851  
1 1 1 50 34 11 o 3.88803  0.134879  15.3766      1.04883  15.3663      1.55195  15.3852      1.42296  3.84685  0.201718  3.86104  0.184272  
1 1 1 50 34 12 o 1.50445  0.288402  2.52159      0.836822 3.94995      1.1814   1.0833       1.1855   1.89428  0.311834  1.04719  0.401985  
1 1 1 50 34 13 o 2.04479  0.212778  4.39574      0.870174 3.52009      1.27374  5.16207      1.19158  1.7147   0.381401  2.18126  0.273142  
1 1 1 50 34 14 o 3.00462  0.157554  9.3          0.946781 8.11765      1.43515  10.2111      1.25982  2.73779  0.2621    3.11957  0.201922  
1 1 1 50 34 15 o 1.8487   0.233451  3.65183      0.863163 4.75002      1.25528  2.66683      1.18883  2.06236  0.30433   1.46607  0.396075  
1 1 1 50 34 16 o 1.72142  0.235513  3.18571      0.810835 3.9949       1.14627  2.37533      1.14712  1.88373  0.304255  1.37402  0.395826  
1 1 1 50 34 17 o 0.819614 0.326924  0.575131     0.805401 -0.536191    1.13068  1.7198       1.14752  0.712362 0.330676  1.16745  0.403488  
1 1 1 50 34 18 o 3.092    0.156915  9.95786      0.970359 11.6146      1.2949   7.83599      1.46546  3.3018   0.196091  2.6312   0.278477  
1 1 1 50 34 19 o 0.872719 0.332172  0.82281      0.803855 1.18245      1.13581  0.461887     1.13784  1.00045  0.391446  0.851207 0.367108  
1 1 1 50 34 20 o 1.58919  0.257289  2.8555       0.817762 2.84496      1.14731  2.86639      1.1659   1.45557  0.387239  1.4565   0.391675  
1 1 1 50 34 21 o 1.86218  0.227156  3.89079      0.846011 3.97917      1.17617  3.79604      1.2178   1.74771  0.348836  1.67576  0.373077  
1 1 1 50 34 22 o 0.560675 0.269956  -0.830389    0.893303 -1.23631     1.16805  -0.258439    1.3865   0.608082 0.296406  0.754533 0.354738  
1 1 1 50 34 23 o 0.665146 0.303522  -0.0416635   0.904851 0.166332     1.22898  -0.287887    1.33716  0.767316 0.351617  0.73329  0.345804  
1 1 1 50 34 24 o 0.805575 0.337858  0.8541       0.918451 0.229231     1.33256  1.41957      1.26764  0.751958 0.352349  0.919021 0.391645  
1 1 1 50 34 25 o 0.989748 0.371617  1.71552      0.996081 2.31683      1.50772  1.24982      1.32688  1.01423  0.429468  0.861781 0.382796  
1 1 1 50 34 26 o 0.488726 0.243649  -1.51781     0.962384 -0.946247    1.39783  -2.0329      1.32697  0.624329 0.308017  0.545476 0.274466  
1 1 1 50 35 0  o 1.70254  0.254342  3.14767      0.808082 3.14767      0.808082 3.14767      0.808082 1.7415   0.16762   ?        ?         
1 1 1 50 35 1  o 0.899703 0.273615  0.867116     0.536065 0.592197     0.724315 1.20009      0.797125 0.835024 0.316044  1.05102  0.336126  
1 1 1 50 35 2  o 0.977111 0.313444  1.02185      0.692787 1.07477      1.09375  0.986394     0.895283 1.05255  0.390552  0.993703 0.3551    
1 1 1 50 35 3  o 1.80299  0.189424  3.34101      0.683056 2.55785      1.01611  3.98668      0.922615 1.50554  0.34472   1.95495  0.235969  
1 1 1 50 35 4  o 3.57942  0.107766  12.9305      0.771479 12.9045      1.12275  12.9538      1.06187  3.55724  0.157812  3.56787  0.14881   
1 1 1 50 35 5  o 2.02746  0.16599   4.20391      0.673074 4.34633      0.965083 4.06903      0.939187 2.03832  0.236735  1.9717   0.238167  
1 1 1 50 35 6  o 1.22055  0.33034   1.6863       0.82604  0.928093     1.19807  2.37333      1.14045  1.02818  0.402086  1.42453  0.389314  
1 1 1 50 35 7  o 3.36435  0.136393  11.5035      0.917747 12.2638      1.2993   10.7464      1.29648  3.44881  0.188369  3.22157  0.201219  
1 1 1 50 35 8  o 3.87716  0.127217  15.2471      0.986482 14.8408      1.41331  15.6332      1.37756  3.79459  0.186228  3.90044  0.176591  
1 1 1 50 35 9  o 2.07983  0.208765  4.50112      0.868391 4.5125       1.27897  4.49139      1.18284  2.03274  0.314593  2.04107  0.289759  
1 1 1 50 35 10 o 1.52846  0.316774  2.64668      0.93578  3.34635      1.42759  2.11956      1.23912  1.6522   0.428498  1.32628  0.418566  
1 1 1 50 35 11 o 1.0575   0.348666  1.2631       0.855335 1.52734      1.24728  1.02853      1.17519  1.15863  0.418624  1.02825  0.399023  
1 1 1 50 35 12 o 2.54919  0.176931  6.73583      0.90206  8.47258      1.33043  5.25809      1.22722  2.8206   0.235842  2.19508  0.279539  
1 1 1 50 35 13 o 0.663577 0.297381  -0.1842      0.81732  0.204227     1.18414  -0.53762     1.12952  0.854047 0.371491  0.72367  0.333842  
1 1 1 50 35 14 o 1.23886  0.32193   1.79945      0.804798 0.721094     1.15911  2.8032       1.1183   0.943182 0.385977  1.51942  0.370762  
1 1 1 50 35 15 o 1.52852  0.279884  2.64516      0.823752 2.08312      1.16028  3.21636      1.1697   1.28207  0.405076  1.62394  0.368507  
1 1 1 50 35 16 o 3.1628   0.140819  10.3065      0.890765 10.8522      1.26266  9.7657       1.25682  3.20062  0.197253  3.02705  0.207599  
1 1 1 50 35 17 o 0.914012 0.334592  0.934675     0.79907  1.23323      1.11685  0.621578     1.14374  1.02216  0.390811  0.891329 0.375571  
1 1 1 50 35 18 o 1.04261  0.338806  1.35101      0.807644 1.40333      1.14707  1.29958      1.13736  1.05486  0.398168  1.02842  0.394039  
1 1 1 50 35 19 o 0.752733 0.314145  0.400371     0.787889 1.40841      1.11095  -0.619717    1.11757  1.04682  0.392575  0.679409 0.319147  
1 1 1 50 35 20 o 0.504289 0.245702  -1.09057     0.799282 -1.20392     1.1193   -0.97264     1.14174  0.606928 0.294353  0.636122 0.306016  
1 1 1 50 35 21 o 0.684619 0.306465  0.0963123    0.865843 -0.855552    1.15468  1.31904      1.3087   0.640822 0.308148  0.974686 0.405701  
1 1 1 50 35 22 o 0.994654 0.360815  1.4146       0.927391 1.81511      1.25223  0.928079     1.38015  1.06486  0.412169  0.898533 0.395855  
1 1 1 50 35 23 o 1.06945  0.363753  1.82463      0.93096  0.942371     1.34889  2.62714      1.28648  0.850136 0.381486  1.18506  0.425451  
1 1 1 50 35 24 o 0.56471  0.273062  -0.65404     0.942331 0.225353     1.3628   -1.45971     1.30443  0.736193 0.347775  0.587024 0.291392  
1 1 1 50 35 25 o 1.18833  0.383321  2.48618      1.03506  0.900175     1.53185  3.81864      1.40407  0.810234 0.37932   1.35914  0.446721  
1 1 1 50 36 0  o 1.35205  0.338611  2.20606      0.791137 2.20606      0.791137 2.20606      0.791137 1.43027  0.208685  ?        ?         
1 1 1 50 36 1  o 0.969916 0.264039  1.03143      0.525842 1.02232      0.729194 1.04129      0.759007 0.976585 0.321931  0.98648  0.328446  
1 1 1 50 36 2  o 0.65558  0.285785  -0.0385958   0.703796 -0.757468    1.1086   0.44675      0.910905 0.701815 0.326415  0.844915 0.343364  
1 1 1 50 36 3  o 3.8982   0.101961  15.3343      0.794928 15.9346      1.17448  14.8269      1.07987  3.95388  0.148522  3.81735  0.141442  
1 1 1 50 36 4  o 1.92107  0.181752  3.79761      0.698317 4.57736      1.08986  3.25452      0.909551 2.07764  0.262284  1.75297  0.259432  
1 1 1 50 36 5  o 1.62727  0.224257  2.76548      0.729851 1.75155      1.09109  3.58658      0.981864 1.23353  0.393124  1.83673  0.267286  
1 1 1 50 36 6  f 1.85004  0.228572  3.58351      0.845737 4.3512       1.24464  2.92498      1.15275  2.0005   0.31108   1.58858  0.369471  
1 1 1 50 36 7  o 3.12852  0.145852  9.98601      0.912604 10.0963      1.32007  9.88501      1.26305  3.11161  0.21212   3.08315  0.204831  
1 1 1 50 36 8  o 1.54971  0.287232  2.66677      0.856828 2.6962       1.28514  2.64322      1.14963  1.48841  0.415845  1.49109  0.383416  
1 1 1 50 36 9  o 0.83346  0.333575  0.519085     0.841828 0.578177     1.18655  0.459195     1.19454  0.934217 0.387418  0.912527 0.38413   
1 1 1 50 36 10 o 1.40175  0.302728  2.23762      0.824588 2.29997      1.22532  2.18601      1.11479  1.36385  0.413454  1.34077  0.391497  
1 1 1 50 36 11 o 0.925187 0.336062  0.889748     0.804748 0.726572     1.16985  1.03633      1.10878  0.951902 0.388355  1.01103  0.388569  
1 1 1 50 36 12 o 2.64042  0.16439   7.20667      0.868118 7.01461      1.213    7.40833      1.24296  2.5604   0.236877  2.63181  0.236142  
1 1 1 50 36 13 o 2.08321  0.199446  4.5659       0.830974 3.26028      1.14902  5.99757      1.20321  1.6487   0.358475  2.34979  0.256024  
1 1 1 50 36 14 o 1.87145  0.22167   3.74655      0.829689 3.37998      1.20532  4.07665      1.14381  1.65951  0.372357  1.90071  0.300889  
1 1 1 50 36 15 o 3.09549  0.147255  9.90522      0.911655 9.06371      1.28327  10.7627      1.29536  2.90209  0.221094  3.17946  0.203708  
1 1 1 50 36 16 o 0.744732 0.313254  0.325036     0.793387 0.391267     1.13712  0.262211     1.1075   0.84517  0.365778  0.815665 0.357006  
1 1 1 50 36 17 o 0.806514 0.323082  0.594776     0.790713 0.493042     1.10338  0.70218      1.13371  0.849719 0.363851  0.89605  0.375566  
1 1 1 50 36 18 f 0.882917 0.331444  0.876142     0.792286 2.00317      1.13265  -0.203633    1.10866  1.20683  0.401227  0.731623 0.334717  
1 1 1 50 36 19 f 1.36902  0.313381  2.35737      0.839932 2.40911      1.14309  2.29665      1.2383   1.2907   0.400986  1.23733  0.419521  
1 1 1 50 36 20 o 0.606943 0.284854  -0.439291    0.883704 -1.8052      1.19566  1.20511      1.3119   0.573573 0.283431  0.95571  0.402444  
1 1 1 50 36 21 o 1.0868   0.362698  1.71087      0.925568 2.07961      1.23945  1.24601      1.39163  1.13308  0.416525  0.951947 0.408158  
1 1 1 50 36 22 o 0.737169 0.319254  0.505084     0.867367 0.909653     1.27999  0.161573     1.17945  0.852664 0.377706  0.734881 0.339824  
1 1 1 50 36 23 o 1.42937  0.338197  3.01659      0.952933 2.69099      1.33393  3.35594      1.36181  1.14421  0.42996   1.29536  0.439946  
1 1 1 50 36 24 o 0.85575  0.357143  1.16212      1.01835  0.779893     1.52717  1.46815      1.36652  0.808454 0.378532  0.896424 0.394425  
1 1 1 50 36 25 o 1.0382   0.378596  2.24463      1.02222  2.0229       1.42586  2.47909      1.46626  0.872697 0.3919    0.931297 0.409174  
1 1 1 50 37 0  o 0.685602 0.385625  0.708247     0.792005 0.708247     0.792005 0.708247     0.792005 0.67456  0.339776  ?        ?         
1 1 1 50 37 1  o 3.84349  0.0895505 14.8803      0.688373 14.6326      0.906495 15.2176      1.05798  3.80069  0.119254  3.86813  0.136756  
1 1 1 50 37 2  o 3.03272  0.124479  9.32894      0.75502  9.84328      1.1409   8.92816      1.0071   3.08915  0.184662  2.94857  0.170777  
1 1 1 50 37 3  o 1.44606  0.236799  2.20174      0.68485  3.13649      1.0475   1.50388      0.905082 1.66797  0.32562   1.14874  0.35679   
1 1 1 50 37 4  o 2.45114  0.154602  6.14798      0.757904 5.21992      1.21083  6.74583      0.971829 2.2055   0.274502  2.55278  0.190347  
1 1 1 50 37 5  o 2.03131  0.199431  4.29294      0.810212 4.42319      1.16826  4.17223      1.12462  2.01967  0.289219  1.96299  0.286454  
1 1 1 50 37 6  o 0.481587 0.237201  -1.5612      0.806754 -2.61443     1.21946  -0.741452    1.07584  0.564827 0.280561  0.684484 0.319589  
1 1 1 50 37 7  o 2.57883  0.169235  6.86055      0.872859 7.26484      1.22771  6.44731      1.24122  2.61683  0.234579  2.45378  0.25292   
1 1 1 50 37 8  o 3.7409   0.128869  14.2623      0.964171 13.4253      1.34329  15.1517      1.38475  3.59223  0.186971  3.8207   0.181216  
1 1 1 50 37 9  o 1.98974  0.212787  4.175        0.846782 4.73131      1.22407  3.66445      1.17265  2.0693   0.29577   1.77347  0.342846  
1 1 1 50 37 10 o 1.00196  0.336457  1.1327       0.796481 0.0595479    1.12903  2.19591      1.12378  0.813567 0.35824   1.33478  0.394141  
1 1 1 50 37 11 o 0.812687 0.32536   0.515462     0.801219 0.574866     1.13694  0.456856     1.12929  0.908437 0.378135  0.882933 0.372668  
1 1 1 50 37 12 o 3.0096   0.15866   9.36597      0.955004 11.5632      1.27867  6.59416      1.43616  3.31784  0.192697  2.42773  0.295783  
1 1 1 50 37 13 o 2.58645  0.16622   6.9623       0.859842 7.61063      1.20336  6.28598      1.22905  2.66066  0.226139  2.39406  0.256688  
1 1 1 50 37 14 o 1.75697  0.234379  3.35745      0.82359  4.27245      1.20296  2.55018      1.12993  1.92131  0.313058  1.40641  0.388912  
1 1 1 50 37 15 o 0.658849 0.294537  -0.0799954   0.7974   0.123775     1.11007  -0.297243    1.14619  0.790306 0.350702  0.737161 0.338538  
1 1 1 50 37 16 o 1.28355  0.317602  2.02336      0.811919 1.73188      1.16199  2.30143      1.13494  1.13775  0.404752  1.30332  0.398477  
1 1 1 50 37 17 o 0.514986 0.249708  -1.06463     0.804745 -1.45606     1.08627  -0.588468    1.19809  0.582629 0.28433   0.705784 0.33132   
1 1 1 50 37 18 o 0.842417 0.335218  0.771121     0.844938 0.108984     1.17523  1.47958      1.21564  0.776131 0.351766  1.0345   0.404928  
1 1 1 50 37 19 o 1.20409  0.349416  1.9987       0.890702 2.45546      1.20447  1.44747      1.32317  1.25788  0.413751  1.00257  0.411685  
1 1 1 50 37 20 o 0.812746 0.333798  0.727232     0.870014 0.800365     1.26317  0.661228     1.20003  0.87151  0.381362  0.841792 0.370006  
1 1 1 50 37 21 o 1.18006  0.339709  2.00715      0.845209 2.1617       1.1896   1.8496       1.20109  1.12263  0.408513  1.04335  0.403702  
1 1 1 50 37 22 o 1.56202  0.313255  3.38515      0.944125 4.32777      1.39719  2.59306      1.28078  1.54638  0.434101  1.14664  0.423193  
1 1 1 50 37 23 o 1.84199  0.305314  4.63987      1.12477  5.72456      1.61422  3.61628      1.56811  1.74656  0.456898  1.25787  0.467456  
1 1 1 50 37 24 o 0.762842 0.336205  0.911419     0.996858 0.976368     1.34963  0.833449     1.47874  0.770969 0.359187  0.757843 0.360009  
1 1 1 50 38 0  o 0.514951 0.339161  -0.00517534  0.855853 -0.00517534  0.855853 -0.00517534  0.855853 0.437201 0.286885  ?        ?         
1 1 1 50 38 1  o 3.0775   0.115167  9.60506      0.708853 8.35837      0.952694 11.1512      1.06096  2.84895  0.167201  3.29413  0.161038  
1 1 1 50 38 2  o 1.53887  0.231669  2.5052       0.713018 2.20868      1.15163  2.68953      0.907979 1.35147  0.39897   1.54401  0.304885  
1 1 1 50 38 3  o 0.744741 0.303074  0.340248     0.71067  0.527687     1.20028  0.239068     0.88186  0.92587  0.387156  0.777554 0.32881   
1 1 1 50 38 4  o 2.5244   0.163288  6.56383      0.824407 5.9277       1.27781  7.01742      1.07901  2.3379   0.273282  2.58612  0.208616  
1 1 1 50 38 5  o 1.01919  0.336116  1.16947      0.794871 1.00201      1.17206  1.31208      1.08161  1.01678  0.397683  1.08397  0.390013  
1 1 1 50 38 6  o 1.02708  0.340105  1.19505      0.81385  -0.473578    1.16358  2.79317      1.13874  0.745767 0.341906  1.52211  0.375823  
1 1 1 50 38 7  o 1.64348  0.252215  2.91062      0.829022 3.17513      1.16855  2.64258      1.17631  1.62905  0.367406  1.46583  0.393076  
1 1 1 50 38 8  o 2.19419  0.193149  5.03742      0.847611 4.57829      1.20497  5.48713      1.19253  2.0317   0.296542  2.24631  0.265443  
1 1 1 50 38 9  o 2.75956  0.15831   7.8584       0.873734 7.18167      1.24129  8.52295      1.23008  2.58631  0.239973  2.83534  0.216918  
1 1 1 50 38 10 o 0.784949 0.319836  0.428201     0.792453 -0.757005    1.11065  1.65729      1.13102  0.684022 0.320724  1.16558  0.400796  
1 1 1 50 38 11 o 0.543979 0.259933  -0.853346    0.789637 0.00244674   1.13251  -1.66301     1.10156  0.794743 0.353263  0.584435 0.285416  
1 1 1 50 38 12 o 2.97565  0.14806   9.15244      0.881146 8.8382       1.21993  9.4952       1.2741   2.8753   0.212139  2.97868  0.213869  
1 1 1 50 38 13 o 0.683233 0.300132  0.0403646    0.78861  0.0658626    1.0972   0.0131154    1.13425  0.782748 0.34784   0.784261 0.350924  
1 1 1 50 38 14 o 1.87586  0.221664  3.83372      0.831622 4.70915      1.22211  3.07875      1.13491  2.00713  0.304441  1.54743  0.370966  
1 1 1 50 38 15 o 0.523029 0.25314   -1.05034     0.816991 -0.833426    1.1166   -1.30025     1.19855  0.657454 0.312564  0.636001 0.307607  
1 1 1 50 38 16 o 1.80305  0.236698  3.62106      0.853557 3.35247      1.18731  3.90835      1.22793  1.5912   0.378154  1.73916  0.3647    
1 1 1 50 38 17 o 1.84156  0.240805  3.85328      0.886915 4.90491      1.26686  2.84241      1.24208  1.99094  0.318158  1.38624  0.415478  
1 1 1 50 38 18 o 0.689193 0.304083  0.181851     0.818558 -0.446019    1.19652  0.734217     1.12227  0.695801 0.327828  0.853469 0.366254  
1 1 1 50 38 19 o 1.10456  0.351299  1.72482      0.871599 1.25764      1.26858  2.14255      1.19957  0.952657 0.398165  1.15822  0.411325  
1 1 1 50 38 20 o 1.24202  0.331823  2.16366      0.840216 1.51849      1.17268  2.84426      1.20445  0.976703 0.392539  1.30942  0.412574  
1 1 1 50 38 21 o 0.969737 0.345149  1.47876      0.845054 1.60779      1.2312   1.36382      1.16198  0.945173 0.393466  0.902704 0.379372  
1 1 1 50 38 22 o 1.89625  0.267949  4.62333      1.01619  3.38201      1.56881  5.52067      1.33385  1.202    0.462146  1.9062   0.362934  
1 1 1 50 38 23 o 1.08405  0.375799  2.18717      0.996068 2.77737      1.39354  1.57066      1.42427  1.0713   0.42901   0.863522 0.389524  
1 1 1 50 39 0  o 0.865123 0.43663   1.23391      0.925826 1.23391      0.925826 1.23391      0.925826 0.918105 0.36845   ?        ?         
1 1 1 50 39 1  o 1.20429  0.259085  1.6174       0.606136 1.26096      0.786547 2.13861      0.951122 1.04851  0.333744  1.34233  0.350514  
1 1 1 50 39 2  o 0.637708 0.283278  -0.127186    0.726759 -2.06152     1.20949  0.965892     0.909202 0.597077 0.293606  0.964127 0.356414  
1 1 1 50 39 3  o 2.40149  0.160872  5.94901      0.772663 6.20334      1.26278  5.7968       0.976872 2.39164  0.263999  2.34681  0.208127  
1 1 1 50 39 4  o 0.99263  0.351659  1.08202      0.876321 0.936215     1.19214  1.25343      1.29256  0.99998  0.398096  1.08401  0.418925  
1 1 1 50 39 5  o 2.7283   0.156365  7.66955      0.853219 7.28835      1.18915  8.07401      1.22491  2.61716  0.227183  2.75834  0.222038  
1 1 1 50 39 6  o 1.15971  0.335724  1.58469      0.823237 1.91625      1.19802  1.28805      1.13316  1.24419  0.412641  1.07346  0.397682  
1 1 1 50 39 7  o 2.23131  0.187736  5.20612      0.837792 4.79352      1.21338  5.58204      1.15818  2.07718  0.292074  2.26843  0.255281  
1 1 1 50 39 8  o 1.02687  0.33879   1.22112      0.807565 1.62847      1.14812  0.822248     1.13611  1.15649  0.403218  0.955791 0.385444  
1 1 1 50 39 9  o 0.882966 0.332524  0.788669     0.798715 1.73735      1.12998  -0.158569    1.12912  1.18086  0.400754  0.768658 0.346773  
1 1 1 50 39 10 o 0.73546  0.310543  0.263956     0.784664 0.0236301    1.11158  0.502648     1.10779  0.787901 0.350123  0.873046 0.368829  
1 1 1 50 39 11 o 1.46995  0.293523  2.51588      0.832392 1.53793      1.13845  3.63922      1.22015  1.10872  0.400009  1.70912  0.367501  
1 1 1 50 39 12 o 0.930554 0.339678  0.989337     0.823038 0.589788     1.10863  1.47995      1.22848  0.87535  0.369344  1.08336  0.411136  
1 1 1 50 39 13 o 0.997378 0.342508  1.21766      0.82574  0.414703     1.12042  2.17233      1.22169  0.839397 0.363178  1.25375  0.416699  
1 1 1 50 39 14 o 1.32222  0.334358  2.19393      0.88522  2.92013      1.24016  1.4396       1.26395  1.45718  0.408954  1.06017  0.413322  
1 1 1 50 39 15 o 1.90531  0.225606  4.02042      0.859697 4.43984      1.21036  3.59338      1.2213   1.91449  0.316105  1.64205  0.379251  
1 1 1 50 39 16 o 0.867528 0.332089  0.892445     0.807235 -0.176947    1.15808  1.90306      1.12581  0.729009 0.336964  1.14028  0.399117  
1 1 1 50 39 17 o 1.01212  0.343966  1.40466      0.832432 0.759334     1.23869  1.93613      1.12411  0.869598 0.379109  1.12738  0.398398  
1 1 1 50 39 18 o 1.0969   0.34244   1.67688      0.832312 1.10087      1.16276  2.28216      1.19192  0.918091 0.382294  1.1963   0.411436  
1 1 1 50 39 19 o 0.994403 0.34858   1.46072      0.859028 1.20612      1.25104  1.68786      1.18163  0.912341 0.388943  1.01324  0.398547  
1 1 1 50 39 20 o 0.715025 0.313045  0.477197     0.85204  0.164032     1.27362  0.730898     1.14634  0.72997  0.342481  0.79216  0.353668  
1 1 1 50 39 21 o 0.670917 0.303037  0.269921     0.864815 0.0101661    1.25413  0.50542      1.19414  0.700725 0.332244  0.752534 0.345577  
1 1 1 50 39 22 o 0.90137  0.35855   1.43593      0.966334 1.70171      1.36785  1.17111      1.36536  0.902408 0.39585   0.826058 0.375842  
1 1 1 50 40 0  o 0.619244 0.380176  0.461936     0.887301 0.461936     0.887301 0.461936     0.887301 0.572564 0.334702  ?        ?         
1 1 1 50 40 1  o 1.11713  0.266489  1.4085       0.58792  1.5217       0.765306 1.2455       0.918351 1.14044  0.321644  1.04363  0.360931  
1 1 1 50 40 2  f 2.50363  0.153473  6.45712      0.768479 8.19939      1.23425  5.3541       0.982058 2.77673  0.22225   2.24597  0.218626  
1 1 1 50 40 3  o 3.08658  0.14117   9.77287      0.871464 6.8888       1.40147  11.591       1.11275  2.50009  0.280285  3.34494  0.166334  
1 1 1 50 40 4  o 1.93323  0.234784  4.00863      0.907782 4.63702      1.26549  3.34251      1.30292  2.02673  0.3122    1.63508  0.400954  
1 1 1 50 40 5  o 2.94609  0.153407  8.95429      0.903904 9.88964      1.31345  8.11273      1.24585  3.05068  0.215272  2.75466  0.226135  
1 1 1 50 40 6  o 1.1014   0.350356  1.45049      0.8669   1.03934      1.31689  1.76492      1.15162  1.02593  0.414462  1.19019  0.404573  
1 1 1 50 40 7  o 2.83606  0.160818  8.34702      0.912176 8.62298      1.32085  8.0954       1.26124  2.82633  0.233669  2.74163  0.230016  
1 1 1 50 40 8  o 2.32451  0.193739  5.71364      0.900696 5.06747      1.29222  6.32418      1.2561   2.10463  0.306995  2.39194  0.262569  
1 1 1 50 40 9  o 1.06171  0.346435  1.36871      0.844426 1.39848      1.20508  1.34         1.1836   1.07543  0.407472  1.06003  0.403182  
1 1 1 50 40 10 o 0.961929 0.34312   1.0833       0.835553 1.03137      1.19651  1.13273      1.16733  0.98182  0.395715  1.00115  0.395387  
1 1 1 50 40 11 o 1.04753  0.345712  1.36628      0.840903 0.601154     1.17939  2.15745      1.19929  0.886176 0.37771   1.2545   0.412861  
1 1 1 50 40 12 o 2.4427   0.185646  6.35615      0.906951 5.77085      1.24179  7.02529      1.32776  2.24624  0.276416  2.48921  0.266704  
1 1 1 50 40 13 o 0.698153 0.307208  0.0956176    0.829113 0.581965     1.19915  -0.349836    1.14763  0.877555 0.377652  0.722534 0.334532  
1 1 1 50 40 14 o 1.93761  0.229288  4.19398      0.888544 5.44565      1.32527  3.17188      1.19759  2.11365  0.313504  1.51231  0.39258   
1 1 1 50 40 15 f 0.91857  0.333624  1.07453      0.793096 0.298174     1.12824  1.83289      1.11509  0.787308 0.3512    1.11616  0.396557  
1 1 1 50 40 16 o 0.69989  0.303721  0.285805     0.788011 0.979575     1.13318  -0.363843    1.09655  0.89783  0.375853  0.677453 0.317831  
1 1 1 50 40 17 o 0.956837 0.341411  1.25729      0.827311 2.00253      1.19805  0.577992     1.14382  1.11932  0.409701  0.818682 0.360535  
1 1 1 50 40 18 o 0.900372 0.343392  1.15741      0.860514 2.38979      1.2443   0.027728     1.19133  1.16598  0.418436  0.72477  0.337587  
1 1 1 50 40 19 o 0.643221 0.295026  0.0578926    0.867466 -0.0763069   1.28908  0.168958     1.17272  0.706111 0.335764  0.716065 0.334077  
1 1 1 50 40 20 o 0.711259 0.312643  0.495245     0.856851 -1.20264     1.22204  2.13721      1.20175  0.58752  0.289411  1.04588  0.403993  
1 1 1 50 40 21 o 0.926989 0.354694  1.48462      0.920543 1.03733      1.31204  1.91828      1.29189  0.813808 0.369777  0.956364 0.400881  
1 1 1 50 41 0  o 1.72151  0.287141  3.3452       0.905782 3.3452       0.905782 3.3452       0.905782 1.78095  0.184338  ?        ?         
1 1 1 50 41 1  o 1.40735  0.268513  2.2355       0.728683 1.9083       1.14148  2.46054      0.94667  1.22927  0.402788  1.4349   0.335533  
1 1 1 50 41 2  o 2.22729  0.169053  5.16447      0.75306  4.60891      1.14699  5.5854       0.998385 2.03402  0.281951  2.28648  0.218323  
1 1 1 50 41 3  o 1.29482  0.326157  2.00356      0.844788 1.09996      1.25436  2.75364      1.14284  1.02567  0.408344  1.48141  0.383006  
1 1 1 50 41 4  f 0.598144 0.280084  -0.588103    0.836733 -1.45681     1.15598  0.367943     1.2127   0.620269 0.300361  0.873052 0.37779   
1 1 1 50 41 5  o 1.03055  0.341337  1.26345      0.819753 1.61357      1.1834   0.940468     1.13663  1.13638  0.408042  0.968998 0.387696  
1 1 1 50 41 6  o 1.29044  0.322496  2.00493      0.830862 2.55599      1.2488   1.56725      1.11294  1.38605  0.416838  1.11846  0.396295  
1 1 1 50 41 7  o 1.61521  0.25217   2.88308      0.814613 4.06545      1.23206  1.96471      1.08583  1.82235  0.350548  1.22822  0.392251  
1 1 1 50 41 8  o 0.831248 0.332501  0.634004     0.835733 1.89341      1.26904  -0.33049     1.11056  1.18454  0.422826  0.723043 0.332549  
1 1 1 50 41 9  o 0.937897 0.33828   1.02893      0.814143 0.165981     1.18636  1.7971       1.11931  0.813044 0.361476  1.1616   0.398784  
1 1 1 50 41 10 o 0.92063  0.336115  0.983821     0.805891 2.63802      1.18825  -0.425202    1.09666  1.39272  0.403395  0.701563 0.325664  
1 1 1 50 41 11 o 0.783114 0.320148  0.511584     0.796645 -0.76009     1.15284  1.67383      1.10212  0.675222 0.319392  1.11886  0.394574  
1 1 1 50 41 12 o 1.6551   0.254166  3.11137      0.841343 2.02021      1.18125  4.23484      1.19861  1.19178  0.409619  1.83564  0.339245  
1 1 1 50 41 13 o 1.71358  0.24967   3.36494      0.855658 2.32986      1.21276  4.39094      1.20743  1.24857  0.415172  1.85179  0.338607  
1 1 1 50 41 14 o 0.795828 0.326871  0.637758     0.834338 0.622734     1.21039  0.651361     1.15166  0.849714 0.372555  0.846281 0.367209  
1 1 1 50 41 15 o 0.692091 0.303437  0.233116     0.802891 1.57782      1.16349  -0.989385    1.10936  1.02624  0.397281  0.612413 0.296154  
1 1 1 50 41 16 o 0.726563 0.310043  0.422947     0.79631  0.313951     1.12861  0.530997     1.12371  0.771248 0.347386  0.80573  0.35579   
1 1 1 50 41 17 o 0.646787 0.294163  0.0601625    0.834617 0.646749     1.19907  -0.491123    1.16243  0.804956 0.360482  0.655404 0.313702  
1 1 1 50 41 18 o 0.598363 0.280045  -0.171077    0.832616 0.0798798    1.19831  -0.405329    1.15774  0.707496 0.331984  0.647962 0.310844  
1 1 1 50 41 19 o 0.674692 0.301966  0.31628      0.84027  -0.867168    1.18027  1.53258      1.19654  0.603992 0.295076  0.918975 0.385534  
1 1 1 50 41 20 o 0.765491 0.331982  0.792134     0.940379 2.21116      1.38771  -0.412819    1.27876  0.993485 0.415914  0.65164  0.315614  
1 1 1 50 42 0  o 4.94725  0.163853  25.0812      1.61721  25.0812      1.61721  25.0812      1.61721  4.97762  0.115007  ?        ?         
1 1 1 50 42 1  o 0.633848 0.290968  -0.358778    0.845712 -0.161989    1.14727  -0.592975    1.25156  0.763557 0.346634  0.736625 0.344233  
1 1 1 50 42 2  o 0.932822 0.332254  0.988225     0.783215 2.21454      1.1402   -0.107334    1.0777   1.29807  0.399916  0.750811 0.33875   
1 1 1 50 42 3  o 0.507698 0.24783   -1.27835     0.827307 -1.05823     1.26702  -1.44194     1.0923   0.688728 0.329137  0.594783 0.289187  
1 1 1 50 42 4  o 1.56267  0.29247   2.85207      0.880225 3.74352      1.20777  1.84214      1.28552  1.73333  0.360363  1.17572  0.424974  
1 1 1 50 42 5  o 1.53917  0.28266   2.75463      0.837612 2.50484      1.19768  2.99376      1.17187  1.36154  0.407966  1.51529  0.385614  
1 1 1 50 42 6  o 1.75815  0.243353  3.42452      0.855704 3.8711       1.26589  3.04877      1.16118  1.73826  0.374814  1.52996  0.380579  
1 1 1 50 42 7  f 1.07834  0.3441    1.46066      0.835733 0.901076     1.22762  1.94403      1.14095  0.950214 0.39406   1.19943  0.402693  
1 1 1 50 42 8  o 0.92058  0.340684  0.979456     0.831171 1.31276      1.22959  0.69901      1.12789  1.03363  0.40656   0.892642 0.37439   
1 1 1 50 42 9  o 1.91341  0.221331  4.00904      0.846994 4.97023      1.23525  3.15611      1.16361  2.05668  0.300303  1.54985  0.378208  
1 1 1 50 42 10 o 1.74277  0.240608  3.4015       0.838652 2.79743      1.23545  3.91773      1.1421   1.40545  0.412706  1.77115  0.334624  
1 1 1 50 42 11 o 0.74221  0.318655  0.339901     0.850201 -0.37975     1.22861  1.0012       1.17774  0.725737 0.339752  0.933608 0.386498  
1 1 1 50 42 12 o 2.9313   0.158997  9.13254      0.932135 8.35047      1.32137  9.90725      1.31513  2.69609  0.245053  2.97252  0.221215  
1 1 1 50 42 13 o 0.608832 0.283479  -0.315131    0.839042 0.0854861    1.2442   -0.649277    1.1363   0.769712 0.353163  0.656566 0.313272  
1 1 1 50 42 14 o 2.00826  0.222798  4.58759      0.89487  3.73761      1.26412  5.4414       1.26696  1.59291  0.39761   2.08261  0.304176  
1 1 1 50 42 15 o 0.647691 0.293393  0.0109186    0.816446 0.0249408    1.16025  -0.00283537  1.14909  0.733653 0.338411  0.727737 0.3361    
1 1 1 50 42 16 o 0.790889 0.322938  0.800073     0.809612 2.12854      1.16414  -0.444329    1.12671  1.09468  0.403551  0.646803 0.309407  
1 1 1 50 42 17 o 0.486934 0.239859  -1.06741     0.81368  -1.08255     1.14695  -1.05207     1.15453  0.582759 0.286355  0.587125 0.288114  
1 1 1 50 42 18 o 0.676591 0.303702  0.308046     0.855458 0.803124     1.23605  -0.147104    1.18516  0.797913 0.361242  0.673838 0.321139  
1 1 1 50 42 19 o 0.776505 0.326269  0.863551     0.859151 1.71025      1.2286   0.0532609    1.20189  0.9247   0.389425  0.683825 0.324713  
1 1 1 50 43 0  o 2.74731  0.254749  8.17276      1.37208  8.17276      1.37208  8.17276      1.37208  2.80463  0.174514  ?        ?         
1 1 1 50 43 1  o 0.882719 0.34738   0.806582     0.898107 0.756913     1.28251  0.854375     1.25807  0.931241 0.395301  0.945933 0.396009  
1 1 1 50 43 2  o 3.0578   0.158877  9.78609      0.971628 10.1001      1.36086  9.45958      1.38771  3.04091  0.223759  2.9279   0.236981  
1 1 1 50 43 3  o 0.725261 0.317686  0.13852      0.878399 1.16975      1.22045  -0.969814    1.26525  1.00461  0.401825  0.689775 0.329463  
1 1 1 50 43 4  o 1.35993  0.323589  2.27912      0.868563 1.73906      1.19646  2.88083      1.2629   1.13824  0.410131  1.44555  0.41496   
1 1 1 50 43 5  o 0.744227 0.317357  0.302373     0.833293 0.554323     1.19086  0.0606531    1.16643  0.87558  0.376563  0.788384 0.354238  
1 1 1 50 43 6  o 1.37468  0.320883  2.32903      0.867016 1.18412      1.25169  3.38501      1.2021   1.00372  0.404657  1.60724  0.379569  
1 1 1 50 43 7  o 1.26562  0.328887  2.01148      0.839949 2.18834      1.21111  1.84758      1.16591  1.24531  0.414891  1.15709  0.406053  
1 1 1 50 43 8  f 1.521    0.29741   2.79824      0.872455 1.93262      1.25921  3.59745      1.20994  1.15799  0.420402  1.64579  0.375707  
1 1 1 50 43 9  o 2.38816  0.193112  6.19142      0.922362 8.34823      1.37906  4.44565      1.24071  2.69404  0.255947  1.85743  0.346871  
1 1 1 50 43 10 o 0.793008 0.327991  0.598405     0.84694  0.802119     1.2179   0.407637     1.17857  0.887467 0.381216  0.815306 0.361634  
1 1 1 50 43 11 o 1.20381  0.341163  1.97088      0.858987 1.82193      1.27415  2.09499      1.16302  1.08294  0.416466  1.16737  0.40594   
1 1 1 50 43 12 o 0.865532 0.3327    0.940467     0.812943 1.1861       1.14312  0.689123     1.15634  0.938881 0.383609  0.843844 0.36708   
1 1 1 50 43 13 o 1.51024  0.301988  2.91162      0.879909 2.44249      1.30014  3.3081       1.19523  1.20769  0.428287  1.49019  0.394694  
1 1 1 50 43 14 o 0.951658 0.341537  1.29866      0.828986 -0.250264    1.14077  3.03189      1.20673  0.685176 0.322026  1.36916  0.409355  
1 1 1 50 43 15 o 0.974589 0.340055  1.45206      0.816723 1.36647      1.16002  1.5362       1.15009  0.913695 0.381241  0.949123 0.385783  
1 1 1 50 43 16 o 0.760533 0.320005  0.735686     0.828394 -0.0597991   1.16814  1.54045      1.17494  0.680859 0.321798  0.924935 0.384664  
1 1 1 50 43 17 o 0.567616 0.270892  -0.42093     0.85088  -0.076844    1.17452  -0.800974    1.23436  0.681288 0.322318  0.623064 0.303888  
1 1 1 50 43 18 o 0.691225 0.308608  0.466357     0.872872 1.08089      1.21993  -0.178291    1.24946  0.809119 0.362943  0.661563 0.318712  
1 1 1 50 44 0  o 4.08632  0.194368  17.4189      1.58031  17.4189      1.58031  17.4189      1.58031  4.13031  0.135605  ?        ?         
1 1 1 50 44 1  o 1.87852  0.245844  3.94463      0.923646 5.20938      1.32493  2.74884      1.28831  2.08619  0.317548  1.391    0.424399  
1 1 1 50 44 2  o 1.99491  0.231856  4.39841      0.925065 3.35885      1.2906   5.49681      1.32662  1.56523  0.40811   2.15243  0.308169  
1 1 1 50 44 3  o 0.984781 0.353414  1.2035       0.88764  0.532297     1.23663  1.91686      1.27486  0.87282  0.379646  1.16509  0.423004  
1 1 1 50 44 4  o 1.71057  0.268518  3.36255      0.918639 2.00097      1.29156  4.7566       1.30688  1.17782  0.425948  1.93739  0.350105  
1 1 1 50 44 5  o 1.30302  0.333991  2.17642      0.874405 3.42915      1.1855   0.681791     1.29492  1.6016   0.376107  0.896671 0.389231  
1 1 1 50 44 6  o 2.2006   0.200989  5.28704      0.884591 5.97084      1.27149  4.64562      1.23147  2.2479   0.282819  1.94543  0.316503  
1 1 1 50 44 7  o 0.907899 0.344839  1.01652      0.864839 -0.190225    1.25708  2.10095      1.19167  0.751417 0.348754  1.18593  0.411051  
1 1 1 50 44 8  o 0.727879 0.317796  0.284936     0.873111 0.633319     1.20869  -0.0952225   1.26261  0.854365 0.373459  0.758226 0.350993  
1 1 1 50 44 9  o 0.720582 0.314223  0.299538     0.851408 -0.13017     1.19447  0.743345     1.21391  0.733131 0.340148  0.865679 0.376334  
1 1 1 50 44 10 o 0.986186 0.3431    1.33604      0.830902 2.40301      1.15782  0.203022     1.19312  1.24562  0.40566   0.773316 0.35171   
1 1 1 50 44 11 o 0.847335 0.334642  0.879807     0.836205 1.19371      1.1834   0.566786     1.18174  0.936936 0.387624  0.82284  0.363908  
1 1 1 50 44 12 o 1.04977  0.350474  1.58654      0.864227 1.82886      1.21684  1.3399       1.22763  1.06176  0.407355  0.955948 0.395104  
1 1 1 50 44 13 o 0.675178 0.303086  0.223547     0.852107 -0.478965    1.22845  0.874999     1.18296  0.666596 0.319883  0.833894 0.366946  
1 1 1 50 44 14 o 0.659153 0.296345  0.22004      0.817529 -0.802584    1.13325  1.32974      1.18052  0.605733 0.294526  0.895926 0.379729  
1 1 1 50 44 15 o 0.704154 0.31223   0.455663     0.877598 0.0917076    1.21987  0.846116     1.2635   0.701693 0.330724  0.800237 0.363415  
1 1 1 50 44 16 o 0.778012 0.32436   0.812707     0.838629 0.804249     1.19244  0.820984     1.17967  0.794237 0.357444  0.796115 0.357012  
1 1 1 50 44 17 o 0.751453 0.319911  0.823339     0.844291 2.52894      1.21818  -0.753271    1.17122  1.0676   0.408163  0.590607 0.28994   
1 1 1 50 45 0  o 0.703179 0.441658  0.762669     1.26399  0.762669     1.26399  0.762669     1.26399  0.672467 0.396636  ?        ?         
1 1 1 50 45 1  o 0.919026 0.351692  1.04182      0.905122 -0.204898    1.28211  2.28049      1.27797  0.75739  0.351788  1.22276  0.425496  
1 1 1 50 45 2  o 1.11223  0.357869  1.68292      0.902584 1.68979      1.26152  1.67572      1.29192  1.07698  0.41435   1.07273  0.41794   
1 1 1 50 45 3  o 2.25224  0.206611  5.59394      0.930677 5.62542      1.2986   5.56069      1.33449  2.14772  0.30232   2.11925  0.314849  
1 1 1 50 45 4  o 0.694732 0.30996   0.0947536    0.879181 -0.23076     1.26062  0.403016     1.22677  0.742852 0.346495  0.822212 0.366507  
1 1 1 50 45 5  o 0.714907 0.31553   0.210944     0.882313 0.764798     1.24422  -0.3493      1.25137  0.879188 0.381587  0.723508 0.339454  
1 1 1 50 45 6  o 1.00338  0.359251  1.39681      0.916728 1.51855      1.34642  1.2916       1.25166  1.01605  0.415929  0.971263 0.399883  
1 1 1 50 45 7  o 2.93028  0.170283  9.26211      0.997955 9.50782      1.39477  9.00437      1.42848  2.86316  0.243571  2.76227  0.258571  
1 1 1 50 45 8  o 0.747071 0.321203  0.43326      0.866015 0.608994     1.20382  0.244764     1.24677  0.835893 0.368792  0.787791 0.358624  
1 1 1 50 45 9  o 0.919972 0.34033   1.13725      0.829291 0.869939     1.18235  1.39609      1.16347  0.873457 0.375418  0.978457 0.391928  
1 1 1 50 45 10 o 0.699874 0.308672  0.255862     0.8423   0.720673     1.1614   -0.259894    1.2234   0.838799 0.366373  0.710666 0.333854  
1 1 1 50 45 11 o 0.518548 0.252874  -0.966022    0.853558 -1.79485     1.2028   -0.12519     1.21148  0.558159 0.27744   0.705179 0.331552  
1 1 1 50 45 12 f 0.63563  0.292387  0.00751416   0.858841 -0.0844051   1.15851  0.119667     1.27968  0.687276 0.323451  0.729997 0.342637  
1 1 1 50 45 13 o 0.826142 0.336001  1.00412      0.872955 0.863692     1.24217  1.14115      1.22706  0.808494 0.364287  0.851581 0.374231  
1 1 1 50 45 14 o 0.74024  0.321416  0.622718     0.883471 1.89181      1.20849  -0.834136    1.2948   0.991831 0.398543  0.630889 0.308413  
1 1 1 50 45 15 o 0.79398  0.332909  0.909678     0.891356 1.01127      1.23413  0.798886     1.28879  0.81679  0.365749  0.789147 0.360973  
1 1 1 50 45 16 o 0.68876  0.30731   0.57518      0.864307 1.91342      1.23528  -0.708318    1.20975  0.903151 0.3858    0.589672 0.290437  
1 1 1 50 46 0  o 0.894634 0.487702  1.63632      1.21991  1.63632      1.21991  1.63632      1.21991  0.985132 0.427065  ?        ?         
1 1 1 50 46 1  o 0.713697 0.315827  0.222944     0.891895 -1.34294     1.25667  1.81226      1.26604  0.623496 0.304575  1.07559  0.414826  
1 1 1 50 46 2  o 1.48265  0.318752  2.85563      0.918053 4.26507      1.29974  1.45232      1.29691  1.73452  0.384822  0.997063 0.408193  
1 1 1 50 46 3  o 1.48436  0.310708  2.82999      0.892643 2.81207      1.24819  2.84875      1.27708  1.33507  0.419867  1.33569  0.425277  
1 1 1 50 46 4  o 0.835853 0.337708  0.811428     0.874433 0.667922     1.2368   0.954858     1.23647  0.850389 0.374678  0.898588 0.384987  
1 1 1 50 46 5  o 1.14627  0.360388  1.88203      0.919683 1.68952      1.29056  2.08067      1.31094  1.04103  0.414277  1.12588  0.425459  
1 1 1 50 46 6  o 1.77885  0.274432  3.83509      0.976347 2.0271       1.40839  5.50786      1.3547   1.09664  0.433917  2.05536  0.329553  
1 1 1 50 46 7  o 1.35873  0.339325  2.53056      0.920323 1.66956      1.30805  3.37462      1.29511  1.02495  0.41348   1.45846  0.420726  
1 1 1 50 46 8  o 2.24718  0.219346  5.79852      0.985819 6.07304      1.39855  5.52742      1.38981  2.13966  0.326815  1.98111  0.364405  
1 1 1 50 46 9  o 1.00407  0.359487  1.58093      0.917926 0.396999     1.29855  2.76339      1.29774  0.777792 0.358483  1.22371  0.428493  
1 1 1 50 46 10 o 0.875283 0.342304  1.14712      0.86831  1.45413      1.1766   0.779949     1.28672  0.927941 0.385363  0.814631 0.368704  
1 1 1 50 46 11 o 0.724611 0.314168  0.55365      0.841738 1.18683      1.18281  -0.0960342   1.19813  0.862428 0.373148  0.684658 0.324681  
1 1 1 50 46 12 o 1.5677   0.290062  3.31101      0.875233 2.93445      1.20381  3.73327      1.27477  1.24816  0.413637  1.43511  0.41852   
1 1 1 50 46 13 o 0.832838 0.336816  1.03788      0.871    1.39661      1.25903  0.708619     1.20623  0.890369 0.385107  0.781884 0.35508   
1 1 1 50 46 14 o 1.50674  0.324932  3.37484      0.951263 3.65185      1.25924  3.00663      1.45179  1.36662  0.420119  1.1077   0.439839  
1 1 1 50 46 15 o 0.719141 0.317919  0.764849     0.900714 -1.16958     1.22332  3.05511      1.33109  0.555388 0.276577  1.08122  0.423618  
1 1 1 50 47 0  o 0.501301 0.349137  -0.46462     1.19747  -0.46462     1.19747  -0.46462     1.19747  0.417827 0.29173   ?        ?         
1 1 1 50 47 1  o 0.846011 0.340494  0.871745     0.884089 1.2988       1.253    0.448371     1.2476   0.954676 0.397147  0.810291 0.36509   
1 1 1 50 47 2  o 0.675413 0.304951  0.0703224    0.874934 0.747412     1.23475  -0.612493    1.23996  0.854346 0.375424  0.679284 0.324858  
1 1 1 50 47 3  o 1.11956  0.356596  1.81264      0.897836 2.39124      1.26919  1.23304      1.27028  1.19489  0.423218  0.938843 0.395707  
1 1 1 50 47 4  o 0.59364  0.280891  -0.492726    0.892274 1.66227      1.2912   -2.46243     1.23444  1.0149   0.410237  0.534421 0.267448  
1 1 1 50 47 5  o 1.58707  0.308704  3.31775      0.944903 2.97552      1.37113  3.62728      1.30398  1.28333  0.441292  1.49123  0.419614  
1 1 1 50 47 6  o 2.3571   0.210431  6.4081       0.992017 7.55084      1.45523  5.41607      1.35588  2.39657  0.303607  1.9297   0.364616  
1 1 1 50 47 7  o 0.703919 0.315668  0.329242     0.922263 0.322194     1.32026  0.335958     1.28886  0.762929 0.35537   0.760931 0.353156  
1 1 1 50 47 8  o 1.25846  0.357659  2.4622       0.942769 2.09761      1.3636   2.79606      1.30489  1.02502  0.418916  1.19595  0.428571  
1 1 1 50 47 9  o 0.853199 0.344963  1.11925      0.913325 1.68096      1.29325  0.560349     1.29002  0.941352 0.398138  0.771355 0.356195  
1 1 1 50 47 10 o 0.742679 0.325925  0.621959     0.92811  0.212065     1.25532  1.11615      1.37838  0.721004 0.338587  0.842174 0.381367  
1 1 1 50 47 11 o 0.839125 0.346518  1.06002      0.942988 1.16755      1.31968  0.947842     1.34794  0.856047 0.380902  0.825483 0.375008  
1 1 1 50 47 12 o 0.577727 0.277324  -0.442616    0.925135 -0.779572    1.29343  -0.0896597   1.32378  0.625535 0.306367  0.688817 0.330913  
1 1 1 50 47 13 f 1.13317  0.368885  2.40813      0.957411 2.65838      1.3027   2.11418      1.41185  1.02641  0.413226  0.9018   0.398432  
1 1 1 50 48 0  o 0.408922 0.29688   -1.47343     1.2055   -1.47343     1.2055   -1.47343     1.2055   0.322753 0.237019  ?        ?         
1 1 1 50 48 1  o 0.699112 0.312907  0.315664     0.902333 -0.559958    1.27046  1.20699      1.2818   0.663951 0.320234  0.886497 0.386071  
1 1 1 50 48 2  o 0.600429 0.282879  -0.308713    0.890682 -0.0991688   1.25613  -0.520597    1.26313  0.706241 0.333749  0.665192 0.320458  
1 1 1 50 48 3  o 0.89979  0.351927  1.24979      0.917873 2.51439      1.30574  0.0144952    1.29053  1.13895  0.425904  0.72166  0.340144  
1 1 1 50 48 4  o 1.36168  0.340295  2.72933      0.925113 1.32764      1.30389  4.15018      1.31277  0.895403 0.389657  1.56799  0.412888  
1 1 1 50 48 5  o 0.684128 0.311391  0.23075      0.93929  0.555595     1.36362  -0.0625395   1.2957   0.783511 0.363489  0.706778 0.336339  
1 1 1 50 48 6  f 0.725149 0.322415  0.497535     0.943925 -0.409818    1.38604  1.28234      1.28905  0.683081 0.330449  0.874252 0.383884  
1 1 1 50 48 7  o 0.525173 0.257577  -0.99414     0.92069  -1.72898     1.31002  -0.276909    1.29423  0.570327 0.284322  0.67529  0.325092  
1 1 1 50 48 8  o 1.4767   0.331921  3.18035      0.95638  1.91966      1.33275  4.51874      1.3732   0.976993 0.40821   1.5975   0.423034  
1 1 1 50 48 9  o 0.810805 0.342406  0.94721      0.954165 0.27586      1.26681  1.82746      1.45057  0.731462 0.342889  0.945686 0.411256  
1 1 1 50 48 10 o 0.726002 0.321738  0.584299     0.930118 0.355472     1.32284  0.808042     1.30806  0.732533 0.345007  0.78471  0.360911  
1 1 1 50 48 11 o 0.778879 0.334642  1.01194      0.938848 0.137049     1.31556  1.91997      1.34025  0.67807  0.326755  0.894877 0.392196  
1 1 1 50 49 0  o 0.488397 0.345224  -0.499051    1.26477  -0.499051    1.26477  -0.499051    1.26477  0.413277 0.291708  ?        ?         
1 1 1 50 49 1  o 0.834947 0.346165  1.06827      0.946944 2.7442       1.35937  -0.51166     1.31986  1.13311  0.431761  0.659411 0.319754  
1 1 1 50 49 2  o 0.685675 0.312026  0.292026     0.941971 -1.53478     1.30572  2.27459      1.36025  0.581333 0.288973  1.03155  0.419464  
1 1 1 50 49 3  o 0.713955 0.318996  0.463423     0.934181 1.24702      1.33775  -0.282419    1.30512  0.860423 0.383156  0.67778  0.326331  
1 1 1 50 49 4  o 0.559191 0.270089  -0.630663    0.911991 -1.53738     1.31092  0.219758     1.26957  0.584233 0.290295  0.72527  0.340575  
1 1 1 50 49 5  o 1.38087  0.355013  2.93982      0.985737 2.44367      1.42498  3.3951       1.36503  1.06197  0.430264  1.30001  0.440467  
1 1 1 50 49 6  o 0.839296 0.350313  1.08091      0.979937 2.16709      1.44108  0.146674     1.3365   1.00281  0.422013  0.725889 0.343611  
1 1 1 50 49 7  o 1.08325  0.376167  2.09063      0.998385 1.75325      1.40103  2.43872      1.42309  0.922769 0.402729  1.03719  0.426601  
1 1 1 50 49 8  o 0.719919 0.323692  0.587942     0.975581 0.808423     1.40332  0.381716     1.3572   0.772581 0.361936  0.725117 0.344669  
1 1 1 50 49 9  o 0.521041 0.257517  -1.00197     0.988093 -2.72534     1.40026  0.707271     1.39451  0.511604 0.260495  0.726811 0.34685   
1 1 1 50 50 0  o 0.738564 0.491655  1.40479      1.86952  1.40479      1.86952  1.40479      1.86952  0.755125 0.463822  ?        ?         
1 1 1 50 50 1  o 0.417076 0.30439   -1.59073     1.31667  -1.59073     1.31667  -1.59073     1.31667  0.332321 0.244383  ?        ?         
1 1 1 50 50 2  o 0.508464 0.358964  -0.405579    1.35601  -0.405579    1.35601  -0.405579    1.35601  0.435961 0.306109  ?        ?         
1 1 1 50 50 3  o 1.37962  0.557259  3.84599      1.4946   3.84599      1.4946   3.84599      1.4946   1.70358  0.351398  ?        ?         
1 1 1 50 50 4  o 0.578314 0.392424  0.378157     1.30473  0.378157     1.30473  0.378157     1.30473  0.536386 0.35285   ?        ?         
1 1 1 50 50 5  o 0.735411 0.463742  1.48203      1.41064  1.48203      1.41064  1.48203      1.41064  0.79366  0.43824   ?        ?         
1 1 1 50 50 6  o 0.384598 0.284098  -2.03045     1.33199  -2.03045     1.33199  -2.03045     1.33199  0.305443 0.226656  ?        ?         
1 1 1 50 50 7  o 0.499504 0.354481  -0.270686    1.36957  -0.270686    1.36957  -0.270686    1.36957  0.437977 0.307557  ?        ?         
1 1 1 51 0  0  o 2.80802  0.211749  8.03058      1.17364  8.03058      1.17364  8.03058      1.17364  2.82117  0.148013  ?        ?         
1 1 1 51 0  1  o 7.55324  0.114693  57.1169      1.7317   57.1169      1.7317   57.1169      1.7317   7.5554   0.0810556 ?        ?         
1 1 1 51 0  2  o 1.39473  0.293513  2.18895      0.720446 2.18895      0.720446 2.18895      0.720446 1.445    0.182857  ?        ?         
1 1 1 51 0  3  o 0.72631  0.387266  0.768651     0.755565 0.768651     0.755565 0.768651     0.755565 0.723285 0.335746  ?        ?         
1 1 1 51 0  4  o 13.7393  0.145631  188.981      4.00074  188.981      4.00074  188.981      4.00074  13.7431  0.102935  ?        ?         
1 1 1 51 0  5  o 5.93972  0.113262  35.3363      1.34439  35.3363      1.34439  35.3363      1.34439  5.94207  0.080024  ?        ?         
1 1 1 51 0  6  o 1.12372  0.405124  1.68065      0.83188  1.68065      0.83188  1.68065      0.83188  1.20941  0.279861  ?        ?         
1 1 1 51 0  7  o 1.35921  0.349737  2.18381      0.820285 2.18381      0.820285 2.18381      0.820285 1.42919  0.218187  ?        ?         
1 1 1 51 0  8  o 0.390845 0.276605  -0.855218    0.81861  -0.855218    0.81861  -0.855218    0.81861  0.299186 0.215902  ?        ?         
1 1 1 51 0  9  o 4.59496  0.112566  21.1657      1.03307  21.1657      1.03307  21.1657      1.03307  4.5978   0.0794924 ?        ?         
1 1 1 51 0  10 o 7.49304  0.118002  56.2305      1.7674   56.2305      1.7674   56.2305      1.7674   7.49587  0.0833851 ?        ?         
1 1 1 51 0  11 o 3.12637  0.135782  9.83987      0.845366 9.83987      0.845366 9.83987      0.845366 3.13164  0.0956413 ?        ?         
1 1 1 51 0  12 o 1.12442  0.373236  1.62975      0.744413 1.62975      0.744413 1.62975      0.744413 1.2063   0.246848  ?        ?         
1 1 1 51 0  13 o 2.17999  0.186055  4.86661      0.797603 4.86661      0.797603 4.86661      0.797603 2.19335  0.129604  ?        ?         
1 1 1 51 0  14 o 1.42769  0.302516  2.30273      0.75931  2.30273      0.75931  2.30273      0.75931  1.48084  0.188107  ?        ?         
1 1 1 51 0  15 o 2.32188  0.175362  5.49634      0.803657 5.49634      0.803657 5.49634      0.803657 2.33337  0.122542  ?        ?         
1 1 1 51 0  16 f 4.71083  0.113981  22.2575      1.07247  22.2575      1.07247  22.2575      1.07247  4.71431  0.0804834 ?        ?         
1 1 1 51 0  17 o 0.730288 0.388925  0.787091     0.761365 0.787091     0.761365 0.787091     0.761365 0.730345 0.33714   ?        ?         
1 1 1 51 0  18 o 9.13718  0.128724  83.6888      2.35129  83.6888      2.35129  83.6888      2.35129  9.1427   0.0909461 ?        ?         
1 1 1 51 0  19 o 0.408528 0.285334  -0.672594    0.811408 -0.672594    0.811408 -0.672594    0.811408 0.317306 0.226106  ?        ?         
1 1 1 51 0  20 o 0.626753 0.379959  0.415432     0.862583 0.415432     0.862583 0.415432     0.862583 0.569467 0.331287  ?        ?         
1 1 1 51 0  21 o 2.45627  0.194418  6.17999      0.941323 6.17999      0.941323 6.17999      0.941323 2.47142  0.135595  ?        ?         
1 1 1 51 0  22 f 1.65224  0.308916  3.03473      0.91477  3.03473      0.91477  3.03473      0.91477  1.70388  0.195682  ?        ?         
1 1 1 51 0  23 o 1.02979  0.460727  1.57948      1.00316  1.57948      1.00316  1.57948      1.00316  1.1039   0.363314  ?        ?         
1 1 1 51 0  24 o 1.79741  0.334118  3.60239      1.07742  3.60239      1.07742  3.60239      1.07742  1.855    0.211615  ?        ?         
1 1 1 51 0  25 o 1.1784   0.451354  1.94711      0.99974  1.94711      0.99974  1.94711      0.99974  1.28156  0.319099  ?        ?         
1 1 1 51 0  26 o 0.531584 0.361211  -0.424037    1.11063  -0.424037    1.11063  -0.424037    1.11063  0.430001 0.295644  ?        ?         
1 1 1 51 0  27 o 1.11636  0.4779    1.86032      1.08295  1.86032      1.08295  1.86032      1.08295  1.21349  0.362883  ?        ?         
1 1 1 51 0  28 o 2.62645  0.235569  7.18289      1.21453  7.18289      1.21453  7.18289      1.21453  2.65389  0.163215  ?        ?         
1 1 1 51 0  29 o 4.19156  0.162334  17.8201      1.35623  17.8201      1.35623  17.8201      1.35623  4.20657  0.114178  ?        ?         
1 1 1 51 0  30 o 0.55879  0.375151  -0.243392    1.14133  -0.243392    1.14133  -0.243392    1.14133  0.462442 0.31199   ?        ?         
1 1 1 51 0  31 o 1.16214  0.490085  2.0609       1.14241  2.0609       1.14241  2.0609       1.14241  1.27827  0.364986  ?        ?         
1 1 1 51 0  32 o 1.09002  0.493118  1.91641      1.14918  1.91641      1.14918  1.91641      1.14918  1.19948  0.385193  ?        ?         
1 1 1 51 0  33 o 1.89778  0.352813  4.18694      1.20121  4.18694      1.20121  4.18694      1.20121  1.98112  0.220605  ?        ?         
1 1 1 51 0  34 o 0.548793 0.372108  -0.233813    1.17004  -0.233813    1.17004  -0.233813    1.17004  0.4595   0.312056  ?        ?         
1 1 1 51 0  35 o 0.49798  0.346199  -0.569897    1.15437  -0.569897    1.15437  -0.569897    1.15437  0.405693 0.284159  ?        ?         
1 1 1 51 0  36 o 1.00116  0.502714  1.93641      1.22447  1.93641      1.22447  1.93641      1.22447  1.13132  0.415491  ?        ?         
1 1 1 51 0  37 o 0.58373  0.402862  -0.161191    1.48211  -0.161191    1.48211  -0.161191    1.48211  0.506446 0.346382  ?        ?         
1 1 1 51 0  38 o 0.69413  0.462298  0.951004     1.65769  0.951004     1.65769  0.951004     1.65769  0.680329 0.426522  ?        ?         
1 1 1 51 0  39 o 0.406239 0.302345  -3.62366     1.77888  -3.62366     1.77888  -3.62366     1.77888  0.31756  0.237609  ?        ?         
1 1 1 51 1  0  o 12.1897  0.134733  148.743      3.2838   148.743      3.2838   148.743      3.2838   12.1928  0.095233  ?        ?         
1 1 1 51 1  1  o 9.00177  0.075987  81.0668      1.36803  79.8784      1.85577  82.4812      2.02463  8.93383  0.103862  9.07765  0.111517  
1 1 1 51 1  2  o 12.5619  0.09526   157.909      2.39329  159.047      3.40003  156.792      3.36942  12.6026  0.134894  12.513   0.134637  
1 1 1 51 1  3  o 5.0546   0.0714967 25.5591      0.722774 25.853       1.04304  25.2875      1.00248  5.08249  0.102611  5.02671  0.0997156 
1 1 1 51 1  4  o 8.90636  0.0797445 79.3638      1.42046  79.2021      2.04334  79.515       1.97603  8.89479  0.114862  8.91267  0.110855  
1 1 1 51 1  5  o 5.46376  0.0731303 29.8662      0.799132 30.7107      1.24187  29.2693      1.044    5.53876  0.112107  5.40797  0.096524  
1 1 1 51 1  6  o 8.28707  0.0761936 68.7115      1.26284  68.0832      1.81151  69.3056      1.7614   8.24675  0.109832  8.32078  0.105844  
1 1 1 51 1  7  o 2.29733  0.120967  5.28529      0.555802 4.73811      0.836135 5.71848      0.74396  2.1728   0.19241   2.38851  0.155737  
1 1 1 51 1  8  o 3.71118  0.0825369 13.7827      0.612619 13.8636      0.932886 13.7214      0.812321 3.72034  0.125376  3.70192  0.109716  
1 1 1 51 1  9  o 4.33664  0.0758273 18.8183      0.657672 20.5535      1.01974  17.5825      0.860564 4.53046  0.112543  4.19074  0.102674  
1 1 1 51 1  10 o 2.52862  0.112755  6.40327      0.570227 5.42568      0.893273 7.07562      0.740804 2.32434  0.192156  2.65702  0.139405  
1 1 1 51 1  11 o 3.62111  0.0850621 13.1244      0.616039 13.8118      0.892931 12.4999      0.851002 3.71305  0.120242  3.5323   0.12046   
1 1 1 51 1  12 o 1.76105  0.15948   3.11214      0.561706 2.59265      0.837802 3.53634      0.757065 1.60266  0.261378  1.87527  0.201855  
1 1 1 51 1  13 o 1.81235  0.158106  3.29663      0.573085 3.06802      0.790897 3.54937      0.831559 1.74496  0.226623  1.87718  0.221491  
1 1 1 51 1  14 o 4.66681  0.0786051 21.8006      0.73367  21.6038      1.05689  21.9836      1.01927  4.64315  0.113812  4.6842   0.108798  
1 1 1 51 1  15 o 3.72847  0.0889334 13.9209      0.663171 13.6989      0.931585 14.1491      0.944273 3.69598  0.126027  3.75625  0.125694  
1 1 1 51 1  16 o 1.7676   0.158275  3.13967      0.559536 2.7794       0.776973 3.52781      0.806457 1.65832  0.234264  1.86981  0.215652  
1 1 1 51 1  17 o 1.01499  0.265697  1.08376      0.54565  0.875561     0.781712 1.28158      0.761997 0.967146 0.333142  1.10912  0.323617  
1 1 1 51 1  18 o 4.41044  0.0831399 19.4829      0.733367 18.526       1.00979  20.5509      1.06683  4.29739  0.117489  4.52611  0.117853  
1 1 1 51 1  19 o 2.18799  0.14123   4.81229      0.61802  5.12253      0.87564  4.50435      0.872394 2.25225  0.194392  2.11065  0.206665  
1 1 1 51 1  20 o 3.56653  0.102956  12.7593      0.734392 12.0391      1.06033  13.4234      1.01813  3.45802  0.153314  3.65356  0.139334  
1 1 1 51 1  21 o 2.37613  0.138524  5.68052      0.658302 6.56842      0.931443 4.79439      0.930517 2.5492   0.182693  2.1736   0.21405   
1 1 1 51 1  22 o 1.98988  0.173857  4.00287      0.691909 4.1293       0.97056  3.87221      0.986652 2.01092  0.241323  1.94521  0.253611  
1 1 1 51 1  23 o 1.30464  0.28192   1.81659      0.71474  2.55288      0.979743 0.978956     1.045    1.5398   0.327904  1.04788  0.382726  
1 1 1 51 1  24 o 2.28515  0.164113  5.27832      0.750045 5.46413      1.06012  5.09208      1.06132  2.31309  0.229157  2.23116  0.237841  
1 1 1 51 1  25 o 0.957466 0.314514  0.935224     0.695982 0.635666     0.98025  1.23974      0.988335 0.932454 0.363896  1.10314  0.374795  
1 1 1 51 1  26 o 2.95425  0.145152  8.82855      0.857632 9.24284      1.24079  8.44956      1.18676  3.00511  0.206447  2.87324  0.20652   
1 1 1 51 1  27 o 0.92864  0.327156  0.835571     0.757499 0.188688     1.04973  1.53841      1.09419  0.846781 0.358447  1.19527  0.394355  
1 1 1 51 1  28 o 2.88271  0.15155   8.43864      0.873752 8.78341      1.26183  8.12105      1.21108  2.91804  0.216212  2.80602  0.2158    
1 1 1 51 1  29 o 1.67797  0.240039  2.93807      0.805556 2.6997       1.13819  3.17731      1.14027  1.53607  0.37356   1.68052  0.350724  
1 1 1 51 1  30 o 1.65882  0.251127  2.89834      0.83315  3.35137      1.17412  2.43887      1.18243  1.7177   0.353874  1.44236  0.397402  
1 1 1 51 1  31 o 1.32974  0.311705  2.00258      0.815418 2.80883      1.16861  1.23756      1.13833  1.54281  0.380589  1.08477  0.399134  
1 1 1 51 1  32 o 1.65012  0.251295  2.92955      0.829336 3.26393      1.18624  2.60983      1.15992  1.65319  0.368324  1.46035  0.389748  
1 1 1 51 1  33 o 0.939809 0.338461  0.956118     0.814745 0.208805     1.15566  1.69461      1.14882  0.83922  0.366021  1.17378  0.403906  
1 1 1 51 1  34 o 1.72035  0.254673  3.28351      0.876256 2.62033      1.24198  3.9408       1.23646  1.39431  0.414969  1.78227  0.359482  
1 1 1 51 1  35 o 1.59185  0.263504  2.876        0.838919 2.87306      1.18709  2.87893      1.18573  1.45575  0.396906  1.45793  0.396313  
1 1 1 51 1  36 o 0.963074 0.356792  1.24274      0.912119 0.354929     1.29001  2.13034      1.28986  0.820792 0.370455  1.16139  0.425108  
1 1 1 51 1  37 o 1.57298  0.341178  3.36971      1.04316  3.46956      1.46711  3.26762      1.48355  1.40464  0.456638  1.34763  0.459189  
1 1 1 51 1  38 o 0.78542  0.35866   0.715616     1.2663   -0.318605    1.77684  1.78303      1.80512  0.736118 0.360189  0.915067 0.422098  
1 1 1 51 1  39 f 0.689983 0.330543  0.234172     1.29777  -1.5044      2.07936  1.3435       1.66098  0.659088 0.332563  0.803302 0.381578  
1 1 1 51 2  0  o 6.57151  0.0992047 43.2314      1.30318  43.2314      1.30318  43.2314      1.30318  6.57328  0.0701114 ?        ?         
1 1 1 51 2  1  o 5.05826  0.0691216 25.596       0.69927  25.9784      0.979374 25.1982      0.998745 5.09498  0.0961117 5.01774  0.0995213 
1 1 1 51 2  2  o 7.79899  0.0719576 60.8503      1.12239  60.0345      1.58037  61.6805      1.59433  7.74484  0.102027  7.85033  0.101546  
1 1 1 51 2  3  o 6.58339  0.0711697 43.3597      0.937075 43.8724      1.36188  42.8986      1.29137  6.62063  0.102851  6.54698  0.0986236 
1 1 1 51 2  4  o 9.79331  0.0807728 95.9644      1.58207  97.0261      2.3873   95.1329      2.11257  9.84375  0.12126   9.74853  0.108353  
1 1 1 51 2  5  o 3.59278  0.0831541 12.9164      0.597508 13.581       0.939849 12.4655      0.774079 3.68244  0.127612  3.52867  0.109684  
1 1 1 51 2  6  o 6.16379  0.0677576 38.0098      0.835287 38.5398      1.18983  37.4947      1.1729   6.2052   0.0958738 6.12049  0.0958173 
1 1 1 51 2  7  o 2.87446  0.091054  8.26973      0.523462 8.42189      0.738771 8.11632      0.741812 2.89959  0.127392  2.84639  0.130307  
1 1 1 51 2  8  o 3.55259  0.0813517 12.63        0.578019 12.4503      0.815395 12.8116      0.819506 3.52593  0.115628  3.57676  0.11456   
1 1 1 51 2  9  o 13.1146  0.10224   172.198      2.68168  172.061      3.62671  172.363      3.98325  13.1028  0.138395  13.1114  0.151901  
1 1 1 51 2  10 o 5.0888   0.0712821 25.9121      0.72548  25.7729      1.03785  26.045       1.01451  5.07342  0.102283  5.10032  0.0994559 
1 1 1 51 2  11 o 2.93099  0.102401  8.60285      0.600273 7.70309      0.885344 9.36838      0.816641 2.77069  0.15977   3.05711  0.133564  
1 1 1 51 2  12 o 2.5686   0.115722  6.61038      0.594489 6.04033      0.888882 7.07173      0.799649 2.45191  0.181264  2.65493  0.150597  
1 1 1 51 2  13 o 4.56975  0.0839499 20.9052      0.767259 20.3929      1.08665  21.4145      1.08349  4.51077  0.120451  4.62265  0.117194  
1 1 1 51 2  14 o 2.92454  0.101239  8.56778      0.592155 8.25556      0.811795 8.92281      0.865665 2.86835  0.141509  2.98174  0.145161  
1 1 1 51 2  15 o 1.98336  0.144475  3.94901      0.57309  4.09463      0.818425 3.80891      0.802745 2.01578  0.203004  1.94393  0.206475  
1 1 1 51 2  16 o 4.02573  0.086624  16.231       0.697449 16.2901      0.966668 16.1669      1.00727  4.03027  0.119926  4.01446  0.125455  
1 1 1 51 2  17 o 5.40111  0.080211  29.2127      0.866456 28.1994      1.24788  30.1559      1.20401  5.30241  0.117671  5.48432  0.109768  
1 1 1 51 2  18 o 6.53976  0.0786768 42.8327      1.02905  44.0501      1.4678   41.656       1.44312  6.62717  0.110741  6.44435  0.111968  
1 1 1 51 2  19 o 3.63354  0.097718  13.2376      0.710125 12.2929      0.975973 14.3003      1.03518  3.49679  0.139553  3.77183  0.137225  
1 1 1 51 2  20 o 1.71537  0.178627  2.97083      0.612824 1.84387      0.873082 4.06526      0.860385 1.31117  0.332353  2.00238  0.21484   
1 1 1 51 2  21 o 2.67083  0.123521  7.16975      0.659805 6.38707      0.92942  7.96496      0.936833 2.51276  0.18494   2.80904  0.166754  
1 1 1 51 2  22 o 1.19996  0.296471  1.54275      0.708288 1.87787      0.975547 1.16918      1.03001  1.31768  0.36005   1.09869  0.382025  
1 1 1 51 2  23 o 3.74277  0.109489  14.0735      0.819585 14.1463      1.12955  13.9924      1.19103  3.74465  0.150821  3.72218  0.159991  
1 1 1 51 2  24 o 3.333    0.119148  11.1752      0.79424  10.634       1.09913  11.7666      1.14898  3.24129  0.169552  3.40979  0.168482  
1 1 1 51 2  25 o 0.931503 0.324565  0.838656     0.743793 -0.0443756   1.09761  1.58846      1.01143  0.824545 0.358144  1.21263  0.377278  
1 1 1 51 2  26 o 4.54734  0.110843  20.8236      1.00808  20.6562      1.44468  20.9825      1.40733  4.51182  0.1601    4.54952  0.154668  
1 1 1 51 2  27 o 1.10096  0.333463  1.31596      0.797295 0.839172     1.04189  1.98969      1.23852  0.991692 0.37796   1.33125  0.418153  
1 1 1 51 2  28 o 1.88102  0.213078  3.65234      0.801609 2.85806      1.13753  4.43587      1.12981  1.58968  0.365245  2.05173  0.27533   
1 1 1 51 2  29 o 0.668846 0.298671  -0.235396    0.817896 0.151942     1.18095  -0.59245     1.13384  0.87225  0.375058  0.73809  0.338019  
1 1 1 51 2  30 o 2.38504  0.178816  5.84786      0.852967 3.95551      1.17236  7.97619      1.24332  1.91178  0.306615  2.76371  0.224936  
1 1 1 51 2  31 o 1.2623   0.329442  1.83745      0.840484 0.970739     1.16951  2.76323      1.20871  1.01798  0.397434  1.51551  0.39486   
1 1 1 51 2  32 o 0.691569 0.303738  -0.0203762   0.807372 -0.877466    1.13431  0.859721     1.14943  0.68194  0.320682  0.975238 0.390007  
1 1 1 51 2  33 o 1.92858  0.219314  3.97651      0.845932 3.21309      1.19803  4.7356       1.19463  1.61036  0.378041  2.05518  0.290639  
1 1 1 51 2  34 o 1.74948  0.250398  3.40626      0.87613  2.4316       1.23456  4.39517      1.24356  1.32879  0.417505  1.89338  0.340818  
1 1 1 51 2  35 o 0.898062 0.339722  0.930684     0.836546 0.70293      1.18312  1.15838      1.18298  0.890337 0.37886   0.982456 0.394506  
1 1 1 51 2  36 o 1.06787  0.372113  1.65336      0.977698 0.979101     1.37363  2.34568      1.3919   0.916667 0.399431  1.1821   0.440188  
1 1 1 51 2  37 o 1.3022   0.378494  2.62449      1.0443   3.91447      1.48868  1.37467      1.46532  1.46175  0.458302  0.936173 0.410193  
1 1 1 51 2  38 o 0.917848 0.390447  1.56427      1.25592  1.67257      1.78034  1.45698      1.77197  0.904608 0.418003  0.882194 0.411223  
1 1 1 51 2  39 o 0.673583 0.324469  0.212955     1.29416  -0.645924    2.03474  0.796444     1.6771   0.673415 0.338847  0.73707  0.358358  
1 1 1 51 3  0  o 2.37189  0.159779  5.70838      0.750063 5.70838      0.750063 5.70838      0.750063 2.3807   0.111955  ?        ?         
1 1 1 51 3  1  f 6.16652  0.0686204 38.0421      0.846298 37.8317      1.20903  38.2441      1.18503  6.14808  0.0983256 6.18163  0.0958506 
1 1 1 51 3  2  o 7.56808  0.0746648 57.3051      1.13014  60.3125      1.70147  54.9308      1.51181  7.76185  0.109605  7.408    0.102039  
1 1 1 51 3  3  o 8.58145  0.0740476 73.6794      1.27087  73.951       1.83023  73.4264      1.76606  8.59489  0.106472  8.56463  0.103102  
1 1 1 51 3  4  o 4.57079  0.0724499 20.903       0.662307 21.4682      0.986218 20.4386      0.893864 4.63081  0.106485  4.51874  0.0989062 
1 1 1 51 3  5  o 5.52755  0.0684651 30.5686      0.756887 31.2179      1.11377  30.0114      1.03173  5.58445  0.0997208 5.47578  0.0942086 
1 1 1 51 3  6  o 4.42264  0.0730037 19.5709      0.645739 19.9801      0.95459  19.2256      0.876787 4.46721  0.106844  4.38238  0.100035  
1 1 1 51 3  7  o 5.57391  0.0689774 31.0847      0.768948 32.6308      1.13808  29.7861      1.04304  5.70922  0.0996703 5.45493  0.0956052 
1 1 1 51 3  8  o 6.80747  0.0724596 46.3695      0.986534 45.8039      1.37539  46.9688      1.41583  6.76384  0.101672  6.84918  0.103358  
1 1 1 51 3  9  o 1.4752   0.170454  2.18396      0.502907 3.18928      0.721984 1.23644      0.700921 1.78137  0.202648  1.09091  0.307862  
1 1 1 51 3  10 o 5.99171  0.0724138 35.9255      0.867765 34.8033      1.18673  37.215       1.27213  5.89548  0.100647  6.09602  0.104341  
1 1 1 51 3  11 o 3.72173  0.087211  13.8662      0.649152 14.808       0.928586 12.966       0.907844 3.84413  0.12078   3.59677  0.126203  
1 1 1 51 3  12 o 3.32424  0.0963001 11.0659      0.640248 10.7705      0.907998 11.358       0.902919 3.27708  0.138538  3.36558  0.13414   
1 1 1 51 3  13 o 2.06696  0.137438  4.28551      0.568158 4.09211      0.846503 4.44405      0.766443 2.01557  0.209991  2.10233  0.182284  
1 1 1 51 3  14 o 1.44078  0.19175   2.08957      0.552541 2.46196      0.819282 1.77887      0.748349 1.5355   0.276898  1.29835  0.294847  
1 1 1 51 3  15 o 3.5769   0.0906354 12.8149      0.648388 12.5848      0.915083 13.0469      0.918847 3.54171  0.129187  3.60632  0.127394  
1 1 1 51 3  16 o 6.87159  0.0794278 47.281       1.09159  48.5182      1.52403  45.9776      1.56424  6.95685  0.109534  6.77132  0.115505  
1 1 1 51 3  17 o 4.58207  0.0829803 21.0285      0.760444 21.0568      1.09587  21.0022      1.05609  4.58129  0.119603  4.57587  0.115398  
1 1 1 51 3  18 o 2.25506  0.138225  5.11044      0.623412 4.70918      0.892484 5.49278      0.871178 2.15822  0.206764  2.33323  0.18669   
1 1 1 51 3  19 o 2.55305  0.12525   6.54746      0.639538 7.04382      0.910467 6.06401      0.898538 2.64285  0.172251  2.45079  0.183316  
1 1 1 51 3  20 f 1.68142  0.184658  2.85743      0.620978 2.16082      0.886815 3.52761      0.869823 1.42036  0.319874  1.86221  0.233546  
1 1 1 51 3  21 f 1.86695  0.173891  3.52279      0.649294 4.20037      0.924094 2.86211      0.912495 2.03085  0.227514  1.66973  0.273247  
1 1 1 51 3  22 o 4.70074  0.100135  22.1763      0.941418 22.2891      1.31514  22.0577      1.3482   4.70452  0.139775  4.67902  0.144069  
1 1 1 51 3  23 f 2.8655   0.129048  8.26547      0.739574 7.59783      1.00321  9.06028      1.09458  2.73814  0.183192  2.9901   0.183035  
1 1 1 51 3  24 o 2.16934  0.167211  4.76737      0.725472 4.36025      1.01077  5.19994      1.04188  2.05946  0.245397  2.25247  0.231276  
1 1 1 51 3  25 o 0.664964 0.290492  -0.0967689   0.730387 0.198001     1.06549  -0.358063    1.00317  0.858702 0.362192  0.733277 0.329018  
1 1 1 51 3  26 o 3.88495  0.115093  15.2096      0.894264 16.6004      1.23246  13.6632      1.29957  4.04699  0.152268  3.6628   0.177402  
1 1 1 51 3  27 f 3.06364  0.144014  9.51071      0.882415 9.47878      1.26175  9.54128      1.23454  3.03671  0.207749  3.04879  0.202465  
1 1 1 51 3  28 o 1.61109  0.248551  2.71506      0.800876 2.68201      1.11347  2.75048      1.15277  1.53502  0.367102  1.55123  0.375135  
1 1 1 51 3  29 o 1.78649  0.233617  3.32572      0.834708 4.71918      1.22131  2.10431      1.14344  2.10512  0.290082  1.35091  0.39715   
1 1 1 51 3  30 o 1.99301  0.213456  4.13195      0.850841 5.18313      1.18962  3.03112      1.2174   2.20677  0.269539  1.61168  0.382847  
1 1 1 51 3  31 o 1.37556  0.313835  2.16657      0.844644 2.31162      1.1735   2.01065      1.21669  1.37645  0.401596  1.28515  0.415698  
1 1 1 51 3  32 o 2.0909   0.205684  4.60454      0.860128 3.33988      1.20061  5.93803      1.23284  1.66544  0.370161  2.33632  0.263842  
1 1 1 51 3  33 o 1.85154  0.228877  3.70116      0.847547 4.70096      1.19873  2.70175      1.19849  2.03867  0.293999  1.44723  0.400685  
1 1 1 51 3  34 o 1.65643  0.260977  3.08987      0.864583 4.59918      1.23695  1.64812      1.20894  1.97308  0.313456  1.11655  0.411279  
1 1 1 51 3  35 o 0.922157 0.341334  1.0444       0.834429 0.540345     1.17332  1.56022      1.18692  0.848579 0.369462  1.06014  0.403595  
1 1 1 51 3  36 o 0.564095 0.274642  -1.11662     0.992073 -0.597204    1.36038  -1.70666     1.44991  0.713447 0.340974  0.643909 0.317138  
1 1 1 51 3  37 o 0.710746 0.325069  0.230606     1.04478  0.0268164    1.45246  0.449104     1.50397  0.749192 0.356325  0.797511 0.373808  
1 1 1 51 3  38 o 0.897079 0.387372  1.42287      1.26991  0.814517     1.8008   2.02468      1.7911   0.827987 0.3949    0.949445 0.431577  
1 1 1 51 4  0  o 1.55915  0.254561  2.62451      0.729943 2.62451      0.729943 2.62451      0.729943 1.59355  0.166078  ?        ?         
1 1 1 51 4  1  o 10.1459  0.0829014 103.009      1.68221  101.762      2.33717  104.351      2.42317  10.0809  0.11592   10.2081  0.118689  
1 1 1 51 4  2  o 4.50197  0.0734524 20.2789      0.661361 20.873       0.952623 19.7262      0.918899 4.56617  0.104313  4.43901  0.103503  
1 1 1 51 4  3  o 5.99857  0.0686651 36.0004      0.823784 36.3022      1.2353   35.7587      1.1055   6.02187  0.102568  5.97723  0.0924756 
1 1 1 51 4  4  o 4.47815  0.0714026 20.0647      0.639504 20.2111      0.941794 19.9394      0.871124 4.49308  0.104805  4.46312  0.0975913 
1 1 1 51 4  5  o 7.1015   0.0700031 50.4581      0.994254 51.2428      1.41314  49.6888      1.39914  7.15465  0.0987571 7.04528  0.099296  
1 1 1 51 4  6  o 3.69552  0.0779125 13.6661      0.575855 14.122       0.843202 13.2677      0.788329 3.75528  0.112269  3.6401   0.108284  
1 1 1 51 4  7  o 6.5431   0.0708546 42.8371      0.927218 42.5327      1.26692  43.1882      1.36066  6.51813  0.0971844 6.56768  0.103588  
1 1 1 51 4  8  o 2.56278  0.0983535 6.57564      0.504117 6.37373      0.711153 6.77958      0.714718 2.52154  0.141016  2.60074  0.137407  
1 1 1 51 4  9  o 1.95904  0.123508  3.84555      0.483914 4.30498      0.69272  3.40767      0.67629  2.07103  0.167241  1.8419   0.183585  
1 1 1 51 4  10 f 1.73741  0.141783  3.02711      0.492672 3.67599      0.705915 2.41089      0.687919 1.91271  0.184532  1.54734  0.222291  
1 1 1 51 4  11 o 4.6859   0.0752695 21.9761      0.705411 22.404       0.988758 21.5325      1.00669  4.72943  0.104532  4.63623  0.108567  
1 1 1 51 4  12 o 2.71388  0.104268  7.37792      0.565943 6.66494      0.780356 8.169        0.821995 2.5769   0.151414  2.85338  0.144039  
1 1 1 51 4  13 o 3.41653  0.0887959 11.6888      0.606748 11.7307      0.834078 11.6416      0.884263 3.42055  0.121922  3.40694  0.129774  
1 1 1 51 4  14 o 3.64577  0.0936533 13.3138      0.682877 13.4857      0.996844 13.1617      0.937366 3.66587  0.135963  3.62216  0.129393  
1 1 1 51 4  15 f 2.47798  0.117631  6.15767      0.582971 6.34884      0.808966 5.95114      0.84085  2.5131   0.16095   2.43214  0.172862  
1 1 1 51 4  16 o 4.48684  0.0817659 20.1612      0.733741 20.2612      1.02079  20.0542      1.05541  4.49496  0.113548  4.47144  0.118017  
1 1 1 51 4  17 o 3.41076  0.0955351 11.659       0.651694 12.5212      0.894284 10.6827      0.951657 3.53167  0.126609  3.26003  0.145958  
1 1 1 51 4  18 o 4.04282  0.0931613 16.3836      0.753269 15.4015      1.03548  17.4875      1.09782  3.91512  0.132241  4.17194  0.131572  
1 1 1 51 4  19 o 1.43392  0.212044  2.08377      0.608106 2.23635      0.869613 1.93776      0.850683 1.44842  0.309278  1.34549  0.320298  
1 1 1 51 4  20 o 1.282    0.251759  1.73239      0.622503 2.94742      0.905923 0.645469     0.85683  1.6968   0.26695   0.909125 0.343843  
1 1 1 51 4  21 f 3.52021  0.114402  12.4503      0.805441 12.5568      1.1302   12.3403      1.14814  3.52719  0.160213  3.49583  0.164216  
1 1 1 51 4  22 o 3.82154  0.10658   14.6667      0.814596 14.1249      1.13796  15.2361      1.1666   3.74197  0.152053  3.8868   0.150072  
1 1 1 51 4  23 o 2.61401  0.141858  6.88841      0.74164  6.70783      1.02251  7.08888      1.07731  2.56934  0.198982  2.64023  0.204019  
1 1 1 51 4  24 o 2.02217  0.180495  4.15569      0.729983 4.79399      1.0595   3.57886      1.00719  2.15747  0.245541  1.85822  0.271009  
1 1 1 51 4  25 o 1.73429  0.219351  3.08741      0.760837 2.5956       1.0683   3.59363      1.08384  1.53083  0.355446  1.8524   0.29255   
1 1 1 51 4  26 o 1.14033  0.320192  1.4225       0.760054 1.29702      1.0523   1.55936      1.09898  1.12045  0.386468  1.20199  0.395217  
1 1 1 51 4  27 o 3.93383  0.126129  15.6395      0.99234  15.2857      1.43963  15.9598      1.36974  3.86509  0.186235  3.95548  0.173144  
1 1 1 51 4  28 o 3.29988  0.134698  11.038       0.888975 10.7349      1.19287  11.4165      1.3332   3.23532  0.184351  3.32899  0.200241  
1 1 1 51 4  29 o 0.76602  0.320147  0.230688     0.820094 0.210127     1.18901  0.249344     1.13262  0.881747 0.377641  0.872283 0.370916  
1 1 1 51 4  30 o 3.47519  0.132555  12.2762      0.921309 12.1805      1.29789  12.3733      1.30803  3.43302  0.18903   3.46008  0.189017  
1 1 1 51 4  31 o 1.08901  0.341171  1.37155      0.825189 2.03314      1.16251  0.699643     1.17153  1.28851  0.405196  0.949399 0.388199  
1 1 1 51 4  32 o 1.96396  0.213833  4.08853      0.839916 1.73373      1.17641  6.53692      1.19957  1.18862  0.408755  2.46231  0.243586  
1 1 1 51 4  33 o 2.96749  0.153313  9.13697      0.909906 8.55343      1.26907  9.7543       1.3053   2.81158  0.225685  3.01136  0.21673   
1 1 1 51 4  34 o 0.540578 0.260069  -0.927798    0.824925 -0.715253    1.1613   -1.14428     1.17202  0.684592 0.32267   0.64275  0.309411  
1 1 1 51 4  35 o 1.30369  0.333045  2.22052      0.871629 2.59893      1.27574  1.88922      1.19369  1.30245  0.425816  1.12902  0.409373  
1 1 1 51 4  36 o 0.566133 0.275855  -1.1325      1.00822  -1.68114     1.40282  -0.546307    1.45003  0.632182 0.311353  0.733542 0.350925  
1 1 1 51 4  37 o 0.953353 0.381707  1.57574      1.1029   0.156746     1.44191  3.5764       1.71213  0.751057 0.356176  1.2172   0.479434  
1 1 1 51 4  38 o 0.828891 0.374081  1.09937      1.31513  0.246462     2.0364   1.7096       1.7225   0.780963 0.383045  0.894426 0.412481  
1 1 1 51 5  0  o 0.989374 0.381194  1.3419       0.711451 1.3419       0.711451 1.3419       0.711451 1.06653  0.273296  ?        ?         
1 1 1 51 5  1  o 1.22057  0.224415  1.54516      0.527333 1.2376       0.761942 1.82791      0.730571 1.09835  0.32461   1.32094  0.284662  
1 1 1 51 5  2  o 6.2886   0.0693185 39.567       0.871833 40.2157      1.27091  38.9903      1.19822  6.33817  0.100258  6.24114  0.0959934 
1 1 1 51 5  3  f 3.18793  0.0838332 10.1707      0.534509 10.3824      0.759544 9.96304      0.752329 3.21973  0.117951  3.15399  0.119266  
1 1 1 51 5  4  o 10.0849  0.0816794 101.78       1.64745  102.903      2.38139  100.749      2.28151  10.1363  0.117468  10.0302  0.113732  
1 1 1 51 5  5  o 7.61861  0.0710808 58.0765      1.08307  56.596       1.57277  59.4118      1.49368  7.51835  0.104595  7.70378  0.0969449 
1 1 1 51 5  6  o 6.28345  0.0711356 39.5053      0.893953 39.8115      1.28425  39.2175      1.24514  6.30576  0.101831  6.25871  0.0994727 
1 1 1 51 5  7  o 3.24611  0.0836504 10.5464      0.543078 10.5193      0.789935 10.5708      0.747848 3.24034  0.121891  3.24859  0.115103  
1 1 1 51 5  8  o 2.36548  0.104457  5.6036       0.494184 6.26962      0.716063 4.99788      0.682881 2.50052  0.143183  2.23213  0.152966  
1 1 1 51 5  9  o 3.50607  0.0787652 12.3032      0.552312 12.7909      0.783663 11.8217      0.778536 3.57343  0.109651  3.43518  0.113318  
1 1 1 51 5  10 o 1.42388  0.171554  2.0362       0.488545 1.74983      0.692266 2.32034      0.689556 1.29101  0.276149  1.51747  0.227206  
1 1 1 51 5  11 f 7.09446  0.073614  50.3742      1.0445   49.3149      1.46471  51.4702      1.48991  7.0164   0.104378  7.16814  0.103926  
1 1 1 51 5  12 o 4.327    0.0763739 18.7416      0.66094  18.7363      0.931298 18.7469      0.938159 4.32423  0.107684  4.32541  0.108448  
1 1 1 51 5  13 o 3.47171  0.0897924 12.0708      0.623467 12.5788      0.889575 11.5802      0.874061 3.54149  0.125593  3.39777  0.128623  
1 1 1 51 5  14 o 5.71402  0.0810465 32.6928      0.926203 31.3188      1.22145  34.5518      1.42072  5.58969  0.109259  5.86953  0.121025  
1 1 1 51 5  15 o 2.25997  0.130583  5.12585      0.59023  5.73461      0.862936 4.59069      0.809087 2.38655  0.180791  2.13458  0.189519  
1 1 1 51 5  16 o 1.52866  0.184669  2.35525      0.564593 2.40694      0.77417  2.29653      0.825178 1.54024  0.251315  1.47703  0.289663  
1 1 1 51 5  17 o 4.70945  0.0855256 22.2211      0.805557 23.3124      1.11875  21.0461      1.16087  4.81991  0.116056  4.57809  0.126786  
1 1 1 51 5  18 o 5.08474  0.0865548 25.9102      0.880218 26.3341      1.26878  25.5169      1.22216  5.12049  0.123892  5.04087  0.121225  
1 1 1 51 5  19 o 0.922126 0.292448  0.863195     0.604346 -0.0974396   0.86664  1.77255      0.843192 0.732387 0.318178  1.28546  0.32708   
1 1 1 51 5  20 o 2.16386  0.155944  4.72197      0.674881 4.81084      0.956502 4.63386      0.952362 2.17498  0.219888  2.13406  0.223133  
1 1 1 51 5  21 f 2.73418  0.134697  7.52423      0.736573 6.32781      1.01997  8.82818      1.06482  2.49677  0.204258  2.95394  0.180237  
1 1 1 51 5  22 o 3.19729  0.117335  10.2783      0.750307 10.6171      1.03544  9.90366      1.08876  3.24208  0.159687  3.12833  0.174016  
1 1 1 51 5  23 o 3.96463  0.107841  15.7982      0.855097 15.528       1.22157  16.0577      1.19737  3.91972  0.155823  3.98753  0.15014   
1 1 1 51 5  24 o 2.16372  0.167333  4.74816      0.724125 5.25502      1.03871  4.26892      1.01002  2.26236  0.229563  2.03461  0.248211  
1 1 1 51 5  25 o 3.47502  0.118906  12.1737      0.826402 12.2274      1.13824  12.1139      1.20177  3.47     0.164011  3.4505   0.174144  
1 1 1 51 5  26 o 2.18811  0.186023  4.8904       0.81408  5.53926      1.09305  4.08214      1.21994  2.31355  0.236228  1.96202  0.310888  
1 1 1 51 5  27 o 2.60211  0.162937  6.89808      0.847961 6.21915      1.21088  7.55143      1.18785  2.44139  0.247989  2.7023   0.219785  
1 1 1 51 5  28 o 1.06808  0.342215  1.24144      0.825986 1.11569      1.14285  1.37895      1.19514  1.07204  0.398936  1.14714  0.410245  
1 1 1 51 5  29 o 0.933573 0.334185  0.869041     0.793226 0.851624     1.11806  0.886692     1.12556  0.993438 0.388443  1.00325  0.390262  
1 1 1 51 5  30 o 1.46316  0.301319  2.40586      0.85158  1.40838      1.19367  3.43974      1.21525  1.13154  0.409461  1.71777  0.364747  
1 1 1 51 5  31 o 1.93608  0.216327  3.96232      0.837651 2.81069      1.18353  5.11819      1.18571  1.51564  0.388616  2.166    0.273708  
1 1 1 51 5  32 o 0.443515 0.221506  -2.0025      0.812902 -1.01037     1.14832  -2.99911     1.15092  0.666238 0.316851  0.509314 0.256266  
1 1 1 51 5  33 o 0.866033 0.332501  0.772368     0.811202 0.710074     1.11802  0.841623     1.17882  0.904082 0.375563  0.940931 0.387849  
1 1 1 51 5  34 o 1.21832  0.332561  1.86947      0.832793 2.38381      1.1722   1.34529      1.18337  1.31212  0.405742  1.03344  0.400538  
1 1 1 51 5  35 o 0.721049 0.31589   0.262264     0.868769 0.802216     1.2616   -0.224709    1.19811  0.886905 0.384579  0.72597  0.338301  
1 1 1 51 5  36 o 1.96832  0.270275  4.69836      1.06397  3.8834       1.45377  5.63843      1.56136  1.52282  0.447851  1.93036  0.41629   
1 1 1 51 5  37 o 1.19006  0.397797  2.55725      1.11337  3.21697      1.45138  1.61391      1.73554  1.21564  0.450128  0.903902 0.415728  
1 1 1 51 5  38 o 0.819436 0.370001  1.23405      1.28822  0.35501      1.8632   2.03911      1.78307  0.74846  0.366876  0.883463 0.412084  
1 1 1 51 6  0  o 2.11825  0.1794    4.59062      0.747485 4.59062      0.747485 4.59062      0.747485 2.13073  0.125016  ?        ?         
1 1 1 51 6  1  o 1.98592  0.137192  3.95219      0.544904 3.64445      0.791171 4.2299       0.751573 1.90444  0.207718  2.05281  0.18306   
1 1 1 51 6  2  o 5.44706  0.0714607 29.6876      0.778502 30.5797      1.137    28.9003      1.06815  5.52657  0.102867  5.37289  0.099402  
1 1 1 51 6  3  o 2.34572  0.111113  5.51018      0.521282 5.40752      0.726881 5.61889      0.747981 2.32214  0.156511  2.36702  0.158     
1 1 1 51 6  4  o 15.6544  0.113147  245.428      3.5425   244.27       4.94557  246.649      5.0767   15.606   0.158451  15.6808  0.161876  
1 1 1 51 6  5  o 4.79461  0.0685038 23.0015      0.656898 22.1114      0.935792 23.8661      0.922343 4.69943  0.0995645 4.88263  0.0944515 
1 1 1 51 6  6  o 6.34213  0.0717216 40.249       0.909735 41.2904      1.3359   39.3484      1.24231  6.42132  0.104021  6.2689   0.0990854 
1 1 1 51 6  7  o 6.61644  0.0709025 43.807       0.938244 44.6882      1.42447  43.1318      1.24694  6.6798   0.106625  6.56348  0.0949906 
1 1 1 51 6  8  o 9.14929  0.0776127 83.7805      1.4202   81.4202      2.03324  86.0292      1.98459  9.01522  0.112767  9.26769  0.10707   
1 1 1 51 6  9  o 8.21767  0.074745  67.5856      1.22846  66.9774      1.7373   68.1939      1.73731  8.17713  0.106229  8.25118  0.105276  
1 1 1 51 6  10 o 4.36971  0.0734722 19.1104      0.642105 19.3593      0.912398 18.8663      0.903811 4.39619  0.103771  4.33983  0.10413   
1 1 1 51 6  11 o 5.58905  0.0726968 31.2653      0.812612 30.4808      1.16537  32.0076      1.1337   5.51573  0.105641  5.65272  0.100279  
1 1 1 51 6  12 o 0.71662  0.264449  0.410239     0.500093 -0.497016    0.71025  1.30227      0.704265 0.58503  0.267758  1.11415  0.306577  
1 1 1 51 6  13 o 5.97727  0.0752355 35.7674      0.899406 35.4609      1.27567  36.0703      1.26827  5.94821  0.107231  5.9993   0.105701  
1 1 1 51 6  14 o 2.29756  0.123568  5.29545      0.567811 5.31466      0.825307 5.2782       0.782419 2.29774  0.179591  2.29057  0.170791  
1 1 1 51 6  15 o 1.11544  0.254731  1.31153      0.556028 1.3366       0.819001 1.29009      0.757303 1.13356  0.336898  1.11101  0.32212   
1 1 1 51 6  16 o 2.49905  0.129283  6.27104      0.64617  6.53225      0.907327 6.00221      0.92046  2.54588  0.178195  2.43926  0.188676  
1 1 1 51 6  17 o 3.3454   0.102951  11.2246      0.688827 10.5877      0.918861 12.0418      1.04079  3.24494  0.141583  3.45938  0.15043   
1 1 1 51 6  18 o 2.87698  0.115707  8.3102       0.665775 8.35153      0.909142 8.2624       0.977684 2.87922  0.15788   2.86201  0.170804  
1 1 1 51 6  19 o 2.5984   0.127972  6.78781      0.665046 7.24101      0.941385 6.33628      0.939653 2.67723  0.175813  2.50262  0.187734  
1 1 1 51 6  20 o 2.33255  0.153703  5.48715      0.717042 6.71059      1.03354  4.35184      0.995621 2.57172  0.200945  2.06445  0.241135  
1 1 1 51 6  21 o 4.4176   0.0979408 19.5846      0.865327 19.4394      1.21444  19.7344      1.23329  4.39336  0.138214  4.42633  0.139312  
1 1 1 51 6  22 o 1.73118  0.200284  3.04512      0.693453 3.28441      0.972505 2.79761      0.989087 1.78577  0.272293  1.615    0.317533  
1 1 1 51 6  23 o 2.34366  0.157532  5.55985      0.738404 6.05965      1.04593  5.06324      1.0426   2.43435  0.214828  2.22047  0.23477   
1 1 1 51 6  24 o 1.64908  0.212168  2.78439      0.699766 3.34669      0.974605 2.18606      1.00535  1.79455  0.271546  1.40519  0.356912  
1 1 1 51 6  25 o 2.1981   0.170446  4.91413      0.749313 6.36924      1.03089  3.28423      1.09105  2.49258  0.206791  1.73488  0.326431  
1 1 1 51 6  26 o 4.33221  0.115976  18.9307      1.00487  18.6379      1.36776  19.2741      1.4812   4.28186  0.159716  4.34949  0.170273  
1 1 1 51 6  27 o 2.73893  0.151088  7.62934      0.827638 7.44719      1.14738  7.82692      1.19498  2.68382  0.213759  2.74989  0.217278  
1 1 1 51 6  28 o 2.43617  0.174585  6.07414      0.850637 6.47437      1.19542  5.66362      1.21069  2.48979  0.240065  2.31974  0.260953  
1 1 1 51 6  29 o 0.742418 0.31533   0.144736     0.816905 0.299899     1.1153   -0.0348534   1.19989  0.873112 0.369527  0.839157 0.36941   
1 1 1 51 6  30 o 1.64654  0.247762  2.89239      0.815898 2.45438      1.16864  3.30892      1.13961  1.42253  0.39626   1.68742  0.349467  
1 1 1 51 6  31 o 0.561112 0.266396  -0.813776    0.80863  0.501101     1.14169  -2.13739     1.14547  0.896851 0.376438  0.56738  0.279659  
1 1 1 51 6  32 o 1.36976  0.309092  2.20409      0.826692 1.85832      1.14019  2.58731      1.20036  1.21019  0.40256   1.41742  0.403811  
1 1 1 51 6  33 o 1.22641  0.33475   1.87649      0.843826 1.92001      1.19908  1.83378      1.1877   1.18971  0.41233   1.16703  0.409802  
1 1 1 51 6  34 o 0.801957 0.32682   0.587274     0.82757  0.563088     1.16602  0.611824     1.17475  0.859845 0.37124   0.869953 0.374071  
1 1 1 51 6  35 o 1.26801  0.355349  2.24573      0.93702  0.999714     1.34895  3.40752      1.30256  0.917377 0.397729  1.487    0.419696  
1 1 1 51 6  36 o 0.955414 0.376617  1.4203       1.0573   3.45654      1.50308  -0.574       1.48752  1.34133  0.461961  0.715693 0.345516  
1 1 1 51 6  37 o 0.711762 0.333307  0.208923     1.18561  -0.652964    1.6317   1.17291      1.72564  0.69671  0.342091  0.852474 0.399721  
1 1 1 51 6  38 o 0.697617 0.327349  0.540661     1.16508  0.964913     1.63525  0.103271     1.66038  0.748754 0.36165   0.688983 0.339337  
1 1 1 51 7  0  o 17.6377  0.176359  311.761      6.21974  311.761      6.21974  311.761      6.21974  17.6472  0.124623  ?        ?         
1 1 1 51 7  1  o 5.04396  0.0731884 25.4579      0.738318 23.8755      1.04983  27.0064      1.03854  4.88286  0.107502  5.19364  0.0999817 
1 1 1 51 7  2  o 1.02465  0.249584  1.10022      0.507452 0.571434     0.722827 1.61411      0.712574 0.854874 0.317437  1.23949  0.291926  
1 1 1 51 7  3  o 13.3059  0.0975749 177.255      2.59664  176.555      3.66084  177.964      3.68368  13.2717  0.137918  13.3245  0.13823   
1 1 1 51 7  4  o 6.84254  0.0703166 46.8499      0.962289 46.9669      1.4269   46.7524      1.30326  6.84849  0.104176  6.8336   0.0953566 
1 1 1 51 7  5  f 2.44362  0.101503  5.97945      0.49607  5.67821      0.70591  6.27337      0.697268 2.37943  0.148336  2.50145  0.139373  
1 1 1 51 7  6  o 18.3037  0.129039  335.792      4.72378  332.657      6.62639  339.032      6.73583  18.1973  0.18207   18.3703  0.183335  
1 1 1 51 7  7  f 5.63255  0.0696104 31.7475      0.784169 32.6272      1.15246  30.9892      1.07008  5.70786  0.100954  5.56311  0.0961764 
1 1 1 51 7  8  o 4.87156  0.0726337 23.7506      0.707678 22.6954      1.04862  24.6332      0.958995 4.75965  0.110157  4.95972  0.0966783 
1 1 1 51 7  9  o 1.98035  0.128148  3.93185      0.507556 3.94794      0.740169 3.91757      0.697331 1.98149  0.18677   1.97443  0.17659   
1 1 1 51 7  10 o 3.46109  0.0841977 11.9933      0.582831 13.4993      0.884478 10.8376      0.774854 3.66965  0.120513  3.2882   0.117824  
1 1 1 51 7  11 o 6.48928  0.0754815 42.1538      0.979641 40.6282      1.43172  43.4969      1.34334  6.36676  0.112437  6.58904  0.101938  
1 1 1 51 7  12 o 1.55076  0.162613  2.41712      0.504347 1.89604      0.717569 2.92585      0.709016 1.34304  0.276608  1.70341  0.208116  
1 1 1 51 7  13 o 1.70392  0.156758  2.91791      0.534206 2.15746      0.756526 3.67416      0.75444  1.43516  0.2734    1.90926  0.197574  
1 1 1 51 7  14 o 2.732    0.107738  7.4826       0.58868  7.83943      0.852933 7.158        0.813503 2.7929   0.152697  2.66878  0.152411  
1 1 1 51 7  15 o 4.25883  0.0876031 18.1706      0.746173 18.3675      1.02487  17.9486      1.08849  4.27846  0.119771  4.22828  0.128716  
1 1 1 51 7  16 o 6.17271  0.0919604 38.188       1.13529  39.6974      1.55552  36.4675      1.66072  6.2879   0.123691  6.02375  0.137848  
1 1 1 51 7  17 f 2.7011   0.123612  7.32824      0.667776 7.68736      0.932359 6.94999      0.956874 2.76132  0.168825  2.62377  0.182347  
1 1 1 51 7  18 o 4.4573   0.0899283 19.9179      0.801675 19.717       1.07984  20.1645      1.1966   4.43002  0.121878  4.4779   0.133612  
1 1 1 51 7  19 o 1.244    0.274236  1.64782      0.663949 1.78596      0.92016  1.49777      0.958972 1.28718  0.348776  1.19164  0.366684  
1 1 1 51 7  20 o 2.87822  0.129384  8.33378      0.74479  9.04099      1.05527  7.63185      1.05132  2.99004  0.176465  2.74444  0.191537  
1 1 1 51 7  21 o 3.63898  0.106694  13.3014      0.776514 13.8724      1.06764  12.6602      1.13144  3.70951  0.143906  3.5404   0.159791  
1 1 1 51 7  22 o 1.90497  0.182107  3.67959      0.693816 3.96138      0.971605 3.38639      0.991091 1.96498  0.247231  1.81165  0.273532  
1 1 1 51 7  23 o 1.4802   0.226707  2.24771      0.671146 3.20052      0.925958 1.19311      0.974161 1.75866  0.263257  1.08642  0.372098  
1 1 1 51 7  24 o 0.484758 0.235647  -1.21044     0.724671 -0.156648    1.01022  -2.32751     1.04011  0.769154 0.338774  0.527428 0.261527  
1 1 1 51 7  25 o 0.64997  0.285672  -0.122957    0.715237 -0.15692     0.949624 -0.0784334   1.08729  0.743727 0.327915  0.809349 0.353992  
1 1 1 51 7  26 o 2.43291  0.171975  6.03736      0.8368   7.39834      1.20168  4.75611      1.16595  2.67472  0.224637  2.12749  0.27402   
1 1 1 51 7  27 o 1.11523  0.331214  1.37616      0.791789 0.859978     1.1282   1.87717      1.1115   1.00632  0.390871  1.2835   0.394734  
1 1 1 51 7  28 o 1.54611  0.276005  2.60322      0.822735 2.27247      1.14515  2.95609      1.18281  1.3969   0.39328   1.60167  0.375394  
1 1 1 51 7  29 o 0.859541 0.330625  0.629257     0.803124 0.518443     1.11065  0.750705     1.16272  0.913514 0.376494  0.975854 0.391421  
1 1 1 51 7  30 o 0.524628 0.25371   -1.14934     0.814418 -1.07444     1.15276  -1.22399     1.15077  0.669001 0.317832  0.6526   0.312303  
1 1 1 51 7  31 o 0.592311 0.275802  -0.541565    0.794366 0.158054     1.12318  -1.24173     1.12362  0.825224 0.36037   0.636313 0.305491  
1 1 1 51 7  32 o 1.65934  0.253155  3.02938      0.84014  4.40285      1.15813  1.50373      1.2206   1.96898  0.294095  1.10635  0.412167  
1 1 1 51 7  33 o 0.612551 0.283791  -0.404135    0.827586 -0.925706    1.17506  0.109214     1.16576  0.666819 0.318261  0.797503 0.356336  
1 1 1 51 7  34 o 1.66628  0.267651  3.23289      0.891965 3.61624      1.25951  2.84719      1.26336  1.61297  0.393404  1.3867   0.419711  
1 1 1 51 7  35 f 0.7431   0.325843  0.350313     0.926089 -0.307748    1.322    0.984425     1.29772  0.734078 0.34549   0.907142 0.391652  
1 1 1 51 7  36 o 0.67701  0.315739  -0.00715436  1.04629  -0.428809    1.42176  0.490966     1.54531  0.701584 0.338479  0.804183 0.37729   
1 1 1 51 7  37 o 0.590865 0.288638  -0.900129    1.12869  -0.902389    1.62084  -0.898001    1.57266  0.6823   0.336058  0.675406 0.332687  
1 1 1 51 8  0  o 9.48783  0.114451  90.1348      2.17108  90.1348      2.17108  90.1348      2.17108  9.49088  0.08089   ?        ?         
1 1 1 51 8  1  f 1.34105  0.191573  1.80702      0.513816 1.28659      0.769822 2.22513      0.690005 1.11584  0.325176  1.48647  0.232096  
1 1 1 51 8  2  f 3.76276  0.0781964 14.1698      0.588468 14.324       0.845829 14.0251      0.819246 3.78158  0.111835  3.74204  0.109465  
1 1 1 51 8  3  o 6.75143  0.0691524 45.6113      0.933755 45.0008      1.30024  46.2614      1.3418   6.70401  0.0969745 6.7971   0.098704  
1 1 1 51 8  4  o 3.35542  0.0803657 11.2688      0.53932  11.8424      0.789627 10.7673      0.738378 3.43815  0.114833  3.27849  0.11261   
1 1 1 51 8  5  o 3.42899  0.0777849 11.768       0.533447 11.8253      0.776354 11.7167      0.734224 3.43569  0.112984  3.42018  0.107337  
1 1 1 51 8  6  o 7.03432  0.0695101 49.5164      0.977913 50.6259      1.41196  48.4935      1.35571  7.11006  0.0992933 6.9589   0.0974081 
1 1 1 51 8  7  o 8.5325   0.0774463 72.8691      1.32162  73.2586      1.95141  72.5392      1.79632  8.55067  0.114109  8.50979  0.105544  
1 1 1 51 8  8  o 5.12777  0.0714604 26.3152      0.732865 25.4287      1.02752  27.2332      1.04557  5.03851  0.101967  5.21436  0.100259  
1 1 1 51 8  9  o 3.66876  0.0802075 13.4744      0.588525 13.9823      0.861017 13.029       0.806276 3.73509  0.11526   3.60575  0.111804  
1 1 1 51 8  10 o 2.23885  0.116059  5.02455      0.519678 5.48723      0.738076 4.56966      0.731835 2.33724  0.157895  2.13203  0.171629  
1 1 1 51 8  11 o 5.38299  0.0715745 29.005       0.770571 29.4209      1.1062   28.613       1.07402  5.4187   0.102072  5.34395  0.100489  
1 1 1 51 8  12 f 3.88807  0.0808479 15.1371      0.628685 14.3757      0.885187 15.9121      0.893055 3.78633  0.116893  3.98396  0.112081  
1 1 1 51 8  13 o 4.97649  0.0758431 24.7957      0.754865 24.0069      1.07667  25.5583      1.05864  4.89345  0.110011  5.04969  0.104822  
1 1 1 51 8  14 o 1.91567  0.145005  3.68762      0.555564 3.83632      0.810906 3.55608      0.762682 1.94897  0.208035  1.87686  0.20318   
1 1 1 51 8  15 o 4.49595  0.0852504 20.2511      0.766563 20.0778      1.07453  20.4307      1.09389  4.47262  0.120123  4.51161  0.121231  
1 1 1 51 8  16 o 3.73065  0.0950327 13.9532      0.709067 13.3716      0.970063 14.6203      1.03903  3.64773  0.132968  3.81378  0.136221  
1 1 1 51 8  17 o 1.89812  0.161653  3.63137      0.613675 3.83537      0.891543 3.44769      0.845982 1.943    0.229424  1.84216  0.229617  
1 1 1 51 8  18 o 1.29611  0.242926  1.7655       0.606455 1.31983      0.841356 2.24748      0.874942 1.12224  0.343083  1.44946  0.310796  
1 1 1 51 8  19 o 5.33483  0.0913139 28.5459      0.974288 27.2468      1.30279  30.1944      1.46758  5.20509  0.125146  5.47715  0.133973  
1 1 1 51 8  20 o 2.5971   0.137983  6.79246      0.716713 6.49147      0.945492 7.19904      1.09889  2.53144  0.18675   2.66206  0.206398  
1 1 1 51 8  21 o 3.38683  0.112042  11.5281      0.758932 11.9318      1.04555  11.0786      1.10337  3.43829  0.152044  3.31     0.166672  
1 1 1 51 8  22 f 3.32106  0.117203  11.1017      0.778476 11.1837      1.07528  11.0113      1.12851  3.32363  0.161764  3.29548  0.17122   
1 1 1 51 8  23 o 1.46106  0.232323  2.19447      0.678876 1.80598      0.945694 2.60752      0.975135 1.28136  0.356309  1.54654  0.325512  
1 1 1 51 8  24 o 1.6607   0.230223  2.84285      0.764661 2.10926      1.00912  3.83204      1.17181  1.37551  0.361909  1.90581  0.307431  
1 1 1 51 8  25 o 1.9105   0.198642  3.74058      0.759013 4.19033      1.02037  3.18345      1.13567  2.00622  0.254302  1.69472  0.347025  
1 1 1 51 8  26 o 1.77722  0.226099  3.27496      0.803654 3.00652      1.1406   3.5396       1.13252  1.6328   0.359007  1.79055  0.328511  
1 1 1 51 8  27 o 3.01157  0.145261  9.21556      0.874927 9.28709      1.24124  9.14493      1.23347  2.99881  0.206955  2.97563  0.207261  
1 1 1 51 8  28 o 2.48711  0.170481  6.34304      0.84801  6.24678      1.1849   6.44411      1.21417  2.4373   0.243076  2.47436  0.245351  
1 1 1 51 8  29 o 1.04335  0.342799  1.21311      0.826792 1.29933      1.17498  1.12855      1.16362  1.10158  0.40549   1.05739  0.40047   
1 1 1 51 8  30 o 1.5012   0.278078  2.52317      0.803529 2.85482      1.12386  2.17634      1.14929  1.54145  0.368917  1.32841  0.399964  
1 1 1 51 8  31 o 2.57172  0.168141  6.86862      0.864823 5.61667      1.21927  8.13618      1.22685  2.26014  0.269734  2.76069  0.222201  
1 1 1 51 8  32 o 1.75019  0.239764  3.35723      0.839263 3.76674      1.15454  2.89837      1.22213  1.76089  0.339963  1.4824   0.402076  
1 1 1 51 8  33 o 1.54352  0.28142   2.79536      0.836559 2.33381      1.18137  3.25959      1.18479  1.29817  0.408516  1.57599  0.379801  
1 1 1 51 8  34 o 1.91342  0.237499  4.17237      0.90887  5.10848      1.25962  3.15572      1.3127   2.03217  0.30992   1.438    0.426344  
1 1 1 51 8  35 o 0.620845 0.294379  -0.535409    0.984628 -1.31883     1.3711   0.298841     1.41488  0.649246 0.317383  0.815472 0.375185  
1 1 1 51 8  36 o 0.740563 0.33387   0.485219     1.04488  2.16034      1.43816  -1.38759     1.52065  1.01976  0.42493   0.64027  0.317173  
1 1 1 51 8  37 o 0.485218 0.244721  -2.33407     1.11512  -1.73492     1.62489  -2.86748     1.53315  0.622718 0.311312  0.553639 0.279915  
1 1 1 51 9  0  o 7.20863  0.110287  52.045       1.5892   52.045       1.5892   52.045       1.5892   7.21142  0.0779339 ?        ?         
1 1 1 51 9  1  o 7.30235  0.070762  53.3618      1.03346  52.8549      1.51549  53.8024      1.41296  7.26459  0.104306  7.33023  0.0963789 
1 1 1 51 9  2  o 11.6181  0.0895311 135.134      2.08037  134.37       2.97789  135.862      2.90755  11.5783  0.128598  11.6431  0.124861  
1 1 1 51 9  3  o 4.24069  0.0748224 17.9978      0.634597 18.0411      0.905025 17.956       0.890073 4.24402  0.106624  4.23409  0.105108  
1 1 1 51 9  4  o 1.8188   0.130861  3.31627      0.476021 3.23784      0.690481 3.38731      0.657146 1.79454  0.192384  1.83616  0.178946  
1 1 1 51 9  5  o 1.89536  0.127966  3.60117      0.485086 4.07361      0.715147 3.19857      0.660175 2.01355  0.177584  1.78386  0.185041  
1 1 1 51 9  6  f 2.70439  0.0955307 7.32401      0.516704 7.06484      0.733206 7.5797       0.728279 2.65403  0.138131  2.74937  0.132445  
1 1 1 51 9  7  o 1.97254  0.129344  3.90143      0.510275 4.05453      0.72108  3.74785      0.722196 2.00832  0.179523  1.93044  0.187055  
1 1 1 51 9  8  o 3.76732  0.0802783 14.2083      0.604869 14.9687      0.858273 13.458       0.852582 3.86485  0.111036  3.66426  0.116338  
1 1 1 51 9  9  o 6.9323   0.0742993 48.1047      1.03013  47.9986      1.45856  48.2103      1.45509  6.92114  0.10537   6.93645  0.104887  
1 1 1 51 9  10 o 5.04091  0.0723004 25.4362      0.72892  26.1401      1.03191  24.7352      1.02979  5.10776  0.101014  4.96835  0.103635  
1 1 1 51 9  11 o 2.95096  0.0942847 8.72376      0.556461 8.93471      0.784726 8.5104       0.789202 2.98393  0.131492  2.9119   0.135513  
1 1 1 51 9  12 o 3.58078  0.0848855 12.8414      0.607913 12.7374      0.866212 12.9424      0.853368 3.56346  0.121541  3.59226  0.118779  
1 1 1 51 9  13 o 1.40923  0.188035  2.00184      0.52997  2.37333      0.764941 1.65891      0.734941 1.52982  0.250011  1.25095  0.29766   
1 1 1 51 9  14 o 1.06482  0.259755  1.19838      0.549026 1.93515      0.786602 0.498502     0.766662 1.35048  0.299162  0.841237 0.323168  
1 1 1 51 9  15 o 4.81349  0.0885748 23.2198      0.852708 22.8109      1.16539  23.6909      1.25097  4.76636  0.122252  4.85634  0.128798  
1 1 1 51 9  16 o 3.19969  0.104312  10.2708      0.667531 8.66598      0.91591  12.0891      0.974913 2.93335  0.15612   3.46691  0.140602  
1 1 1 51 9  17 o 4.38513  0.0859087 19.2744      0.753442 19.8121      1.03418  18.6663      1.09991  4.44142  0.116424  4.30919  0.127624  
1 1 1 51 9  18 f 2.61385  0.131651  6.87403      0.688231 6.85941      1.04147  6.88537      0.916984 2.60058  0.200237  2.60972  0.175686  
1 1 1 51 9  19 o 3.00644  0.123116  9.08769      0.740284 9.20452      1.02251  8.95901      1.07317  3.01829  0.169386  2.97573  0.18032   
1 1 1 51 9  20 o 2.84534  0.125923  8.14643      0.716585 8.02922      0.991453 8.27463      1.03688  2.81649  0.176009  2.85814  0.181391  
1 1 1 51 9  21 o 0.994986 0.304843  1.0359       0.663762 0.707497     0.929286 1.37795      0.948407 0.941975 0.357552  1.14669  0.366629  
1 1 1 51 9  22 o 5.10499  0.0941835 26.1769      0.96161  26.8344      1.33888  25.4765      1.38199  5.15851  0.129773  5.02371  0.137547  
1 1 1 51 9  23 o 3.93867  0.109443  15.6163      0.862118 14.3946      1.16969  17.0692      1.27563  3.76883  0.155179  4.10396  0.155414  
1 1 1 51 9  24 o 3.14905  0.130416  10.0174      0.821375 11.3047      1.07706  8.22828      1.26979  3.33625  0.161417  2.82601  0.224662  
1 1 1 51 9  25 o 2.24983  0.170352  5.1586       0.766526 4.84417      1.04851  5.51958      1.12343  2.15922  0.242798  2.30449  0.243748  
1 1 1 51 9  26 o 0.929087 0.328493  0.853768     0.764323 1.09221      1.07282  0.607993     1.0892   1.05542  0.387562  0.939447 0.378001  
1 1 1 51 9  27 o 4.28868  0.116729  18.5878      1.00122  18.9971      1.46315  18.2273      1.37303  4.31048  0.169721  4.22614  0.162445  
1 1 1 51 9  28 f 2.06136  0.198832  4.3976       0.819728 3.80427      1.14861  5.01347      1.17023  1.87407  0.306449  2.17031  0.269601  
1 1 1 51 9  29 o 1.27571  0.318472  1.87258      0.810913 1.03438      1.15107  2.69847      1.14259  1.02521  0.395512  1.50048  0.380124  
1 1 1 51 9  30 o 0.599657 0.27773   -0.495159    0.791811 -0.0688093   1.08526  -0.980436    1.15784  0.777835 0.34578   0.677933 0.320396  
1 1 1 51 9  31 o 1.17339  0.335711  1.66013      0.827943 1.86408      1.15408  1.44385      1.18845  1.21196  0.405005  1.09983  0.407305  
1 1 1 51 9  32 o 0.966327 0.339043  1.11677      0.812818 1.10487      1.11362  1.13034      1.18909  0.983398 0.386877  0.996342 0.397292  
1 1 1 51 9  33 o 1.70803  0.249245  3.28709      0.851437 2.45317      1.16656  4.23774      1.24554  1.32439  0.403804  1.82514  0.353848  
1 1 1 51 9  34 o 0.63849  0.294147  -0.199727    0.873008 -0.982422    1.26016  0.522572     1.21057  0.657184 0.31743   0.829432 0.36738   
1 1 1 51 9  35 o 1.01789  0.37295   1.5744       0.992975 3.61332      1.38288  -0.595785    1.4267   1.46424  0.438302  0.713132 0.342823  
1 1 1 51 9  36 o 0.715308 0.326578  0.373338     1.0493   2.96856      1.54801  -1.8326      1.42719  1.12059  0.450741  0.589429 0.294255  
1 1 1 51 9  37 o 0.756861 0.342349  0.864199     1.10768  1.45394      1.46554  0.0784131    1.69168  0.82635  0.380852  0.710096 0.348554  
1 1 1 51 10 0  o 1.06138  0.380132  1.49907      0.73543  1.49907      0.73543  1.49907      0.73543  1.14299  0.261555  ?        ?         
1 1 1 51 10 1  o 8.75725  0.076899  76.7565      1.34685  77.2837      1.98175  76.304       1.83605  8.78276  0.11282   8.728    0.105181  
1 1 1 51 10 2  o 10.0472  0.0831856 101.051      1.67157  102.328      2.48489  99.9957      2.25912  10.1042  0.122963  9.99016  0.113067  
1 1 1 51 10 3  o 0.466925 0.215288  -0.374021    0.468934 0.227737     0.658219 -0.994241    0.66824  0.72368  0.292746  0.486817 0.234172  
1 1 1 51 10 4  o 6.44781  0.0684659 41.6045      0.88291  43.3614      1.32291  40.1934      1.18559  6.57973  0.100529  6.33548  0.0935678 
1 1 1 51 10 5  o 1.00249  0.245992  1.05513      0.49018  1.10418      0.709959 1.01045      0.67761  1.03872  0.314681  0.998032 0.308461  
1 1 1 51 10 6  o 4.07077  0.0763878 16.5873      0.621914 17.0429      0.878697 16.1299      0.880345 4.12437  0.106525  4.01216  0.10971   
1 1 1 51 10 7  o 9.41298  0.0795613 88.7023      1.49782  87.5584      2.06327  89.9768      2.17785  9.34725  0.110367  9.47461  0.114931  
1 1 1 51 10 8  f 1.81816  0.134815  3.31669      0.490228 2.68825      0.69018  3.95658      0.696438 1.63291  0.211334  1.98351  0.175557  
1 1 1 51 10 9  o 0.368484 0.182072  -1.1181      0.493155 -0.490659    0.681069 -1.80965     0.715021 0.570274 0.261504  0.426537 0.212276  
1 1 1 51 10 10 f 1.9885   0.129729  3.96755      0.515931 4.22436      0.710903 3.68175      0.749934 2.04914  0.173464  1.91142  0.196172  
1 1 1 51 10 11 o 1.4438   0.174464  2.09787      0.503782 2.7449       0.681942 1.32053      0.747467 1.64944  0.206719  1.12233  0.318304  
1 1 1 51 10 12 o 2.36601  0.115525  5.61473      0.546666 5.85746      0.788621 5.39021      0.758466 2.41305  0.163408  2.31477  0.163832  
1 1 1 51 10 13 f 3.51908  0.0910845 12.4089      0.641067 12.8124      0.921811 12.031       0.892129 3.57223  0.129025  3.4616   0.128861  
1 1 1 51 10 14 o 6.78983  0.0878094 46.1973      1.19242  45.399       1.57239  47.2778      1.8293   6.72564  0.116895  6.85965  0.133338  
1 1 1 51 10 15 o 10.2298  0.104383  104.978      2.13563  108.437      3.09959  101.852      2.94669  10.3802  0.149303  10.0613  0.146437  
1 1 1 51 10 16 o 3.61937  0.0971481 13.1381      0.70323  13.8422      1.01273  12.4824      0.977254 3.70979  0.136494  3.52254  0.138715  
1 1 1 51 10 17 o 2.38206  0.131209  5.70725      0.625098 4.96201      0.889201 6.43537      0.878934 2.21235  0.200963  2.52377  0.174132  
1 1 1 51 10 18 o 2.67875  0.131028  7.21999      0.701983 6.13842      1.03149  8.15307      0.958074 2.45806  0.209819  2.84076  0.16863   
1 1 1 51 10 19 o 1.68009  0.193917  2.86236      0.651594 2.84988      0.896574 2.87632      0.948613 1.66563  0.269139  1.64493  0.299418  
1 1 1 51 10 20 o 0.790117 0.293254  0.513381     0.616745 0.525644     0.888528 0.501979     0.856758 0.881837 0.34598   0.865357 0.339688  
1 1 1 51 10 21 o 2.6264   0.133988  6.9568       0.70381  6.22507      0.959629 7.80857      1.03536  2.47308  0.194015  2.7716   0.18678   
1 1 1 51 10 22 o 2.64424  0.133078  7.05574      0.703783 7.54031      0.956454 6.4836       1.0393   2.72441  0.175534  2.5188   0.206308  
1 1 1 51 10 23 o 0.54506  0.257456  -0.816844    0.746676 -1.74518     0.957264 0.625535     1.19322  0.540133 0.264311  0.982379 0.395489  
1 1 1 51 10 24 o 0.979337 0.323385  0.994744     0.735793 0.289647     0.966708 1.96575      1.13444  0.839239 0.348963  1.32298  0.397178  
1 1 1 51 10 25 o 1.4202   0.27338   2.18342      0.748797 2.3278       1.01755  2.0129       1.10587  1.43654  0.355611  1.33077  0.390363  
1 1 1 51 10 26 f 2.02709  0.197344  4.2304       0.800068 5.1394       1.10483  3.22814      1.16013  2.21535  0.249358  1.69209  0.354232  
1 1 1 51 10 27 o 0.983811 0.334114  1.02114      0.785428 1.16696      1.06799  0.849366     1.15912  1.06727  0.387197  1.00348  0.394726  
1 1 1 51 10 28 o 1.38989  0.29559   2.15895      0.797047 2.1473       1.12193  2.17082      1.13253  1.34716  0.392552  1.35363  0.394392  
1 1 1 51 10 29 o 2.16692  0.195994  4.9061       0.849407 5.04532      1.22587  4.77753      1.17804  2.14629  0.285579  2.09102  0.281691  
1 1 1 51 10 30 o 0.702997 0.305812  0.0560594    0.802563 -0.072371    1.08875  0.20889      1.18768  0.775599 0.345515  0.851045 0.371119  
1 1 1 51 10 31 o 0.650681 0.292922  -0.165486    0.801385 0.0704514    1.11901  -0.413903    1.14822  0.794853 0.352492  0.731373 0.337091  
1 1 1 51 10 32 o 1.79917  0.238466  3.58092      0.858081 3.83948      1.19216  3.30298      1.23605  1.75174  0.352665  1.57909  0.392571  
1 1 1 51 10 33 o 1.69014  0.266286  3.31438      0.900119 2.44163      1.22835  4.32653      1.32282  1.28463  0.417832  1.79249  0.380499  
1 1 1 51 10 34 o 1.39709  0.326585  2.58211      0.897085 1.49393      1.3202   3.51555      1.22273  1.00234  0.411347  1.55063  0.393471  
1 1 1 51 10 35 o 0.713496 0.324153  0.279207     1.00748  0.263774     1.3871   0.296439     1.46574  0.768465 0.359977  0.78099  0.366596  
1 1 1 51 10 36 o 0.574535 0.281748  -1.01584     1.10095  -1.0847      1.57362  -0.949822    1.54086  0.662553 0.32686   0.666079 0.328074  
1 1 1 51 10 37 o 0.817743 0.365405  1.43356      1.22605  2.51547      1.53845  -0.449571    2.02968  0.92025  0.410315  0.682133 0.342043  
1 1 1 51 11 0  o 6.60433  0.104652  43.6878      1.38153  43.6878      1.38153  43.6878      1.38153  6.60699  0.0739493 ?        ?         
1 1 1 51 11 1  o 6.57762  0.0695104 43.2983      0.914425 42.7441      1.31085  43.8236      1.27623  6.53262  0.100331  6.615    0.0964649 
1 1 1 51 11 2  o 4.85518  0.0679368 23.5902      0.65969  23.1241      0.941968 24.0389      0.924172 4.80501  0.0980194 4.89941  0.0943147 
1 1 1 51 11 3  o 4.42543  0.0712168 19.6007      0.63033  19.5106      0.898127 19.6882      0.884864 4.4133   0.101752  4.4335   0.0997931 
1 1 1 51 11 4  o 3.62596  0.0803387 13.1618      0.582609 12.8544      0.838749 13.4484      0.809878 3.58116  0.117106  3.66342  0.110536  
1 1 1 51 11 5  f 6.055    0.0739519 36.6978      0.895557 35.6824      1.30264  37.6078      1.23323  5.96727  0.109149  6.1271   0.100637  
1 1 1 51 11 6  o 13.3108  0.102939  177.514      2.74039  176.284      3.90704  178.706      3.84471  13.2512  0.147422  13.3431  0.144071  
1 1 1 51 11 7  o 2.12796  0.117954  4.53998      0.502001 4.39367      0.717464 4.68032      0.70264  2.09035  0.171613  2.15806  0.162795  
1 1 1 51 11 8  o 7.49727  0.0758282 56.2724      1.13701  54.9953      1.5884   57.6145      1.62829  7.40756  0.107215  7.58188  0.10738   
1 1 1 51 11 9  o 4.33906  0.080601  18.8522      0.699465 19.882       1.00535  17.8862      0.973788 4.45319  0.11288   4.22354  0.115281  
1 1 1 51 11 10 o 1.20803  0.215509  1.51759      0.501954 1.63517      0.701628 1.39432      0.718409 1.24387  0.287563  1.14941  0.306715  
1 1 1 51 11 11 o 2.18389  0.122629  4.78541      0.535619 4.73548      0.760015 4.83468      0.754969 2.16873  0.175222  2.19157  0.172244  
1 1 1 51 11 12 o 2.88125  0.106619  8.32433      0.614395 9.52994      0.823534 6.81101      0.922664 3.08045  0.133671  2.59997  0.177438  
1 1 1 51 11 13 o 2.51855  0.120882  6.36754      0.608895 6.2002       0.8457   6.54766      0.87739  2.48059  0.170463  2.54897  0.172107  
1 1 1 51 11 14 o 3.75787  0.0944732 14.1574      0.710036 15.0124      1.01518  13.3387      0.99346  3.86518  0.131323  3.64267  0.136364  
1 1 1 51 11 15 o 3.46023  0.0955495 12.0064      0.661246 10.8185      0.917335 13.2912      0.954032 3.27944  0.139862  3.63624  0.131184  
1 1 1 51 11 16 o 4.6414   0.0974281 21.6094      0.904406 21.6288      1.25203  21.5883      1.30784  4.6367   0.135013  4.63106  0.141204  
1 1 1 51 11 17 o 6.01365  0.0901457 36.2702      1.08421  34.0439      1.48953  38.7788      1.58118  5.81743  0.128023  6.20901  0.127329  
1 1 1 51 11 18 o 2.37678  0.146959  5.69278      0.698577 4.77981      1.02063  6.49748      0.958198 2.16461  0.235754  2.53266  0.189168  
1 1 1 51 11 19 o 5.58852  0.0926653 31.3376      1.03572  32.8062      1.5067   30.022       1.42609  5.70802  0.131981  5.46084  0.130575  
1 1 1 51 11 20 f 2.17952  0.14858   4.79471      0.647667 5.30647      0.901607 4.24907      0.930977 2.28467  0.197317  2.03876  0.228319  
1 1 1 51 11 21 o 2.23533  0.150534  5.0536       0.67299  4.80365      0.912758 5.35133      0.99621  2.16781  0.210525  2.2863   0.217865  
1 1 1 51 11 22 o 3.71741  0.106182  13.9052      0.789442 13.818       1.0655   14.0114      1.17546  3.69601  0.144142  3.7175   0.158099  
1 1 1 51 11 23 o 1.28949  0.289843  1.80884      0.729263 2.3412       0.970876 1.1196       1.1047   1.45436  0.339609  1.08012  0.393605  
1 1 1 51 11 24 o 3.71484  0.115496  13.92        0.858097 15.7975      1.16615  11.703       1.26721  3.94648  0.147745  3.38231  0.187329  
1 1 1 51 11 25 o 0.900978 0.326889  0.767692     0.761221 0.683146     1.03415  0.867672     1.12458  0.943159 0.372255  1.00817  0.390521  
1 1 1 51 11 26 o 1.79149  0.217115  3.32563      0.777918 2.88706      1.05563  3.84686      1.15081  1.60406  0.339468  1.89531  0.303595  
1 1 1 51 11 27 o 1.56816  0.252555  2.59699      0.792092 2.3706       1.07468  2.86625      1.17201  1.42855  0.372381  1.56984  0.377386  
1 1 1 51 11 28 o 3.12286  0.147212  9.97365      0.919447 10.1583      1.28661  9.78087      1.31442  3.11872  0.206272  3.05452  0.21516   
1 1 1 51 11 29 o 0.698686 0.303443  0.0498721    0.787772 -0.279093    1.0784   0.426289     1.15355  0.74348  0.336966  0.886823 0.375594  
1 1 1 51 11 30 o 0.698552 0.306506  0.0143002    0.820511 -0.520232    1.12275  0.627018     1.20206  0.717102 0.331584  0.925672 0.387282  
1 1 1 51 11 31 f 1.74135  0.241456  3.32942      0.840921 3.13263      1.16399  3.54425      1.21621  1.56822  0.375525  1.67499  0.372782  
1 1 1 51 11 32 f 1.16208  0.346757  1.72526      0.866467 2.48117      1.20553  0.917459     1.24622  1.33645  0.411106  0.950225 0.395732  
1 1 1 51 11 33 o 0.594612 0.280738  -0.577422    0.88633  -0.863859    1.23544  -0.273638    1.2723   0.6691   0.321013  0.741029 0.346594  
1 1 1 51 11 34 o 1.11528  0.362423  1.80158      0.924164 1.83223      1.29197  1.76947      1.32249  1.06618  0.417424  1.05052  0.418958  
1 1 1 51 11 35 f 0.716923 0.327322  0.302328     1.05415  -0.412013    1.52004  0.964217     1.46317  0.711146 0.344377  0.84394  0.385446  
1 1 1 51 11 36 o 0.750543 0.340422  0.59404      1.10266  1.11098      1.48938  -0.0329928   1.64032  0.837427 0.385139  0.736946 0.357074  
1 1 1 51 12 0  o 3.58222  0.11462   12.8861      0.819284 12.8861      0.819284 12.8861      0.819284 3.58598  0.0808688 ?        ?         
1 1 1 51 12 1  o 5.22475  0.0692033 27.3206      0.723139 27.3157      1.01624  27.3256      1.02923  5.22214  0.0973014 5.22298  0.0985287 
1 1 1 51 12 2  o 1.29109  0.181131  1.67648      0.467715 2.02382      0.663733 1.33389      0.659187 1.41579  0.234404  1.12546  0.290839  
1 1 1 51 12 3  o 6.2318   0.0718261 38.8709      0.895212 39.2661      1.26278  38.4715      1.26929  6.26059  0.100852  6.19674  0.102416  
1 1 1 51 12 4  o 3.80521  0.0781847 14.4957      0.595019 14.9195      0.827861 14.0427      0.855802 3.85855  0.107276  3.74292  0.114323  
1 1 1 51 12 5  o 2.95995  0.0931444 8.77544      0.551405 7.10756      0.772704 10.5061      0.787102 2.66077  0.145203  3.23684  0.121585  
1 1 1 51 12 6  o 4.02446  0.0780123 16.2153      0.627915 15.455       0.893977 16.9557      0.882152 3.92638  0.113842  4.11317  0.107235  
1 1 1 51 12 7  o 2.62227  0.101891  6.89054      0.53437  8.27745      0.789267 5.71673      0.726104 2.87167  0.137423  2.38548  0.152192  
1 1 1 51 12 8  o 1.65747  0.146588  2.75931      0.48593  2.07802      0.687989 3.43751      0.686432 1.41139  0.252883  1.84756  0.185767  
1 1 1 51 12 9  o 4.09544  0.0786921 16.7947      0.644557 16.813       0.936509 16.7781      0.88847  4.09474  0.114355  4.09104  0.108587  
1 1 1 51 12 10 o 2.79004  0.0957937 7.80036      0.534536 7.54659      0.751288 8.06054      0.760697 2.74135  0.137029  2.8334   0.134237  
1 1 1 51 12 11 o 3.85476  0.0841324 14.8844      0.64862  14.8142      0.916767 14.9548      0.917809 3.84236  0.119297  3.8606   0.118869  
1 1 1 51 12 12 o 1.41006  0.191873  2.00742      0.541106 2.13953      0.747559 1.86202      0.784237 1.42664  0.271773  1.32346  0.302718  
1 1 1 51 12 13 o 3.38948  0.0951849 11.5179      0.645254 11.2166      0.902617 11.8328      0.922769 3.34061  0.135098  3.43121  0.134467  
1 1 1 51 12 14 o 2.19032  0.137805  4.82477      0.603676 6.81405      0.857982 2.87446      0.849535 2.59985  0.165006  1.6795   0.252913  
1 1 1 51 12 15 o 5.08514  0.0822898 25.9146      0.836911 24.4541      1.13946  27.6254      1.23324  4.93449  0.115459  5.24428  0.117579  
1 1 1 51 12 16 o 2.00099  0.163413  4.0415       0.653974 3.44942      0.946886 4.58152      0.904302 1.83579  0.257896  2.12348  0.212929  
1 1 1 51 12 17 o 4.9248   0.0972196 24.3358      0.957573 21.9288      1.41322  26.3789      1.30203  4.6635   0.15152   5.12109  0.127124  
1 1 1 51 12 18 o 3.53263  0.105945  12.533       0.748531 12.0696      1.05178  13.0087      1.06552  3.45882  0.152043  3.59163  0.148334  
1 1 1 51 12 19 o 4.08639  0.0959186 16.7603      0.783921 15.0625      1.11053  18.4465      1.10674  3.8649   0.143669  4.28046  0.129278  
1 1 1 51 12 20 o 1.34738  0.248227  1.92448      0.643831 1.91824      0.895211 1.93117      0.92663  1.32402  0.337095  1.3272   0.345697  
1 1 1 51 12 21 o 2.2066   0.150527  4.92619      0.664307 4.70711      0.899404 5.18917      0.985421 2.14527  0.209625  2.25016  0.218967  
1 1 1 51 12 22 o 0.650444 0.286694  -0.146204    0.7251   0.312158     0.960912 -0.752352    1.10501  0.844832 0.349391  0.712995 0.329406  
1 1 1 51 12 23 o 3.69594  0.108115  13.7588      0.799178 15.1048      1.11234  12.3226      1.14897  3.86155  0.144027  3.48087  0.16504   
1 1 1 51 12 24 o 2.15256  0.175058  4.73185      0.753645 6.37589      1.03164  2.85039      1.10362  2.48831  0.207298  1.59299  0.355514  
1 1 1 51 12 25 o 3.17747  0.132532  10.2303      0.842232 11.1449      1.17207  9.25371      1.21108  3.2993   0.177623  2.99609  0.20211   
1 1 1 51 12 26 o 2.22861  0.179848  5.09849      0.801619 5.49033      1.08556  4.6286       1.18878  2.29105  0.236914  2.08305  0.285345  
1 1 1 51 12 27 o 0.765467 0.312286  0.334036     0.756428 1.45673      1.04206  -0.916451    1.09977  1.14112  0.384847  0.676369 0.317498  
1 1 1 51 12 28 o 1.76506  0.235347  3.31083      0.830804 2.36838      1.13597  4.39466      1.2182   1.39558  0.391311  1.99313  0.3056    
1 1 1 51 12 29 o 0.873795 0.334937  0.717138     0.822041 -0.194974    1.11929  1.78524      1.21123  0.767689 0.345856  1.2079   0.41482   
1 1 1 51 12 30 o 1.18779  0.333355  1.70319      0.824026 2.33798      1.14366  1.01785      1.18832  1.35086  0.397205  0.99699  0.397286  
1 1 1 51 12 31 o 1.03341  0.343275  1.32078      0.829091 1.21934      1.10888  1.44938      1.24853  1.00951  0.388457  1.07054  0.412141  
1 1 1 51 12 32 o 0.810047 0.33049   0.596084     0.847228 0.653956     1.16395  0.53087      1.23558  0.8788   0.374919  0.869104 0.378766  
1 1 1 51 12 33 o 1.4348   0.320884  2.67196      0.897534 2.43665      1.22765  2.94215      1.31551  1.24578  0.417714  1.35842  0.431538  
1 1 1 51 12 34 o 0.636504 0.298411  -0.315725    0.960498 -0.845903    1.33133  0.259791     1.38709  0.672811 0.325201  0.797691 0.368736  
1 1 1 51 12 35 o 1.70817  0.344942  4.31471      1.13718  2.80906      1.60842  5.81957      1.608    1.08171  0.449976  1.7677   0.452815  
1 1 1 51 12 36 o 0.70808  0.327501  0.454139     1.09623  0.138975     1.46353  0.856975     1.65461  0.70753  0.341807  0.780478 0.373735  
1 1 1 51 13 0  f 2.69422  0.14032   7.33082      0.751423 7.33082      0.751423 7.33082      0.751423 2.70095  0.0986598 ?        ?         
1 1 1 51 13 1  o 8.56673  0.077025  73.4699      1.3197   71.2822      1.84685  75.7524      1.88646  8.43347  0.109496  8.69406  0.108492  
1 1 1 51 13 2  f 5.32106  0.0686035 28.3387      0.730087 28.0898      1.03672  28.5836      1.02833  5.29521  0.0978921 5.34172  0.0962546 
1 1 1 51 13 3  o 4.30418  0.0759192 18.5463      0.65354  18.2919      0.87892  18.8609      0.977392 4.2726   0.102855  4.33766  0.112663  
1 1 1 51 13 4  o 4.61635  0.0713703 21.3318      0.65894  20.6478      0.908077 22.0926      0.957664 4.53957  0.100018  4.69553  0.101976  
1 1 1 51 13 5  o 3.1438   0.0845646 9.89757      0.531709 9.49553      0.734985 10.339       0.770147 3.07713  0.119427  3.21085  0.119929  
1 1 1 51 13 6  o 1.99731  0.116064  4.00016      0.46363  4.2862       0.635879 3.67551      0.677436 2.06537  0.153939  1.9111   0.177237  
1 1 1 51 13 7  o 2.68422  0.0952961 7.21867      0.511591 6.84974      0.725407 7.58374      0.721605 2.61199  0.138861  2.74896  0.131251  
1 1 1 51 13 8  o 4.37993  0.0734983 19.2062      0.643835 19.7499      0.930514 18.7068      0.891761 4.43885  0.104815  4.3202   0.103208  
1 1 1 51 13 9  o 6.91524  0.0835974 47.8967      1.15619  46.1539      1.77074  49.1918      1.52651  6.78056  0.130575  7.00425  0.10897   
1 1 1 51 13 10 o 4.75203  0.0752334 22.6128      0.715023 23.3078      1.05829  22.0291      0.969878 4.82078  0.109763  4.68744  0.103455  
1 1 1 51 13 11 o 2.39954  0.112032  5.77673      0.537651 5.13746      0.777673 6.36205      0.744142 2.2579   0.172212  2.51516  0.147932  
1 1 1 51 13 12 o 1.06051  0.251717  1.18983      0.526596 1.4733       0.757153 0.924242     0.73288  1.17707  0.315233  0.970045 0.322744  
1 1 1 51 13 13 o 2.85199  0.105932  8.16095      0.604235 7.66539      0.836135 8.70262      0.874166 2.75932  0.151511  2.94045  0.148645  
1 1 1 51 13 14 o 2.37243  0.125105  5.65619      0.593603 6.41472      0.853876 4.94673      0.82579  2.52125  0.169336  2.21189  0.18667   
1 1 1 51 13 15 o 2.66655  0.123029  7.14736      0.656125 7.33824      0.925382 6.95438      0.93044  2.69521  0.171671  2.62288  0.17737   
1 1 1 51 13 16 o 1.72225  0.192249  3.00558      0.662203 2.44874      0.982684 3.46878      0.896265 1.50671  0.334889  1.84283  0.243176  
1 1 1 51 13 17 o 2.83848  0.123954  8.10277      0.703685 6.31149      0.97612  10.041       1.01536  2.49455  0.195651  3.15357  0.160986  
1 1 1 51 13 18 o 3.74617  0.104699  14.095       0.784438 14.7381      1.06566  13.3344      1.15893  3.82422  0.13933   3.63321  0.159491  
1 1 1 51 13 19 o 1.99835  0.162079  4.03975      0.647781 3.58633      0.924931 4.47626      0.907518 1.86855  0.2475    2.09402  0.216693  
1 1 1 51 13 20 o 4.76844  0.0993142 22.8512      0.947148 23.2709      1.27133  22.3277      1.41988  4.80286  0.132352  4.6983   0.151106  
1 1 1 51 13 21 o 3.00401  0.123698  9.10115      0.743177 9.19969      0.966098 8.95831      1.16314  3.01145  0.160404  2.96119  0.196397  
1 1 1 51 13 22 o 2.292    0.165332  5.33891      0.757882 5.07068      1.00873  5.68657      1.14842  2.2178   0.227416  2.34296  0.245079  
1 1 1 51 13 23 o 2.08277  0.171316  4.42072      0.713622 4.13135      0.967062 4.76669      1.05741  1.9946   0.24242   2.14099  0.246943  
1 1 1 51 13 24 o 1.69958  0.222037  2.99455      0.754741 2.23029      1.04843  3.81662      1.08736  1.39858  0.36931   1.89672  0.286643  
1 1 1 51 13 25 o 1.42954  0.27376   2.22115      0.754787 1.91652      1.01926  2.59103      1.12315  1.29647  0.372995  1.50301  0.37455   
1 1 1 51 13 26 o 2.10179  0.184209  4.54888      0.77434  4.52455      1.06816  4.57583      1.12415  2.06763  0.258305  2.07353  0.271071  
1 1 1 51 13 27 o 2.86638  0.144607  8.39082      0.828998 9.32409      1.14476  7.36172      1.2021   2.9989   0.190864  2.6452   0.227223  
1 1 1 51 13 28 o 0.54504  0.259524  -0.817472    0.772446 -1.11806     1.03183  -0.434236    1.16508  0.618441 0.295901  0.751011 0.343396  
1 1 1 51 13 29 o 2.24456  0.18509   5.26746      0.830892 4.89059      1.16268  5.66083      1.18784  2.10699  0.27591   2.27814  0.260705  
1 1 1 51 13 30 o 0.728847 0.311708  0.215377     0.808038 -0.313912    1.10725  0.818406     1.18187  0.731045 0.334475  0.944577 0.388681  
1 1 1 51 13 31 o 1.74581  0.244747  3.39166      0.854564 4.38412      1.12416  2.03304      1.31529  1.94769  0.288589  1.20498  0.430428  
1 1 1 51 13 32 o 1.59684  0.297607  3.11211      0.915052 2.77356      1.28381  3.46171      1.3046   1.36028  0.425423  1.55063  0.413113  
1 1 1 51 13 33 o 2.39294  0.205851  6.39193      0.985177 6.4348       1.33364  6.34043      1.46164  2.28542  0.291771  2.21021  0.330657  
1 1 1 51 13 34 o 2.00788  0.278159  5.14222      1.11702  5.33936      1.60161  4.9555       1.55867  1.72771  0.456566  1.65626  0.456237  
1 1 1 51 13 35 o 1.08005  0.395114  2.16552      1.11413  1.27857      1.47856  3.33072      1.6947   0.867177 0.393632  1.14901  0.467874  
1 1 1 51 13 36 o 0.886548 0.376949  1.79338      1.16958  1.52503      1.46412  2.26656      1.94422  0.806723 0.375175  0.841064 0.403319  
1 1 1 51 14 0  o 2.54097  0.151934  6.54009      0.7658   6.54009      0.7658   6.54009      0.7658   2.54927  0.106631  ?        ?         
1 1 1 51 14 1  o 7.12025  0.0779249 50.7593      1.10969  49.0532      1.55481  52.5306      1.58428  6.99523  0.111134  7.2392   0.109424  
1 1 1 51 14 2  o 11.4288  0.0916786 130.837      2.09555  130.635      2.9174   131.052      3.01198  11.411   0.127833  11.428   0.13178   
1 1 1 51 14 3  o 2.3903   0.105036  5.72629      0.502134 4.94075      0.674916 6.70018      0.751487 2.21762  0.152172  2.58297  0.145469  
1 1 1 51 14 4  o 3.73403  0.0770197 13.9599      0.575187 13.4935      0.792833 14.4782      0.835738 3.66898  0.108045  3.80034  0.109956  
1 1 1 51 14 5  o 5.97923  0.0717443 35.7896      0.857952 35.8862      1.25454  35.7047      1.17592  5.98371  0.10483   5.96935  0.0984968 
1 1 1 51 14 6  o 6.67831  0.0711279 44.6479      0.950028 42.2411      1.30779  47.3372      1.3824   6.49235  0.100718  6.87285  0.100569  
1 1 1 51 14 7  o 5.69638  0.0687069 32.4828      0.782762 32.3934      1.10394  32.5732      1.11007  5.6856   0.0970825 5.70132  0.0973516 
1 1 1 51 14 8  o 5.74078  0.0725993 32.997       0.833553 31.6092      1.18407  34.3605      1.17365  5.61496  0.105439  5.85495  0.100227  
1 1 1 51 14 9  o 9.00799  0.0825304 81.2803      1.48687  77.865       2.08495  84.8147      2.12101  8.80893  0.118343  9.19443  0.115342  
1 1 1 51 14 10 o 3.01089  0.0922593 9.08589      0.555565 8.36338      0.791323 9.78818      0.78017  2.88482  0.137153  3.1222   0.124939  
1 1 1 51 14 11 o 2.58397  0.109949  6.69962      0.568212 6.47125      0.837042 6.8948       0.773823 2.53423  0.165147  2.61782  0.147799  
1 1 1 51 14 12 o 4.79325  0.0798394 23.0186      0.765381 24.3408      1.14752  21.9591      1.02726  4.92381  0.116528  4.67776  0.109803  
1 1 1 51 14 13 o 4.79619  0.0797581 23.0493      0.76507  23.2385      1.13524  22.8918      1.03556  4.81008  0.118007  4.77569  0.10842   
1 1 1 51 14 14 o 3.52146  0.0956178 12.4389      0.673429 13.4896      1.00427  11.5805      0.907768 3.66109  0.137155  3.39268  0.133783  
1 1 1 51 14 15 o 2.01061  0.152777  4.07657      0.61435  4.67921      0.918911 3.58949      0.826121 2.14537  0.214161  1.87819  0.219925  
1 1 1 51 14 16 o 3.79941  0.107455  14.4956      0.816533 14.0633      1.15733  14.9241      1.15219  3.73381  0.154979  3.8475   0.149733  
1 1 1 51 14 17 o 1.98768  0.164547  3.99313      0.654135 3.67109      0.918566 4.32448      0.931749 1.89414  0.242476  2.05882  0.226282  
1 1 1 51 14 18 o 0.838708 0.291761  0.661867     0.600835 0.837566     0.850258 0.48662      0.849161 0.960052 0.345758  0.85831  0.337779  
1 1 1 51 14 19 o 2.4922   0.133592  6.26627      0.665874 6.73283      0.95847  5.83102      0.925759 2.57277  0.186272  2.39269  0.193456  
1 1 1 51 14 20 o 0.799303 0.300819  0.518151     0.653453 0.424581     0.855558 0.649158     1.01235  0.838854 0.336055  0.942552 0.369403  
1 1 1 51 14 21 o 1.89525  0.213267  3.68687      0.808387 4.86847      1.06302  2.06643      1.24486  2.16886  0.245063  1.35807  0.417759  
1 1 1 51 14 22 o 2.18421  0.162213  4.84873      0.708613 4.62757      0.954028 5.12089      1.05833  2.11772  0.225249  2.22376  0.237959  
1 1 1 51 14 23 o 1.13049  0.307405  1.40789      0.71325  1.33859      0.958662 1.4938       1.06746  1.11557  0.369126  1.17211  0.389509  
1 1 1 51 14 24 o 0.917201 0.320736  0.840618     0.726901 1.62324      1.00725  -0.00997627  1.05008  1.20321  0.376929  0.800951 0.349119  
1 1 1 51 14 25 o 0.911566 0.320658  0.831263     0.727464 0.743138     0.990254 0.934578     1.0722   0.942958 0.366209  1.00942  0.383797  
1 1 1 51 14 26 o 1.70668  0.225259  3.04461      0.768889 3.29702      1.05677  2.76068      1.1208   1.71782  0.319528  1.54365  0.367763  
1 1 1 51 14 27 o 3.06753  0.137976  9.60762      0.846495 9.45084      1.16973  9.77999      1.22654  3.01196  0.19418   3.05996  0.200418  
1 1 1 51 14 28 o 1.07695  0.329958  1.34784      0.777634 0.22271      1.07246  2.59519      1.12921  0.825444 0.356206  1.45635  0.382681  
1 1 1 51 14 29 f 0.749049 0.314098  0.297055     0.793587 -0.0120829   1.07809  0.662674     1.17244  0.776126 0.34486   0.923598 0.38419   
1 1 1 51 14 30 o 1.19245  0.321641  1.73794      0.784761 1.30777      1.06237  2.25458      1.16426  1.03574  0.384789  1.29554  0.405122  
1 1 1 51 14 31 o 0.766997 0.31903   0.435445     0.808397 0.764173     1.10681  0.0595644    1.18353  0.898887 0.373557  0.789722 0.35572   
1 1 1 51 14 32 o 2.13951  0.213943  5.10095      0.915463 3.95412      1.24476  6.45206      1.35108  1.69541  0.376976  2.30564  0.292995  
1 1 1 51 14 33 o 1.96113  0.258703  4.57705      1.0147   3.88054      1.37238  5.41697      1.50706  1.57154  0.425996  1.91615  0.405679  
1 1 1 51 14 34 o 0.647671 0.305913  -0.218079    1.05413  0.152603     1.48028  -0.599453    1.50147  0.755242 0.359448  0.693833 0.33782   
1 1 1 51 14 35 o 1.03229  0.391915  2.01855      1.11668  2.71584      1.51987  1.20059      1.64613  1.07425  0.441191  0.849199 0.39604   
1 1 1 51 15 0  o 0.759936 0.37777   0.866193     0.688762 0.866193     0.688762 0.866193     0.688762 0.785589 0.318246  ?        ?         
1 1 1 51 15 1  o 5.77087  0.0704774 33.3374      0.813432 33.5005      1.15758  33.1783      1.14329  5.78196  0.100102  5.75418  0.0993443 
1 1 1 51 15 2  o 5.88834  0.0713709 34.7096      0.840512 34.8282      1.18387  34.5891      1.19351  5.89535  0.100407  5.87493  0.101577  
1 1 1 51 15 3  o 5.06861  0.0725544 25.7195      0.7355   26.5799      1.06041  24.9218      1.02102  5.14983  0.102956  4.98668  0.102374  
1 1 1 51 15 4  o 3.80664  0.0787767 14.51        0.59975  14.1413      0.853366 14.8698      0.843076 3.75529  0.113622  3.85118  0.109457  
1 1 1 51 15 5  o 6.60008  0.0723669 43.6118      0.955253 43.157       1.38285  44.0269      1.32113  6.56133  0.105379  6.62799  0.0996627 
1 1 1 51 15 6  o 3.0284   0.0849361 9.18646      0.514441 8.83978      0.716113 9.55615      0.739509 2.96822  0.12063   3.08622  0.119808  
1 1 1 51 15 7  o 6.13418  0.070843  37.6736      0.869128 36.3643      1.18943  39.1736      1.27309  6.02323  0.0987371 6.2511   0.10183   
1 1 1 51 15 8  o 0.612505 0.240882  0.222849     0.431578 0.427747     0.560665 -0.0751124   0.676104 0.744597 0.278956  0.651037 0.281907  
1 1 1 51 15 9  o 4.67556  0.0737555 21.8931      0.689697 22.2489      1.02363  21.5973      0.933369 4.70941  0.108679  4.64099  0.100557  
1 1 1 51 15 10 o 6.1519   0.0853994 37.9242      1.05074  37.4567      1.50241  38.3718      1.47005  6.1072   0.123004  6.18221  0.118894  
1 1 1 51 15 11 o 6.42742  0.0820015 41.3942      1.05412  42.0982      1.61338  40.8699      1.3924   6.47348  0.124615  6.38175  0.109093  
1 1 1 51 15 12 o 4.62881  0.0806409 21.4695      0.746542 23.3575      1.1384   20.0449      0.988862 4.82238  0.118033  4.46853  0.110647  
1 1 1 51 15 13 o 4.09943  0.0840383 16.8451      0.689018 17.4296      1.0181   16.3511      0.935913 4.16435  0.12224   4.03447  0.11599   
1 1 1 51 15 14 o 3.80196  0.0874208 14.4948      0.664741 14.9788      1.0056   14.1192      0.88591  3.85837  0.130314  3.74806  0.118182  
1 1 1 51 15 15 o 1.60614  0.180033  2.60956      0.578315 2.16727      0.863946 2.96864      0.778442 1.42098  0.312462  1.70702  0.228012  
1 1 1 51 15 16 o 4.04144  0.0969067 16.3926      0.783284 16.3626      1.07444  16.4265      1.14433  4.03122  0.133265  4.03728  0.14172   
1 1 1 51 15 17 o 0.896675 0.3021    0.788384     0.642125 1.673        0.913249 -0.0765697   0.903041 1.24422  0.351504  0.748343 0.324946  
1 1 1 51 15 18 o 1.13612  0.272061  1.38751      0.610937 1.1807       0.868053 1.5905       0.859994 1.06942  0.351248  1.20996  0.340868  
1 1 1 51 15 19 f 0.926357 0.307478  0.866944     0.665189 1.3379       0.90273  0.307432     0.983946 1.12288  0.357557  0.855247 0.353617  
1 1 1 51 15 20 o 1.98876  0.184091  4.03147      0.732225 4.35948      0.987295 3.63051      1.09159  2.0543   0.2403    1.86015  0.293413  
1 1 1 51 15 21 o 2.21435  0.166152  4.98483      0.735837 4.84655      1.0552   5.11573      1.02664  2.16293  0.24393   2.2263   0.230572  
1 1 1 51 15 22 o 0.800108 0.304604  0.513339     0.676091 -0.0815428   0.903693 1.26959      1.01892  0.737655 0.322678  1.10375  0.380329  
1 1 1 51 15 23 o 2.26614  0.1635    5.23762      0.741026 5.05598      1.01167  5.4479       1.08848  2.20593  0.229307  2.2865   0.238023  
1 1 1 51 15 24 o 1.94081  0.193094  3.8743       0.74952  3.72659      1.01837  4.04889      1.10716  1.87824  0.271096  1.95292  0.283461  
1 1 1 51 15 25 o 1.3109   0.287551  1.90473      0.733335 2.51672      0.98854  1.15578      1.09358  1.48804  0.339531  1.06571  0.391298  
1 1 1 51 15 26 o 2.59816  0.15494   6.91193      0.805116 7.74051      1.11254  6.00087      1.16659  2.72652  0.204022  2.37986  0.245097  
1 1 1 51 15 27 o 2.78248  0.15071   7.95012      0.838695 8.98995      1.16596  6.83523      1.20731  2.93064  0.198926  2.53081  0.238523  
1 1 1 51 15 28 o 2.1427   0.185116  4.79616      0.793298 5.1036       1.10295  4.46665      1.14185  2.16928  0.25422   2.01004  0.284037  
1 1 1 51 15 29 o 0.981109 0.334394  1.12127      0.786744 1.88925      1.06977  0.216609     1.16108  1.21718  0.389402  0.831322 0.364686  
1 1 1 51 15 30 o 0.791793 0.323308  0.518225     0.811472 -0.105764    1.09502  1.27831      1.20855  0.74694  0.338973  1.02805  0.403472  
1 1 1 51 15 31 o 0.653444 0.297159  -0.154555    0.851201 -0.648815    1.17923  0.383115     1.22993  0.687361 0.32432   0.838601 0.371018  
1 1 1 51 15 32 o 0.764049 0.328907  0.461218     0.910121 0.191037     1.17553  0.865517     1.43799  0.770368 0.350032  0.904588 0.40057   
1 1 1 51 15 33 o 0.73901  0.325607  0.39651      0.934072 0.479264     1.33579  0.317327     1.30665  0.812853 0.370347  0.787913 0.361683  
1 1 1 51 15 34 o 0.603683 0.288951  -0.4029      0.986332 -1.94044     1.31588  1.56869      1.49008  0.560121 0.280037  0.902839 0.403147  
1 1 1 51 15 35 o 0.808542 0.364486  1.14464      1.24503  1.61888      1.62059  0.461583     1.94493  0.851777 0.395582  0.759439 0.373083  
1 1 1 51 16 0  o 2.68443  0.137716  7.27796      0.734935 7.27796      0.734935 7.27796      0.734935 2.69117  0.0968368 ?        ?         
1 1 1 51 16 1  o 5.51146  0.069263  30.4088      0.763481 30.8526      1.07658  29.9598      1.08289  5.5487   0.0970123 5.46759  0.0990283 
1 1 1 51 16 2  o 6.31466  0.0718106 39.9213      0.906919 39.8226      1.29741  40.0156      1.26824  6.30302  0.10292   6.31864  0.100357  
1 1 1 51 16 3  o 1.78509  0.135313  3.19993      0.483092 3.30284      0.65774  3.0794       0.711856 1.81056  0.18164   1.74655  0.203788  
1 1 1 51 16 4  o 8.24723  0.0782121 68.1142      1.29007  67.9837      1.86357  68.2343      1.78765  8.2329   0.113178  8.24908  0.108355  
1 1 1 51 16 5  o 2.24199  0.103269  5.03945      0.463055 4.96846      0.643144 5.11587      0.667239 2.2234   0.144631  2.25588  0.147889  
1 1 1 51 16 6  o 4.78078  0.0727103 22.8862      0.695224 22.828       0.991059 22.9426      0.975514 4.77143  0.103854  4.78362  0.101964  
1 1 1 51 16 7  o 7.08744  0.0812218 50.3192      1.15131  46.1079      1.64083  54.4033      1.61585  6.77728  0.121054  7.36425  0.109709  
1 1 1 51 16 8  o 2.62687  0.123892  6.92982      0.650894 7.09941      0.959248 6.78511      0.886104 2.65258  0.180814  2.59445  0.170769  
1 1 1 51 16 9  o 6.29321  0.0867578 39.6903      1.09197  39.6421      1.55538  39.7371      1.53342  6.28247  0.123787  6.29041  0.121886  
1 1 1 51 16 10 o 2.33093  0.14756   5.46873      0.687905 5.48819      1.03458  5.45331      0.920987 2.32555  0.222438  2.32162  0.19835   
1 1 1 51 16 11 o 4.37862  0.0951707 19.2269      0.833432 19.9244      1.2069   18.5911      1.15229  4.45072  0.135585  4.29952  0.134003  
1 1 1 51 16 12 o 4.36156  0.0903326 19.0752      0.787981 19.09        1.14683  19.0619      1.08453  4.35644  0.131625  4.35457  0.124527  
1 1 1 51 16 13 o 3.26257  0.096836  10.6804      0.631869 10.3766      0.823341 11.1158      0.985578 3.2117   0.128178  3.32079  0.148395  
1 1 1 51 16 14 o 2.82754  0.101756  8.02462      0.575436 8.19456      0.870185 7.89255      0.767106 2.85064  0.15263   2.79989  0.136989  
1 1 1 51 16 15 o 2.71626  0.1122    7.4134       0.609528 7.61432      0.925648 7.25958      0.809905 2.74454  0.168634  2.68271  0.150949  
1 1 1 51 16 16 o 1.30994  0.246638  1.81132      0.622459 1.03312      0.877084 2.60101      0.883532 1.02729  0.352975  1.5627   0.293502  
1 1 1 51 16 17 o 1.44933  0.214078  2.14357      0.620537 2.04885      0.850591 2.25134      0.907295 1.37539  0.315721  1.4407   0.322917  
1 1 1 51 16 18 o 0.817882 0.300481  0.578515     0.644949 0.196222     0.867415 1.05115      0.964479 0.788676 0.329412  1.04224  0.368955  
1 1 1 51 16 19 o 2.72281  0.130323  7.48262      0.709691 7.85606      0.944014 6.99722      1.07625  2.78095  0.169729  2.61498  0.205784  
1 1 1 51 16 20 o 0.765547 0.303704  0.374379     0.6916   0.195991     0.94656  0.578668     1.01295  0.813606 0.342189  0.922278 0.367024  
1 1 1 51 16 21 o 2.72706  0.133601  7.52045      0.728674 6.4522       1.01363  8.66289      1.04824  2.50774  0.202101  2.91343  0.179897  
1 1 1 51 16 22 o 1.01725  0.309213  1.12071      0.684736 0.491239     0.905209 1.96267      1.0469   0.86298  0.345691  1.31582  0.37784   
1 1 1 51 16 23 o 1.99797  0.182836  4.09277      0.730602 5.44792      1.00529  2.57576      1.06363  2.29277  0.21923   1.50652  0.357844  
1 1 1 51 16 24 o 2.17998  0.170886  4.86493      0.745053 4.29122      1.0237   5.51111      1.08643  2.01959  0.253441  2.29604  0.236587  
1 1 1 51 16 25 o 0.646114 0.285817  -0.135388    0.729558 0.688729     0.989474 -1.11712     1.07996  0.92426  0.364338  0.646396 0.307348  
1 1 1 51 16 26 o 1.20051  0.308829  1.64824      0.745615 1.53366      1.01969  1.77989      1.09304  1.14894  0.380694  1.22334  0.393841  
1 1 1 51 16 27 o 0.508613 0.245841  -1.0611      0.760988 -1.32883     1.0318   -0.74176     1.12687  0.594592 0.287203  0.695524 0.325567  
1 1 1 51 16 28 o 1.25662  0.305325  1.84559      0.760878 1.69008      1.05181  2.01631      1.10204  1.17113  0.386642  1.266    0.3938    
1 1 1 51 16 29 o 0.746496 0.311529  0.347657     0.77477  -0.235577    1.05226  1.0382       1.14498  0.721755 0.328804  0.980469 0.390202  
1 1 1 51 16 30 o 0.920559 0.340111  0.983668     0.827688 1.0467       1.09534  0.899766     1.26369  0.96165  0.381983  0.949811 0.397214  
1 1 1 51 16 31 o 0.594139 0.280124  -0.568283    0.876564 -1.15499     1.19624  0.112052     1.28816  0.632594 0.306193  0.797045 0.363289  
1 1 1 51 16 32 o 1.01334  0.369536  1.48021      0.973881 2.90364      1.27291  -0.529229    1.5124   1.347    0.424081  0.749103 0.358375  
1 1 1 51 16 33 o 0.574608 0.277764  -0.731834    0.972256 -0.0977329   1.43224  -1.27377     1.32407  0.734584 0.350786  0.617285 0.30404   
1 1 1 51 16 34 o 0.868841 0.365537  1.22687      1.08071  1.45509      1.45216  0.943569     1.61797  0.893722 0.39856   0.832109 0.38961   
1 1 1 51 16 35 o 0.924958 0.399102  2.22439      1.34601  3.17631      2.03239  1.48064      1.79647  0.905555 0.426831  0.787348 0.380009  
1 1 1 51 17 0  o 1.25616  0.327897  1.88114      0.710321 1.88114      0.710321 1.88114      0.710321 1.32389  0.204248  ?        ?         
1 1 1 51 17 1  o 5.30086  0.0719624 28.1345      0.762925 27.2822      1.04698  29.0994      1.11402  5.21687  0.100345  5.38739  0.103391  
1 1 1 51 17 2  o 2.61979  0.103526  6.88135      0.542431 7.00808      0.745726 6.73897      0.790454 2.64083  0.141192  2.58856  0.152682  
1 1 1 51 17 3  o 3.11086  0.0826244 9.694        0.514067 9.32174      0.699293 10.1317      0.758285 3.04815  0.114708  3.1774   0.119325  
1 1 1 51 17 4  f 0.45763  0.210461  -0.336432    0.444712 -0.175684    0.603287 -0.527729    0.658118 0.590026 0.260597  0.549901 0.254116  
1 1 1 51 17 5  f 5.14429  0.074582  26.5028      0.767342 26.5686      1.14508  26.4491      1.0338   5.14608  0.111258  5.13601  0.100642  
1 1 1 51 17 6  o 1.68191  0.126316  2.84127      0.424903 3.45705      0.554288 1.96377      0.661683 1.85366  0.149512  1.36884  0.251063  
1 1 1 51 17 7  o 8.47674  0.0908645 72.0235      1.54047  71.2885      2.13199  72.8265      2.2283   8.42428  0.126539  8.51334  0.130871  
1 1 1 51 17 8  o 5.56702  0.0865121 31.0597      0.963228 28.9516      1.33342  33.3602      1.39294  5.36862  0.124187  5.76357  0.12084   
1 1 1 51 17 9  o 4.73375  0.0869345 22.4599      0.823052 22.2434      1.15847  22.6806      1.16955  4.70544  0.123099  4.75146  0.123073  
1 1 1 51 17 10 o 1.04385  0.287201  1.15369      0.618099 0.60652      0.903602 1.63485      0.847354 0.912213 0.350736  1.23552  0.334656  
1 1 1 51 17 11 o 1.72648  0.177297  3.01242      0.612198 3.26628      0.897895 2.79188      0.83688  1.78813  0.251071  1.65289  0.253157  
1 1 1 51 17 12 o 3.47562  0.107032  12.1299      0.744005 11.7858      1.07417  12.4473      1.03149  3.41775  0.157146  3.51436  0.146754  
1 1 1 51 17 13 o 3.00693  0.119219  9.08762      0.716968 9.37951      1.07213  8.85149      0.964309 3.04559  0.176014  2.96099  0.162836  
1 1 1 51 17 14 o 1.89578  0.186846  3.64128      0.708437 3.01392      1.1063   4.07737      0.922363 1.67159  0.342707  1.9992   0.230683  
1 1 1 51 17 15 o 3.10371  0.100264  9.67159      0.622382 9.67134      0.936518 9.67179      0.832924 3.09574  0.151259  3.09878  0.134396  
1 1 1 51 17 16 o 3.39141  0.102831  11.5538      0.697487 11.8181      0.970965 11.272       1.00259  3.42293  0.141833  3.3412   0.150034  
1 1 1 51 17 17 o 0.601952 0.266415  -0.173868    0.634944 0.636306     0.853911 -1.17576     0.949583 0.896856 0.342066  0.597173 0.285278  
1 1 1 51 17 18 o 2.20149  0.160457  4.91243      0.706488 6.26132      0.962432 3.33625      1.04036  2.47765  0.194223  1.7869   0.291109  
1 1 1 51 17 19 o 1.69607  0.192613  2.93832      0.653369 2.49875      0.909313 3.40749      0.939429 1.51446  0.310893  1.81097  0.259371  
1 1 1 51 17 20 o 1.03192  0.305858  1.14767      0.675657 0.433699     0.915762 2.00067      1.00096  0.856239 0.34574   1.33727  0.364402  
1 1 1 51 17 21 o 1.11894  0.295303  1.37241      0.670572 2.1879       0.931397 0.494804     0.966226 1.40106  0.336181  0.883777 0.355849  
1 1 1 51 17 22 o 2.03171  0.177869  4.22546      0.722755 4.42473      0.977835 3.98549      1.07305  2.06071  0.237257  1.94188  0.276292  
1 1 1 51 17 23 o 1.29125  0.285539  1.83297      0.717749 1.87148      0.982563 1.78892      1.05099  1.2829   0.365297  1.25487  0.383413  
1 1 1 51 17 24 o 1.60228  0.230728  2.68706      0.739383 2.76391      1.00727  2.59727      1.08877  1.56426  0.332012  1.49909  0.365856  
1 1 1 51 17 25 o 1.67405  0.221361  2.93937      0.741137 2.59865      1.00082  3.35309      1.10284  1.50314  0.340715  1.71786  0.332875  
1 1 1 51 17 26 o 2.24536  0.175906  5.22523      0.789944 6.34449      1.08077  3.94147      1.15747  2.44972  0.22059   1.88352  0.307261  
1 1 1 51 17 27 o 1.85994  0.20803   3.65263      0.773844 4.35177      1.05911  2.85194      1.13343  1.99709  0.265163  1.53005  0.373203  
1 1 1 51 17 28 o 2.07032  0.193985  4.5321       0.803224 5.82142      1.09001  3.00004      1.18819  2.31721  0.235199  1.5392   0.386263  
1 1 1 51 17 29 f 1.71759  0.237551  3.25439      0.816029 4.30102      1.07368  1.82294      1.25564  1.94274  0.276331  1.16073  0.419962  
1 1 1 51 17 30 o 0.84339  0.330262  0.74804      0.808836 1.83432      1.09144  -0.575293    1.20466  1.15582  0.393859  0.706435 0.331734  
1 1 1 51 17 31 o 1.00526  0.355413  1.39103      0.894723 -0.73644     1.13556  4.87417      1.45299  0.650076 0.310888  1.83748  0.40621   
1 1 1 51 17 32 o 1.10011  0.365308  1.78174      0.938938 1.51645      1.35791  2.02479      1.29972  0.99211  0.413124  1.10096  0.421403  
1 1 1 51 17 33 o 0.625265 0.298445  -0.350359    1.03365  -0.270192    1.3854   -0.451021    1.55242  0.699267 0.336564  0.708431 0.344542  
1 1 1 51 17 34 o 1.06254  0.409318  2.32045      1.23189  2.47133      2.04691  2.23476      1.54252  0.949497 0.442356  0.978742 0.424836  
1 1 1 51 18 0  f 5.1165   0.10722   26.2532      1.0961   26.2532      1.0961   26.2532      1.0961   5.12017  0.0757243 ?        ?         
1 1 1 51 18 1  o 1.64043  0.166221  2.71097      0.545349 2.14881      0.715382 3.49089      0.842627 1.4318   0.259351  1.85571  0.227037  
1 1 1 51 18 2  o 3.38998  0.0871337 11.5156      0.590762 11.0977      0.789403 12.0477      0.89066  3.32502  0.118706  3.46328  0.128586  
1 1 1 51 18 3  o 3.76916  0.0774776 14.23        0.58405  14.2931      0.836495 14.17        0.815837 3.7743   0.110815  3.75827  0.108539  
1 1 1 51 18 4  o 2.11079  0.110438  4.47064      0.466221 4.45647      0.621646 4.48885      0.704834 2.10468  0.147682  2.11054  0.166979  
1 1 1 51 18 5  o 3.88757  0.0774363 15.1391      0.602078 15.6786      0.884601 14.6734      0.821798 3.95262  0.111901  3.82435  0.107443  
1 1 1 51 18 6  o 2.96364  0.108425  8.81336      0.642667 8.66952      0.945261 8.937        0.87638  2.93337  0.161122  2.98014  0.147037  
1 1 1 51 18 7  o 1.00003  0.279877  1.05346      0.581642 1.5678       0.836155 0.571259     0.809617 1.21256  0.334227  0.874695 0.333233  
1 1 1 51 18 8  o 1.72514  0.179922  3.00609      0.62078  2.52489      0.895126 3.45199      0.861662 1.54283  0.300826  1.84225  0.233861  
1 1 1 51 18 9  o 3.08681  0.107771  9.56426      0.665338 10.2184      0.949636 8.93358      0.93246  3.18501  0.149079  2.97693  0.156614  
1 1 1 51 18 10 f 3.18148  0.106274  10.1612      0.67622  9.93386      0.981837 10.3663      0.932694 3.1385   0.156418  3.20792  0.145374  
1 1 1 51 18 11 o 0.766075 0.291395  0.438122     0.618286 -0.655758    0.91943  1.34115      0.835379 0.65635  0.302173  1.12767  0.341291  
1 1 1 51 18 12 o 3.98413  0.100666  15.9309      0.802137 13.504       1.13603  18.3438      1.13277  3.65888  0.155242  4.26941  0.132661  
1 1 1 51 18 13 o 2.59937  0.134169  6.80249      0.697508 6.12818      0.992673 7.46009      0.980293 2.45662  0.202041  2.71463  0.180558  
1 1 1 51 18 14 o 2.84037  0.135609  8.12667      0.770356 9.14048      1.11259  7.19305      1.06769  3.00283  0.185257  2.6607   0.20064   
1 1 1 51 18 15 o 3.60608  0.119138  13.0808      0.859245 14.2084      1.2289   12.0023      1.20187  3.74825  0.163929  3.44241  0.174568  
1 1 1 51 18 16 o 1.77984  0.169427  3.21304      0.603106 3.29314      0.930865 3.15509      0.791761 1.78501  0.260745  1.75436  0.225655  
1 1 1 51 18 17 o 2.19392  0.147196  4.86688      0.645872 6.06828      1.02928  4.08656      0.829512 2.43555  0.211303  1.9995   0.20743   
1 1 1 51 18 18 o 2.15286  0.149713  4.69404      0.644621 4.23273      0.879524 5.22944      0.947533 2.03026  0.216604  2.25851  0.20977   
1 1 1 51 18 19 o 2.29089  0.155466  5.32423      0.712312 4.48332      0.97572  6.2838       1.0423   2.0833   0.234177  2.47394  0.210655  
1 1 1 51 18 20 o 2.43965  0.142417  6.0299       0.694896 5.27821      0.967524 6.83079      0.998679 2.26406  0.21367   2.58236  0.193366  
1 1 1 51 18 21 o 0.628883 0.276092  -0.0996777   0.666523 -0.78567     0.909595 0.6958       0.979495 0.622128 0.291441  0.933556 0.363873  
1 1 1 51 18 22 o 1.04504  0.312889  1.19591      0.704668 0.385534     0.937607 2.24779      1.06822  0.844609 0.346642  1.40087  0.374094  
1 1 1 51 18 23 o 1.35033  0.273073  1.99463      0.711692 1.95441      0.947151 2.0468       1.07858  1.30826  0.353571  1.33021  0.384018  
1 1 1 51 18 24 o 1.59703  0.235002  2.67737      0.750611 2.14749      0.991757 3.38791      1.14845  1.36304  0.358852  1.72757  0.344593  
1 1 1 51 18 25 o 1.33168  0.289548  1.99797      0.749629 1.61748      1.01429  2.45597      1.11282  1.1742   0.379524  1.42973  0.381834  
1 1 1 51 18 26 o 2.00099  0.195014  4.1921       0.780445 4.03664      1.0713   4.36792      1.13927  1.91903  0.279125  1.99188  0.285978  
1 1 1 51 18 27 o 1.13007  0.318307  1.50613      0.749981 2.41259      1.02051  0.44163      1.1059   1.40537  0.361166  0.867787 0.367654  
1 1 1 51 18 28 o 1.8273   0.225537  3.61953      0.824247 4.00419      1.05717  3.0232       1.3163   1.88118  0.280986  1.4973   0.421678  
1 1 1 51 18 29 o 1.81673  0.230247  3.63278      0.836596 2.80935      1.06356  4.96912      1.35489  1.47888  0.362012  2.02549  0.33446   
1 1 1 51 18 30 o 0.809681 0.331904  0.631167     0.858535 1.39755      1.15468  -0.316327    1.28388  1.01687  0.395335  0.745541 0.348496  
1 1 1 51 18 31 o 0.699219 0.314663  0.107696     0.923955 0.713812     1.25383  -0.612583    1.36681  0.859973 0.378102  0.713698 0.341258  
1 1 1 51 18 32 o 1.02322  0.365689  1.6503       0.949497 1.58119      1.3548   1.71701      1.33109  0.963639 0.40753   0.990575 0.410536  
1 1 1 51 18 33 o 0.79794  0.353803  0.863113     1.12672  0.341276     1.63802  1.33175      1.55227  0.771814 0.370133  0.869229 0.397001  
1 1 1 51 18 34 o 0.765177 0.356418  0.947909     1.32806  -0.659189    1.98138  2.25889      1.78955  0.684011 0.342005  0.878075 0.410834  
1 1 1 51 19 0  o 0.400181 0.277975  -0.511528    0.73079  -0.511528    0.73079  -0.511528    0.73079  0.314202 0.221768  ?        ?         
1 1 1 51 19 1  o 2.77381  0.106887  7.71925      0.59297  7.5867       0.802057 7.87904      0.880607 2.74606  0.146038  2.7971   0.157414  
1 1 1 51 19 2  o 6.32329  0.0751668 40.0493      0.950602 40.2752      1.3563   39.8312      1.33272  6.33586  0.107033  6.30108  0.105753  
1 1 1 51 19 3  o 4.29752  0.0774947 18.5011      0.666071 19.4498      0.934886 17.5232      0.94921  4.40299  0.106165  4.17824  0.11359   
1 1 1 51 19 4  o 7.37912  0.0785669 54.5512      1.15951  55.1873      1.60837  53.8629      1.67313  7.41595  0.10844   7.32504  0.114206  
1 1 1 51 19 5  o 3.67737  0.0768137 13.5472      0.564944 13.4008      0.789112 13.7011      0.809167 3.65427  0.107971  3.69481  0.109501  
1 1 1 51 19 6  o 4.67541  0.0844422 21.9078      0.789603 22.8561      1.14743  21.0548      1.08825  4.77005  0.120274  4.57847  0.118845  
1 1 1 51 19 7  o 2.34189  0.132327  5.51516      0.619789 6.52338      0.904056 4.62109      0.851344 2.54109  0.177887  2.13597  0.199288  
1 1 1 51 19 8  o 3.71737  0.0933356 13.8591      0.693925 13.9487      0.984816 13.7707      0.977938 3.72379  0.132233  3.69998  0.132155  
1 1 1 51 19 9  f 2.313    0.134323  5.38407      0.621378 4.93187      0.907399 5.78337      0.852674 2.20424  0.20583   2.39139  0.17828   
1 1 1 51 19 10 o 4.55356  0.0871908 20.7916      0.794056 18.9938      1.12656  22.5667      1.1194   4.34497  0.12964   4.73847  0.118118  
1 1 1 51 19 11 o 3.20013  0.111305  10.2862      0.712383 8.78129      1.02169  11.71        0.993813 2.94738  0.173322  3.40894  0.145766  
1 1 1 51 19 12 o 3.0153   0.122527  9.14373      0.73891  9.00143      1.0488   9.28398      1.04119  2.98275  0.175811  3.03     0.171814  
1 1 1 51 19 13 o 0.943482 0.322492  0.865321     0.731739 0.794098     1.01152  0.94351      1.05984  0.988366 0.373659  1.03959  0.384709  
1 1 1 51 19 14 o 0.910386 0.325061  0.75767      0.750085 0.261704     1.0519   1.27075      1.06989  0.873425 0.363649  1.1304   0.389706  
1 1 1 51 19 15 o 1.81206  0.211833  3.35617      0.767711 3.62308      1.09046  3.09387      1.08102  1.86487  0.292369  1.68877  0.331887  
1 1 1 51 19 16 o 1.63357  0.21494   2.73123      0.702239 1.86847      1.02421  3.49663      0.964691 1.30258  0.373621  1.838    0.262429  
1 1 1 51 19 17 o 2.33565  0.127578  5.50504      0.595954 5.0435       0.90414  5.85962      0.79247  2.21999  0.203636  2.40233  0.164938  
1 1 1 51 19 18 o 3.52128  0.116602  12.4989      0.82118  11.1948      1.18578  13.7006      1.13832  3.31471  0.178867  3.67551  0.154852  
1 1 1 51 19 19 o 2.13844  0.175552  4.66158      0.750815 4.2821       1.06237  5.04025      1.06125  2.02553  0.262246  2.20483  0.240665  
1 1 1 51 19 20 f 3.21872  0.118191  10.4606      0.760848 10.3229      1.09456  10.5894      1.05835  3.18042  0.172078  3.22414  0.16413   
1 1 1 51 19 21 o 2.26903  0.153386  5.23959      0.696072 4.89436      0.945288 5.6485       1.02879  2.17404  0.217403  2.33444  0.220351  
1 1 1 51 19 22 o 1.3105   0.275496  1.87795      0.699219 2.03862      0.968078 1.70272      1.01101  1.33923  0.355444  1.22705  0.376282  
1 1 1 51 19 23 o 1.3336   0.280844  1.96272      0.725543 0.777302     1.00304  3.26362      1.05077  0.950109 0.368653  1.71038  0.319044  
1 1 1 51 19 24 o 1.57762  0.247866  2.6445       0.782075 2.19765      1.02248  3.2745       1.21407  1.36714  0.36641   1.67032  0.372955  
1 1 1 51 19 25 o 3.47185  0.125689  12.2793      0.872747 10.7564      1.14088  14.4277      1.35508  3.2205   0.177128  3.72625  0.181828  
1 1 1 51 19 26 o 2.35081  0.164018  5.71849      0.771149 5.14292      1.04829  6.39728      1.13842  2.18779  0.239577  2.44476  0.232828  
1 1 1 51 19 27 o 1.48531  0.269663  2.50193      0.771536 2.73407      0.996349 2.15424      1.21936  1.50564  0.339037  1.28375  0.416245  
1 1 1 51 19 28 o 0.921039 0.335117  0.975863     0.800521 0.686755     1.007    1.47227      1.31953  0.87323  0.358958  1.07838  0.421923  
1 1 1 51 19 29 o 0.994976 0.331791  1.23         0.774544 0.944956     1.01427  1.62878      1.19967  0.92339  0.367327  1.09814  0.408716  
1 1 1 51 19 30 o 0.974998 0.355668  1.27847      0.902222 2.04682      1.21914  0.348154     1.34149  1.1532   0.414151  0.829195 0.375821  
1 1 1 51 19 31 o 0.682411 0.310025  0.0323959    0.921476 -1.16829     1.34123  1.10582      1.26816  0.654335 0.318713  0.919986 0.39188   
1 1 1 51 19 32 o 1.20865  0.370102  2.35865      0.978554 3.48121      1.4722   1.47015      1.30976  1.29641  0.456151  0.918652 0.394996  
1 1 1 51 19 33 o 0.68192  0.324027  -0.0807388   1.19861  -0.660393    1.825    0.358949     1.58947  0.720158 0.354675  0.771624 0.368728  
1 1 1 51 20 0  o 7.45025  0.114059  55.6552      1.69863  55.6552      1.69863  55.6552      1.69863  7.45525  0.0805762 ?        ?         
1 1 1 51 20 1  o 4.57934  0.0812031 21.0126      0.743713 20.9661      1.03408  21.0625      1.0704   4.56994  0.113139  4.57983  0.11686   
1 1 1 51 20 2  o 1.9344   0.139399  3.76428      0.539307 3.05697      0.725797 4.63625      0.805862 1.73676  0.208951  2.14154  0.18815   
1 1 1 51 20 3  o 7.88116  0.0822355 62.2434      1.29622  63.7083      1.94065  61.0634      1.74171  7.96328  0.12185   7.79911  0.111661  
1 1 1 51 20 4  o 3.52746  0.0832593 12.4702      0.587388 12.0297      0.81063  12.9572      0.852321 3.46082  0.117115  3.59155  0.118656  
1 1 1 51 20 5  o 4.51857  0.0902508 20.4712      0.81561  20.0993      1.16043  20.8343      1.14659  4.4709   0.129776  4.55265  0.125925  
1 1 1 51 20 6  o 3.35645  0.103604  11.3062      0.695486 12.2493      0.975344 10.3305      0.991999 3.4884   0.139798  3.20115  0.154944  
1 1 1 51 20 7  o 0.797402 0.293748  0.529555     0.616725 -0.138258    0.850894 1.26864      0.89515  0.716097 0.31318   1.10979  0.356323  
1 1 1 51 20 8  o 2.56363  0.129664  6.61209      0.664819 7.65176      0.949582 5.61253      0.931084 2.75135  0.172567  2.35241  0.1979    
1 1 1 51 20 9  o 3.45742  0.103119  11.9994      0.713053 12.2625      0.999665 11.7269      1.01739  3.48885  0.143266  3.41076  0.149144  
1 1 1 51 20 10 o 2.64735  0.128386  7.05022      0.679767 6.24343      0.955331 7.87763      0.967454 2.48196  0.192455  2.79145  0.173288  
1 1 1 51 20 11 o 1.78606  0.203039  3.2405       0.72528  4.12337      1.0929   2.54567      0.969545 2.0021   0.272938  1.53738  0.325315  
1 1 1 51 20 12 o 2.82808  0.145057  8.06506      0.820464 6.95897      1.21335  8.99688      1.11367  2.60992  0.23245   2.97873  0.186937  
1 1 1 51 20 13 o 2.52991  0.156134  6.46508      0.790009 6.04589      1.09346  6.92282      1.14264  2.43326  0.224691  2.60503  0.219314  
1 1 1 51 20 14 o 1.85118  0.191437  3.48822      0.708769 3.06966      1.08173  3.80309      0.938219 1.6818   0.333455  1.92258  0.244001  
1 1 1 51 20 15 o 1.91903  0.176227  3.74064      0.67637  4.13209      0.969852 3.36999      0.943746 2.00322  0.242073  1.80475  0.261462  
1 1 1 51 20 16 o 1.27445  0.274137  1.75168      0.678708 2.03652      0.967014 1.47513      0.95282  1.3559   0.353138  1.16866  0.366703  
1 1 1 51 20 17 o 3.08891  0.123646  9.62662      0.763863 8.25476      1.06249  11.0943      1.09896  2.8442   0.186782  3.30416  0.166299  
1 1 1 51 20 18 o 1.17149  0.286925  1.4967       0.667835 1.08989      1.09143  1.74016      0.844355 1.06764  0.39102   1.25396  0.331562  
1 1 1 51 20 19 o 2.38373  0.153874  5.77234      0.733587 3.7321       1.06736  7.59887      1.00991  1.88174  0.283612  2.72538  0.185279  
1 1 1 51 20 20 o 0.67025  0.286566  0.0502448    0.682598 -0.0579283   0.963298 0.15934      0.967395 0.761553 0.333141  0.805495 0.342665  
1 1 1 51 20 21 o 3.60831  0.112482  13.1458      0.811741 11.5139      1.13691  14.8429      1.15937  3.35656  0.169357  3.81911  0.151785  
1 1 1 51 20 22 o 2.40521  0.155724  5.90612      0.749095 5.93722      1.06332  5.87548      1.05549  2.38623  0.222803  2.37401  0.222301  
1 1 1 51 20 23 o 1.89557  0.20073   3.72813      0.760996 3.54811      1.07303  3.91031      1.07943  1.81105  0.296244  1.90759  0.282929  
1 1 1 51 20 24 o 1.5799   0.242246  2.66022      0.765451 1.57404      1.02942  4.00341      1.14476  1.15886  0.382506  1.90645  0.300234  
1 1 1 51 20 25 o 3.71863  0.123334  14.0893      0.91727  14.0788      1.2141   14.1032      1.40013  3.69074  0.164479  3.67358  0.190567  
1 1 1 51 20 26 o 1.67068  0.229706  2.99668      0.767532 3.40157      1.01638  2.45937      1.17085  1.71742  0.306979  1.39184  0.399553  
1 1 1 51 20 27 o 0.585392 0.272175  -0.464112    0.769953 -0.168826    0.982445 -0.934219    1.23961  0.710779 0.321912  0.693267 0.329468  
1 1 1 51 20 28 o 1.62871  0.24326   2.94992      0.792399 3.43511      1.02064  2.21368      1.25724  1.68887  0.313905  1.25677  0.422718  
1 1 1 51 20 29 o 0.741178 0.31646   0.355592     0.830451 -0.88991     1.09756  2.0235       1.27011  0.633077 0.30345   1.16557  0.42231   
1 1 1 51 20 30 o 0.710189 0.315197  0.202812     0.897116 1.02117      1.29764  -0.546431    1.24164  0.915911 0.393468  0.692551 0.329417  
1 1 1 51 20 31 o 0.718252 0.319588  0.310872     0.92901  0.943942     1.39621  -0.192081    1.24448  0.876107 0.390752  0.711607 0.335     
1 1 1 51 20 32 o 0.952636 0.372013  1.59542      1.02481  0.834807     1.64821  2.0748       1.30849  0.817759 0.385135  1.00718  0.410785  
1 1 1 51 20 33 o 0.606469 0.296484  -0.686258    1.19682  0.0757993    1.86194  -1.22279     1.56232  0.738507 0.363519  0.630303 0.313699  
1 1 1 51 21 0  o 1.03608  0.404951  1.4994       0.798454 1.4994       0.798454 1.4994       0.798454 1.12155  0.29187   ?        ?         
1 1 1 51 21 1  f 4.10444  0.0807498 16.8823      0.662865 16.4283      0.897922 17.4261      0.982664 4.04493  0.110993  4.16485  0.117971  
1 1 1 51 21 2  o 2.50612  0.105585  6.30376      0.52922  6.29484      0.730379 6.31362      0.767888 2.50005  0.146073  2.50286  0.153402  
1 1 1 51 21 3  o 4.44115  0.0732269 19.7593      0.650424 19.4513      0.945706 20.0358      0.895984 4.40175  0.107424  4.46852  0.100255  
1 1 1 51 21 4  o 2.23314  0.103992  5.0054       0.464457 5.49004      0.657962 4.52405      0.655725 2.33507  0.140887  2.11821  0.154783  
1 1 1 51 21 5  o 2.26455  0.141754  5.16458      0.642017 6.66965      0.993455 4.08525      0.841295 2.56552  0.193617  2.00557  0.209739  
1 1 1 51 21 6  o 3.33587  0.109627  11.1763      0.731405 10.3438      1.05436  11.9486      1.01546  3.20045  0.164721  3.44311  0.147462  
1 1 1 51 21 7  o 5.97124  0.0864545 35.7515      1.03248  36.8726      1.49073  34.7179      1.43137  6.05569  0.123085  5.87643  0.121789  
1 1 1 51 21 8  o 1.43327  0.224618  2.0913       0.643876 2.59972      0.933836 1.63055      0.888975 1.56053  0.310223  1.23212  0.346388  
1 1 1 51 21 9  o 3.36734  0.107731  11.3878      0.725535 11.5059      1.07561  11.2892      0.982785 3.37606  0.159299  3.34649  0.146838  
1 1 1 51 21 10 o 0.71068  0.288778  0.229378     0.644231 0.743775     0.965515 -0.183418    0.864922 0.963364 0.364811  0.711975 0.313529  
1 1 1 51 21 11 o 1.29563  0.275041  1.79173      0.691151 0.540579     1.09684  2.61566      0.890096 0.949694 0.380485  1.56681  0.294871  
1 1 1 51 21 12 o 1.15664  0.306981  1.44045      0.722092 1.94913      1.10384  1.05994      0.9547   1.33687  0.389317  1.048    0.367469  
1 1 1 51 21 13 o 2.01474  0.173892  4.11966      0.700693 3.09955      1.00312  5.09165      0.979175 1.69882  0.30644   2.23034  0.219512  
1 1 1 51 21 14 o 3.12945  0.125871  9.87209      0.787811 10.732       1.09355  8.94424      1.13593  3.25278  0.168094  2.96325  0.191669  
1 1 1 51 21 15 o 1.72648  0.195159  3.04274      0.673875 2.50749      0.972344 3.53743      0.934774 1.51221  0.330601  1.84869  0.252821  
1 1 1 51 21 16 o 2.29689  0.152716  5.34719      0.701544 4.38798      0.956287 6.46504      1.03234  2.06272  0.231803  2.51194  0.205486  
1 1 1 51 21 17 o 0.724385 0.300479  0.195511     0.71405  0.582267     0.992614 -0.219273    1.02795  0.915734 0.363666  0.762578 0.338055  
1 1 1 51 21 18 o 2.6173   0.119518  6.91455      0.62563  6.80117      1.0386   6.97911      0.78379  2.57357  0.201782  2.62255  0.149433  
1 1 1 51 21 19 o 0.647891 0.277019  0.0401148    0.637929 -0.330088    0.983986 0.30853      0.837863 0.721708 0.324757  0.794822 0.327195  
1 1 1 51 21 20 o 1.6612   0.215423  2.85677      0.715721 3.87183      1.04723  1.96708      0.980433 1.91403  0.273567  1.31557  0.361605  
1 1 1 51 21 21 o 1.29424  0.275681  1.83793      0.692376 2.03165      1.00895  1.66551      0.95188  1.33079  0.367283  1.21234  0.363791  
1 1 1 51 21 22 o 0.958561 0.318634  0.979416     0.714335 1.70577      1.03218  0.31175      0.989606 1.21888  0.381512  0.837774 0.351002  
1 1 1 51 21 23 o 0.752337 0.306188  0.343565     0.725401 1.87924      1.03719  -1.12683     1.01491  1.26023  0.380063  0.615218 0.294144  
1 1 1 51 21 24 o 1.00417  0.328762  1.13975      0.760466 1.36223      1.04293  0.887176     1.11124  1.09072  0.383914  0.976703 0.385759  
1 1 1 51 21 25 o 2.11157  0.187269  4.6633       0.790865 5.16622      1.0485   3.9995       1.20458  2.19208  0.239156  1.84759  0.33861   
1 1 1 51 21 26 o 0.84914  0.32983   0.688516     0.803352 0.311548     1.05118  1.21785      1.24564  0.821173 0.353488  1.04391  0.409632  
1 1 1 51 21 27 o 0.556709 0.262918  -0.658308    0.778433 -0.322938    1.01067  -1.1474      1.22052  0.690639 0.317476  0.659996 0.317232  
1 1 1 51 21 28 o 0.750779 0.315651  0.37845      0.804954 0.0802804    1.07319  0.761943     1.21709  0.763374 0.341469  0.911497 0.38591   
1 1 1 51 21 29 o 0.959996 0.362048  1.22521      0.947706 0.217917     1.37525  2.13613      1.30781  0.819176 0.373948  1.1641   0.427865  
1 1 1 51 21 30 o 0.787241 0.334025  0.594613     0.915059 1.56208      1.35082  -0.225835    1.24395  1.00786  0.415265  0.723938 0.339437  
1 1 1 51 21 31 o 0.67847  0.311902  0.115274     0.975668 0.589985     1.46931  -0.259132    1.30488  0.805585 0.375106  0.695936 0.332926  
1 1 1 51 21 32 o 1.06435  0.398628  2.12486      1.14473  1.55499      1.72436  2.5739       1.53068  0.899824 0.414077  1.06427  0.440606  
1 1 1 51 21 33 o 0.508403 0.258739  -2.69208     1.37655  -1.46167     2.0621   -3.68111     1.8488   0.643914 0.325547  ?        ?         
1 1 1 51 22 0  o 3.35121  0.138206  11.3259      0.922736 11.3259      0.922736 11.3259      0.922736 3.35833  0.0973275 ?        ?         
1 1 1 51 22 1  o 5.50523  0.0720015 30.364       0.79277  30.3836      1.15785  30.3467      1.08772  5.50115  0.105237  5.49909  0.0989004 
1 1 1 51 22 2  o 1.65374  0.153546  2.75815      0.50785  2.04841      0.68977  3.59834      0.75048  1.39372  0.257111  1.8834   0.199236  
1 1 1 51 22 3  o 5.383    0.0732012 29.0327      0.788083 29.0118      1.14767  29.0513      1.08408  5.37516  0.106757  5.38002  0.100751  
1 1 1 51 22 4  f 0.755617 0.291126  0.401767     0.62323  -0.987208    0.896842 1.69892      0.866691 0.599612 0.282892  1.25584  0.33769   
1 1 1 51 22 5  o 3.6891   0.0968779 13.6553      0.714785 15.1558      1.0897   12.5221      0.946981 3.87923  0.140453  3.52718  0.13424   
1 1 1 51 22 6  o 2.14919  0.143977  4.65324      0.618867 6.06102      0.946767 3.60298      0.817758 2.44542  0.193579  1.88218  0.217237  
1 1 1 51 22 7  o 3.19416  0.10629   10.2451      0.679013 10.3949      0.996458 10.1152      0.927757 3.2098   0.155221  3.16787  0.146432  
1 1 1 51 22 8  o 1.52807  0.202097  2.37164      0.617638 1.5307       0.897137 3.12935      0.851585 1.19659  0.351786  1.74914  0.243429  
1 1 1 51 22 9  o 2.48182  0.132525  6.20235      0.657808 6.05672      0.964114 6.32919      0.899778 2.44219  0.197387  2.49974  0.179974  
1 1 1 51 22 10 o 2.6974   0.130532  7.3258       0.704193 7.97101      1.07148  6.83522      0.934311 2.80259  0.191159  2.59743  0.179853  
1 1 1 51 22 11 o 1.72865  0.201641  3.04137      0.697133 2.43068      1.03982  3.53998      0.939572 1.49052  0.353672  1.85553  0.253182  
1 1 1 51 22 12 o 5.36597  0.0962227 28.9262      1.03266  28.4336      1.48445  29.3881      1.43748  5.30677  0.139864  5.39752  0.133161  
1 1 1 51 22 13 o 3.77492  0.11648   14.3482      0.879404 14.4355      1.24146  14.2602      1.24588  3.77358  0.164494  3.7501   0.166113  
1 1 1 51 22 14 o 1.31135  0.264646  1.84315      0.66977  2.34082      0.998209 1.43563      0.903285 1.45541  0.347278  1.15283  0.356109  
1 1 1 51 22 15 o 2.01763  0.173578  4.14194      0.700435 4.88509      1.02516  3.49128      0.95925  2.17541  0.235625  1.83237  0.261751  
1 1 1 51 22 16 o 0.80745  0.306355  0.52459      0.681967 0.682318     0.924523 0.336334     1.01003  0.92233  0.354743  0.864661 0.357938  
1 1 1 51 22 17 o 3.6297   0.121155  13.3         0.879514 13.8368      1.1681   12.5973      1.33648  3.68977  0.158288  3.50801  0.19049   
1 1 1 51 22 18 o 2.08253  0.182202  4.43981      0.758886 4.18632      1.05025  4.71677      1.09778  1.99743  0.2629    2.12179  0.258693  
1 1 1 51 22 19 o 1.39365  0.221378  2.01408      0.617049 1.59918      0.95969  2.30648      0.805659 1.19448  0.366672  1.45263  0.287538  
1 1 1 51 22 20 o 3.42763  0.119463  11.8787      0.818953 9.63695      1.16085  14.0999      1.15551  3.06192  0.189563  3.7203   0.155298  
1 1 1 51 22 21 o 1.13828  0.30069   1.44834      0.694852 1.77817      0.993427 1.13241      0.972252 1.24373  0.371329  1.04171  0.37027   
1 1 1 51 22 22 o 1.42062  0.263016  2.21108      0.719193 1.94077      1.03799  2.46067      0.99741  1.28561  0.378535  1.45953  0.346426  
1 1 1 51 22 23 o 2.7146   0.154149  7.57068      0.836904 7.7251       1.13908  7.38954      1.23369  2.71122  0.210069  2.63635  0.233977  
1 1 1 51 22 24 o 0.905216 0.324645  0.860455     0.748899 0.818746     1.02415  0.908387     1.0979   0.940856 0.370735  0.975347 0.384001  
1 1 1 51 22 25 o 1.13494  0.326682  1.53367      0.781675 2.92911      1.01521  -0.498153    1.22502  1.57037  0.333325  0.7504   0.346743  
1 1 1 51 22 26 o 1.09936  0.335641  1.48257      0.805608 0.524417     1.06793  2.74785      1.22721  0.858132 0.362311  1.43552  0.408087  
1 1 1 51 22 27 o 0.789583 0.323242  0.515689     0.813244 -0.0907626   1.1271   1.1743       1.17457  0.756012 0.343306  0.999099 0.395967  
1 1 1 51 22 28 o 0.7301   0.319921  0.225203     0.891461 1.1998       1.27302  -0.712606    1.24876  0.980749 0.403449  0.694392 0.330324  
1 1 1 51 22 29 o 0.859465 0.349382  0.878468     0.943406 1.47038      1.44702  0.44087      1.24419  0.998956 0.421754  0.817147 0.36654   
1 1 1 51 22 30 o 1.60391  0.314893  3.40311      0.974117 3.95466      1.535    3.03121      1.26044  1.47205  0.466     1.34858  0.421487  
1 1 1 51 22 31 o 1.56165  0.339061  3.58673      1.0293   2.88803      1.46612  4.26583      1.44541  1.13805  0.44485   1.48008  0.449125  
1 1 1 51 22 32 o 1.2042   0.414023  2.87967      1.20688  2.18492      1.60111  3.79378      1.83657  0.953748 0.422466  1.13803  0.477547  
1 1 1 51 23 0  o 2.85032  0.16268   8.24136      0.920468 8.24136      0.920468 8.24136      0.920468 2.86062  0.114177  ?        ?         
1 1 1 51 23 1  o 3.57988  0.0867916 12.8501      0.621407 12.8063      0.883455 12.893       0.874223 3.56872  0.123777  3.58105  0.122062  
1 1 1 51 23 2  o 2.18835  0.118712  4.813        0.519567 5.85837      0.720609 3.68116      0.749819 2.4107   0.149461  1.90535  0.196766  
1 1 1 51 23 3  o 2.55871  0.0974209 6.56922      0.498545 6.41695      0.705001 6.72154      0.705096 2.52429  0.139643  2.58392  0.136439  
1 1 1 51 23 4  o 1.51231  0.212897  2.32485      0.643931 3.0569       0.952145 1.70781      0.874156 1.72441  0.276079  1.25865  0.339454  
1 1 1 51 23 5  o 3.06017  0.111508  9.40818      0.682466 9.54298      1.08473  9.31987      0.87802  3.07121  0.176597  3.04095  0.144366  
1 1 1 51 23 6  o 2.79157  0.119589  7.83591      0.667683 7.16035      0.988814 8.40206      0.905208 2.65816  0.185996  2.88493  0.156886  
1 1 1 51 23 7  o 6.05002  0.088358  36.7159      1.06913  37.194       1.56886  36.3013      1.46088  6.07865  0.129047  6.00746  0.121589  
1 1 1 51 23 8  o 1.56579  0.21181   2.49572      0.6633   2.00931      1.01032  2.8642       0.879355 1.35766  0.364386  1.66922  0.263404  
1 1 1 51 23 9  o 3.19737  0.11839   10.2822      0.757072 11.485       1.16481  9.40236      0.996181 3.36807  0.172919  3.04945  0.163338  
1 1 1 51 23 10 o 1.40331  0.256264  2.08736      0.692534 0.612179     1.02877  3.30981      0.936502 0.94266  0.37153   1.79132  0.2614    
1 1 1 51 23 11 o 0.867904 0.304349  0.71388      0.654903 1.00172      0.985875 0.486546     0.87615  1.03282  0.372278  0.863155 0.342019  
1 1 1 51 23 12 o 3.0552   0.127444  9.41146      0.778736 8.57372      1.15387  10.1122      1.05532  2.89895  0.199015  3.15756  0.16711   
1 1 1 51 23 13 o 3.56505  0.115237  12.8025      0.821654 12.3403      1.19607  13.2157      1.13067  3.48461  0.171622  3.61095  0.156562  
1 1 1 51 23 14 o 0.783565 0.306595  0.429106     0.696784 0.805195     1.05204  0.135206     0.930007 0.9881   0.378862  0.794771 0.336957  
1 1 1 51 23 15 o 4.22088  0.111109  17.949       0.937958 19.3765      1.27124  16.2432      1.38959  4.37386  0.145323  3.99368  0.173974  
1 1 1 51 23 16 o 1.59354  0.221295  2.61929      0.705283 2.79608      0.950148 2.40236      1.05253  1.60111  0.307693  1.46193  0.361534  
1 1 1 51 23 17 o 3.69954  0.120145  13.8253      0.888965 12.897       1.19949  14.9565      1.3241   3.55595  0.16866   3.82742  0.172975  
1 1 1 51 23 18 o 1.24137  0.295826  1.70232      0.725059 0.506138     0.985843 3.11172      1.07011  0.887495 0.358575  1.67295  0.331617  
1 1 1 51 23 19 o 2.18904  0.17594   4.90577      0.770278 4.83227      1.05002  4.99141      1.13343  2.14951  0.244246  2.17819  0.260177  
1 1 1 51 23 20 o 2.46666  0.13946   6.18771      0.688    6.44252      1.02824  5.98115      0.925764 2.49253  0.206265  2.40725  0.192287  
1 1 1 51 23 21 o 1.26609  0.28845   1.78583      0.71435  2.77364      1.08061  1.01907      0.952046 1.55117  0.355713  1.00297  0.365407  
1 1 1 51 23 22 o 1.89079  0.214305  3.75566      0.810408 5.31558      1.07238  1.67858      1.23744  2.23575  0.239825  1.19541  0.418435  
1 1 1 51 23 23 o 1.68097  0.229376  3.00819      0.771149 2.99077      1.05212  3.02841      1.13356  1.59768  0.339484  1.59161  0.363873  
1 1 1 51 23 24 o 0.892071 0.326574  0.82583      0.761235 1.48459      1.01413  -0.0243855   1.15212  1.11471  0.379655  0.800274 0.355998  
1 1 1 51 23 25 o 0.730462 0.314243  0.185824     0.829735 0.00395257   1.17037  0.369607     1.1765   0.797913 0.356765  0.860179 0.372163  
1 1 1 51 23 26 o 1.84885  0.229655  3.74926      0.849194 4.36684      1.19234  3.11353      1.20973  1.92743  0.309308  1.53355  0.392709  
1 1 1 51 23 27 o 1.45384  0.298057  2.5455       0.836824 2.2984       1.17562  2.79928      1.19143  1.27912  0.408112  1.42385  0.40124   
1 1 1 51 23 28 o 1.45185  0.321265  2.71323      0.908045 1.75321      1.37719  3.45158      1.20777  1.07095  0.427399  1.56092  0.388053  
1 1 1 51 23 29 o 1.60449  0.305009  3.2871       0.943435 3.64067      1.39783  2.99129      1.27857  1.49598  0.438894  1.36394  0.424151  
1 1 1 51 23 30 o 1.86949  0.276725  4.47537      1.03467  3.87639      1.45489  5.0883       1.47174  1.4179   0.454168  1.73371  0.426754  
1 1 1 51 23 31 o 0.789791 0.349563  0.798274     1.09327  1.32544      1.59816  0.33459      1.49885  0.874037 0.400707  0.763894 0.362678  
1 1 1 51 23 32 o 0.903107 0.389372  2.00952      1.27928  1.20996      1.88725  2.68923      1.74006  0.766303 0.374111  0.904253 0.416049  
1 1 1 51 24 0  o 2.40599  0.204568  5.95785      0.968007 5.95785      0.968007 5.95785      0.968007 2.42384  0.142322  ?        ?         
1 1 1 51 24 1  o 4.65989  0.0822404 21.7705      0.766463 21.6297      1.10255  21.9021      1.06624  4.63828  0.118854  4.66835  0.114199  
1 1 1 51 24 2  o 0.884951 0.266535  0.813349     0.510326 0.880569     0.697016 0.735681     0.749229 0.942469 0.314748  0.90431  0.324677  
1 1 1 51 24 3  o 1.6724   0.133192  2.81624      0.445498 2.69154      0.630128 2.94087      0.629932 1.62875  0.193439  1.70358  0.184885  
1 1 1 51 24 4  o 4.35566  0.0972567 19.0427      0.847233 17.4565      1.26196  20.3443      1.14316  4.15921  0.151707  4.49612  0.127128  
1 1 1 51 24 5  o 3.15592  0.112867  10.0103      0.712396 10.0361      1.13502  9.99348      0.915093 3.14763  0.180298  3.148    0.145345  
1 1 1 51 24 6  o 0.746858 0.290643  0.376633     0.624404 -0.794825    0.935216 1.31883      0.838725 0.641931 0.299042  1.11736  0.342742  
1 1 1 51 24 7  o 2.3095   0.147003  5.38074      0.679006 5.02061      1.00922  5.67859      0.917799 2.21713  0.227595  2.3647   0.194063  
1 1 1 51 24 8  o 1.74302  0.19542   3.08971      0.681243 2.76725      1.0287   3.3416       0.90918  1.59755  0.332909  1.80262  0.252183  
1 1 1 51 24 9  o 2.68842  0.131549  7.2895       0.707318 7.72982      1.07056  6.94838      0.942273 2.75484  0.194305  2.61523  0.180151  
1 1 1 51 24 10 f 3.95043  0.100176  15.6848      0.791474 14.8424      1.14131  16.4652      1.09854  3.8313   0.148946  4.03902  0.135991  
1 1 1 51 24 11 o 1.55723  0.215268  2.48341      0.670444 2.05978      0.985084 2.84896      0.915084 1.36536  0.356805  1.63026  0.291146  
1 1 1 51 24 12 o 1.85129  0.189166  3.49597      0.700401 4.33744      1.03655  2.78899      0.950118 2.04604  0.253307  1.60493  0.306958  
1 1 1 51 24 13 o 4.20921  0.110772  17.8441      0.932528 18.2702      1.35295  17.4584      1.2871   4.24301  0.159433  4.1493   0.155098  
1 1 1 51 24 14 o 1.24417  0.276792  1.6783       0.670734 2.22979      0.963595 1.15993      0.93421  1.41663  0.343222  1.06296  0.36438   
1 1 1 51 24 15 o 0.632756 0.279473  -0.151695    0.693878 0.67002      0.949543 -1.09329     1.01645  0.923813 0.358638  0.631345 0.299235  
1 1 1 51 24 16 o 1.33042  0.275502  1.924        0.708327 2.9823       1.01019  0.900457     0.993468 1.64709  0.31801   0.992845 0.371455  
1 1 1 51 24 17 o 2.3912   0.156499  5.82271      0.748442 5.90279      1.02262  5.73033      1.09835  2.38902  0.214025  2.34626  0.234064  
1 1 1 51 24 18 o 1.41266  0.268344  2.16412      0.730758 2.76208      0.997738 1.47218      1.07329  1.57398  0.32776   1.16018  0.390571  
1 1 1 51 24 19 o 0.793878 0.312885  0.459881     0.729612 1.16058      1.00578  -0.318409    1.06001  1.05699  0.376511  0.747796 0.336751  
1 1 1 51 24 20 o 0.576188 0.256815  -0.176608    0.602203 0.257648     0.98569  -0.435226    0.760671 0.824964 0.348183  0.604271 0.276788  
1 1 1 51 24 21 o 1.1086   0.326169  1.40325      0.770947 1.06379      1.05065  1.79925      1.13477  1.02196  0.382065  1.23284  0.401602  
1 1 1 51 24 22 o 1.49502  0.269424  2.48523      0.776181 2.26231      1.01965  2.7924       1.19691  1.37318  0.364941  1.50995  0.392702  
1 1 1 51 24 23 o 2.97705  0.142384  9.09385      0.847769 8.50127      1.12599  9.86942      1.28816  2.84469  0.197911  3.05517  0.210817  
1 1 1 51 24 24 o 1.42981  0.292508  2.36156      0.807597 3.26776      1.11414  1.35828      1.17231  1.64469  0.349254  1.07644  0.403352  
1 1 1 51 24 25 o 0.802969 0.326128  0.535286     0.821267 -0.282676    1.15155  1.38198      1.1716   0.742462 0.340283  1.05923  0.401644  
1 1 1 51 24 26 o 1.02057  0.35095   1.30237      0.867201 1.83184      1.24004  0.795569     1.21321  1.15571  0.417424  0.923084 0.387778  
1 1 1 51 24 27 o 1.30842  0.33974   2.2413       0.896754 2.39038      1.37301  2.13039      1.18423  1.2367   0.43997   1.20193  0.41026   
1 1 1 51 24 28 o 1.27752  0.343957  2.23724      0.898451 2.74452      1.31779  1.79664      1.22814  1.29422  0.432778  1.07354  0.410003  
1 1 1 51 24 29 o 0.910754 0.352389  1.17758      0.915152 0.982071     1.29361  1.37346      1.29483  0.880838 0.385682  0.948052 0.399547  
1 1 1 51 24 30 o 0.892651 0.362014  1.31692      1.01013  -0.030014    1.42405  2.68098      1.43307  0.722293 0.346077  1.10728  0.437837  
1 1 1 51 24 31 o 0.885866 0.378421  1.446        1.1885   1.70504      1.69861  1.19753      1.66354  0.890504 0.410268  0.837409 0.392621  
1 1 1 51 25 0  o 3.54466  0.153955  12.6945      1.08675  12.6945      1.08675  12.6945      1.08675  3.55382  0.108344  ?        ?         
1 1 1 51 25 1  o 3.75302  0.0914709 14.1322      0.686584 12.9307      0.974531 15.3164      0.96746  3.58263  0.136008  3.90158  0.123983  
1 1 1 51 25 2  o 2.52702  0.111524  6.41763      0.563649 6.04862      0.771811 6.83935      0.825094 2.44715  0.157696  2.60205  0.158547  
1 1 1 51 25 3  o 2.59211  0.104122  6.74829      0.53979  7.11348      0.670844 6.07762      0.909107 2.65854  0.126168  2.44823  0.185667  
1 1 1 51 25 4  f 5.16544  0.0904538 26.7699      0.934468 26.4632      1.29114  27.1073      1.35419  5.12766  0.125899  5.18845  0.130501  
1 1 1 51 25 5  o 2.02004  0.162742  4.1263       0.657489 4.27535      0.985641 4.00681      0.882539 2.04247  0.241287  1.98083  0.22277   
1 1 1 51 25 6  o 3.75591  0.102391  14.1737      0.769143 14.8599      1.14198  13.604       1.04055  3.83566  0.148864  3.67171  0.141698  
1 1 1 51 25 7  o 0.86387  0.303103  0.705347     0.64963  1.28831      0.969935 0.231095     0.874839 1.11595  0.37129   0.800322 0.332324  
1 1 1 51 25 8  o 5.72529  0.0881904 32.9068      1.00983  32.8638      1.47726  32.9445      1.38357  5.70888  0.129382  5.71888  0.120966  
1 1 1 51 25 9  o 3.24267  0.114433  10.5849      0.742137 9.17715      1.06594  11.9093      1.03387  3.00542  0.177337  3.43122  0.150657  
1 1 1 51 25 10 o 1.19569  0.281394  1.54651      0.662482 2.00905      0.9603   1.12647      0.915116 1.34817  0.352276  1.05452  0.360645  
1 1 1 51 25 11 o 3.58857  0.113708  12.9728      0.816099 13.8504      1.14409  12.0635      1.16446  3.69636  0.154758  3.4452   0.168997  
1 1 1 51 25 12 o 0.909029 0.309033  0.825397     0.671935 -0.16562     0.970676 1.73721      0.931081 0.751366 0.331374  1.25305  0.355216  
1 1 1 51 25 13 o 4.73744  0.103912  22.5913      0.98455  23.0336      1.39868  22.1568      1.38614  4.76791  0.146676  4.67563  0.14823   
1 1 1 51 25 14 o 1.27165  0.28899   1.76536      0.718496 3.35245      1.0152   0.172582     1.01702  1.78474  0.284411  0.82997  0.352149  
1 1 1 51 25 15 o 2.64489  0.143259  7.09524      0.757809 6.02111      1.05204  8.2536       1.09251  2.41431  0.217876  2.8366   0.192574  
1 1 1 51 25 16 o 1.14629  0.304188  1.45477      0.709081 2.13495      0.972909 0.684085     1.03561  1.37328  0.35248   0.943537 0.372482  
1 1 1 51 25 17 o 0.901312 0.316316  0.80657      0.70754  0.461475     0.969622 1.1996       1.03478  0.871434 0.354218  1.07755  0.382093  
1 1 1 51 25 18 o 2.02713  0.18622   4.22625      0.754984 3.47657      1.02114  5.13019      1.12129  1.80632  0.282657  2.20736  0.25399   
1 1 1 51 25 19 o 1.01535  0.323205  1.12933      0.73765  1.41306      1.02807  0.828282     1.059    1.12978  0.382255  0.974626 0.378667  
1 1 1 51 25 20 o 1.05006  0.326288  1.24057      0.75683  1.82403      1.05489  0.621684     1.08644  1.24502  0.384885  0.924145 0.375183  
1 1 1 51 25 21 o 2.9553   0.141867  8.93751      0.838522 8.33226      1.1018   9.77059      1.29263  2.8249   0.195016  3.04726  0.212097  
1 1 1 51 25 22 o 1.95465  0.205806  4.02307      0.804558 3.72647      1.11567  4.34446      1.16134  1.799    0.321694  1.98039  0.29321   
1 1 1 51 25 23 o 0.73592  0.312571  0.222974     0.802676 1.02996      1.11102  -0.658146    1.16093  0.995563 0.387639  0.710833 0.331929  
1 1 1 51 25 24 o 1.49251  0.282311  2.56832      0.812026 2.85749      1.13416  2.26419      1.16314  1.4979   0.378271  1.31021  0.403973  
1 1 1 51 25 25 o 1.32783  0.323681  2.17336      0.852981 2.26369      1.21447  2.08542      1.19828  1.27976  0.415456  1.23197  0.412687  
1 1 1 51 25 26 o 0.582201 0.276749  -0.71178     0.875088 -1.73461     1.32769  0.0738548    1.1636   0.632242 0.309841  0.779299 0.351776  
1 1 1 51 25 27 o 0.598901 0.281555  -0.485418    0.873225 -0.651447    1.22927  -0.316295    1.24067  0.684273 0.326336  0.723606 0.339229  
1 1 1 51 25 28 o 0.556142 0.268786  -0.891477    0.908725 -1.39365     1.26662  -0.358839    1.30448  0.618426 0.302953  0.721332 0.340571  
1 1 1 51 25 29 f 0.75342  0.332732  0.566299     0.983182 -0.824737    1.39792  1.92793      1.38306  0.662932 0.323344  1.00031  0.416761  
1 1 1 51 25 30 o 0.913297 0.369346  1.42531      1.04733  1.30075      1.43373  1.56782      1.53362  0.8721   0.392244  0.905269 0.406485  
1 1 1 51 25 31 o 0.6208   0.300193  -0.158618    1.13922  -1.67066     1.68665  1.10992      1.54488  0.59837  0.301783  0.761847 0.363928  
1 1 1 51 26 0  o 2.60542  0.166569  6.91175      0.859832 6.91175      0.859832 6.91175      0.859832 2.61736  0.116674  ?        ?         
1 1 1 51 26 1  o 1.09919  0.256654  1.29109      0.554535 1.27041      0.807561 1.30954      0.762812 1.09519  0.336389  1.10681  0.324062  
1 1 1 51 26 2  o 2.50517  0.10685   6.30817      0.535356 6.03211      0.721663 6.64601      0.798348 2.44404  0.147637  2.564    0.155684  
1 1 1 51 26 3  o 2.64034  0.124234  7.02139      0.656038 5.1832       0.954241 8.66891      0.903399 2.25334  0.211739  2.92818  0.15426   
1 1 1 51 26 4  o 3.98751  0.098891  15.9758      0.788658 15.1294      1.12821  16.7847      1.10289  3.86985  0.145769  4.07895  0.135192  
1 1 1 51 26 5  f 2.87183  0.121948  8.30853      0.70043  9.09607      1.07692  7.73114      0.922114 2.99208  0.179962  2.7615   0.166959  
1 1 1 51 26 6  o 1.8051   0.184189  3.31397      0.664958 3.69228      0.986142 2.99853      0.900472 1.88955  0.260946  1.70204  0.264528  
1 1 1 51 26 7  o 2.90943  0.120829  8.52759      0.703085 9.01707      1.04518  8.12301      0.950217 2.97962  0.175388  2.82987  0.16789   
1 1 1 51 26 8  f 1.52029  0.219594  2.37021      0.667696 2.53063      0.968678 2.225        0.921608 1.5215   0.3277    1.42503  0.32966   
1 1 1 51 26 9  o 3.68028  0.103673  13.6258      0.76309  13.3415      1.07497  13.9146      1.08342  3.63035  0.148054  3.70809  0.146089  
1 1 1 51 26 10 o 1.55532  0.214911  2.48354      0.668512 2.93358      0.979446 2.09102      0.914708 1.64483  0.309107  1.37595  0.33505   
1 1 1 51 26 11 o 3.37561  0.110214  11.4769      0.744079 10.7904      1.06942  12.121       1.03595  3.2589   0.164078  3.45855  0.149766  
1 1 1 51 26 12 o 0.832195 0.307528  0.606027     0.67677  2.48954      0.988334 -1.05685     0.928647 1.49899  0.33776   0.598514 0.284782  
1 1 1 51 26 13 o 4.9057   0.105665  24.2407      1.03672  24.8128      1.42632  23.5999      1.50951  4.94773  0.144139  4.81946  0.156605  
1 1 1 51 26 14 o 2.43969  0.150926  6.04706      0.736426 4.46165      1.00731  7.86732      1.07934  2.06982  0.243333  2.7683   0.194947  
1 1 1 51 26 15 o 4.88255  0.113482  24.069       1.10817  26.6985      1.51758  21.0652      1.62199  5.1253   0.148048  4.53589  0.178795  
1 1 1 51 26 16 f 0.799344 0.307598  0.505431     0.695304 -0.338406    0.944224 1.50504      1.02769  0.703365 0.317225  1.16706  0.382183  
1 1 1 51 26 17 o 0.996029 0.323428  1.06642      0.735992 1.49039      0.999128 0.563417     1.08828  1.15729  0.376836  0.924784 0.37548   
1 1 1 51 26 18 o 0.905064 0.322307  0.814993     0.736992 2.31953      1.04687  -0.663323    1.03771  1.41525  0.36689   0.687165 0.318138  
1 1 1 51 26 19 o 0.630361 0.284824  -0.282672    0.764682 0.173308     1.02947  -0.843905    1.14213  0.817198 0.35074   0.698616 0.327148  
1 1 1 51 26 20 o 1.66048  0.236903  2.93224      0.786747 3.5642       1.08155  2.22204      1.14654  1.77049  0.316896  1.35014  0.397933  
1 1 1 51 26 21 o 1.71825  0.246449  3.17368      0.846925 3.40219      1.18783  2.93738      1.20789  1.68984  0.361943  1.54717  0.390168  
1 1 1 51 26 22 o 1.70795  0.227098  3.1186       0.775744 3.47681      1.07276  2.72598      1.12311  1.72973  0.322108  1.48822  0.376782  
1 1 1 51 26 23 o 0.736203 0.313578  0.234921     0.81193  -1.13767     1.12222  1.74261      1.17616  0.638438 0.306218  1.16889  0.408057  
1 1 1 51 26 24 o 1.11065  0.34916   1.55597      0.863291 1.36431      1.24341  1.73434      1.19952  1.0515   0.409948  1.14138  0.410716  
1 1 1 51 26 25 o 0.690854 0.306217  0.0336793    0.843054 0.0469091    1.24657  0.0225276    1.14448  0.802697 0.363125  0.774561 0.349297  
1 1 1 51 26 26 o 0.743418 0.321885  0.329553     0.881333 0.446627     1.21417  0.19917      1.28133  0.831667 0.368204  0.806627 0.366224  
1 1 1 51 26 27 o 1.36513  0.33659   2.51214      0.914373 1.7837       1.25294  3.34215      1.33743  1.06615  0.412365  1.44897  0.430495  
1 1 1 51 26 28 o 0.678526 0.307863  0.123518     0.902578 1.20902      1.26757  -0.992893    1.28549  0.910187 0.389872  0.641903 0.312544  
1 1 1 51 26 29 o 1.64351  0.333832  3.91874      1.05913  3.29765      1.43333  4.66575      1.57192  1.23921  0.44866   1.49646  0.471291  
1 1 1 51 26 30 o 0.78589  0.349798  0.864025     1.11376  1.24277      1.66154  0.554988     1.50087  0.840594 0.393804  0.767733 0.363754  
1 1 1 51 27 0  o 1.53127  0.295871  2.63218      0.807624 2.63218      0.807624 2.63218      0.807624 1.58414  0.186073  ?        ?         
1 1 1 51 27 1  o 4.86792  0.0783207 23.7696      0.762518 23.4238      1.098    24.0917      1.05974  4.82424  0.1138    4.89402  0.108269  
1 1 1 51 27 2  o 5.14527  0.0749392 26.5486      0.771165 25.5753      1.06027  27.6417      1.12367  5.04326  0.105117  5.24247  0.10717   
1 1 1 51 27 3  o 4.86168  0.0858906 23.724       0.835146 23.2458      1.18769  24.1918      1.17457  4.80291  0.123642  4.90081  0.119834  
1 1 1 51 27 4  o 2.43258  0.143935  5.97971      0.700266 5.14892      1.01706  6.72855      0.965593 2.23998  0.227025  2.57101  0.187785  
1 1 1 51 27 5  o 2.48992  0.134331  6.25757      0.668949 5.85636      1.00578  6.57584      0.895814 2.39276  0.210172  2.54399  0.176065  
1 1 1 51 27 6  o 1.92571  0.172347  3.76733      0.663778 2.53188      0.964558 4.87874      0.91486  1.52181  0.326337  2.18319  0.209523  
1 1 1 51 27 7  o 1.82809  0.181408  3.40336      0.663259 3.90546      0.946075 2.91806      0.930107 1.94419  0.243308  1.67233  0.278088  
1 1 1 51 27 8  o 1.1266   0.299284  1.38185      0.685939 2.25492      0.959623 0.469712     0.980853 1.42805  0.340341  0.887376 0.358022  
1 1 1 51 27 9  o 0.51734  0.24253   -0.606072    0.634136 -0.0488755   0.920945 -1.10845     0.874467 0.753534 0.32769   0.568966 0.272271  
1 1 1 51 27 10 o 1.55198  0.208556  2.47198      0.64735  3.00647      0.950739 2.01         0.883893 1.69385  0.280644  1.34829  0.330007  
1 1 1 51 27 11 o 2.28643  0.153225  5.30478      0.700678 5.49038      1.0161   5.13651      0.967499 2.30796  0.220131  2.2334   0.216598  
1 1 1 51 27 12 o 1.77936  0.18705   3.23938      0.665659 3.30001      0.898308 3.16556      0.991318 1.77937  0.252423  1.73279  0.286047  
1 1 1 51 27 13 o 3.0767   0.121142  9.56497      0.745432 9.37345      0.999401 9.80512      1.11913  3.03249  0.164782  3.09558  0.180763  
1 1 1 51 27 14 f 3.60467  0.114725  13.1218      0.82709  12.309       1.14218  14.0178      1.19927  3.47348  0.164415  3.70794  0.161716  
1 1 1 51 27 15 o 3.55552  0.125851  12.7943      0.894927 12.7412      1.15078  12.8757      1.42352  3.5339   0.16282   3.53397  0.201405  
1 1 1 51 27 16 o 1.05901  0.315761  1.237        0.718669 1.43818      0.975158 0.997836     1.06325  1.13986  0.372288  1.02449  0.384085  
1 1 1 51 27 17 o 0.844474 0.31749   0.63375      0.727516 0.636928     0.998152 0.630147     1.0626   0.914731 0.364235  0.929147 0.373564  
1 1 1 51 27 18 o 0.443493 0.219885  -1.62148     0.734789 -1.85722     1.01107  -1.35761     1.0697   0.544925 0.268117  0.614633 0.295807  
1 1 1 51 27 19 o 0.9329   0.329981  0.914292     0.771339 0.33191      1.06698  1.55185      1.11638  0.852406 0.361131  1.15611  0.398129  
1 1 1 51 27 20 o 2.44313  0.175622  6.19372      0.858135 5.55158      1.22283  6.81681      1.20455  2.25767  0.270817  2.52503  0.238522  
1 1 1 51 27 21 o 2.90893  0.161701  8.75051      0.94075  9.22217      1.28639  8.20826      1.37931  2.94623  0.218311  2.75413  0.250408  
1 1 1 51 27 22 o 1.76895  0.247529  3.41541      0.875733 3.38274      1.30324  3.44231      1.18249  1.6267   0.402303  1.67691  0.36284   
1 1 1 51 27 23 o 1.2607   0.327497  1.94791      0.833047 0.529797     1.16996  3.4062       1.18642  0.877467 0.375166  1.63962  0.370492  
1 1 1 51 27 24 o 0.601913 0.282571  -0.58656     0.871777 -1.93573     1.23344  0.760155     1.23232  0.595056 0.293086  0.920471 0.388942  
1 1 1 51 27 25 o 1.9571   0.232283  4.29089      0.9092   3.95773      1.25834  4.6548       1.31514  1.71971  0.376201  1.88984  0.360872  
1 1 1 51 27 26 o 0.821786 0.337996  0.726643     0.893315 0.258932     1.27603  1.17619      1.25101  0.79997  0.363804  0.946568 0.395496  
1 1 1 51 27 27 o 0.841174 0.345714  0.838865     0.933891 -0.0636925   1.33697  1.69885      1.30505  0.75755  0.354605  1.03135  0.414269  
1 1 1 51 27 28 o 0.654911 0.304116  -0.00955697  0.957427 0.696018     1.37261  -0.67813     1.33614  0.80729  0.37063   0.660912 0.320868  
1 1 1 51 27 29 o 0.645653 0.306627  -0.220675    1.07204  0.559314     1.51273  -1.00764     1.51949  0.788454 0.370642  0.660149 0.325144  
1 1 1 51 27 30 o 0.753166 0.341927  0.967317     1.1165   0.149072     1.6481   1.66135      1.51786  0.691025 0.340377  0.818083 0.381052  
1 1 1 51 28 0  o 0.616387 0.367238  0.463646     0.779146 0.463646     0.779146 0.463646     0.779146 0.571935 0.321654  ?        ?         
1 1 1 51 28 1  o 3.75314  0.087428  14.1433      0.656259 14.2427      0.937119 14.0476      0.919317 3.75841  0.12467   3.73296  0.123135  
1 1 1 51 28 2  o 3.79859  0.0777949 14.4761      0.591022 15.4854      0.847864 13.5221      0.824295 3.92284  0.108068  3.66479  0.112461  
1 1 1 51 28 3  o 3.27396  0.108065  10.7871      0.707598 10.3987      1.04677  11.1139      0.96021  3.20136  0.163489  3.31477  0.144838  
1 1 1 51 28 4  o 4.32673  0.0930935 18.8111      0.805581 19.562       1.20765  18.2091      1.08131  4.39973  0.137242  4.24797  0.127274  
1 1 1 51 28 5  o 2.63991  0.130704  7.03698      0.690093 7.92174      1.03815  6.33653      0.923719 2.78702  0.186248  2.49287  0.185272  
1 1 1 51 28 6  o 3.22897  0.112284  10.5022      0.725126 10.4469      1.04763  10.5532      1.00468  3.20746  0.163311  3.22597  0.155718  
1 1 1 51 28 7  o 0.86876  0.304319  0.725735     0.654625 1.32191      0.954873 0.197063     0.899192 1.11754  0.368395  0.796785 0.33424   
1 1 1 51 28 8  o 3.63266  0.102643  13.2798      0.745736 13.0954      1.07157  13.453       1.03847  3.59474  0.149047  3.64559  0.142428  
1 1 1 51 28 9  o 1.74304  0.186461  3.10355      0.650017 3.34796      0.952321 2.89036      0.889424 1.79061  0.265921  1.66336  0.267357  
1 1 1 51 28 10 o 2.15207  0.157095  4.70502      0.676158 5.52391      0.981276 3.9647       0.933012 2.31683  0.211771  1.95538  0.238576  
1 1 1 51 28 11 o 1.2923   0.277066  1.81764      0.695416 2.39391      0.99414  1.26546      0.97313  1.4627   0.345014  1.09559  0.3719    
1 1 1 51 28 12 o 1.61213  0.201481  2.67598      0.649628 2.6838       0.850016 2.66499      1.00731  1.59762  0.266026  1.5446   0.335472  
1 1 1 51 28 13 o 3.07267  0.123842  9.55021      0.761051 8.18757      1.00038  11.4224      1.17259  2.82836  0.176849  3.34127  0.17547   
1 1 1 51 28 14 o 4.20001  0.109908  17.8029      0.923229 18.9534      1.2549   16.4455      1.36308  4.31882  0.145283  4.01125  0.169907  
1 1 1 51 28 15 o 0.702236 0.295733  0.143248     0.708518 0.610866     0.981125 -0.366389    1.02426  0.908002 0.361254  0.72822  0.329309  
1 1 1 51 28 16 o 2.63205  0.147746  7.06047      0.777749 6.99283      1.04743  7.14358      1.16115  2.59849  0.201545  2.61683  0.221863  
1 1 1 51 28 17 f 4.47721  0.109873  20.2749      0.983852 22.4782      1.38638  18.0395      1.39642  4.69291  0.14771   4.19262  0.166534  
1 1 1 51 28 18 o 0.872122 0.329256  0.709764     0.784498 0.0958637    1.14141  1.2594       1.08002  0.831357 0.363164  1.07471  0.389424  
1 1 1 51 28 19 f 2.29718  0.178943  5.48114      0.822125 4.70317      1.17778  6.22041      1.14811  2.07031  0.284445  2.41333  0.237868  
1 1 1 51 28 20 o 2.47247  0.169011  6.3365       0.835749 5.3483       1.22108  7.20738      1.14632  2.20675  0.276669  2.60493  0.220029  
1 1 1 51 28 21 o 1.32804  0.306665  2.06402      0.798669 1.11836      1.18761  2.84482      1.07914  1.0231   0.400281  1.52714  0.358977  
1 1 1 51 28 22 o 1.40811  0.30438   2.34615      0.832901 1.75231      1.16498  2.96707      1.19125  1.16183  0.406065  1.51388  0.390864  
1 1 1 51 28 23 o 0.609747 0.284789  -0.494024    0.855191 0.532716     1.23482  -1.44043     1.18553  0.882524 0.381546  0.620823 0.301668  
1 1 1 51 28 24 o 0.905244 0.344396  0.946742     0.863791 0.59472      1.22681  1.29284      1.21643  0.878342 0.380029  1.0143   0.402655  
1 1 1 51 28 25 o 2.40838  0.194278  6.35027      0.935792 7.95213      1.31855  4.72455      1.32833  2.62001  0.251629  1.87054  0.368181  
1 1 1 51 28 26 o 0.725653 0.320543  0.276346     0.913178 0.24301      1.25938  0.313305     1.32606  0.788546 0.359359  0.808689 0.368596  
1 1 1 51 28 27 o 0.9113   0.35236   1.25584      0.914676 1.63199      1.28328  0.867404     1.30406  0.970967 0.402794  0.841333 0.376375  
1 1 1 51 28 28 o 1.94266  0.276992  4.95324      1.0762   4.81889      1.45554  5.11526      1.59845  1.60759  0.440029  1.5792   0.470926  
1 1 1 51 28 29 o 0.730605 0.330082  0.590898     1.02671  -1.17129     1.50448  2.12693      1.40463  0.629231 0.312425  0.964813 0.411745  
1 1 1 51 29 0  o 0.612891 0.365789  0.458006     0.775216 0.458006     0.775216 0.458006     0.775216 0.568479 0.320404  ?        ?         
1 1 1 51 29 1  o 1.35142  0.212922  1.87408      0.575493 3.33478      0.818522 0.446119     0.809297 1.79941  0.227441  0.826928 0.328381  
1 1 1 51 29 2  o 4.13554  0.0752978 17.1588      0.622795 17.8736      0.917847 16.549       0.847843 4.21324  0.108924  4.0552   0.104538  
1 1 1 51 29 3  o 2.26021  0.147217  5.17305      0.665483 5.53602      1.00635  4.89098      0.887149 2.32126  0.216769  2.18544  0.202968  
1 1 1 51 29 4  o 2.06795  0.163797  4.34382      0.677449 3.97329      1.01234  4.64431      0.911667 1.95514  0.258891  2.12652  0.214356  
1 1 1 51 29 5  o 3.42023  0.107702  11.7788      0.73673  11.5178      1.08483  12.0021      1.00368  3.36783  0.161058  3.44265  0.145771  
1 1 1 51 29 6  o 1.79019  0.184491  3.27092      0.660547 3.01724      0.963526 3.49587      0.907314 1.67003  0.299317  1.83584  0.247111  
1 1 1 51 29 7  o 2.08525  0.1595    4.41685      0.665196 4.85919      0.967297 4.01998      0.916236 2.17086  0.222791  1.97193  0.23232   
1 1 1 51 29 8  o 4.04175  0.0989336 16.4381      0.79973  16.0987      1.13363  16.7743      1.12837  3.9864   0.142187  4.07049  0.138603  
1 1 1 51 29 9  o 2.44822  0.143183  6.07559      0.701086 6.05992      1.02958  6.08913      0.95733  2.42551  0.21224   2.43644  0.196461  
1 1 1 51 29 10 o 2.12454  0.161872  4.59704      0.687806 3.3288       0.953311 5.974        0.993333 1.78014  0.267763  2.4084   0.206223  
1 1 1 51 29 11 o 3.31203  0.106412  11.0621      0.70488  10.769       0.940404 11.438       1.06486  3.2565   0.144389  3.35073  0.158899  
1 1 1 51 29 12 o 3.22707  0.112586  10.5137      0.726648 10.0548      0.957564 11.1368      1.11575  3.14348  0.15231   3.30175  0.168964  
1 1 1 51 29 13 o 0.475964 0.229008  -0.893631    0.640066 -1.19567     0.84896  -0.495811    0.974312 0.542835 0.261808  0.690566 0.315077  
1 1 1 51 29 14 o 2.06957  0.168143  4.38309      0.695969 4.13489      0.950001 4.67061      1.02249  1.98719  0.239031  2.11073  0.242212  
1 1 1 51 29 15 o 3.03157  0.133388  9.33419      0.80875  11.6285      1.15853  7.1534       1.12951  3.36653  0.172066  2.62165  0.21542   
1 1 1 51 29 16 o 3.19897  0.127345  10.391       0.814747 10.0805      1.13918  10.716       1.16574  3.1262   0.182198  3.22399  0.180791  
1 1 1 51 29 17 f 1.89991  0.21248   3.78592      0.807385 4.17146      1.21496  3.48101      1.08047  1.9422   0.31278   1.75132  0.320391  
1 1 1 51 29 18 o 1.31601  0.304232  1.98599      0.785341 1.75836      1.15695  2.18051      1.06948  1.20736  0.405508  1.33986  0.380982  
1 1 1 51 29 19 o 0.731794 0.308721  0.224642     0.774348 0.241104     1.17361  0.211949     1.03049  0.855223 0.370884  0.810167 0.349384  
1 1 1 51 29 20 o 0.601808 0.276543  -0.389168    0.766097 -0.0679408   1.11952  -0.672067    1.05061  0.780844 0.349037  0.671345 0.314269  
1 1 1 51 29 21 o 0.885139 0.334715  0.81673      0.81183  0.294855     1.19933  1.25807      1.10292  0.85068  0.371928  1.03623  0.390639  
1 1 1 51 29 22 o 1.10998  0.347713  1.55493      0.857164 0.699253     1.21853  2.39309      1.206    0.91114  0.385966  1.32043  0.412203  
1 1 1 51 29 23 o 1.16866  0.345809  1.7471       0.864204 0.750955     1.1847   2.88006      1.26344  0.90735  0.382275  1.43541  0.416029  
1 1 1 51 29 24 o 0.550022 0.2651    -0.903856    0.866949 -1.13463     1.20843  -0.659112    1.24447  0.63816  0.308689  0.69497  0.330199  
1 1 1 51 29 25 o 1.87569  0.252141  4.12832      0.945881 2.25077      1.37039  5.83671      1.3072   1.16001  0.435817  2.16326  0.302137  
1 1 1 51 29 26 o 1.01008  0.363008  1.51449      0.936781 2.00323      1.31485  1.01066      1.33499  1.08154  0.421581  0.894534 0.39174   
1 1 1 51 29 27 o 0.619443 0.295419  -0.351399    1.0074   -1.60008     1.37818  1.08127      1.47623  0.599225 0.297732  0.852949 0.388807  
1 1 1 51 29 28 o 0.733777 0.333     0.482096     1.05677  -0.517868    1.59567  1.26336      1.41042  0.701724 0.342886  0.864441 0.388908  
1 1 1 51 29 29 o 1.0014   0.381123  2.1665       1.05818  1.96023      1.55486  2.34445      1.44423  0.848335 0.39148   0.916082 0.404087  
1 1 1 51 30 0  o 1.53156  0.302294  2.6536       0.822663 2.6536       0.822663 2.6536       0.822663 1.58811  0.189232  ?        ?         
1 1 1 51 30 1  o 3.00005  0.102792  9.05784      0.61676  8.73522      0.853492 9.41044      0.89226  2.93673  0.145313  3.04783  0.146376  
1 1 1 51 30 2  o 2.75759  0.100371  7.6509       0.553561 7.96552      0.72846  7.22092      0.85159  2.8079   0.129716  2.66644  0.159687  
1 1 1 51 30 3  o 3.64802  0.102314  13.3935      0.746484 13.269       1.117    13.494       1.00347  3.61607  0.15445   3.65216  0.137381  
1 1 1 51 30 4  o 2.9265   0.120604  8.64177      0.705897 8.35821      1.04733  8.87782      0.95555  2.86114  0.183027  2.95543  0.16166   
1 1 1 51 30 5  o 2.04173  0.167374  4.24255      0.683465 5.15536      1.03371  3.53359      0.911009 2.23264  0.231499  1.84419  0.246995  
1 1 1 51 30 6  o 3.11083  0.115867  9.76153      0.720887 8.90254      1.03484  10.5714      1.0048   2.95428  0.175142  3.22593  0.155738  
1 1 1 51 30 7  f 1.07348  0.296334  1.25948      0.656705 1.25348      0.943788 1.26512      0.914354 1.08907  0.366251  1.08957  0.360494  
1 1 1 51 30 8  o 3.35307  0.113346  11.3442      0.76011  11.5487      1.07119  11.1368      1.07876  3.36869  0.158992  3.30655  0.163125  
1 1 1 51 30 9  o 0.875835 0.301298  0.769053     0.639235 0.100106     0.880381 1.51499      0.92966  0.76217  0.325642  1.16731  0.36141   
1 1 1 51 30 10 o 1.48726  0.185122  2.26889      0.55065  1.88175      0.682989 2.98791      0.930792 1.3154   0.268901  1.6809   0.276873  
1 1 1 51 30 11 o 3.88563  0.122378  15.2701      0.951031 13.7472      1.32953  16.8658      1.36094  3.66206  0.181528  4.06365  0.167453  
1 1 1 51 30 12 o 1.44093  0.297328  2.28613      0.82761  1.63929      1.16987  2.93419      1.17097  1.21426  0.407765  1.60189  0.372257  
1 1 1 51 30 13 f 2.24767  0.188696  5.2047       0.848252 5.85971      1.17647  4.49551      1.22417  2.35941  0.249315  2.04411  0.299439  
1 1 1 51 30 14 o 1.41613  0.289247  2.21725      0.790897 1.27123      1.15995  3.03916      1.08119  1.10421  0.403235  1.63688  0.341442  
1 1 1 51 30 15 o 0.771022 0.313685  0.356485     0.761101 -0.0167074   1.17677  0.624865     0.997926 0.83058  0.365733  0.906917 0.363099  
1 1 1 51 30 16 o 0.501834 0.242874  -1.10403     0.751831 -0.952528    1.11002  -1.23244     1.02193  0.669936 0.315675  0.605361 0.290803  
1 1 1 51 30 17 o 2.18818  0.184473  4.98248      0.807322 5.32532      1.22676  4.72057      1.07223  2.20858  0.277726  2.09254  0.256204  
1 1 1 51 30 18 o 1.62808  0.241736  2.8451       0.78713  2.33537      1.19551  3.23516      1.04579  1.36616  0.407242  1.67196  0.324319  
1 1 1 51 30 19 o 0.499506 0.24197   -1.08577     0.752459 -0.131647    1.10083  -1.92251     1.03089  0.76604  0.344167  0.538488 0.265391  
1 1 1 51 30 20 o 1.26022  0.321612  1.9078       0.813428 1.75356      1.21993  2.03127      1.09148  1.16959  0.414857  1.25679  0.392105  
1 1 1 51 30 21 o 0.603923 0.28042   -0.436992    0.81386  0.818853     1.18699  -1.55119     1.11805  0.931144 0.3869    0.58969  0.287899  
1 1 1 51 30 22 o 1.08685  0.339597  1.49141      0.818313 1.75998      1.14155  1.20751      1.17366  1.14168  0.401676  1.00424  0.396504  
1 1 1 51 30 23 o 0.718624 0.313056  0.231443     0.843342 -0.356271    1.14181  0.936927     1.25099  0.707297 0.329853  0.929139 0.392206  
1 1 1 51 30 24 o 0.86153  0.339287  0.900049     0.857326 2.1079       1.19595  -0.376805    1.22964  1.16225  0.410909  0.71076  0.334133  
1 1 1 51 30 25 o 0.938989 0.352548  1.21813      0.896464 0.612319     1.31288  1.74732      1.22705  0.842811 0.377325  1.04994  0.407671  
1 1 1 51 30 26 o 0.925622 0.364743  1.37386      0.991347 1.77867      1.34897  0.898526     1.46177  0.978246 0.409829  0.843383 0.38522   
1 1 1 51 30 27 o 0.666832 0.311903  0.0411048    1.03047  -0.486055    1.44509  0.586483     1.46985  0.683527 0.332426  0.784029 0.367857  
1 1 1 51 30 28 o 0.81561  0.348404  1.15812      1.0074   0.571564     1.44939  1.70631      1.40118  0.739639 0.353124  0.871969 0.390107  
1 1 1 51 31 0  o 0.701869 0.395792  0.72096      0.836972 0.72096      0.836972 0.72096      0.836972 0.685076 0.348342  ?        ?         
1 1 1 51 31 1  o 1.31192  0.216691  1.77351      0.568564 1.62014      0.776655 1.95062      0.834611 1.21142  0.316928  1.32866  0.317873  
1 1 1 51 31 2  o 4.10449  0.0987779 16.9541      0.810866 16.3309      1.21258  17.4582      1.09057  4.0112   0.151149  4.1549   0.131239  
1 1 1 51 31 3  f 0.674586 0.28277   0.127575     0.642787 1.43018      0.971247 -0.887621    0.85743  1.14775  0.371426  0.586822 0.276784  
1 1 1 51 31 4  o 2.53452  0.138711  6.50672      0.703131 7.43977      1.0342   5.70472      0.958826 2.69447  0.191912  2.35591  0.203494  
1 1 1 51 31 5  o 0.867739 0.310533  0.713288     0.684877 1.84763      1.02106  -0.214455    0.923409 1.28098  0.374884  0.719295 0.319441  
1 1 1 51 31 6  o 0.676631 0.285637  0.105928     0.663592 -0.217096    0.946768 0.417856     0.930367 0.727174 0.323134  0.852002 0.346755  
1 1 1 51 31 7  o 0.55262  0.255214  -0.472242    0.66248  -0.316365    0.924453 -0.636798    0.949839 0.699818 0.314851  0.660302 0.305192  
1 1 1 51 31 8  o 0.522407 0.244726  -0.582312    0.641346 -0.597124    0.873912 -0.565024    0.944155 0.633275 0.292715  0.668223 0.307037  
1 1 1 51 31 9  o 2.64816  0.155422  7.14115      0.823163 6.84835      1.13017  7.47199      1.20134  2.57021  0.21986   2.68294  0.223885  
1 1 1 51 31 10 o 1.77117  0.232692  3.26725      0.824273 2.88409      1.18588  3.6254       1.14651  1.58498  0.378724  1.8081   0.329229  
1 1 1 51 31 11 o 3.23857  0.142366  10.6592      0.922125 11.2011      1.32705  10.1532      1.28227  3.29353  0.201462  3.13416  0.204563  
1 1 1 51 31 12 o 1.32177  0.310134  1.96002      0.806611 0.828067     1.12227  3.16961      1.16012  0.988844 0.388581  1.66349  0.358918  
1 1 1 51 31 13 o 1.34976  0.320276  2.05653      0.852715 2.28809      1.16944  1.79364      1.24605  1.39302  0.399124  1.24909  0.420832  
1 1 1 51 31 14 o 0.895897 0.339873  0.732987     0.839279 0.790648     1.18795  0.675526     1.18589  0.986141 0.395604  0.960814 0.391338  
1 1 1 51 31 15 o 1.6236   0.255126  2.82453      0.828447 2.83975      1.18888  2.81017      1.15505  1.53551  0.387001  1.53253  0.378573  
1 1 1 51 31 16 o 2.47969  0.172063  6.36683      0.853327 5.90611      1.31181  6.70479      1.12353  2.32222  0.282446  2.51559  0.223312  
1 1 1 51 31 17 o 0.873775 0.322571  0.765962     0.744227 1.01023      1.11578  0.570195     0.998885 1.00204  0.388816  0.876982 0.358501  
1 1 1 51 31 18 o 1.01923  0.332915  1.20405      0.779803 0.530932     1.19545  1.70262      1.02883  0.906766 0.383112  1.17848  0.382368  
1 1 1 51 31 19 o 1.71173  0.244663  3.20015      0.837593 2.62777      1.19095  3.76037      1.17823  1.42391  0.401126  1.76575  0.34597   
1 1 1 51 31 20 o 2.32251  0.191623  5.74224      0.890093 4.30497      1.27605  7.10428      1.2422   1.86288  0.355245  2.53439  0.245069  
1 1 1 51 31 21 o 0.992348 0.338087  1.20937      0.804219 0.224843     1.13472  2.20304      1.13997  0.807681 0.356977  1.27079  0.401515  
1 1 1 51 31 22 o 0.549418 0.262033  -0.705914    0.792736 -1.32231     1.10924  -0.0624253   1.13335  0.598099 0.290995  0.749554 0.341406  
1 1 1 51 31 23 o 1.44412  0.317665  2.67768      0.89266  2.48693      1.20984  2.9056       1.32249  1.27243  0.414673  1.35527  0.432899  
1 1 1 51 31 24 o 0.585492 0.275988  -0.488393    0.849987 -0.491677    1.16312  -0.484629    1.24521  0.677027 0.320513  0.6974   0.330853  
1 1 1 51 31 25 o 0.580138 0.279307  -0.679179    0.955821 -1.06906     1.34652  -0.283193    1.35701  0.643003 0.314376  0.713443 0.340872  
1 1 1 51 31 26 f 0.663651 0.312128  -0.0528787   1.07539  0.924322     1.49647  -1.09641     1.54642  0.823771 0.381635  0.656373 0.323862  
1 1 1 51 31 27 o 0.639388 0.299718  -0.0296527   0.967632 0.609719     1.47579  -0.5118      1.28155  0.775726 0.365074  0.647425 0.314297  
1 1 1 51 32 0  o 0.974002 0.414934  1.40777      0.817198 1.40777      0.817198 1.40777      0.817198 1.05787  0.314338  ?        ?         
1 1 1 51 32 1  o 4.20215  0.0839508 17.7471      0.705548 19.7439      0.987849 15.6677      1.00805  4.42378  0.111652  3.93529  0.128078  
1 1 1 51 32 2  o 3.02756  0.122582  9.26557      0.742246 8.9898       1.13696  9.47039      0.97986  2.95924  0.192104  3.04919  0.160676  
1 1 1 51 32 3  o 4.36745  0.0956317 19.2027      0.835333 18.7995      1.21943  19.5592      1.14661  4.30437  0.141651  4.39531  0.130435  
1 1 1 51 32 4  o 2.48283  0.144674  6.26056      0.718402 6.21067      1.07239  6.30118      0.967619 2.44895  0.218948  2.47538  0.195449  
1 1 1 51 32 5  o 0.754149 0.304238  0.333345     0.70819  0.508136     1.02698  0.174867     0.977885 0.899607 0.364944  0.812103 0.344968  
1 1 1 51 32 6  o 4.27456  0.106028  18.4267      0.906447 17.6478      1.24864  19.2945      1.31799  4.16583  0.149866  4.35514  0.151315  
1 1 1 51 32 7  o 3.37173  0.114248  11.4812      0.770427 11.1188      1.0678   11.8748      1.11268  3.30183  0.161698  3.41166  0.163071  
1 1 1 51 32 8  o 2.98859  0.141419  9.06853      0.845287 9.61726      1.19388  8.51697      1.19696  3.05678  0.195284  2.87092  0.208463  
1 1 1 51 32 9  o 2.38145  0.177054  5.8115       0.843291 5.98702      1.18586  5.63193      1.19944  2.3895   0.24814   2.31262  0.259326  
1 1 1 51 32 10 o 0.655655 0.29383   -0.24472     0.797905 -0.685397    1.12447  0.202183     1.13239  0.71819  0.331992  0.861602 0.36876   
1 1 1 51 32 11 o 2.79874  0.153291  7.99473      0.858045 6.82031      1.20377  9.20775      1.22339  2.54991  0.236042  2.97977  0.205282  
1 1 1 51 32 12 o 1.25854  0.322484  1.79689      0.815392 2.89798      1.13114  0.605788     1.17647  1.58261  0.364624  0.94916  0.388712  
1 1 1 51 32 13 o 2.05742  0.212884  4.42902      0.875983 4.46451      1.22485  4.39187      1.2533   2.02082  0.303056  1.9983   0.313592  
1 1 1 51 32 14 o 1.96198  0.217152  4.05311      0.852095 4.37133      1.26842  3.7914       1.15031  1.97927  0.320425  1.82056  0.327882  
1 1 1 51 32 15 o 1.895    0.21948   3.80039      0.831832 3.52393      1.14741  4.10666      1.20768  1.7385   0.34219   1.91509  0.315308  
1 1 1 51 32 16 f 0.870283 0.332302  0.715483     0.806599 -0.749413    1.13666  2.20143      1.14479  0.696908 0.326351  1.33146  0.398838  
1 1 1 51 32 17 o 4.0584   0.128388  16.8411      1.0421   15.6244      1.40522  18.3281      1.55341  3.8663   0.181726  4.18352  0.185658  
1 1 1 51 32 18 f 0.679153 0.301321  -0.0548757   0.818947 -0.225291    1.19199  0.0974804    1.12707  0.772141 0.351274  0.803588 0.355392  
1 1 1 51 32 19 o 2.41312  0.188515  6.18143      0.90982  7.25772      1.23325  4.89608      1.34771  2.56824  0.240096  2.02625  0.332564  
1 1 1 51 32 20 o 2.0768   0.203622  4.65014      0.845764 4.81593      1.20416  4.48872      1.18818  2.03417  0.295984  1.95666  0.303624  
1 1 1 51 32 21 o 0.794291 0.322374  0.573871     0.801897 1.80447      1.11838  -0.728198    1.1504   1.14192  0.397979  0.672874 0.318646  
1 1 1 51 32 22 o 0.768937 0.32141   0.516333     0.82675  0.848327     1.15681  0.169729     1.18199  0.888336 0.376174  0.778596 0.352836  
1 1 1 51 32 23 o 1.64267  0.266122  3.22353      0.874302 3.70114      1.21555  2.7116       1.25846  1.60868  0.382827  1.30104  0.422923  
1 1 1 51 32 24 o 0.729243 0.321618  0.363403     0.914376 1.41176      1.22837  -0.939351    1.36932  0.95935  0.395759  0.669682 0.325033  
1 1 1 51 32 25 o 0.574682 0.280128  -0.879442    1.04336  -0.843099    1.49611  -0.913853    1.45579  0.672222 0.329295  0.660399 0.323897  
1 1 1 51 32 26 o 0.564168 0.274096  -0.780643    0.978064 -1.00137     1.46372  -0.60259     1.31464  0.651172 0.320747  0.655278 0.318178  
1 1 1 51 32 27 o 1.1991   0.374921  2.73663      0.997183 0.846705     1.44742  4.44408      1.37577  0.737072 0.352133  1.39221  0.441213  
1 1 1 51 33 0  o 4.25018  0.123631  18.2135      1.0489   18.2135      1.0489   18.2135      1.0489   4.25898  0.0871551 ?        ?         
1 1 1 51 33 1  o 5.40482  0.0809796 29.3565      0.87536  30.7264      1.26509  28.0982      1.21248  5.51587  0.114677  5.27457  0.114936  
1 1 1 51 33 2  o 0.55868  0.257746  -0.468501    0.67342  -1.26326     1.07125  0.0507786    0.865909 0.631382 0.30195   0.745425 0.320854  
1 1 1 51 33 3  o 2.03657  0.167043  4.23528      0.680391 3.73047      0.995209 4.6783       0.932304 1.8822   0.264374  2.1245   0.219417  
1 1 1 51 33 4  o 4.43843  0.104712  19.864       0.929515 20.5878      1.28909  19.08        1.34154  4.50238  0.143157  4.32867  0.15496   
1 1 1 51 33 5  o 1.49571  0.238896  2.33477      0.714637 2.54963      1.00695  2.11671      1.01439  1.50477  0.342218  1.36222  0.364898  
1 1 1 51 33 6  o 1.68682  0.197428  2.93074      0.666051 3.54389      0.94203  2.31782      0.941847 1.83654  0.256468  1.43654  0.333874  
1 1 1 51 33 7  o 1.66579  0.216718  2.87913      0.722016 2.62557      1.06223  3.0969       0.984381 1.51874  0.355606  1.6775   0.304642  
1 1 1 51 33 8  o 1.998    0.20254   4.13118      0.80935  3.61332      1.16206  4.61903      1.12789  1.79481  0.336159  2.08555  0.270407  
1 1 1 51 33 9  o 0.915376 0.333737  0.810928     0.79429  2.39751      1.15118  -0.630727    1.09734  1.42924  0.391381  0.714307 0.329344  
1 1 1 51 33 10 o 1.18186  0.322674  1.57747      0.783913 3.03477      1.12956  0.223416     1.08881  1.62665  0.356931  0.85012  0.362647  
1 1 1 51 33 11 o 2.08685  0.204456  4.53107      0.853338 4.67009      1.18851  4.38315      1.22597  2.08077  0.285594  2.00521  0.305695  
1 1 1 51 33 12 f 1.02813  0.344993  1.1726       0.837409 1.49748      1.15385  0.811024     1.21725  1.14718  0.403811  0.990385 0.399145  
1 1 1 51 33 13 o 0.51132  0.249864  -1.42161     0.847678 -1.31955     1.25012  -1.50848     1.15332  0.677897 0.324673  0.625025 0.302203  
1 1 1 51 33 14 o 2.35527  0.187183  5.78493      0.881732 6.11778      1.24612  5.45118      1.24779  2.37594  0.262238  2.23097  0.279653  
1 1 1 51 33 15 o 1.904    0.220812  3.84994      0.84085  3.05426      1.17942  4.6724       1.19911  1.58387  0.377203  2.05275  0.292073  
1 1 1 51 33 16 o 2.49504  0.176532  6.49242      0.880906 6.89435      1.29778  6.14901      1.19958  2.51254  0.258261  2.37743  0.252285  
1 1 1 51 33 17 o 0.608624 0.280877  -0.416061    0.800551 -0.710599    1.13593  -0.125415    1.1284   0.690676 0.323936  0.767979 0.346554  
1 1 1 51 33 18 o 2.2549   0.192127  5.40788      0.866455 5.68963      1.22894  5.1294       1.2218   2.24399  0.273828  2.11727  0.288532  
1 1 1 51 33 19 o 1.37137  0.318855  2.3023       0.858746 1.6578       1.24755  2.88267      1.18385  1.11677  0.416564  1.46835  0.394596  
1 1 1 51 33 20 o 0.638608 0.288662  -0.128594    0.786173 0.158773     1.12202  -0.40574     1.10189  0.78638  0.350524  0.699389 0.325341  
1 1 1 51 33 21 o 0.818712 0.328071  0.712038     0.815687 2.19937      1.13401  -0.882425    1.17414  1.22232  0.401467  0.651947 0.312824  
1 1 1 51 33 22 o 1.33077  0.327523  2.35383      0.866972 1.98485      1.21856  2.73206      1.23374  1.12098  0.412912  1.31734  0.417853  
1 1 1 51 33 23 o 1.0684   0.352609  1.64175      0.874789 2.29958      1.16049  0.776005     1.33131  1.19825  0.406127  0.86578  0.384145  
1 1 1 51 33 24 o 0.738187 0.333435  0.437528     1.04711  -1.28948     1.39192  2.68908      1.58931  0.627026 0.308872  1.09886  0.451204  
1 1 1 51 33 25 o 0.738899 0.331451  0.542683     1.01745  -0.842784    1.54022  1.61536      1.35525  0.671823 0.330672  0.920072 0.398774  
1 1 1 51 33 26 o 0.779217 0.338958  0.943008     0.985904 -0.0466804   1.43881  1.81899      1.35364  0.688884 0.333985  0.902033 0.39475   
1 1 1 51 34 0  o 0.655779 0.379276  0.605636     0.791929 0.605636     0.791929 0.605636     0.791929 0.629616 0.334033  ?        ?         
1 1 1 51 34 1  o 1.3181   0.201519  1.79173      0.531243 1.9191       0.736048 1.65323      0.767523 1.32114  0.286616  1.21773  0.313376  
1 1 1 51 34 2  o 1.73583  0.205323  3.11137      0.712811 2.58167      1.09086  3.50608      0.941652 1.50325  0.365795  1.82603  0.257841  
1 1 1 51 34 3  o 2.9114   0.125515  8.58153      0.730847 8.24151      1.02664  8.9309       1.04065  2.83436  0.181106  2.95251  0.176231  
1 1 1 51 34 4  o 2.56068  0.13985   6.66104      0.716224 7.166        1.04921  6.22042      0.980103 2.63497  0.199094  2.45477  0.199632  
1 1 1 51 34 5  o 2.1115   0.167836  4.56398      0.708771 4.19069      1.02178  4.91017      0.983995 1.99294  0.25635   2.1696   0.226769  
1 1 1 51 34 6  o 1.82116  0.178588  3.40905      0.650476 3.40701      0.914785 3.41114      0.925125 1.79579  0.254702  1.79579  0.257582  
1 1 1 51 34 7  o 3.35596  0.133198  11.4381      0.894014 11.3983      1.2794   11.4761      1.24977  3.32247  0.192537  3.33661  0.187282  
1 1 1 51 34 8  o 1.69793  0.243863  3.03465      0.828122 1.62169      1.17133  4.44672      1.17096  1.19846  0.408019  2.03528  0.287665  
1 1 1 51 34 9  o 1.03831  0.344126  1.18513      0.833206 1.18026      1.17535  1.19005      1.18134  1.07741  0.403844  1.08068  0.404911  
1 1 1 51 34 10 o 2.08549  0.210422  4.54808      0.877664 2.44241      1.21869  6.81685      1.26501  1.41989  0.407646  2.53101  0.249903  
1 1 1 51 34 11 o 1.97614  0.225596  4.12589      0.891622 3.9419       1.31439  4.28272      1.21353  1.82686  0.372647  1.96781  0.308344  
1 1 1 51 34 12 o 3.90386  0.134141  15.5643      1.04733  16.7329      1.48901  14.4201      1.47342  4.00981  0.185671  3.71206  0.198464  
1 1 1 51 34 13 o 0.731177 0.314239  0.134986     0.828275 -0.196624    1.21344  0.424274     1.13337  0.797709 0.359705  0.880598 0.372592  
1 1 1 51 34 14 o 1.16074  0.331116  1.58997      0.806575 0.236044     1.17345  2.80251      1.11049  0.852356 0.370268  1.51942  0.368662  
1 1 1 51 34 15 o 1.14057  0.328075  1.54732      0.788623 2.11869      1.1103   0.965595     1.12033  1.29618  0.393697  0.9817   0.387458  
1 1 1 51 34 16 o 1.55268  0.258228  2.65991      0.80189  4.43902      1.1355   0.889894     1.13259  1.98468  0.286067  0.955835 0.385101  
1 1 1 51 34 17 o 0.842809 0.331274  0.689579     0.81584  1.28652      1.15147  0.087834     1.15609  1.03482  0.396481  0.798218 0.355803  
1 1 1 51 34 18 o 0.484394 0.23802   -1.33338     0.792417 -2.07976     1.11004  -0.557777    1.13156  0.54446  0.270021  0.695086 0.32552   
1 1 1 51 34 19 o 0.73175  0.31014   0.319399     0.787459 -0.0463933   1.12487  0.670936     1.10273  0.756564 0.3434    0.875615 0.368855  
1 1 1 51 34 20 o 0.661344 0.294621  0.0372866    0.791655 -0.8101      1.09935  0.950021     1.14095  0.638997 0.305662  0.914093 0.379538  
1 1 1 51 34 21 o 0.621794 0.286063  -0.191609    0.822419 -0.111333    1.14915  -0.275897    1.17752  0.723004 0.334751  0.708373 0.3318    
1 1 1 51 34 22 o 0.727856 0.318167  0.346938     0.877324 0.963647     1.18822  -0.392233    1.30086  0.888382 0.378901  0.715886 0.338934  
1 1 1 51 34 23 o 0.797559 0.33816   0.802585     0.936754 0.471044     1.33022  1.12875      1.31938  0.783611 0.361797  0.874239 0.38585   
1 1 1 51 34 24 o 0.718494 0.322955  0.471692     0.970412 -0.974514    1.42593  1.71934      1.32443  0.641456 0.315951  0.934402 0.399325  
1 1 1 51 34 25 o 0.893057 0.363802  1.40005      1.02505  2.62055      1.45095  0.183963     1.44833  1.05874  0.432317  0.73     0.349588  
1 1 1 51 35 0  o 0.407269 0.284862  -0.638526    0.81456  -0.638526    0.81456  -0.638526    0.81456  0.319194 0.227251  ?        ?         
1 1 1 51 35 1  o 1.07078  0.252153  1.25486      0.531696 1.52199      0.727299 0.94821      0.779248 1.16518  0.307555  0.956987 0.332329  
1 1 1 51 35 2  o 1.00681  0.311858  1.11319      0.692104 0.111614     1.10596  1.75792      0.887328 0.835301 0.361108  1.24136  0.345123  
1 1 1 51 35 3  o 0.862548 0.307216  0.729909     0.669616 0.997416     0.992452 0.506369     0.907235 1.0068   0.372336  0.858413 0.345155  
1 1 1 51 35 4  o 2.15533  0.16547   4.75742      0.713283 4.93536      1.05139  4.60568      0.97088  2.16608  0.242695  2.09716  0.231476  
1 1 1 51 35 5  o 0.812187 0.305332  0.578878     0.672845 -0.483009    0.979987 1.52586      0.925447 0.690472 0.315392  1.16014  0.360873  
1 1 1 51 35 6  o 2.17655  0.197024  4.90614      0.857664 4.79299      1.26407  5.00266      1.16751  2.10382  0.300423  2.16556  0.269564  
1 1 1 51 35 7  o 0.809492 0.328047  0.42348      0.828615 0.508416     1.15389  0.333047     1.19065  0.919952 0.38181   0.895013 0.380433  
1 1 1 51 35 8  o 2.08779  0.20391   4.54657      0.851442 4.32859      1.22565  4.74989      1.18369  1.98533  0.308676  2.09497  0.282508  
1 1 1 51 35 9  o 1.88387  0.23329   3.76116      0.878975 4.49647      1.27191  3.08897      1.21609  2.01273  0.315965  1.60534  0.38347   
1 1 1 51 35 10 o 2.13163  0.203276  4.76182      0.866615 4.02977      1.22639  5.49195      1.22477  1.86584  0.341341  2.24856  0.272346  
1 1 1 51 35 11 o 1.76707  0.238556  3.33936      0.843088 3.11286      1.24654  3.53033      1.14459  1.59341  0.393077  1.74003  0.341059  
1 1 1 51 35 12 o 1.50261  0.289802  2.55532      0.839837 3.01032      1.21804  2.14299      1.15953  1.56424  0.390201  1.3125   0.403075  
1 1 1 51 35 13 o 1.63061  0.251915  2.88236      0.82155  4.02897      1.17353  1.78032      1.1505   1.88971  0.310507  1.20074  0.404376  
1 1 1 51 35 14 o 1.14898  0.325038  1.57377      0.780387 2.92963      1.11809  0.285833     1.08972  1.5437   0.367029  0.831295 0.3589    
1 1 1 51 35 15 o 2.55146  0.165179  6.78985      0.842895 7.03824      1.16308  6.51509      1.22326  2.55009  0.228047  2.43371  0.251316  
1 1 1 51 35 16 o 2.26729  0.185999  5.45333      0.843425 4.93179      1.18297  5.99253      1.20284  2.07698  0.284782  2.3138   0.259927  
1 1 1 51 35 17 o 0.608024 0.280238  -0.347285    0.793562 -0.653397    1.11085  -0.0282548   1.13404  0.676878 0.318024  0.768179 0.34699   
1 1 1 51 35 18 o 0.951396 0.335643  1.10175      0.797565 1.3506       1.14416  0.866528     1.11237  1.02911  0.394951  0.917462 0.377227  
1 1 1 51 35 19 o 0.683064 0.300353  0.143221     0.791366 -0.165633    1.12964  0.440873     1.10897  0.725551 0.334386  0.814448 0.356852  
1 1 1 51 35 20 o 0.745454 0.32221   0.395581     0.880226 0.0582907    1.20277  0.784551     1.29163  0.758316 0.347641  0.879564 0.385254  
1 1 1 51 35 21 f 0.912218 0.34868   1.1176       0.888833 1.68883      1.21866  0.468368     1.29921  1.03997  0.405765  0.822274 0.371413  
1 1 1 51 35 22 o 0.70866  0.312174  0.391345     0.858052 -0.213249    1.22854  0.967156     1.19894  0.694195 0.329001  0.850814 0.371928  
1 1 1 51 35 23 o 0.962559 0.359752  1.54907      0.93138  2.69387      1.31435  0.394374     1.32001  1.14658  0.427593  0.752516 0.352266  
1 1 1 51 35 24 o 0.473284 0.236916  -1.87399     0.969371 -0.738135    1.41138  -2.88826     1.33371  0.656377 0.321135  0.51507  0.260537  
1 1 1 51 35 25 o 2.00692  0.285312  5.75966      1.1452   6.48233      1.60885  5.01744      1.63046  1.70604  0.460696  1.32657  0.478695  
1 1 1 51 36 0  o 3.09751  0.140959  9.74133      0.869127 9.74133      0.869127 9.74133      0.869127 3.10939  0.0990519 ?        ?         
1 1 1 51 36 1  o 1.97819  0.145809  3.99046      0.576875 4.85218      0.748827 2.73249      0.904766 2.17303  0.1723    1.56856  0.299142  
1 1 1 51 36 2  o 2.52068  0.150157  6.48862      0.756998 6.15473      1.19633  6.71157      0.9776   2.41216  0.24798   2.54697  0.191914  
1 1 1 51 36 3  o 2.63069  0.138285  7.04786      0.727569 5.72402      1.07252  8.17643      0.990268 2.33412  0.229749  2.81801  0.175703  
1 1 1 51 36 4  o 1.50154  0.239977  2.38369      0.720672 2.05261      1.18111  2.58006      0.909623 1.31145  0.407633  1.51332  0.311208  
1 1 1 51 36 5  o 1.48987  0.289254  2.47361      0.83114  4.62525      1.24397  0.738583     1.11707  2.05638  0.302466  0.956488 0.383656  
1 1 1 51 36 6  o 3.81243  0.123525  14.772       0.941864 15.3478      1.36335  14.2462      1.30271  3.85369  0.176889  3.71384  0.175386  
1 1 1 51 36 7  o 0.568928 0.268537  -0.780043    0.809874 -1.69246     1.18856  0.0107418    1.10651  0.622212 0.302252  0.804361 0.354396  
1 1 1 51 36 8  o 2.47463  0.173857  6.33958      0.860465 5.937        1.1849   6.78875      1.25161  2.35109  0.251989  2.51634  0.248696  
1 1 1 51 36 9  o 2.56053  0.172112  6.79264      0.881395 6.46637      1.22267  7.14562      1.27174  2.45236  0.249284  2.57997  0.246464  
1 1 1 51 36 10 o 1.41323  0.300926  2.28696      0.825219 3.01052      1.18392  1.60326      1.15085  1.57292  0.380039  1.15916  0.403741  
1 1 1 51 36 11 o 2.46988  0.171853  6.33307      0.848914 6.04946      1.19855  6.61857      1.20255  2.36299  0.25361   2.47986  0.242463  
1 1 1 51 36 12 o 0.53315  0.256193  -0.967637    0.794668 -0.892096    1.11602  -1.04533     1.13181  0.668718 0.315518  0.657017 0.313289  
1 1 1 51 36 13 o 2.12242  0.196852  4.76587      0.835604 6.40794      1.20042  3.22223      1.16388  2.42314  0.247698  1.61642  0.368133  
1 1 1 51 36 14 o 0.737789 0.310223  0.298452     0.777645 -0.0170223   1.10862  0.604035     1.0911   0.774504 0.346738  0.882617 0.369103  
1 1 1 51 36 15 o 2.16035  0.19567   4.98968      0.84543  5.45837      1.17699  4.49011      1.21516  2.19808  0.267733  1.95498  0.310784  
1 1 1 51 36 16 o 1.16054  0.328287  1.68121      0.796091 1.51227      1.11621  1.85611      1.13573  1.08039  0.395459  1.17261  0.401771  
1 1 1 51 36 17 o 1.30083  0.305636  2.07007      0.782549 1.2564       1.08681  2.94613      1.12771  1.0024   0.384861  1.48849  0.377973  
1 1 1 51 36 18 o 0.519883 0.251798  -0.991248    0.813887 -0.15459     1.15391  -1.81954     1.14813  0.732861 0.337833  0.564899 0.278806  
1 1 1 51 36 19 o 0.5541   0.266011  -0.768519    0.851776 -0.0486107   1.14074  -1.67569     1.28053  0.731026 0.336564  0.606049 0.298498  
1 1 1 51 36 20 o 1.54704  0.316651  3.11143      0.945952 2.85791      1.33087  3.37029      1.34479  1.30972  0.43492   1.44472  0.432176  
1 1 1 51 36 21 o 0.674015 0.301799  0.202713     0.840179 0.856445     1.19733  -0.431446    1.17927  0.840393 0.369489  0.66631  0.318212  
1 1 1 51 36 22 f 1.03014  0.35574   1.72795      0.891841 1.51365      1.32723  1.90437      1.20423  0.913733 0.395308  1.00328  0.39989   
1 1 1 51 36 23 o 1.4032   0.355677  3.02939      0.999929 2.94298      1.46854  3.10409      1.36532  1.15235  0.446286  1.2288   0.438578  
1 1 1 51 36 24 o 0.803361 0.346898  1.17977      1.01838  4.32981      1.58099  -1.05408     1.33137  1.24447  0.467998  0.587312 0.291925  
1 1 1 51 37 0  o 2.71476  0.178169  7.58842      0.957811 7.58842      0.957811 7.58842      0.957811 2.73501  0.124402  ?        ?         
1 1 1 51 37 1  o 0.720732 0.2779    0.419592     0.568114 0.648187     0.721842 0.0475341    0.920904 0.839159 0.3161    0.751824 0.327327  
1 1 1 51 37 2  o 3.22518  0.126056  10.5825      0.813107 10.1876      1.3307   10.8179      1.02717  3.11489  0.213604  3.24482  0.158278  
1 1 1 51 37 3  o 3.83478  0.114453  14.92        0.877803 15.483       1.43605  14.5842      1.10914  3.86092  0.185973  3.77364  0.146959  
1 1 1 51 37 4  o 2.71389  0.151079  7.55631      0.820024 6.45657      1.34146  8.21245      1.03616  2.43781  0.275135  2.81176  0.184255  
1 1 1 51 37 5  o 2.65338  0.165098  7.26366      0.876137 6.36297      1.31339  7.98583      1.17605  2.42093  0.271257  2.75377  0.213534  
1 1 1 51 37 6  o 1.2359   0.327508  1.78453      0.822693 2.47271      1.22534  1.21971      1.1101   1.41006  0.41004   1.05917  0.393371  
1 1 1 51 37 7  o 1.53842  0.274915  2.6436       0.815363 2.61803      1.13647  2.67072      1.17048  1.46444  0.383494  1.47466  0.390587  
1 1 1 51 37 8  f 1.14081  0.337708  1.52949      0.824055 1.33357      1.13905  1.74464      1.19364  1.08677  0.39932   1.19821  0.411768  
1 1 1 51 37 9  o 0.958196 0.338676  1.00461      0.812387 0.628764     1.13535  1.39894      1.16293  0.918706 0.379852  1.1018   0.403615  
1 1 1 51 37 10 o 3.45552  0.137148  12.243       0.947833 14.3136      1.33045  10.1089      1.35066  3.7034   0.179625  3.08092  0.219197  
1 1 1 51 37 11 o 0.795655 0.322007  0.48292      0.796881 0.023619     1.12272  0.949222     1.13125  0.794585 0.352636  0.97688  0.388143  
1 1 1 51 37 12 o 0.655429 0.293215  -0.121316    0.791493 -0.689184    1.09857  0.491612     1.14133  0.680161 0.318925  0.875403 0.372294  
1 1 1 51 37 13 o 0.898067 0.33591   0.874676     0.812331 0.608307     1.16107  1.13009      1.13693  0.892918 0.377427  1.00018  0.391579  
1 1 1 51 37 14 o 0.716775 0.306452  0.237193     0.780604 -0.804861    1.10905  1.26027      1.0989   0.660301 0.312774  1.01877  0.388197  
1 1 1 51 37 15 f 1.88673  0.21573   3.87604      0.81405  3.40843      1.15226  4.34198      1.15022  1.63412  0.362151  1.92697  0.298453  
1 1 1 51 37 16 o 0.824464 0.324197  0.699074     0.781658 1.21207      1.10255  0.180669     1.10834  0.988993 0.385936  0.784309 0.349024  
1 1 1 51 37 17 o 0.904904 0.339836  1.01046      0.833086 0.0477775    1.11054  2.24942      1.25986  0.749649 0.340512  1.21313  0.422439  
1 1 1 51 37 18 o 0.499063 0.245809  -1.35718     0.865872 -1.32981     1.16481  -1.39099     1.29448  0.599886 0.293086  0.630669 0.308321  
1 1 1 51 37 19 f 1.13331  0.359606  1.8467       0.913697 1.09108      1.26321  2.6758       1.3232   0.91985  0.391447  1.2649   0.43365   
1 1 1 51 37 20 o 1.32461  0.330026  2.45388      0.872126 2.45557      1.3066   2.45251      1.17122  1.16264  0.427634  1.20229  0.408001  
1 1 1 51 37 21 o 0.617551 0.287995  -0.105284    0.87036  -1.09955     1.30059  0.70112      1.17129  0.616832 0.303688  0.786154 0.354008  
1 1 1 51 37 22 o 0.951939 0.366546  1.54917      0.987656 1.42712      1.43671  1.65853      1.35996  0.890451 0.396786  0.930347 0.401293  
1 1 1 51 37 23 o 0.504943 0.251074  -1.33572     0.989264 -1.24803     1.45584  -1.41094     1.34839  0.606427 0.301955  0.57865  0.288469  
1 1 1 51 38 0  o 1.36961  0.39557   2.42165      0.938927 2.42165      0.938927 2.42165      0.938927 1.47755  0.244973  ?        ?         
1 1 1 51 38 1  o 0.919481 0.288     0.940704     0.588066 0.677026     0.74183  1.38662      0.964704 0.847668 0.320132  1.09433  0.370287  
1 1 1 51 38 2  o 5.40633  0.102043  29.5987      1.10336  27.6238      1.62037  31.3061      1.50661  5.17971  0.156415  5.53348  0.136136  
1 1 1 51 38 3  o 0.93811  0.321717  0.961596     0.728322 0.68046      1.18329  1.13307      0.924113 0.944391 0.388812  1.01365  0.360918  
1 1 1 51 38 4  o 2.45949  0.159808  6.23969      0.786092 7.63205      1.3555   5.53412      0.964923 2.65826  0.25496   2.29073  0.210615  
1 1 1 51 38 5  o 2.01391  0.212866  4.28499      0.857387 4.67678      1.26538  3.95244      1.16579  2.04382  0.309561  1.87841  0.310315  
1 1 1 51 38 6  o 1.20015  0.329174  1.69533      0.81352  1.01245      1.16485  2.34554      1.13665  1.00879  0.396054  1.37497  0.393339  
1 1 1 51 38 7  o 1.47438  0.279773  2.45272      0.795113 2.08977      1.13077  2.80767      1.11825  1.29376  0.398191  1.51796  0.370972  
1 1 1 51 38 8  o 0.935519 0.335012  0.949666     0.797228 1.71335      1.11635  0.154847     1.13889  1.17943  0.398329  0.825575 0.361681  
1 1 1 51 38 9  o 2.30096  0.18258   5.54853      0.840221 5.97604      1.19359  5.12858      1.18299  2.33756  0.255307  2.15076  0.275015  
1 1 1 51 38 10 o 2.81475  0.155333  8.21528      0.87445  6.59233      1.21248  9.9745       1.26235  2.45575  0.246865  3.06034  0.206243  
1 1 1 51 38 11 o 0.535678 0.256275  -0.831944    0.773459 -2.48427     1.09411  0.818739     1.09356  0.516338 0.257748  0.92756  0.376464  
1 1 1 51 38 12 o 0.755896 0.315076  0.381728     0.791056 0.104219     1.10086  0.678008     1.13748  0.784523 0.348551  0.896635 0.376018  
1 1 1 51 38 13 f 0.676843 0.300306  -0.00159677  0.813533 1.01248      1.17758  -0.927504    1.12522  0.966106 0.391253  0.651235 0.31097   
1 1 1 51 38 14 o 2.15138  0.203349  4.99859      0.874966 5.55984      1.21439  4.39271      1.26175  2.20162  0.275794  1.87307  0.349806  
1 1 1 51 38 15 o 0.899329 0.337844  0.953327     0.823465 0.840775     1.13513  1.07835      1.19639  0.905144 0.377366  0.959973 0.392372  
1 1 1 51 38 16 o 1.19005  0.337357  1.88173      0.839812 1.74801      1.17449  2.02163      1.20131  1.09153  0.404772  1.15834  0.411597  
1 1 1 51 38 17 o 1.01231  0.341899  1.40631      0.822456 0.668561     1.12964  2.2385       1.19978  0.839083 0.363878  1.19204  0.412516  
1 1 1 51 38 18 o 0.931002 0.345681  1.17677      0.857146 0.729952     1.2228   1.60841      1.20185  0.854019 0.374451  1.02413  0.402226  
1 1 1 51 38 19 o 0.538855 0.259795  -0.72944     0.834111 0.611455     1.20747  -1.95333     1.15359  0.806023 0.361332  0.536544 0.267386  
1 1 1 51 38 20 o 1.02333  0.344703  1.64103      0.836004 2.24384      1.20259  1.07729      1.16298  1.08877  0.40842   0.848456 0.368593  
1 1 1 51 38 21 o 0.538573 0.263298  -0.938318    0.944028 -2.16299     1.36518  0.183936     1.30685  0.559914 0.280655  0.727273 0.342643  
1 1 1 51 38 22 o 0.779976 0.339267  0.912215     0.987596 1.73751      1.44702  0.192549     1.35124  0.890431 0.397452  0.708096 0.338754  
1 1 1 51 39 0  o 0.444662 0.30829   -0.480759    0.883987 -0.480759    0.883987 -0.480759    0.883987 0.357105 0.249708  ?        ?         
1 1 1 51 39 1  o 1.74046  0.175072  3.14815      0.609412 2.83976      0.773163 3.65404      0.990251 1.62715  0.237582  1.82725  0.270967  
1 1 1 51 39 2  o 3.84644  0.132923  15.1323      1.02256  14.8047      1.61745  15.3504      1.31976  3.73601  0.216468  3.84532  0.171606  
1 1 1 51 39 3  o 1.71474  0.232838  3.14842      0.798514 1.61453      1.33024  4.01249      0.998403 1.1626   0.430845  1.91986  0.26002   
1 1 1 51 39 4  o 2.19545  0.218099  5.12437      0.957653 6.42632      1.39243  3.95578      1.31919  2.40418  0.289586  1.80308  0.377936  
1 1 1 51 39 5  o 0.843572 0.336122  0.599238     0.850525 -0.242321    1.18893  1.4813       1.21721  0.77697  0.352763  1.1192   0.412641  
1 1 1 51 39 6  o 1.61001  0.253935  2.82813      0.817676 2.98267      1.15005  2.67015      1.16279  1.55486  0.373866  1.45609  0.390966  
1 1 1 51 39 7  o 0.710446 0.308773  0.0965       0.816791 -0.556836    1.15198  0.757001     1.15828  0.71804  0.333491  0.937446 0.385102  
1 1 1 51 39 8  o 1.00773  0.343999  1.19575      0.83259  0.875239     1.15349  1.54435      1.20299  0.956014 0.387204  1.11798  0.410414  
1 1 1 51 39 9  o 0.68631  0.302433  0.0188021    0.806269 -0.133623    1.1042   0.192884     1.18004  0.75479  0.341591  0.827156 0.36501   
1 1 1 51 39 10 f 1.65319  0.250132  3.03129      0.827029 2.25783      1.13477  3.90757      1.20784  1.30128  0.398567  1.77692  0.352397  
1 1 1 51 39 11 o 0.825733 0.32857   0.646473     0.811731 0.950967     1.13475  0.327372     1.16165  0.949171 0.384205  0.833872 0.365297  
1 1 1 51 39 12 o 2.51902  0.18305   6.74985      0.922211 4.74053      1.25442  9.11313      1.36043  1.99906  0.313753  2.87014  0.236997  
1 1 1 51 39 13 o 2.27369  0.20432   5.59847      0.929121 5.83173      1.32121  5.37025      1.30686  2.22761  0.296553  2.12592  0.307364  
1 1 1 51 39 14 o 0.933397 0.348421  1.08018      0.873094 0.338679     1.22666  1.84153      1.24298  0.824259 0.366981  1.12444  0.41652   
1 1 1 51 39 15 f 0.601157 0.278238  -0.29048     0.792992 -1.1422      1.14996  0.481747     1.09498  0.616535 0.298807  0.810997 0.354972  
1 1 1 51 39 16 f 0.562889 0.265376  -0.498748    0.786478 -0.106389    1.13256  -0.86417     1.09299  0.719178 0.332729  0.62084  0.298847  
1 1 1 51 39 17 o 0.565356 0.267817  -0.533593    0.813247 -1.14732     1.14171  0.0985158    1.15868  0.604633 0.294424  0.747027 0.341941  
1 1 1 51 39 18 o 0.858418 0.334729  1.01833      0.829056 1.2163       1.18752  0.830091     1.15796  0.904531 0.381988  0.833953 0.365029  
1 1 1 51 39 19 o 0.969576 0.344995  1.48157      0.844248 2.21977      1.22765  0.819217     1.16288  1.07529  0.41014   0.804962 0.357882  
1 1 1 51 39 20 o 1.19624  0.366513  2.34944      0.959478 1.9089       1.45953  2.68471      1.27328  0.958642 0.414637  1.15724  0.422486  
1 1 1 51 39 21 o 0.739999 0.326395  0.679174     0.942064 1.64838      1.38278  -0.160333    1.28694  0.892584 0.394342  0.671767 0.323586  
1 1 1 51 40 0  o 0.699276 0.405631  0.761697     0.910164 0.761697     0.910164 0.761697     0.910164 0.686141 0.359742  ?        ?         
1 1 1 51 40 1  o 2.61552  0.14572   7.0497       0.76227  7.36651      1.16917  6.81546      1.00532  2.62227  0.222931  2.54028  0.197875  
1 1 1 51 40 2  o 1.93332  0.193662  3.9413       0.748821 3.03885      1.1645   4.57754      0.977784 1.56475  0.376185  2.05704  0.237668  
1 1 1 51 40 3  o 1.10093  0.356728  1.46745      0.895695 2.15097      1.35651  0.939089     1.19266  1.27649  0.438933  0.981428 0.395276  
1 1 1 51 40 4  o 1.99672  0.226931  4.29701      0.906235 3.28793      1.28876  5.284        1.27458  1.60052  0.402655  2.16162  0.29482   
1 1 1 51 40 5  f 0.766496 0.324295  0.306904     0.858505 0.151331     1.20777  0.465787     1.22055  0.832223 0.367997  0.887892 0.381522  
1 1 1 51 40 6  o 0.718974 0.312749  0.121549     0.839315 -0.446959    1.19785  0.669857     1.17638  0.74015  0.342338  0.913406 0.382692  
1 1 1 51 40 7  o 1.19434  0.339841  1.76392      0.850681 1.63246      1.24483  1.8791       1.1652   1.12745  0.416991  1.19448  0.406951  
1 1 1 51 40 8  o 1.47292  0.298762  2.5684       0.849433 1.29732      1.18697  3.90266      1.21612  1.03638  0.401257  1.76977  0.356093  
1 1 1 51 40 9  f 0.872153 0.338243  0.798074     0.844174 1.12766      1.19135  0.465717     1.19635  0.994163 0.397272  0.864687 0.374717  
1 1 1 51 40 10 o 2.32907  0.19058   5.79737      0.887751 5.46772      1.27758  6.10514      1.23446  2.16814  0.294626  2.32146  0.265881  
1 1 1 51 40 11 o 1.40897  0.312875  2.42325      0.858463 1.52172      1.22068  3.30544      1.20752  1.07622  0.409418  1.5794   0.38519   
1 1 1 51 40 12 o 0.725479 0.312946  0.263469     0.82717  0.0271355    1.17954  0.492148     1.16028  0.774314 0.351507  0.844332 0.367505  
1 1 1 51 40 13 o 2.06033  0.213565  4.70351      0.880028 4.17661      1.29603  5.15429      1.19875  1.7499   0.380925  2.07484  0.288878  
1 1 1 51 40 14 o 0.676779 0.299261  0.139711     0.79871  0.880026     1.14255  -0.56784     1.11698  0.886131 0.374474  0.663244 0.314037  
1 1 1 51 40 15 o 0.910378 0.330979  1.0884       0.78074  1.11506      1.1043   1.06176      1.10397  0.922187 0.376955  0.911012 0.375394  
1 1 1 51 40 16 o 1.39696  0.307361  2.53226      0.835516 3.30631      1.20868  1.82389      1.15626  1.47879  0.399304  1.07566  0.401073  
1 1 1 51 40 17 o 0.930775 0.340919  1.28851      0.829673 1.78994      1.18498  0.806308     1.16203  1.01536  0.399198  0.823433 0.362939  
1 1 1 51 40 18 o 0.499973 0.244267  -0.917444    0.808994 -1.03619     1.17541  -0.810564    1.11515  0.5942   0.291305  0.598968 0.291529  
1 1 1 51 40 19 o 0.750427 0.321234  0.681958     0.859573 0.919675     1.21478  0.443579     1.21647  0.813938 0.363713  0.747586 0.345476  
1 1 1 51 40 20 o 0.791652 0.332804  0.937279     0.894682 0.263528     1.30206  1.53992      1.23143  0.716855 0.33925   0.890495 0.38295   
1 1 1 51 41 0  o 3.25371  0.19546   11.0231      1.26143  11.0231      1.26143  11.0231      1.26143  3.28707  0.136209  ?        ?         
1 1 1 51 41 1  o 1.83891  0.24012   3.69869      0.883116 3.39768      1.15666  4.11944      1.36748  1.65526  0.359461  1.79546  0.391663  
1 1 1 51 41 2  o 0.779351 0.320909  0.439448     0.806186 2.82651      1.17369  -1.69275     1.10927  1.47563  0.391252  0.57939  0.283756  
1 1 1 51 41 3  o 2.54514  0.181792  6.83654      0.925374 8.26066      1.36559  5.62735      1.25833  2.73376  0.249765  2.22686  0.282534  
1 1 1 51 41 4  o 2.49425  0.183118  6.58047      0.913487 6.24788      1.28914  6.91588      1.29461  2.35126  0.274138  2.48804  0.260167  
1 1 1 51 41 5  o 1.07911  0.338292  1.44464      0.811143 1.64965      1.15397  1.24442      1.14041  1.12331  0.402977  1.02008  0.393647  
1 1 1 51 41 6  o 0.905293 0.335861  0.924029     0.808811 1.0561       1.15275  0.795972     1.13511  0.975323 0.39035   0.917445 0.379601  
1 1 1 51 41 7  o 0.925546 0.337201  0.995191     0.810738 0.390881     1.154    1.58416      1.13926  0.84185  0.366468  1.10088  0.399856  
1 1 1 51 41 8  o 0.593902 0.277126  -0.468539    0.807378 -0.464609    1.1547   -0.472297    1.12933  0.712568 0.332079  0.704125 0.328247  
1 1 1 51 41 9  f 0.773234 0.320952  0.454356     0.815506 -0.879557    1.20621  1.57745      1.10679  0.677752 0.323235  1.09201  0.394365  
1 1 1 51 41 10 o 2.53969  0.171626  6.84888      0.871754 6.72166      1.24811  6.97006      1.21813  2.42957  0.256858  2.48799  0.244801  
1 1 1 51 41 11 o 0.679117 0.299858  0.106464     0.797969 0.704485     1.15131  -0.446408    1.10699  0.871055 0.372285  0.684644 0.320869  
1 1 1 51 41 12 o 1.98478  0.215132  4.39634      0.853977 3.64744      1.20471  5.15274      1.21073  1.62326  0.377815  2.05854  0.294074  
1 1 1 51 41 13 o 0.537854 0.258929  -0.801569    0.821061 -1.37866     1.18404  -0.267034    1.13955  0.600982 0.294057  0.700453 0.327771  
1 1 1 51 41 14 o 1.60836  0.263056  3.08399      0.846175 2.37814      1.20847  3.76294      1.18521  1.22053  0.414438  1.63882  0.370296  
1 1 1 51 41 15 o 0.421811 0.212241  -1.92885     0.792474 -1.27178     1.13576  -2.55225     1.10628  0.589002 0.28815   0.492259 0.247811  
1 1 1 51 41 16 o 0.636186 0.289591  0.0625495    0.81269  -0.0678881   1.14347  0.195689     1.15525  0.691004 0.324255  0.726593 0.336117  
1 1 1 51 41 17 o 0.726336 0.312915  0.573484     0.82499  0.377985     1.17961  0.760659     1.15423  0.738343 0.340822  0.79038  0.353823  
1 1 1 51 41 18 o 1.08911  0.349942  1.89187      0.863262 3.04464      1.20688  0.684205     1.23528  1.28566  0.413837  0.782401 0.356384  
1 1 1 51 41 19 o 0.827462 0.336702  1.09875      0.877036 0.0573471    1.25336  2.09791      1.22767  0.687627 0.328312  0.995564 0.401009  
1 1 1 51 42 0  o 0.518877 0.360823  -0.619353    1.26125  -0.619353    1.26125  -0.619353    1.26125  0.423135 0.296561  ?        ?         
1 1 1 51 42 1  o 0.956379 0.35638   1.07083      0.91265  -0.179952    1.26578  2.42514      1.31712  0.782233 0.357779  1.30929  0.432667  
1 1 1 51 42 2  o 2.87768  0.16364   8.69212      0.941808 8.97378      1.30622  8.38715      1.3592   2.86108  0.228273  2.7448   0.247596  
1 1 1 51 42 3  o 1.55943  0.30665   2.91351      0.92232  3.07576      1.34266  2.76854      1.26916  1.48145  0.428711  1.41311  0.419265  
1 1 1 51 42 4  o 0.768475 0.326947  0.351928     0.880835 1.56425      1.24236  -0.873455    1.24904  1.09334  0.413883  0.693935 0.330228  
1 1 1 51 42 5  o 2.58636  0.175514  7.08268      0.907883 7.68042      1.28361  6.48433      1.28427  2.62625  0.244381  2.38753  0.268953  
1 1 1 51 42 6  f 1.51118  0.290759  2.70856      0.847422 3.70265      1.21795  1.77572      1.17983  1.69409  0.369701  1.14204  0.40769   
1 1 1 51 42 7  o 1.55031  0.279988  2.8295       0.836349 2.57727      1.19837  3.06901      1.16778  1.35745  0.408355  1.51466  0.384635  
1 1 1 51 42 8  o 0.656741 0.297023  -0.0981915   0.833525 0.690716     1.20218  -0.828526    1.1567   0.885181 0.379439  0.661035 0.315563  
1 1 1 51 42 9  o 1.65706  0.264968  3.19228      0.878137 3.01377      1.26425  3.3587       1.22065  1.43232  0.416494  1.55014  0.393008  
1 1 1 51 42 10 o 1.58993  0.264926  2.969        0.842425 3.27711      1.22694  2.69419      1.15872  1.50487  0.400496  1.3556   0.400199  
1 1 1 51 42 11 o 0.937077 0.344947  1.16576      0.850312 1.67008      1.2899   0.778173     1.1308   1.04719  0.414975  0.862217 0.368745  
1 1 1 51 42 12 o 1.50145  0.290348  2.81656      0.840765 2.41653      1.18863  3.21713      1.18941  1.23946  0.411022  1.47538  0.395086  
1 1 1 51 42 13 o 0.824903 0.334933  0.792441     0.865941 0.859255     1.29308  0.738113     1.16601  0.879683 0.385387  0.846803 0.368493  
1 1 1 51 42 14 o 1.15801  0.335554  1.91063      0.822016 1.55051      1.14     2.30068      1.1864   0.986189 0.390334  1.16391  0.409492  
1 1 1 51 42 15 o 1.06728  0.34582   1.75496      0.841757 0.803514     1.16509  2.79389      1.21748  0.810941 0.359646  1.24057  0.41598   
1 1 1 51 42 16 o 1.15746  0.341191  2.06912      0.84282  3.17435      1.21071  1.02993      1.17399  1.31649  0.413415  0.830047 0.365401  
1 1 1 51 42 17 o 0.548402 0.263405  -0.550994    0.837736 -0.382245    1.16259  -0.733247    1.20821  0.6476   0.310869  0.624233 0.303707  
1 1 1 51 42 18 o 0.539514 0.26112   -0.59428     0.869354 0.319363     1.20781  -1.57648     1.2523   0.70413  0.331056  0.554451 0.276629  
1 1 1 51 43 0  f 1.09399  0.521688  2.17329      1.2963   2.17329      1.2963   2.17329      1.2963   1.23514  0.41621   ?        ?         
1 1 1 51 43 1  o 0.830209 0.340143  0.616239     0.901228 0.9117       1.24876  0.295064     1.30196  0.946467 0.395276  0.850123 0.378299  
1 1 1 51 43 2  o 1.01646  0.355591  1.30373      0.893549 0.3284       1.26919  2.26226      1.25821  0.847642 0.375716  1.259    0.422881  
1 1 1 51 43 3  o 1.38203  0.333212  2.40766      0.911627 2.25318      1.28189  2.56573      1.29671  1.24818  0.426842  1.32967  0.429057  
1 1 1 51 43 4  f 1.62642  0.299482  3.19001      0.937666 2.50009      1.36771  3.80185      1.288    1.29065  0.440898  1.67918  0.390546  
1 1 1 51 43 5  o 0.444972 0.222486  -2.02932     0.84465  -1.47449     1.13668  -2.71344     1.26219  0.592275 0.289404  0.545584 0.272792  
1 1 1 51 43 6  o 1.09181  0.354793  1.59789      0.885661 2.6375       1.21342  0.412605     1.29565  1.34109  0.412432  0.845902 0.376873  
1 1 1 51 43 7  o 0.704389 0.309798  0.185038     0.842293 0.0714729    1.16717  0.308454     1.21674  0.765206 0.347979  0.80983  0.362885  
1 1 1 51 43 8  o 0.673834 0.301528  0.0559529    0.837505 -0.446459    1.16184  0.599403     1.20835  0.691003 0.324829  0.847846 0.371985  
1 1 1 51 43 9  o 1.0719   0.346212  1.58742      0.844157 1.51783      1.17393  1.66194      1.21475  1.01745  0.397989  1.04827  0.405912  
1 1 1 51 43 10 o 0.641353 0.291378  -0.0513627   0.814051 -0.0247531   1.1308   -0.0799874   1.17284  0.728694 0.335324  0.730665 0.338254  
1 1 1 51 43 11 o 0.786333 0.325449  0.641672     0.834745 0.5851       1.17863  0.698606     1.18239  0.824794 0.364273  0.844074 0.369164  
1 1 1 51 43 12 o 0.711513 0.31154   0.325037     0.844046 -0.66528     1.16798  1.40749      1.22111  0.652429 0.3128    0.966435 0.395941  
1 1 1 51 43 13 o 1.27398  0.33947   2.37271      0.88083  2.51578      1.28153  2.2446       1.21268  1.15954  0.423802  1.1122   0.411527  
1 1 1 51 43 14 o 0.681681 0.304531  0.309834     0.851102 -1.18445     1.20788  1.78334      1.19945  0.591075 0.291141  0.984073 0.396376  
1 1 1 51 43 15 o 1.01777  0.345687  1.67002      0.840784 1.51217      1.16538  1.84138      1.21422  0.91424  0.381836  0.974287 0.396266  
1 1 1 51 43 16 o 0.612198 0.285469  -0.0806127   0.854882 0.625997     1.21073  -0.783166    1.20725  0.768794 0.350916  0.615926 0.300429  
1 1 1 51 43 17 o 0.60391  0.28295   -0.00238532  0.858549 -0.120402    1.19605  0.123066     1.23315  0.647044 0.311744  0.676004 0.323452  
1 1 1 51 44 0  o 0.540597 0.375827  -0.503022    1.36049  -0.503022    1.36049  -0.503022    1.36049  0.450661 0.313605  ?        ?         
1 1 1 51 44 1  o 0.704029 0.313924  0.0896194    0.900635 0.496541     1.25514  -0.342286    1.29309  0.848664 0.375221  0.742389 0.347727  
1 1 1 51 44 2  o 1.02231  0.357849  1.40616      0.905046 2.60104      1.27671  0.199168     1.28317  1.30458  0.425978  0.807675 0.366643  
1 1 1 51 44 3  o 0.893385 0.352623  0.956583     0.927977 -0.377107    1.33905  2.18898      1.2872   0.745386 0.349976  1.1893   0.425709  
1 1 1 51 44 4  f 1.56122  0.307441  3.05557      0.925771 3.55466      1.37536  2.64212      1.25182  1.52393  0.431635  1.3109   0.42142   
1 1 1 51 44 5  o 0.896799 0.348818  1.00496      0.899152 2.11147      1.25749  -0.152629    1.28618  1.16194  0.420283  0.753993 0.351033  
1 1 1 51 44 6  o 2.64137  0.18663   7.61923      0.985917 5.95395      1.37873  9.36191      1.4104   2.16922  0.317794  2.83822  0.248467  
1 1 1 51 44 7  o 0.95597  0.347178  1.24216      0.858832 1.46259      1.15216  0.966534     1.28836  1.00156  0.393676  0.906194 0.390727  
1 1 1 51 44 8  o 1.76655  0.257911  3.69356      0.911228 2.64027      1.24186  4.92213      1.34121  1.28518  0.420124  1.88858  0.368221  
1 1 1 51 44 9  o 1.52349  0.297269  2.94127      0.873455 3.96099      1.21114  1.83611      1.26086  1.67798  0.370797  1.06916  0.413638  
1 1 1 51 44 10 o 0.642253 0.292782  -0.0501108   0.837394 -0.629859    1.14767  0.609931     1.22457  0.65193  0.311959  0.825717 0.367177  
1 1 1 51 44 11 f 0.769297 0.324435  0.670922     0.854723 0.837154     1.17548  0.484434     1.24504  0.831995 0.365948  0.785149 0.357676  
1 1 1 51 44 12 o 0.677884 0.304054  0.267884     0.856032 0.215881     1.20442  0.32097      1.2169   0.73019  0.339851  0.745235 0.344827  
1 1 1 51 44 13 o 1.35991  0.330269  2.7122       0.890599 2.1474       1.30712  3.20159      1.21672  1.02735  0.413793  1.32411  0.414168  
1 1 1 51 44 14 o 0.618171 0.288344  -0.0802292   0.873043 0.157338     1.19137  -0.355767    1.28306  0.708985 0.332383  0.670018 0.32283   
1 1 1 51 44 15 o 0.873588 0.354194  1.27782      0.966626 0.313802     1.34322  2.31331      1.39212  0.734255 0.346355  1.02003  0.421115  
1 1 1 51 44 16 o 0.570306 0.273567  -0.260773    0.896246 0.209412     1.31373  -0.670124    1.2258   0.675967 0.325935  0.592864 0.292003  
1 1 1 51 45 0  o 1.45632  0.490643  3.28358      1.27395  3.28358      1.27395  3.28358      1.27395  1.65978  0.30099   ?        ?         
1 1 1 51 45 1  o 0.712081 0.315997  0.204146     0.901305 0.888691     1.27194  -0.486226    1.27735  0.892662 0.386601  0.707972 0.335503  
1 1 1 51 45 2  o 2.26667  0.203579  5.71555      0.922897 4.56348      1.29106  6.91943      1.31976  1.8224   0.367106  2.39718  0.275274  
1 1 1 51 45 3  o 0.585732 0.277953  -0.574906    0.879386 -0.481389    1.25797  -0.664279    1.22979  0.703121 0.333084  0.677587 0.323921  
1 1 1 51 45 4  o 0.911429 0.353797  1.09682      0.92404  0.0466983    1.35077  2.0205       1.26685  0.780903 0.362084  1.12038  0.419403  
1 1 1 51 45 5  o 1.37358  0.338545  2.55575      0.925296 2.26814      1.30517  2.84638      1.31199  1.1711   0.427725  1.31798  0.431823  
1 1 1 51 45 6  o 0.635889 0.294627  -0.220813    0.892227 -0.840657    1.27686  0.370626     1.24726  0.667895 0.321867  0.801396 0.362844  
1 1 1 51 45 7  o 1.78953  0.257271  3.81576      0.920787 3.75058      1.30972  3.87946      1.29479  1.5588   0.413302  1.6037   0.403679  
1 1 1 51 45 8  o 1.05542  0.360572  1.66852      0.914748 2.91485      1.29807  0.439031     1.28927  1.30274  0.429528  0.801373 0.364774  
1 1 1 51 45 9  o 0.934114 0.352908  1.33819      0.901782 1.55554      1.26714  1.11515      1.28365  0.955423 0.398541  0.877531 0.384215  
1 1 1 51 45 10 o 0.852233 0.338892  1.06024      0.863014 1.20977      1.16703  0.879793     1.28203  0.879673 0.375356  0.827545 0.371617  
1 1 1 51 45 11 o 0.627571 0.292272  -0.0587358   0.892572 -1.94719     1.20712  2.21928      1.32579  0.536732 0.268325  1.04302  0.418131  
1 1 1 51 45 12 o 0.605755 0.283499  -0.120864    0.853122 0.0778728    1.194    -0.328145    1.21939  0.697999 0.32846   0.659851 0.317144  
1 1 1 51 45 13 o 0.782723 0.332183  0.825036     0.905321 1.69233      1.27544  -0.0556533   1.28525  0.940027 0.396373  0.69793  0.333048  
1 1 1 51 45 14 o 0.553222 0.268302  -0.62375     0.92988  -0.796728    1.22891  -0.392049    1.42229  0.603603 0.296537  0.664516 0.324482  
1 1 1 51 45 15 o 0.491107 0.242974  -1.02408     0.885382 -1.58116     1.24129  -0.447122    1.26324  0.533904 0.267618  0.612041 0.300672  
1 1 1 51 46 0  o 2.43977  0.289412  6.86931      1.36716  6.86931      1.36716  6.86931      1.36716  2.5348   0.193275  ?        ?         
1 1 1 51 46 1  o 0.877463 0.34876   0.991036     0.913611 -0.382389    1.28608  2.39021      1.29808  0.713577 0.337446  1.19207  0.427425  
1 1 1 51 46 2  o 1.10104  0.353444  1.7395       0.880775 0.491043     1.2545   2.95315      1.23689  0.816059 0.366982  1.36127  0.415947  
1 1 1 51 46 3  f 1.07639  0.356787  1.68057      0.895645 0.441325     1.27534  2.88653      1.2581   0.81027  0.366882  1.33097  0.421936  
1 1 1 51 46 4  o 1.11943  0.358756  1.84385      0.907721 2.28899      1.32818  1.4537       1.24343  1.14565  0.429323  0.973283 0.399278  
1 1 1 51 46 5  o 0.672905 0.305642  0.0924512    0.894564 0.577718     1.26896  -0.386965    1.26128  0.812249 0.366965  0.693711 0.330771  
1 1 1 51 46 6  o 1.43733  0.335298  2.93361      0.947125 3.18805      1.35045  2.68731      1.32869  1.31242  0.438107  1.19413  0.43201   
1 1 1 51 46 7  o 1.14466  0.358471  2.05388      0.911113 2.33456      1.27832  1.76406      1.29895  1.10766  0.419675  0.982364 0.406244  
1 1 1 51 46 8  o 1.17131  0.358875  2.17339      0.919906 2.79298      1.30393  1.55944      1.29798  1.19413  0.428364  0.931585 0.39663   
1 1 1 51 46 9  o 0.606699 0.286449  -0.259834    0.92284  1.00022      1.33315  -1.41913     1.27874  0.830724 0.375678  0.586022 0.290434  
1 1 1 51 46 10 o 1.20725  0.362856  2.37128      0.946476 3.03312      1.35146  1.73419      1.32594  1.20649  0.435773  0.940609 0.400688  
1 1 1 51 46 11 o 1.05115  0.363402  1.84784      0.930895 1.9507       1.30142  1.74007      1.33208  0.990726 0.407801  0.947062 0.40247   
1 1 1 51 46 12 o 0.708608 0.320209  0.463491     0.966702 1.58552      1.36677  -0.659714    1.36748  0.892247 0.393398  0.64637  0.316207  
1 1 1 51 46 13 o 0.627606 0.295282  0.109816     0.964138 -0.368837    1.34341  0.618198     1.38451  0.632575 0.310537  0.71945  0.343877  
1 1 1 51 47 0  o 2.2344   0.326909  6.14803      1.36832  6.14803      1.36832  6.14803      1.36832  2.36694  0.208088  ?        ?         
1 1 1 51 47 1  o 1.27874  0.35711   2.49465      0.947948 2.97483      1.32047  1.98403      1.36168  1.25499  0.432915  1.01994  0.418028  
1 1 1 51 47 2  o 1.07357  0.361078  1.83994      0.917319 2.27532      1.30375  1.41309      1.29091  1.08791  0.420673  0.918519 0.393443  
1 1 1 51 47 3  o 0.686015 0.309753  0.255374     0.90282  -0.115209    1.30258  0.597986     1.25246  0.709436 0.337427  0.787872 0.358869  
1 1 1 51 47 4  o 0.703405 0.315682  0.348937     0.92393  1.19365      1.36124  -0.372628    1.25811  0.873217 0.387817  0.67346  0.323309  
1 1 1 51 47 5  o 1.45577  0.334751  3.07999      0.954882 2.64613      1.33292  3.53738      1.3686   1.14286  0.429731  1.34955  0.441041  
1 1 1 51 47 6  o 0.717679 0.320064  0.462597     0.936559 0.943766     1.32445  -0.0186298   1.32453  0.823094 0.373222  0.709969 0.338628  
1 1 1 51 47 7  o 1.4952   0.327026  3.24572      0.951045 3.75151      1.35976  2.76133      1.33068  1.38173  0.438714  1.14569  0.429649  
1 1 1 51 47 8  o 0.956193 0.361935  1.54258      0.95     1.48803      1.33876  1.59791      1.3483   0.902208 0.393717  0.91936  0.398098  
1 1 1 51 47 9  o 0.654275 0.302052  0.0914172    0.926863 0.322044     1.3305   -0.126028    1.29192  0.743051 0.348875  0.692091 0.33113   
1 1 1 51 47 10 o 0.740978 0.328193  0.653409     0.966014 1.68204      1.34854  -0.430777    1.38447  0.908219 0.395758  0.666895 0.324648  
1 1 1 51 47 11 o 0.679198 0.311845  0.43904      0.971932 -0.0329921   1.32891  0.981938     1.42517  0.662749 0.321209  0.764683 0.359551  
1 1 1 51 48 0  o 0.645683 0.423084  0.767711     1.31073  0.767711     1.31073  0.767711     1.31073  0.628496 0.387215  ?        ?         
1 1 1 51 48 1  o 1.20297  0.36658   2.38926      0.961579 2.47968      1.34313  2.29419      1.37727  1.07956  0.424823  1.03332  0.421444  
1 1 1 51 48 2  o 0.714997 0.319689  0.471269     0.93973  0.382677     1.31781  0.562927     1.34043  0.74577  0.349619  0.768854 0.358109  
1 1 1 51 48 3  o 0.745627 0.324899  0.648645     0.908813 1.43869      1.30696  -0.0910112   1.2646   0.891605 0.389053  0.69025  0.329616  
1 1 1 51 48 4  o 0.691429 0.313685  0.31782      0.936804 0.0174772    1.36238  0.5872       1.29024  0.716541 0.342159  0.771829 0.356343  
1 1 1 51 48 5  o 1.05163  0.367334  1.87269      0.953234 1.05962      1.35626  2.66644      1.34004  0.840135 0.379481  1.13342  0.429612  
1 1 1 51 48 6  o 1.95718  0.260672  4.87512      1.02036  4.56371      1.46207  5.17082      1.42468  1.54195  0.447743  1.73646  0.415226  
1 1 1 51 48 7  o 0.946865 0.36077   1.55802      0.949052 -0.000689296 1.32061  3.22282      1.36481  0.699998 0.334883  1.22571  0.438394  
1 1 1 51 48 8  o 0.644573 0.300599  0.119364     0.948239 -0.670226    1.34235  0.905807     1.33968  0.631642 0.310187  0.781327 0.361633  
1 1 1 51 48 9  o 0.802579 0.345943  1.21286      1.00935  -0.0734702   1.4133   2.55197      1.44201  0.659673 0.322422  0.953337 0.412239  
1 1 1 51 49 0  o 0.478698 0.341733  -0.715842    1.32758  -0.715842    1.32758  -0.715842    1.32758  0.400646 0.286312  ?        ?         
1 1 1 51 49 1  o 0.870946 0.358185  1.26978      1.00313  1.39848      1.44475  1.14998      1.3939   0.870194 0.392436  0.838075 0.380893  
1 1 1 51 49 2  o 1.04338  0.371828  1.93646      0.981017 2.03849      1.38778  1.83455      1.38696  0.969796 0.411412  0.93568  0.404445  
1 1 1 51 49 3  o 1.76618  0.288301  4.23184      1.01838  2.83877      1.43329  5.65215      1.44723  1.10212  0.437215  1.80806  0.409635  
1 1 1 51 49 4  o 0.834594 0.347337  1.16849      0.959029 1.44342      1.41419  0.93439      1.30494  0.853946 0.386515  0.788923 0.361854  
1 1 1 51 49 5  o 0.848517 0.349559  1.3015       0.957019 1.35868      1.35436  1.24447      1.3525   0.824215 0.374823  0.809553 0.37009   
1 1 1 51 49 6  o 0.655679 0.304277  0.342542     0.95647  0.0889722    1.38968  0.570778     1.31844  0.669642 0.325774  0.707662 0.337604  
1 1 1 51 49 7  o 0.647552 0.303542  0.262637     0.992369 0.532835     1.3586   -0.0464139   1.453    0.704666 0.337728  0.66349  0.3249    
1 1 1 51 50 0  o 0.998434 0.524567  2.69507      1.37065  2.69507      1.37065  2.69507      1.37065  1.26312  0.429113  ?        ?         
1 1 1 51 50 1  o 1.06959  0.378694  2.34722      1.0161   3.29614      1.37771  1.21538      1.50465  1.11019  0.431787  0.772279 0.365106  
1 1 1 52 0  0  o 5.88707  0.148483  34.7543      1.74575  34.7543      1.74575  34.7543      1.74575  5.89117  0.104844  ?        ?         
1 1 1 52 0  1  o 11.0672  0.125859  122.608      2.785    122.608      2.785    122.608      2.785    11.07    0.0889603 ?        ?         
1 1 1 52 0  2  o 14.106   0.147981  199.224      4.17381  199.224      4.17381  199.224      4.17381  14.1103  0.104594  ?        ?         
1 1 1 52 0  3  o 2.65564  0.145848  7.12231      0.769301 7.12231      0.769301 7.12231      0.769301 2.66227  0.102509  ?        ?         
1 1 1 52 0  4  o 0.786304 0.390078  0.920035     0.733787 0.920035     0.733787 0.920035     0.733787 0.811316 0.328451  ?        ?         
1 1 1 52 0  5  o 1.82708  0.210883  3.47627      0.747271 3.47627      0.747271 3.47627      0.747271 1.84668  0.145129  ?        ?         
1 1 1 52 0  6  o 9.6099   0.115226  92.4512      2.2139   92.4512      2.2139   92.4512      2.2139   9.61254  0.0814412 ?        ?         
1 1 1 52 0  7  f 3.8503   0.128089  14.8867      0.983889 14.8867      0.983889 14.8867      0.983889 3.85433  0.0903632 ?        ?         
1 1 1 52 0  8  o 7.19656  0.10788   51.8583      1.55194  51.8583      1.55194  51.8583      1.55194  7.19892  0.0762382 ?        ?         
1 1 1 52 0  9  o 3.29266  0.138824  10.9111      0.910505 10.9111      0.910505 10.9111      0.910505 3.29796  0.0978043 ?        ?         
1 1 1 52 0  10 o 4.67354  0.112954  21.8973      1.05439  21.8973      1.05439  21.8973      1.05439  4.6765   0.0797668 ?        ?         
1 1 1 52 0  11 o 0.494737 0.318382  0.0583987    0.69925  0.0583987    0.69925  0.0583987    0.69925  0.421241 0.269796  ?        ?         
1 1 1 52 0  12 o 3.93285  0.117137  15.5236      0.919515 15.5236      0.919515 15.5236      0.919515 3.93643  0.0826692 ?        ?         
1 1 1 52 0  13 o 1.70366  0.241782  3.08514      0.776243 3.08514      0.776243 3.08514      0.776243 1.73252  0.161641  ?        ?         
1 1 1 52 0  14 o 5.95865  0.116133  35.5863      1.3828   35.5863      1.3828   35.5863      1.3828   5.96203  0.0820364 ?        ?         
1 1 1 52 0  15 o 7.32178  0.117854  53.7192      1.7248   53.7192      1.7248   53.7192      1.7248   7.32556  0.0832681 ?        ?         
1 1 1 52 0  16 o 3.37444  0.134005  11.4611      0.901141 11.4611      0.901141 11.4611      0.901141 3.37997  0.0944284 ?        ?         
1 1 1 52 0  17 f 0.527326 0.336028  0.12201      0.758533 0.12201      0.758533 0.12201      0.758533 0.454613 0.286389  ?        ?         
1 1 1 52 0  18 o 2.69478  0.157517  7.35746      0.842308 7.35746      0.842308 7.35746      0.842308 2.70372  0.110565  ?        ?         
1 1 1 52 0  19 o 0.784117 0.41285   0.921147     0.850416 0.921147     0.850416 0.921147     0.850416 0.791439 0.356711  ?        ?         
1 1 1 52 0  20 o 4.03664  0.136411  16.3956      1.09843  16.3956      1.09843  16.3956      1.09843  4.04292  0.0961808 ?        ?         
1 1 1 52 0  21 o 2.21431  0.207837  5.06548      0.901798 5.06548      0.901798 5.06548      0.901798 2.23299  0.144162  ?        ?         
1 1 1 52 0  22 o 2.97659  0.1777    9.00388      1.04924  9.00388      1.04924  9.00388      1.04924  2.98872  0.124614  ?        ?         
1 1 1 52 0  23 o 1.14273  0.449701  1.84434      0.982097 1.84434      0.982097 1.84434      0.982097 1.24055  0.324633  ?        ?         
1 1 1 52 0  24 o 0.764905 0.435213  0.828369     1.02247  0.828369     1.02247  0.828369     1.02247  0.738618 0.38289   ?        ?         
1 1 1 52 0  25 o 4.05328  0.150513  16.5903      1.21633  16.5903      1.21633  16.5903      1.21633  4.06326  0.105998  ?        ?         
1 1 1 52 0  26 o 2.82124  0.227206  8.22711      1.26288  8.22711      1.26288  8.22711      1.26288  2.84521  0.158043  ?        ?         
1 1 1 52 0  27 o 0.725775 0.429551  0.693369     1.05432  0.693369     1.05432  0.693369     1.05432  0.683244 0.378216  ?        ?         
1 1 1 52 0  28 o 0.415867 0.299926  -1.51276     1.10856  -1.51276     1.10856  -1.51276     1.10856  0.315243 0.231111  ?        ?         
1 1 1 52 0  29 o 0.697746 0.428352  0.54912      1.12632  0.54912      1.12632  0.54912      1.12632  0.639557 0.375664  ?        ?         
1 1 1 52 0  30 o 0.648656 0.414092  0.296131     1.15649  0.296131     1.15649  0.296131     1.15649  0.572674 0.357941  ?        ?         
1 1 1 52 0  31 o 1.56379  0.438367  3.13881      1.18531  3.13881      1.18531  3.13881      1.18531  1.68438  0.269588  ?        ?         
1 1 1 52 0  32 o 1.34579  0.476466  2.5916       1.1638   2.5916       1.1638   2.5916       1.1638   1.48772  0.314529  ?        ?         
1 1 1 52 0  33 o 0.765648 0.452359  0.925377     1.16585  0.925377     1.16585  0.925377     1.16585  0.748186 0.402909  ?        ?         
1 1 1 52 0  34 o 1.2624   0.500607  2.53144      1.21349  2.53144      1.21349  2.53144      1.21349  1.42772  0.347104  ?        ?         
1 1 1 52 0  35 o 0.524275 0.362074  -0.401012    1.20046  -0.401012    1.20046  -0.401012    1.20046  0.435047 0.301783  ?        ?         
1 1 1 52 0  36 o 1.48047  0.511833  3.48007      1.36342  3.48007      1.36342  3.48007      1.36342  1.69974  0.316193  ?        ?         
1 1 1 52 0  37 f 0.687758 0.454272  0.757495     1.55002  0.757495     1.55002  0.757495     1.55002  0.657614 0.412342  ?        ?         
1 1 1 52 0  38 o 0.973334 0.563334  2.73548      1.74906  2.73548      1.74906  2.73548      1.74906  1.17174  0.511568  ?        ?         
1 1 1 52 0  39 o 0.738966 0.491793  1.90309      1.86759  1.90309      1.86759  1.90309      1.86759  0.805871 0.479019  ?        ?         
1 1 1 52 1  0  o 11.6184  0.127202  135.133      2.95497  135.133      2.95497  135.133      2.95497  11.6216  0.0899089 ?        ?         
1 1 1 52 1  1  o 9.60566  0.0782975 92.319       1.5042   92.2742      2.06168  92.37        2.19952  9.60102  0.107368  9.60533  0.114495  
1 1 1 52 1  2  o 5.22438  0.071659  27.3068      0.748747 26.2726      1.09562  28.2131      1.02562  5.12302  0.106931  5.30936  0.096586  
1 1 1 52 1  3  o 10.4259  0.0827386 108.768      1.72524  110.718      2.50137  106.999      2.38268  10.5153  0.118939  10.3376  0.115243  
1 1 1 52 1  4  o 2.95616  0.0944287 8.74647      0.558293 8.33593      0.80042  9.13544      0.779102 2.88451  0.138745  3.02005  0.128988  
1 1 1 52 1  5  o 4.66533  0.0719098 21.7769      0.670966 21.9135      0.962242 21.6477      0.936078 4.67866  0.102833  4.65031  0.100647  
1 1 1 52 1  6  f 6.24802  0.0716054 39.059       0.894784 39.8672      1.29737  38.3258      1.23571  6.31054  0.102794  6.18754  0.0998549 
1 1 1 52 1  7  o 7.55242  0.0749691 57.0741      1.1324   59.2762      1.69089  55.2832      1.52485  7.69403  0.109883  7.43099  0.102601  
1 1 1 52 1  8  o 7.96832  0.0762509 63.5361      1.21518  62.393       1.74756  64.6063      1.6909   7.8934   0.110698  8.03272  0.105251  
1 1 1 52 1  9  o 7.74857  0.0763993 60.0829      1.18397  60.0247      1.71247  60.1362      1.63874  7.74179  0.110599  7.74947  0.105732  
1 1 1 52 1  10 o 4.42674  0.0806247 19.6128      0.71381  19.3143      1.00827  19.9127      1.01069  4.391    0.114811  4.4586   0.113342  
1 1 1 52 1  11 o 2.47731  0.112546  6.14801      0.557625 4.9083       0.805891 7.28676      0.772379 2.21029  0.182304  2.6955   0.143272  
1 1 1 52 1  12 o 3.15544  0.0942104 9.97001      0.594551 9.31253      0.807555 10.7482      0.878571 3.04761  0.13249   3.274    0.134174  
1 1 1 52 1  13 o 6.9592   0.0801973 48.4811      1.11622  50.1582      1.58906  46.8476      1.56829  7.07493  0.112302  6.83716  0.114688  
1 1 1 52 1  14 o 1.80868  0.15153   3.28474      0.54814  3.36259      0.776856 3.20755      0.773528 1.82634  0.212681  1.78345  0.216863  
1 1 1 52 1  15 o 2.64788  0.11337   7.02887      0.600378 7.59971      0.841169 6.43609      0.857181 2.75049  0.152913  2.52987  0.169412  
1 1 1 52 1  16 o 2.84789  0.106817  8.12972      0.608403 7.39783      0.845995 8.91372      0.875591 2.71309  0.15591   2.97894  0.146963  
1 1 1 52 1  17 o 3.05924  0.100478  9.38045      0.614772 9.07741      0.864491 9.6905       0.874431 3.00583  0.143802  3.10598  0.140766  
1 1 1 52 1  18 o 6.89701  0.0809889 47.6489      1.11716  48.6145      1.62958  46.7926      1.53451  6.96022  0.117064  6.8295   0.112344  
1 1 1 52 1  19 o 4.79709  0.0885503 23.0637      0.849567 23.185       1.18308  22.9346      1.22074  4.80474  0.123116  4.77794  0.127747  
1 1 1 52 1  20 o 2.26224  0.141616  5.14978      0.640736 5.01772      0.910794 5.27917      0.901553 2.22542  0.204634  2.2837   0.197389  
1 1 1 52 1  21 o 4.07522  0.0976899 16.6631      0.796216 14.9382      1.11393  18.4651      1.13851  3.85076  0.144637  4.28373  0.132888  
1 1 1 52 1  22 o 4.72307  0.0976685 22.3833      0.922589 22.3685      1.32976  22.3971      1.28108  4.71264  0.141084  4.71688  0.135797  
1 1 1 52 1  23 f 1.32228  0.278109  1.86611      0.712246 1.45701      0.992551 2.30042      1.02266  1.178    0.374905  1.45289  0.354571  
1 1 1 52 1  24 o 0.730577 0.299538  0.223528     0.699398 0.969991     0.999138 -0.493666    0.979354 1.02917  0.374396  0.704088 0.319804  
1 1 1 52 1  25 f 0.875366 0.317939  0.688054     0.72028  1.30856      1.02839  0.0905615    1.00914  1.12748  0.382315  0.817538 0.348949  
1 1 1 52 1  26 o 3.54802  0.131095  12.7146      0.930255 12.6638      1.3381   12.7622      1.29416  3.52169  0.18998   3.53802  0.182893  
1 1 1 52 1  27 o 2.48776  0.16234   6.2931       0.807728 6.45422      1.11297  6.11379      1.17407  2.50097  0.222509  2.42733  0.241844  
1 1 1 52 1  28 o 0.954762 0.33716   0.908706     0.804968 1.20743      1.14735  0.619128     1.12965  1.09808  0.401034  0.952642 0.384275  
1 1 1 52 1  29 o 3.17979  0.138575  10.2605      0.881277 10.1689      1.22744  10.3579      1.26609  3.14304  0.195263  3.17004  0.199696  
1 1 1 52 1  30 o 1.10817  0.340989  1.37727      0.829291 0.536361     1.16927  2.22839      1.17635  0.935396 0.386041  1.37523  0.402356  
1 1 1 52 1  31 o 0.643773 0.291274  -0.280146    0.802352 -0.0199828   1.14382  -0.532173    1.12579  0.8116   0.358596  0.728238 0.33489   
1 1 1 52 1  32 o 0.761309 0.317028  0.310954     0.799702 1.34958      1.12645  -0.744444    1.13551  1.08916  0.397405  0.697241 0.32645   
1 1 1 52 1  33 o 1.13595  0.336303  1.55899      0.817183 1.91663      1.16204  1.20909      1.1494   1.22195  0.406399  1.03465  0.39621   
1 1 1 52 1  34 o 1.03448  0.344604  1.32963      0.835521 0.596011     1.18169  2.06305      1.18153  0.884886 0.377647  1.22893  0.409792  
1 1 1 52 1  35 o 0.82246  0.334786  0.663382     0.867389 1.36385      1.23546  -0.0175171   1.21807  1.01699  0.40514   0.772764 0.352503  
1 1 1 52 1  36 o 1.1515   0.375659  1.949        0.992896 0.489761     1.38698  3.4829       1.42201  0.842637 0.382014  1.4526   0.446426  
1 1 1 52 1  37 o 0.721036 0.331851  0.226584     1.10796  0.066363     1.47493  0.434087     1.67851  0.756903 0.359555  0.812559 0.384844  
1 1 1 52 1  38 o 0.676513 0.32505   -0.298601    1.27846  -1.53638     1.78937  0.992142     1.82726  0.670634 0.334042  0.845683 0.401005  
1 1 1 52 2  0  o 1.94213  0.196793  3.89363      0.746404 3.89363      0.746404 3.89363      0.746404 1.95826  0.136275  ?        ?         
1 1 1 52 2  1  o 5.85434  0.0695294 34.2897      0.814098 34.0086      1.13262  34.5901      1.17095  5.82899  0.0971541 5.87847  0.0995967 
1 1 1 52 2  2  o 3.88845  0.0790043 15.1296      0.614409 14.806       0.90124  15.4106      0.839819 3.84521  0.11719   3.92339  0.107027  
1 1 1 52 2  3  o 3.35604  0.0855989 11.2715      0.574547 11.6891      0.812046 10.853       0.813018 3.41646  0.118843  3.29182  0.123491  
1 1 1 52 2  4  o 8.6604   0.0776161 75.0499      1.34437  74.5902      1.94232  75.4728      1.86264  8.63086  0.112522  8.6823   0.107267  
1 1 1 52 2  5  o 6.14778  0.0688898 37.8145      0.847038 39.2414      1.27529  36.6881      1.13307  6.26082  0.101847  6.05423  0.0935766 
1 1 1 52 2  6  o 9.35657  0.0780607 87.6043      1.46076  88.7158      2.15483  86.6592      1.98701  9.41209  0.114472  9.30323  0.106791  
1 1 1 52 2  7  o 8.69667  0.075599  75.6815      1.31492  77.83        1.9508   73.8927      1.78006  8.81593  0.110641  8.59079  0.103603  
1 1 1 52 2  8  o 15.6295  0.1164    244.684      3.63854  240.261      5.14324  249.115      5.14812  15.4743  0.166186  15.7578  0.163352  
1 1 1 52 2  9  o 9.20663  0.0812269 84.8349      1.49565  84.9389      2.08681  84.7251      2.14473  9.20853  0.113308  9.19647  0.116606  
1 1 1 52 2  10 o 5.39001  0.0747263 29.0748      0.805551 28.2362      1.15109  29.8796      1.12771  5.30943  0.108401  5.46217  0.103229  
1 1 1 52 2  11 o 2.34302  0.125471  5.50244      0.587962 5.44791      0.856113 5.55112      0.808901 2.32825  0.183853  2.35093  0.172038  
1 1 1 52 2  12 o 4.3663   0.0855236 19.0866      0.746843 19.4131      1.06065  18.7654      1.05179  4.40094  0.120503  4.32682  0.121543  
1 1 1 52 2  13 o 6.85376  0.0772018 47.0225      1.05825  47.2681      1.45844  46.7495      1.53789  6.86844  0.10617   6.82983  0.112586  
1 1 1 52 2  14 o 1.85818  0.149234  3.46729      0.554606 3.0572       0.767507 3.91543      0.802315 1.74053  0.22048   1.97107  0.203523  
1 1 1 52 2  15 o 3.86447  0.089644  14.9585      0.692854 15.0883      0.997699 14.8376      0.962913 3.8779   0.128639  3.84588  0.125187  
1 1 1 52 2  16 o 5.19754  0.0809479 27.0528      0.84146  27.3279      1.18676  26.7746      1.19327  5.22036  0.113667  5.16701  0.11547   
1 1 1 52 2  17 o 2.42713  0.125046  5.91313      0.607004 5.31171      0.847871 6.54548      0.8694   2.29532  0.184696  2.54952  0.170503  
1 1 1 52 2  18 o 1.93819  0.157658  3.78216      0.611139 5.04105      0.87838  2.60097      0.850841 2.23353  0.196635  1.5734   0.280459  
1 1 1 52 2  19 o 2.11074  0.151998  4.48584      0.641658 4.76346      0.923291 4.22649      0.892383 2.16806  0.212931  2.04148  0.218563  
1 1 1 52 2  20 o 4.79399  0.0862109 23.0379      0.826588 24.9079      1.2078   21.3905      1.13366  4.9787   0.121297  4.61351  0.122863  
1 1 1 52 2  21 o 2.18658  0.156139  4.82317      0.682821 4.59058      0.951111 5.07054      0.980886 2.12334  0.223966  2.23233  0.2197    
1 1 1 52 2  22 f 3.22579  0.1194    10.4612      0.770317 10.4274      1.07525  10.4968      1.10411  3.21227  0.167366  3.22214  0.171332  
1 1 1 52 2  23 o 2.2135   0.164215  4.95266      0.726979 5.82566      0.990581 3.93361      1.07024  2.39294  0.20698   1.95383  0.273883  
1 1 1 52 2  24 o 4.48577  0.101532  20.2255      0.910898 19.886       1.28951  20.5636      1.2869   4.43624  0.145338  4.51206  0.142607  
1 1 1 52 2  25 o 1.1136   0.322027  1.34343      0.757835 2.10042      1.13294  0.730463     1.01949  1.37164  0.392797  0.963503 0.372115  
1 1 1 52 2  26 f 3.01068  0.141491  9.17255      0.851969 8.80117      1.22608  9.5193       1.18471  2.92851  0.209336  3.0511   0.194145  
1 1 1 52 2  27 o 2.02587  0.20537   4.21903      0.832103 5.17216      1.13017  3.09074      1.22965  2.22702  0.253742  1.65208  0.379859  
1 1 1 52 2  28 o 2.93598  0.143657  8.75365      0.843548 8.91232      1.19492  8.59602      1.19101  2.94013  0.203208  2.88614  0.206332  
1 1 1 52 2  29 o 3.37735  0.135407  11.5762      0.914633 10.7129      1.32314  12.3661      1.26574  3.2184   0.205559  3.47007  0.18238   
1 1 1 52 2  30 o 2.49477  0.171405  6.3934       0.855234 5.08832      1.20323  7.72595      1.21583  2.18008  0.275961  2.71722  0.223727  
1 1 1 52 2  31 o 0.733506 0.314559  0.134691     0.826836 0.792273     1.16572  -0.531083    1.17296  0.968409 0.390475  0.741913 0.341454  
1 1 1 52 2  32 o 1.8156   0.226215  3.51629      0.821433 2.87498      1.14229  4.20308      1.18209  1.53395  0.374975  1.93544  0.305381  
1 1 1 52 2  33 o 2.29862  0.187019  5.57679      0.859769 5.90928      1.21379  5.24199      1.21801  2.30688  0.263081  2.15646  0.28241   
1 1 1 52 2  34 o 0.696091 0.306574  0.077265     0.8272   0.0357912    1.1559   0.120801     1.18429  0.782705 0.352108  0.802797 0.358917  
1 1 1 52 2  35 o 0.791392 0.327915  0.573579     0.848954 1.08349      1.2093   0.0780782    1.19209  0.946464 0.391721  0.773022 0.351571  
1 1 1 52 2  36 o 0.96859  0.36563   1.32344      0.967305 2.47343      1.36949  0.178516     1.36647  1.20459  0.438315  0.796532 0.367355  
1 1 1 52 2  37 o 0.797533 0.352803  0.773197     1.11165  1.8108       1.47152  -0.606108    1.69661  0.963443 0.416521  0.721499 0.352785  
1 1 1 52 2  38 o 0.943557 0.397436  1.7764       1.28003  0.72522      1.76833  2.9335       1.85528  0.804294 0.385434  1.03018  0.455741  
1 1 1 52 3  0  o 5.65686  0.103903  32.0506      1.17463  32.0506      1.17463  32.0506      1.17463  5.6591   0.0734133 ?        ?         
1 1 1 52 3  1  o 7.33111  0.0692945 53.7725      1.01601  53.6153      1.43875  53.9288      1.43497  7.31853  0.0982951 7.33994  0.0977508 
1 1 1 52 3  2  o 1.97205  0.132651  3.89626      0.523187 4.2844       0.756406 3.54025      0.724427 2.06621  0.183042  1.87786  0.192887  
1 1 1 52 3  3  o 5.8155   0.0720424 33.8389      0.837924 33.048       1.25179  34.481       1.12788  5.74508  0.108945  5.86914  0.0960856 
1 1 1 52 3  4  o 1.00868  0.257754  1.0643       0.521969 0.616587     0.805397 1.38854      0.685392 0.896304 0.334627  1.15104  0.296089  
1 1 1 52 3  5  o 5.90324  0.0669798 34.8658      0.790796 34.6146      1.11563  35.1195      1.1211   5.88044  0.0948591 5.92318  0.0946369 
1 1 1 52 3  6  o 4.60153  0.0712462 21.1866      0.655682 21.6709      0.942441 20.7322      0.912818 4.65241  0.101285  4.55059  0.100297  
1 1 1 52 3  7  o 3.14848  0.0871679 9.92219      0.548893 9.96182      0.791428 9.88546      0.761917 3.15318  0.125497  3.14127  0.121275  
1 1 1 52 3  8  o 1.26686  0.196531  1.61303      0.497955 1.6111       0.737786 1.61465      0.674846 1.23745  0.300648  1.2401   0.278873  
1 1 1 52 3  9  o 5.58261  0.0701237 31.1867      0.782945 31.573       1.12922  30.8291      1.08652  5.61505  0.100553  5.5487   0.0979073 
1 1 1 52 3  10 o 5.32875  0.0729863 28.4176      0.777851 27.7936      1.10034  29.0409      1.09975  5.26775  0.104441  5.38484  0.102116  
1 1 1 52 3  11 o 4.47371  0.0782891 20.033       0.700485 20.4399      0.987632 19.6212      0.993665 4.51683  0.109328  4.42521  0.112273  
1 1 1 52 3  12 o 4.3792   0.0808265 19.1985      0.707911 19.0655      1.01574  19.324       0.987149 4.36139  0.116446  4.39121  0.112401  
1 1 1 52 3  13 o 3.0526   0.101276  9.33586      0.618311 10.1628      0.906738 8.6171       0.845336 3.182    0.142479  2.92991  0.14426   
1 1 1 52 3  14 o 2.82677  0.111925  8.01045      0.632772 8.24726      0.932599 7.80843      0.861387 2.86431  0.162796  2.78779  0.154493  
1 1 1 52 3  15 o 1.46332  0.185223  2.15669      0.542081 1.91542      0.756992 2.41064      0.776621 1.34693  0.28933   1.54249  0.251742  
1 1 1 52 3  16 o 4.59606  0.0822728 21.1565      0.756262 21.0817      1.04843  21.2377      1.09193  4.58465  0.114341  4.60105  0.118661  
1 1 1 52 3  17 o 2.4109   0.130245  5.83774      0.628014 6.45918      0.894557 5.2338       0.88187  2.53142  0.176691  2.27688  0.193658  
1 1 1 52 3  18 o 1.6978   0.185503  2.91077      0.629893 2.7831       0.873364 3.04917      0.909331 1.65203  0.264331  1.72938  0.262907  
1 1 1 52 3  19 o 1.28556  0.240477  1.73433      0.595389 1.62626      0.863914 1.83208      0.821686 1.23348  0.339614  1.3078   0.316997  
1 1 1 52 3  20 o 4.24338  0.0947105 18.0619      0.803786 18.3499      1.1653   17.8005      1.11015  4.26989  0.136456  4.20636  0.131961  
1 1 1 52 3  21 o 1.00935  0.311776  1.05774      0.692387 0.972623     0.974705 1.14443      0.983722 1.03144  0.370323  1.08341  0.373666  
1 1 1 52 3  22 o 3.07389  0.124255  9.50622      0.763891 10.7451      1.0631   8.18381      1.09837  3.26097  0.163004  2.83992  0.193381  
1 1 1 52 3  23 f 4.97067  0.0955669 24.804       0.950063 24.3646      1.3061   25.2976      1.3845   4.91743  0.132804  5.00913  0.138198  
1 1 1 52 3  24 o 6.06755  0.093502  36.9779      1.13466  35.1519      1.55521  39.0559      1.65912  5.90311  0.131728  6.22162  0.133335  
1 1 1 52 3  25 o 2.10398  0.18955   4.51757      0.797617 5.63939      1.16767  3.53622      1.09212  2.33322  0.250227  1.83445  0.29767   
1 1 1 52 3  26 o 4.27095  0.106767  18.3689      0.91199  19.0746      1.26046  17.5936      1.32118  4.33914  0.145243  4.16207  0.158717  
1 1 1 52 3  27 o 0.669342 0.299781  -0.270421    0.829441 -0.516075    1.13465  0.011506     1.21554  0.752109 0.34231   0.862741 0.37584   
1 1 1 52 3  28 o 1.75432  0.239651  3.21186      0.840851 3.34084      1.13772  3.0566       1.24823  1.7293   0.3411    1.62871  0.388159  
1 1 1 52 3  29 o 2.10564  0.200382  4.58891      0.843864 4.60685      1.24139  4.5735       1.15058  2.06696  0.300294  2.0703   0.277879  
1 1 1 52 3  30 f 1.82255  0.227809  3.49491      0.830388 3.75014      1.16788  3.23395      1.18092  1.81759  0.333739  1.66593  0.364451  
1 1 1 52 3  31 o 4.12216  0.121935  17.2987      1.00527  17.8236      1.42235  16.7747      1.42099  4.1489   0.171413  4.02066  0.176711  
1 1 1 52 3  32 o 1.53183  0.277768  2.64976      0.819665 2.47444      1.14868  2.83164      1.16998  1.4031   0.393518  1.50843  0.386158  
1 1 1 52 3  33 o 1.19525  0.338727  1.7668       0.846776 1.78027      1.20406  1.75362      1.19108  1.16427  0.412233  1.15775  0.409997  
1 1 1 52 3  34 o 1.04337  0.344136  1.37116      0.833253 1.51471      1.18814  1.23223      1.16889  1.07566  0.405466  1.00777  0.396394  
1 1 1 52 3  35 o 0.641223 0.295617  -0.226453    0.883808 -0.358436    1.25863  -0.0980712   1.24134  0.724934 0.340179  0.752888 0.348332  
1 1 1 52 3  36 o 0.774514 0.339692  0.469057     1.00693  0.512984     1.42402  0.42513      1.42401  0.840705 0.382861  0.829661 0.379477  
1 1 1 52 3  37 o 0.713267 0.327298  0.308752     1.06893  0.84098      1.4709   -0.286895    1.55607  0.81808  0.378754  0.717723 0.347767  
1 1 1 52 3  38 o 0.67228  0.325885  -0.214437    1.36894  -1.55556     2.03439  0.895301     1.85059  0.669364 0.336822  0.79226  0.383017  
1 1 1 52 4  0  o 8.83592  0.108067  78.1588      1.90911  78.1588      1.90911  78.1588      1.90911  8.83834  0.0763815 ?        ?         
1 1 1 52 4  1  o 7.30365  0.0729511 53.3747      1.06562  53.9733      1.48318  52.7362      1.53203  7.3425   0.101     7.25749  0.105548  
1 1 1 52 4  2  o 9.82046  0.0850471 96.5193      1.6704   93.8577      2.36631  99.1631      2.35832  9.67994  0.122228  9.95026  0.118506  
1 1 1 52 4  3  o 6.67397  0.0697755 44.5665      0.931359 44.3464      1.38048  44.7503      1.26179  6.65525  0.103714  6.68619  0.0943578 
1 1 1 52 4  4  o 10.749   0.0839286 115.636      1.8043   115.462      2.61438  115.794      2.49326  10.7361  0.121757  10.7524  0.11594   
1 1 1 52 4  5  o 4.59788  0.0710228 21.1533      0.653108 21.5762      0.962946 20.793       0.888776 4.64202  0.103721  4.55733  0.0975106 
1 1 1 52 4  6  o 7.87279  0.0715804 62.0207      1.12707  61.8702      1.57163  62.18        1.61719  7.86083  0.0999661 7.88022  0.102611  
1 1 1 52 4  7  o 4.3416   0.0708522 18.862       0.615223 18.956       0.880625 18.7723      0.85986  4.3509   0.1012    4.32988  0.0992938 
1 1 1 52 4  8  f 2.07109  0.119786  4.29796      0.496173 4.18818      0.717887 4.39837      0.686551 2.04211  0.175771  2.09331  0.163987  
1 1 1 52 4  9  o 1.57412  0.155453  2.48657      0.489405 2.52564      0.705719 2.45037      0.679285 1.58348  0.222838  1.55996  0.217725  
1 1 1 52 4  10 o 3.02755  0.0926294 9.17809      0.56088  7.32514      0.779424 11.1681      0.807742 2.70214  0.144223  3.33809  0.120989  
1 1 1 52 4  11 o 3.22188  0.0896924 10.3943      0.577955 10.8103      0.821674 9.9869       0.813098 3.28362  0.125117  3.15584  0.128824  
1 1 1 52 4  12 o 4.25227  0.0770765 18.101       0.6555   18.1509      0.915899 18.0487      0.93855  4.25595  0.107602  4.24371  0.110581  
1 1 1 52 4  13 o 4.82238  0.0802873 23.2843      0.774351 23.4148      1.11102  23.161       1.07984  4.83272  0.114948  4.80673  0.112326  
1 1 1 52 4  14 o 1.10411  0.263363  1.2855       0.574241 0.847833     0.84172  1.66656      0.7854   0.972512 0.344635  1.25403  0.313642  
1 1 1 52 4  15 o 5.2324   0.0840933 27.4206      0.88002  28.891       1.1589   25.4179      1.35248  5.36821  0.107941  5.0317   0.134396  
1 1 1 52 4  16 o 6.88916  0.0890124 47.5519      1.22644  47.2165      1.64451  47.9722      1.84097  6.85948  0.119871  6.91134  0.133185  
1 1 1 52 4  17 o 3.43832  0.0997938 11.8544      0.686247 12.1594      0.950927 11.523       0.991333 3.4782   0.136698  3.38469  0.146444  
1 1 1 52 4  18 o 6.33365  0.0837935 40.1986      1.06144  40.9243      1.45529  39.3738      1.55152  6.385    0.113962  6.26071  0.12391   
1 1 1 52 4  19 o 5.87853  0.0827989 34.6335      0.973471 34.2445      1.38477  35.0135      1.36877  5.83847  0.11859   5.90426  0.115914  
1 1 1 52 4  20 f 4.00704  0.0992293 16.1135      0.795231 16.0228      1.12107  16.2054      1.12821  3.98857  0.140536  4.01121  0.140633  
1 1 1 52 4  21 o 3.70453  0.107068  13.7812      0.793277 13.8968      1.0928   13.6524      1.15338  3.71302  0.147158  3.67826  0.156783  
1 1 1 52 4  22 o 5.11823  0.0915375 26.2839      0.93702  25.9467      1.28887  26.6619      1.36467  5.07739  0.126922  5.14538  0.132611  
1 1 1 52 4  23 o 5.64256  0.0926554 31.969       1.04563  32.4366      1.48165  31.505       1.47585  5.67235  0.130603  5.58982  0.132012  
1 1 1 52 4  24 o 0.934436 0.320043  0.862343     0.720665 -0.178227    1.0372   1.83359      1.00206  0.777694 0.342821  1.28987  0.369421  
1 1 1 52 4  25 o 1.65775  0.229065  2.83237      0.759464 2.03613      1.06659  3.65127      1.08166  1.34927  0.379446  1.8655   0.289912  
1 1 1 52 4  26 o 1.63805  0.235748  2.77833      0.772331 2.68729      1.04702  2.88699      1.14388  1.55372  0.345947  1.60403  0.364714  
1 1 1 52 4  27 o 0.862366 0.334015  0.588711     0.822653 1.65264      1.17446  -0.436081    1.15266  1.22148  0.408565  0.768098 0.348236  
1 1 1 52 4  28 o 2.7871   0.154961  7.91112      0.863788 9.10713      1.17312  6.49483      1.27659  2.97367  0.197251  2.4863   0.256725  
1 1 1 52 4  29 o 3.74579  0.126982  14.2301      0.951295 14.5747      1.38751  13.9244      1.30679  3.76177  0.184422  3.68084  0.177512  
1 1 1 52 4  30 f 1.11143  0.336058  1.41767      0.810216 1.88996      1.14527  0.944488     1.14636  1.25691  0.40299   1.00562  0.393303  
1 1 1 52 4  31 o 0.734686 0.313762  0.169932     0.816686 0.59118      1.14477  -0.266668    1.16544  0.916463 0.380326  0.772528 0.350208  
1 1 1 52 4  32 f 0.889184 0.333963  0.811101     0.804572 0.901013     1.14488  0.723369     1.13092  0.967678 0.388296  0.926924 0.380611  
1 1 1 52 4  33 o 0.601821 0.280585  -0.479647    0.825451 -0.271202    1.16741  -0.688062    1.16732  0.745288 0.342013  0.692312 0.325488  
1 1 1 52 4  34 o 1.0693   0.342031  1.46534      0.825351 2.661        1.16363  0.254782     1.17085  1.38637  0.39843   0.811261 0.360067  
1 1 1 52 4  35 o 1.80368  0.255155  3.81801      0.920433 3.75634      1.30641  3.87879      1.29702  1.59031  0.408605  1.63023  0.400217  
1 1 1 52 4  36 o 0.769786 0.338776  0.513276     1.00856  1.20808      1.39326  -0.251601    1.46184  0.918234 0.401173  0.745577 0.355643  
1 1 1 52 4  37 o 0.960614 0.385236  1.70934      1.12597  2.74839      1.48105  0.286316     1.73324  1.09608  0.440883  0.773099 0.373164  
1 1 1 52 4  38 o 1.04363  0.415431  2.76007      1.2981   -0.305877    2.00927  4.95653      1.70066  0.688834 0.344417  1.26761  0.482953  
1 1 1 52 5  0  o 3.79855  0.110991  14.4763      0.841583 14.4763      0.841583 14.4763      0.841583 3.80167  0.0783419 ?        ?         
1 1 1 52 5  1  o 7.85058  0.0734998 61.6707      1.15403  62.1515      1.6204   61.1758      1.64395  7.87872  0.102834  7.8164   0.10516   
1 1 1 52 5  2  o 4.37556  0.0777227 19.1593      0.680161 19.8327      0.978787 18.5305      0.945843 4.45018  0.109972  4.3016   0.109941  
1 1 1 52 5  3  o 1.43506  0.185357  2.06797      0.531996 1.75493      0.822795 2.29285      0.697377 1.29132  0.319842  1.50933  0.231023  
1 1 1 52 5  4  o 4.69265  0.0699782 22.0344      0.656766 21.8221      0.928674 22.2468      0.92894  4.66853  0.0994612 4.71379  0.0985343 
1 1 1 52 5  5  o 5.91034  0.0661186 34.9518      0.781566 35.7567      1.13487  34.2257      1.07793  5.9762   0.0949491 5.84705  0.0921772 
1 1 1 52 5  6  o 5.1516   0.0690643 26.5561      0.711583 28.1586      1.03743  25.1324      0.977865 5.30302  0.0978154 5.00999  0.0975915 
1 1 1 52 5  7  o 3.43937  0.0822226 11.8405      0.565588 12.2064      0.838146 11.5346      0.766386 3.49022  0.120071  3.39321  0.112929  
1 1 1 52 5  8  o 1.00618  0.240653  1.06187      0.478469 0.78834      0.702059 1.29911      0.653826 0.920943 0.31586   1.11243  0.290678  
1 1 1 52 5  9  o 7.63322  0.0723832 58.3128      1.10503  58.3385      1.60598  58.2897      1.52284  7.63142  0.105221  7.62889  0.0998077 
1 1 1 52 5  10 o 3.47626  0.0836942 12.0983      0.581886 11.1752      0.816784 13.0496      0.829177 3.3388   0.122317  3.60848  0.114893  
1 1 1 52 5  11 o 6.8369   0.0731823 46.7875      1.00068  47.0196      1.43485  46.5677      1.39629  6.85041  0.104727  6.81771  0.102402  
1 1 1 52 5  12 o 2.49752  0.109098  6.2517       0.544948 6.45405      0.787605 6.06586      0.754789 2.53469  0.155365  2.45741  0.153574  
1 1 1 52 5  13 o 4.11728  0.0830195 16.9756      0.683629 17.6711      0.97874  16.313       0.955282 4.19797  0.116573  4.03325  0.118426  
1 1 1 52 5  14 o 0.91297  0.279134  0.85081      0.55692  1.28538      0.840351 0.510468     0.743687 1.1177   0.34312   0.838848 0.319435  
1 1 1 52 5  15 o 4.3096   0.0847382 18.6037      0.730375 17.5564      1.05088  19.5823      1.01582  4.18236  0.125633  4.4184   0.114953  
1 1 1 52 5  16 o 4.04781  0.0937071 16.4222      0.758617 16.0791      0.985594 16.9211      1.18831  4.00202  0.123137  4.1024   0.144831  
1 1 1 52 5  17 f 3.1352   0.104917  9.86046      0.657872 9.76768      0.911454 9.96136      0.950517 3.11588  0.146259  3.14599  0.151068  
1 1 1 52 5  18 o 2.80379  0.117959  7.89503      0.661461 7.94321      0.918486 7.84313      0.953385 2.80673  0.163622  2.78794  0.170984  
1 1 1 52 5  19 o 3.85971  0.0983845 14.9467      0.759471 15.3703      1.11126  14.5754      1.04035  3.90688  0.142218  3.80552  0.13669   
1 1 1 52 5  20 o 2.78208  0.130917  7.78754      0.728442 7.44645      1.01278  8.15312      1.0485   2.71177  0.186737  2.8379   0.184731  
1 1 1 52 5  21 o 5.9382   0.0886553 35.3694      1.05291  36.031       1.4997   34.7263      1.47859  5.98441  0.1253    5.87491  0.12584   
1 1 1 52 5  22 o 7.76751  0.0921351 60.5432      1.43132  60.3629      1.94952  60.754       2.10817  7.74408  0.125871  7.76501  0.135748  
1 1 1 52 5  23 o 1.15656  0.301736  1.44974      0.70522  1.17912      1.03119  1.68754      0.966608 1.09107  0.381968  1.24378  0.364992  
1 1 1 52 5  24 o 1.16947  0.303103  1.49018      0.714607 1.94572      1.03112  1.06916      0.991274 1.3234   0.373379  1.0487   0.373762  
1 1 1 52 5  25 o 1.21383  0.304585  1.61373      0.738866 1.12171      1.00208  2.19987      1.09375  1.06224  0.376075  1.39861  0.380829  
1 1 1 52 5  26 o 1.71434  0.232509  3.0448       0.797202 3.63045      1.0951   2.38453      1.16277  1.85211  0.295636  1.4457   0.39222   
1 1 1 52 5  27 o 3.71045  0.123712  13.9257      0.918054 12.8732      1.31849  14.9162      1.27906  3.54219  0.186112  3.82221  0.167319  
1 1 1 52 5  28 o 2.12262  0.198308  4.64784      0.841865 4.5467       1.14635  4.76625      1.24036  2.06951  0.276961  2.11125  0.29375   
1 1 1 52 5  29 o 3.78165  0.124215  14.5014      0.939474 14.3717      1.29761  14.6443      1.36196  3.74011  0.173472  3.77123  0.180572  
1 1 1 52 5  30 o 0.57547  0.270952  -0.743924    0.814703 -1.82014     1.15107  0.336391     1.15326  0.596688 0.291483  0.874532 0.373148  
1 1 1 52 5  31 o 0.524328 0.252755  -1.0321      0.78881  -0.758872    1.12413  -1.29714     1.10716  0.690643 0.323619  0.625109 0.300872  
1 1 1 52 5  32 o 2.3177   0.186619  5.65975      0.86505  5.88623      1.19851  5.41344      1.24984  2.3094   0.259485  2.19366  0.284875  
1 1 1 52 5  33 o 2.33359  0.189037  5.80744      0.882272 5.45547      1.24537  6.16209      1.25009  2.1766   0.286081  2.33212  0.268015  
1 1 1 52 5  34 o 0.614125 0.283195  -0.292637    0.811757 -0.782717    1.14412  0.20415      1.15192  0.658876 0.314369  0.78888  0.353302  
1 1 1 52 5  35 o 0.843078 0.351613  0.792092     0.986016 -0.0494555   1.39467  1.63308      1.3942   0.777209 0.363269  1.02713  0.42232   
1 1 1 52 5  36 o 1.24726  0.380143  2.51829      1.03399  1.41949      1.46723  3.60238      1.45737  0.920178 0.406411  1.35816  0.455121  
1 1 1 52 5  37 o 0.61277  0.297916  -0.732952    1.15894  -1.88697     1.5599   0.688867     1.73146  0.614387 0.306844  0.813753 0.3879    
1 1 1 52 6  0  o 7.70252  0.0990595 59.3951      1.52545  59.3951      1.52545  59.3951      1.52545  7.70467  0.0700131 ?        ?         
1 1 1 52 6  1  o 6.38398  0.0712165 40.7815      0.90929  38.5931      1.27171  43.0706      1.30064  6.20819  0.102422  6.55872  0.0991537 
1 1 1 52 6  2  o 7.76466  0.0745031 60.3329      1.15698  60.1894      1.63589  60.4766      1.63655  7.75263  0.105505  7.77112  0.105297  
1 1 1 52 6  3  o 9.58142  0.0802874 91.8813      1.53853  92.479       2.23478  91.3428      2.12129  9.60806  0.116297  9.5496   0.111067  
1 1 1 52 6  4  o 8.32528  0.0748079 69.3628      1.24559  70.7987      1.81506  68.0846      1.71248  8.40757  0.107942  8.24532  0.103845  
1 1 1 52 6  5  o 4.81457  0.0687755 23.1953      0.662249 23.9914      0.953067 22.452       0.920886 4.89488  0.0973534 4.73525  0.0972374 
1 1 1 52 6  6  o 2.66602  0.0955334 7.11695      0.509389 7.516        0.73896  6.75563      0.703143 2.73796  0.134947  2.59575  0.135441  
1 1 1 52 6  7  o 13.799   0.0995952 190.692      2.74863  187.36       3.83844  194.198      3.93778  13.6679  0.140418  13.9148  0.141496  
1 1 1 52 6  8  o 5.32674  0.0705462 28.3959      0.751562 27.5175      1.0916   29.1876      1.0363   5.24127  0.104135  5.39868  0.0959769 
1 1 1 52 6  9  o 11.2885  0.0934186 127.614      2.10912  128.572      3.12461  126.812      2.8586   11.3211  0.137999  11.246   0.127094  
1 1 1 52 6  10 o 12.1148  0.0954081 147.004      2.31171  146.081      3.42677  147.775      3.13163  12.0649  0.142014  12.1384  0.128996  
1 1 1 52 6  11 o 3.41818  0.0857819 11.7001      0.586437 10.794       0.819295 12.6521      0.839779 3.28063  0.124869  3.55232  0.118201  
1 1 1 52 6  12 o 2.86632  0.0953198 8.23072      0.546434 8.33982      0.774719 8.12271      0.770846 2.8827   0.134374  2.84484  0.135481  
1 1 1 52 6  13 o 5.7068   0.0761663 32.6072      0.869332 32.7631      1.22505  32.4491      1.23384  5.71708  0.107139  5.68945  0.108432  
1 1 1 52 6  14 o 1.92757  0.139846  3.73195      0.539124 3.97494      0.784093 3.51407      0.742482 1.98502  0.197502  1.86629  0.19892   
1 1 1 52 6  15 o 0.844746 0.28557   0.680755     0.573777 -0.172022    0.842478 1.41851      0.783604 0.709345 0.310916  1.15901  0.32501   
1 1 1 52 6  16 o 5.4075   0.0880843 29.304       0.952631 28.4176      1.28085  30.4015      1.42512  5.32021  0.120376  5.50106  0.129531  
1 1 1 52 6  17 f 3.25286  0.101092  10.6134      0.657676 10.7142      0.913735 10.505       0.947365 3.26376  0.139982  3.23085  0.146612  
1 1 1 52 6  18 o 3.9715   0.0963099 15.8201      0.764989 14.9178      1.0301   16.9297      1.1423   3.85107  0.133742  4.10154  0.139253  
1 1 1 52 6  19 o 4.24427  0.100193  18.0792      0.850493 18.1234      1.18854  18.0327      1.21754  4.24207  0.14009   4.23062  0.143896  
1 1 1 52 6  20 o 0.964506 0.304307  0.95543      0.654984 1.03317      0.882075 0.859889     0.977892 1.03042  0.353984  0.999983 0.369639  
1 1 1 52 6  21 o 2.66185  0.128066  7.1317       0.681785 7.00984      0.942766 7.2653       0.987145 2.63079  0.179179  2.6773   0.184354  
1 1 1 52 6  22 o 3.35906  0.120694  11.3585      0.810836 10.6124      1.16021  12.0708      1.13365  3.23394  0.179379  3.45309  0.16415   
1 1 1 52 6  23 o 2.47386  0.148983  6.18916      0.737126 5.85509      1.05168  6.51176      1.03347  2.39041  0.21998   2.52498  0.204648  
1 1 1 52 6  24 o 2.20428  0.170901  4.94063      0.753424 5.91019      1.04308  3.88298      1.08943  2.39852  0.217443  1.9265   0.282749  
1 1 1 52 6  25 o 1.96706  0.189753  3.9558       0.746511 4.09442      1.01865  3.79499      1.09717  1.98285  0.256866  1.899    0.28888   
1 1 1 52 6  26 o 0.746621 0.315484  0.143751     0.810798 -0.784535    1.11024  1.2046       1.18687  0.705618 0.327595  1.10643  0.407511  
1 1 1 52 6  27 o 1.37218  0.289949  2.06874      0.771123 2.01848      1.06547  2.12402      1.11745  1.32781  0.381142  1.35861  0.390443  
1 1 1 52 6  28 o 1.87384  0.219305  3.65808      0.821884 5.29058      1.1734   2.08586      1.15154  2.23439  0.262579  1.33545  0.400007  
1 1 1 52 6  29 o 0.693214 0.303498  -0.0383772   0.800872 -0.792698    1.09064  0.84434      1.17982  0.685686 0.320783  0.99593  0.396175  
1 1 1 52 6  30 o 1.7002   0.240515  3.09105      0.817851 2.73246      1.1798   3.42276      1.13475  1.49467  0.390425  1.71273  0.343375  
1 1 1 52 6  31 o 1.43206  0.291843  2.34401      0.806892 2.18215      1.1335   2.5103       1.14889  1.31871  0.397239  1.41664  0.392336  
1 1 1 52 6  32 f 1.37912  0.307571  2.25677      0.826508 2.24977      1.1448   2.26441      1.1945   1.3077   0.400282  1.30432  0.410846  
1 1 1 52 6  33 o 0.910315 0.341358  0.944367     0.839947 -0.0204158   1.18421  1.92116      1.19155  0.780384 0.353431  1.18292  0.410933  
1 1 1 52 6  34 o 0.838052 0.335953  0.766372     0.855827 0.630392     1.20678  0.903958     1.21389  0.859257 0.374402  0.908773 0.385111  
1 1 1 52 6  35 o 0.873987 0.359485  0.940194     1.01056  1.81903      1.40294  -0.00755756  1.4569   1.05534  0.427192  0.788221 0.369177  
1 1 1 52 6  36 o 0.980657 0.378333  1.65649      1.05326  2.77348      1.44279  0.382035     1.54114  1.14534  0.442607  0.784501 0.370332  
1 1 1 52 6  37 o 1.18021  0.414857  2.75055      1.21745  1.4979       1.77712  3.85836      1.67123  0.874992 0.409397  1.23396  0.476462  
1 1 1 52 7  0  o 0.734169 0.381074  0.79966      0.716672 0.79966      0.716672 0.79966      0.716672 0.743487 0.327462  ?        ?         
1 1 1 52 7  1  o 7.15502  0.0718595 51.2307      1.02831  51.0827      1.45762  51.3773      1.45091  7.1421   0.102044  7.16275  0.101282  
1 1 1 52 7  2  o 7.3087   0.0722401 53.4556      1.05596  51.574       1.49764  55.3159      1.48911  7.17609  0.104349  7.4323   0.100178  
1 1 1 52 7  3  o 4.98142  0.0689045 24.831       0.686484 24.2393      0.996164 25.3662      0.947346 4.9198   0.10124   5.03335  0.0941068 
1 1 1 52 7  4  o 5.01218  0.068589  25.1388      0.68756  24.7506      0.996901 25.491       0.949541 4.97142  0.100263  5.04565  0.0940949 
1 1 1 52 7  5  o 6.17252  0.0676005 38.1255      0.834532 38.05        1.19326  38.1978      1.16757  6.16421  0.0967893 6.17637  0.0945192 
1 1 1 52 7  6  o 10.4177  0.0827079 108.641      1.72326  107.254      2.39979  110.117      2.47611  10.3458  0.115979  10.4826  0.118106  
1 1 1 52 7  7  o 9.17044  0.0787783 84.1791      1.44486  82.4339      2.10525  85.733       1.9866   9.06961  0.116061  9.25074  0.107375  
1 1 1 52 7  8  o 2.59399  0.0986953 6.73966      0.512029 8.18729      0.756363 5.51501      0.695674 2.85716  0.132363  2.34409  0.148389  
1 1 1 52 7  9  o 7.58623  0.0750374 57.608       1.1385   59.551       1.68048  55.9596      1.54785  7.70881  0.108997  7.47351  0.103556  
1 1 1 52 7  10 o 3.13355  0.0897963 9.83396      0.562763 10.3377      0.82499  9.39553      0.769625 3.21028  0.128492  3.06069  0.125727  
1 1 1 52 7  11 o 1.3455   0.182902  1.82241      0.492192 1.2557       0.706095 2.35804      0.68645  1.09518  0.308975  1.52797  0.224628  
1 1 1 52 7  12 o 6.37811  0.0748774 40.7277      0.955153 40.2752      1.38756  41.1351      1.31679  6.33845  0.109456  6.40669  0.102767  
1 1 1 52 7  13 o 4.0133   0.0831464 16.1312      0.667382 14.6374      0.920245 17.7886      0.969308 3.81979  0.120458  4.21152  0.115078  
1 1 1 52 7  14 o 5.53353  0.0771916 30.664       0.854285 31.4672      1.19654  29.8289      1.22008  5.60187  0.106799  5.45336  0.111865  
1 1 1 52 7  15 o 2.03762  0.143952  4.17503      0.586641 3.96855      0.848271 4.36432      0.812177 1.98005  0.214205  2.07855  0.195371  
1 1 1 52 7  16 o 1.72345  0.181271  2.9986       0.624825 2.91601      0.900991 3.07513      0.867247 1.69043  0.266498  1.73809  0.249483  
1 1 1 52 7  17 o 2.18979  0.14199   4.82536      0.621854 4.52369      0.885867 5.11842      0.87314  2.11235  0.209688  2.24911  0.194108  
1 1 1 52 7  18 f 1.66168  0.193195  2.79669      0.642056 3.07942      0.900734 2.50465      0.915453 1.73461  0.259635  1.53187  0.309634  
1 1 1 52 7  19 o 4.0381   0.104803  16.3705      0.846411 15.6923      1.10141  17.3486      1.32277  3.94748  0.139508  4.14612  0.159519  
1 1 1 52 7  20 o 3.42249  0.108153  11.7661      0.740305 12.1311      0.994756 11.3131      1.10833  3.46924  0.143368  3.34584  0.165628  
1 1 1 52 7  21 o 1.86892  0.18406   3.54059      0.687985 3.50535      0.940361 3.58117      1.0092   1.848    0.254426  1.86474  0.270601  
1 1 1 52 7  22 o 3.15223  0.122089  10.0104      0.769704 8.47406      1.06542  11.6877      1.11321  2.88675  0.184536  3.39619  0.16389   
1 1 1 52 7  23 o 4.2027   0.104177  17.7665      0.875649 16.2692      1.22047  19.3549      1.25704  4.00834  0.152242  4.37495  0.143664  
1 1 1 52 7  24 o 1.82835  0.208631  3.42886      0.7629   2.81104      1.05397  4.1088       1.10569  1.596    0.340264  1.98193  0.278944  
1 1 1 52 7  25 o 2.68165  0.147593  7.29281      0.791585 7.74321      1.05247  6.70617      1.20115  2.75001  0.191357  2.54378  0.236096  
1 1 1 52 7  26 o 0.863101 0.329807  0.61832      0.79502  -0.108657    1.13585  1.31652      1.11315  0.814054 0.358814  1.12183  0.396449  
1 1 1 52 7  27 o 3.48756  0.129858  12.3208      0.905775 12.3655      1.28381  12.2765      1.27813  3.47105  0.184931  3.45861  0.184775  
1 1 1 52 7  28 o 2.49877  0.171741  6.40601      0.858282 7.16947      1.2212   5.66079      1.20652  2.61552  0.233452  2.31087  0.261054  
1 1 1 52 7  29 o 1.74883  0.23306   3.23597      0.815162 3.57391      1.13211  2.87212      1.17469  1.7688   0.332255  1.55136  0.38089   
1 1 1 52 7  30 o 0.762249 0.31775   0.30527      0.804648 0.970627     1.14397  -0.346244    1.13201  0.998858 0.392383  0.750847 0.341783  
1 1 1 52 7  31 o 3.53986  0.128113  12.8243      0.907007 13.6282      1.2664   11.9777      1.29965  3.61334  0.175239  3.37272  0.192671  
1 1 1 52 7  32 f 1.70219  0.243529  3.19987      0.829066 3.43529      1.13356  2.9291       1.2157   1.66143  0.351898  1.48389  0.400363  
1 1 1 52 7  33 f 2.11052  0.202754  4.8152       0.855832 5.19466      1.21967  4.44714      1.2012   2.11174  0.288783  1.93236  0.310812  
1 1 1 52 7  34 o 2.47237  0.185679  6.65625      0.918136 6.22189      1.29144  7.10016      1.30556  2.26975  0.28449   2.45081  0.266351  
1 1 1 52 7  35 o 0.681476 0.313623  -0.0692909   0.989414 -1.38614     1.37142  1.3601       1.42883  0.642195 0.314778  0.962012 0.413061  
1 1 1 52 7  36 o 1.00854  0.379119  1.80455      1.0373   1.6684       1.43251  1.95463      1.50404  0.926349 0.405734  0.963558 0.418893  
1 1 1 52 7  37 o 0.625669 0.302842  -0.386395    1.17026  1.4979       1.76124  -1.87591     1.56591  0.839215 0.396082  0.593574 0.298664  
1 1 1 52 8  0  o 4.52787  0.103125  20.5492      0.932781 20.5492      0.932781 20.5492      0.932781 4.53049  0.0728354 ?        ?         
1 1 1 52 8  1  o 2.65383  0.101458  7.05332      0.538505 6.95746      0.816726 7.12704      0.716249 2.63309  0.155089  2.66615  0.134323  
1 1 1 52 8  2  o 8.07042  0.0745768 65.1846      1.20373  64.9949      1.71144  65.3703      1.69337  8.05525  0.106231  8.07867  0.104805  
1 1 1 52 8  3  o 2.89387  0.0911473 8.38479      0.527537 9.16947      0.787003 7.74454      0.710891 3.02429  0.130114  2.77951  0.127881  
1 1 1 52 8  4  o 0.769434 0.253928  0.57024      0.45367  0.821389     0.660722 0.346217     0.624021 0.923051 0.306444  0.744732 0.290402  
1 1 1 52 8  5  o 6.4309   0.0682404 41.3864      0.877694 40.3022      1.24764  42.4486      1.23495  6.34359  0.0983389 6.51066  0.0948405 
1 1 1 52 8  6  o 4.99949  0.0686999 25.014       0.686929 25.176       0.995979 24.867       0.948676 5.01354  0.099329  4.983    0.0951912 
1 1 1 52 8  7  o 2.74884  0.0942906 7.56753      0.51838  8.40861      0.740621 6.75978      0.725804 2.89572  0.127882  2.59563  0.139813  
1 1 1 52 8  8  o 3.41229  0.0820412 11.6577      0.559896 12.7601      0.806798 10.6335      0.777633 3.56805  0.113059  3.25675  0.119388  
1 1 1 52 8  9  o 1.7443   0.144021  3.05446      0.502434 2.9112       0.718509 3.19153      0.702847 1.6991   0.211439  1.77997  0.197432  
1 1 1 52 8  10 o 3.38151  0.0842864 11.4508      0.570031 10.8225      0.794532 12.1171      0.818283 3.28501  0.120933  3.4762   0.117698  
1 1 1 52 8  11 o 1.46853  0.171114  2.16964      0.502574 2.20894      0.703908 2.12877      0.71779  1.47766  0.238183  1.42729  0.261172  
1 1 1 52 8  12 o 4.07227  0.079476  16.6062      0.647296 16.2784      0.919259 16.9287      0.911618 4.02897  0.114081  4.10896  0.11093   
1 1 1 52 8  13 o 2.00006  0.136701  4.01788      0.54682  3.49761      0.784069 4.51057      0.763002 1.86047  0.210718  2.11571  0.180318  
1 1 1 52 8  14 o 5.48779  0.0830563 30.1699      0.91159  31.1726      1.3253   29.2695      1.25587  5.57306  0.118902  5.40068  0.116269  
1 1 1 52 8  15 o 5.52598  0.0849127 30.5989      0.938451 29.566       1.31717  31.6638      1.3374   5.42623  0.121371  5.61587  0.119074  
1 1 1 52 8  16 o 2.88111  0.110146  8.33136      0.634683 6.71052      0.863024 10.2405      0.936642 2.57954  0.167283  3.18966  0.146825  
1 1 1 52 8  17 o 5.14021  0.0901287 26.4924      0.92656  26.3368      1.29861  26.6537      1.32242  5.11822  0.126861  5.14858  0.128426  
1 1 1 52 8  18 o 0.529279 0.245897  -0.535657    0.626923 -0.373803    0.897357 -0.689979    0.876228 0.691849 0.310788  0.631501 0.292356  
1 1 1 52 8  19 o 2.58332  0.131451  6.71564      0.679161 6.57296      0.903907 6.90062      1.0292   2.54907  0.177301  2.60828  0.197295  
1 1 1 52 8  20 o 3.07467  0.118334  9.50626      0.727677 9.53294      1.0348   9.48016      1.02347  3.07018  0.168525  3.06195  0.167127  
1 1 1 52 8  21 o 1.07174  0.298356  1.23138      0.662714 0.404678     0.923746 2.10813      0.951299 0.860299 0.3473    1.38874  0.343876  
1 1 1 52 8  22 o 4.25453  0.100351  18.1936      0.85389  19.1001      1.18973  17.2305      1.22627  4.34977  0.136758  4.12791  0.148534  
1 1 1 52 8  23 o 4.80881  0.0981307 23.252       0.943784 23.554       1.31041  22.9266      1.36041  4.82778  0.135716  4.76035  0.14289   
1 1 1 52 8  24 f 0.84027  0.317949  0.580295     0.732919 0.521882     0.949161 0.666561     1.15346  0.888363 0.354729  0.978425 0.390935  
1 1 1 52 8  25 o 1.84735  0.210755  3.51627      0.778676 4.15138      1.02848  2.66326      1.19193  1.99265  0.25807   1.52643  0.389171  
1 1 1 52 8  26 f 2.37591  0.175346  5.7759       0.833216 5.13997      1.17709  6.41455      1.1796   2.20876  0.26646   2.48034  0.237791  
1 1 1 52 8  27 o 4.35571  0.123159  19.208       1.07289  19.4431      1.48815  18.9536      1.54822  4.35774  0.170748  4.29686  0.180158  
1 1 1 52 8  28 o 1.87123  0.221506  3.65975      0.828978 5.22934      1.1797   2.12866      1.16514  2.21555  0.266231  1.34205  0.402439  
1 1 1 52 8  29 o 0.799702 0.322588  0.45072      0.796094 -0.634324    1.08407  1.72078      1.17286  0.698184 0.323977  1.20132  0.408286  
1 1 1 52 8  30 o 0.982356 0.337675  1.07881      0.802769 1.18985      1.10776  0.955998     1.16497  1.04446  0.391949  0.995727 0.394435  
1 1 1 52 8  31 o 1.22432  0.33291   1.81498      0.836532 1.1091       1.16834  2.55751      1.19829  1.01172  0.396776  1.40316  0.404669  
1 1 1 52 8  32 o 1.21649  0.329567  1.84036      0.821678 0.347648     1.14816  3.40743      1.17641  0.834043 0.364287  1.63191  0.369046  
1 1 1 52 8  33 o 0.781103 0.324291  0.509305     0.832849 0.362865     1.15901  0.665658     1.19759  0.820169 0.361858  0.878576 0.377731  
1 1 1 52 8  34 o 0.646888 0.295746  -0.114996    0.863838 0.490173     1.24524  -0.676387    1.19935  0.824803 0.368415  0.669115 0.319875  
1 1 1 52 8  35 o 1.05838  0.372252  1.78419      0.980361 1.83395      1.42637  1.73964      1.34969  1.00745  0.421708  0.997063 0.413319  
1 1 1 52 8  36 o 0.799185 0.3524    0.868733     1.09709  -0.0391015   1.52316  1.84746      1.58152  0.729546 0.351569  0.935544 0.416607  
1 1 1 52 8  37 o 0.638027 0.30618   0.029534     1.12563  -0.168172    1.53402  0.260157     1.65681  0.662027 0.326059  0.698928 0.343673  
1 1 1 52 9  0  o 5.42124  0.101529  29.4439      1.09996  29.4439      1.09996  29.4439      1.09996  5.42372  0.0717306 ?        ?         
1 1 1 52 9  1  o 6.04598  0.0689199 36.5806      0.833377 38.6126      1.26031  35.0018      1.11092  6.20893  0.101491  5.91217  0.0939523 
1 1 1 52 9  2  o 3.346    0.0870171 11.2089      0.582318 12.1913      0.865085 10.3949      0.787426 3.4874   0.12403   3.22033  0.122259  
1 1 1 52 9  3  o 4.78255  0.0722518 22.8917      0.691096 23.2923      1.02032  22.5521      0.939404 4.8219   0.1058    4.74518  0.0989849 
1 1 1 52 9  4  o 4.21343  0.0713921 17.7677      0.601611 16.8076      0.869216 18.6505      0.833519 4.09593  0.106107  4.31532  0.0965767 
1 1 1 52 9  5  o 8.73178  0.0767374 76.3193      1.34011  77.8406      1.94885  74.9547      1.84574  8.81363  0.110559  8.64931  0.106699  
1 1 1 52 9  6  o 5.04293  0.0699684 25.4529      0.705692 24.4136      0.996621 26.4979      0.999382 4.93659  0.100942  5.14335  0.0971529 
1 1 1 52 9  7  o 6.67143  0.0697326 44.5473      0.930433 44.7251      1.30479  44.3633      1.32716  6.68188  0.0976363 6.65454  0.0997183 
1 1 1 52 9  8  o 6.01992  0.0714861 36.2747      0.860682 36.5129      1.27164  36.0734      1.16918  6.03622  0.105334  6.00069  0.0974205 
1 1 1 52 9  9  o 5.64916  0.0730627 31.9469      0.825486 31.3591      1.18226  32.5061      1.15311  5.59371  0.105678  5.69562  0.101228  
1 1 1 52 9  10 o 9.08164  0.0814459 82.5892      1.47932  83.1821      2.20519  82.1042      1.99477  9.10671  0.121075  9.04985  0.11021   
1 1 1 52 9  11 o 1.51714  0.168162  2.31585      0.510252 2.14263      0.730486 2.48089      0.713041 1.43086  0.265218  1.56636  0.227611  
1 1 1 52 9  12 o 3.7587   0.081525  14.1497      0.612855 14.1079      0.874305 14.1901      0.859306 3.75012  0.11657   3.76126  0.114231  
1 1 1 52 9  13 o 6.79882  0.080167  46.2997      1.09008  45.6179      1.50947  47.0428      1.57589  6.74339  0.111922  6.84728  0.115074  
1 1 1 52 9  14 o 4.16646  0.0873744 17.3964      0.728085 17.4036      1.0356   17.3893      1.02384  4.16286  0.124385  4.16135  0.123017  
1 1 1 52 9  15 o 5.47632  0.0896564 30.0617      0.981975 30.4463      1.33132  29.603       1.45425  5.50594  0.120899  5.42649  0.133995  
1 1 1 52 9  16 o 5.57728  0.0857088 31.1789      0.956044 31.4963      1.32898  30.8383      1.37636  5.59946  0.118671  5.53946  0.124233  
1 1 1 52 9  17 o 3.17969  0.11039   10.1539      0.702012 10.5187      1.01615  9.82074      0.970983 3.2291   0.157342  3.12043  0.155585  
1 1 1 52 9  18 o 4.99822  0.108021  25.0865      1.07982  26.9935      1.43235  22.5757      1.64354  5.17766  0.13832   4.72563  0.173896  
1 1 1 52 9  19 o 1.0074   0.298085  1.06774      0.642138 1.16805      0.890566 0.959103     0.926757 1.07371  0.355774  1.01521  0.361438  
1 1 1 52 9  20 o 0.975513 0.298381  0.993181     0.636279 1.10933      0.897119 0.875612     0.902575 1.05464  0.357081  0.984073 0.356055  
1 1 1 52 9  21 o 2.58595  0.138876  6.75144      0.718252 6.826        0.989827 6.66851      1.04385  2.58934  0.191135  2.55609  0.204188  
1 1 1 52 9  22 o 4.75092  0.0944592 22.6792      0.897536 23.4718      1.25363  21.8458      1.28558  4.82291  0.129967  4.65011  0.138231  
1 1 1 52 9  23 o 1.72178  0.211972  3.04274      0.729938 4.40134      0.987674 1.40757      1.08355  2.06349  0.239322  1.15745  0.392433  
1 1 1 52 9  24 o 2.40488  0.159741  5.87758      0.768314 5.86281      1.01123  5.89775      1.1817   2.38712  0.211809  2.38183  0.248066  
1 1 1 52 9  25 f 1.12029  0.319836  1.38842      0.752262 2.82957      1.04241  -0.177769    1.08669  1.59152  0.33772   0.785893 0.348088  
1 1 1 52 9  26 o 3.79777  0.118906  14.5789      0.903154 14.8065      1.23698  14.319       1.32173  3.80971  0.162346  3.73964  0.176719  
1 1 1 52 9  27 o 1.30136  0.314224  1.90575      0.80977  1.19725      1.12319  2.67259      1.16852  1.08081  0.396589  1.51186  0.385257  
1 1 1 52 9  28 o 2.79642  0.153554  8.00717      0.858805 9.3982       1.21426  6.61487      1.21481  3.00445  0.202077  2.49861  0.243098  
1 1 1 52 9  29 o 0.979988 0.337292  1.06127      0.80117  0.801113     1.13212  1.32227      1.13393  0.961016 0.385917  1.08735  0.398529  
1 1 1 52 9  30 o 1.45475  0.291903  2.41715      0.819367 2.96792      1.11259  1.76443      1.2112   1.56602  0.362166  1.19374  0.414344  
1 1 1 52 9  31 f 2.06931  0.210015  4.58862      0.869174 3.76203      1.19094  5.53068      1.2714   1.75232  0.352208  2.20646  0.288107  
1 1 1 52 9  32 o 1.25212  0.325245  1.94782      0.821669 1.95517      1.13205  1.93964      1.19449  1.19959  0.40112   1.18868  0.411582  
1 1 1 52 9  33 o 0.655552 0.298204  -0.115792    0.858574 0.185683     1.2088   -0.422723    1.21969  0.791847 0.357932  0.714754 0.335307  
1 1 1 52 9  34 o 1.23763  0.362652  2.18911      0.954939 3.27409      1.37798  1.18659      1.32458  1.40901  0.440767  0.942035 0.400863  
1 1 1 52 9  35 o 0.717395 0.325346  0.33419      1.00685  2.57895      1.40752  -2.01819     1.44087  1.12447  0.436621  0.593167 0.296056  
1 1 1 52 9  36 o 0.88967  0.376472  1.36085      1.15731  1.8012       1.61184  0.892269     1.6627   0.930299 0.417247  0.82678  0.388636  
1 1 1 52 10 0  o 3.94535  0.115037  15.6224      0.905973 15.6224      0.905973 15.6224      0.905973 3.94893  0.0811904 ?        ?         
1 1 1 52 10 1  o 6.17098  0.0698134 38.1119      0.861635 38.6684      1.2368   37.5871      1.20105  6.21323  0.0995297 6.12589  0.098031  
1 1 1 52 10 2  o 5.29996  0.0704583 28.1131      0.746853 29.0573      1.12633  27.3721      0.997743 5.38549  0.104571  5.2278   0.0954266 
1 1 1 52 10 3  f 3.75162  0.078125  14.0894      0.586191 13.375       0.843236 14.7575      0.815461 3.65299  0.115417  3.83781  0.10624   
1 1 1 52 10 4  o 5.91784  0.0694379 35.0505      0.821844 36.6959      1.27317  33.875       1.07606  6.0518   0.105189  5.81583  0.0925116 
1 1 1 52 10 5  o 2.94019  0.0905666 8.6575       0.532565 8.91253      0.784584 8.4396       0.725235 2.98071  0.13161   2.90099  0.124998  
1 1 1 52 10 6  f 10.3438  0.0828776 107.132      1.71454  106.874      2.40917  107.397      2.44059  10.3248  0.116669  10.3498  0.117905  
1 1 1 52 10 7  o 5.04615  0.070396  25.4882      0.710457 25.2404      0.991875 25.7492      1.01812  5.01922  0.0988076 5.06941  0.100418  
1 1 1 52 10 8  o 4.09186  0.0772891 16.7634      0.632511 16.0955      0.886204 17.4569      0.903046 4.00702  0.110582  4.17325  0.108194  
1 1 1 52 10 9  o 10.2505  0.091623  105.255      1.87836  104.494      2.48254  106.275      2.87277  10.2066  0.121614  10.2883  0.139614  
1 1 1 52 10 10 o 3.52417  0.0873696 12.4404      0.61581  12.0276      0.853156 12.8894      0.889772 3.4624   0.123203  3.58421  0.124124  
1 1 1 52 10 11 f 2.20345  0.121968  4.87198      0.5375   5.32339      0.750981 4.39786      0.769641 2.30015  0.163246  2.0889   0.184222  
1 1 1 52 10 12 o 1.61238  0.16708   2.61805      0.538795 2.11316      0.761852 3.12326      0.76209  1.41665  0.278825  1.75694  0.21688   
1 1 1 52 10 13 o 4.77029  0.0847436 22.8008      0.808503 22.2051      1.13068  23.424       1.15655  4.70295  0.120209  4.83038  0.119717  
1 1 1 52 10 14 o 1.80078  0.157542  3.26633      0.567395 3.14931      0.809689 3.37924      0.795339 1.76116  0.229874  1.82573  0.217814  
1 1 1 52 10 15 o 1.98433  0.145638  3.96364      0.577988 3.99237      0.81305  3.93427      0.821818 1.98506  0.204792  1.97009  0.208574  
1 1 1 52 10 16 o 2.16264  0.142529  4.70929      0.616475 4.22632      0.878135 5.17863      0.865652 2.03964  0.215268  2.26148  0.191391  
1 1 1 52 10 17 o 2.55024  0.134633  6.54612      0.686694 5.60515      1.0217   7.3214       0.927396 2.34746  0.217618  2.69137  0.17229   
1 1 1 52 10 18 o 3.1368   0.119528  9.8917       0.749869 9.23345      1.07982  10.5048      1.04213  3.02068  0.178738  3.22542  0.16155   
1 1 1 52 10 19 o 2.24128  0.147123  5.06669      0.659485 4.8719       0.94062  5.25502      0.924883 2.18704  0.215044  2.27359  0.203397  
1 1 1 52 10 20 o 2.54937  0.131663  6.55076      0.671317 6.51633      0.921743 6.58965      0.979674 2.53363  0.181902  2.54558  0.192426  
1 1 1 52 10 21 o 2.75143  0.128762  7.63409      0.708559 8.41079      0.983076 6.79438      1.02218  2.87891  0.170737  2.58104  0.198016  
1 1 1 52 10 22 o 0.984744 0.309984  1.02254      0.680142 0.712038     0.924836 1.38828      1.00373  0.932937 0.355941  1.14433  0.377703  
1 1 1 52 10 23 o 0.952203 0.325004  0.912692     0.74318  0.0624244    0.967634 2.13566      1.16049  0.792166 0.340021  1.37577  0.39871   
1 1 1 52 10 24 o 2.10908  0.177807  4.54259      0.75002  4.97015      1.01571  4.02991      1.11222  2.19018  0.231878  1.95504  0.284451  
1 1 1 52 10 25 o 1.66401  0.229197  2.87815      0.762771 1.69847      1.03547  4.27781      1.12789  1.22799  0.381671  2.0098   0.280597  
1 1 1 52 10 26 o 2.19811  0.183268  4.9596       0.805685 4.51341      1.10525  5.46555      1.17694  2.06702  0.267354  2.2787   0.258249  
1 1 1 52 10 27 o 2.84444  0.149912  8.25158      0.852831 7.49228      1.14164  9.21033      1.28285  2.68392  0.212681  2.97415  0.215666  
1 1 1 52 10 28 o 1.87133  0.218171  3.68428      0.816537 3.3913       1.13203  4.00204      1.17891  1.71336  0.342463  1.90291  0.309765  
1 1 1 52 10 29 f 0.605992 0.281319  -0.529565    0.818517 -0.213435    1.17904  -0.823659    1.13721  0.784413 0.354093  0.688781 0.32324   
1 1 1 52 10 30 o 0.92227  0.340475  0.907574     0.829132 2.34934      1.10899  -0.919811    1.24851  1.36421  0.387971  0.706957 0.333609  
1 1 1 52 10 31 o 1.73878  0.246299  3.34708      0.856522 4.0718       1.19616  2.58446      1.22704  1.82452  0.340463  1.37873  0.4129    
1 1 1 52 10 32 o 1.25066  0.32665   1.9564       0.825905 2.3783       1.13798  1.48683      1.20054  1.31652  0.398314  1.06621  0.405904  
1 1 1 52 10 33 o 1.18776  0.354819  1.9494       0.906879 2.02289      1.21716  1.8577       1.35969  1.14597  0.413589  1.09085  0.427989  
1 1 1 52 10 34 o 0.687529 0.312479  0.0471217    0.93825  0.975427     1.39709  -0.715513    1.2663   0.902915 0.397967  0.674857 0.324071  
1 1 1 52 10 35 o 0.559228 0.273575  -0.980953    1.02355  -0.990497    1.36893  -0.968853    1.54142  0.637198 0.313021  0.668367 0.329217  
1 1 1 52 10 36 o 0.563483 0.278853  -1.25555     1.16803  -1.65535     1.60907  -0.810229    1.69822  0.622078 0.310821  0.681795 0.33712   
1 1 1 52 11 0  o 10.855   0.12719   118.051      2.76046  118.051      2.76046  118.051      2.76046  10.8601  0.0898816 ?        ?         
1 1 1 52 11 1  o 3.18801  0.0852265 10.1767      0.543406 10.7083      0.766352 9.63911      0.77065  3.2683   0.11724   3.10037  0.124284  
1 1 1 52 11 2  o 2.16258  0.113382  4.68767      0.490395 4.56183      0.701116 4.80821      0.686171 2.1306   0.164535  2.18787  0.156813  
1 1 1 52 11 3  o 1.42074  0.162241  2.0283       0.461005 1.89023      0.633922 2.18329      0.671631 1.34696  0.24431   1.47053  0.228363  
1 1 1 52 11 4  o 4.37385  0.074398  19.1505      0.650812 19.7968      0.966554 18.6145      0.880259 4.44442  0.108738  4.31022  0.102113  
1 1 1 52 11 5  o 3.39095  0.0841225 11.5143      0.57051  11.7761      0.810332 11.257       0.80336  3.427    0.118228  3.35049  0.119887  
1 1 1 52 11 6  o 4.54171  0.0738059 20.6495      0.67041  20.4518      0.958823 20.8387      0.937735 4.51732  0.106127  4.56016  0.102818  
1 1 1 52 11 7  o 6.75092  0.0727841 45.6243      0.98272  46.2335      1.42123  45.0662      1.36032  6.79197  0.104626  6.70613  0.101424  
1 1 1 52 11 8  o 4.16431  0.0764028 17.3627      0.636329 17.9615      0.914174 16.7999      0.886284 4.23296  0.107983  4.09377  0.108248  
1 1 1 52 11 9  o 7.84009  0.0825726 61.5593      1.29475  59.7687      1.7725   63.6077      1.89583  7.7199   0.114801  7.96311  0.119038  
1 1 1 52 11 10 o 5.65894  0.0767269 32.0677      0.868387 32.0837      1.22849  32.0517      1.22768  5.65647  0.108592  5.65366  0.108574  
1 1 1 52 11 11 o 6.33528  0.0799282 40.2002      1.01274  39.5237      1.43321  40.8749      1.43124  6.27654  0.114172  6.38331  0.112108  
1 1 1 52 11 12 o 5.55026  0.0809374 30.8607      0.898447 29.4135      1.24289  32.4446      1.30024  5.41373  0.114791  5.68593  0.114338  
1 1 1 52 11 13 o 3.13391  0.0996714 9.84967      0.624723 9.37412      0.888022 10.3156      0.87903  3.05245  0.145461  3.20314  0.137214  
1 1 1 52 11 14 o 2.33977  0.122501  5.4998       0.573247 5.83588      0.819116 5.1772       0.802525 2.40503  0.170292  2.26441  0.177204  
1 1 1 52 11 15 o 0.976106 0.273945  1.0045       0.556485 1.16082      0.800889 0.858586     0.773788 1.06185  0.33665   0.953042 0.331143  
1 1 1 52 11 16 o 4.63304  0.123313  21.5829      1.14262  17.9454      1.6815   24.7034      1.55744  4.20581  0.199903  4.94806  0.157379  
1 1 1 52 11 17 o 1.85444  0.180765  3.47923      0.670437 2.76739      0.976585 4.1138       0.922048 1.60986  0.314533  2.00918  0.229458  
1 1 1 52 11 18 o 2.41269  0.136318  5.86382      0.657789 5.21713      0.938032 6.48949      0.922666 2.265    0.207071  2.53089  0.182281  
1 1 1 52 11 19 o 1.38258  0.227718  1.95259      0.62968  2.20235      0.915788 1.72862      0.8672   1.4258   0.327805  1.26263  0.337009  
1 1 1 52 11 20 o 2.32262  0.145646  5.45177      0.676561 4.86409      0.916857 6.15431      1.00247  2.18166  0.210129  2.45549  0.204128  
1 1 1 52 11 21 o 1.54292  0.213267  2.4389       0.658107 2.30201      0.907098 2.59103      0.956252 1.45137  0.321045  1.54186  0.320725  
1 1 1 52 11 22 o 3.15558  0.127401  10.0525      0.804047 10.9117      1.09048  9.02882      1.19025  3.27675  0.166397  2.96998  0.20038   
1 1 1 52 11 23 o 1.0595   0.313661  1.2167       0.710857 1.68787      0.936571 0.576408     1.09179  1.23268  0.35849   0.940167 0.378385  
1 1 1 52 11 24 o 3.14368  0.130993  10.0049      0.823597 10.132       1.09901  9.84205      1.24388  3.14881  0.174512  3.09258  0.201107  
1 1 1 52 11 25 o 0.689389 0.299958  -0.0353663   0.772454 0.598041     1.07662  -0.707362    1.10893  0.932907 0.375629  0.713052 0.329645  
1 1 1 52 11 26 o 0.770419 0.313694  0.338838     0.761768 0.417367     1.03584  0.246346     1.12417  0.875946 0.362538  0.866768 0.36908   
1 1 1 52 11 27 o 1.37983  0.2999    2.13582      0.804483 2.55388      1.08634  1.62813      1.19713  1.47743  0.368476  1.19431  0.412181  
1 1 1 52 11 28 o 3.19528  0.139308  10.4413      0.890254 11.106       1.23786  9.72917      1.28128  3.26471  0.189582  3.04131  0.210646  
1 1 1 52 11 29 o 2.27938  0.185088  5.42597      0.84377  5.30862      1.19526  5.54253      1.19129  2.20102  0.271524  2.25421  0.264237  
1 1 1 52 11 30 o 1.40235  0.311578  2.32549      0.850931 1.03972      1.13074  4.00448      1.29214  0.98963  0.389678  1.79909  0.371761  
1 1 1 52 11 31 o 2.77911  0.163     8.10359      0.90599  8.1809       1.25996  8.02082      1.30369  2.72912  0.230836  2.69003  0.242319  
1 1 1 52 11 32 o 1.20653  0.351749  1.92371      0.9006   2.93292      1.23014  0.757955     1.32211  1.4344   0.408833  0.911645 0.394477  
1 1 1 52 11 33 o 0.969399 0.351241  1.28994      0.878606 2.05514      1.21513  0.451605     1.27188  1.14026  0.413075  0.822999 0.369841  
1 1 1 52 11 34 o 0.985567 0.377337  1.5361       1.04234  0.235786     1.39668  3.17077      1.56598  0.781479 0.364591  1.25417  0.466928  
1 1 1 52 11 35 o 0.672808 0.315117  0.0565172    1.06134  0.429196     1.49105  -0.326244    1.51108  0.767546 0.363143  0.703164 0.341334  
1 1 1 52 11 36 o 0.750686 0.34122   0.892605     1.11945  2.16651      1.4681   -0.876937    1.73029  0.90062  0.401214  0.647149 0.323201  
1 1 1 52 12 0  o 3.36837  0.126053  11.4108      0.846487 11.4108      0.846487 11.4108      0.846487 3.3732   0.0888617 ?        ?         
1 1 1 52 12 1  o 6.42246  0.0689398 41.2859      0.885526 40.9239      1.26731  41.6311      1.23785  6.39113  0.0991464 6.44649  0.0960097 
1 1 1 52 12 2  o 3.87935  0.0737956 15.0653      0.572558 15.6606      0.819964 14.4989      0.79985  3.95322  0.103708  3.80365  0.105142  
1 1 1 52 12 3  o 5.0239   0.0714389 25.265       0.717803 25.5536      0.998112 24.9559      1.03304  5.05019  0.0988192 4.99032  0.103505  
1 1 1 52 12 4  o 2.02478  0.117677  4.1111       0.476542 2.98152      0.618873 5.75638      0.7469   1.72116  0.179783  2.39344  0.156031  
1 1 1 52 12 5  o 2.29837  0.109622  5.29545      0.503904 4.04216      0.708529 6.57817      0.716799 2.00417  0.176763  2.55971  0.140016  
1 1 1 52 12 6  o 1.06273  0.231056  1.18609      0.477379 0.890686     0.666146 1.49796      0.684457 0.948251 0.307678  1.19013  0.289844  
1 1 1 52 12 7  o 7.68211  0.0807797 59.0972      1.24112  58.8891      1.86944  59.2612      1.65964  7.66182  0.121997  7.68862  0.107928  
1 1 1 52 12 8  o 8.20119  0.0785449 67.3525      1.28832  66.2701      1.80012  68.489       1.84462  8.12953  0.110715  8.26433  0.111601  
1 1 1 52 12 9  o 3.1581   0.089605  9.99254      0.565963 9.23162      0.756911 10.9574      0.852345 3.03278  0.124788  3.30371  0.128998  
1 1 1 52 12 10 o 2.6087   0.106056  6.8247       0.553338 6.58711      0.775687 7.07087      0.789574 2.55913  0.151553  2.65171  0.14888   
1 1 1 52 12 11 o 2.36789  0.123249  5.63027      0.583681 6.07389      0.825994 5.18782      0.824907 2.4551   0.16822   2.26751  0.181897  
1 1 1 52 12 12 o 6.99632  0.0882774 49.0585      1.23523  49.3105      1.73169  48.7974      1.76249  7.00684  0.123571  6.96958  0.126441  
1 1 1 52 12 13 o 0.984711 0.272527  1.02217      0.554559 2.30148      0.78964  -0.222886    0.778998 1.47717  0.277497  0.667966 0.295431  
1 1 1 52 12 14 o 2.25697  0.125437  5.11996      0.566218 4.55821      0.795925 5.69555      0.80567  2.12274  0.187476  2.37531  0.169593  
1 1 1 52 12 15 o 5.0677   0.0833575 25.7452      0.844862 25.7228      1.23587  25.7648      1.1576   5.05825  0.122164  5.06406  0.114295  
1 1 1 52 12 16 o 3.15698  0.119671  10.0176      0.755598 9.56256      1.10076  10.4231      1.03906  3.07458  0.17901   3.21334  0.161679  
1 1 1 52 12 17 o 4.83258  0.0975582 23.439       0.942917 23.2721      1.30677  23.6202      1.36191  4.8071   0.135921  4.84171  0.140643  
1 1 1 52 12 18 o 3.64966  0.0984346 13.3718      0.718506 12.678       1.01074  14.0806      1.02159  3.54607  0.142515  3.73831  0.136638  
1 1 1 52 12 19 o 2.58581  0.12732   6.73802      0.658449 6.3978       0.907988 7.11537      0.956263 2.50999  0.180874  2.64707  0.180627  
1 1 1 52 12 20 o 2.47247  0.142697  6.17652      0.705629 5.84389      0.979908 6.53477      1.01694  2.39194  0.204835  2.53038  0.200947  
1 1 1 52 12 21 f 1.02917  0.296661  1.14096      0.644159 1.63691      0.882738 0.576044     0.942115 1.21961  0.345914  0.901969 0.355524  
1 1 1 52 12 22 o 2.37443  0.163506  5.72964      0.776468 5.77808      1.04281  5.66936      1.16321  2.36888  0.220107  2.33713  0.248854  
1 1 1 52 12 23 o 2.6104   0.142417  6.90659      0.743528 7.21085      1.02044  6.56222      1.0856   2.65264  0.192344  2.52287  0.215152  
1 1 1 52 12 24 o 3.30106  0.126673  11.028       0.836312 12.6128      1.19302  9.49679      1.17269  3.51379  0.169762  3.03968  0.192897  
1 1 1 52 12 25 o 2.32328  0.172681  5.52185      0.802374 5.42992      1.09911  5.62674      1.17405  2.27958  0.241077  2.31526  0.253546  
1 1 1 52 12 26 o 1.08204  0.32975   1.30679      0.77805  2.16346      1.05589  0.289021     1.1509   1.36391  0.375425  0.881277 0.374294  
1 1 1 52 12 27 o 0.616742 0.281136  -0.367132    0.771847 -0.759999    1.05866  0.078662     1.12772  0.675324 0.315978  0.826124 0.360927  
1 1 1 52 12 28 o 2.67117  0.159671  7.35826      0.853017 7.69537      1.19181  7.00419      1.22143  2.69467  0.221143  2.55895  0.238658  
1 1 1 52 12 29 o 1.19039  0.329124  1.6851       0.809301 2.13823      1.12198  1.19363      1.16848  1.30304  0.395759  1.0431   0.399473  
1 1 1 52 12 30 o 0.875405 0.334172  0.794084     0.81553  0.207914     1.12142  1.45209      1.18814  0.813071 0.35753   1.083    0.406017  
1 1 1 52 12 31 o 1.00501  0.344301  1.25149      0.834054 1.88645      1.12749  0.484077     1.23952  1.17939  0.40031   0.87168  0.379634  
1 1 1 52 12 32 o 0.59455  0.280399  -0.571289    0.879504 -0.886827    1.23946  -0.251283    1.2482   0.670181 0.321532  0.741374 0.34541   
1 1 1 52 12 33 o 0.761746 0.326604  0.484296     0.891061 -0.848674    1.18818  2.19748      1.34702  0.646696 0.311366  1.14623  0.4318    
1 1 1 52 12 34 o 0.914475 0.370455  1.35125      1.05615  0.895831     1.36527  2.02994      1.66667  0.837857 0.379473  0.989449 0.435474  
1 1 1 52 12 35 o 1.51154  0.380484  3.67585      1.15026  5.2252       1.58821  1.96659      1.66816  1.63805  0.463792  0.952336 0.425868  
1 1 1 52 13 0  o 3.9373   0.111284  15.5589      0.874733 15.5589      0.874733 15.5589      0.874733 3.94091  0.0785459 ?        ?         
1 1 1 52 13 1  o 4.2715   0.0754617 18.2669      0.644669 18.1018      0.88124  18.4569      0.945554 4.24999  0.103675  4.29088  0.110182  
1 1 1 52 13 2  o 4.5977   0.0705278 21.1604      0.648531 20.1678      0.886665 22.3023      0.951038 4.4864   0.098817  4.71765  0.100796  
1 1 1 52 13 3  o 1.77455  0.137183  3.16128      0.486877 3.51311      0.663656 2.75123      0.716468 1.86828  0.177611  1.65071  0.217018  
1 1 1 52 13 4  o 0.607533 0.243011  0.185834     0.446405 0.552628     0.605718 -0.250239    0.660449 0.806791 0.291705  0.605241 0.269379  
1 1 1 52 13 5  o 9.50624  0.0808272 90.4948      1.53672  90.8092      2.19337  90.1916      2.15369  9.51598  0.115247  9.48396  0.113544  
1 1 1 52 13 6  f 4.14796  0.0761272 17.2276      0.631545 17.768       0.87261  16.6332      0.91519  4.21024  0.103629  4.07273  0.112356  
1 1 1 52 13 7  o 3.47571  0.0809898 12.0988      0.562995 12.0951      0.809458 12.1024      0.783563 3.47238  0.116557  3.47377  0.112783  
1 1 1 52 13 8  o 3.50405  0.0834269 12.2991      0.584664 12.1028      0.828633 12.4936      0.825057 3.47294  0.119299  3.5288   0.116903  
1 1 1 52 13 9  o 6.17876  0.0769323 38.2354      0.950693 39.517       1.43776  37.2396      1.26729  6.2757   0.114549  6.09399  0.103978  
1 1 1 52 13 10 o 1.25482  0.198242  1.59164      0.497515 0.924696     0.698264 2.27934      0.709045 0.96408  0.315029  1.49832  0.236613  
1 1 1 52 13 11 o 1.94179  0.13744   3.79114      0.533759 4.23598      0.781148 3.40153      0.73104  2.0475   0.190757  1.83391  0.199312  
1 1 1 52 13 12 o 1.58184  0.169495  2.52408      0.536228 3.57184      0.772827 1.55134      0.744641 1.87789  0.20577   1.20537  0.307772  
1 1 1 52 13 13 o 3.19405  0.0983046 10.2337      0.627981 10.0967      0.892877 10.3679      0.883396 3.16727  0.140954  3.21001  0.1376    
1 1 1 52 13 14 o 2.25968  0.132069  5.13736      0.596869 4.37833      0.853848 5.86268      0.834677 2.07702  0.205546  2.40857  0.173272  
1 1 1 52 13 15 o 1.37214  0.223925  1.91665      0.61451  1.37238      0.937396 2.32682      0.813757 1.14784  0.364242  1.48084  0.28493   
1 1 1 52 13 16 o 3.07862  0.112123  9.52232      0.690367 10.2215      1.00008  8.88585      0.954186 3.18241  0.157126  2.96656  0.160824  
1 1 1 52 13 17 o 2.68969  0.124998  7.27945      0.672415 7.67386      0.949558 6.88273      0.952324 2.75385  0.172405  2.60615  0.182707  
1 1 1 52 13 18 o 3.63131  0.104666  13.2497      0.760146 13.7736      1.04433  12.6595      1.10856  3.69506  0.141314  3.53894  0.156623  
1 1 1 52 13 19 o 2.01622  0.165812  4.12138      0.668628 4.29322      0.947635 3.95102      0.943544 2.04466  0.231735  1.95944  0.240769  
1 1 1 52 13 20 o 2.4605   0.143321  6.1223       0.705284 6.50475      0.999825 5.7435       0.995036 2.52331  0.198118  2.36794  0.210106  
1 1 1 52 13 21 o 1.98236  0.185086  4.00909      0.733814 4.96957      0.970645 2.72782      1.12107  2.19787  0.220815  1.56323  0.364871  
1 1 1 52 13 22 o 1.67821  0.207599  2.89366      0.696789 3.70561      0.939913 1.90299      1.03822  1.88779  0.248945  1.30239  0.377018  
1 1 1 52 13 23 o 3.46462  0.115765  12.1194      0.802164 12.7632      1.09458  11.3726      1.17898  3.54232  0.1545    3.33512  0.176752  
1 1 1 52 13 24 o 3.20512  0.130271  10.4053      0.835067 11.6558      1.16731  9.09443      1.19511  3.37589  0.172889  2.97031  0.201176  
1 1 1 52 13 25 o 2.5134   0.158235  6.45128      0.795417 5.70423      1.07174  7.3674       1.18682  2.33696  0.229302  2.65887  0.223182  
1 1 1 52 13 26 o 2.05987  0.188369  4.38445      0.776029 4.8449       1.05702  3.8461       1.14294  2.14075  0.246882  1.8814   0.303748  
1 1 1 52 13 27 o 1.28384  0.308963  1.89136      0.784894 1.77671      1.08478  2.01733      1.13709  1.21779  0.392378  1.2874   0.399925  
1 1 1 52 13 28 o 2.53535  0.163664  6.64563      0.829889 7.54616      1.13108  5.59554      1.2214   2.67218  0.21164   2.26331  0.269825  
1 1 1 52 13 29 o 0.866406 0.32991   0.748681     0.793225 1.77042      1.0883   -0.409263    1.15857  1.18601  0.393293  0.738828 0.339747  
1 1 1 52 13 30 o 0.810601 0.324486  0.597084     0.796785 0.437741     1.10159  0.771914     1.15388  0.841115 0.361966  0.916091 0.381107  
1 1 1 52 13 31 o 0.715319 0.311694  0.181486     0.836454 -1.12206     1.08713  2.07289      1.30952  0.613093 0.295834  1.19911  0.429368  
1 1 1 52 13 32 o 1.20834  0.357932  2.03215      0.925504 0.625184     1.25022  3.73796      1.37661  0.854477 0.376562  1.56251  0.428039  
1 1 1 52 13 33 o 1.62485  0.302452  3.37637      0.946197 2.66836      1.24562  4.34222      1.45486  1.27595  0.42076   1.64794  0.434991  
1 1 1 52 13 34 o 0.859237 0.36249   1.15713      1.0676   -0.696646    1.45882  3.29483      1.56655  0.673858 0.328968  1.19704  0.461486  
1 1 1 52 13 35 f 1.12585  0.39649   2.42648      1.11251  3.02333      1.51553  1.72903      1.63827  1.11267  0.446637  0.894494 0.408253  
1 1 1 52 14 0  o 4.61463  0.101123  21.3486      0.932278 21.3486      0.932278 21.3486      0.932278 4.61756  0.0714204 ?        ?         
1 1 1 52 14 1  o 4.81801  0.0737274 23.2402      0.710439 22.6559      0.965893 23.929       1.04862  4.75461  0.101574  4.88575  0.107314  
1 1 1 52 14 2  o 7.87802  0.0738527 62.1363      1.16362  62.1958      1.67972  62.0813      1.61351  7.87683  0.106624  7.8703   0.102506  
1 1 1 52 14 3  o 3.44403  0.0860038 11.8806      0.592399 12.5903      0.817722 11.0966      0.859386 3.54314  0.115395  3.32511  0.129227  
1 1 1 52 14 4  o 1.14393  0.208509  1.36205      0.459366 1.18965      0.623295 1.56702      0.67964  1.06295  0.286621  1.21711  0.2841    
1 1 1 52 14 5  o 1.32045  0.173549  1.75571      0.458327 1.50969      0.609184 2.07662      0.695753 1.19637  0.261788  1.40916  0.25634   
1 1 1 52 14 6  o 6.51585  0.0717086 42.5085      0.934485 41.9421      1.29563  43.1226      1.34912  6.46852  0.100148  6.55849  0.102853  
1 1 1 52 14 7  o 1.99421  0.115534  3.99019      0.460799 4.04845      0.612404 3.91417      0.699603 2.00625  0.152624  1.97069  0.177502  
1 1 1 52 14 8  f 8.35604  0.0859834 69.9601      1.43696  66.5854      2.09618  72.952       1.97369  8.14225  0.128722  8.52618  0.115743  
1 1 1 52 14 9  o 4.5789   0.0789256 21.0027      0.722784 22.0441      1.05199  20.0716      0.994749 4.68695  0.112226  4.47249  0.111208  
1 1 1 52 14 10 o 2.06656  0.128143  4.29108      0.529631 3.92896      0.761669 4.63009      0.736965 1.97156  0.193164  2.14263  0.171977  
1 1 1 52 14 11 o 6.96904  0.0908247 48.6896      1.26592  46.3015      1.93015  50.4924      1.677    6.78362  0.142265  7.0907   0.118253  
1 1 1 52 14 12 o 0.909267 0.269299  0.859049     0.523924 -0.0625642   0.786555 1.59409      0.702441 0.703931 0.304427  1.22198  0.291156  
1 1 1 52 14 13 o 1.04125  0.257569  1.15247      0.534115 0.641999     0.822985 1.52394      0.702052 0.897364 0.337619  1.19319  0.295386  
1 1 1 52 14 14 o 3.77047  0.0953752 14.263       0.71922  15.3825      1.11098  13.4553      0.943647 3.90777  0.14215   3.65714  0.129014  
1 1 1 52 14 15 o 0.696572 0.282138  0.225852     0.612475 0.106119     0.913917 0.323468     0.8252   0.792223 0.334859  0.809227 0.327605  
1 1 1 52 14 16 o 1.31321  0.245712  1.81936      0.621442 2.07227      0.886614 1.57512      0.871289 1.38445  0.32535   1.2098   0.343834  
1 1 1 52 14 17 o 2.93134  0.112806  8.6378       0.661343 7.95397      0.951042 9.27811      0.920276 2.80353  0.169615  3.03149  0.151786  
1 1 1 52 14 18 o 1.25568  0.253981  1.68119      0.615541 1.9614       0.881926 1.41504      0.859519 1.33912  0.330801  1.14703  0.345993  
1 1 1 52 14 19 o 1.93132  0.174278  3.7893       0.673175 4.18642      0.938815 3.36902      0.965785 2.01763  0.232653  1.80185  0.267998  
1 1 1 52 14 20 o 0.755207 0.297947  0.375173     0.662233 0.452968     0.864893 0.264937     1.02956  0.846895 0.338463  0.857216 0.358515  
1 1 1 52 14 21 o 0.917581 0.324304  0.811818     0.744895 1.46486      1.00509  0.0160322    1.10952  1.16456  0.377938  0.833331 0.360992  
1 1 1 52 14 22 o 1.03629  0.306102  1.16556      0.677705 1.82135      0.905254 0.329388     1.02221  1.27642  0.345975  0.863385 0.358912  
1 1 1 52 14 23 o 0.934032 0.32035   0.89002      0.722162 0.163669     0.97875  1.75798      1.06991  0.810066 0.344641  1.24716  0.388034  
1 1 1 52 14 24 o 0.86809  0.318653  0.695471     0.725181 0.934975     0.985993 0.413254     1.07031  0.995602 0.370537  0.890234 0.36849   
1 1 1 52 14 25 o 3.25646  0.126686  10.7543      0.825095 10.8489      1.11682  10.6407      1.22429  3.25183  0.171722  3.21106  0.190637  
1 1 1 52 14 26 o 1.94556  0.201428  3.94511      0.783784 4.16505      1.08766  3.70752      1.13045  1.9643   0.276857  1.80963  0.324067  
1 1 1 52 14 27 o 1.68354  0.233392  3.02215      0.785849 2.89219      1.08055  3.16807      1.14496  1.56225  0.353965  1.63241  0.360351  
1 1 1 52 14 28 o 1.83587  0.216677  3.58227      0.795581 4.20941      1.10014  2.89476      1.15188  1.94998  0.28209   1.53421  0.377479  
1 1 1 52 14 29 o 1.88143  0.221703  3.81834      0.834237 6.37934      1.16491  1.12222      1.19525  2.41498  0.241185  1.01091  0.399819  
1 1 1 52 14 30 o 1.49532  0.276371  2.60581      0.795431 3.06924      1.08263  2.06219      1.17256  1.55706  0.355353  1.22741  0.408234  
1 1 1 52 14 31 o 2.16961  0.218712  5.21683      0.949039 5.314        1.2832   5.09949      1.41003  2.09347  0.306478  1.96131  0.372916  
1 1 1 52 14 32 o 0.692901 0.308232  0.156458     0.863678 0.755963     1.17076  -0.559356    1.2793   0.857953 0.371227  0.699592 0.333468  
1 1 1 52 14 33 o 0.856892 0.355592  1.00772      1.00066  2.10286      1.44879  0.00870968   1.38374  1.05273  0.431283  0.749708 0.353027  
1 1 1 52 14 34 o 0.770652 0.343871  0.710895     1.08235  0.0353607    1.47991  1.48778      1.58705  0.730541 0.350697  0.887682 0.404235  
1 1 1 52 14 35 o 1.44796  0.388433  3.85179      1.14841  2.80793      1.605    4.94688      1.64391  0.962998 0.425227  1.32966  0.48058   
1 1 1 52 15 0  f 5.45418  0.0947464 29.8058      1.03282  29.8058      1.03282  29.8058      1.03282  5.45683  0.0669404 ?        ?         
1 1 1 52 15 1  o 4.79233  0.0718059 22.9938      0.688235 21.7944      0.954259 24.2941      0.993552 4.66281  0.102327  4.92312  0.100907  
1 1 1 52 15 2  o 3.18554  0.0866349 10.1654      0.551957 8.89327      0.766401 11.5363      0.795587 2.97641  0.128746  3.39108  0.117306  
1 1 1 52 15 3  o 3.97824  0.0809009 15.851       0.643686 16.0302      0.901141 15.6642      0.919764 3.99776  0.112706  3.95146  0.116383  
1 1 1 52 15 4  o 0.609817 0.243475  0.192864     0.447104 0.841757     0.596876 -0.636733    0.674887 0.914687 0.29069   0.5407   0.252716  
1 1 1 52 15 5  f 3.0913   0.0849644 9.5735       0.525301 9.26688      0.732438 9.89826      0.7538   3.03863  0.120521  3.14049  0.120013  
1 1 1 52 15 6  o 2.19783  0.108057  4.84522      0.474981 4.99299      0.653562 4.67982      0.69149  2.22827  0.146652  2.15608  0.160358  
1 1 1 52 15 7  o 4.32641  0.0774855 18.7487      0.670469 18.3653      0.938909 19.1477      0.957743 4.27847  0.109725  4.36866  0.109615  
1 1 1 52 15 8  o 6.29489  0.0763248 39.6912      0.960913 40.0096      1.36416  39.3777      1.35377  6.31494  0.108011  6.26487  0.108044  
1 1 1 52 15 9  o 4.47754  0.075379  20.0819      0.675024 20.5711      0.961633 19.6067      0.947775 4.52807  0.106186  4.42051  0.107202  
1 1 1 52 15 10 o 3.74603  0.0941171 14.0709      0.70513  13.8163      0.966354 14.361       1.03121  3.70733  0.13033   3.77875  0.136449  
1 1 1 52 15 11 o 9.18024  0.0909824 84.502       1.67048  86.7345      2.56696  82.862       2.20008  9.28412  0.138244  9.08106  0.121136  
1 1 1 52 15 12 o 2.24063  0.117299  5.04442      0.525649 4.34667      0.808036 5.55633      0.692114 2.07112  0.195072  2.34828  0.147366  
1 1 1 52 15 13 o 4.55561  0.0850229 20.8076      0.774663 21.1303      1.2092   20.583       1.00888  4.58234  0.131942  4.52667  0.111438  
1 1 1 52 15 14 o 2.25373  0.131403  5.11101      0.592294 6.04153      0.900064 4.40028      0.786613 2.44287  0.184223  2.08419  0.18871   
1 1 1 52 15 15 o 3.59114  0.103167  12.9502      0.740974 14.7409      1.0383   11.0919      1.05776  3.82556  0.135706  3.3139   0.159594  
1 1 1 52 15 16 o 3.85998  0.100365  14.9598      0.774815 15.66        1.03634  14.0724      1.16672  3.94344  0.131401  3.73282  0.156278  
1 1 1 52 15 17 f 2.58405  0.124632  6.727        0.644111 7.39383      0.916955 6.07747      0.904983 2.70067  0.169765  2.44537  0.18504   
1 1 1 52 15 18 o 0.950724 0.296291  0.945738     0.623457 0.792163     0.876921 1.10271      0.886561 0.947492 0.350076  1.04451  0.354973  
1 1 1 52 15 19 o 1.21037  0.290487  1.59308      0.695298 1.77224      0.91121  1.34336      1.07574  1.26669  0.348799  1.13948  0.39097   
1 1 1 52 15 20 o 3.42583  0.119354  11.8362      0.81777  13.2116      1.13813  10.3682      1.17579  3.608    0.157723  3.18766  0.184429  
1 1 1 52 15 21 o 0.701403 0.291602  0.174207     0.674844 -0.399517    0.940251 0.783745     0.969153 0.695793 0.315035  0.958672 0.364775  
1 1 1 52 15 22 o 1.11987  0.300614  1.3834       0.687557 2.23033      0.93095  0.367055     1.01982  1.4113   0.334498  0.867833 0.359485  
1 1 1 52 15 23 o 0.488297 0.2371    -1.17619     0.730029 -1.04729     0.998919 -1.32397     1.06953  0.626018 0.296679  0.624046 0.299224  
1 1 1 52 15 24 o 1.81823  0.201963  3.42044      0.73443  2.80306      0.997645 4.15088      1.08515  1.58067  0.326687  1.97527  0.274684  
1 1 1 52 15 25 o 2.7245   0.14461   7.56754      0.787981 8.68163      1.07221  6.25918      1.16193  2.90067  0.184821  2.43819  0.238278  
1 1 1 52 15 26 o 2.0036   0.194773  4.187        0.780494 4.04399      1.06524  4.35276      1.14684  1.92899  0.276113  1.99459  0.287489  
1 1 1 52 15 27 o 3.29724  0.131316  11.1066      0.865957 11.1088      1.1788   11.104       1.2763   3.26691  0.180415  3.25467  0.196072  
1 1 1 52 15 28 o 0.525184 0.251764  -0.878195    0.75608  -0.790443    1.0134   -0.98837     1.13551  0.641557 0.302104  0.661887 0.314923  
1 1 1 52 15 29 o 0.768938 0.316779  0.436551     0.785959 -0.361825    1.05953  1.41341      1.17199  0.702854 0.323894  1.06545  0.402382  
1 1 1 52 15 30 o 1.47336  0.295286  2.59085      0.839434 3.86151      1.12292  0.981369     1.2638   1.77363  0.328901  0.962935 0.39961   
1 1 1 52 15 31 o 0.640314 0.294098  -0.202379    0.865317 -0.446048    1.17396  0.0875012    1.28045  0.695867 0.326942  0.78691  0.359888  
1 1 1 52 15 32 o 1.1655   0.355771  1.93789      0.90519  2.42232      1.16408  1.19693      1.43965  1.24119  0.406754  0.944805 0.41027   
1 1 1 52 15 33 o 0.710802 0.327772  0.210945     1.08737  1.42478      1.60119  -0.827971    1.48134  0.906327 0.410695  0.675565 0.330166  
1 1 1 52 15 34 o 0.67051  0.31361   0.0471404    1.04164  0.106275     1.42174  -0.0213857   1.53048  0.732876 0.349858  0.733591 0.353247  
1 1 1 52 16 0  o 5.09265  0.096769  25.9937      0.98482  25.9937      0.98482  25.9937      0.98482  5.09554  0.0683593 ?        ?         
1 1 1 52 16 1  o 1.11828  0.227882  1.31185      0.492    1.69001      0.668759 0.865709     0.726394 1.26444  0.272239  0.949288 0.321312  
1 1 1 52 16 2  f 3.63327  0.0815649 13.2231      0.592694 13.5114      0.82447  12.9148      0.852632 3.66989  0.112329  3.58727  0.118841  
1 1 1 52 16 3  o 2.55144  0.105596  6.52876      0.538844 6.71658      0.751357 6.32986      0.773194 2.58457  0.145354  2.50822  0.154132  
1 1 1 52 16 4  o 3.92822  0.0781107 15.4561      0.613672 14.8583      0.851297 16.1029      0.885437 3.8484   0.110604  4.00635  0.110504  
1 1 1 52 16 5  o 5.26376  0.0720711 27.7469      0.758731 27.1327      1.07426  28.3582      1.07176  5.20133  0.103268  5.31787  0.10077   
1 1 1 52 16 6  o 2.23842  0.107016  5.02674      0.479096 5.81415      0.646709 4.06894      0.713256 2.40517  0.134441  2.00831  0.177577  
1 1 1 52 16 7  o 2.21583  0.10435   4.92546      0.462445 4.45373      0.593532 5.65423      0.73773  2.10436  0.141025  2.36959  0.155666  
1 1 1 52 16 8  o 2.35003  0.136889  5.55371      0.643386 4.73467      0.912725 6.36263      0.90707  2.16155  0.211127  2.51019  0.180678  
1 1 1 52 16 9  o 6.63747  0.083798  44.1526      1.11241  43.407       1.59161  44.8646      1.5554   6.57328  0.121066  6.68391  0.116354  
1 1 1 52 16 10 o 0.860703 0.288856  0.71965      0.587055 1.80299      0.860182 -0.224889    0.803188 1.29487  0.330885  0.678077 0.299932  
1 1 1 52 16 11 o 2.81033  0.120204  7.93787      0.675627 8.38892      0.998061 7.55636      0.917923 2.88116  0.173205  2.73534  0.16779   
1 1 1 52 16 12 o 5.37809  0.0891884 29.0066      0.959326 28.0631      1.43731  29.7646      1.28828  5.27977  0.136115  5.4419   0.118367  
1 1 1 52 16 13 o 2.58978  0.119811  6.74161      0.620566 6.65098      0.82873  6.85728      0.936309 2.56682  0.161432  2.60338  0.179826  
1 1 1 52 16 14 o 2.46648  0.11535   6.11501      0.569019 5.95265      0.859217 6.24184      0.75942  2.42503  0.177156  2.4871   0.152672  
1 1 1 52 16 15 o 2.34412  0.126323  5.53008      0.592233 5.25134      0.860704 5.78072      0.816158 2.27517  0.189152  2.39026  0.170726  
1 1 1 52 16 16 o 2.90492  0.113437  8.48821      0.659054 8.10259      0.915739 8.90256      0.949251 2.82962  0.161813  2.96641  0.16      
1 1 1 52 16 17 o 2.35505  0.144954  5.60501      0.682749 5.1349       0.908778 6.21419      1.0345   2.24299  0.202582  2.46568  0.209779  
1 1 1 52 16 18 o 1.47738  0.229856  2.24569      0.679171 2.00222      0.907127 2.55625      1.02454  1.348    0.337028  1.52279  0.344425  
1 1 1 52 16 19 f 2.14065  0.167113  4.65732      0.715462 4.8295       0.948545 4.43008      1.08971  2.16739  0.218822  2.063    0.264109  
1 1 1 52 16 20 o 1.04727  0.310425  1.1856       0.695975 2.21423      0.981489 0.145289     0.987049 1.40817  0.34966   0.814971 0.346395  
1 1 1 52 16 21 f 1.01235  0.305287  1.10848      0.669227 0.918406     0.926208 1.31611      0.968036 0.984441 0.360243  1.1096   0.370926  
1 1 1 52 16 22 o 1.73501  0.213698  3.11365      0.741533 3.37202      1.00451  2.80425      1.09926  1.78393  0.281545  1.57397  0.357288  
1 1 1 52 16 23 o 0.817846 0.312372  0.549523     0.712923 -0.0153771   0.986238 1.16776      1.03175  0.776177 0.338331  1.06712  0.381218  
1 1 1 52 16 24 o 3.38125  0.123011  11.5852      0.831864 12.0478      1.12909  11.0359      1.23028  3.43031  0.164576  3.27147  0.188032  
1 1 1 52 16 25 o 0.745245 0.306019  0.306978     0.731104 -0.534872    0.995684 1.29189      1.07697  0.683314 0.31453   1.08746  0.389382  
1 1 1 52 16 26 o 2.00126  0.192209  4.18408      0.769317 4.53041      1.0488   3.78071      1.1319   2.04921  0.255905  1.81483  0.323468  
1 1 1 52 16 27 o 1.66514  0.231759  2.96994      0.771822 3.00822      1.04789  2.92454      1.14109  1.595    0.338719  1.54736  0.372624  
1 1 1 52 16 28 o 1.13657  0.321829  1.55457      0.764706 1.22092      1.02888  1.96636      1.14302  1.0233   0.378975  1.23116  0.403058  
1 1 1 52 16 29 o 0.741961 0.31422   0.317107     0.807278 0.494493     1.04636  0.0562584    1.26887  0.838526 0.356536  0.814652 0.36756   
1 1 1 52 16 30 o 0.969838 0.350258  1.18387      0.873072 1.59708      1.19171  0.705136     1.28273  1.07669  0.40601   0.899254 0.388829  
1 1 1 52 16 31 o 0.633242 0.293311  -0.248029    0.883411 0.0527593    1.18708  -0.621372    1.32253  0.754018 0.345544  0.705432 0.336917  
1 1 1 52 16 32 o 0.959231 0.366391  1.35184      0.980854 1.41776      1.29927  1.26449      1.49565  0.963286 0.402803  0.938958 0.412893  
1 1 1 52 16 33 o 0.600763 0.289634  -0.553264    1.03653  -0.470316    1.53096  -0.623467    1.40844  0.698759 0.340379  0.668533 0.325803  
1 1 1 52 16 34 o 0.592152 0.291658  -0.972595    1.21984  -1.9696      1.81767  -0.155615    1.6454   0.631992 0.31805   0.712002 0.347973  
1 1 1 52 17 0  o 1.91512  0.207237  3.81555      0.772532 3.81555      0.772532 3.81555      0.772532 1.93504  0.142943  ?        ?         
1 1 1 52 17 1  o 5.61412  0.0735007 31.5655      0.825283 30.6489      1.1408   32.5719      1.19537  5.52807  0.103182  5.69858  0.104883  
1 1 1 52 17 2  o 3.02236  0.0954295 9.15787      0.576845 9.38405      0.796559 8.90846      0.836467 3.05617  0.13032   2.97659  0.140508  
1 1 1 52 17 3  o 5.57574  0.0757261 31.1392      0.844459 32.5312      1.24957  29.969       1.14567  5.69403  0.109726  5.46601  0.1048    
1 1 1 52 17 4  o 0.652625 0.248163  0.307785     0.448317 0.564122     0.609598 0.00582726   0.661623 0.809645 0.292648  0.662403 0.282635  
1 1 1 52 17 5  o 5.94077  0.0744992 35.35        0.885165 35.7513      1.29715  35.0003      1.21092  5.96903  0.108657  5.90711  0.102497  
1 1 1 52 17 6  o 1.89086  0.118997  3.59052      0.450014 3.98001      0.594252 3.06683      0.68905  1.98839  0.14943   1.74111  0.197876  
1 1 1 52 17 7  o 3.79567  0.0942602 14.4465      0.71556  13.2753      1.01312  15.6124      1.01079  3.63262  0.139447  3.94125  0.128233  
1 1 1 52 17 8  o 3.21317  0.104454  10.3604      0.671259 10.2884      0.953    10.4313      0.94565  3.19611  0.149087  3.21857  0.146905  
1 1 1 52 17 9  o 3.73661  0.0942025 14.0038      0.703997 13.2951      1.0066   14.6823      0.984954 3.63446  0.13848   3.82101  0.128887  
1 1 1 52 17 10 o 4.30073  0.0906541 18.5504      0.779757 17.6769      1.10819  19.4068      1.09737  4.19129  0.132202  4.39306  0.124898  
1 1 1 52 17 11 o 2.48151  0.13283   6.19694      0.659237 7.33757      0.976248 5.24083      0.893803 2.69282  0.181269  2.27343  0.196576  
1 1 1 52 17 12 o 1.75684  0.191011  3.12715      0.671149 1.70288      1.06983  4.05145      0.861836 1.26409  0.386958  1.99593  0.215899  
1 1 1 52 17 13 o 1.2081   0.296774  1.56764      0.712847 0.684378     1.15286  2.11438      0.907024 0.99918  0.39346   1.39827  0.329381  
1 1 1 52 17 14 o 2.12193  0.168443  4.55374      0.714851 3.58111      1.03046  5.45605      0.99251  1.86387  0.27643   2.31445  0.214416  
1 1 1 52 17 15 o 3.80949  0.0906455 14.5651      0.690626 14.6952      0.99346  14.4434      0.960746 3.81908  0.130065  3.78691  0.126851  
1 1 1 52 17 16 f 3.49693  0.101505  12.2917      0.70991  11.803       0.991331 12.8061      1.01709  3.41765  0.145031  3.56048  0.142831  
1 1 1 52 17 17 o 2.48283  0.136929  6.22584      0.679944 7.63174      0.950717 4.75376      0.972837 2.74069  0.173445  2.15121  0.226114  
1 1 1 52 17 18 o 4.25716  0.0986065 18.2253      0.839568 16.6219      1.178    19.8804      1.19688  4.05227  0.145351  4.43541  0.134923  
1 1 1 52 17 19 o 1.60701  0.207345  2.65023      0.666412 2.74567      0.919767 2.54476      0.966895 1.59121  0.299995  1.51987  0.327441  
1 1 1 52 17 20 o 2.23832  0.161285  5.09635      0.722013 5.11557      0.993703 5.07486      1.05085  2.22522  0.223282  2.21168  0.23757   
1 1 1 52 17 21 o 3.73119  0.110213  14.0477      0.82245  11.4279      1.11298  17.1992      1.22071  3.34636  0.166298  4.11373  0.14837   
1 1 1 52 17 22 o 1.54994  0.242754  2.51046      0.752507 2.35478      1.03399  2.68578      1.09724  1.43811  0.359985  1.53616  0.362541  
1 1 1 52 17 23 o 0.742799 0.303068  0.300927     0.712496 0.499598     0.963385 0.0610582    1.05857  0.873167 0.353774  0.811357 0.352055  
1 1 1 52 17 24 o 3.97802  0.112838  16.0147      0.897741 16.8082      1.23656  15.1305      1.30543  4.05562  0.152451  3.83786  0.170072  
1 1 1 52 17 25 o 1.21185  0.306334  1.68308      0.743256 2.88578      1.01531  0.294361     1.09101  1.57986  0.331872  0.849979 0.362813  
1 1 1 52 17 26 o 1.90355  0.200387  3.80549      0.762895 4.79085      1.04796  2.69452      1.11275  2.10876  0.248477  1.48956  0.373794  
1 1 1 52 17 27 o 1.12195  0.319403  1.49241      0.751259 1.0222       1.0019   2.09635      1.13547  0.977318 0.371173  1.28339  0.399835  
1 1 1 52 17 28 o 0.687555 0.299694  0.096568     0.773813 -0.153598    1.01037  0.451486     1.20345  0.719502 0.326128  0.870425 0.376496  
1 1 1 52 17 29 o 1.67853  0.244985  3.14304      0.822431 3.37494      1.06695  2.80351      1.29101  1.65183  0.334638  1.40995  0.423785  
1 1 1 52 17 30 o 0.819006 0.33635   0.670001     0.883323 1.02876      1.18596  0.223002     1.32379  0.93201  0.386963  0.817512 0.371452  
1 1 1 52 17 31 o 1.29894  0.342588  2.31243      0.902875 1.36903      1.19629  3.56105      1.37626  0.975952 0.394716  1.4902   0.434951  
1 1 1 52 17 32 o 0.803754 0.343837  0.813928     0.983665 -0.557215    1.41261  2.10468      1.37057  0.690762 0.334067  1.04384  0.42236   
1 1 1 52 17 33 o 0.956108 0.389386  1.70037      1.17399  2.12165      1.70438  1.32005      1.61941  0.964503 0.43091   0.871658 0.401184  
1 1 1 52 17 34 o 0.716477 0.337076  0.662999     1.25604  -0.231409    2.01783  1.22877      1.60486  0.691248 0.345624  0.771856 0.369238  
1 1 1 52 18 0  o 5.54756  0.106566  30.8606      1.18138  30.8606      1.18138  30.8606      1.18138  5.55141  0.07527   ?        ?         
1 1 1 52 18 1  o 2.99654  0.100831  9.0061       0.604292 8.74492      0.770696 9.42294      0.97364  2.94984  0.130633  3.05839  0.159175  
1 1 1 52 18 2  o 4.09234  0.0814692 16.7801      0.666799 17.6332      0.910515 15.7934      0.979223 4.19193  0.108603  3.96522  0.123477  
1 1 1 52 18 3  o 3.39837  0.0848232 11.5737      0.57652  12.5058      0.848843 10.7757      0.785484 3.52876  0.120275  3.27563  0.119898  
1 1 1 52 18 4  o 5.23098  0.0736057 27.4082      0.770059 28.0679      1.08602  26.7411      1.09206  5.28945  0.102659  5.16242  0.10577   
1 1 1 52 18 5  o 3.25147  0.0819588 10.594       0.532972 11.4183      0.762425 9.80634      0.745339 3.37239  0.113039  3.12459  0.11927   
1 1 1 52 18 6  o 5.15109  0.0796986 26.5873      0.82107  27.33        1.15504  25.8287      1.1674   5.21755  0.110688  5.0714   0.115096  
1 1 1 52 18 7  o 1.61958  0.185974  2.65293      0.602401 3.27221      0.877539 2.10103      0.828427 1.79108  0.244975  1.4021   0.303978  
1 1 1 52 18 8  o 0.763668 0.285712  0.461085     0.587759 -0.22877     0.837492 1.13064      0.82508  0.692488 0.306293  1.05415  0.342444  
1 1 1 52 18 9  o 2.09177  0.146547  4.40943      0.613085 4.83215      0.888554 4.02531      0.847005 2.18185  0.203624  1.99002  0.212813  
1 1 1 52 18 10 o 3.06069  0.111803  9.4098       0.684386 8.23376      0.983711 10.513       0.952767 2.85416  0.172329  3.22969  0.147501  
1 1 1 52 18 11 o 2.57883  0.130278  6.69158      0.671931 6.53146      0.989742 6.82848      0.915144 2.53797  0.194987  2.59834  0.176101  
1 1 1 52 18 12 o 1.4367   0.233839  2.10815      0.671913 1.75369      0.998262 2.40175      0.908521 1.27486  0.3699    1.4951   0.313835  
1 1 1 52 18 13 o 1.97439  0.187387  3.953        0.739949 3.89268      1.10006  4.00284      0.999975 1.94182  0.283256  1.97535  0.253113  
1 1 1 52 18 14 o 2.21688  0.162851  4.97163      0.722045 5.13566      0.993244 4.7878       1.0515   2.24213  0.221495  2.16014  0.243386  
1 1 1 52 18 15 o 1.05196  0.316466  1.17916      0.719719 -0.0712862   1.01168  2.46053      1.02411  0.788297 0.343141  1.4966   0.348356  
1 1 1 52 18 16 o 4.01622  0.0965524 16.2083      0.775551 16.3267      1.19033  16.121       1.02233  4.01768  0.148136  3.99808  0.127853  
1 1 1 52 18 17 o 2.02696  0.161274  4.16967      0.653791 3.86925      1.05727  4.35567      0.831921 1.92582  0.274498  2.06308  0.201621  
1 1 1 52 18 18 o 3.5074   0.105862  12.3845      0.742601 12.3528      1.0151   12.421       1.08921  3.49253  0.145324  3.49893  0.155648  
1 1 1 52 18 19 o 4.40567  0.106743  19.5523      0.940547 21.5839      1.32663  17.499       1.33366  4.61505  0.143729  4.14858  0.160737  
1 1 1 52 18 20 f 3.39953  0.114332  11.6652      0.777352 12.4244      1.08387  10.861       1.11549  3.49489  0.155066  3.26166  0.171     
1 1 1 52 18 21 o 2.09202  0.170054  4.47232      0.711513 3.63734      0.960703 5.48675      1.05892  1.8608   0.258143  2.29661  0.230539  
1 1 1 52 18 22 o 0.661897 0.286629  -0.00972388  0.699035 0.691965     0.979525 -0.737985    0.9979   0.927765 0.363414  0.6637   0.309074  
1 1 1 52 18 23 o 2.61859  0.150969  6.99496      0.790651 7.30425      1.0837   6.64296      1.15611  2.65415  0.204152  2.51939  0.229441  
1 1 1 52 18 24 o 2.11419  0.180955  4.624        0.76515  5.48417      1.03388  3.58232      1.13774  2.28112  0.226616  1.77167  0.333333  
1 1 1 52 18 25 o 1.9371   0.198483  3.93211      0.768962 4.16979      1.02971  3.63244      1.1562   1.96195  0.26242   1.76728  0.339213  
1 1 1 52 18 26 o 0.618456 0.279904  -0.243317    0.741491 0.334743     0.999887 -0.949644    1.10527  0.822437 0.349072  0.660011 0.31245   
1 1 1 52 18 27 o 0.965151 0.330199  1.07867      0.76713  0.986782     0.996646 1.21225      1.20166  0.958332 0.368376  1.03542  0.403144  
1 1 1 52 18 28 f 0.621091 0.283079  -0.247677    0.781971 -0.346293    1.00654  -0.0975372   1.24195  0.685189 0.31573   0.787295 0.358272  
1 1 1 52 18 29 o 2.39287  0.174147  6.08922      0.833423 6.37896      1.08828  5.67828      1.29604  2.39964  0.226758  2.19044  0.29584   
1 1 1 52 18 30 o 0.733686 0.320374  0.317073     0.887573 0.31197      1.18458  0.323605     1.34022  0.793254 0.356673  0.821299 0.373327  
1 1 1 52 18 31 o 0.919568 0.356087  1.16177      0.934851 1.23397      1.33907  1.09313      1.30572  0.940801 0.401776  0.915299 0.393987  
1 1 1 52 18 32 o 0.525748 0.259956  -1.35155     1.00965  -0.0350652   1.63129  -2.169       1.28544  0.750727 0.362281  0.545015 0.272821  
1 1 1 52 18 33 o 0.587073 0.289149  -1.09508     1.20301  -1.58895     1.74919  -0.651798    1.65717  0.652353 0.325681  0.693665 0.341683  
1 1 1 52 19 0  o 13.8178  0.149397  191.663      4.1276   191.663      4.1276   191.663      4.1276   13.831   0.105525  ?        ?         
1 1 1 52 19 1  o 2.52351  0.118451  6.39602      0.597822 6.57222      0.792838 6.16381      0.910147 2.55398  0.155216  2.46955  0.184274  
1 1 1 52 19 2  f 7.15837  0.0797447 51.3447      1.14168  51.5072      1.58754  51.1707      1.64306  7.16291  0.110817  7.13839  0.115086  
1 1 1 52 19 3  o 2.14603  0.122323  4.62737      0.525018 5.64124      0.728901 3.53422      0.756863 2.36611  0.154029  1.86766  0.202624  
1 1 1 52 19 4  o 4.51588  0.076872  20.4321      0.694288 21.5888      0.966048 19.1964      0.9985   4.63812  0.104142  4.37202  0.114192  
1 1 1 52 19 5  o 3.55942  0.0803585 12.6967      0.572059 13.0935      0.822994 12.3258      0.795723 3.61061  0.113969  3.5032   0.113571  
1 1 1 52 19 6  o 3.27049  0.103673  10.7357      0.678123 10.5213      0.960964 10.9484      0.957069 3.23126  0.148698  3.29678  0.145152  
1 1 1 52 19 7  o 3.3287   0.103798  11.1232      0.691026 10.1751      0.988918 12.0278      0.966002 3.17596  0.155688  3.45593  0.13976   
1 1 1 52 19 8  o 3.06357  0.110181  9.42646      0.675096 9.84401      0.968387 9.03166      0.941633 3.12395  0.154994  2.99188  0.157365  
1 1 1 52 19 9  f 1.36538  0.220911  1.89681      0.603257 2.25262      0.859195 1.55086      0.847202 1.45077  0.305692  1.20286  0.338148  
1 1 1 52 19 10 o 1.53131  0.205222  2.38163      0.628518 3.02274      0.926509 1.83508      0.855453 1.71535  0.270064  1.30365  0.328105  
1 1 1 52 19 11 f 2.83707  0.134469  8.10641      0.762998 8.32791      1.07178  7.8788       1.08646  2.86611  0.186974  2.7861   0.194978  
1 1 1 52 19 12 o 5.20333  0.0960321 27.1748      0.999374 26.9202      1.38895  27.4481      1.43904  5.16964  0.134337  5.21907  0.137864  
1 1 1 52 19 13 o 2.25967  0.179828  5.17857      0.812705 4.68642      1.16008  5.6529       1.13889  2.13028  0.272284  2.34733  0.242593  
1 1 1 52 19 14 o 1.96019  0.184567  3.90765      0.723571 3.24491      1.01983  4.57946      1.02678  1.76521  0.288869  2.1092   0.243404  
1 1 1 52 19 15 o 0.988085 0.31102   1.02344      0.684708 0.262266     1.02007  1.64763      0.92373  0.857086 0.357555  1.22795  0.355672  
1 1 1 52 19 16 o 1.73877  0.207477  3.09723      0.721507 2.0673       1.05745  3.99437      0.986928 1.36084  0.376197  1.96352  0.251316  
1 1 1 52 19 17 o 2.28508  0.132949  5.27623      0.607595 4.48047      1.00678  5.7321       0.76201  2.08092  0.241906  2.37614  0.160346  
1 1 1 52 19 18 o 2.67387  0.140931  7.23901      0.753663 6.41223      1.19652  7.78277      0.970348 2.48686  0.240568  2.76279  0.17561   
1 1 1 52 19 19 o 1.68671  0.208111  2.93014      0.702049 4.41502      1.0439   1.70397      0.948618 2.05593  0.253876  1.2344   0.361369  
1 1 1 52 19 20 o 1.07917  0.299127  1.28285      0.667565 2.27136      0.975409 0.411876     0.915587 1.41836  0.34637   0.844163 0.343847  
1 1 1 52 19 21 o 2.266    0.156093  5.23096      0.707413 4.6252       0.978368 5.89463      1.02406  2.10735  0.232133  2.38594  0.214603  
1 1 1 52 19 22 o 2.40795  0.152489  5.91633      0.734374 6.29818      1.01646  5.49936      1.06217  2.46424  0.206242  2.29192  0.231721  
1 1 1 52 19 23 o 0.842156 0.318843  0.631511     0.737395 0.144761     1.02056  1.16321      1.06664  0.809077 0.348291  1.05639  0.386587  
1 1 1 52 19 24 o 0.709846 0.298778  0.195169     0.722542 -0.120226    0.947778 0.632835     1.11648  0.727218 0.323211  0.924435 0.378643  
1 1 1 52 19 25 o 2.05458  0.19381   4.42033      0.796395 4.7531       1.04511  3.95952      1.22985  2.09985  0.248854  1.8362   0.347529  
1 1 1 52 19 26 o 2.95336  0.138968  8.96559      0.820844 10.2321      1.09499  7.34079      1.24023  3.13053  0.174889  2.60513  0.238035  
1 1 1 52 19 27 o 1.15968  0.323952  1.64352      0.779975 1.31241      0.993587 2.17521      1.25907  1.03661  0.373723  1.26291  0.423026  
1 1 1 52 19 28 o 0.562686 0.264097  -0.544701    0.759993 -0.544293    0.970424 -0.545348    1.2222   0.643033 0.301198  0.720822 0.337703  
1 1 1 52 19 29 o 0.55912  0.267951  -0.791916    0.854791 -0.541995    1.14804  -1.10283     1.28049  0.68294  0.321579  0.661553 0.319616  
1 1 1 52 19 30 o 1.10896  0.375405  1.8116       0.991557 2.1419       1.38086  1.46         1.42471  1.13083  0.433916  0.994263 0.419069  
1 1 1 52 19 31 o 0.521182 0.256729  -1.21024     0.932281 -2.52532     1.41884  -0.211084    1.23673  0.566887 0.284997  0.698678 0.330639  
1 1 1 52 19 32 o 0.644403 0.304349  -0.151112    1.04321  -0.264714    1.60477  -0.0679708   1.37287  0.719913 0.350182  0.707754 0.339277  
1 1 1 52 19 33 o 0.731512 0.342116  0.651032     1.23931  0.0162773    1.79962  1.22359      1.70918  0.711723 0.35074   0.794954 0.38047   
1 1 1 52 20 0  o 1.12761  0.367888  1.6414       0.732063 1.6414       0.732063 1.6414       0.732063 1.21133  0.240736  ?        ?         
1 1 1 52 20 1  o 3.98347  0.082362  15.9043      0.656173 16.4875      0.897821 15.2357      0.961373 4.05201  0.110787  3.89319  0.123469  
1 1 1 52 20 2  o 4.67345  0.0792078 21.8878      0.740347 21.5398      1.03534  22.2519      1.05908  4.63116  0.11178   4.70696  0.112502  
1 1 1 52 20 3  o 4.30345  0.0789491 18.5596      0.679507 19.3633      1.02848  17.937       0.905219 4.38988  0.117142  4.22676  0.107082  
1 1 1 52 20 4  o 6.42775  0.0810274 41.4119      1.04165  42.6983      1.57119  40.4031      1.39137  6.51755  0.120536  6.34277  0.109681  
1 1 1 52 20 5  o 3.50127  0.107099  12.3097      0.749963 12.1042      1.10693  12.4841      1.01965  3.46309  0.159819  3.5199   0.144841  
1 1 1 52 20 6  o 1.44668  0.219827  2.12927      0.636037 2.35934      0.922895 1.92113      0.877783 1.48166  0.320509  1.33415  0.3303    
1 1 1 52 20 7  o 4.20311  0.0960316 17.7245      0.807263 17.4919      1.1409   17.9577      1.14238  4.16824  0.136857  4.22371  0.135234  
1 1 1 52 20 8  o 1.64257  0.204078  2.73887      0.670425 3.20288      0.975427 2.3234       0.922993 1.76512  0.276306  1.46937  0.322844  
1 1 1 52 20 9  o 0.8053   0.307537  0.482647     0.69094  0.908305     1.01718  0.117987     0.941479 1.02147  0.37711   0.804756 0.34      
1 1 1 52 20 10 o 0.903256 0.312926  0.776858     0.690565 1.04924      1.00644  0.534531     0.949283 1.05729  0.376631  0.903672 0.356659  
1 1 1 52 20 11 o 2.68921  0.147434  7.29511      0.792965 6.07361      1.138    8.44791      1.10554  2.43762  0.233425  2.88508  0.191597  
1 1 1 52 20 12 o 3.63727  0.1119    13.3038      0.814024 12.0883      1.15401  14.5075      1.14842  3.4553   0.166991  3.78943  0.15153   
1 1 1 52 20 13 o 2.42906  0.152307  5.96868      0.739924 5.90167      1.13004  6.01896      0.978965 2.39649  0.23577   2.42899  0.201517  
1 1 1 52 20 14 o 2.68099  0.138916  7.25893      0.744864 6.24867      1.11224  8.08049      1.003    2.46771  0.225359  2.81977  0.177851  
1 1 1 52 20 15 o 1.82217  0.188199  3.38662      0.685862 3.68252      0.978584 3.10092      0.961551 1.88333  0.259802  1.72337  0.278974  
1 1 1 52 20 16 o 1.09086  0.305574  1.29363      0.693044 1.59221      1.00367  1.02153      0.958141 1.20658  0.375914  1.02685  0.367314  
1 1 1 52 20 17 o 1.00566  0.320221  1.07138      0.72405  0.424561     1.04199  1.67529      1.00684  0.89285  0.365765  1.23015  0.375157  
1 1 1 52 20 18 o 1.92746  0.163483  3.78181      0.630216 3.67369      1.08154  3.83739      0.775473 1.86468  0.290007  1.93295  0.200593  
1 1 1 52 20 19 o 1.06978  0.302017  1.25923      0.674429 1.01063      1.01404  1.45643      0.90314  1.0234   0.376698  1.14642  0.356475  
1 1 1 52 20 20 o 1.65772  0.211294  2.84167      0.700535 3.3336       0.997145 2.36225      0.98439  1.77303  0.281197  1.44642  0.344695  
1 1 1 52 20 21 o 1.59653  0.217664  2.65098      0.695016 1.63175      1.00164  3.59735      0.965178 1.19874  0.375948  1.84419  0.261681  
1 1 1 52 20 22 o 2.33604  0.160086  5.58341      0.747934 5.9755       1.06221  5.19786      1.05332  2.39169  0.222063  2.22414  0.236794  
1 1 1 52 20 23 o 0.755334 0.306974  0.356245     0.728096 0.0093181    1.00975  0.731987     1.05085  0.775091 0.340054  0.936682 0.37349   
1 1 1 52 20 24 o 1.07279  0.325926  1.33214      0.760885 1.9189       1.01312  0.572947     1.15239  1.26021  0.374736  0.915711 0.380899  
1 1 1 52 20 25 o 0.648663 0.289354  -0.136159    0.76587  -0.111844    1.02179  -0.167333    1.15697  0.746    0.333458  0.779436 0.351362  
1 1 1 52 20 26 o 0.918978 0.331161  0.937162     0.780083 0.748107     1.00396  1.22521      1.23923  0.900473 0.362665  1.04068  0.408526  
1 1 1 52 20 27 o 1.07106  0.329903  1.4223       0.77598  0.87193      0.986669 2.31468      1.25637  0.911885 0.362438  1.28873  0.422572  
1 1 1 52 20 28 o 0.496617 0.241608  -1.06432     0.764503 -0.490429    1.01265  -1.82489     1.16579  0.658691 0.30838   0.576846 0.284104  
1 1 1 52 20 29 o 1.35775  0.345358  2.48755      0.940296 2.54531      1.34451  2.43226      1.31552  1.25026  0.436302  1.22791  0.43128   
1 1 1 52 20 30 o 1.25843  0.363959  2.28831      0.967977 2.20802      1.47908  2.34846      1.28021  1.11873  0.444036  1.18549  0.424531  
1 1 1 52 20 31 o 1.45114  0.346709  3.1232       0.993942 0.445211     1.4707   5.37473      1.34853  0.783514 0.367678  1.88305  0.371291  
1 1 1 52 20 32 o 0.777806 0.34482   0.750379     1.06964  -0.396316    1.65309  1.57627      1.40292  0.716668 0.349925  0.909938 0.400011  
1 1 1 52 21 0  o 3.5293   0.125723  12.5387      0.884874 12.5387      0.884874 12.5387      0.884874 3.53516  0.0886226 ?        ?         
1 1 1 52 21 1  o 0.670328 0.271564  0.205851     0.567583 -0.0554459   0.767262 0.521663     0.843511 0.695534 0.300731  0.86836  0.337834  
1 1 1 52 21 2  o 2.93     0.098737  8.61502      0.578598 8.69066      0.825675 8.54204      0.811044 2.93749  0.140541  2.91246  0.139237  
1 1 1 52 21 3  o 2.36609  0.103682  5.62004      0.490644 5.82799      0.69144  5.40912      0.696337 2.40514  0.143742  2.31629  0.150313  
1 1 1 52 21 4  o 5.74603  0.0765718 33.0862      0.879967 33.973       1.29623  32.3282      1.19844  5.81559  0.111444  5.67436  0.105602  
1 1 1 52 21 5  o 3.96365  0.0939432 15.7601      0.744715 16.677       1.17219  15.1395      0.964348 4.06853  0.144055  3.88014  0.124267  
1 1 1 52 21 6  o 2.6391   0.124223  7.00396      0.655674 6.87953      0.976327 7.10617      0.884922 2.60615  0.187312  2.65222  0.166827  
1 1 1 52 21 7  o 3.79727  0.101305  14.4751      0.769364 13.6551      1.13682  15.1681      1.04505  3.67865  0.154516  3.8813   0.134627  
1 1 1 52 21 8  o 6.1832   0.090774  38.3563      1.12255  36.8746      1.5808   39.8634      1.59433  6.05212  0.130599  6.29387  0.126658  
1 1 1 52 21 9  o 0.68274  0.287294  0.0873924    0.667776 0.198759     1.0187   0.00348079   0.884261 0.849324 0.355996  0.757011 0.324991  
1 1 1 52 21 10 o 1.28034  0.278809  1.75361      0.694075 1.43737      1.06183  1.98954      0.917133 1.17846  0.38848   1.35281  0.339276  
1 1 1 52 21 11 o 3.34178  0.114634  11.2354      0.766162 11.4655      1.15466  11.0543      1.02409  3.36324  0.171659  3.30653  0.154859  
1 1 1 52 21 12 o 3.34096  0.111435  11.2315      0.744602 10.3122      1.05215  12.1539      1.05391  3.1897   0.164928  3.46633  0.152021  
1 1 1 52 21 13 o 2.73661  0.134498  7.55894      0.736136 7.4957       1.06732  7.61632      1.01664  2.7108   0.196864  2.73546  0.185826  
1 1 1 52 21 14 o 2.15501  0.169663  4.71936      0.731252 4.50992      1.10554  4.88225      0.975006 2.08256  0.265429  2.17895  0.223733  
1 1 1 52 21 15 o 2.58668  0.142671  6.7708       0.738089 5.81888      1.04361  7.72347      1.04402  2.37887  0.21935   2.75017  0.18981   
1 1 1 52 21 16 o 1.1668   0.304983  1.49165      0.719619 2.26918      0.993692 0.634179     1.04352  1.42608  0.350435  0.941765 0.373231  
1 1 1 52 21 17 o 1.43131  0.264601  2.2029       0.728951 1.39057      1.01172  3.07987      1.0512   1.13864  0.379202  1.67343  0.325708  
1 1 1 52 21 18 o 2.77534  0.139582  7.81302      0.774777 8.2233       1.09751  7.40543      1.0939   2.82885  0.193986  2.68066  0.204034  
1 1 1 52 21 19 o 0.532754 0.246335  -0.454665    0.619596 -0.652551    0.973266 -0.319813    0.803437 0.667163 0.30858   0.647077 0.292188  
1 1 1 52 21 20 o 0.878832 0.311234  0.758473     0.686374 1.46951      0.980058 0.074022     0.961563 1.15013  0.373198  0.783412 0.337668  
1 1 1 52 21 21 o 0.735728 0.300533  0.291585     0.70145  0.329138     1.0107   0.256689     0.974297 0.848102 0.354994  0.821433 0.346403  
1 1 1 52 21 22 o 0.890637 0.319947  0.796045     0.727646 1.46529      1.0498   0.177222     1.00948  1.13577  0.386273  0.809488 0.34737   
1 1 1 52 21 23 o 0.912929 0.325667  0.872019     0.752729 1.89598      1.02042  -0.350285    1.11488  1.25563  0.376636  0.747171 0.339863  
1 1 1 52 21 24 o 0.807169 0.318774  0.536487     0.758772 0.280152     1.02544  0.846669     1.12801  0.821276 0.351189  0.964927 0.386159  
1 1 1 52 21 25 o 2.06828  0.193819  4.51456      0.801747 3.32542      1.05389  6.14824      1.23527  1.67986  0.325295  2.36402  0.261265  
1 1 1 52 21 26 o 1.47013  0.300985  2.55859      0.854461 2.67035      1.13981  2.41521      1.29106  1.42726  0.388824  1.32161  0.428287  
1 1 1 52 21 27 o 1.65351  0.249719  3.06185      0.825824 2.76045      1.14857  3.38442      1.18823  1.43541  0.389991  1.61318  0.375063  
1 1 1 52 21 28 o 1.53919  0.306056  2.93793      0.908703 4.46145      1.29992  1.48196      1.27078  1.83007  0.368095  1.03246  0.41102   
1 1 1 52 21 29 o 1.45187  0.336513  2.82324      0.958871 1.98373      1.42872  3.51131      1.29345  1.0934   0.435647  1.51626  0.414705  
1 1 1 52 21 30 o 0.591291 0.282316  -0.527877    0.926768 -0.286418    1.41913  -0.707431    1.22376  0.727921 0.347979  0.649785 0.313621  
1 1 1 52 21 31 o 0.838868 0.360072  1.1072       1.08515  -0.00303542  1.6719   1.91537      1.42644  0.744906 0.360803  0.956663 0.411794  
1 1 1 52 21 32 o 0.657847 0.316423  -0.135577    1.21966  1.80135      1.73259  -2.03835     1.71724  0.87026  0.406035  0.609868 0.307372  
1 1 1 52 22 0  o 1.40467  0.353277  2.3433       0.857311 2.3433       0.857311 2.3433       0.857311 1.47908  0.21934   ?        ?         
1 1 1 52 22 1  o 5.82143  0.0839168 33.9745      0.977032 33.5791      1.39092  34.3597      1.37272  5.77962  0.12033   5.84715  0.117384  
1 1 1 52 22 2  o 0.9313   0.269026  0.910391     0.52918  0.651328     0.731171 1.19535      0.76685  0.872832 0.320008  1.06873  0.327707  
1 1 1 52 22 3  o 1.72531  0.14281   2.99894      0.492783 3.07367      0.712842 2.93055      0.681981 1.73975  0.204869  1.69929  0.200666  
1 1 1 52 22 4  o 3.19892  0.102884  10.2736      0.658234 11.4723      0.899386 8.89084      0.965941 3.37584  0.133209  2.96701  0.16278   
1 1 1 52 22 5  o 0.76199  0.290989  0.428107     0.618575 0.478125     0.945621 0.390695     0.817822 0.889305 0.354392  0.823644 0.329144  
1 1 1 52 22 6  o 5.82182  0.08917   34.0001      1.03826  32.408       1.52266  35.3835      1.41943  5.67266  0.13421   5.93166  0.119648  
1 1 1 52 22 7  o 3.48056  0.106457  12.169       0.741061 13.792       1.10343  10.8355      1.0002   3.69732  0.14922   3.27648  0.152633  
1 1 1 52 22 8  o 2.25124  0.153607  5.11619      0.69161  4.89381      1.03654  5.29465      0.928524 2.18735  0.236938  2.28187  0.203456  
1 1 1 52 22 9  o 3.39858  0.111017  11.612       0.754601 11.6356      1.10797  11.5917      1.03056  3.39143  0.163349  3.38761  0.152107  
1 1 1 52 22 10 o 3.0327   0.117605  9.25931      0.713324 9.26592      1.05578  9.25375      0.967568 3.02174  0.174697  3.0233   0.160018  
1 1 1 52 22 11 o 3.37228  0.110396  11.4421      0.744573 10.4804      1.0594   12.3808      1.04669  3.21551  0.164732  3.49904  0.149568  
1 1 1 52 22 12 o 1.46258  0.227631  2.1971       0.665857 1.92338      0.981792 2.43022      0.906084 1.31984  0.361449  1.49567  0.31301   
1 1 1 52 22 13 o 3.31753  0.120526  11.0967      0.799698 9.46496      1.14075  12.6735      1.12139  3.04623  0.187239  3.53473  0.158625  
1 1 1 52 22 14 o 2.19395  0.167842  4.89297      0.736477 3.79524      1.08435  5.83298      1.00343  1.90331  0.284858  2.38435  0.210419  
1 1 1 52 22 15 o 0.455093 0.223897  -1.3875      0.704811 -2.47929     1.02168  -0.396118    0.973564 0.508477 0.253152  0.711177 0.321358  
1 1 1 52 22 16 o 1.89138  0.194773  3.66633      0.736779 4.08587      1.02746  3.22226      1.05709  1.97786  0.259741  1.71518  0.32006   
1 1 1 52 22 17 o 1.80379  0.202597  3.35018      0.730885 3.58529      1.01331  3.09522      1.05522  1.84399  0.274761  1.67273  0.327083  
1 1 1 52 22 18 o 1.06443  0.315278  1.24434      0.718084 1.8996       1.0143   0.5859       1.01675  1.29216  0.372194  0.91479  0.366401  
1 1 1 52 22 19 o 0.884846 0.315627  0.759139     0.707022 1.06128      0.95864  0.398776     1.04694  1.02607  0.367372  0.880127 0.364385  
1 1 1 52 22 20 o 0.530485 0.248747  -0.607188    0.668403 -1.09591     1.03365  -0.255969    0.876257 0.630995 0.300339  0.68592  0.307643  
1 1 1 52 22 21 o 1.24413  0.288217  1.7297       0.70367  1.89607      1.01379  1.57503      0.97748  1.27414  0.373759  1.1712   0.371978  
1 1 1 52 22 22 o 2.14826  0.185535  4.79496      0.797156 4.24151      1.06323  5.50546      1.20467  1.97987  0.268511  2.25667  0.266913  
1 1 1 52 22 23 f 1.54983  0.250554  2.58906      0.776635 3.01637      1.04422  2.06008      1.16182  1.60614  0.335947  1.28929  0.405003  
1 1 1 52 22 24 o 0.869227 0.32192   0.769148     0.742415 0.877665     0.997923 0.634639     1.11103  0.942887 0.367327  0.90902  0.375799  
1 1 1 52 22 25 o 0.672544 0.298852  -0.0591798   0.809772 -1.12534     1.04727  1.52593      1.27696  0.611181 0.29379   1.10885  0.419649  
1 1 1 52 22 26 o 1.34836  0.310154  2.20351      0.819494 2.75964      1.14193  1.61295      1.17674  1.44368  0.387357  1.10779  0.405985  
1 1 1 52 22 27 o 1.18719  0.336493  1.81276      0.835581 2.88072      1.18829  0.7682       1.1752   1.44027  0.399047  0.89885  0.379814  
1 1 1 52 22 28 o 1.03276  0.361775  1.49207      0.925157 1.41249      1.40224  1.55342      1.23113  0.998829 0.418115  1.02869  0.406116  
1 1 1 52 22 29 o 0.799719 0.335924  0.663888     0.910314 0.0505459    1.32134  1.21799      1.25591  0.769689 0.357358  0.938897 0.394487  
1 1 1 52 22 30 o 0.652177 0.305568  -0.0957633   1.00141  -0.885984    1.47462  0.580572     1.36423  0.669488 0.327713  0.792038 0.365956  
1 1 1 52 22 31 o 1.20777  0.393138  2.56958      1.08745  3.3255       1.56307  1.8605       1.51387  1.1973   0.4611    0.950211 0.416634  
1 1 1 52 22 32 o 0.568166 0.282695  -1.11689     1.26439  -1.11184     1.85598  -1.12127     1.7272   0.639747 0.321917  0.627258 0.314958  
1 1 1 52 23 0  o 2.793    0.171407  7.93248      0.949219 7.93248      0.949219 7.93248      0.949219 2.80487  0.12015   ?        ?         
1 1 1 52 23 1  o 2.59019  0.117297  6.74514      0.607643 6.3272       0.867147 7.14835      0.851735 2.50075  0.173377  2.66036  0.160079  
1 1 1 52 23 2  o 0.503954 0.229929  -0.334367    0.518804 -0.254772    0.703066 -0.429523    0.768723 0.621851 0.27732   0.621486 0.282564  
1 1 1 52 23 3  o 2.14275  0.112796  4.61448      0.483385 5.33068      0.697477 3.95255      0.670538 2.29837  0.151733  1.97687  0.169596  
1 1 1 52 23 4  o 2.37635  0.14527   5.69443      0.690427 5.34242      1.01093  6.00216      0.945202 2.2892   0.220805  2.43167  0.194352  
1 1 1 52 23 5  o 2.9804   0.115783  8.93042      0.690157 9.80642      1.03883  8.23828      0.923395 3.11411  0.166794  2.85524  0.161702  
1 1 1 52 23 6  o 3.98099  0.0980008 15.9096      0.780281 16.1838      1.16117  15.684       1.05362  4.00579  0.144936  3.94599  0.133506  
1 1 1 52 23 7  f 1.64171  0.202919  2.7427       0.666267 2.7285       0.999976 2.75402      0.89348  1.58964  0.325747  1.60863  0.288143  
1 1 1 52 23 8  o 0.731453 0.293756  0.291194     0.656037 0.403196     1.00158  0.207038     0.8682   0.884492 0.359847  0.793054 0.330292  
1 1 1 52 23 9  o 3.11567  0.117555  9.77439      0.732525 10.1292      1.10931  9.50006      0.975445 3.15855  0.175604  3.063    0.15923   
1 1 1 52 23 10 o 4.10102  0.102391  16.9078      0.839816 17.7763      1.19206  16.052       1.18335  4.19477  0.142089  3.98427  0.148503  
1 1 1 52 23 11 o 0.709427 0.291945  0.204176     0.666835 0.270471     0.970235 0.144824     0.918024 0.840915 0.349626  0.794569 0.335719  
1 1 1 52 23 12 o 1.19866  0.292383  1.56394      0.695655 -0.589439    1.03063  3.36606      0.942833 0.706643 0.323054  1.79964  0.261951  
1 1 1 52 23 13 o 4.88828  0.105121  24.0507      1.02772  22.1013      1.39731  26.348       1.51688  4.67051  0.149589  5.09991  0.148717  
1 1 1 52 23 14 o 0.904824 0.315073  0.801694     0.70083  1.20436      1.04752  0.475404     0.942952 1.09145  0.384699  0.874804 0.351827  
1 1 1 52 23 15 o 2.11769  0.174382  4.57385      0.738576 3.19365      1.01072  6.15534      1.08192  1.7132   0.306009  2.44191  0.221531  
1 1 1 52 23 16 o 1.30467  0.282897  1.86165      0.717408 1.59299      1.00045  2.14602      1.0293   1.19668  0.375809  1.37514  0.367213  
1 1 1 52 23 17 o 1.04493  0.318172  1.19349      0.724572 1.96115      1.00237  0.353395     1.04859  1.31299  0.367395  0.872204 0.363105  
1 1 1 52 23 18 o 1.7132   0.215342  3.03966      0.737851 2.43985      1.0113   3.72238      1.07894  1.46818  0.349054  1.87041  0.288423  
1 1 1 52 23 19 o 1.11025  0.322186  1.38135      0.757285 1.78514      1.04647  0.937402     1.09726  1.24507  0.383031  1.01009  0.387027  
1 1 1 52 23 20 o 2.52429  0.147153  6.49871      0.742914 7.51725      1.0964   5.6341       1.01017  2.69093  0.203722  2.32372  0.21736   
1 1 1 52 23 21 f 0.79246  0.317617  0.448994     0.764758 0.802409     1.04766  0.0458681    1.11892  0.952577 0.375088  0.816383 0.358069  
1 1 1 52 23 22 o 1.75252  0.225873  3.26231      0.791691 2.87349      1.03712  3.80528      1.22557  1.56523  0.340785  1.7993   0.353157  
1 1 1 52 23 23 o 0.905241 0.328693  0.859054     0.769779 -0.531591    1.03047  2.61489      1.1579   0.686482 0.317517  1.44985  0.390527  
1 1 1 52 23 24 o 1.52908  0.277839  2.66659      0.818323 2.20573      1.13214  3.17078      1.18418  1.3091   0.397536  1.59259  0.377125  
1 1 1 52 23 25 o 0.652521 0.296705  -0.216903    0.848077 -0.255955    1.21624  -0.179946    1.18316  0.761321 0.349255  0.762847 0.347827  
1 1 1 52 23 26 o 0.630474 0.289077  -0.290295    0.832013 0.208319     1.14054  -0.857441    1.2164   0.803527 0.356163  0.683447 0.325544  
1 1 1 52 23 27 o 0.854512 0.341318  0.81434      0.878995 0.804828     1.28503  0.822705     1.205    0.900711 0.389314  0.894639 0.381568  
1 1 1 52 23 28 o 0.69981  0.314693  0.115619     0.922398 -0.16455     1.45549  0.303666     1.19243  0.774831 0.364041  0.786833 0.355592  
1 1 1 52 23 29 o 0.522468 0.255739  -1.09504     0.89783  -0.245819    1.2851   -1.90479     1.25488  0.708237 0.33605   0.565977 0.281609  
1 1 1 52 23 30 o 0.474321 0.237556  -1.89232     0.975939 -1.53001     1.3671   -2.26884     1.39366  0.595173 0.29583   0.55826  0.280901  
1 1 1 52 23 31 o 0.751746 0.341307  0.704448     1.1129   1.12245      1.52108  0.222934     1.63257  0.814609 0.380215  0.736701 0.356777  
1 1 1 52 24 0  o 7.0601   0.118207  50.0266      1.66805  50.0266      1.66805  50.0266      1.66805  7.06648  0.0834829 ?        ?         
1 1 1 52 24 1  o 2.53528  0.115383  6.46201      0.585054 6.49649      0.822125 6.42663      0.832759 2.53534  0.162133  2.52117  0.165153  
1 1 1 52 24 2  o 4.10909  0.0841075 16.9327      0.69121  17.089       0.962355 16.7662      0.993423 4.12247  0.116721  4.08237  0.121672  
1 1 1 52 24 3  o 2.41181  0.100945  5.84086      0.486919 6.30895      0.692062 5.38199      0.685203 2.50197  0.138304  2.30951  0.148344  
1 1 1 52 24 4  o 3.15719  0.115251  10.0237      0.727741 9.82431      1.06237  10.2         0.998921 3.11517  0.170515  3.17709  0.157207  
1 1 1 52 24 5  o 1.0833   0.285759  1.25991      0.628122 1.2015       0.936301 1.3077       0.846994 1.08726  0.364795  1.11158  0.345131  
1 1 1 52 24 6  o 2.50607  0.133812  6.33397      0.670687 6.38924      0.994523 6.28787      0.908317 2.50438  0.198557  2.48797  0.182542  
1 1 1 52 24 7  o 3.36372  0.110457  11.3834      0.743095 10.8567      1.09089  11.8395      1.015    3.2725   0.166676  3.42226  0.148294  
1 1 1 52 24 8  o 2.41073  0.141415  5.87029      0.681826 5.48565      0.977124 6.23529      0.951868 2.31632  0.210922  2.47409  0.192367  
1 1 1 52 24 9  o 3.69165  0.100489  13.6997      0.741942 11.8791      1.05165  15.5038      1.04689  3.42569  0.153495  3.91937  0.133554  
1 1 1 52 24 10 o 0.461365 0.223502  -1.03643     0.642097 -1.5008      0.92685  -0.607903    0.890373 0.550418 0.26723   0.644633 0.297008  
1 1 1 52 24 11 o 3.27226  0.120512  10.7973      0.788696 9.22339      1.06331  12.7222      1.17595  3.00999  0.17663   3.53871  0.166155  
1 1 1 52 24 12 o 0.715632 0.291199  0.250384     0.656006 0.12499      0.943411 0.367775     0.91281  0.796912 0.338683  0.840574 0.34301   
1 1 1 52 24 13 o 2.86164  0.135689  8.2823       0.776584 7.20488      1.10529  9.33271      1.09135  2.64838  0.208673  3.02432  0.180429  
1 1 1 52 24 14 o 0.746943 0.305143  0.274308     0.723202 -0.221216    1.04279  0.733514     1.00385  0.765746 0.339843  0.953131 0.369012  
1 1 1 52 24 15 o 2.14315  0.173728  4.69208      0.744649 4.44789      1.02241  4.96795      1.08672  2.06438  0.24763   2.18119  0.249111  
1 1 1 52 24 16 o 1.5516   0.233387  2.50603      0.724247 2.44754      1.02631  2.56404      1.02218  1.47037  0.352947  1.50875  0.345948  
1 1 1 52 24 17 o 2.84541  0.134027  8.20783      0.762723 8.01201      1.05102  8.4257       1.10859  2.79286  0.188162  2.8618   0.193687  
1 1 1 52 24 18 o 2.77939  0.143222  7.85958      0.796139 8.02456      1.07551  7.6596       1.18413  2.7892   0.1928    2.71343  0.218198  
1 1 1 52 24 19 o 1.79486  0.210447  3.34778      0.755445 2.99795      1.04416  3.73203      1.09432  1.63042  0.331734  1.86175  0.293896  
1 1 1 52 24 20 o 0.965679 0.329519  1.00512      0.763975 0.374014     1.05401  1.70371      1.10893  0.861281 0.36161   1.20556  0.397002  
1 1 1 52 24 21 o 2.4334   0.164383  6.11086      0.800019 4.89388      1.09086  7.5272       1.17682  2.13126  0.255919  2.66795  0.220547  
1 1 1 52 24 22 o 1.41766  0.282238  2.26957      0.771847 1.52857      1.01811  3.27105      1.1836   1.13338  0.380398  1.64809  0.368421  
1 1 1 52 24 23 o 0.819646 0.327268  0.56123      0.807841 0.505115     1.09913  0.627156     1.19135  0.876    0.368598  0.919741 0.385223  
1 1 1 52 24 24 o 0.616211 0.283311  -0.358997    0.805223 0.0560297    1.11225  -0.816084    1.16725  0.784676 0.349401  0.683006 0.322383  
1 1 1 52 24 25 o 0.961268 0.345247  1.10807      0.847235 0.0236762    1.18496  2.24222      1.21184  0.788633 0.355543  1.27233  0.415014  
1 1 1 52 24 26 o 1.92829  0.244154  4.20225      0.941599 3.73241      1.34885  4.64884      1.31504  1.62367  0.414016  1.89336  0.36026   
1 1 1 52 24 27 o 0.551297 0.267376  -1.03157     0.92359  -1.80329     1.38939  -0.42055     1.23629  0.626255 0.308516  0.708183 0.333536  
1 1 1 52 24 28 o 0.712481 0.31604   0.243856     0.900263 0.429313     1.26478  0.0534023    1.28171  0.808852 0.365846  0.762124 0.35312   
1 1 1 52 24 29 o 0.685895 0.312934  0.198997     0.960915 -0.269534    1.39106  0.626617     1.32894  0.705242 0.338905  0.794023 0.3646    
1 1 1 52 24 30 o 0.647069 0.304013  -0.109467    1.01504  1.5732       1.50059  -1.52883     1.37819  0.910162 0.405542  0.600739 0.29838   
1 1 1 52 24 31 o 0.920555 0.386067  2.00549      1.19918  2.96588      1.6861   1.02245      1.70587  0.947067 0.425698  0.753585 0.36491   
1 1 1 52 25 0  o 5.24319  0.11346   27.6111      1.18852  27.6111      1.18852  27.6111      1.18852  5.24892  0.0800977 ?        ?         
1 1 1 52 25 1  o 3.84041  0.0838268 14.7969      0.643859 14.7065      0.916543 14.885       0.90468  3.82218  0.119898  3.84578  0.11762   
1 1 1 52 25 2  o 2.01311  0.130037  4.08505      0.523557 3.81779      0.716977 4.39037      0.766325 1.93833  0.184947  2.07872  0.184326  
1 1 1 52 25 3  o 0.819902 0.255643  0.692815     0.464051 0.765025     0.590252 0.575944     0.750915 0.873969 0.289641  0.849624 0.321728  
1 1 1 52 25 4  o 1.77064  0.187107  3.1898       0.662598 2.84379      0.972083 3.49008      0.905559 1.62443  0.310311  1.84084  0.245963  
1 1 1 52 25 5  o 4.21348  0.0918559 17.8286      0.774066 17.3986      1.11514  18.2284      1.07534  4.1525   0.134273  4.25253  0.126435  
1 1 1 52 25 6  o 1.99283  0.162459  4.02442      0.647505 4.42574      0.949382 3.67538      0.885386 2.07648  0.228604  1.8911   0.234093  
1 1 1 52 25 7  o 0.949444 0.296926  0.942883     0.625404 1.13533      0.908552 0.769584     0.86218  1.05762  0.359349  0.936749 0.346918  
1 1 1 52 25 8  o 4.25847  0.0944835 18.2224      0.80471  18.5605      1.15838  17.907       1.11872  4.28694  0.135105  4.2115   0.132818  
1 1 1 52 25 9  o 2.0932   0.162099  4.44705      0.678612 5.07516      0.979339 3.8669       0.941202 2.22216  0.220358  1.93396  0.243336  
1 1 1 52 25 10 o 1.81758  0.187938  3.37164      0.683184 3.49412      0.98454  3.25788      0.948788 1.83099  0.268855  1.76815  0.268299  
1 1 1 52 25 11 o 0.466778 0.226789  -1.11276     0.66969  -2.10084     0.964371 -0.192483    0.930697 0.512689 0.253635  0.729791 0.322828  
1 1 1 52 25 12 o 1.2486   0.283913  1.69698      0.693149 1.64137      1.00729  1.747        0.955297 1.21884  0.375962  1.25284  0.361316  
1 1 1 52 25 13 o 1.31987  0.293328  1.90617      0.753988 0.67783      1.08006  3.07383      1.05305  0.958758 0.37979   1.67127  0.326698  
1 1 1 52 25 14 o 1.84671  0.192301  3.501        0.710249 3.72381      0.964039 3.23648      1.0504   1.88605  0.255571  1.71552  0.31808   
1 1 1 52 25 15 o 3.06293  0.130712  9.502        0.800722 10.1472      1.11657  8.8189       1.14891  3.14851  0.177317  2.92764  0.196217  
1 1 1 52 25 16 o 0.725097 0.299655  0.230062     0.706006 0.544517     0.992704 -0.0917736   1.00428  0.897692 0.361007  0.76955  0.338368  
1 1 1 52 25 17 o 2.20817  0.171428  4.9958       0.757085 4.29888      1.02197  5.84348      1.12709  2.02017  0.252942  2.3619   0.238599  
1 1 1 52 25 18 o 3.92953  0.116734  15.6269      0.917419 14.667       1.23483  16.8097      1.37062  3.78547  0.163102  4.04898  0.169255  
1 1 1 52 25 19 o 1.69953  0.228815  3.04225      0.777757 3.18099      1.05101  2.8743       1.15635  1.67512  0.325321  1.56128  0.37456   
1 1 1 52 25 20 o 3.72637  0.130814  14.1601      0.97492  13.0517      1.338    15.4146      1.42346  3.54035  0.188964  3.85081  0.184826  
1 1 1 52 25 21 o 1.49354  0.273965  2.4955       0.787813 2.23534      1.08673  2.78366      1.14372  1.35003  0.384097  1.51174  0.37872   
1 1 1 52 25 22 o 2.42914  0.169441  6.13322      0.823189 4.10546      1.12916  8.43349      1.20264  1.91486  0.294842  2.81704  0.213458  
1 1 1 52 25 23 o 1.65585  0.255611  3.02551      0.846505 4.23813      1.16662  1.67712      1.23019  1.92262  0.303392  1.14756  0.415635  
1 1 1 52 25 24 o 0.674419 0.300617  -0.0396907   0.825266 0.628261     1.17385  -0.692502    1.16047  0.889891 0.377982  0.688917 0.324078  
1 1 1 52 25 25 o 0.675592 0.305589  -0.114779    0.882575 0.155274     1.33981  -0.321789    1.17305  0.835581 0.377312  0.732031 0.338656  
1 1 1 52 25 26 o 0.654694 0.30331   -0.277034    0.945289 -0.476614    1.3689   -0.0951149   1.30693  0.739732 0.349148  0.769776 0.356631  
1 1 1 52 25 27 o 0.800335 0.336226  0.644909     0.912148 0.190346     1.25912  1.14693      1.32321  0.782012 0.357327  0.935817 0.399511  
1 1 1 52 25 28 o 0.861089 0.3454    1.04864      0.905427 1.68799      1.25545  0.355655     1.30705  0.987427 0.402492  0.775187 0.358184  
1 1 1 52 25 29 o 1.03999  0.372569  1.89714      0.986079 2.35976      1.4098   1.45405      1.37974  1.03748  0.425306  0.888127 0.392942  
1 1 1 52 25 30 o 0.93185  0.384935  1.745        1.16426  2.25811      1.65064  1.23697      1.64243  0.939797 0.421855  0.824571 0.387235  
1 1 1 52 26 0  f 0.490183 0.325707  -0.117141    0.812578 -0.117141    0.812578 -0.117141    0.812578 0.406745 0.271215  ?        ?         
1 1 1 52 26 1  o 3.13174  0.0958527 9.85331      0.600372 10.4451      0.842763 9.24352      0.855489 3.21801  0.130945  3.02512  0.141398  
1 1 1 52 26 2  o 3.39602  0.0858917 11.576       0.58338  11.8444      0.81778  11.2979      0.832462 3.42926  0.119236  3.34818  0.124316  
1 1 1 52 26 3  o 0.635708 0.273591  -0.0150045   0.629433 0.750927     0.963599 -0.58504     0.83129  0.957418 0.363894  0.622431 0.286857  
1 1 1 52 26 4  o 3.68468  0.102694  13.6506      0.756786 13.7915      1.12917  13.5357      1.0197   3.69147  0.152943  3.66081  0.139272  
1 1 1 52 26 5  o 2.25162  0.146322  5.12729      0.65892  3.30942      0.985155 6.59884      0.886363 1.78339  0.276203  2.54842  0.173904  
1 1 1 52 26 6  o 0.746243 0.290617  0.389005     0.624529 1.25848      0.918255 -0.35936     0.851906 1.09589  0.361263  0.667987 0.301292  
1 1 1 52 26 7  o 3.74784  0.099947  14.1262      0.749171 14.4225      1.05628  13.8263      1.06273  3.77663  0.139844  3.69659  0.143744  
1 1 1 52 26 8  o 1.92788  0.175306  3.78297      0.675935 3.35728      0.959541 4.20228      0.952332 1.79539  0.267224  2.01753  0.236015  
1 1 1 52 26 9  o 4.19036  0.0972503 17.6576      0.815027 17.3905      1.17092  17.9087      1.13516  4.1457   0.14122   4.20919  0.134843  
1 1 1 52 26 10 f 1.02294  0.299659  1.12836      0.65209  0.924253     0.949513 1.31055      0.897107 0.995398 0.364698  1.10623  0.356866  
1 1 1 52 26 11 o 2.03184  0.175843  4.20988      0.714568 3.39296      1.01846  5.0019       1.00282  1.79611  0.28352   2.20001  0.227913  
1 1 1 52 26 12 o 4.83424  0.100488  23.5289      0.971566 23.4991      1.3143   23.5649      1.44265  4.81745  0.136411  4.81809  0.149712  
1 1 1 52 26 13 o 2.83174  0.134571  8.12475      0.762141 8.57827      1.02608  7.56662      1.13829  2.89599  0.177156  2.70756  0.210206  
1 1 1 52 26 14 o 0.961883 0.311308  0.982294     0.682275 1.63629      0.946652 0.27537      0.98421  1.20709  0.362906  0.8352   0.349989  
1 1 1 52 26 15 o 5.43289  0.101265  29.7481      1.10032  29.8845      1.48728  29.5832      1.63544  5.42774  0.137007  5.3917   0.151663  
1 1 1 52 26 16 o 0.737858 0.300805  0.29377      0.701316 -0.0927028   0.961368 0.73339      1.02534  0.750801 0.330587  0.94741  0.371672  
1 1 1 52 26 17 o 2.88984  0.138819  8.49303      0.80233  8.82706      1.09321  8.10304      1.18122  2.92633  0.18679   2.79199  0.211538  
1 1 1 52 26 18 o 3.17541  0.136789  10.2706      0.868726 11.5028      1.18491  8.83852      1.27743  3.34008  0.177378  2.90441  0.219912  
1 1 1 52 26 19 o 0.893609 0.328569  0.795222     0.771293 -0.615246    1.05542  2.41191      1.12994  0.690713 0.320187  1.40981  0.388502  
1 1 1 52 26 20 o 2.96918  0.148248  9.0548       0.880353 8.86724      1.26435  9.2313       1.22652  2.89411  0.218436  2.96123  0.207097  
1 1 1 52 26 21 o 1.89021  0.217569  3.79764      0.822501 2.94313      1.18683  4.5873       1.14091  1.54224  0.385448  2.03788  0.279925  
1 1 1 52 26 22 o 0.964292 0.337877  1.06451      0.807008 1.10269      1.18293  1.03126      1.10374  1.01221  0.398569  0.986042 0.385866  
1 1 1 52 26 23 o 0.484064 0.239359  -1.65353     0.856282 -0.771951    1.16585  -2.68614     1.26176  0.683714 0.322562  0.556734 0.277755  
1 1 1 52 26 24 o 1.58397  0.30808   3.02033      0.941154 2.5049       1.32012  3.55311      1.34214  1.32151  0.43316   1.60969  0.414489  
1 1 1 52 26 25 o 0.557725 0.268579  -0.911733    0.885087 -1.52361     1.26403  -0.323159    1.23973  0.623524 0.304793  0.734859 0.343094  
1 1 1 52 26 26 o 0.620749 0.29072   -0.369968    0.902926 -1.13615     1.26244  0.432431     1.29193  0.642283 0.311846  0.823629 0.371287  
1 1 1 52 26 27 o 0.781167 0.331438  0.599211     0.900893 0.669321     1.23908  0.520588     1.31216  0.838911 0.371617  0.825252 0.372983  
1 1 1 52 26 28 o 0.648352 0.302062  -0.0343885   0.954482 -0.51257     1.3434   0.453073     1.35637  0.672733 0.325423  0.771736 0.359753  
1 1 1 52 26 29 o 1.6851   0.329543  4.08079      1.07101  3.86546      1.43469  4.35183      1.60964  1.37849  0.451566  1.39659  0.478306  
1 1 1 52 26 30 o 0.621048 0.301885  -0.239635    1.18907  1.54033      1.65421  -2.14258     1.7104   0.797818 0.379838  0.581435 0.294303  
1 1 1 52 27 0  o 0.790836 0.402745  0.964959     0.791837 0.964959     0.791837 0.964959     0.791837 0.817094 0.342929  ?        ?         
1 1 1 52 27 1  o 2.54284  0.117111  6.51428      0.595588 5.74952      0.85801  7.22545      0.827401 2.37676  0.1805    2.67057  0.154911  
1 1 1 52 27 2  o 2.18955  0.115749  4.82946      0.506877 4.55393      0.697625 5.13757      0.73772  2.1182   0.164674  2.25     0.163938  
1 1 1 52 27 3  f 0.620077 0.286229  -0.593764    0.831977 0            0        -0.593764    0.831977 ?        ?         0.62001  0.28621   
1 1 1 52 27 4  o 2.41723  0.14586   5.91373      0.705153 6.94337      1.06468  5.10911      0.941176 2.60411  0.204423  2.23216  0.210822  
1 1 1 52 27 5  o 2.71936  0.12424   7.4606       0.675707 7.59311      0.993974 7.34675      0.921341 2.72956  0.182076  2.68779  0.171394  
1 1 1 52 27 6  o 4.80097  0.0903947 23.1592      0.867964 23.2707      1.25481  23.0569      1.20187  4.80006  0.130708  4.77973  0.125726  
1 1 1 52 27 7  o 3.18763  0.114371  10.2398      0.729144 10.5081      1.04951  9.98952      1.01375  3.21628  0.163156  3.13637  0.161612  
1 1 1 52 27 8  o 3.16352  0.113655  10.0865      0.7191   10.4724      1.03677  9.72883      0.998242 3.21057  0.161463  3.09454  0.161291  
1 1 1 52 27 9  o 2.03802  0.166542  4.22582      0.678833 3.98752      0.967557 4.45683      0.952646 1.95935  0.246907  2.07676  0.229359  
1 1 1 52 27 10 o 3.77938  0.105141  14.3872      0.794738 14.5588      1.14167  14.2257      1.10699  3.78739  0.15072   3.74487  0.147801  
1 1 1 52 27 11 o 2.0828   0.172724  4.42789      0.719502 4.78539      1.00432  4.05095      1.03127  2.14721  0.233868  1.96635  0.262229  
1 1 1 52 27 12 o 1.64642  0.216912  2.80563      0.714259 3.38498      1.00758  2.22042      1.01267  1.78797  0.281766  1.39842  0.360009  
1 1 1 52 27 13 o 1.39662  0.265164  2.11168      0.713873 0.81189      0.975568 3.60989      1.04739  0.960986 0.365885  1.84463  0.283903  
1 1 1 52 27 14 o 1.09473  0.308617  1.32546      0.704719 1.93747      0.974579 0.654763     1.02023  1.30534  0.361287  0.931268 0.369051  
1 1 1 52 27 15 o 1.77402  0.203568  3.25619      0.722268 4.59533      0.96928  1.58425      1.08304  2.09747  0.231059  1.18789  0.392342  
1 1 1 52 27 16 o 0.941956 0.321104  0.928258     0.72545  1.1233       0.997928 0.709664     1.05645  1.04248  0.374667  0.945925 0.375329  
1 1 1 52 27 17 o 2.83577  0.142176  8.20104      0.806355 7.06621      1.12856  9.3846       1.15253  2.59909  0.217107  3.01004  0.191448  
1 1 1 52 27 18 o 1.56962  0.256888  2.64535      0.806432 3.17068      1.20731  2.22215      1.08363  1.62934  0.377567  1.35783  0.382664  
1 1 1 52 27 19 o 2.35587  0.179677  5.76919      0.84659  6.4222       1.23064  5.18251      1.16646  2.44155  0.252019  2.18365  0.267089  
1 1 1 52 27 20 o 1.8949   0.213538  3.80378      0.809269 3.11427      1.17809  4.41986      1.11359  1.59916  0.374539  2.00367  0.277887  
1 1 1 52 27 21 o 2.89336  0.151064  8.6537       0.874166 8.90806      1.26592  8.42186      1.20859  2.88426  0.219453  2.80801  0.215204  
1 1 1 52 27 22 f 1.12679  0.339638  1.56767      0.828437 2.19261      1.23237  1.05243      1.11899  1.27336  0.418516  0.980062 0.387096  
1 1 1 52 27 23 o 0.741504 0.320739  0.232461     0.873429 0.408466     1.24322  0.0609161    1.22736  0.862481 0.377867  0.804462 0.36231   
1 1 1 52 27 24 o 0.727251 0.318401  0.196641     0.881453 -0.231763    1.22547  0.655867     1.26879  0.750545 0.346808  0.890543 0.385908  
1 1 1 52 27 25 o 0.636284 0.29304   -0.21198     0.865569 -0.7691      1.22895  0.336422     1.2193   0.672674 0.322109  0.805529 0.362046  
1 1 1 52 27 26 o 0.748322 0.326557  0.396099     0.920944 0.139654     1.29261  0.660469     1.31243  0.778378 0.358325  0.85296  0.379682  
1 1 1 52 27 27 o 0.796529 0.337768  0.795813     0.934787 1.20094      1.33111  0.401605     1.31305  0.88657  0.38969   0.773962 0.358147  
1 1 1 52 27 28 o 0.70939  0.3208    0.404634     0.972056 0.0346595    1.36242  0.788247     1.38731  0.716404 0.342111  0.800709 0.36961   
1 1 1 52 27 29 o 0.931452 0.378383  1.7482       1.10574  2.29761      1.60349  1.25007      1.52684  0.935953 0.418063  0.815671 0.380798  
1 1 1 52 28 0  o 0.40017  0.281942  -0.761199    0.827241 -0.761199    0.827241 -0.761199    0.827241 0.309789 0.222413  ?        ?         
1 1 1 52 28 1  o 3.10376  0.102545  9.69225      0.636548 10.0036      0.91607  9.40158      0.885156 3.14345  0.145711  3.04752  0.145226  
1 1 1 52 28 2  o 0.979954 0.241996  1.03142      0.472089 1.17516      0.645775 0.866434     0.691878 1.04256  0.295918  0.927724 0.313586  
1 1 1 52 28 3  o 0.711171 0.289418  0.245531     0.64808  -0.297507    0.982109 0.664387     0.862536 0.732308 0.327139  0.902467 0.34391   
1 1 1 52 28 4  o 3.14331  0.118057  9.96214      0.742181 9.89156      1.0597   10.0301      1.03979  3.11845  0.169909  3.14157  0.165489  
1 1 1 52 28 5  o 1.20858  0.276913  1.58414      0.655326 1.52781      0.931003 1.63945      0.922595 1.18107  0.360864  1.21887  0.356235  
1 1 1 52 28 6  o 1.3144   0.26213   1.85663      0.664676 1.62024      0.936502 2.09658      0.943525 1.21171  0.360282  1.37262  0.34405   
1 1 1 52 28 7  o 3.30096  0.11065   10.9802      0.730501 10.9843      1.04516  10.9763      1.02142  3.28798  0.158937  3.28795  0.155328  
1 1 1 52 28 8  o 0.62055  0.273583  -0.133236    0.660836 -0.0805336   0.94078  -0.184567    0.928469 0.752565 0.329216  0.728343 0.322282  
1 1 1 52 28 9  o 4.42248  0.096493  19.6819      0.853476 18.9824      1.21008  20.3744      1.20394  4.32825  0.139789  4.48646  0.134175  
1 1 1 52 28 10 o 2.44628  0.149033  6.08015      0.729153 6.40696      1.03999  5.7642       1.02258  2.49248  0.208626  2.36139  0.216522  
1 1 1 52 28 11 o 2.93816  0.131938  8.74525      0.775306 8.94867      1.07163  8.52184      1.12308  2.95537  0.181302  2.8786   0.195073  
1 1 1 52 28 12 o 2.48311  0.141399  6.25936      0.70222  6.54456      0.945106 5.90787      1.04921  2.52486  0.18716   2.38721  0.219756  
1 1 1 52 28 13 o 1.47067  0.237274  2.25663      0.6979   1.42108      0.941685 3.2748       1.03951  1.13492  0.365575  1.72406  0.313011  
1 1 1 52 28 14 o 1.7486   0.194491  3.15587      0.680174 3.07513      0.921053 3.25272      1.00874  1.7016   0.270643  1.74276  0.289409  
1 1 1 52 28 15 o 3.38595  0.121351  11.6135      0.821776 12.1802      1.09285  10.8762      1.2466   3.45203  0.158291  3.24546  0.192053  
1 1 1 52 28 16 o 2.40797  0.163195  5.94975      0.785935 6.41974      1.10717  5.47237      1.11584  2.47398  0.223764  2.27343  0.245408  
1 1 1 52 28 17 o 2.21742  0.18894   5.11165      0.837922 5.61482      1.27156  4.72544      1.11401  2.27264  0.279754  2.09287  0.266144  
1 1 1 52 28 18 o 1.20295  0.323849  1.68919      0.796519 1.9782       1.18737  1.45272      1.07404  1.26737  0.41073   1.11747  0.389956  
1 1 1 52 28 19 o 2.37078  0.173865  5.83861      0.824392 5.96355      1.23633  5.73858      1.10622  2.3391   0.264275  2.31183  0.239252  
1 1 1 52 28 20 o 0.873482 0.325239  0.781452     0.759831 1.61521      1.1321   0.0979875    1.025    1.14522  0.400289  0.779667 0.342334  
1 1 1 52 28 21 o 1.8025   0.234104  3.53867      0.843944 3.81027      1.24374  3.3069       1.14892  1.74863  0.367303  1.63045  0.36187   
1 1 1 52 28 22 f 0.759302 0.322573  0.334385     0.855199 -0.176987    1.19663  0.868243     1.22266  0.764667 0.348965  0.943373 0.392368  
1 1 1 52 28 23 o 0.839871 0.33644   0.695124     0.857432 0.720398     1.23304  0.67146      1.19313  0.905668 0.386118  0.890557 0.379751  
1 1 1 52 28 24 o 1.49754  0.313388  2.83124      0.908304 3.09153      1.2274   2.51613      1.35047  1.45464  0.406393  1.25819  0.43744   
1 1 1 52 28 25 o 0.719305 0.318722  0.237528     0.912291 0.86719      1.33092  -0.32053     1.25296  0.891639 0.390802  0.718346 0.337579  
1 1 1 52 28 26 o 1.21815  0.36201   2.21372      0.945672 3.63482      1.34419  0.821061     1.33067  1.47322  0.429807  0.855103 0.381426  
1 1 1 52 28 27 o 0.742315 0.328681  0.570321     0.967853 0.120197     1.38221  1.00333      1.35568  0.733215 0.348192  0.834654 0.378074  
1 1 1 52 28 28 o 2.581    0.230128  8.10958      1.18792  5.96155      1.62027  10.6062      1.74681  1.77412  0.454585  2.73432  0.319423  
1 1 1 52 29 0  o 3.98963  0.125161  16.04        0.99647  16.04        0.99647  16.04        0.99647  3.9973   0.0882328 ?        ?         
1 1 1 52 29 1  o 3.26467  0.0998088 10.7231      0.651686 10.1324      0.920396 11.317       0.922855 3.16255  0.145515  3.34448  0.137967  
1 1 1 52 29 2  o 1.32115  0.166755  1.77532      0.440617 2.22995      0.601022 1.24706      0.647864 1.47441  0.203818  1.07053  0.293811  
1 1 1 52 29 3  o 3.67188  0.104261  13.5737      0.76567  13.7698      1.14033  13.4126      1.03322  3.68319  0.154802  3.63939  0.14195   
1 1 1 52 29 4  o 2.85367  0.129562  8.22948      0.739454 9.07287      1.07455  7.47083      1.01914  2.98148  0.180204  2.7029   0.188527  
1 1 1 52 29 5  o 2.01381  0.168338  4.12926      0.678    4.45285      0.988753 3.84207      0.931482 2.07235  0.238559  1.92397  0.242073  
1 1 1 52 29 6  o 1.17341  0.282939  1.50395      0.657249 0.842698     0.93224  2.15747      0.926764 0.965948 0.360137  1.3917   0.336234  
1 1 1 52 29 7  o 2.42372  0.143336  5.95675      0.694815 6.30041      1.00337  5.64012      0.9631   2.47562  0.20265   2.34135  0.205672  
1 1 1 52 29 8  o 1.69288  0.20016   2.94798      0.677693 3.07645      0.984451 2.83226      0.934318 1.6776   0.304643  1.60976  0.301357  
1 1 1 52 29 9  o 3.84916  0.104842  14.9374      0.807103 14.6406      1.13862  15.2372      1.14423  3.7947   0.150028  3.8722   0.147749  
1 1 1 52 29 10 o 0.883417 0.309645  0.771258     0.677831 0.285125     0.951448 1.27228      0.965913 0.826636 0.345116  1.09143  0.370519  
1 1 1 52 29 11 o 2.24316  0.151282  5.11967      0.678699 5.53107      0.922453 4.63413      1.00214  2.31699  0.199063  2.10765  0.23774   
1 1 1 52 29 12 o 4.08188  0.0998926 16.7929      0.815499 15.8483      1.12094  17.8551      1.18862  3.94972  0.141901  4.1924   0.141758  
1 1 1 52 29 13 o 1.53422  0.214762  2.44861      0.658983 2.79996      0.885501 2.01248      0.986554 1.59676  0.287787  1.32143  0.36252   
1 1 1 52 29 14 o 1.37292  0.26016   2.05224      0.688432 2.21411      0.915812 1.84192      1.04389  1.39611  0.332322  1.26177  0.381441  
1 1 1 52 29 15 o 1.19194  0.325551  1.62409      0.797769 0.900549     1.15693  2.28001      1.10154  1.00387  0.394519  1.38682  0.384195  
1 1 1 52 29 16 o 1.45603  0.277587  2.35951      0.77932  2.52391      1.14747  2.21876      1.06176  1.44424  0.388653  1.36003  0.377331  
1 1 1 52 29 17 o 0.833371 0.324277  0.603931     0.777241 1.68002      1.16655  -0.255097    1.04228  1.18419  0.407057  0.735573 0.332437  
1 1 1 52 29 18 o 1.32698  0.296879  2.01939      0.76804  2.90301      1.16009  1.32984      1.0248   1.54188  0.378486  1.0748   0.380334  
1 1 1 52 29 19 o 1.63188  0.250794  2.89893      0.818529 4.07588      1.24829  2.01116      1.08414  1.84756  0.350516  1.26552  0.389975  
1 1 1 52 29 20 o 3.28089  0.138785  11.094       0.910674 11.5438      1.32936  10.6963      1.25007  3.29193  0.201912  3.1735   0.196954  
1 1 1 52 29 21 o 1.83046  0.237638  3.69594      0.869974 3.41177      1.25348  3.96004      1.20841  1.6093   0.392433  1.78402  0.351187  
1 1 1 52 29 22 o 1.86976  0.234894  3.86986      0.878388 4.43661      1.26904  3.3486       1.21704  1.88161  0.350293  1.59005  0.386033  
1 1 1 52 29 23 o 1.13935  0.343926  1.72363      0.849072 1.55263      1.17894  1.90792      1.22386  1.05241  0.401773  1.13733  0.414304  
1 1 1 52 29 24 o 0.664296 0.300338  0.010731     0.851521 1.26438      1.18728  -1.31714     1.22193  0.958805 0.391216  0.615911 0.30075   
1 1 1 52 29 25 o 0.490871 0.24413   -1.73584     0.937884 -0.639947    1.346    -2.77006     1.30757  0.699579 0.335499  0.538984 0.271207  
1 1 1 52 29 26 o 1.23634  0.356709  2.36751      0.930897 1.8471       1.30984  2.8986       1.32323  0.99004  0.408589  1.22062  0.432155  
1 1 1 52 29 27 o 1.00893  0.37835   1.80334      1.03187  1.8955       1.41489  1.69862      1.50814  0.963119 0.412204  0.924596 0.409726  
1 1 1 52 29 28 o 1.41112  0.390488  3.67506      1.13862  6.30086      1.91486  2.2388       1.41619  1.42722  0.518394  0.928556 0.405082  
1 1 1 52 30 0  o 0.372897 0.266179  -0.933937    0.804929 -0.933937    0.804929 -0.933937    0.804929 0.285067 0.206422  ?        ?         
1 1 1 52 30 1  o 3.04864  0.106949  9.36416      0.652099 9.71011      0.925679 9.02336      0.918775 3.09332  0.149626  2.9806   0.154126  
1 1 1 52 30 2  o 2.79508  0.103005  7.86739      0.575816 8.22913      0.72882  7.26655      0.93931  2.85323  0.127719  2.66833  0.176011  
1 1 1 52 30 3  o 2.86832  0.125123  8.31358      0.717788 8.03326      1.08327  8.53298      0.958376 2.79936  0.193486  2.89463  0.165544  
1 1 1 52 30 4  o 2.49393  0.144859  6.30905      0.722539 6.47072      1.06153  6.16949      0.986267 2.50557  0.211834  2.4501   0.201271  
1 1 1 52 30 5  o 2.89782  0.124833  8.48955      0.723487 9.08743      1.07043  7.98673      0.981654 2.98093  0.179547  2.79594  0.17555   
1 1 1 52 30 6  o 2.69727  0.134599  7.3715       0.726102 6.99925      1.03855  7.72744      1.01556  2.60826  0.199089  2.74587  0.184925  
1 1 1 52 30 7  o 3.24301  0.116756  10.6241      0.757279 10.7151      1.07675  10.5351      1.06525  3.24026  0.166151  3.21309  0.165768  
1 1 1 52 30 8  o 2.26576  0.155602  5.2273       0.705114 5.51838      0.980441 4.91546      1.01481  2.31028  0.212191  2.17292  0.233513  
1 1 1 52 30 9  o 1.71083  0.198887  3.01505      0.680527 2.50663      0.975954 3.4962       0.949415 1.49509  0.334776  1.82332  0.260353  
1 1 1 52 30 10 o 3.89815  0.0964688 15.3044      0.7521   15.3836      1.02591  15.2124      1.10584  3.89626  0.131653  3.86998  0.142874  
1 1 1 52 30 11 o 2.3863   0.170874  5.83156      0.815515 6.06041      1.24321  5.65871      1.08046  2.39629  0.259403  2.32774  0.232085  
1 1 1 52 30 12 o 3.30328  0.131492  11.077       0.86871  10.9445      1.25872  11.1976      1.20043  3.25544  0.193327  3.29883  0.181948  
1 1 1 52 30 13 o 1.20261  0.320666  1.63578      0.785624 1.85027      1.15843  1.45313      1.06903  1.26163  0.405377  1.14302  0.389795  
1 1 1 52 30 14 o 1.65866  0.242664  2.91581      0.804996 2.76959      1.12571  3.06883      1.1516   1.5344   0.370483  1.62126  0.364094  
1 1 1 52 30 15 o 2.44111  0.161777  6.13431      0.789832 6.69227      1.19293  5.6988       1.05392  2.50804  0.237821  2.32056  0.227084  
1 1 1 52 30 16 o 1.36676  0.287756  2.11656      0.761855 1.4334       1.13052  2.68493      1.03117  1.11564  0.398998  1.50726  0.34872   
1 1 1 52 30 17 o 1.21589  0.318894  1.72847      0.785075 0.53937      1.22352  2.56069      1.02357  0.921058 0.38829   1.46286  0.353318  
1 1 1 52 30 18 o 1.00456  0.331894  1.16717      0.775024 2.03303      1.16596  0.481754     1.03738  1.26588  0.406688  0.859099 0.359625  
1 1 1 52 30 19 o 2.0804   0.213768  4.63831      0.889447 4.5556       1.28116  4.71526      1.2358   1.97728  0.323971  2.02836  0.30463   
1 1 1 52 30 20 o 2.50893  0.182276  6.67202      0.914637 7.29121      1.33451  6.1235       1.25604  2.54674  0.262003  2.32596  0.270005  
1 1 1 52 30 21 o 1.54444  0.280706  2.79488      0.835058 3.80184      1.15951  1.70985      1.20363  1.74748  0.344022  1.12658  0.410819  
1 1 1 52 30 22 o 0.559987 0.265179  -0.626842    0.796673 -0.730801    1.1179   -0.519558    1.13564  0.657543 0.312673  0.686682 0.322392  
1 1 1 52 30 23 f 0.736489 0.319294  0.349873     0.869305 0.60136      1.18886  0.0609131    1.27436  0.841168 0.369014  0.775965 0.356613  
1 1 1 52 30 24 o 0.81731  0.333454  0.755595     0.862491 1.45447      1.23945  0.0994509    1.20096  0.989024 0.401043  0.756483 0.347043  
1 1 1 52 30 25 f 0.716841 0.320081  0.372623     0.939213 -1.45467     1.33619  2.15711      1.32044  0.60892  0.300591  1.06638  0.420717  
1 1 1 52 30 26 o 0.595178 0.287459  -0.569522    1.03268  1.04367      1.37216  -2.67675     1.56826  0.830425 0.377548  0.573518 0.289267  
1 1 1 52 30 27 o 0.788632 0.34186   0.904748     0.996302 0.236697     1.47582  1.46414      1.35047  0.734706 0.352094  0.874263 0.387532  
1 1 1 52 31 0  o 0.834103 0.413215  1.09016      0.82297  1.09016      0.82297  1.09016      0.82297  0.876408 0.346463  ?        ?         
1 1 1 52 31 1  o 2.46957  0.120717  6.1636       0.596237 4.5334       0.819116 8.00076      0.869557 2.10034  0.194996  2.80416  0.155048  
1 1 1 52 31 2  o 3.12339  0.11455   9.84991      0.715567 8.52139      1.05319  10.989       0.975233 2.88407  0.182587  3.28854  0.148277  
1 1 1 52 31 3  o 1.01131  0.302778  1.11276      0.659874 1.03408      1.00914  1.17153      0.872176 1.02921  0.376083  1.05014  0.352082  
1 1 1 52 31 4  o 1.35733  0.267029  1.99775      0.699065 1.97048      1.03025  2.02101      0.951673 1.31526  0.373912  1.33675  0.351339  
1 1 1 52 31 5  o 0.498224 0.238286  -0.839519    0.667434 -0.669691    0.972596 -0.990682    0.917592 0.664749 0.30785   0.598481 0.283967  
1 1 1 52 31 6  o 0.648132 0.282438  -0.0519148   0.6869   0.00121402   0.975404 -0.104185    0.967491 0.776435 0.337438  0.754095 0.33184   
1 1 1 52 31 7  o 3.19875  0.119098  10.3426      0.761933 10.7161      1.07816  9.97002      1.07691  3.2395   0.166409  3.1223   0.172455  
1 1 1 52 31 8  o 0.708652 0.291138  0.234534     0.662056 0.351459     0.938705 0.118805     0.933891 0.836729 0.345642  0.784205 0.335235  
1 1 1 52 31 9  o 1.07963  0.322805  1.29006      0.750388 2.10486      1.1126   0.610153     1.01634  1.34859  0.390257  0.917254 0.366768  
1 1 1 52 31 10 o 2.45718  0.176308  6.20156      0.866437 5.94629      1.22202  6.45961      1.22867  2.37101  0.257699  2.47618  0.248097  
1 1 1 52 31 11 o 3.55484  0.131146  12.8285      0.932411 11.9666      1.28866  13.7755      1.35079  3.40591  0.189179  3.65691  0.184691  
1 1 1 52 31 12 o 2.92984  0.147801  8.76004      0.866066 7.19187      1.19766  10.4789      1.25387  2.61829  0.228712  3.17964  0.197172  
1 1 1 52 31 13 o 1.52148  0.28793   2.57768      0.84429  2.1795       1.16565  3.0171       1.22453  1.34534  0.402346  1.58916  0.388094  
1 1 1 52 31 14 o 2.28541  0.184302  5.42556      0.842413 6.12921      1.21573  4.77565      1.16838  2.38873  0.254472  2.09399  0.278985  
1 1 1 52 31 15 f 0.865138 0.33188   0.691829     0.807623 0.41809      1.13056  0.977093     1.15411  0.879803 0.372186  1.00332  0.394124  
1 1 1 52 31 16 o 0.914841 0.328512  0.885007     0.767061 1.22917      1.1624   0.619536     1.0209   1.05988  0.400598  0.891795 0.363139  
1 1 1 52 31 17 o 1.68765  0.226471  3.05175      0.764407 4.35458      1.1715   2.0858       1.00873  1.96868  0.297535  1.29984  0.370133  
1 1 1 52 31 18 o 0.526255 0.255157  -1.1701      0.840047 -1.44117     1.21061  -0.918373    1.16662  0.637794 0.308591  0.675983 0.32048   
1 1 1 52 31 19 o 2.53096  0.179133  6.77035      0.906754 6.28364      1.28161  7.25817      1.28308  2.35637  0.271946  2.55448  0.251143  
1 1 1 52 31 20 o 1.12513  0.338172  1.59631      0.822086 2.4588       1.19178  0.813384     1.13548  1.33628  0.408287  0.91703  0.379559  
1 1 1 52 31 21 o 0.879412 0.334192  0.887032     0.812603 0.567645     1.13096  1.22788      1.16834  0.85234  0.366778  0.991518 0.394299  
1 1 1 52 31 22 o 1.16652  0.340121  1.83241      0.841996 2.67732      1.18441  0.969132     1.19721  1.33769  0.406687  0.912409 0.384342  
1 1 1 52 31 23 o 0.626037 0.288692  -0.197386    0.843615 -0.0196976   1.16084  -0.396263    1.2281   0.73483  0.338781  0.703797 0.331751  
1 1 1 52 31 24 o 0.679973 0.308086  0.132161     0.900767 2.31509      1.28757  -1.96031     1.26061  1.13952  0.423562  0.566178 0.281784  
1 1 1 52 31 25 o 0.676201 0.31226   0.130601     0.991458 0.584717     1.36047  -0.383747    1.44788  0.782823 0.36313   0.696514 0.337085  
1 1 1 52 31 26 o 0.801443 0.35212   0.885617     1.08586  0.476464     1.49613  1.34103      1.57845  0.77402  0.365238  0.871304 0.398942  
1 1 1 52 31 27 o 0.938743 0.36363   1.80419      0.975042 1.32725      1.38778  2.26913      1.37022  0.788254 0.366076  0.920321 0.399956  
1 1 1 52 32 0  o 0.523261 0.337732  0.0959887    0.795605 0.0959887    0.795605 0.0959887    0.795605 0.450524 0.288184  ?        ?         
1 1 1 52 32 1  o 2.50275  0.118459  6.33026      0.592949 6.30975      0.832135 6.3514       0.845128 2.48569  0.167385  2.49323  0.169485  
1 1 1 52 32 2  o 3.48442  0.107497  12.2475      0.74913  11.5792      1.13685  12.7604      0.995941 3.36661  0.168842  3.54574  0.140442  
1 1 1 52 32 3  o 3.9285   0.102052  15.5553      0.801826 14.5862      1.19911  16.3391      1.07838  3.78321  0.158478  4.0147   0.134304  
1 1 1 52 32 4  o 2.95787  0.127693  8.85787      0.755401 10.2728      1.14807  7.77767      1.00313  3.16558  0.181337  2.75416  0.182112  
1 1 1 52 32 5  o 4.5144   0.0974305 20.5283      0.879682 21.3641      1.25007  19.7084      1.23813  4.58954  0.136187  4.40613  0.140501  
1 1 1 52 32 6  o 1.09476  0.307282  1.32667      0.700129 0.923998     0.997183 1.71816      0.983228 0.994356 0.372124  1.23202  0.36974   
1 1 1 52 32 7  o 1.83167  0.180785  3.4448       0.662279 4.03408      0.966926 2.92405      0.908965 1.96034  0.246623  1.65986  0.273808  
1 1 1 52 32 8  o 2.77261  0.146137  7.83031      0.810363 7.49033      1.23197  8.0896       1.07588  2.67605  0.230184  2.79975  0.192138  
1 1 1 52 32 9  o 3.16346  0.142315  10.1857      0.900416 9.54727      1.2699   10.8312      1.27689  3.03194  0.20942   3.23615  0.197285  
1 1 1 52 32 10 o 0.964485 0.333558  0.973176     0.784334 2.00756      1.11069  -0.0557232   1.10774  1.30942  0.392978  0.804931 0.354628  
1 1 1 52 32 11 o 1.90335  0.215672  3.79025      0.820997 4.5563       1.15975  3.02071      1.16239  2.05521  0.282148  1.60714  0.369185  
1 1 1 52 32 12 o 1.9281   0.213728  3.90124      0.824176 2.72762      1.12464  5.26272      1.21131  1.51434  0.373233  2.20586  0.274566  
1 1 1 52 32 13 o 1.08303  0.34334   1.35401      0.833049 1.65762      1.18674  1.05907      1.16967  1.18221  0.410158  1.02861  0.398307  
1 1 1 52 32 14 o 1.52727  0.282615  2.62058      0.830779 3.11798      1.2026   2.16651      1.14902  1.603    0.380341  1.32362  0.400198  
1 1 1 52 32 15 o 1.43406  0.298319  2.35511      0.827272 1.66674      1.15971  3.06832      1.18044  1.17234  0.405582  1.58601  0.377147  
1 1 1 52 32 16 o 2.79628  0.164067  8.11499      0.917558 8.65348      1.26321  7.51354      1.33501  2.84474  0.222026  2.62431  0.254355  
1 1 1 52 32 17 o 1.98626  0.211935  4.22177      0.841915 4.84767      1.20346  3.62182      1.17824  2.0691   0.290817  1.72283  0.354098  
1 1 1 52 32 18 o 0.708279 0.308316  0.133631     0.816783 -0.211024    1.17901  0.451684     1.1326   0.758875 0.346347  0.853035 0.36706   
1 1 1 52 32 19 o 0.814106 0.328516  0.60048      0.826043 -0.0377305   1.16404  1.2479       1.17241  0.773968 0.350473  1.01616  0.397681  
1 1 1 52 32 20 o 1.3325   0.31714   2.20932      0.834127 3.03281      1.18013  1.38722      1.17913  1.49185  0.390848  1.03227  0.399875  
1 1 1 52 32 21 o 0.515363 0.250958  -1.07895     0.829616 -0.577954    1.17751  -1.57276     1.16904  0.682853 0.322903  0.587398 0.288784  
1 1 1 52 32 22 o 0.841041 0.334736  0.841481     0.842658 1.14067      1.18772  0.538244     1.19572  0.931394 0.387012  0.824152 0.365071  
1 1 1 52 32 23 o 0.535191 0.258918  -0.87022     0.851336 -1.26662     1.21739  -0.49083     1.19099  0.610506 0.298589  0.675784 0.322004  
1 1 1 52 32 24 o 0.680032 0.310212  0.184487     0.943493 -0.0248127   1.26133  0.450351     1.4216   0.708714 0.334696  0.780117 0.365255  
1 1 1 52 32 25 o 0.625434 0.298533  -0.321076    1.03444  0.209487     1.49275  -0.811248    1.4348   0.751284 0.358608  0.658992 0.322735  
1 1 1 52 32 26 o 1.27701  0.371867  2.89458      1.00713  2.62929      1.40407  3.17574      1.44543  1.01093  0.42047   1.10097  0.438336  
1 1 1 52 33 0  o 1.62366  0.279937  2.92674      0.827956 2.92674      0.827956 2.92674      0.827956 1.67261  0.179757  ?        ?         
1 1 1 52 33 1  o 1.84888  0.150947  3.47921      0.558167 3.63934      0.74962  3.27996      0.836191 1.8787   0.199505  1.77293  0.235821  
1 1 1 52 33 2  o 3.05637  0.125149  9.45703      0.765003 8.53546      1.16154  10.163       1.01664  2.87555  0.201968  3.15575  0.161077  
1 1 1 52 33 3  o 1.64849  0.210272  2.81436      0.693264 3.22543      1.02822  2.47174      0.938723 1.70856  0.31253   1.48538  0.324921  
1 1 1 52 33 4  o 1.59504  0.227538  2.65332      0.725864 3.35118      1.02007  1.9375       1.03311  1.77086  0.288015  1.29771  0.376227  
1 1 1 52 33 5  o 2.1884   0.161291  4.89625      0.705938 5.80708      1.0173   4.05028      0.98041  2.36333  0.215227  1.96069  0.250016  
1 1 1 52 33 6  o 3.04848  0.119845  9.41013      0.730687 8.73552      1.03403  10.083       1.03266  2.9158   0.177316  3.13846  0.164517  
1 1 1 52 33 7  o 2.05018  0.189049  4.3356       0.775168 3.6058       1.15125  4.94088      1.04845  1.79127  0.333788  2.1676   0.241846  
1 1 1 52 33 8  o 2.05055  0.203527  4.36226      0.834686 4.15693      1.20384  4.55235      1.15832  1.9567   0.307622  2.06117  0.280986  
1 1 1 52 33 9  o 1.34198  0.304435  2.02901      0.798498 0.697699     1.12125  3.39898      1.13742  0.951899 0.383311  1.72636  0.341579  
1 1 1 52 33 10 o 0.690441 0.300938  -0.00164195  0.780173 0.404668     1.09616  -0.418766    1.11065  0.878582 0.368817  0.74167  0.337856  
1 1 1 52 33 11 o 1.216    0.333258  1.72199      0.834235 1.33775      1.14236  2.16106      1.22115  1.09768  0.400232  1.32527  0.414999  
1 1 1 52 33 12 o 1.7164   0.247467  3.16242      0.849505 2.29779      1.24135  3.92401      1.16504  1.35665  0.417139  1.87576  0.310551  
1 1 1 52 33 13 o 1.00572  0.345721  1.13564      0.841489 1.81909      1.23464  0.542722     1.14996  1.21868  0.418781  0.907346 0.379152  
1 1 1 52 33 14 o 1.64888  0.25089   2.9431       0.827374 3.44341      1.19023  2.4753       1.15092  1.69262  0.362125  1.40836  0.393548  
1 1 1 52 33 15 o 0.954688 0.337949  1.01813      0.809181 1.40382      1.15866  0.65092      1.13057  1.09085  0.402531  0.913192 0.378401  
1 1 1 52 33 16 o 1.05223  0.335285  1.33115      0.793672 1.33691      1.11212  1.32517      1.13301  1.0587   0.393622  1.05688  0.396433  
1 1 1 52 33 17 o 1.50591  0.278108  2.62862      0.806125 1.48939      1.11837  3.86059      1.163    1.0827   0.395887  1.77603  0.339547  
1 1 1 52 33 18 o 1.86682  0.223577  3.81403      0.834755 2.58158      1.1593   5.14107      1.20296  1.38216  0.39784   2.11252  0.284722  
1 1 1 52 33 19 o 0.673065 0.298561  0.0267302    0.803482 -1.16767     1.13832  1.21268      1.13428  0.624113 0.301497  0.992386 0.390438  
1 1 1 52 33 20 o 0.841139 0.332704  0.792113     0.827718 2.02586      1.15123  -0.52817     1.19092  1.16906  0.40413   0.69359  0.326867  
1 1 1 52 33 21 o 1.17043  0.34178   1.88411      0.849601 2.1744       1.22086  1.61151      1.18307  1.16894  0.414976  1.03427  0.400564  
1 1 1 52 33 22 o 0.935494 0.344009  1.20407      0.845506 0.79985      1.18667  1.62087      1.20499  0.857063 0.372331  1.02051  0.40213   
1 1 1 52 33 23 o 0.912989 0.357043  1.30657      0.944691 0.634074     1.28536  2.09656      1.39313  0.797303 0.363269  1.03195  0.422868  
1 1 1 52 33 24 o 1.46203  0.349276  3.25396      1.00879  3.70335      1.4649   2.84861      1.39125  1.31293  0.455679  1.14604  0.436762  
1 1 1 52 33 25 o 0.825014 0.353597  1.11048      1.04374  1.90146      1.44294  0.24245      1.5116   0.928067 0.406842  0.735331 0.353344  
1 1 1 52 34 0  o 0.755853 0.403016  0.900223     0.818273 0.900223     0.818273 0.900223     0.818273 0.770583 0.349848  ?        ?         
1 1 1 52 34 1  o 2.62783  0.109499  6.97805      0.57549  7.31259      0.795954 6.6116       0.833044 2.67843  0.148586  2.54161  0.163881  
1 1 1 52 34 2  o 1.50976  0.236146  2.39096      0.713049 2.89212      1.12985  2.05923      0.91923  1.5847   0.36395   1.343    0.341385  
1 1 1 52 34 3  o 0.651181 0.279847  0.034034     0.656846 0.228869     0.972518 -0.129399    0.890706 0.815057 0.345015  0.714984 0.316106  
1 1 1 52 34 4  o 0.739493 0.298738  0.328599     0.684142 1.72487      1.0278   -0.782243    0.916745 1.225    0.380156  0.621135 0.291264  
1 1 1 52 34 5  o 1.00249  0.312944  1.1039       0.695122 0.0339641    1.0044   2.08747      0.963009 0.786329 0.342088  1.3464   0.353217  
1 1 1 52 34 6  o 2.81476  0.140227  8.06921      0.789411 6.79125      1.24512  8.92816      1.02079  2.53526  0.245561  2.94681  0.173203  
1 1 1 52 34 7  o 1.83751  0.230087  3.55469      0.845575 3.16629      1.23191  3.90069      1.16273  1.6376   0.382648  1.88829  0.307879  
1 1 1 52 34 8  o 4.17447  0.1237    17.7074      1.03276  16.0816      1.40151  19.6392      1.52773  3.94528  0.177619  4.36184  0.175124  
1 1 1 52 34 9  o 2.22185  0.190979  5.13819      0.848653 5.36357      1.22199  4.9282       1.17949  2.22344  0.274796  2.13003  0.276873  
1 1 1 52 34 10 o 3.07955  0.154114  9.74866      0.949203 9.58601      1.36782  9.89975      1.3183   3.006    0.227515  3.06413  0.215119  
1 1 1 52 34 11 o 1.93024  0.230245  3.96829      0.888854 3.69419      1.34385  4.18148      1.18512  1.73781  0.395431  1.93694  0.305926  
1 1 1 52 34 12 o 0.95725  0.340154  0.994531     0.820473 0.555943     1.20926  1.36867      1.11688  0.921545 0.387139  1.09272  0.396006  
1 1 1 52 34 13 o 1.63614  0.256149  2.91255      0.838192 2.18768      1.23002  3.54098      1.14528  1.3097   0.417404  1.73033  0.343141  
1 1 1 52 34 14 f 1.04024  0.334437  1.28005      0.788374 0.473513     1.12685  2.05334      1.10338  0.874348 0.370811  1.27135  0.393755  
1 1 1 52 34 15 o 2.01545  0.203467  4.33108      0.820154 4.47095      1.14226  4.18223      1.17833  1.98628  0.287536  1.90338  0.309536  
1 1 1 52 34 16 o 2.21015  0.189034  5.19818      0.835585 5.52697      1.1635   4.84798      1.20078  2.21754  0.26234   2.0491   0.293001  
1 1 1 52 34 17 o 1.63175  0.247051  2.97019      0.80625  3.57458      1.12869  2.34047      1.15209  1.69418  0.345078  1.31033  0.401651  
1 1 1 52 34 18 o 1.4903   0.279395  2.6231       0.802014 3.55047      1.12129  1.65169      1.14761  1.6734   0.346709  1.10154  0.401198  
1 1 1 52 34 19 o 1.4078   0.305357  2.47896      0.835596 1.59637      1.1657   3.41177      1.1984   1.05755  0.400741  1.56649  0.384783  
1 1 1 52 34 20 o 0.6887   0.305341  0.163696     0.838955 0.808299     1.20183  -0.44896     1.17167  0.87191  0.376678  0.686843 0.323841  
1 1 1 52 34 21 o 0.966094 0.351569  1.3079       0.881081 1.26915      1.19773  1.3536       1.30071  0.94863  0.390972  0.965444 0.403321  
1 1 1 52 34 22 o 1.32625  0.358173  2.66718      0.972406 3.55287      1.41617  1.87707      1.33757  1.36512  0.448641  1.00534  0.413556  
1 1 1 52 34 23 o 0.6173   0.290912  -0.199978    0.943309 0.162204     1.38266  -0.515344    1.29021  0.731887 0.347887  0.654792 0.31712   
1 1 1 52 34 24 o 0.657013 0.303972  0.113538     0.94528  -1.56285     1.37575  1.61278      1.30103  0.592017 0.294606  0.913069 0.393156  
1 1 1 52 34 25 o 0.855434 0.356291  1.48604      1.01034  0.734945     1.43537  2.22361      1.4224   0.726515 0.347943  0.902534 0.399188  
1 1 1 52 35 0  o 0.91609  0.412238  1.29305      0.803121 1.29305      0.803121 1.29305      0.803121 0.992685 0.32412   ?        ?         
1 1 1 52 35 1  o 1.45014  0.194037  2.17803      0.562761 2.49741      0.722216 1.68437      0.897891 1.54074  0.234373  1.21029  0.350697  
1 1 1 52 35 2  o 0.554159 0.257961  -0.533315    0.694258 -0.294653    1.06626  -0.708965    0.914729 0.748504 0.337369  0.628158 0.293834  
1 1 1 52 35 3  o 0.546125 0.254503  -0.530214    0.678153 -0.901524    0.987506 -0.198814    0.932925 0.632436 0.297929  0.714681 0.319065  
1 1 1 52 35 4  f 1.56985  0.243745  2.61328      0.765287 4.46238      1.27946  1.58323      0.954943 2.01228  0.317912  1.17013  0.367101  
1 1 1 52 35 5  o 1.62648  0.233323  2.7964       0.758993 2.01122      1.25352  3.25087      0.953682 1.29193  0.422093  1.73591  0.274692  
1 1 1 52 35 6  o 1.76625  0.238456  3.31279      0.842344 2.51417      1.25464  3.96821      1.1366   1.43017  0.414599  1.90161  0.298852  
1 1 1 52 35 7  o 1.35138  0.303294  2.08129      0.799514 1.54551      1.14971  2.58303      1.11257  1.15254  0.403338  1.46553  0.377388  
1 1 1 52 35 8  o 1.42742  0.308633  2.33444      0.856136 4.40262      1.22423  0.35483      1.19773  1.99019  0.307566  0.887171 0.379462  
1 1 1 52 35 9  o 2.52488  0.181948  6.6333       0.918797 7.09074      1.32263  6.20667      1.27731  2.56079  0.258246  2.38945  0.267281  
1 1 1 52 35 10 o 3.1727   0.140287  10.3139      0.890176 10.324       1.26687  10.304       1.25108  3.13386  0.202125  3.13265  0.199684  
1 1 1 52 35 11 o 0.666763 0.297275  -0.133566    0.807437 0.786988     1.14415  -1.04688     1.13964  0.951969 0.385605  0.661763 0.315163  
1 1 1 52 35 12 o 1.2849   0.310978  1.93656      0.791696 1.56048      1.11935  2.313        1.1199   1.13305  0.397839  1.35536  0.391314  
1 1 1 52 35 13 o 0.432914 0.216457  -1.98182     0.789077 -2.57519     1.12637  -1.40998     1.10576  0.524434 0.261752  0.606391 0.293662  
1 1 1 52 35 14 o 2.1383   0.194013  4.8553       0.829716 5.69908      1.18364  4.04013      1.16341  2.26235  0.261596  1.83698  0.328526  
1 1 1 52 35 15 o 0.844111 0.3269    0.726784     0.787921 -0.307318    1.0815   1.89653      1.15025  0.714939 0.328548  1.18772  0.404331  
1 1 1 52 35 16 o 0.53176  0.255399  -0.869636    0.78733  -0.961818    1.09704  -0.771722    1.13063  0.637262 0.304954  0.66867  0.316297  
1 1 1 52 35 17 o 2.02278  0.203087  4.44068      0.821604 4.20686      1.1399   4.69348      1.18527  1.87982  0.303194  1.99141  0.297597  
1 1 1 52 35 18 o 1.16003  0.326832  1.75649      0.790589 3.14907      1.10279  0.284005     1.13399  1.5253   0.365691  0.790329 0.352333  
1 1 1 52 35 19 o 0.856918 0.332886  0.901837     0.818354 0.934026     1.13863  0.867444     1.17697  0.889793 0.374819  0.880383 0.376346  
1 1 1 52 35 20 o 0.782313 0.329787  0.598161     0.882548 1.97893      1.2147   -0.945735    1.28445  1.1092   0.411578  0.659288 0.318795  
1 1 1 52 35 21 o 0.527376 0.256871  -0.919285    0.871133 -0.350133    1.21075  -1.53017     1.25435  0.676834 0.323045  0.586535 0.289949  
1 1 1 52 35 22 o 0.94834  0.364308  1.52349      0.974273 1.76155      1.50238  1.35073      1.27987  0.936719 0.412802  0.88526  0.385654  
1 1 1 52 35 23 o 0.575615 0.278329  -0.648652    0.97883  -1.20754     1.33232  0.00678208   1.44282  0.610665 0.301141  0.725537 0.347804  
1 1 1 52 35 24 o 0.905981 0.362237  1.68841      0.991288 2.813        1.47193  0.75501      1.34098  0.982213 0.420405  0.725895 0.343884  
1 1 1 52 36 0  o 0.640747 0.378758  0.568157     0.818024 0.568157     0.818024 0.568157     0.818024 0.609124 0.334748  ?        ?         
1 1 1 52 36 1  o 1.14546  0.252261  1.45151      0.562322 1.15026      0.704544 1.98021      0.933349 1.01084  0.314959  1.29768  0.351108  
1 1 1 52 36 2  o 3.23271  0.129292  10.6447      0.835926 10.4764      1.42977  10.7321      1.03038  3.14737  0.227136  3.23045  0.159479  
1 1 1 52 36 3  o 1.46091  0.263468  2.35662      0.741678 1.59195      1.24609  2.77614      0.922974 1.17058  0.418871  1.56517  0.305754  
1 1 1 52 36 4  o 0.578243 0.269016  -0.536036    0.753646 -1.77998     1.20806  0.256563     0.964303 0.620813 0.302402  0.804848 0.342245  
1 1 1 52 36 5  o 1.81415  0.202686  3.45028      0.735405 4.07118      1.16287  3.03647      0.949354 1.91665  0.303359  1.63865  0.300919  
1 1 1 52 36 6  o 1.86481  0.218074  3.67783      0.813333 3.23512      1.1676   4.09513      1.13361  1.64792  0.363997  1.9256   0.294352  
1 1 1 52 36 7  o 0.633689 0.289137  -0.364186    0.82065  -0.523545    1.15921  -0.204072    1.16195  0.73524  0.338807  0.78124  0.35215   
1 1 1 52 36 8  o 2.19358  0.19356   5.03782      0.849176 4.23581      1.16783  5.93763      1.23699  1.95122  0.299256  2.33598  0.264768  
1 1 1 52 36 9  o 2.80976  0.156209  8.14531      0.877822 7.38057      1.23684  8.92149      1.24606  2.62321  0.23575   2.9008   0.214779  
1 1 1 52 36 10 o 2.63181  0.163357  7.17898      0.859848 7.90134      1.23129  6.49141      1.20128  2.71693  0.226597  2.44884  0.245276  
1 1 1 52 36 11 o 1.88493  0.218867  3.80311      0.825097 5.19818      1.18304  2.48183      1.15133  2.1647   0.273258  1.39522  0.394836  
1 1 1 52 36 12 f 0.652314 0.290971  -0.100019    0.774386 0.285841     1.09679  -0.483573    1.09351  0.825503 0.358277  0.704435 0.326304  
1 1 1 52 36 13 o 0.799403 0.321917  0.544406     0.790885 -0.437378    1.12423  1.50634      1.11281  0.714326 0.330875  1.09154  0.395314  
1 1 1 52 36 14 o 0.879394 0.33205   0.844611     0.797965 0.0554169    1.13743  1.60948      1.11976  0.783159 0.350898  1.1092   0.397055  
1 1 1 52 36 15 o 1.01041  0.335892  1.26557      0.793811 1.1458       1.12065  1.38617      1.1246   0.98615  0.388053  1.04494  0.394301  
1 1 1 52 36 16 o 1.44358  0.289583  2.50293      0.806608 2.45522      1.13219  2.5521       1.14944  1.32643  0.396495  1.35144  0.398473  
1 1 1 52 36 17 o 0.974732 0.334311  1.23793      0.786478 0.750416     1.09556  1.75633      1.12973  0.865262 0.366225  1.09897  0.398276  
1 1 1 52 36 18 o 0.995081 0.340415  1.35195      0.815332 1.93594      1.07812  0.571726     1.24616  1.13338  0.391156  0.838333 0.371852  
1 1 1 52 36 19 o 0.591458 0.278877  -0.4827      0.869027 -0.27761     1.19387  -0.713835    1.26741  0.706373 0.331441  0.677584 0.325097  
1 1 1 52 36 20 o 0.488483 0.241643  -1.37613     0.874952 -1.41232     1.2222   -1.33808     1.25312  0.589212 0.290184  0.602141 0.296593  
1 1 1 52 36 21 o 0.650257 0.298901  0.0822303    0.895766 0.26239      1.37235  -0.0515023   1.18238  0.747785 0.351961  0.687494 0.324491  
1 1 1 52 36 22 o 1.48377  0.337612  3.23326      0.979622 2.15826      1.40845  4.24064      1.36344  1.0141   0.421414  1.53373  0.428267  
1 1 1 52 36 23 o 0.649954 0.304101  0.199357     0.9805   -0.140825    1.47604  0.46802      1.31173  0.674554 0.32965   0.71353  0.339012  
1 1 1 52 37 0  o 3.3198   0.157847  11.261       1.04264  11.261       1.04264  11.261       1.04264  3.33797  0.110711  ?        ?         
1 1 1 52 37 1  o 0.831352 0.28587   0.726081     0.575393 0.159296     0.739137 1.59787      0.916687 0.70523  0.299752  1.16125  0.358748  
1 1 1 52 37 2  o 2.612    0.156263  7.02627      0.816317 5.59298      1.43147  7.71701      0.993739 2.22915  0.321079  2.7233   0.182451  
1 1 1 52 37 3  o 4.04677  0.110508  16.6224      0.894402 15.1059      1.37673  17.7298      1.17649  3.81112  0.180621  4.15996  0.141407  
1 1 1 52 37 4  o 2.0364   0.193068  4.33861      0.78633  3.50538      1.28021  4.84341      0.996446 1.69749  0.385746  2.12973  0.233937  
1 1 1 52 37 5  o 3.45459  0.131221  12.1917      0.90663  12.6663      1.34296  11.7942      1.22895  3.47851  0.193036  3.36451  0.182634  
1 1 1 52 37 6  o 0.81401  0.324752  0.526937     0.794876 1.58112      1.1185   -0.54872     1.12984  1.14881  0.398227  0.719798 0.332754  
1 1 1 52 37 7  o 1.19903  0.329693  1.70148      0.814834 1.68171      1.14123  1.72204      1.1638   1.17356  0.402691  1.18465  0.406638  
1 1 1 52 37 8  o 0.835379 0.327227  0.621988     0.794162 1.07907      1.13361  0.181442     1.11291  1.01158  0.392034  0.821973 0.358836  
1 1 1 52 37 9  o 2.3432   0.181172  5.75405      0.849042 5.44882      1.20348  6.0565       1.19799  2.2184   0.27125   2.35239  0.254632  
1 1 1 52 37 10 o 3.71392  0.126771  14.1364      0.941632 14.8464      1.33324  13.4298      1.3301   3.76265  0.177168  3.56989  0.186295  
1 1 1 52 37 11 o 1.45981  0.283016  2.46605      0.796806 3.48879      1.12628  1.44122      1.12743  1.68964  0.345222  1.07925  0.397207  
1 1 1 52 37 12 o 0.730221 0.31026   0.278439     0.791342 -0.152169    1.11583  0.714176     1.12245  0.747596 0.340043  0.899614 0.375169  
1 1 1 52 37 13 o 0.939015 0.339018  1.03901      0.817875 0.868226     1.16981  1.20231      1.14392  0.934871 0.385997  1.00483  0.392907  
1 1 1 52 37 14 o 2.43566  0.178361  6.2995       0.86885  7.14126      1.23009  5.46142      1.22739  2.53073  0.243031  2.17439  0.282239  
1 1 1 52 37 15 o 2.30925  0.180073  5.71254      0.831666 5.96702      1.18216  5.46316      1.17024  2.28014  0.25923   2.1704   0.26959   
1 1 1 52 37 16 o 1.69013  0.24749   3.28997      0.836582 3.32969      1.14155  3.2439       1.22956  1.55778  0.371167  1.4949   0.402325  
1 1 1 52 37 17 o 0.724523 0.313196  0.353101     0.831835 1.48138      1.13309  -0.965783    1.22507  1.00696  0.391594  0.647073 0.312621  
1 1 1 52 37 18 o 0.812269 0.335914  0.72553      0.888172 2.18354      1.22818  -0.87284     1.28594  1.15804  0.415704  0.666155 0.321515  
1 1 1 52 37 19 f 0.549816 0.263637  -0.609209    0.830355 -1.15439     1.19637  -0.102484    1.1534   0.602967 0.295158  0.696218 0.326514  
1 1 1 52 37 20 o 0.985459 0.343094  1.52896      0.831003 1.32978      1.168    1.73315      1.18257  0.891587 0.377791  0.971682 0.39267   
1 1 1 52 37 21 o 0.779061 0.333971  0.789328     0.931431 -1.45193     1.34768  2.83895      1.28878  0.598469 0.296952  1.19293  0.426074  
1 1 1 52 37 22 o 0.543324 0.264881  -0.710471    0.934099 -0.00144743  1.38091  -1.30857     1.2683   0.686162 0.331575  0.571689 0.284265  
1 1 1 52 38 0  o 1.7537   0.293007  3.46426      0.941301 3.46426      0.941301 3.46426      0.941301 1.81315  0.188191  ?        ?         
1 1 1 52 38 1  f 1.91792  0.158994  3.79866      0.609875 4.0945       0.771178 3.30472      0.996478 1.97522  0.195213  1.7009   0.303882  
1 1 1 52 38 2  o 1.54222  0.256621  2.58242      0.79153  1.11946      1.31143  3.42075      0.992744 1.05011  0.417701  1.76028  0.281984  
1 1 1 52 38 3  f 2.55958  0.162137  6.77842      0.830003 7.32314      1.40376  6.48563      1.02917  2.58285  0.271747  2.47693  0.207752  
1 1 1 52 38 4  o 3.32862  0.127973  11.3229      0.851951 10.9764      1.33507  11.561       1.10654  3.22124  0.207229  3.33899  0.165699  
1 1 1 52 38 5  o 3.12825  0.14167   10.0567      0.88636  9.68494      1.24847  10.4345      1.25859  3.02431  0.206406  3.1444   0.200133  
1 1 1 52 38 6  o 0.969957 0.336474  1.06785      0.798629 1.30346      1.17899  0.868083     1.08564  1.06704  0.403405  0.952086 0.379626  
1 1 1 52 38 7  o 1.36081  0.297893  2.15847      0.788509 1.85433      1.14014  2.43731      1.09168  1.20709  0.40255   1.39017  0.381332  
1 1 1 52 38 8  o 1.65001  0.244573  2.97694      0.807095 2.07193      1.13058  3.91747      1.15255  1.2641   0.399904  1.81463  0.32974   
1 1 1 52 38 9  o 0.963792 0.335339  1.08433      0.793752 1.49431      1.12358  0.675876     1.12149  1.09364  0.397108  0.901352 0.375395  
1 1 1 52 38 10 o 0.809187 0.32207   0.598411     0.780124 0.464212     1.10643  0.731082     1.10012  0.849384 0.364052  0.901566 0.373408  
1 1 1 52 38 11 o 2.24308  0.186194  5.35432      0.835295 5.66582      1.20023  5.06173      1.16321  2.23633  0.268349  2.10653  0.276096  
1 1 1 52 38 12 o 1.36268  0.316402  2.2743       0.846497 1.19165      1.15383  3.53623      1.2457   1.00004  0.39368   1.63959  0.385866  
1 1 1 52 38 13 o 0.989373 0.349952  1.2243       0.867528 0.849952     1.19158  1.64652      1.26549  0.922343 0.38572   1.09791  0.4171    
1 1 1 52 38 14 o 0.710778 0.313916  0.150654     0.875282 0.582505     1.23567  -0.284243    1.24002  0.863199 0.37746   0.739998 0.344578  
1 1 1 52 38 15 o 0.781682 0.32251   0.587234     0.815852 0.422983     1.1457   0.756207     1.16205  0.808251 0.357776  0.868055 0.372607  
1 1 1 52 38 16 o 0.708906 0.309495  0.284445     0.827992 0.474186     1.14508  0.0765267    1.19867  0.806611 0.357284  0.757259 0.347111  
1 1 1 52 38 17 o 0.569961 0.269898  -0.527318    0.825245 0.320258     1.17557  -1.35081     1.15875  0.780318 0.352836  0.591781 0.289869  
1 1 1 52 38 18 o 0.780465 0.321219  0.739768     0.807372 1.83193      1.14083  -0.356102    1.14276  1.03435  0.395125  0.663262 0.315743  
1 1 1 52 38 19 o 0.553871 0.265259  -0.507136    0.834201 -0.0479847   1.19595  -0.942211    1.16417  0.691152 0.326256  0.598371 0.292499  
1 1 1 52 38 20 o 0.922392 0.35065   1.38116      0.894877 1.57023      1.30928  1.21539      1.22592  0.918609 0.394948  0.862689 0.376613  
1 1 1 52 38 21 o 0.708207 0.316099  0.545343     0.915173 -0.431022    1.3436   1.39037      1.24997  0.65155  0.317649  0.853395 0.376248  
1 1 1 52 39 0  o 0.868977 0.424284  1.2508       0.862687 1.2508       0.862687 1.2508       0.862687 0.937754 0.350365  ?        ?         
1 1 1 52 39 1  o 1.00104  0.320261  1.16812      0.723604 1.69226      1.18275  0.854578     0.914779 1.1642   0.408934  0.918767 0.352991  
1 1 1 52 39 2  o 0.536363 0.255068  -0.74618     0.744045 -1.40212     1.22453  -0.362266    0.936813 0.649233 0.313445  0.672215 0.3076    
1 1 1 52 39 3  o 2.64629  0.182119  7.35049      0.963882 7.69033      1.34846  6.99545      1.3783   2.64827  0.254592  2.50762  0.274822  
1 1 1 52 39 4  o 3.58434  0.156679  13.3288      1.12318  15.9409      1.57243  10.6076      1.60491  3.87286  0.203006  3.10265  0.258635  
1 1 1 52 39 5  o 1.49256  0.31225   2.6313       0.901958 2.75118      1.3074   2.52242      1.24594  1.43391  0.425555  1.37929  0.416674  
1 1 1 52 39 6  o 1.00958  0.345173  1.21343      0.838286 1.92917      1.22599  0.584976     1.1488   1.20926  0.41714   0.890241 0.375819  
1 1 1 52 39 7  o 0.801695 0.32707   0.514795     0.829752 0.284495     1.19432  0.729671     1.15363  0.841633 0.369535  0.914929 0.380872  
1 1 1 52 39 8  o 1.43181  0.311264  2.46902      0.866434 3.39752      1.24601  1.59974      1.20563  1.61007  0.390418  1.10841  0.410288  
1 1 1 52 39 9  o 0.930445 0.341924  1.00314      0.835168 0.533601     1.18069  1.47334      1.18152  0.87305  0.375196  1.07344  0.4044    
1 1 1 52 39 10 o 2.10111  0.209072  4.78157      0.878569 5.35098      1.23776  4.20337      1.24727  2.15097  0.287721  1.83148  0.353109  
1 1 1 52 39 11 o 0.825294 0.334703  0.627544     0.863493 0.854488     1.22886  0.4062       1.21361  0.932896 0.391009  0.850675 0.373013  
1 1 1 52 39 12 o 0.809941 0.335024  0.58725      0.883777 0.17818      1.22959  1.02443      1.27114  0.805286 0.362662  0.954112 0.398657  
1 1 1 52 39 13 o 0.653341 0.298443  -0.161212    0.877585 -0.130954    1.25327  -0.190321    1.22926  0.757084 0.35017   0.744217 0.345205  
1 1 1 52 39 14 o 1.69601  0.247727  3.33945      0.840295 4.05148      1.22541  2.70747      1.15447  1.71956  0.367108  1.34799  0.399859  
1 1 1 52 39 15 o 1.64824  0.247076  3.17365      0.814481 1.82611      1.17162  4.43391      1.13304  1.08501  0.403893  1.88562  0.300444  
1 1 1 52 39 16 o 0.737551 0.313834  0.464168     0.811793 1.70524      1.13102  -0.854557    1.16587  1.04734  0.395361  0.635832 0.306696  
1 1 1 52 39 17 o 1.40503  0.309177  2.69085      0.845315 3.04943      1.22282  2.36265      1.16985  1.32492  0.41536   1.15476  0.406589  
1 1 1 52 39 18 o 0.764067 0.320559  0.737461     0.82727  -0.965659    1.15471  2.53349      1.18579  0.593692 0.290467  1.16099  0.409292  
1 1 1 52 39 19 o 0.688686 0.307422  0.361428     0.865851 -0.210493    1.28072  0.842895     1.17509  0.684333 0.327964  0.80166  0.357987  
1 1 1 52 39 20 o 0.574508 0.275509  -0.38813     0.907487 -0.87918     1.30138  0.0766641    1.26611  0.612273 0.301573  0.688435 0.329003  
1 1 1 52 40 0  o 1.38219  0.461029  2.7169       1.13219  2.7169       1.13219  2.7169       1.13219  1.53049  0.293014  ?        ?         
1 1 1 52 40 1  o 0.865402 0.33964   0.730711     0.856402 1.09906      1.09993  0.163661     1.36473  0.991721 0.38579   0.863348 0.385657  
1 1 1 52 40 2  o 1.46639  0.292508  2.51164      0.827476 1.49558      1.17592  3.50826      1.16461  1.09322  0.405094  1.68193  0.357015  
1 1 1 52 40 3  o 3.26354  0.148234  11.048       0.967537 12.3133      1.48422  10.113       1.27589  3.37224  0.220065  3.06879  0.207882  
1 1 1 52 40 4  o 0.926637 0.34835   0.957871     0.875784 -0.0218531   1.24757  1.90975      1.22971  0.803877 0.363485  1.19122  0.417111  
1 1 1 52 40 5  o 2.21074  0.196089  5.22719      0.867005 7.23906      1.27274  3.48523      1.18429  2.55048  0.24951   1.6552   0.367427  
1 1 1 52 40 6  o 2.046    0.209229  4.52292      0.856164 5.90887      1.25873  3.32964      1.16796  2.27637  0.276477  1.61219  0.369882  
1 1 1 52 40 7  o 1.49689  0.298493  2.668        0.861964 2.55377      1.27707  2.76358      1.16819  1.34892  0.424792  1.43665  0.394639  
1 1 1 52 40 8  o 1.29699  0.328222  2.09565      0.852553 -0.224575    1.23169  4.22986      1.18128  0.764283 0.35097   1.88819  0.312807  
1 1 1 52 40 9  o 1.80735  0.235513  3.62089      0.851309 4.15119      1.25291  3.1661       1.16028  1.80732  0.359384  1.5519   0.377019  
1 1 1 52 40 10 o 3.1913   0.146726  10.6523      0.936496 10.4913      1.388    10.7869      1.26882  3.07608  0.225612  3.1507   0.201355  
1 1 1 52 40 11 o 1.23536  0.334154  1.9941       0.845531 2.35255      1.27141  1.70985      1.13219  1.24353  0.425093  1.09398  0.398489  
1 1 1 52 40 12 o 1.05435  0.342935  1.50393      0.827447 2.56316      1.18721  0.503341     1.15388  1.30251  0.409453  0.823474 0.362383  
1 1 1 52 40 13 o 0.768056 0.319263  0.565029     0.808758 0.201746     1.1639   0.904211     1.12463  0.76864  0.348993  0.882162 0.372098  
1 1 1 52 40 14 o 0.684729 0.300792  0.219913     0.792102 -0.784434    1.09265  1.33236      1.14995  0.626751 0.300985  0.966703 0.388635  
1 1 1 52 40 15 o 1.80941  0.234986  3.82055      0.850372 2.51791      1.23031  5.01215      1.1767   1.22781  0.418165  1.99321  0.295177  
1 1 1 52 40 16 o 0.692765 0.305947  0.354452     0.831278 0.616131     1.21457  0.123856     1.14016  0.790013 0.357855  0.713299 0.331476  
1 1 1 52 40 17 o 0.660581 0.298356  0.230303     0.838205 -1.09409     1.16811  1.63614      1.20349  0.584946 0.28793   0.942871 0.390539  
1 1 1 52 40 18 o 1.39508  0.320449  2.78083      0.875797 2.26973      1.23924  3.29082      1.23789  1.07258  0.411208  1.34088  0.417423  
1 1 1 52 40 19 o 0.601341 0.283312  -0.130195    0.893453 0.679539     1.30721  -0.840083    1.22396  0.755229 0.35249   0.59951  0.294981  
1 1 1 52 41 0  o 3.07153  0.246362  10.1296      1.49102  10.1296      1.49102  10.1296      1.49102  3.12843  0.169644  ?        ?         
1 1 1 52 41 1  o 0.868978 0.348247  0.741539     0.919222 1.03682      1.3406   0.479525     1.26283  0.989864 0.411228  0.879181 0.383041  
1 1 1 52 41 2  o 0.996358 0.353038  1.21542      0.88324  0.833183     1.24525  1.6024       1.25296  0.938834 0.393558  1.10427  0.416342  
1 1 1 52 41 3  o 0.955508 0.361404  1.06565      0.946623 0.957177     1.36447  1.1663       1.31439  0.976279 0.410735  1.01056  0.411862  
1 1 1 52 41 4  f 0.944689 0.348657  1.05083      0.869346 1.95668      1.22635  0.135784     1.23255  1.19104  0.416589  0.816134 0.365485  
1 1 1 52 41 5  o 1.15157  0.337656  1.6753       0.827574 1.58737      1.18835  1.75809      1.15317  1.09594  0.407004  1.14107  0.403487  
1 1 1 52 41 6  o 1.14879  0.33799   1.67233      0.827847 0.0641418    1.17757  3.24383      1.16405  0.788879 0.35511   1.57581  0.374391  
1 1 1 52 41 7  o 0.613021 0.282686  -0.328205    0.808841 -0.479274    1.13368  -0.171579    1.15434  0.698412 0.326853  0.745069 0.341151  
1 1 1 52 41 8  o 0.796281 0.328324  0.564158     0.845004 0.00162488   1.19834  1.1205       1.19172  0.772701 0.35171   0.965485 0.392614  
1 1 1 52 41 9  o 1.00021  0.349519  1.31827      0.863092 2.03962      1.24887  0.658728     1.19416  1.1654   0.419106  0.866737 0.374972  
1 1 1 52 41 10 o 0.877914 0.335752  0.942012     0.824511 -0.0437254   1.20607  1.80694      1.12974  0.752837 0.346379  1.10559  0.398515  
1 1 1 52 41 11 o 0.988303 0.342878  1.33127      0.829338 1.80207      1.22035  0.927233     1.13052  1.0803   0.409832  0.889522 0.374034  
1 1 1 52 41 12 o 0.687782 0.303506  0.197791     0.815867 1.42843      1.18394  -0.915076    1.12587  0.990269 0.395902  0.623737 0.300992  
1 1 1 52 41 13 o 0.966002 0.35023   1.30732      0.873675 0.797659     1.28378  1.74701      1.1924   0.867935 0.382092  1.05261  0.403417  
1 1 1 52 41 14 o 1.62083  0.2671    3.24363      0.865846 2.87248      1.23608  3.60118      1.21322  1.29734  0.418935  1.52229  0.395116  
1 1 1 52 41 15 o 0.635262 0.289394  0.0730486    0.815027 -0.392082    1.16214  0.523254     1.14334  0.654257 0.313275  0.763873 0.346547  
1 1 1 52 41 16 o 0.602079 0.280019  -0.0825919   0.815755 0.180368     1.14137  -0.357186    1.16634  0.702241 0.328384  0.647118 0.310816  
1 1 1 52 41 17 o 0.756431 0.322324  0.704203     0.858466 0.733767     1.22926  0.676058     1.1994   0.789175 0.358408  0.778902 0.353819  
1 1 1 52 41 18 f 0.654086 0.298223  0.286534     0.869543 1.15094      1.24497  -0.536783    1.21502  0.80792  0.364326  0.617488 0.301227  
1 1 1 52 42 0  o 0.504236 0.353659  -0.761399    1.27292  -0.761399    1.27292  -0.761399    1.27292  0.408485 0.289307  ?        ?         
1 1 1 52 42 1  o 1.02054  0.359662  1.31791      0.915583 2.72007      1.30512  -0.0408686   1.28478  1.37575  0.428675  0.797807 0.363415  
1 1 1 52 42 2  o 2.12574  0.226767  4.98376      0.964094 3.99073      1.39727  5.88611      1.33195  1.70124  0.414006  2.23521  0.297946  
1 1 1 52 42 3  o 1.97897  0.240021  4.37851      0.949985 3.03361      1.38274  5.58082      1.30739  1.43337  0.440157  2.16877  0.301413  
1 1 1 52 42 4  o 0.722781 0.341733  -0.678166    1.31841  -0.678166    1.31841  0            0        0.72265  0.341701  ?        ?         
1 1 1 52 42 5  o 0.626803 0.291228  -0.373612    0.879586 -0.419095    1.18514  -0.317834    1.31243  0.712705 0.333658  0.756452 0.353111  
1 1 1 52 42 6  o 0.745172 0.320583  0.344204     0.86361  -0.393116    1.17903  1.19771      1.26853  0.71027  0.332568  0.977087 0.402474  
1 1 1 52 42 7  o 0.609053 0.283823  -0.368364    0.843355 -1.05747     1.19396  0.317801     1.19141  0.639407 0.308867  0.805282 0.360012  
1 1 1 52 42 8  o 0.590284 0.277063  -0.459199    0.836795 -0.842627    1.20642  -0.103698    1.16166  0.660036 0.316799  0.733182 0.338355  
1 1 1 52 42 9  o 1.49902  0.299563  2.83116      0.866341 2.75688      1.23327  2.90352      1.21727  1.32828  0.417274  1.37711  0.411018  
1 1 1 52 42 10 o 1.9598   0.224057  4.37093      0.878213 5.47057      1.26853  3.35876      1.21703  2.09095  0.303338  1.50538  0.398077  
1 1 1 52 42 11 o 0.93402  0.348452  1.19209      0.872998 0.489428     1.27961  1.80392      1.19404  0.82237  0.370182  1.06959  0.4055    
1 1 1 52 42 12 o 1.16152  0.353675  1.96473      0.895297 0.697582     1.29967  3.10906      1.23508  0.842235 0.376286  1.39005  0.413838  
1 1 1 52 42 13 o 1.26801  0.343634  2.37789      0.893141 3.31429      1.29694  1.53324      1.23177  1.35992  0.428048  0.948713 0.39416   
1 1 1 52 42 14 o 1.71092  0.259755  3.6861       0.88884  2.7923       1.21636  4.71024      1.30203  1.22382  0.415788  1.72314  0.387265  
1 1 1 52 42 15 o 1.13734  0.344322  2.03004      0.850198 0.731546     1.2029   3.32623      1.20183  0.782345 0.355104  1.36212  0.40878   
1 1 1 52 42 16 o 1.00992  0.351576  1.68026      0.872578 1.63543      1.26221  1.72129      1.20763  0.926232 0.392615  0.949786 0.392173  
1 1 1 52 42 17 o 0.831458 0.336119  1.20292      0.866898 2.84407      1.21825  -0.480556    1.23386  1.12696  0.413077  0.61709  0.301528  
1 1 1 52 43 0  o 0.780542 0.467071  1.13946      1.26939  1.13946      1.26939  1.13946      1.26939  0.789689 0.421812  ?        ?         
1 1 1 52 43 1  o 1.0569   0.360474  1.5182       0.91425  2.95955      1.28469  0.0391893    1.30136  1.40321  0.422944  0.790381 0.362035  
1 1 1 52 43 2  o 0.721842 0.319741  0.172521     0.917119 1.99668      1.35127  -1.38545     1.24879  1.13734  0.431318  0.627194 0.305858  
1 1 1 52 43 3  o 1.56895  0.304568  3.06542      0.921596 3.43505      1.27851  2.66561      1.32966  1.53463  0.409013  1.30077  0.434722  
1 1 1 52 43 4  o 1.03562  0.359976  1.47815      0.914479 1.08558      1.31784  1.84274      1.27002  0.94384  0.400682  1.0995   0.417803  
1 1 1 52 43 5  o 1.35111  0.346544  2.46579      0.940913 2.33951      1.31491  2.59829      1.34697  1.20667  0.430433  1.26483  0.437148  
1 1 1 52 43 6  o 1.82144  0.255444  3.89425      0.930549 4.22439      1.31351  3.56161      1.3185   1.72153  0.390402  1.529    0.418929  
1 1 1 52 43 7  o 1.61789  0.289929  3.25581      0.90417  2.91887      1.19025  3.71555      1.39031  1.38783  0.404304  1.53231  0.433963  
1 1 1 52 43 8  o 0.799995 0.331128  0.671911     0.864231 0.339054     1.165    1.07924      1.28876  0.786311 0.353624  0.922268 0.394018  
1 1 1 52 43 9  o 1.00088  0.346441  1.40664      0.846247 1.19828      1.16815  1.63675      1.22761  0.934784 0.385828  1.02664  0.405462  
1 1 1 52 43 10 o 1.03626  0.34658   1.545        0.845134 1.76631      1.17392  1.3069       1.21768  1.04754  0.400625  0.945086 0.39223   
1 1 1 52 43 11 o 0.648935 0.295807  0.0606218    0.854453 1.06176      1.1944   -0.988803    1.22286  0.867275 0.375104  0.619645 0.302265  
1 1 1 52 43 12 o 1.30764  0.340009  2.52859      0.897383 2.73252      1.24192  2.30578      1.29812  1.20742  0.419521  1.08483  0.419705  
1 1 1 52 43 13 o 0.808983 0.334713  0.939866     0.882481 -0.243764    1.25218  2.10787      1.24389  0.675019 0.323691  1.03053  0.40778   
1 1 1 52 43 14 o 1.12171  0.363375  2.07171      0.929425 1.38669      1.33017  2.7252       1.29919  0.888113 0.389964  1.16016  0.426449  
1 1 1 52 43 15 o 1.71226  0.271032  3.84506      0.928153 4.6678       1.33158  3.06758      1.29443  1.63665  0.40781   1.21599  0.427737  
1 1 1 52 43 16 o 0.596103 0.280966  -0.00156577  0.880577 0.167204     1.24346  -0.171351    1.2472   0.661488 0.318497  0.631946 0.307724  
1 1 1 52 44 0  o 0.463445 0.331036  -1.02166     1.25083  -1.02166     1.25083  -1.02166     1.25083  0.372247 0.268392  ?        ?         
1 1 1 52 44 1  o 0.94449  0.352195  1.20667      0.89165  0.80288      1.2679   1.60177      1.25418  0.877639 0.383075  1.02917  0.408761  
1 1 1 52 44 2  o 1.44172  0.329307  2.74904      0.929109 3.7926       1.37326  1.8681       1.26173  1.5627   0.427265  1.08713  0.415463  
1 1 1 52 44 3  o 0.668946 0.304419  -0.0339404   0.896691 -0.730243    1.2477   0.709869     1.28956  0.67524  0.323631  0.86374  0.381309  
1 1 1 52 44 4  o 2.23842  0.216657  5.6578       0.969941 7.76209      1.44068  3.91323      1.31177  2.51869  0.285998  1.62251  0.405057  
1 1 1 52 44 5  o 1.33192  0.345497  2.43876      0.927991 3.92616      1.32343  1.00005      1.30159  1.6172   0.408749  0.908602 0.392259  
1 1 1 52 44 6  o 0.752463 0.324825  0.449411     0.892406 0.743544     1.25368  0.147288     1.2706   0.858591 0.377784  0.774565 0.356018  
1 1 1 52 44 7  o 0.870745 0.34454   0.976233     0.887961 0.441279     1.2551   1.51233      1.25644  0.807939 0.36499   0.993246 0.403391  
1 1 1 52 44 8  o 1.67988  0.26997   3.47243      0.907032 2.98138      1.27776  3.97122      1.28778  1.32377  0.425785  1.60326  0.401995  
1 1 1 52 44 9  o 0.633203 0.295201  -0.126611    0.913545 -1.92692     1.23828  2.02353      1.35325  0.555212 0.276736  1.03372  0.4191    
1 1 1 52 44 10 o 0.587525 0.276882  -0.310756    0.854534 -1.18886     1.15171  0.764722     1.27459  0.579522 0.285467  0.809409 0.366619  
1 1 1 52 44 11 o 0.6204   0.291001  -0.145902    0.91744  -0.177322    1.21191  -0.103726    1.40412  0.676894 0.323104  0.713416 0.342263  
1 1 1 52 44 12 o 0.832048 0.338499  1.042        0.886237 -0.297502    1.24363  2.42414      1.26326  0.667556 0.320709  1.09511  0.416528  
1 1 1 52 44 13 o 0.702748 0.313466  0.426827     0.898729 0.653526     1.32027  0.23107      1.22686  0.779815 0.360195  0.719354 0.337254  
1 1 1 52 44 14 o 0.846379 0.343164  1.2269       0.907365 0.824459     1.23184  1.70425      1.34159  0.765839 0.351394  0.888957 0.390977  
1 1 1 52 44 15 o 0.888288 0.355049  1.57521      0.951896 1.79595      1.27365  1.29588      1.43271  0.863474 0.380353  0.782332 0.366362  
1 1 1 52 45 0  o 1.02955  0.509485  2.12908      1.25057  2.12908      1.25057  2.12908      1.25057  1.19092  0.412425  ?        ?         
1 1 1 52 45 1  o 0.665083 0.303142  -0.0290862   0.896924 -0.00241179  1.26616  -0.0559539   1.27074  0.752582 0.34957   0.746775 0.348154  
1 1 1 52 45 2  o 0.839059 0.34318   0.839593     0.915822 2.00964      1.33623  -0.196916    1.25767  1.09284  0.425197  0.726589 0.340793  
1 1 1 52 45 3  o 0.712028 0.314185  0.279874     0.874097 -0.821308    1.2301   1.403        1.2423   0.654523 0.315545  0.970438 0.398769  
1 1 1 52 45 4  f 2.06012  0.233406  4.95222      0.961688 5.06848      1.40828  4.85062      1.31643  1.85161  0.392265  1.84727  0.369372  
1 1 1 52 45 5  o 2.05969  0.233265  4.99584      0.960907 6.05984      1.39007  4.02213      1.32979  2.12143  0.327627  1.58213  0.415071  
1 1 1 52 45 6  o 0.80955  0.336017  0.851932     0.89382  1.41067      1.26889  0.301623     1.25927  0.926935 0.39332   0.758199 0.350808  
1 1 1 52 45 7  o 1.93337  0.249268  4.58981      0.963851 5.18078      1.38527  4.03522      1.34194  1.81926  0.391925  1.52755  0.424336  
1 1 1 52 45 8  o 0.502761 0.248453  -1.30521     0.919078 -1.32517     1.29902  -1.28521     1.30052  0.601734 0.296885  0.604862 0.298099  
1 1 1 52 45 9  o 1.06685  0.362255  1.89563      0.923309 0.850475     1.2721   3.05919      1.34223  0.806446 0.365718  1.22258  0.435004  
1 1 1 52 45 10 o 0.611306 0.287967  -0.209367    0.922443 -0.187305    1.31391  -0.23081     1.29535  0.68932  0.330796  0.682303 0.327676  
1 1 1 52 45 11 f 1.6885   0.312122  3.96696      1.01438  3.67965      1.42956  4.25831      1.43958  1.33488  0.450758  1.48005  0.448041  
1 1 1 52 45 12 o 0.587016 0.281009  -0.367074    0.9336   -0.789695    1.28858  0.0999008    1.35451  0.621964 0.304945  0.707983 0.338811  
1 1 1 52 45 13 o 0.78784  0.339674  1.12826      0.973552 1.92871      1.32612  0.192562     1.43379  0.878193 0.387314  0.681417 0.331314  
1 1 1 52 46 0  o 0.489575 0.347355  -0.660206    1.31297  -0.660206    1.31297  -0.660206    1.31297  0.409155 0.290688  ?        ?         
1 1 1 52 46 1  o 0.624586 0.29233   -0.162236    0.907623 -0.461776    1.28617  0.134901     1.281    0.675495 0.324918  0.736066 0.345003  
1 1 1 52 46 2  o 0.692715 0.315423  0.215048     0.965829 0.0874902    1.39854  0.331353     1.33542  0.745878 0.352329  0.764589 0.356631  
1 1 1 52 46 3  o 0.676826 0.30743   0.199918     0.905172 -0.805531    1.28216  1.19895      1.27806  0.641498 0.312309  0.878159 0.383942  
1 1 1 52 46 4  o 0.851649 0.344997  1.07613      0.915958 0.200711     1.32044  1.88805      1.27165  0.741203 0.347926  0.998757 0.40576   
1 1 1 52 46 5  o 0.817172 0.341235  0.945277     0.930465 1.03542      1.33232  0.859448     1.30003  0.842232 0.378503  0.816447 0.370009  
1 1 1 52 46 6  o 0.915412 0.354556  1.37488      0.926939 0.62193      1.28953  2.17987      1.33334  0.777796 0.35799   1.02851  0.416409  
1 1 1 52 46 7  o 0.663229 0.304129  0.168206     0.921199 -0.183304    1.28552  0.539239     1.32074  0.683644 0.327861  0.76506  0.356004  
1 1 1 52 46 8  o 1.46496  0.33489   3.14848      0.960241 1.8992       1.34126  4.46207      1.37535  0.973145 0.408218  1.58195  0.425402  
1 1 1 52 46 9  o 0.588816 0.282684  -0.480276    0.962045 -0.0806397   1.41449  -0.824264    1.31232  0.712358 0.342184  0.633468 0.309864  
1 1 1 52 46 10 o 0.773937 0.332722  0.846398     0.929086 0.555631     1.31347  1.13757      1.31439  0.751296 0.351641  0.825537 0.373195  
1 1 1 52 46 11 o 0.698226 0.316657  0.588426     0.953814 1.39125      1.34891  -0.214371    1.34889  0.811085 0.370294  0.647536 0.316156  
1 1 1 52 47 0  o 0.653253 0.423662  0.829456     1.27457  0.829456     1.27457  0.829456     1.27457  0.643536 0.389307  ?        ?         
1 1 1 52 47 1  o 1.0101   0.364822  1.75253      0.947201 1.2871       1.32927  2.23262      1.35006  0.864746 0.383749  1.02581  0.417635  
1 1 1 52 47 2  o 0.725895 0.326831  0.492284     0.998034 0.902563     1.4356   0.108518     1.38844  0.814939 0.376106  0.725471 0.346183  
1 1 1 52 47 3  o 0.616589 0.289339  -0.143071    0.910568 0.275558     1.27634  -0.576991    1.29945  0.731017 0.342949  0.65127  0.316264  
1 1 1 52 47 4  o 0.937889 0.354483  1.45094      0.910167 3.2813       1.3209   -0.203697    1.2559   1.28792  0.433288  0.679777 0.325537  
1 1 1 52 47 5  o 0.645372 0.299813  0.00734738   0.931787 0.832311     1.33714  -0.771426    1.29917  0.809791 0.369376  0.638264 0.311384  
1 1 1 52 47 6  o 0.998019 0.359537  1.67544      0.919439 1.97658      1.28311  1.35763      1.31816  0.992132 0.406068  0.879049 0.387079  
1 1 1 52 47 7  o 0.745276 0.331229  0.647844     0.995322 -1.5653      1.37699  3.0693       1.44034  0.589717 0.293639  1.15492  0.443161  
1 1 1 52 47 8  o 0.722292 0.322881  0.624097     0.95814  1.96228      1.38199  -0.614461    1.32956  0.923962 0.401606  0.632452 0.309981  
1 1 1 52 47 9  o 0.885386 0.356168  1.57755      0.966696 -0.136862    1.38104  3.22451      1.3536   0.649767 0.317845  1.10729  0.428542  
1 1 1 52 48 0  o 1.30172  0.53358   3.34194      1.36428  3.34194      1.36428  3.34194      1.36428  1.58902  0.346918  ?        ?         
1 1 1 52 48 1  o 2.79346  0.194135  9.03298      1.08462  7.38486      1.58536  10.4832      1.48711  2.18089  0.363466  2.85837  0.260133  
1 1 1 52 48 2  o 0.727134 0.327742  0.534513     1.00631  3.33547      1.50604  -1.72464     1.35256  1.18519  0.453626  0.575187 0.287048  
1 1 1 52 48 3  o 2.93869  0.182873  9.87926      1.07481  10.7693      1.48243  8.89289      1.56061  2.89802  0.255766  2.50309  0.311736  
1 1 1 52 48 4  o 1.03612  0.364905  1.93687      0.942327 0.884972     1.31132  3.0601       1.35506  0.780883 0.360034  1.15486  0.433473  
1 1 1 52 48 5  o 0.567657 0.275554  -0.544624    0.984767 -0.495792    1.45554  -0.585845    1.3373   0.6497   0.320024  0.627428 0.308595  
1 1 1 52 48 6  o 0.939223 0.360986  1.78397      0.956979 1.765        1.41315  1.80004      1.30059  0.840266 0.382322  0.859785 0.380813  
1 1 1 52 48 7  o 0.491469 0.244762  -1.28016     0.95885  0.335164     1.39282  -2.73537     1.32199  0.688188 0.332632  0.494704 0.251951  
1 1 1 52 49 0  o 0.521128 0.364279  0.0159452    1.32801  0.0159452    1.32801  0.0159452    1.32801  0.467353 0.321923  ?        ?         
1 1 1 52 49 1  o 1.28061  0.375811  3.05218      1.02475  2.50411      1.40015  3.68441      1.50383  0.951168 0.408667  1.12647  0.447539  
1 1 1 53 0  0  o 3.49197  0.181763  12.3121      1.26157  12.3121      1.26157  12.3121      1.26157  3.5005   0.127806  ?        ?         
1 1 1 53 0  1  o 6.05725  0.102639  36.7409      1.24261  36.7409      1.24261  36.7409      1.24261  6.05935  0.0725278 ?        ?         
1 1 1 53 0  2  o 1.95265  0.19094   3.92779      0.729313 3.92779      0.729313 3.92779      0.729313 1.96777  0.132413  ?        ?         
1 1 1 53 0  3  o 1.78169  0.208468  3.30958      0.71977  3.30958      0.71977  3.30958      0.71977  1.8014   0.143355  ?        ?         
1 1 1 53 0  4  o 2.30242  0.154095  5.3785       0.702289 5.3785       0.702289 5.3785       0.702289 2.31093  0.107982  ?        ?         
1 1 1 53 0  5  o 5.39976  0.0989645 29.202       1.06796  29.202       1.06796  29.202       1.06796  5.40183  0.069925  ?        ?         
1 1 1 53 0  6  o 0.472289 0.311491  -0.0883487   0.72522  -0.0883487   0.72522  -0.0883487   0.72522  0.391359 0.259549  ?        ?         
1 1 1 53 0  7  o 8.70948  0.112159  75.9471      1.95296  75.9471      1.95296  75.9471      1.95296  8.71211  0.0792695 ?        ?         
1 1 1 53 0  8  o 0.778495 0.406723  0.896919     0.820389 0.896919     0.820389 0.896919     0.820389 0.785491 0.350357  ?        ?         
1 1 1 53 0  9  o 1.78616  0.233227  3.36101      0.801378 3.36101      0.801378 3.36101      0.801378 1.81116  0.159268  ?        ?         
1 1 1 53 0  10 o 12.1615  0.138332  148.156      3.36368  148.156      3.36368  148.156      3.36368  12.1667  0.0977596 ?        ?         
1 1 1 53 0  11 o 3.89665  0.113261  15.2365      0.880992 15.2365      0.880992 15.2365      0.880992 3.90003  0.0799414 ?        ?         
1 1 1 53 0  12 o 1.80983  0.211698  3.41882      0.742478 3.41882      0.742478 3.41882      0.742478 1.83036  0.145534  ?        ?         
1 1 1 53 0  13 o 1.8948   0.210735  3.73473      0.776079 3.73473      0.776079 3.73473      0.776079 1.9145   0.145242  ?        ?         
1 1 1 53 0  14 o 3.02326  0.144772  9.2206       0.870793 9.2206       0.870793 9.2206       0.870793 3.02995  0.101871  ?        ?         
1 1 1 53 0  15 o 7.27086  0.114846  52.9754      1.66911  52.9754      1.66911  52.9754      1.66911  7.27465  0.0811429 ?        ?         
1 1 1 53 0  16 o 2.13614  0.191106  4.68906      0.801428 4.68906      0.801428 4.68906      0.801428 2.15121  0.132877  ?        ?         
1 1 1 53 0  17 f 4.42507  0.126835  19.6671      1.12043  19.6671      1.12043  19.6671      1.12043  4.42993  0.0895038 ?        ?         
1 1 1 53 0  18 o 6.24503  0.115275  39.1109      1.43868  39.1109      1.43868  39.1109      1.43868  6.24948  0.0814222 ?        ?         
1 1 1 53 0  19 o 2.75932  0.170047  7.73237      0.930262 7.73237      0.930262 7.73237      0.930262 2.77017  0.119231  ?        ?         
1 1 1 53 0  20 o 2.25371  0.203647  5.23549      0.900687 5.23549      0.900687 5.23549      0.900687 2.27134  0.141457  ?        ?         
1 1 1 53 0  21 o 0.879514 0.436349  1.18168      0.918219 1.18168      0.918219 1.18168      0.918219 0.915385 0.366858  ?        ?         
1 1 1 53 0  22 o 2.82838  0.185534  8.15287      1.03916  8.15287      1.03916  8.15287      1.03916  2.84201  0.129892  ?        ?         
1 1 1 53 0  23 o 4.28723  0.15179   18.5339      1.29782  18.5339      1.29782  18.5339      1.29782  4.29616  0.106954  ?        ?         
1 1 1 53 0  24 o 0.730515 0.426428  0.71794      1.01612  0.71794      1.01612  0.71794      1.01612  0.692986 0.375288  ?        ?         
1 1 1 53 0  25 o 7.30139  0.134801  53.6277      1.96695  53.6277      1.96695  53.6277      1.96695  7.31222  0.0951405 ?        ?         
1 1 1 53 0  26 o 1.84868  0.361361  3.89032      1.18874  3.89032      1.18874  3.89032      1.18874  1.92004  0.225994  ?        ?         
1 1 1 53 0  27 o 2.77039  0.208947  7.91334      1.14259  7.91334      1.14259  7.91334      1.14259  2.79208  0.145586  ?        ?         
1 1 1 53 0  28 o 2.42547  0.250228  6.20032      1.18425  6.20032      1.18425  6.20032      1.18425  2.45887  0.17222   ?        ?         
1 1 1 53 0  29 o 3.34799  0.19089   11.4806      1.26869  11.4806      1.26869  11.4806      1.26869  3.36836  0.133643  ?        ?         
1 1 1 53 0  30 o 0.479327 0.336427  -0.911281    1.15595  -0.911281    1.15595  -0.911281    1.15595  0.377156 0.269     ?        ?         
1 1 1 53 0  31 o 0.410184 0.296888  -1.62337     1.13718  -1.62337     1.13718  -1.62337     1.13718  0.311955 0.229192  ?        ?         
1 1 1 53 0  32 o 0.684868 0.422965  0.585872     1.11107  0.585872     1.11107  0.585872     1.11107  0.636165 0.373359  ?        ?         
1 1 1 53 0  33 o 1.05759  0.501336  1.92878      1.19536  1.92878      1.19536  1.92878      1.19536  1.17309  0.401791  ?        ?         
1 1 1 53 0  34 o 0.566395 0.379309  -0.028559    1.1532   -0.028559    1.1532   -0.028559    1.1532   0.486524 0.324082  ?        ?         
1 1 1 53 0  35 o 0.637706 0.414116  0.432764     1.22285  0.432764     1.22285  0.432764     1.22285  0.58355  0.366039  ?        ?         
1 1 1 53 0  36 o 0.594351 0.403113  0.0599184    1.3745   0.0599184    1.3745   0.0599184    1.3745   0.523442 0.349956  ?        ?         
1 1 1 53 0  37 o 0.593459 0.412838  -0.0341804   1.66409  -0.0341804   1.66409  -0.0341804   1.66409  0.528676 0.363051  ?        ?         
1 1 1 53 0  38 o 0.820214 0.513571  1.92317      1.6928   1.92317      1.6928   1.92317      1.6928   0.905529 0.486121  ?        ?         
1 1 1 53 1  0  o 5.7694   0.101118  33.3344      1.16597  33.3344      1.16597  33.3344      1.16597  5.7715   0.0714502 ?        ?         
1 1 1 53 1  1  o 12.065   0.0934445 145.697      2.25481  145.999      3.29591  145.431      3.09145  12.0712  0.136519  12.0491  0.128285  
1 1 1 53 1  2  f 10.729   0.0842605 115.197      1.80805  115.865      2.5451   114.517      2.56901  10.7561  0.11831   10.6931  0.120124  
1 1 1 53 1  3  o 8.39688  0.0730355 70.5479      1.22654  72.1408      1.77005  69.0766      1.70118  8.48864  0.10426   8.30658  0.102399  
1 1 1 53 1  4  o 4.84236  0.0710609 23.4614      0.688205 22.8891      0.972516 24.0355      0.974025 4.78156  0.101695  4.89996  0.0993911 
1 1 1 53 1  5  o 3.72755  0.0830355 13.9054      0.619039 14.2809      0.912991 13.5858      0.842194 3.77592  0.120897  3.68319  0.114329  
1 1 1 53 1  6  o 5.47296  0.0715345 29.9709      0.783011 30.7452      1.14324  29.2868      1.07463  5.54142  0.103154  5.40863  0.0993444 
1 1 1 53 1  7  o 6.08555  0.0721131 37.0574      0.877696 36.6265      1.22835  37.5068      1.25456  6.04818  0.101547  6.12036  0.102491  
1 1 1 53 1  8  o 6.96074  0.0724799 48.4849      1.00903  47.7203      1.40257  49.3052      1.45271  6.90337  0.101586  7.01689  0.103515  
1 1 1 53 1  9  o 5.84313  0.0771562 34.1702      0.901667 35.3556      1.29016  33.0384      1.26065  5.94122  0.108577  5.74313  0.109753  
1 1 1 53 1  10 o 4.36069  0.0788708 19.0328      0.687863 19.3115      1.00131  18.7837      0.94657  4.39032  0.114036  4.33025  0.109298  
1 1 1 53 1  11 o 3.38927  0.0953823 11.5032      0.646553 10.6565      0.948267 12.2388      0.883855 3.25907  0.145481  3.49406  0.12648   
1 1 1 53 1  12 o 6.64135  0.0834333 44.1589      1.10822  43.7832      1.50472  44.6042      1.6383   6.60968  0.113827  6.67017  0.122808  
1 1 1 53 1  13 o 1.52625  0.17173   2.34192      0.524204 2.76708      0.740883 1.91572      0.741791 1.65591  0.223708  1.34926  0.283844  
1 1 1 53 1  14 o 4.12006  0.0835532 16.9983      0.688488 16.9149      0.963582 17.0852      0.984078 4.10721  0.117304  4.12766  0.119205  
1 1 1 53 1  15 o 10.4075  0.0956918 108.524      1.99183  108.635      2.93861  108.43       2.70912  10.4013  0.141261  10.3947  0.130313  
1 1 1 53 1  16 o 5.4327   0.080617  29.5578      0.875935 30.0931      1.25579  29.0506      1.22241  5.47757  0.11463   5.382    0.113564  
1 1 1 53 1  17 o 4.10141  0.090541  16.8567      0.742692 17.1439      1.02873  16.544       1.07334  4.13241  0.124471  4.05844  0.132235  
1 1 1 53 1  18 o 1.01739  0.285779  1.08926      0.605347 1.42642      0.847131 0.737434     0.865341 1.16407  0.341719  0.941074 0.347747  
1 1 1 53 1  19 o 4.62042  0.0900754 21.4016      0.832373 21.1441      1.18109  21.6558      1.17325  4.58654  0.128757  4.64215  0.126369  
1 1 1 53 1  20 o 0.786536 0.291651  0.504404     0.609735 0.149716     0.882959 0.827728     0.843018 0.79081  0.331448  0.959048 0.344393  
1 1 1 53 1  21 o 5.20742  0.0919991 27.1995      0.958156 26.2601      1.34098  28.1794      1.36954  5.10857  0.131248  5.29243  0.129387  
1 1 1 53 1  22 o 9.48678  0.100931  90.3578      1.91502  95.381       2.84273  86.1842      2.59121  9.72574  0.146145  9.24807  0.140095  
1 1 1 53 1  23 o 2.72013  0.136881  7.4577       0.744667 7.49047      1.03459  7.42248      1.07268  2.71595  0.190466  2.70183  0.198509  
1 1 1 53 1  24 o 5.93489  0.0955366 35.3852      1.134    34.2877      1.63463  36.4035      1.57449  5.82677  0.140269  6.0076   0.131042  
1 1 1 53 1  25 o 2.49087  0.161027  6.29612      0.802194 6.77678      1.11769  5.78545      1.15204  2.56866  0.217562  2.36549  0.24351   
1 1 1 53 1  26 o 1.64224  0.251985  2.80197      0.827643 3.33828      1.18017  2.28294      1.16099  1.73579  0.352222  1.41981  0.394784  
1 1 1 53 1  27 o 1.04426  0.334076  1.17147      0.787384 1.52223      1.06865  0.754907     1.16459  1.18064  0.389725  0.995059 0.394307  
1 1 1 53 1  28 o 1.77245  0.234285  3.27235      0.830514 3.49119      1.19125  3.0654       1.15848  1.76421  0.350059  1.64393  0.362113  
1 1 1 53 1  29 o 2.61631  0.160838  6.99826      0.841603 6.96818      1.18101  7.0293       1.19962  2.58218  0.228685  2.59214  0.231395  
1 1 1 53 1  30 f 0.985735 0.346713  1.02719      0.850464 1.65855      1.19929  0.388532     1.20621  1.20004  0.412708  0.9082   0.38433   
1 1 1 53 1  31 o 0.985809 0.342123  1.07236      0.825747 1.71048      1.17366  0.446881     1.16199  1.19327  0.408426  0.894125 0.377739  
1 1 1 53 1  32 o 0.680852 0.299598  -0.0183244   0.788563 0.150157     1.11898  -0.184547    1.11145  0.819399 0.358744  0.762138 0.343928  
1 1 1 53 1  33 o 1.54552  0.282443  2.76034      0.840604 3.28011      1.19613  2.25314      1.18159  1.60406  0.378501  1.29889  0.408517  
1 1 1 53 1  34 o 1.01022  0.344588  1.27082      0.835444 0.929216     1.16684  1.63013      1.19672  0.94221  0.386701  1.10464  0.408794  
1 1 1 53 1  35 o 0.905915 0.348368  1.03161      0.891512 0.286948     1.27789  1.73772      1.24436  0.811805 0.36743   1.07653  0.412249  
1 1 1 53 1  36 o 1.54641  0.339686  3.23925      1.02204  3.06718      1.46387  3.40289      1.42758  1.31162  0.455492  1.40989  0.449712  
1 1 1 53 1  37 o 1.03146  0.396766  1.9969       1.15661  2.17447      1.56688  1.7843       1.71445  0.994926 0.429964  0.929301 0.422373  
1 1 1 53 1  38 o 0.820049 0.3698    1.15965      1.2827   0.0158248    1.78926  2.36902      1.83981  0.732975 0.359361  0.929854 0.427819  
1 1 1 53 2  0  o 5.43752  0.107136  29.6196      1.16409  29.6196      1.16409  29.6196      1.16409  5.43996  0.0756892 ?        ?         
1 1 1 53 2  1  f 8.53748  0.0763312 72.9353      1.30335  74.5882      1.89318  71.4461      1.79701  8.63074  0.109677  8.44733  0.106366  
1 1 1 53 2  2  o 11.7772  0.0890498 138.825      2.09752  140.019      3.05395  137.759      2.88586  11.822   0.129164  11.7273  0.123041  
1 1 1 53 2  3  o 6.41024  0.0704725 41.1141      0.903491 40.9843      1.27928  41.2433      1.27618  6.3983   0.0999704 6.41852  0.0994141 
1 1 1 53 2  4  o 2.98747  0.0972241 8.93462      0.580908 9.38128      0.851166 8.54517      0.794785 3.05949  0.139103  2.92011  0.136088  
1 1 1 53 2  5  o 6.62589  0.0715019 43.929       0.947528 43.6918      1.35592  44.1554      1.32464  6.60584  0.102631  6.64103  0.0997314 
1 1 1 53 2  6  o 4.08004  0.0773235 16.659       0.630966 18.4457      0.979475 15.3917      0.824935 4.29138  0.114121  3.92053  0.105207  
1 1 1 53 2  7  o 5.53882  0.0714811 30.6991      0.791843 29.5396      1.17469  31.6647      1.07201  5.43088  0.108149  5.62379  0.0953103 
1 1 1 53 2  8  f 4.74278  0.0731613 22.5106      0.693977 22.0558      1.03653  22.8801      0.934278 4.69241  0.110447  4.78016  0.0977246 
1 1 1 53 2  9  o 3.08279  0.0960507 9.51626      0.592209 7.92137      0.896005 10.7534      0.789153 2.80931  0.159471  3.27579  0.120452  
1 1 1 53 2  10 o 0.698967 0.266674  0.34115      0.519117 0.215696     0.828019 0.422392     0.66633  0.792856 0.325637  0.785472 0.301415  
1 1 1 53 2  11 o 1.89018  0.147283  3.58546      0.556783 3.68854      0.865923 3.51281      0.726991 1.91248  0.226387  1.86842  0.194547  
1 1 1 53 2  12 o 2.43883  0.122591  5.96375      0.597957 6.5786       0.907068 5.49119      0.795209 2.55771  0.17732   2.3373   0.170113  
1 1 1 53 2  13 o 5.24174  0.0791068 27.5088      0.829315 27.7363      1.14753  27.26        1.19987  5.26054  0.10907   5.21451  0.115051  
1 1 1 53 2  14 o 4.2367   0.0831636 17.9749      0.704678 16.3774      0.962923 19.817       1.034    4.04109  0.119142  4.44553  0.116297  
1 1 1 53 2  15 o 10.0776  0.0930979 101.751      1.87642  103.245      2.65701  100.263      2.6503   10.1422  0.130989  9.99416  0.132593  
1 1 1 53 2  16 o 6.28271  0.0810747 39.5348      1.01874  40.6723      1.47272  38.4911      1.4107   6.36726  0.115648  6.19447  0.113868  
1 1 1 53 2  17 o 5.37749  0.0817813 28.97        0.879556 29.6825      1.24263  28.2546      1.24513  5.43861  0.114242  5.30566  0.11734   
1 1 1 53 2  18 o 1.30798  0.235592  1.79033      0.593817 1.39872      0.846725 2.16936      0.833012 1.15361  0.342491  1.42823  0.301041  
1 1 1 53 2  19 o 2.67772  0.121964  7.20437      0.653173 7.83086      0.932438 6.60076      0.915253 2.78574  0.167359  2.55593  0.179045  
1 1 1 53 2  20 o 0.586994 0.262157  -0.244588    0.630333 -0.561015    0.893513 0.0688991    0.889352 0.659457 0.301196  0.77457  0.329002  
1 1 1 53 2  21 o 5.42501  0.0921835 29.5216      1.00019  29.8354      1.44145  29.2304      1.38899  5.44471  0.132371  5.39013  0.128845  
1 1 1 53 2  22 o 5.78485  0.0941266 33.5827      1.08902  33.2094      1.50894  33.9885      1.57328  5.74295  0.131373  5.80867  0.135425  
1 1 1 53 2  23 o 3.61285  0.110727  13.1278      0.800077 11.707       1.12181  14.5986      1.1414   3.39995  0.164975  3.8008   0.150153  
1 1 1 53 2  24 o 5.3145   0.0982077 28.3851      1.04385  27.2113      1.46288  29.6026      1.48994  5.18975  0.140939  5.41429  0.137594  
1 1 1 53 2  25 o 2.14271  0.189284  4.68698      0.811162 3.05692      1.17843  6.15479      1.11825  1.65666  0.365474  2.44385  0.228788  
1 1 1 53 2  26 o 1.80229  0.218144  3.34625      0.78632  3.79149      1.12258  2.91737      1.10176  1.8947   0.296242  1.61849  0.350268  
1 1 1 53 2  27 f 2.55855  0.16753   6.68113      0.857266 7.27393      1.16193  5.97295      1.26998  2.65083  0.219163  2.38282  0.266486  
1 1 1 53 2  28 o 1.96892  0.203016  3.99908      0.799443 2.66915      1.13354  5.31524      1.12765  1.526    0.373847  2.25196  0.250372  
1 1 1 53 2  29 o 2.92569  0.151956  8.7334       0.889151 8.84694      1.2883   8.63012      1.22871  2.91244  0.221172  2.88071  0.213266  
1 1 1 53 2  30 o 1.82993  0.230016  3.53675      0.841828 3.32353      1.17931  3.75828      1.20206  1.68633  0.360227  1.80731  0.344918  
1 1 1 53 2  31 o 2.45244  0.181222  6.25867      0.888874 6.02212      1.26176  6.49173      1.25241  2.35174  0.268261  2.45103  0.255485  
1 1 1 53 2  32 o 1.76341  0.229586  3.34538      0.809712 3.34136      1.15982  3.34921      1.13094  1.65815  0.359834  1.6683   0.350116  
1 1 1 53 2  33 o 1.08601  0.342342  1.4699       0.829161 1.3974       1.15649  1.5466       1.18943  1.05839  0.399712  1.09609  0.407162  
1 1 1 53 2  34 o 1.28323  0.326322  2.06816      0.839654 3.06661      1.19696  1.10081      1.17816  1.50194  0.393685  0.972125 0.392314  
1 1 1 53 2  35 o 0.828595 0.342245  0.738589     0.92019  0.463307     1.34147  0.983233     1.26462  0.838877 0.37824   0.91243  0.390078  
1 1 1 53 2  36 o 0.532418 0.261833  -1.27044     0.962235 -2.16223     1.37186  -0.406825    1.35001  0.585117 0.291591  0.713693 0.340752  
1 1 1 53 2  37 f 0.821893 0.361925  1.01076      1.1525   -0.775908    1.51877  3.43628      1.7696   0.670535 0.329497  1.13408  0.471886  
1 1 1 53 2  38 o 0.957945 0.401289  2.27251      1.29314  3.58197      1.84504  1.00821      1.81295  1.00058  0.447648  0.762833 0.371379  
1 1 1 53 3  0  o 10.4845  0.138247  110.104      2.89778  110.104      2.89778  110.104      2.89778  10.4888  0.0976966 ?        ?         
1 1 1 53 3  1  o 6.25667  0.0714225 39.169       0.893734 37.6976      1.2618   40.6503      1.26607  6.13607  0.102818  6.37211  0.0993447 
1 1 1 53 3  2  o 5.97973  0.0684527 35.7768      0.818658 35.5019      1.15442  36.0549      1.16112  5.95506  0.096928  6.00128  0.0967394 
1 1 1 53 3  3  o 4.31706  0.0744011 18.6493      0.642387 18.8334      0.926899 18.4792      0.891103 4.33678  0.106865  4.29597  0.103714  
1 1 1 53 3  4  o 5.1707   0.0711263 26.7528      0.735546 26.6797      1.04161  26.8254      1.03883  5.16201  0.100892  5.17611  0.100348  
1 1 1 53 3  5  o 6.41032  0.0703289 41.1181      0.901662 39.7174      1.31336  42.3669      1.24008  6.2978   0.104271  6.50522  0.0953142 
1 1 1 53 3  6  o 9.21816  0.0781156 85.0437      1.44016  83.9733      2.04678  86.0933      2.02677  9.15606  0.111772  9.27125  0.109304  
1 1 1 53 3  7  o 8.56805  0.0774928 73.4729      1.32792  75.4297      1.92072  71.681       1.83795  8.67763  0.110671  8.45951  0.108632  
1 1 1 53 3  8  o 2.30545  0.109428  5.32431      0.504562 5.99019      0.737479 4.73832      0.691824 2.44344  0.15091   2.17276  0.159204  
1 1 1 53 3  9  o 1.16483  0.21491   1.40945      0.481867 0.585908     0.686538 2.20907      0.676498 0.846476 0.310113  1.48039  0.228486  
1 1 1 53 3  10 o 5.97398  0.0741703 35.7202      0.886184 34.7094      1.24211  36.7682      1.26471  5.88612  0.105512  6.05829  0.104378  
1 1 1 53 3  11 o 4.41583  0.078012  19.5203      0.688976 19.1267      0.963305 19.9325      0.985802 4.36874  0.11025   4.4598   0.110521  
1 1 1 53 3  12 o 2.9489   0.102177  8.71304      0.60262  8.51488      0.898329 8.87517      0.812575 2.91153  0.154271  2.97392  0.136617  
1 1 1 53 3  13 o 5.61461  0.0834779 31.5679      0.937391 31.5593      1.3275   31.5765      1.32385  5.60993  0.118317  5.6115   0.117958  
1 1 1 53 3  14 o 3.65915  0.0898195 13.4122      0.657326 13.0747      0.917921 13.7675      0.941736 3.60978  0.127143  3.70419  0.127118  
1 1 1 53 3  15 o 3.68259  0.0888966 13.5861      0.654739 12.9405      0.900115 14.3116      0.954125 3.59082  0.125336  3.77614  0.126336  
1 1 1 53 3  16 o 5.50335  0.0871698 30.3459      0.959451 30.2032      1.28896  30.5232      1.43678  5.48608  0.117476  5.51283  0.130312  
1 1 1 53 3  17 o 1.13945  0.277207  1.37877      0.626583 2.41235      0.879268 0.312321     0.893139 1.50888  0.302029  0.835529 0.339848  
1 1 1 53 3  18 o 5.7644   0.0826416 33.2979      0.952759 33.9494      1.36767  32.6837      1.32802  5.81427  0.117613  5.70511  0.116388  
1 1 1 53 3  19 o 6.01992  0.0845471 36.3269      1.01793  36.5086      1.4458   36.1483      1.43343  6.02745  0.119934  5.99774  0.119498  
1 1 1 53 3  20 o 0.672776 0.282917  0.0821841    0.646889 0.557029     0.923407 -0.375437    0.906506 0.9032   0.353043  0.69565  0.312435  
1 1 1 53 3  21 o 2.0771   0.165755  4.35968      0.688582 5.2659       0.958649 3.39382      0.989696 2.27547  0.210649  1.81656  0.27241   
1 1 1 53 3  22 o 2.89447  0.128889  8.43407      0.746129 7.86872      1.01278  9.10513      1.10341  2.78641  0.181736  2.99682  0.184096  
1 1 1 53 3  23 o 2.8182   0.133894  8.01342      0.754679 7.87989      1.06591  8.14764      1.06865  2.78186  0.191583  2.82944  0.188844  
1 1 1 53 3  24 o 1.68291  0.221557  2.90845      0.745722 1.48272      1.05453  4.33461      1.05469  1.17978  0.387143  2.04486  0.257887  
1 1 1 53 3  25 o 0.658729 0.293541  -0.241541    0.786375 -0.314377    1.16159  -0.179919    1.06844  0.796953 0.355904  0.785489 0.346881  
1 1 1 53 3  26 o 2.33964  0.170371  5.57885      0.797213 6.37167      1.12999  4.79318      1.12489  2.48196  0.22764   2.14092  0.262711  
1 1 1 53 3  27 o 2.03753  0.212463  4.29202      0.865798 5.08062      1.19737  3.4279       1.25339  2.19372  0.272909  1.73657  0.371668  
1 1 1 53 3  28 o 2.26103  0.184621  5.25023      0.834868 6.03229      1.16962  4.43788      1.19206  2.40029  0.243641  2.03875  0.292351  
1 1 1 53 3  29 o 2.82686  0.153811  8.16027      0.869606 6.91579      1.2622   9.2847       1.19979  2.56096  0.246432  2.99364  0.200389  
1 1 1 53 3  30 o 2.14863  0.195926  4.81676      0.841944 4.48791      1.16049  5.18222      1.22337  2.02625  0.286365  2.18116  0.28044   
1 1 1 53 3  31 o 2.47676  0.172931  6.36667      0.856616 5.41917      1.19661  7.36264      1.22683  2.22805  0.268532  2.62382  0.233788  
1 1 1 53 3  32 o 0.93538  0.337393  0.971195     0.809888 0.978442     1.14559  0.963954     1.14512  0.979815 0.390192  0.9765   0.389721  
1 1 1 53 3  33 o 0.532489 0.256712  -0.965609    0.814162 -1.27208     1.147    -0.654392    1.15584  0.623551 0.30147   0.691438 0.324737  
1 1 1 53 3  34 o 0.812325 0.328189  0.648468     0.82578  2.07638      1.17691  -0.73621     1.15896  1.19774  0.40899   0.669476 0.318355  
1 1 1 53 3  35 o 0.667951 0.305099  -0.0766616   0.917013 -1.31        1.28308  1.21107      1.31107  0.631938 0.308506  0.949527 0.401197  
1 1 1 53 3  36 o 0.690423 0.317983  0.106691     1.01928  -0.0462094   1.42489  0.266927     1.45867  0.742007 0.352916  0.777785 0.365203  
1 1 1 53 3  37 o 0.791288 0.350565  0.804644     1.10314  -0.414044    1.52305  2.14951      1.59995  0.702165 0.341423  0.981544 0.429358  
1 1 1 53 4  0  o 3.76779  0.121803  14.2537      0.915681 14.2537      0.915681 14.2537      0.915681 3.77161  0.0859373 ?        ?         
1 1 1 53 4  1  f 3.48916  0.0856302 12.1853      0.597555 13.0022      0.869366 11.4538      0.822702 3.60258  0.120659  3.38123  0.121657  
1 1 1 53 4  2  o 7.27917  0.0699032 53.019       1.01768  53.9848      1.44954  52.0802      1.42909  7.34291  0.0987036 7.21219  0.0990749 
1 1 1 53 4  3  o 12.4691  0.0943989 155.658      2.35415  158.065      3.41477  153.477      3.24988  12.5574  0.135966  12.3748  0.13131   
1 1 1 53 4  4  o 5.68206  0.0689015 32.3062      0.783005 32.093       1.13535  32.4996      1.0813   5.66129  0.100273  5.69743  0.0948932 
1 1 1 53 4  5  o 2.64033  0.0956188 6.98008      0.50493  7.46756      0.725797 6.52286      0.702911 2.72937  0.13296   2.55067  0.13779   
1 1 1 53 4  6  o 8.77763  0.0766086 77.1105      1.34488  77.6988      1.92684  76.5516      1.87801  8.80724  0.109389  8.74224  0.10741   
1 1 1 53 4  7  o 2.43759  0.103713  5.95119      0.505621 5.60731      0.73685  6.25719      0.695088 2.36376  0.155864  2.49788  0.139135  
1 1 1 53 4  8  o 4.21591  0.0732474 17.7884      0.617608 17.0523      0.862311 18.5636      0.884991 4.12599  0.104498  4.30505  0.102785  
1 1 1 53 4  9  o 2.3332   0.108457  5.45415      0.506104 5.15559      0.73403  5.7247       0.698751 2.26575  0.161984  2.38847  0.146276  
1 1 1 53 4  10 o 1.75353  0.142686  3.08573      0.500409 3.02645      0.724408 3.13983      0.692069 1.73308  0.208994  1.76606  0.195936  
1 1 1 53 4  11 o 1.95917  0.132343  3.85076      0.518564 3.81421      0.749955 3.88425      0.71782  1.94632  0.19266   1.96478  0.182671  
1 1 1 53 4  12 o 7.49821  0.0757027 56.2869      1.13527  56.7201      1.62837  55.8772      1.58359  7.52258  0.108232  7.46682  0.106042  
1 1 1 53 4  13 o 6.06608  0.0782652 36.8441      0.949525 36.3582      1.32239  37.3612      1.36425  6.02229  0.109791  6.10452  0.111741  
1 1 1 53 4  14 o 1.64967  0.172119  2.73937      0.567878 2.90434      0.844853 2.60341      0.766983 1.69256  0.249578  1.60337  0.239179  
1 1 1 53 4  15 o 5.62716  0.0890072 31.7265      1.00172  33.7064      1.37008  29.4524      1.4683   5.79582  0.118195  5.41484  0.135581  
1 1 1 53 4  16 o 1.06341  0.270872  1.19777      0.577824 1.45469      0.791442 0.904496     0.845575 1.17143  0.326029  0.987253 0.345863  
1 1 1 53 4  17 o 1.43081  0.206804  2.0731       0.591796 2.64539      0.805146 1.4006       0.872792 1.61177  0.249772  1.15603  0.348644  
1 1 1 53 4  18 o 5.00515  0.0896584 25.116       0.897508 25.2792      1.20349  24.9115      1.34717  5.01616  0.119961  4.97639  0.135356  
1 1 1 53 4  19 o 2.13071  0.154989  4.57905      0.660473 4.86867      0.935173 4.29081      0.93293  2.18856  0.21365   2.0524   0.227278  
1 1 1 53 4  20 o 1.59006  0.211165  2.56873      0.671533 2.58812      0.903866 2.54483      1.00328  1.55943  0.300531  1.53611  0.33581   
1 1 1 53 4  21 o 6.03382  0.0891361 36.5218      1.07566  37.7556      1.49779  35.2076      1.54578  6.12639  0.122241  5.91355  0.130698  
1 1 1 53 4  22 o 4.8384   0.0978943 23.5099      0.947303 22.9018      1.34207  24.1137      1.33732  4.76454  0.14084   4.89022  0.136734  
1 1 1 53 4  23 o 5.33102  0.0924153 28.5429      0.985336 27.9095      1.37323  29.2151      1.41465  5.26025  0.130529  5.38156  0.131435  
1 1 1 53 4  24 o 3.42122  0.124442  11.8086      0.851488 9.93762      1.20801  13.6561      1.2004   3.11893  0.193657  3.66727  0.163664  
1 1 1 53 4  25 o 2.18145  0.177892  4.85146      0.776125 3.93883      1.06435  5.8878       1.13419  1.93981  0.274344  2.38495  0.237781  
1 1 1 53 4  26 o 0.895629 0.328453  0.737236     0.770317 1.07718      1.0341   0.313432     1.15462  1.04877  0.380953  0.899229 0.378052  
1 1 1 53 4  27 o 3.04374  0.148334  9.41882      0.902982 9.32147      1.26849  9.51882      1.2857   3.00271  0.211224  3.03402  0.211882  
1 1 1 53 4  28 o 0.868368 0.329465  0.657796     0.78873  0.358578     1.0716   1.01153      1.16513  0.874214 0.365701  1.04221  0.398967  
1 1 1 53 4  29 o 1.0808   0.336264  1.31616      0.803478 -0.0205877   1.14107  2.63074      1.13157  0.818319 0.36024   1.49444  0.378104  
1 1 1 53 4  30 o 0.572087 0.269594  -0.746312    0.809968 -0.992812    1.13964  -0.494704    1.15139  0.672606 0.317874  0.738801 0.339297  
1 1 1 53 4  31 f 1.39446  0.302127  2.24335      0.818861 1.85409      1.13842  2.66065      1.17872  1.22237  0.402247  1.45881  0.39451   
1 1 1 53 4  32 o 0.742388 0.313661  0.285807     0.801307 0.482653     1.13266  0.0885702    1.13378  0.867952 0.370053  0.79909  0.354536  
1 1 1 53 4  33 o 0.631149 0.288593  -0.272401    0.822899 -0.432217    1.15815  -0.109457    1.16944  0.718064 0.333841  0.764748 0.347917  
1 1 1 53 4  34 o 0.676827 0.303971  0.0113651    0.857994 0.323907     1.24482  -0.271487    1.18422  0.818802 0.366973  0.724424 0.337098  
1 1 1 53 4  35 o 1.14583  0.369184  1.91665      0.960326 2.73218      1.40689  1.20518      1.31407  1.25851  0.445602  0.944056 0.400407  
1 1 1 53 4  36 o 1.16596  0.391348  2.34837      1.07757  3.64048      1.4713   0.85337      1.5826   1.34075  0.45729   0.839362 0.39024   
1 1 1 53 4  37 o 0.710281 0.331477  0.243555     1.15562  0.456723     1.56907  -0.00915258  1.7084   0.77459  0.369239  0.747698 0.362947  
1 1 1 53 5  0  o 2.49974  0.163343  6.33936      0.808632 6.33936      0.808632 6.33936      0.808632 2.50891  0.114495  ?        ?         
1 1 1 53 5  1  f 10.5538  0.0860945 111.493      1.81724  111.319      2.54867  111.673      2.59181  10.5404  0.1209    10.5568  0.122755  
1 1 1 53 5  2  o 14.3081  0.106559  205.039      3.04931  205.224      4.3144   204.855      4.31035  14.3035  0.150817  14.2906  0.150811  
1 1 1 53 5  3  o 3.38077  0.0847663 11.4409      0.57315  11.3682      0.832817 11.5064      0.789991 3.36812  0.123632  3.38892  0.116555  
1 1 1 53 5  4  o 6.91386  0.06845   47.8329      0.946507 48.6226      1.33094  47.0249      1.34631  6.96851  0.0954971 6.8528   0.0982309 
1 1 1 53 5  5  o 7.04954  0.0692858 49.7303      0.976865 50.3358      1.40511  49.1639      1.35904  7.08973  0.0990947 7.00693  0.096978  
1 1 1 53 5  6  o 8.39853  0.0753365 70.5946      1.26543  70.1805      1.79782  71.0013      1.78148  8.37016  0.107394  8.41918  0.105799  
1 1 1 53 5  7  o 7.38076  0.0704916 54.5173      1.04056  55.4044      1.50933  53.7138      1.43653  7.43745  0.101468  7.32348  0.0980769 
1 1 1 53 5  8  o 3.90054  0.0753081 15.2283      0.587485 15.0621      0.84878  15.3811      0.813972 3.87718  0.109458  3.91841  0.103865  
1 1 1 53 5  9  o 8.21361  0.0764217 67.5316      1.2554   65.0171      1.78351  70.0008      1.76739  8.05472  0.110712  8.35851  0.105724  
1 1 1 53 5  10 o 2.96329  0.0949702 8.79563      0.562848 8.70194      0.81958  8.87925      0.774322 2.94466  0.139164  2.97517  0.130131  
1 1 1 53 5  11 o 7.15154  0.0755771 51.2019      1.08099  50.3339      1.54925  52.0254      1.50903  7.08635  0.109312  7.20513  0.104719  
1 1 1 53 5  12 o 2.92764  0.0969622 8.58762      0.567741 8.48096      0.82117  8.68529      0.78581  2.90629  0.141275  2.94173  0.133563  
1 1 1 53 5  13 f 2.75744  0.105843  7.62202      0.583711 8.28192      0.844311 7.01785      0.807879 2.87113  0.147034  2.64246  0.152865  
1 1 1 53 5  14 o 1.66286  0.165159  2.78298      0.549272 1.55971      0.811648 3.81654      0.746065 1.2129   0.327081  1.94515  0.191776  
1 1 1 53 5  15 o 4.53751  0.0944007 20.6373      0.856687 22.0032      1.16762  19.0445      1.26082  4.68125  0.124712  4.35208  0.144853  
1 1 1 53 5  16 o 0.895179 0.28737   0.804046     0.582245 0.622591     0.800201 1.0082       0.848782 0.888015 0.333147  1.02101  0.347328  
1 1 1 53 5  17 o 4.1991   0.0881565 17.6747      0.740356 17.5731      1.04933  17.7754      1.04473  4.18186  0.125462  4.20606  0.124193  
1 1 1 53 5  18 o 0.735975 0.288291  0.346283     0.616421 0.440177     0.878339 0.255154     0.865308 0.859638 0.341871  0.808907 0.33267   
1 1 1 53 5  19 o 3.17581  0.117976  10.1362      0.749336 10.9897      1.03763  9.20599      1.08328  3.30033  0.157201  3.01658  0.179555  
1 1 1 53 5  20 o 2.02618  0.168885  4.14974      0.684384 4.15757      0.912532 4.13967      1.03466  2.01951  0.225929  2.00945  0.257449  
1 1 1 53 5  21 o 1.96451  0.1743    3.90641      0.684827 4.35109      0.969221 3.46306      0.967764 2.06296  0.234911  1.83523  0.263664  
1 1 1 53 5  22 o 2.6192   0.137204  6.92433      0.718729 6.77294      1.00206  7.08472      1.03145  2.57861  0.194302  2.63698  0.195575  
1 1 1 53 5  23 o 0.949339 0.315194  0.916163     0.698995 1.24479      0.995212 0.59622      0.981976 1.10275  0.376096  0.920866 0.362969  
1 1 1 53 5  24 o 2.16995  0.178266  4.79651      0.773659 4.73079      1.08911  4.86346      1.09919  2.1346   0.255109  2.16471  0.253889  
1 1 1 53 5  25 o 1.32105  0.286866  1.9013       0.736688 1.60698      1.03364  2.20514      1.05023  1.20807  0.382395  1.39883  0.369741  
1 1 1 53 5  26 o 0.701684 0.304724  -0.0240767   0.79433  -0.299839    1.08937  0.288994     1.16073  0.766166 0.343342  0.893512 0.37751   
1 1 1 53 5  27 o 1.99312  0.204681  4.10009      0.815906 3.88608      1.14924  4.31758      1.15855  1.90595  0.301486  2.01496  0.287488  
1 1 1 53 5  28 o 1.59014  0.25522   2.67321      0.811673 2.51768      1.10357  2.8565       1.19799  1.47171  0.374022  1.5631   0.38519   
1 1 1 53 5  29 o 0.835176 0.327128  0.569843     0.793657 1.68343      1.10266  -0.627204    1.14324  1.19915  0.39588   0.724265 0.334781  
1 1 1 53 5  30 o 0.71848  0.309535  0.109413     0.807285 0.524664     1.1534   -0.289371    1.1303   0.905767 0.379185  0.758763 0.344352  
1 1 1 53 5  31 o 1.16664  0.327579  1.61984      0.795528 2.03377      1.12586  1.2071       1.12423  1.26878  0.398712  1.04068  0.393783  
1 1 1 53 5  32 o 1.29751  0.315533  2.03561      0.812068 2.02378      1.12373  2.04855      1.17485  1.23545  0.399491  1.23656  0.408632  
1 1 1 53 5  33 o 0.770694 0.321253  0.437052     0.822415 -0.577287    1.15616  1.47601      1.17011  0.696557 0.326714  1.06501  0.402104  
1 1 1 53 5  34 o 1.45466  0.311479  2.69019      0.879933 2.5929       1.24863  2.78617      1.24023  1.29318  0.421269  1.35001  0.417327  
1 1 1 53 5  35 o 1.54508  0.338117  3.22848      1.01614  3.68621      1.40735  2.72997      1.4687   1.49428  0.441023  1.23007  0.453293  
1 1 1 53 5  36 o 0.765972 0.338541  0.672175     1.02052  -1.5412      1.40679  3.13073      1.48266  0.606712 0.301363  1.19176  0.451847  
1 1 1 53 5  37 o 1.23162  0.414744  3.0281       1.21026  2.27058      1.63552  3.94494      1.7993   0.949779 0.423283  1.15943  0.478716  
1 1 1 53 6  0  o 7.13685  0.104723  51.0072      1.49406  51.0072      1.49406  51.0072      1.49406  7.13939  0.0740061 ?        ?         
1 1 1 53 6  1  o 2.89834  0.0980947 8.41191      0.568624 7.88478      0.807635 8.93005      0.800721 2.80382  0.144024  2.98448  0.134148  
1 1 1 53 6  2  o 3.31849  0.0880539 11.0246      0.584411 10.9298      0.828301 11.1186      0.824675 3.30228  0.125414  3.33077  0.123796  
1 1 1 53 6  3  o 3.88678  0.0793413 15.1209      0.616764 13.2554      0.88673  16.8691      0.85843  3.63685  0.121909  4.10392  0.104587  
1 1 1 53 6  4  o 9.48448  0.078001  90.0364      1.4796   89.9095      2.0612   90.1713      2.1252   9.47368  0.108786  9.48696  0.112006  
1 1 1 53 6  5  o 2.16839  0.114681  4.7113       0.497345 5.09807      0.714691 4.34815      0.692535 2.25354  0.158571  2.0808   0.166411  
1 1 1 53 6  6  o 3.75148  0.076367  14.0865      0.572978 13.4928      0.821026 14.6503      0.800009 3.66959  0.111869  3.82423  0.104597  
1 1 1 53 6  7  f 2.55943  0.0973313 6.56094      0.498225 7.076        0.725881 6.10215      0.685081 2.65594  0.136652  2.46628  0.138889  
1 1 1 53 6  8  o 3.09601  0.0860657 9.59771      0.532921 9.36146      0.756726 9.83018      0.750638 3.05553  0.123829  3.13136  0.119858  
1 1 1 53 6  9  o 5.1536   0.0712197 26.5844      0.734075 27.3646      1.04629  25.828       1.03018  5.22628  0.100099  5.0773   0.101449  
1 1 1 53 6  10 o 10.134   0.0856157 102.846      1.73526  103.634      2.50366  102.117      2.40725  10.1651  0.12315   10.0913  0.119273  
1 1 1 53 6  11 o 5.19628  0.0767278 27.0338      0.797399 27.5303      1.15351  26.5793      1.10353  5.24049  0.110057  5.14952  0.107149  
1 1 1 53 6  12 o 2.42114  0.115089  5.87854      0.557295 5.66328      0.792061 6.08958      0.784266 2.37276  0.166907  2.46108  0.159334  
1 1 1 53 6  13 o 2.77445  0.106331  7.7177       0.59002  7.82104      0.857351 7.62472      0.813226 2.78902  0.153701  2.75437  0.147625  
1 1 1 53 6  14 o 4.99815  0.0821193 25.0243      0.820889 24.0191      1.09947  26.2903      1.23395  4.89312  0.112349  5.118    0.12055   
1 1 1 53 6  15 f 0.553846 0.249812  -0.291907    0.585676 0.00148958   0.862752 -0.542676    0.797619 0.75272  0.322009  0.619496 0.283623  
1 1 1 53 6  16 o 4.10123  0.0913706 16.8622      0.749464 16.2887      1.03246  17.5009      1.08966  4.02608  0.128221  4.17282  0.130567  
1 1 1 53 6  17 o 6.36512  0.0911439 40.6234      1.16028  40.1345      1.54539  41.255       1.75661  6.31973  0.122267  6.40331  0.137164  
1 1 1 53 6  18 o 1.50618  0.218133  2.30755      0.657097 2.32301      0.919191 2.2914       0.939699 1.4698   0.321531  1.45799  0.329917  
1 1 1 53 6  19 o 5.039    0.0953941 25.4743      0.961382 24.4825      1.23133  27.023       1.53865  4.93409  0.124778  5.17771  0.148584  
1 1 1 53 6  20 o 2.46659  0.132247  6.12619      0.652397 6.71707      0.912229 5.50756      0.933393 2.57576  0.17708   2.32834  0.200442  
1 1 1 53 6  21 o 2.06575  0.16426   4.31727      0.678641 4.26376      0.928872 4.37854      0.993914 2.04198  0.227444  2.06659  0.240471  
1 1 1 53 6  22 f 1.25824  0.288229  1.71053      0.710106 1.00064      1.01948  2.37952      0.98967  1.03884  0.378161  1.47263  0.342234  
1 1 1 53 6  23 o 0.568612 0.262736  -0.522491    0.703294 -0.569931    0.993946 -0.474924    0.995272 0.69463  0.317433  0.709464 0.322284  
1 1 1 53 6  24 o 5.10152  0.0985413 26.1785      1.00542  25.9677      1.40481  26.3999      1.43959  5.0663   0.138642  5.10731  0.140934  
1 1 1 53 6  25 o 1.7221   0.222007  3.06357      0.764636 3.23859      1.0183   2.83731      1.1578   1.75061  0.290842  1.58454  0.371418  
1 1 1 53 6  26 o 1.36349  0.307595  2.05996      0.818882 2.73497      1.12746  1.30632      1.19132  1.54885  0.368762  1.12905  0.409008  
1 1 1 53 6  27 o 1.23792  0.311994  1.71212      0.7727   1.40421      1.05886  2.06287      1.13014  1.13645  0.387937  1.33617  0.395473  
1 1 1 53 6  28 o 2.39586  0.179851  5.90639      0.861794 6.16845      1.21452  5.64064      1.22305  2.41606  0.251343  2.30322  0.265508  
1 1 1 53 6  29 o 1.42098  0.295774  2.2815       0.812801 2.75648      1.11771  1.74841      1.18411  1.51991  0.370531  1.21073  0.410239  
1 1 1 53 6  30 o 1.98331  0.206404  4.14415      0.818728 6.55372      1.18749  1.96095      1.13033  2.4717   0.240218  1.26025  0.39998   
1 1 1 53 6  31 o 0.592967 0.276059  -0.507792    0.795396 0.1725       1.08506  -1.29794     1.16939  0.80701  0.353293  0.640078 0.308354  
1 1 1 53 6  32 o 0.693757 0.30395   0.0924432    0.804423 -0.223778    1.13024  0.417072     1.14516  0.740809 0.33852   0.846212 0.366661  
1 1 1 53 6  33 o 1.02691  0.342919  1.35059      0.82737  1.90045      1.17152  0.80343      1.16865  1.15949  0.407015  0.904728 0.380352  
1 1 1 53 6  34 o 0.71518  0.315352  0.246745     0.87849  0.945804     1.26354  -0.407359    1.22224  0.902287 0.387961  0.704138 0.331632  
1 1 1 53 6  35 o 1.16657  0.376971  2.12012      1.00073  2.78707      1.39357  1.41         1.43796  1.22823  0.44262   0.948002 0.410819  
1 1 1 53 6  36 o 0.652819 0.307304  -0.0823016   1.04688  0.936363     1.39163  -1.41028     1.58893  0.818063 0.374575  0.641856 0.31902   
1 1 1 53 6  37 o 0.863999 0.375168  1.64985      1.20376  1.09753      1.82317  2.07671      1.60278  0.768697 0.373704  0.867191 0.399124  
1 1 1 53 7  0  o 1.27072  0.319957  1.90066      0.702364 1.90066      0.702364 1.90066      0.702364 1.33471  0.1994    ?        ?         
1 1 1 53 7  1  o 3.69744  0.0832404 13.6853      0.615553 14.0465      0.905182 13.3746      0.839563 3.74371  0.120894  3.65346  0.1149    
1 1 1 53 7  2  o 2.37668  0.112292  5.65942      0.533765 5.27637      0.776515 6.00253      0.734918 2.292    0.169397  2.44578  0.150242  
1 1 1 53 7  3  o 0.975067 0.23814   0.997383     0.461041 1.60069      0.662717 0.431544     0.641806 1.23385  0.275584  0.779329 0.296755  
1 1 1 53 7  4  o 4.57029  0.0713251 20.9043      0.651952 21.0857      0.908253 20.7115      0.93639  4.58833  0.0989742 4.54714  0.102965  
1 1 1 53 7  5  o 3.85743  0.0750486 14.8934      0.578989 14.5181      0.816567 15.273       0.821082 3.80665  0.107255  3.90451  0.105145  
1 1 1 53 7  6  o 2.84022  0.0898761 8.07795      0.510536 7.68095      0.725408 8.4676       0.718654 2.76738  0.131064  2.90611  0.123645  
1 1 1 53 7  7  o 5.42803  0.0694504 29.4888      0.753958 30.6105      1.10623  28.5158      1.03033  5.52773  0.100062  5.33558  0.0965525 
1 1 1 53 7  8  o 0.94974  0.244983  0.946592     0.468253 1.15102      0.659443 0.7387       0.665012 1.05069  0.299292  0.892093 0.307272  
1 1 1 53 7  9  o 6.99283  0.0728338 48.9506      1.01863  48.4587      1.49368  49.3782      1.39273  6.95338  0.107407  7.0202   0.0991943 
1 1 1 53 7  10 o 3.6936   0.0803462 13.6606      0.593534 13.3636      0.839981 13.9568      0.838787 3.65074  0.115043  3.7311   0.112405  
1 1 1 53 7  11 o 3.21695  0.08878   10.3661      0.571203 10.1002      0.826295 10.6095      0.790498 3.17242  0.130231  3.25217  0.121534  
1 1 1 53 7  12 o 5.71958  0.0747031 32.7552      0.854541 34.0814      1.22961  31.5162      1.18845  5.83057  0.105445  5.60678  0.105983  
1 1 1 53 7  13 o 4.42016  0.0867832 19.5743      0.76719  19.3559      1.05657  19.8179      1.11579  4.39168  0.120292  4.44307  0.125566  
1 1 1 53 7  14 o 7.40956  0.0831616 55.0059      1.23238  53.381       1.70995  56.7621      1.77773  7.29261  0.117238  7.51979  0.118204  
1 1 1 53 7  15 o 1.41516  0.198083  2.02565      0.560639 1.29969      0.810412 2.69196      0.776408 1.11522  0.335877  1.62733  0.238553  
1 1 1 53 7  16 o 2.91257  0.111135  8.51591      0.647376 7.45363      0.942639 9.4642       0.890628 2.71726  0.173454  3.0662   0.145233  
1 1 1 53 7  17 f 5.11805  0.0954861 26.2766      0.977407 26.1581      1.34201  26.4105      1.42637  5.0992   0.13159   5.12191  0.139242  
1 1 1 53 7  18 o 2.8974   0.122738  8.44035      0.711243 8.99222      0.961568 7.77366      1.05687  2.98472  0.161082  2.76994  0.190775  
1 1 1 53 7  19 o 2.03367  0.159021  4.17552      0.646791 3.57654      0.860517 4.95333      0.980602 1.87242  0.229787  2.20492  0.222367  
1 1 1 53 7  20 o 3.04752  0.116129  9.33765      0.707813 9.64947      0.959109 8.96472      1.0489   3.09132  0.155129  2.97544  0.176261  
1 1 1 53 7  21 o 0.755253 0.302121  0.329414     0.69005  0.88653      0.971549 -0.237742    0.980264 0.997824 0.368519  0.746315 0.330575  
1 1 1 53 7  22 o 4.37203  0.0997166 19.2142      0.871928 18.5654      1.23096  19.8675      1.23523  4.28562  0.143616  4.43477  0.139267  
1 1 1 53 7  23 o 1.70892  0.21471   2.99874      0.733846 2.84972      1.0344   3.14975      1.04127  1.61135  0.332322  1.70201  0.317702  
1 1 1 53 7  24 o 1.10047  0.315143  1.32238      0.729267 1.79894      1.00892  0.800975     1.05532  1.27001  0.372961  0.984053 0.378898  
1 1 1 53 7  25 o 1.84786  0.213295  3.52553      0.788276 2.86615      1.03936  4.41839      1.20946  1.60485  0.33478   2.03905  0.296573  
1 1 1 53 7  26 o 1.54794  0.257644  2.51709      0.797635 1.65199      1.13678  3.35604      1.11947  1.21696  0.401957  1.73655  0.334254  
1 1 1 53 7  27 o 1.58226  0.257939  2.64804      0.816253 2.36128      1.15294  2.93622      1.15577  1.41912  0.393028  1.59535  0.369245  
1 1 1 53 7  28 f 0.549358 0.262372  -0.925364    0.80197  -1.08807     1.13507  -0.763179    1.13325  0.667709 0.316349  0.705783 0.328941  
1 1 1 53 7  29 o 1.10093  0.334217  1.40619      0.800297 1.22624      1.08948  1.61709      1.17945  1.05943  0.390412  1.16937  0.408589  
1 1 1 53 7  30 o 0.827446 0.326211  0.584076     0.793303 0.205814     1.09863  0.996164     1.14671  0.825498 0.35843   0.998551 0.392664  
1 1 1 53 7  31 o 0.915368 0.338756  0.912626     0.821793 1.04949      1.16312  0.7762       1.16127  0.992286 0.39379   0.933249 0.384861  
1 1 1 53 7  32 o 0.699095 0.305368  0.123966     0.806917 -1.46718     1.10806  1.92051      1.1774   0.592419 0.288758  1.18732  0.408867  
1 1 1 53 7  33 o 1.35351  0.318639  2.32204      0.849246 1.40346      1.20069  3.2416       1.20134  1.01858  0.4014    1.52365  0.392036  
1 1 1 53 7  34 o 0.838667 0.34368   0.806111     0.920258 0.958407     1.32389  0.663726     1.28009  0.904886 0.393191  0.853852 0.378042  
1 1 1 53 7  35 o 0.57977  0.279871  -0.69208     0.975448 -0.0652474   1.40737  -1.2716      1.35321  0.734249 0.349935  0.623914 0.307304  
1 1 1 53 7  36 o 0.711071 0.326103  0.30636      1.05944  0.461771     1.39722  0.096149     1.62499  0.76896  0.360402  0.755825 0.363962  
1 1 1 53 8  0  f 4.06958  0.109065  16.6129      0.886259 16.6129      0.886259 16.6129      0.886259 4.07274  0.076998  ?        ?         
1 1 1 53 8  1  o 3.07336  0.0944952 9.45918      0.580836 11.0796      0.906219 8.32937      0.756704 3.32357  0.136332  2.88202  0.13128   
1 1 1 53 8  2  o 5.42857  0.0702135 29.4931      0.762318 29.2826      1.07327  29.7075      1.08296  5.40695  0.0992486 5.44603  0.0994268 
1 1 1 53 8  3  o 2.7149   0.0922239 7.38112      0.500758 6.18872      0.712318 8.5462       0.70411  2.48344  0.143414  2.91983  0.120574  
1 1 1 53 8  4  o 5.79031  0.0667516 33.5532      0.773025 34.1053      1.11655  33.0449      1.0713   5.83539  0.0956705 5.74418  0.093251  
1 1 1 53 8  5  o 4.25489  0.0714115 18.1204      0.607697 16.8384      0.854725 19.4309      0.864179 4.09952  0.104247  4.40429  0.0981064 
1 1 1 53 8  6  o 2.75461  0.09357   7.59995      0.515497 7.84289      0.756264 7.38911      0.704528 2.79585  0.135248  2.71412  0.129789  
1 1 1 53 8  7  o 3.38904  0.0829122 11.5005      0.561985 11.1174      0.799257 11.8752      0.790353 3.32973  0.120018  3.44174  0.114819  
1 1 1 53 8  8  o 10.7928  0.0864701 116.658      1.86651  113.286      2.60775  120.199      2.67275  10.6278  0.122685  10.9474  0.122072  
1 1 1 53 8  9  o 1.12091  0.229049  1.31543      0.49574  0.820697     0.70201  1.80756      0.700159 0.930029 0.315873  1.31013  0.275877  
1 1 1 53 8  10 o 9.75896  0.0832508 95.3774      1.62488  94.5025      2.26056  96.3127      2.33722  9.7074   0.116435  9.79925  0.119255  
1 1 1 53 8  11 o 2.49221  0.106707  6.22711      0.531873 7.17039      0.761089 5.32673      0.74358  2.67165  0.142438  2.30121  0.161563  
1 1 1 53 8  12 o 0.973444 0.258399  0.997271     0.511574 1.54264      0.729472 0.469476     0.717623 1.20528  0.302765  0.815629 0.312855  
1 1 1 53 8  13 o 2.97805  0.102911  8.89398      0.61295  8.91083      0.876668 8.87786      0.857338 2.97653  0.147264  2.97136  0.144267  
1 1 1 53 8  14 o 4.47536  0.087135  20.0725      0.779921 18.5636      1.06142  21.8432      1.14982  4.29922  0.123444  4.66358  0.123277  
1 1 1 53 8  15 o 0.714654 0.273677  0.362298     0.548414 0.408052     0.801364 0.321993     0.752125 0.825774 0.327131  0.783911 0.314654  
1 1 1 53 8  16 o 0.803436 0.287336  0.57137      0.586294 0.823653     0.856201 0.348634     0.804501 0.96164  0.346901  0.809776 0.325263  
1 1 1 53 8  17 o 4.15537  0.105777  17.3369      0.879086 17.7956      1.2614   16.9037      1.22579  4.20133  0.150119  4.0948   0.149677  
1 1 1 53 8  18 o 1.6463   0.186742  2.74459      0.614868 2.61481      0.83564  2.89781      0.907964 1.59716  0.261602  1.67999  0.270229  
1 1 1 53 8  19 o 2.4798   0.129311  6.19018      0.641332 5.83793      0.882463 6.5845       0.933663 2.40011  0.183838  2.54908  0.183137  
1 1 1 53 8  20 o 1.99947  0.170138  4.04813      0.680371 3.6576       0.928615 4.50074      0.999692 1.88771  0.245964  2.09562  0.23852   
1 1 1 53 8  21 o 4.64421  0.0968632 21.6707      0.899707 21.606       1.27759  21.7344      1.26723  4.6261   0.138085  4.64031  0.136546  
1 1 1 53 8  22 o 2.44413  0.146339  6.04547      0.715346 5.08357      0.986612 7.11162      1.0387   2.22409  0.221802  2.63814  0.196862  
1 1 1 53 8  23 o 2.72002  0.143047  7.48928      0.778183 8.06904      1.10203  6.91268      1.09901  2.80828  0.196211  2.59443  0.211802  
1 1 1 53 8  24 o 2.85597  0.136837  8.25706      0.781603 7.69044      1.03932  8.99468      1.18582  2.7408   0.189601  2.96013  0.200299  
1 1 1 53 8  25 o 0.905224 0.330037  0.770447     0.776781 0.814376     1.03982  0.714975     1.16847  0.976243 0.37606   0.983252 0.393219  
1 1 1 53 8  26 o 1.16175  0.326445  1.5064       0.789746 2.2325       1.08969  0.703049     1.14619  1.39333  0.380446  0.973369 0.389374  
1 1 1 53 8  27 o 1.25688  0.32384   1.78772      0.818902 1.88985      1.15418  1.6842       1.16207  1.27496  0.404129  1.21595  0.406403  
1 1 1 53 8  28 o 1.40979  0.302362  2.24782      0.827921 2.78252      1.15708  1.68686      1.18514  1.52776  0.37983   1.20042  0.410418  
1 1 1 53 8  29 o 1.58054  0.255573  2.69896      0.807885 2.79424      1.10789  2.59077      1.18062  1.52416  0.367241  1.44788  0.396295  
1 1 1 53 8  30 o 3.14063  0.138507  10.1286      0.870002 9.45256      1.19091  10.9023      1.27403  2.99257  0.198977  3.21457  0.198166  
1 1 1 53 8  31 f 0.817664 0.330092  0.575911     0.834485 -0.395266    1.13924  1.70027      1.22579  0.724596 0.334652  1.14132  0.414743  
1 1 1 53 8  32 o 1.06248  0.337449  1.42034      0.804431 1.10481      1.11248  1.76613      1.16459  0.974659 0.385649  1.1404   0.405254  
1 1 1 53 8  33 o 0.788765 0.326316  0.591828     0.838632 -0.0454297   1.16059  1.28813      1.21317  0.743395 0.341089  0.979255 0.396898  
1 1 1 53 8  34 o 0.696701 0.315436  0.0878639    0.942577 0.690043     1.34949  -0.485757    1.31711  0.859258 0.383673  0.710353 0.338541  
1 1 1 53 8  35 o 0.844769 0.353488  1.05909      1.00166  0.632932     1.39233  1.51628      1.44212  0.796636 0.368701  0.915728 0.403879  
1 1 1 53 8  36 o 0.872449 0.371824  1.33055      1.14272  1.76708      1.57885  0.850291     1.65602  0.911044 0.410585  0.809333 0.382816  
1 1 1 53 9  0  o 3.74849  0.114519  14.1065      0.856733 14.1065      0.856733 14.1065      0.856733 3.75218  0.0808112 ?        ?         
1 1 1 53 9  1  o 2.12749  0.131235  4.53985      0.558402 4.47032      0.84201  4.59445      0.746065 2.10693  0.19982   2.13775  0.174498  
1 1 1 53 9  2  o 11.5166  0.0915833 132.828      2.10945  132.929      3.09017  132.739      2.88665  11.5111  0.134226  11.5052  0.12545   
1 1 1 53 9  3  o 5.31175  0.0679809 28.238       0.722195 27.7719      1.01806  28.7102      1.02465  5.26548  0.0966729 5.35378  0.0956939 
1 1 1 53 9  4  o 4.88906  0.0679417 23.9231      0.664342 24.4418      0.960079 23.4465      0.92023  4.93959  0.097182  4.83815  0.0951014 
1 1 1 53 9  5  o 8.16482  0.076424  66.7376      1.24798  67.0774      1.80095  66.4236      1.73094  8.18075  0.110073  8.14141  0.106305  
1 1 1 53 9  6  o 3.33687  0.0828728 11.1496      0.553072 12.3927      0.822748 10.1248      0.747044 3.51565  0.117012  3.17768  0.117545  
1 1 1 53 9  7  o 3.88189  0.0768826 15.087       0.5969   14.2068      0.851803 15.9361      0.836689 3.76438  0.11314   3.98763  0.104911  
1 1 1 53 9  8  o 11.3201  0.0900761 128.36       2.03935  127.918      2.88212  128.804      2.88603  11.2912  0.127627  11.3303  0.127359  
1 1 1 53 9  9  o 5.52357  0.0799083 30.5515      0.882758 29.1312      1.25632  31.9365      1.24065  5.38957  0.116551  5.64401  0.109908  
1 1 1 53 9  10 o 4.13128  0.0784772 17.0913      0.648422 16.1712      0.907065 18.0529      0.927283 4.01556  0.112944  4.24315  0.109268  
1 1 1 53 9  11 o 4.65871  0.0778795 21.7355      0.725635 23.9806      1.05373  19.7107      1.00073  4.89011  0.107741  4.43282  0.112877  
1 1 1 53 9  12 o 3.68685  0.0913394 13.6229      0.673509 12.676       0.961493 14.5351      0.943728 3.55179  0.135353  3.80481  0.124018  
1 1 1 53 9  13 o 3.17591  0.102679  10.1166      0.6522   10.7634      0.951026 9.54228      0.896122 3.27105  0.14537   3.0799   0.145479  
1 1 1 53 9  14 f 3.94963  0.0879533 15.6359      0.694766 15.0908      0.970961 16.2078      0.994558 3.87557  0.125267  4.01666  0.123804  
1 1 1 53 9  15 o 2.24095  0.129422  5.04892      0.580055 4.97785      0.834891 5.11523      0.806489 2.21833  0.18818   2.24993  0.179226  
1 1 1 53 9  16 f 5.69161  0.0924169 32.4926      1.052    30.9471      1.48248  34.0604      1.49309  5.54535  0.133669  5.81905  0.128293  
1 1 1 53 9  17 o 4.03516  0.107737  16.3502      0.869473 17.0296      1.1716   15.5173      1.29721  4.11164  0.142474  3.91985  0.165467  
1 1 1 53 9  18 o 2.96734  0.115832  8.85069      0.687424 9.18104      0.992132 8.54566      0.953356 3.01428  0.164572  2.90823  0.163907  
1 1 1 53 9  19 o 3.51058  0.106608  12.3805      0.748511 11.9537      1.05972  12.8054      1.05739  3.44086  0.153991  3.56254  0.148404  
1 1 1 53 9  20 o 3.11217  0.120788  9.75571      0.751824 9.71001      1.04843  9.80409      1.0787   3.09432  0.169412  3.10821  0.173524  
1 1 1 53 9  21 o 0.606519 0.268673  -0.180342    0.647676 -0.45917     0.895976 0.124816     0.937328 0.671602 0.305272  0.797929 0.338288  
1 1 1 53 9  22 o 1.69247  0.206112  2.93502      0.697676 2.46184      0.966815 3.44914      1.00779  1.49541  0.332002  1.81701  0.277321  
1 1 1 53 9  23 o 3.05746  0.128444  9.44396      0.785425 8.53887      1.07763  10.4696      1.14714  2.89074  0.186394  3.20356  0.179042  
1 1 1 53 9  24 o 1.96874  0.193963  3.97791      0.763722 4.44562      1.01343  3.36316      1.16185  2.06548  0.245325  1.73794  0.346541  
1 1 1 53 9  25 o 1.03735  0.329551  1.16645      0.767181 1.52168      1.04162  0.745249     1.1342   1.1734   0.384764  0.981008 0.389007  
1 1 1 53 9  26 o 1.96738  0.202497  4.00244      0.796778 3.28319      1.0981   4.80215      1.1579   1.71258  0.332465  2.12702  0.272188  
1 1 1 53 9  27 o 1.00743  0.337279  1.09837      0.800381 0.921281     1.11399  1.28732      1.15073  1.00504  0.388807  1.10339  0.401756  
1 1 1 53 9  28 o 3.5011   0.131027  12.4978      0.917475 13.693       1.2947   11.2922      1.30033  3.63498  0.178089  3.28757  0.197765  
1 1 1 53 9  29 o 0.643714 0.28974   -0.211495    0.783763 0.423851     1.0991   -0.868832    1.11796  0.869774 0.367409  0.675753 0.317944  
1 1 1 53 9  30 o 2.00745  0.211116  4.30056      0.847608 5.62873      1.12737  2.57351      1.28555  2.26973  0.248348  1.39503  0.42361   
1 1 1 53 9  31 f 2.17195  0.20188   5.06872      0.876947 4.74115      1.21387  5.42633      1.2683   2.0169   0.300925  2.16595  0.29278   
1 1 1 53 9  32 o 1.70761  0.245176  3.28137      0.837331 3.71343      1.14231  2.77962      1.23099  1.7105   0.346004  1.40008  0.412224  
1 1 1 53 9  33 o 2.01347  0.226422  4.60679      0.911786 5.13978      1.2725   4.04442      1.30711  2.01747  0.315372  1.67395  0.396107  
1 1 1 53 9  34 o 1.02891  0.36786   1.59941      0.960885 1.11842      1.38232  2.04912      1.33662  0.911438 0.398887  1.08546  0.424656  
1 1 1 53 9  35 o 0.714712 0.326074  0.370656     1.04316  2.37699      1.40416  -2.10055     1.55837  1.04657  0.425977  0.60058  0.30053   
1 1 1 53 9  36 o 0.835216 0.368284  1.32894      1.19819  2.34867      1.60557  0.0472329    1.80004  0.934394 0.417825  0.72177  0.355518  
1 1 1 53 10 0  o 1.61714  0.236998  2.79022      0.717722 2.79022      0.717722 2.79022      0.717722 1.64638  0.157435  ?        ?         
1 1 1 53 10 1  o 2.62847  0.100212  6.92181      0.52681  6.30046      0.769985 7.46864      0.722338 2.50453  0.153718  2.72841  0.132374  
1 1 1 53 10 2  o 7.65218  0.0756459 58.6191      1.15771  57.9818      1.68622  59.1874      1.59231  7.60576  0.110852  7.68555  0.103591  
1 1 1 53 10 3  o 2.09231  0.115694  4.389        0.484135 4.12919      0.684628 4.64886      0.684713 2.02651  0.168918  2.15091  0.159168  
1 1 1 53 10 4  f 6.56917  0.0732665 43.1995      0.962601 42.8192      1.37574  43.5642      1.34735  6.53656  0.105235  6.59359  0.102171  
1 1 1 53 10 5  o 4.37204  0.0727443 19.1349      0.636082 18.5806      0.923983 19.6342      0.876967 4.30559  0.1073    4.42673  0.0990536 
1 1 1 53 10 6  o 2.46442  0.100344  6.08583      0.49458  6.06668      0.723774 6.1026       0.677411 2.45766  0.147249  2.46562  0.137371  
1 1 1 53 10 7  o 5.64785  0.0702055 31.9311      0.79302  31.6146      1.15831  32.2104      1.08799  5.61649  0.103117  5.67     0.095943  
1 1 1 53 10 8  o 6.20827  0.075285  38.59        0.934779 37.7869      1.29655  39.4594      1.34896  6.13972  0.105587  6.27385  0.107506  
1 1 1 53 10 9  o 4.80765  0.0729728 23.1417      0.701656 22.5197      0.993862 23.7599      0.990727 4.73954  0.104848  4.86866  0.101745  
1 1 1 53 10 10 f 8.1419   0.0826969 66.4012      1.34662  67.7656      1.87641  64.9522      1.9337   8.21895  0.114151  8.04514  0.120178  
1 1 1 53 10 11 o 7.70819  0.0864571 59.5334      1.33286  57.8409      1.83959  61.4037      1.93383  7.59073  0.121173  7.8204   0.12364   
1 1 1 53 10 12 o 4.92007  0.0831419 24.2543      0.818127 24.3761      1.17364  24.1391      1.14106  4.92744  0.119093  4.90388  0.116342  
1 1 1 53 10 13 o 2.86457  0.106651  8.23359      0.611017 8.94592      0.894556 7.6106       0.836571 2.98104  0.150041  2.74932  0.152142  
1 1 1 53 10 14 o 3.07473  0.0987515 9.48315      0.607268 9.9024       0.865191 9.07605      0.852561 3.13728  0.137889  3.00298  0.141952  
1 1 1 53 10 15 o 2.65022  0.121328  7.05933      0.64309  5.67014      0.931894 8.32239      0.888584 2.36529  0.196993  2.87293  0.154648  
1 1 1 53 10 16 o 1.81482  0.178946  3.33146      0.649506 3.09054      0.937191 3.55412      0.900961 1.73523  0.270048  1.86564  0.241462  
1 1 1 53 10 17 o 1.56696  0.196497  2.49061      0.615805 2.6759       0.894882 2.32395      0.848711 1.58731  0.292885  1.47569  0.297999  
1 1 1 53 10 18 o 1.0124   0.29386   1.084        0.629907 0.605771     0.937266 1.47793      0.850665 0.917897 0.356318  1.17476  0.341657  
1 1 1 53 10 19 o 1.44462  0.229263  2.13594      0.662395 2.56083      0.975682 1.77267      0.902169 1.53688  0.327179  1.27568  0.345211  
1 1 1 53 10 20 f 2.61515  0.13215   6.89936      0.691182 6.30243      0.946541 7.58125      1.01166  2.48786  0.190232  2.72987  0.185296  
1 1 1 53 10 21 o 2.14404  0.159786  4.66286      0.685178 3.22405      0.939946 6.29432      1.0009   1.76051  0.266953  2.48052  0.201752  
1 1 1 53 10 22 o 0.803245 0.309727  0.487084     0.705709 0.663        0.991539 0.30649      1.00464  0.935999 0.365841  0.856945 0.355998  
1 1 1 53 10 23 o 0.993416 0.321194  1.04121      0.726426 0.742999     0.947073 1.46737      1.13217  0.941892 0.359951  1.17371  0.401142  
1 1 1 53 10 24 o 2.13564  0.177929  4.6685       0.759985 5.31693      1.03337  3.9046       1.12161  2.26248  0.22837   1.91603  0.292691  
1 1 1 53 10 25 o 1.02378  0.326779  1.1331       0.753676 1.54775      1.03789  0.670535     1.09621  1.18027  0.384077  0.954137 0.381149  
1 1 1 53 10 26 o 1.62908  0.244421  2.79295      0.796362 3.84582      1.102    1.64213      1.15212  1.89208  0.291214  1.20424  0.40466   
1 1 1 53 10 27 f 3.93135  0.12079   15.6862      0.949737 16.0495      1.28226  15.2448      1.41358  3.95369  0.16216   3.83888  0.184114  
1 1 1 53 10 28 o 3.39608  0.131783  11.7753      0.895093 10.5709      1.23785  13.0952      1.29585  3.17967  0.194651  3.5483   0.182601  
1 1 1 53 10 29 o 0.870566 0.333052  0.725928     0.811524 0.523049     1.15392  0.924467     1.14151  0.897976 0.377751  0.980286 0.389773  
1 1 1 53 10 30 o 2.58576  0.171038  7.0001       0.884529 6.66363      1.16283  7.4621       1.36261  2.47322  0.235085  2.59061  0.26299   
1 1 1 53 10 31 o 0.853097 0.332527  0.751771     0.818027 1.14754      1.12003  0.299287     1.19759  0.989467 0.388394  0.834965 0.368181  
1 1 1 53 10 32 o 1.77138  0.25905   3.62269      0.917749 2.5842       1.2428   4.86818      1.36104  1.31656  0.419564  1.91808  0.367916  
1 1 1 53 10 33 o 1.07245  0.354502  1.62834      0.884208 1.12838      1.19116  2.24194      1.3196   0.928282 0.386761  1.16428  0.429589  
1 1 1 53 10 34 o 0.676582 0.311321  0.0783692    0.97451  0.0716075    1.35021  0.0857214    1.40793  0.742174 0.349259  0.751753 0.354606  
1 1 1 53 10 35 o 0.767568 0.343654  0.669954     1.08913  -0.365353    1.43848  2.06075      1.66725  0.693176 0.33556   0.960734 0.427789  
1 1 1 53 10 36 o 0.978653 0.392212  2.23912      1.16603  3.21073      1.51485  0.82648      1.82658  1.03402  0.433795  0.742074 0.363592  
1 1 1 53 11 0  o 1.07099  0.364213  1.49709      0.697741 1.49709      0.697741 1.49709      0.697741 1.15177  0.243586  ?        ?         
1 1 1 53 11 1  o 3.73802  0.0777868 13.9897      0.581537 14.3501      0.839237 13.6567      0.806572 3.78353  0.110906  3.69112  0.109258  
1 1 1 53 11 2  o 3.19697  0.0857413 10.2357      0.548225 10.49        0.774726 9.98064      0.775889 3.23419  0.119771  3.15445  0.122983  
1 1 1 53 11 3  o 6.58605  0.0721722 43.4218      0.950659 43.7489      1.33997  43.0903      1.34895  6.60745  0.101398  6.55734  0.102858  
1 1 1 53 11 4  o 7.20522  0.073587  51.9729      1.06042  49.8792      1.45397  54.352       1.54995  7.05488  0.103047  7.36406  0.105237  
1 1 1 53 11 5  o 3.50262  0.0799907 12.2847      0.560354 12.9642      0.826795 11.7075      0.762075 3.59565  0.114971  3.41722  0.111505  
1 1 1 53 11 6  o 5.80223  0.0730795 33.7043      0.848048 34.422       1.30368  33.1778      1.11658  5.85934  0.111248  5.75427  0.0970219 
1 1 1 53 11 7  o 1.99757  0.122851  4.00371      0.490808 3.8313       0.681761 4.1892       0.707149 1.95079  0.17474   2.03998  0.173323  
1 1 1 53 11 8  o 5.56269  0.0725467 30.9816      0.80711  31.9875      1.15155  30.0102      1.13157  5.64892  0.101926  5.47135  0.103408  
1 1 1 53 11 9  f 5.08834  0.0765735 25.9287      0.779264 24.5572      1.05426  27.5805      1.15698  4.9486   0.106521  5.24384  0.110318  
1 1 1 53 11 10 o 4.70632  0.0850042 22.1919      0.800113 21.4781      1.0634   23.1234      1.2147   4.62639  0.114927  4.79855  0.12657   
1 1 1 53 11 11 o 5.62408  0.0816037 31.6896      0.917891 32.7061      1.28353  30.6256      1.31317  5.70885  0.112416  5.52314  0.118878  
1 1 1 53 11 12 o 3.16425  0.0975073 10.0407      0.617075 10.3144      0.890795 9.78818      0.85562  3.20249  0.139078  3.11997  0.13712   
1 1 1 53 11 13 o 1.84263  0.155803  3.42112      0.574174 3.24638      0.839975 3.57438      0.786654 1.78623  0.235125  1.87763  0.209481  
1 1 1 53 11 14 f 2.84958  0.105833  8.15084      0.60316  6.95053      0.849153 9.37313      0.856893 2.62468  0.161763  3.0513   0.140414  
1 1 1 53 11 15 o 1.58591  0.188969  2.54749      0.599374 1.72521      0.889644 3.23096      0.81108  1.26514  0.343006  1.78081  0.227727  
1 1 1 53 11 16 o 2.85726  0.122785  8.20837      0.701656 8.45772      1.05259  8.00897      0.941295 2.8908   0.182058  2.8157   0.167151  
1 1 1 53 11 17 o 3.30551  0.113971  10.9825      0.753463 11.7163      1.04914  10.2009      1.08277  3.40698  0.153969  3.1757   0.170478  
1 1 1 53 11 18 o 2.20009  0.145826  4.88271      0.641659 4.64302      0.929953 5.10052      0.886493 2.13382  0.217908  2.24028  0.197853  
1 1 1 53 11 19 o 3.39431  0.108405  11.5888      0.735922 12.6652      1.06255  10.5965      1.02024  3.53912  0.150115  3.23536  0.15767   
1 1 1 53 11 20 f 2.12919  0.159721  4.59469      0.680154 5.45856      0.941652 3.65237      0.983478 2.31103  0.20373   1.87723  0.261949  
1 1 1 53 11 21 o 1.28876  0.266529  1.78742      0.663681 1.24818      0.90602  2.41182      0.974939 1.08907  0.358848  1.47829  0.337105  
1 1 1 53 11 22 o 2.13727  0.176604  4.6565       0.754903 5.15819      1.00636  4.01095      1.14157  2.23586  0.225049  1.95095  0.292568  
1 1 1 53 11 23 o 0.661709 0.288055  -0.0518805   0.713014 0.615381     0.949316 -0.915473    1.07998  0.907124 0.357094  0.676981 0.317215  
1 1 1 53 11 24 o 2.46074  0.159825  6.17202      0.786574 5.77481      1.07507  6.6296       1.15388  2.35724  0.228035  2.52551  0.228444  
1 1 1 53 11 25 o 1.09093  0.330881  1.31977      0.784635 0.943602     1.05911  1.77739      1.16817  1.0092   0.382108  1.24977  0.407469  
1 1 1 53 11 26 o 3.2315   0.131415  10.6039      0.849338 11.7809      1.16667  9.27685      1.23887  3.38757  0.172199  2.98875  0.207255  
1 1 1 53 11 27 o 2.35789  0.174269  5.74653      0.821815 5.44423      1.1027   6.12423      1.23256  2.25979  0.243983  2.38798  0.258076  
1 1 1 53 11 28 o 2.24442  0.18599   5.25431      0.834877 6.38903      1.16873  4.07189      1.19304  2.44208  0.239289  1.90492  0.313146  
1 1 1 53 11 29 o 1.82196  0.228024  3.56766      0.830898 3.14981      1.16773  3.99618      1.18255  1.59917  0.371818  1.84051  0.333521  
1 1 1 53 11 30 f 1.49464  0.289448  2.61386      0.834361 2.74924      1.10329  2.433        1.27522  1.46072  0.375613  1.32812  0.425179  
1 1 1 53 11 31 o 1.99704  0.214581  4.34549      0.857055 4.55525      1.2128   4.13624      1.21132  1.95929  0.3095    1.81972  0.345334  
1 1 1 53 11 32 o 0.777881 0.327913  0.521123     0.872524 0.751549     1.23833  0.293943     1.22958  0.878696 0.381018  0.804588 0.362487  
1 1 1 53 11 33 o 1.15753  0.352164  1.90416      0.887909 1.17967      1.23046  2.69129      1.28255  0.932618 0.391095  1.27706  0.426951  
1 1 1 53 11 34 f 0.854106 0.361213  1.10032      1.06438  1.0652       1.38357  1.15125      1.66599  0.852968 0.384387  0.869394 0.402733  
1 1 1 53 11 35 o 0.757658 0.341992  0.641511     1.09966  1.35161      1.46367  -0.278752    1.66625  0.867611 0.392932  0.721673 0.352178  
1 1 1 53 12 0  o 1.27271  0.326641  1.92026      0.717444 1.92026      0.717444 1.92026      0.717444 1.33949  0.203474  ?        ?         
1 1 1 53 12 1  o 6.75414  0.0716806 45.6673      0.968281 45.6226      1.37868  45.7107      1.36022  6.74716  0.102168  6.75388  0.100699  
1 1 1 53 12 2  o 1.63468  0.148506  2.68455      0.485522 2.33483      0.679579 3.04918      0.693908 1.52013  0.223527  1.739    0.199514  
1 1 1 53 12 3  o 3.33456  0.0808905 11.1347      0.539468 11.1222      0.730963 11.1496      0.799478 3.33079  0.109728  3.33407  0.119895  
1 1 1 53 12 4  o 2.84867  0.0862635 8.12799      0.491473 7.75157      0.673883 8.55571      0.718342 2.77979  0.121211  2.92028  0.122992  
1 1 1 53 12 5  f 6.08781  0.0725918 37.1048      0.883849 36.7241      1.28126  37.4504      1.22083  6.05256  0.105844  6.11294  0.0998566 
1 1 1 53 12 6  o 7.12598  0.0769009 50.8487      1.09599  49.6376      1.55049  52.0582      1.54944  7.03561  0.110189  7.20559  0.107516  
1 1 1 53 12 7  o 2.3502   0.110653  5.53968      0.520113 6.03326      0.717137 4.99194      0.755461 2.44998  0.146355  2.22659  0.169645  
1 1 1 53 12 8  o 7.17874  0.0753002 51.6084      1.08112  52.2394      1.514    50.9518      1.54432  7.21767  0.104882  7.1275   0.108335  
1 1 1 53 12 9  o 3.94766  0.0838725 15.6137      0.662201 15.542       0.907181 15.6954      0.968845 3.93533  0.115261  3.9538   0.122521  
1 1 1 53 12 10 o 3.37307  0.0915541 11.4046      0.617637 11.1033      0.855631 11.7325      0.892474 3.32443  0.128688  3.41709  0.13059   
1 1 1 53 12 11 o 4.86945  0.0788787 23.7553      0.768192 25.1857      1.09459  22.367       1.07837  5.00973  0.109246  4.7203   0.114227  
1 1 1 53 12 12 o 4.62289  0.0836773 21.4179      0.773662 21.8945      1.0561   20.8659      1.13657  4.66977  0.113078  4.55679  0.124712  
1 1 1 53 12 13 o 1.96471  0.147179  3.88804      0.578329 3.88607      0.819205 3.89         0.816563 1.95687  0.209315  1.95797  0.208523  
1 1 1 53 12 14 o 0.826266 0.286262  0.640642     0.577897 0.902615     0.87086  0.434509     0.772493 0.987395 0.350485  0.820174 0.322361  
1 1 1 53 12 15 o 3.02782  0.117834  9.21322      0.713563 8.55932      1.06268  9.75014      0.962941 2.90815  0.182706  3.10908  0.154859  
1 1 1 53 12 16 o 2.1275   0.150767  4.56601      0.641515 3.57701      0.917058 5.51377      0.89773  1.86966  0.245247  2.33148  0.192524  
1 1 1 53 12 17 o 2.0332   0.151897  4.17221      0.617674 4.16334      0.8984   4.18016      0.850603 2.02029  0.222344  2.02654  0.209866  
1 1 1 53 12 18 o 0.838121 0.293226  0.66183      0.607613 0.177028     0.848386 1.17239      0.870635 0.778223 0.32546   1.06709  0.351771  
1 1 1 53 12 19 o 1.88674  0.172032  3.61334      0.649161 3.57588      0.910366 3.6521       0.925936 1.86293  0.244337  1.88231  0.245957  
1 1 1 53 12 20 o 1.67307  0.204325  2.86565      0.683703 3.03649      0.970459 2.69728      0.963384 1.67774  0.30005   1.57328  0.317296  
1 1 1 53 12 21 o 1.57886  0.234902  2.57552      0.741756 3.17363      0.987016 1.7994       1.12435  1.7397   0.283674  1.27435  0.398044  
1 1 1 53 12 22 o 1.15093  0.305326  1.45541      0.714533 1.16173      0.931566 1.87512      1.11364  1.05991  0.363812  1.29188  0.394667  
1 1 1 53 12 23 o 2.60358  0.145488  6.88545      0.757576 7.02118      1.03669  6.7299       1.10979  2.61188  0.198458  2.54981  0.217621  
1 1 1 53 12 24 o 1.79674  0.214342  3.3418       0.770233 3.10444      1.06454  3.60257      1.11582  1.67022  0.330438  1.83412  0.304185  
1 1 1 53 12 25 o 0.881934 0.326045  0.727082     0.760882 1.53009      1.03118  -0.232665    1.12734  1.166    0.382832  0.783688 0.350282  
1 1 1 53 12 26 o 2.04326  0.195848  4.33404      0.800337 4.88591      1.07782  3.65575      1.19491  2.14451  0.251297  1.78715  0.346679  
1 1 1 53 12 27 o 0.891081 0.330792  0.785957     0.784818 0.0707196    1.05313  1.67928      1.17696  0.795536 0.348165  1.18681  0.408781  
1 1 1 53 12 28 o 1.21671  0.321855  1.73935      0.795417 1.90328      1.11694  1.57067      1.13301  1.23988  0.39802   1.14415  0.400399  
1 1 1 53 12 29 o 1.71995  0.243709  3.23004      0.838333 3.31569      1.12891  3.12473      1.25175  1.64795  0.352747  1.55723  0.399883  
1 1 1 53 12 30 o 0.923138 0.334746  0.987738     0.798157 1.07429      1.0984   0.890906     1.1618   0.972898 0.383755  0.93986  0.385822  
1 1 1 53 12 31 o 1.61198  0.260817  2.97667      0.840859 2.56194      1.16186  3.43279      1.21847  1.34881  0.401348  1.59217  0.386079  
1 1 1 53 12 32 o 1.07565  0.359759  1.64136      0.910625 1.58513      1.24032  1.70712      1.34122  1.02809  0.407075  1.04894  0.420536  
1 1 1 53 12 33 o 0.587707 0.282731  -0.741558    0.974713 -1.19577     1.30032  -0.15902     1.4726   0.633489 0.309541  0.760047 0.360206  
1 1 1 53 12 34 o 0.734723 0.334274  0.473827     1.07983  3.11977      1.46546  -2.6694      1.59725  1.18173  0.448874  0.580932 0.292994  
1 1 1 53 12 35 o 2.14736  0.2743    6.22321      1.17804  6.16779      1.59591  6.28956      1.74622  1.75246  0.452379  1.64311  0.492666  
1 1 1 53 13 0  o 4.879    0.105411  23.8672      1.02752  23.8672      1.02752  23.8672      1.02752  4.88221  0.0744484 ?        ?         
1 1 1 53 13 1  o 1.31854  0.188088  1.75221      0.496004 2.04652      0.695653 1.44788      0.707407 1.39874  0.258387  1.16953  0.300783  
1 1 1 53 13 2  o 5.32859  0.0693648 28.4245      0.739233 29.1018      1.05216  27.7642      1.03883  5.38888  0.0976232 5.26345  0.0986837 
1 1 1 53 13 3  o 1.44348  0.164163  2.09641      0.47393  1.91917      0.633731 2.32133      0.713882 1.35628  0.242369  1.51407  0.23575   
1 1 1 53 13 4  o 2.27599  0.104394  5.19328      0.475201 4.53363      0.640717 5.99977      0.708446 2.12362  0.150855  2.44348  0.144967  
1 1 1 53 13 5  o 6.01796  0.0721322 36.261       0.868177 36.1287      1.21805  36.3977      1.23776  6.00331  0.101449  6.02543  0.102711  
1 1 1 53 13 6  o 3.00389  0.0868614 9.04037      0.521845 9.15233      0.692779 8.8935       0.793416 3.02034  0.114685  2.97562  0.133319  
1 1 1 53 13 7  o 1.70368  0.14435   2.91838      0.491854 2.72394      0.672635 3.14183      0.72106  1.64149  0.204886  1.76295  0.204504  
1 1 1 53 13 8  o 3.19582  0.0920472 10.2372      0.588332 9.51108      0.778052 11.2066      0.899061 3.07728  0.126419  3.33936  0.134616  
1 1 1 53 13 9  o 1.12982  0.22984   1.34133      0.501315 1.15714      0.679188 1.56178      0.743038 1.05055  0.305206  1.21041  0.30648   
1 1 1 53 13 10 o 1.64872  0.154661  2.73772      0.509988 2.89096      0.710282 2.57464      0.732704 1.68922  0.21024   1.59208  0.230109  
1 1 1 53 13 11 o 6.77853  0.0822535 46.0458      1.11511  48.0688      1.61637  44.2085      1.54039  6.91829  0.116819  6.63486  0.116083  
1 1 1 53 13 12 o 3.75934  0.0884475 14.1695      0.665009 14.5025      0.966346 13.8699      0.916558 3.79787  0.127222  3.71471  0.123369  
1 1 1 53 13 13 o 6.48818  0.0922761 42.226       1.19741  43.0807      1.80193  41.5502      1.60236  6.54111  0.137739  6.42785  0.124642  
1 1 1 53 13 14 o 3.24521  0.108052  10.5754      0.701299 10.3778      1.06231  10.728       0.933672 3.2056   0.165696  3.26331  0.143056  
1 1 1 53 13 15 o 3.0533   0.111063  9.36618      0.678216 9.93334      1.00119  8.88519      0.921987 3.13657  0.159599  2.96722  0.155362  
1 1 1 53 13 16 f 1.2717   0.241681  1.70609      0.592491 2.00502      0.869544 1.44702      0.809492 1.36156  0.323642  1.16161  0.331825  
1 1 1 53 13 17 o 4.57452  0.0910619 21.003       0.83313  21.4611      1.15811  20.5116      1.19942  4.61653  0.125431  4.51132  0.132935  
1 1 1 53 13 18 o 1.46161  0.21554   2.18621      0.630072 1.99007      0.890201 2.38309      0.891913 1.34819  0.331925  1.48296  0.310705  
1 1 1 53 13 19 o 2.77996  0.126558  7.79553      0.703655 7.30703      0.987705 8.29897      1.0027   2.67841  0.184383  2.85688  0.175489  
1 1 1 53 13 20 o 0.578098 0.262944  -0.362821    0.667155 -0.651467    0.95748  -0.0904394   0.930113 0.66644  0.307413  0.749294 0.327569  
1 1 1 53 13 21 o 0.56145  0.261768  -0.604855    0.718491 -0.450634    0.93837  -0.823389    1.11702  0.687438 0.312454  0.706018 0.328093  
1 1 1 53 13 22 o 0.81325  0.30839   0.545316     0.690753 0.504821     0.929109 0.59536      1.03285  0.87369  0.350123  0.924821 0.36976   
1 1 1 53 13 23 o 2.24357  0.166208  5.13859      0.745797 5.64999      1.02778  4.56985      1.08389  2.33463  0.220117  2.08518  0.259902  
1 1 1 53 13 24 o 1.90059  0.201358  3.73024      0.765397 3.23645      1.05821  4.27198      1.1084   1.70723  0.321705  2.00615  0.276251  
1 1 1 53 13 25 o 1.22523  0.309352  1.68753      0.758644 2.77404      1.01793  0.329996     1.13783  1.56462  0.335004  0.885231 0.373877  
1 1 1 53 13 26 o 2.14347  0.180908  4.75765      0.77554  5.74728      1.07023  3.66332      1.12541  2.33159  0.229506  1.79375  0.325713  
1 1 1 53 13 27 o 0.678532 0.297516  -0.0166318   0.771991 0.737636     1.06835  -0.840841    1.11678  0.932068 0.374642  0.679953 0.319318  
1 1 1 53 13 28 f 1.59068  0.244497  2.74059      0.777832 2.62684      1.04496  2.88193      1.16482  1.46944  0.358294  1.52243  0.382681  
1 1 1 53 13 29 o 2.63955  0.164233  7.28094      0.867002 7.04725      1.1974   7.53848      1.25702  2.53856  0.235843  2.62183  0.239723  
1 1 1 53 13 30 o 0.673435 0.298398  0.0126581    0.799663 -0.472037    1.11678  0.522654     1.14556  0.700031 0.326369  0.860758 0.36973   
1 1 1 53 13 31 o 1.1479   0.353845  1.78467      0.892465 0.702686     1.18077  3.22646      1.36303  0.871129 0.374815  1.45319  0.435175  
1 1 1 53 13 32 o 0.666381 0.300865  0.0332486    0.851585 1.27861      1.1585   -1.43067     1.25605  0.956956 0.387855  0.615189 0.301446  
1 1 1 53 13 33 o 1.38288  0.361136  2.90163      1.00958  4.39219      1.33379  0.901928     1.54489  1.64422  0.407209  0.852298 0.392093  
1 1 1 53 13 34 o 0.82162  0.352945  0.988405     1.04404  0.598949     1.44753  1.41067      1.50728  0.786263 0.368211  0.885202 0.399933  
1 1 1 53 13 35 o 1.03988  0.409031  2.65302      1.24463  0.587239     1.65563  5.33766      1.88739  0.720886 0.35166   1.21702  0.494364  
1 1 1 53 14 0  o 1.18785  0.347059  1.74326      0.715178 1.74326      0.715178 1.74326      0.715178 1.26386  0.22005   ?        ?         
1 1 1 53 14 1  o 5.00209  0.0720619 25.0522      0.72092  25.1928      1.0358   24.92        1.00401  5.01282  0.103316  4.98592  0.100684  
1 1 1 53 14 2  o 0.831719 0.260435  0.69836      0.480929 -0.332312    0.663677 1.83802      0.697885 0.589361 0.265874  1.32012  0.273536  
1 1 1 53 14 3  o 9.76832  0.0865175 95.5969      1.69026  96.0037      2.36748  95.1739      2.41397  9.78048  0.121031  9.73726  0.123956  
1 1 1 53 14 4  o 1.75979  0.140831  3.11244      0.495663 4.03371      0.691276 2.1376       0.711092 2.00087  0.172743  1.42877  0.258319  
1 1 1 53 14 5  o 3.24326  0.0851291 10.5388      0.552192 10.1971      0.742937 10.9605      0.825388 3.18764  0.116534  3.30394  0.12491   
1 1 1 53 14 6  f 1.77129  0.135725  3.15329      0.480816 3.06528      0.644886 3.26346      0.7215   1.74272  0.185023  1.7967   0.200785  
1 1 1 53 14 7  o 2.70648  0.0962977 7.34417      0.521255 7.41842      0.703596 7.25384      0.77605  2.71732  0.129465  2.68547  0.144491  
1 1 1 53 14 8  o 3.12979  0.0865724 9.81699      0.541907 9.26273      0.719506 10.5435      0.823778 3.03731  0.118445  3.23951  0.127145  
1 1 1 53 14 9  o 3.23322  0.0908996 10.4799      0.587797 9.85028      0.853927 11.0468      0.810328 3.12973  0.136422  3.31621  0.122177  
1 1 1 53 14 10 o 2.51563  0.111412  6.3532       0.56054  6.57871      0.828572 6.1629       0.761159 2.55421  0.162197  2.4732   0.153881  
1 1 1 53 14 11 o 5.90254  0.0834544 34.9212      0.985185 34.0619      1.48758  35.5925      1.31487  5.82018  0.127795  5.95366  0.110425  
1 1 1 53 14 12 o 1.49381  0.174995  2.25612      0.52282  2.01409      0.792402 2.4427       0.695749 1.37209  0.297141  1.54882  0.224606  
1 1 1 53 14 13 o 6.18379  0.0975537 38.3697      1.2065   40.2232      1.89494  37.1061      1.56462  6.31652  0.149999  6.07328  0.128812  
1 1 1 53 14 14 o 1.61233  0.183787  2.63244      0.592653 3.02912      0.879277 2.30218      0.802281 1.71944  0.255687  1.4727   0.28246   
1 1 1 53 14 15 o 3.70936  0.0978288 13.8117      0.725764 14.7634      1.01168  12.8025      1.04175  3.82902  0.132107  3.5629   0.146194  
1 1 1 53 14 16 o 3.82451  0.0962917 14.684       0.736538 15.8058      1.03101  13.5147      1.05257  3.96144  0.130131  3.66022  0.143785  
1 1 1 53 14 17 o 1.54465  0.200385  2.43371      0.619049 2.79877      0.894654 2.09836      0.857465 1.64307  0.272251  1.3891   0.315718  
1 1 1 53 14 18 o 1.24392  0.265584  1.66166      0.641316 2.3819       0.927195 1.00104      0.88799  1.47728  0.322722  1.0114   0.35442   
1 1 1 53 14 19 o 3.03919  0.119771  9.31293      0.728011 9.294        1.0032   9.33398      1.05812  3.02468  0.165836  3.02858  0.174688  
1 1 1 53 14 20 o 1.82587  0.199174  3.41438      0.727335 3.29316      0.993713 3.55425      1.06746  1.7725   0.280313  1.83836  0.290329  
1 1 1 53 14 21 o 2.18995  0.167268  4.88492      0.732618 5.53191      1.03286  4.2298       1.03933  2.31397  0.223179  2.01249  0.258221  
1 1 1 53 14 22 o 1.00902  0.309837  1.1046       0.685166 1.38054      0.919339 0.759831     1.02762  1.12232  0.361181  0.960072 0.373013  
1 1 1 53 14 23 o 2.37746  0.167282  5.77351      0.795415 6.35362      1.10546  5.15077      1.14537  2.4737   0.223443  2.2134   0.258736  
1 1 1 53 14 24 o 2.23616  0.168974  5.12534      0.755708 4.38507      1.01151  6.06054      1.13691  2.04007  0.24791   2.40387  0.236475  
1 1 1 53 14 25 o 0.613702 0.278531  -0.311466    0.739668 -0.568264    1.00782  -0.0116448   1.08898  0.685218 0.315815  0.802626 0.352633  
1 1 1 53 14 26 o 1.08884  0.323207  1.36536      0.754105 1.07514      1.0232   1.71045      1.11572  1.01259  0.377343  1.19598  0.398217  
1 1 1 53 14 27 o 2.51918  0.160769  6.55648      0.810011 6.90422      1.10779  6.15696      1.18741  2.55139  0.217096  2.38821  0.248597  
1 1 1 53 14 28 o 1.29938  0.303352  1.98345      0.774774 2.21971      1.03559  1.68309      1.16764  1.32969  0.373878  1.15678  0.406315  
1 1 1 53 14 29 f 0.942718 0.336497  1.0446       0.803734 0.660851     1.09998  1.48417      1.17726  0.884108 0.37022   1.07811  0.404159  
1 1 1 53 14 30 o 0.968273 0.338353  1.15656      0.808821 1.70226      1.08496  0.473914     1.21349  1.12096  0.391862  0.858019 0.374636  
1 1 1 53 14 31 o 0.948875 0.359769  1.19711      0.93998  0.953366     1.23225  1.53632      1.45369  0.909233 0.386765  1.02353  0.426906  
1 1 1 53 14 32 o 0.848751 0.340161  0.887782     0.877108 0.498256     1.16882  1.38989      1.32702  0.805574 0.358456  0.97032  0.406494  
1 1 1 53 14 33 o 0.79443  0.353451  0.769867     1.13607  -1.25135     1.60094  2.82015      1.61241  0.662259 0.327427  1.10183  0.453791  
1 1 1 53 14 34 o 0.939808 0.377644  1.61766      1.08509  1.64704      1.45411  1.58074      1.63002  0.905419 0.401636  0.887762 0.40603   
1 1 1 53 15 0  o 0.690969 0.369707  0.705162     0.690445 0.705162     0.690445 0.705162     0.690445 0.689899 0.320914  ?        ?         
1 1 1 53 15 1  o 6.49746  0.0740055 42.278       0.961696 42.5228      1.36914  42.0395      1.35113  6.51152  0.105132  6.47456  0.104341  
1 1 1 53 15 2  o 2.65361  0.100972  7.06082      0.53588  7.59849      0.763505 6.5388       0.752317 2.74952  0.138843  2.54977  0.147527  
1 1 1 53 15 3  o 3.73673  0.0865019 13.9916      0.646469 12.8521      0.872357 15.3798      0.962812 3.57781  0.121912  3.91372  0.123005  
1 1 1 53 15 4  o 1.38308  0.167538  1.92781      0.463438 1.80634      0.621854 2.07955      0.695036 1.31267  0.245956  1.40833  0.25623   
1 1 1 53 15 5  o 6.73847  0.0764849 45.4821      1.03078  46.2166      1.51067  44.8422      1.41002  6.7865   0.1113    6.68601  0.105446  
1 1 1 53 15 6  o 3.0191   0.0902055 9.13642      0.544678 10.0944      0.75072  8.07159      0.791478 3.17079  0.118381  2.83312  0.139683  
1 1 1 53 15 7  o 5.01985  0.0775163 25.244       0.778241 27.2767      1.16212  23.5912      1.04792  5.21312  0.111461  4.84869  0.108062  
1 1 1 53 15 8  o 0.982825 0.233077  1.0209       0.451797 0.997952     0.588699 1.05378      0.704712 0.976652 0.28428   1.01163  0.314955  
1 1 1 53 15 9  o 8.102    0.0810315 65.7805      1.31303  61.6615      1.89062  69.6182      1.82494  7.83399  0.120668  8.32754  0.109573  
1 1 1 53 15 10 o 3.0948   0.0943545 9.60671      0.584016 9.4786       0.850619 9.72096      0.803262 3.06864  0.138598  3.10896  0.129185  
1 1 1 53 15 11 o 4.63741  0.0807744 21.5563      0.749167 21.4751      1.0795   21.6317      1.04054  4.62269  0.116761  4.64041  0.112117  
1 1 1 53 15 12 o 3.84307  0.0851915 14.8076      0.654793 16.5894      1.03063  13.6015      0.847918 4.06121  0.126887  3.67919  0.115232  
1 1 1 53 15 13 o 4.93612  0.0861044 24.4324      0.850043 25.0769      1.28571  23.932       1.13301  4.99222  0.128771  4.87974  0.116093  
1 1 1 53 15 14 o 3.18059  0.104579  10.16        0.665246 10.4004      0.965648 9.94287      0.917778 3.21057  0.150386  3.13994  0.146146  
1 1 1 53 15 15 o 3.9234   0.0906954 15.4446      0.711669 16.2176      1.03437  14.7498      0.98068  4.0134   0.128864  3.82763  0.128105  
1 1 1 53 15 16 o 4.59622  0.092603  21.2143      0.851248 20.5332      1.17233  21.974       1.23805  4.51282  0.129889  4.66766  0.13262   
1 1 1 53 15 17 o 2.56657  0.129747  6.64371      0.666007 7.51811      0.937123 5.75134      0.946702 2.72144  0.172174  2.37427  0.199367  
1 1 1 53 15 18 o 0.766803 0.301467  0.396427     0.675774 0.320124     0.913987 0.488441     1.00367  0.831167 0.341875  0.899113 0.362408  
1 1 1 53 15 19 f 1.14712  0.30135   1.43702      0.700344 1.60915      0.992746 1.26648      0.988141 1.2109   0.373181  1.1037   0.374758  
1 1 1 53 15 20 o 0.709863 0.293119  0.205378     0.674677 -0.13178     0.948116 0.551237     0.960274 0.746311 0.328457  0.897231 0.35726   
1 1 1 53 15 21 o 1.62801  0.213768  2.73712      0.69603  3.59032      0.961132 1.79625      1.00931  1.85077  0.259657  1.26265  0.373738  
1 1 1 53 15 22 o 1.99194  0.182342  4.06773      0.726427 4.42123      0.976579 3.62985      1.0869   2.05923  0.237122  1.84551  0.294471  
1 1 1 53 15 23 o 1.69627  0.223031  2.99399      0.756644 3.48564      1.04649  2.45541      1.09529  1.80631  0.289677  1.45914  0.373682  
1 1 1 53 15 24 o 3.27872  0.125068  10.8988      0.820125 10.8221      1.12554  10.9856      1.19746  3.24666  0.173338  3.26608  0.183318  
1 1 1 53 15 25 o 1.29201  0.297314  1.88955      0.7528   2.2359       1.01566  1.46731      1.12142  1.37451  0.36374   1.13479  0.398229  
1 1 1 53 15 26 o 1.38702  0.283418  2.172        0.759045 1.91986      1.04423  2.45447      1.10527  1.25701  0.381805  1.41827  0.381336  
1 1 1 53 15 27 o 0.894297 0.325195  0.840373     0.753719 0.944562     1.02661  0.718547     1.11012  0.964626 0.373233  0.926851 0.378252  
1 1 1 53 15 28 o 0.69237  0.299768  0.120547     0.764308 0.432841     1.03671  -0.251305    1.13126  0.835388 0.355036  0.745675 0.340028  
1 1 1 53 15 29 o 1.14644  0.329545  1.64226      0.795965 2.40689      1.0609   0.657494     1.20396  1.35201  0.377857  0.897976 0.382148  
1 1 1 53 15 30 o 1.27058  0.343383  2.12136      0.893361 1.90627      1.21386  2.37554      1.31955  1.14239  0.412957  1.24691  0.43251   
1 1 1 53 15 31 o 1.88566  0.238663  4.10803      0.900072 4.49782      1.24184  3.67667      1.3064   1.82777  0.352287  1.56003  0.412388  
1 1 1 53 15 32 f 0.60317  0.284128  -0.370709    0.897908 0.729843     1.18063  -1.88063     1.38289  0.822477 0.363744  0.599569 0.297949  
1 1 1 53 15 33 o 0.552484 0.274034  -1.40576     1.14415  -2.09199     1.6912   -0.826603    1.55367  0.621775 0.311969  0.672019 0.331024  
1 1 1 53 15 34 o 1.33058  0.416188  3.57256      1.22862  3.42962      1.89407  3.6764       1.61433  1.00576  0.45167   1.13062  0.458009  
1 1 1 53 16 0  o 1.73492  0.2135    3.16264      0.715496 3.16264      0.715496 3.16264      0.715496 1.75783  0.146237  ?        ?         
1 1 1 53 16 1  o 7.80576  0.0790382 61.038       1.23391  61.1354      1.79643  60.951       1.69776  7.80437  0.115091  7.7941   0.108913  
1 1 1 53 16 2  o 5.75935  0.073634  33.2214      0.848168 32.5054      1.21364  33.9051      1.18583  5.69218  0.106606  5.81424  0.101976  
1 1 1 53 16 3  f 6.21954  0.0748159 38.7452      0.930641 39.4557      1.28119  37.9516      1.35408  6.272    0.102136  6.14981  0.110091  
1 1 1 53 16 4  o 2.63991  0.0969703 6.98834      0.511986 7.75305      0.70671  6.14365      0.742748 2.77789  0.127203  2.47052  0.150322  
1 1 1 53 16 5  o 4.20645  0.0753932 17.7243      0.634275 17.5131      0.883623 17.9487      0.911003 4.17791  0.105749  4.22929  0.107702  
1 1 1 53 16 6  o 3.34432  0.082623  11.2079      0.552636 11.2967      0.768996 11.1131      0.794729 3.35429  0.114629  3.32635  0.11946   
1 1 1 53 16 7  o 2.6585   0.0933571 7.08708      0.49638  7.42464      0.664767 6.66169      0.746251 2.71835  0.122274  2.57241  0.145049  
1 1 1 53 16 8  o 3.30858  0.0908496 10.9764      0.601167 11.2675      0.796917 10.592       0.915778 3.34882  0.118985  3.24379  0.141159  
1 1 1 53 16 9  o 1.76263  0.173451  3.1393       0.611461 3.96144      0.905001 2.44877      0.829407 1.97226  0.229432  1.52087  0.283238  
1 1 1 53 16 10 o 5.10061  0.0885202 26.0897      0.903013 25.4514      1.27291  26.7365      1.28124  5.03035  0.126523  5.15632  0.12424   
1 1 1 53 16 11 f 2.63088  0.131196  6.96415      0.69032  7.68737      1.09117  6.48154      0.891373 2.75314  0.198169  2.53175  0.176039  
1 1 1 53 16 12 o 2.93603  0.123398  8.66918      0.724602 7.81434      1.06868  9.39659      0.985815 2.77619  0.192472  3.05049  0.161583  
1 1 1 53 16 13 o 2.67951  0.137602  7.2336       0.737414 7.30934      1.09273  7.17027      0.999247 2.68159  0.203747  2.65918  0.187886  
1 1 1 53 16 14 o 4.67276  0.081786  21.8936      0.764334 22.7257      1.16871  21.2718      1.01036  4.7525   0.122958  4.60083  0.109802  
1 1 1 53 16 15 o 0.505398 0.234134  -0.455335    0.563202 -0.551131    0.810415 -0.365852    0.783255 0.618998 0.284437  0.637592 0.288168  
1 1 1 53 16 16 o 5.84628  0.0892699 34.3169      1.04379  34.0381      1.43927  34.6262      1.51602  5.81174  0.123824  5.85967  0.12936   
1 1 1 53 16 17 o 1.34281  0.254185  1.92256      0.657824 2.07787      0.8795   1.72534      0.991068 1.37627  0.324438  1.25262  0.370218  
1 1 1 53 16 18 o 3.20925  0.120424  10.3868      0.772943 10.7629      1.07159  9.97885      1.11597  3.25491  0.164612  3.12989  0.178276  
1 1 1 53 16 19 o 1.20831  0.290396  1.59421      0.694115 1.12322      0.997844 2.03578      0.966175 1.06012  0.375283  1.34979  0.353655  
1 1 1 53 16 20 o 1.10874  0.29418   1.34808      0.663251 1.56275      0.917945 1.11359      0.959383 1.18721  0.357448  1.04725  0.368256  
1 1 1 53 16 21 o 2.40888  0.150752  5.90158      0.726287 6.26843      1.0218   5.52699      1.03253  2.46436  0.207316  2.30814  0.223671  
1 1 1 53 16 22 o 2.57605  0.15591   6.76009      0.803266 8.54965      1.16579  5.14252      1.10836  2.87889  0.202473  2.21495  0.250199  
1 1 1 53 16 23 o 1.97945  0.188676  4.0405       0.746949 3.87902      0.987885 4.25606      1.14135  1.91456  0.257993  1.99276  0.286373  
1 1 1 53 16 24 o 2.98317  0.141603  9.07642      0.844852 10.4828      1.16943  7.54104      1.22189  3.18517  0.183575  2.67817  0.228121  
1 1 1 53 16 25 o 1.151    0.3157    1.52983      0.748275 1.85255      1.00459  1.12764      1.12147  1.24358  0.373841  1.03894  0.393247  
1 1 1 53 16 26 o 2.09087  0.182221  4.55696      0.762002 4.33674      1.04024  4.81196      1.11937  1.99758  0.260375  2.1002   0.266492  
1 1 1 53 16 27 o 1.69425  0.231133  3.09974      0.783193 3.30478      1.03523  2.82533      1.19763  1.677    0.320126  1.48784  0.395557  
1 1 1 53 16 28 f 0.817104 0.320605  0.644185     0.763002 0.601563     1.00545  0.70206      1.17161  0.855348 0.355788  0.906035 0.380864  
1 1 1 53 16 29 o 0.539385 0.258397  -0.819823    0.793078 -0.183681    1.02436  -1.77173     1.25306  0.710349 0.323824  0.61177  0.300192  
1 1 1 53 16 30 o 1.06071  0.35244   1.53853      0.873951 1.05758      1.19765  2.08634      1.27819  0.931743 0.387983  1.1582   0.423255  
1 1 1 53 16 31 o 1.51311  0.320882  3.00288      0.941545 2.68014      1.30434  3.35403      1.36053  1.27061  0.430562  1.43267  0.435939  
1 1 1 53 16 32 o 0.769194 0.346267  0.577706     1.11979  -0.645083    1.54876  1.91715      1.62095  0.701276 0.341739  0.973553 0.428941  
1 1 1 53 16 33 o 0.669888 0.316981  -0.119579    1.13639  0.345048     1.77265  -0.443755    1.48068  0.788696 0.379876  0.695383 0.337659  
1 1 1 53 17 0  o 0.538286 0.336794  0.212139     0.726317 0.212139     0.726317 0.212139     0.726317 0.473407 0.289934  ?        ?         
1 1 1 53 17 1  o 4.74788  0.0770056 22.5826      0.731226 22.099       1.00667  23.1228      1.06393  4.69286  0.107255  4.79977  0.110831  
1 1 1 53 17 2  o 3.40627  0.0852773 11.6283      0.580955 11.5096      0.783948 11.7728      0.865245 3.38572  0.115773  3.42289  0.126391  
1 1 1 53 17 3  o 3.16877  0.0867021 10.0642      0.549478 9.28572      0.744333 10.9966      0.814567 3.04027  0.122412  3.30843  0.123105  
1 1 1 53 17 4  o 4.81084  0.0726874 23.1822      0.699375 23.9551      0.996474 22.4319      0.981821 4.88645  0.101963  4.72826  0.103825  
1 1 1 53 17 5  o 2.48397  0.0968614 6.1885       0.481202 6.4495       0.658034 5.88849      0.705485 2.53273  0.129906  2.41837  0.14586   
1 1 1 53 17 6  o 4.3877   0.0737374 19.2861      0.647075 19.0554      0.91017  19.522       0.920114 4.35737  0.10444   4.41042  0.104311  
1 1 1 53 17 7  o 1.24112  0.242311  1.62211      0.580016 0.703297     0.854152 2.40832      0.790118 0.924636 0.344726  1.51112  0.271285  
1 1 1 53 17 8  o 2.46883  0.127697  6.13069      0.630524 4.87788      0.903559 7.31979      0.880287 2.1919   0.206113  2.6926   0.163464  
1 1 1 53 17 9  o 1.10479  0.271895  1.30181      0.597499 1.0423       0.877191 1.52644      0.816096 1.0327   0.353092  1.19322  0.330732  
1 1 1 53 17 10 f 1.64432  0.200928  2.74279      0.660779 2.45331      1.01459  2.95601      0.870774 1.50633  0.344162  1.69928  0.256218  
1 1 1 53 17 11 o 0.998392 0.301719  1.04235      0.653211 0.0163149    0.978893 1.86598      0.877038 0.798253 0.342292  1.31366  0.333178  
1 1 1 53 17 12 o 1.21295  0.284223  1.57639      0.678166 -0.436215    0.989368 3.36005      0.931399 0.719875 0.324693  1.80939  0.257379  
1 1 1 53 17 13 o 4.09532  0.103212  16.8437      0.845377 17.7964      1.23757  16.0103      1.15752  4.20002  0.147329  3.98418  0.145265  
1 1 1 53 17 14 o 2.72538  0.130603  7.48698      0.711887 6.91653      1.03713  7.99518      0.97891  2.60596  0.198992  2.80773  0.174324  
1 1 1 53 17 15 o 3.15334  0.101745  9.99543      0.641675 9.04592      0.954204 10.7793      0.866984 2.98855  0.159643  3.26876  0.132617  
1 1 1 53 17 16 o 2.4275   0.130274  5.94664      0.632479 6.47519      0.883318 5.39057      0.906035 2.52382  0.174996  2.29773  0.197159  
1 1 1 53 17 17 o 2.61621  0.131417  6.9131       0.68763  7.78629      0.960518 5.9951       0.984851 2.76627  0.173613  2.41954  0.20352   
1 1 1 53 17 18 o 1.77256  0.184462  3.20726      0.653939 4.05243      0.967948 2.49758      0.886968 1.97695  0.244809  1.51479  0.303476  
1 1 1 53 17 19 o 2.13853  0.167264  4.65772      0.715396 4.84437      0.965826 4.43083      1.06485  2.16563  0.22299   2.05988  0.258474  
1 1 1 53 17 20 o 2.85915  0.129629  8.27681      0.741256 8.38754      1.02611  8.15596      1.07198  2.8623   0.179245  2.8184   0.190176  
1 1 1 53 17 21 o 1.02632  0.315138  1.14789      0.708822 0.335799     0.962097 2.112        1.04829  0.841031 0.34882   1.35857  0.374124  
1 1 1 53 17 22 o 1.44445  0.26995   2.27318      0.750923 2.24281      1.04937  2.30506      1.07502  1.39398  0.370109  1.41145  0.374542  
1 1 1 53 17 23 o 4.33223  0.111595  18.9797      0.966915 18.2758      1.28135  19.9106      1.47356  4.23128  0.151414  4.40665  0.167197  
1 1 1 53 17 24 o 2.09175  0.182234  4.53436      0.762378 4.14851      1.01959  5.02364      1.14815  1.96565  0.259353  2.1593   0.265863  
1 1 1 53 17 25 o 2.03415  0.18788   4.3176       0.764351 3.74579      1.03548  5.00219      1.133    1.84838  0.280104  2.14662  0.263904  
1 1 1 53 17 26 o 0.813288 0.316512  0.587081     0.740522 1.96507      0.986513 -1.19162     1.12081  1.2658   0.36786   0.638252 0.306103  
1 1 1 53 17 27 o 1.26748  0.308615  1.9142       0.776107 1.65344      1.00558  2.29839      1.22056  1.14423  0.37805   1.31248  0.415543  
1 1 1 53 17 28 o 0.934487 0.333193  1.03052      0.787834 1.03338      1.01668  1.02623      1.24642  0.953538 0.370911  0.976177 0.399993  
1 1 1 53 17 29 o 1.3334   0.320835  2.24548      0.846484 1.08854      1.11813  3.79881      1.29559  0.952241 0.383056  1.66139  0.39514   
1 1 1 53 17 30 o 1.35171  0.335118  2.45097      0.902617 3.03002      1.22969  1.77455      1.32908  1.40773  0.411221  1.06226  0.421141  
1 1 1 53 17 31 o 1.91708  0.268558  4.48625      1.02969  3.01849      1.52809  5.70702      1.3936   1.25876  0.462513  2.05735  0.338689  
1 1 1 53 17 32 o 0.614041 0.298409  -0.71802     1.16065  -2.67709     1.98427  0.30084      1.43098  0.644708 0.325216  0.754646 0.356434  
1 1 1 53 17 33 o 1.31989  0.423222  3.4229       1.26314  3.94535      1.81851  2.93586      1.75583  1.16553  0.481252  1.02975  0.450121  
1 1 1 53 18 0  o 2.60982  0.156758  6.91088      0.811457 6.91088      0.811457 6.91088      0.811457 2.61942  0.109966  ?        ?         
1 1 1 53 18 1  o 2.47518  0.113666  6.15183      0.562688 5.6874       0.747007 6.76097      0.855503 2.37533  0.157243  2.58876  0.165234  
1 1 1 53 18 2  o 4.04239  0.0810022 16.3755      0.654886 16.0067      0.862879 16.8765      1.00575  3.99323  0.108043  4.09802  0.122711  
1 1 1 53 18 3  o 1.86006  0.14125   3.4824       0.525467 3.376        0.672106 3.64971      0.842767 1.82717  0.18392   1.89494  0.222372  
1 1 1 53 18 4  o 1.46216  0.161535  2.15658      0.47238  1.84475      0.631105 2.55385      0.71234  1.32422  0.247476  1.58459  0.224771  
1 1 1 53 18 5  o 3.72474  0.0785341 13.9031      0.585038 13.6435      0.835853 14.1525      0.819136 3.68548  0.113398  3.75423  0.109095  
1 1 1 53 18 6  o 5.71258  0.0807294 32.7095      0.922347 33.8968      1.34457  31.6542      1.26762  5.80815  0.115748  5.61338  0.112911  
1 1 1 53 18 7  o 1.10342  0.272869  1.2988       0.599588 1.47252      0.890827 1.15492      0.810716 1.17775  0.351632  1.05962  0.33899   
1 1 1 53 18 8  o 3.92109  0.0959926 15.4257      0.752791 15.6447      1.0983   15.2316      1.03384  3.94153  0.139324  3.89037  0.132871  
1 1 1 53 18 9  o 3.98261  0.10697   15.927       0.852039 13.3059      1.2685   18.0818      1.15011  3.62747  0.174846  4.238    0.13569   
1 1 1 53 18 10 o 1.13737  0.289374  1.38574      0.660032 1.87774      1.00058  1.00674      0.878198 1.31595  0.366692  1.02015  0.352939  
1 1 1 53 18 11 o 3.12627  0.119308  9.82884      0.745979 9.56205      1.0866   10.0667      1.02596  3.07315  0.176789  3.15621  0.16253   
1 1 1 53 18 12 o 0.67599  0.284934  0.0780414    0.658682 1.13619      0.955447 -0.880361    0.9093   1.07273  0.368423  0.617966 0.289832  
1 1 1 53 18 13 o 3.75139  0.109268  14.1515      0.819816 14.0357      1.1386   14.2763      1.18138  3.72616  0.152784  3.75677  0.157233  
1 1 1 53 18 14 o 3.66474  0.109081  13.5108      0.799504 13.7565      1.12265  13.2579      1.13887  3.68759  0.15222   3.61872  0.157357  
1 1 1 53 18 15 f 3.30606  0.132396  11.032       0.875418 10.5216      1.24806  11.5263      1.22824  3.21149  0.194311  3.36526  0.182487  
1 1 1 53 18 16 o 2.25526  0.174504  5.17534      0.787105 4.92035      1.06707  5.47965      1.16572  2.18082  0.244649  2.29859  0.253574  
1 1 1 53 18 17 o 2.92505  0.120531  8.63084      0.705118 9.44695      1.14482  8.132        0.895038 3.04115  0.188222  2.83033  0.158116  
1 1 1 53 18 18 o 1.32623  0.24972   1.88265      0.63808  0.976587     0.885366 2.86187      0.920417 0.996078 0.35341   1.62516  0.293962  
1 1 1 53 18 19 o 0.837434 0.300534  0.658766     0.641881 1.10793      0.906789 0.207681     0.908726 1.0361   0.358621  0.796911 0.335229  
1 1 1 53 18 20 o 1.08758  0.292686  1.30298      0.650748 1.12767      0.891183 1.50322      0.952465 1.03758  0.355869  1.16282  0.366971  
1 1 1 53 18 21 o 2.212    0.16339   4.99588      0.72284  5.49182      0.999015 4.45095      1.04719  2.30112  0.217072  2.05787  0.254434  
1 1 1 53 18 22 o 2.73513  0.139706  7.60943      0.76423  8.39706      1.07471  6.80374      1.08696  2.85357  0.18831   2.55807  0.212458  
1 1 1 53 18 23 o 2.95072  0.149163  8.90457      0.880277 9.75389      1.15575  7.73115      1.35848  3.06841  0.18833   2.69501  0.252036  
1 1 1 53 18 24 o 1.02185  0.320988  1.18851      0.729796 1.26833      0.968333 1.08357      1.11036  1.06005  0.370236  1.02534  0.390357  
1 1 1 53 18 25 o 1.89524  0.203477  3.78285      0.771275 3.08631      1.01499  4.73465      1.18648  1.63137  0.322561  2.06911  0.286712  
1 1 1 53 18 26 o 1.04527  0.329569  1.29785      0.768389 1.6588       1.00196  0.782454     1.19728  1.15665  0.377369  0.948296 0.390877  
1 1 1 53 18 27 f 3.02319  0.149689  9.50532      0.905077 10.2455      1.12648  8.1574       1.5202   3.11081  0.181059  2.66878  0.284813  
1 1 1 53 18 28 o 0.87303  0.326508  0.850783     0.767451 0.448551     0.989891 1.45683      1.21508  0.812105 0.346086  1.06042  0.406995  
1 1 1 53 18 29 o 0.836454 0.334786  0.769996     0.847998 1.80396      1.13379  -0.542771    1.27754  1.10921  0.399288  0.712567 0.336664  
1 1 1 53 18 30 o 0.896661 0.355025  1.04334      0.943392 -0.0439374   1.34309  2.10218      1.3254   0.766825 0.357666  1.12744  0.427286  
1 1 1 53 18 31 o 0.510758 0.253193  -1.45879     0.973263 -3.04155     1.50264  -0.314932    1.27742  0.557511 0.281599  0.688985 0.329554  
1 1 1 53 18 32 o 0.771807 0.345905  0.691192     1.10595  0.739302     1.79934  0.661981     1.40206  0.818885 0.391552  0.789793 0.367238  
1 1 1 53 18 33 o 1.24743  0.421905  3.51027      1.25241  3.0362       1.79143  3.9635       1.75159  0.933649 0.426451  1.06456  0.457227  
1 1 1 53 19 0  o 6.86486  0.116267  47.2773      1.59528  47.2773      1.59528  47.2773      1.59528  6.87032  0.0821211 ?        ?         
1 1 1 53 19 1  f 4.69695  0.0813475 22.1122      0.764169 21.7341      1.08229  22.488       1.07911  4.65094  0.116352  4.73136  0.114038  
1 1 1 53 19 2  o 4.2231   0.0842363 17.8791      0.711476 18.1434      0.967785 17.5682      1.04954  4.24976  0.113863  4.17979  0.125549  
1 1 1 53 19 3  o 2.1123   0.124851  4.4867       0.527448 3.70231      0.706637 5.47352      0.79259  1.91244  0.184748  2.32746  0.17027   
1 1 1 53 19 4  o 2.292    0.11129   5.27674      0.510153 5.03426      0.693282 5.5631       0.753392 2.23397  0.155168  2.34768  0.160455  
1 1 1 53 19 5  o 2.0164   0.114149  4.08494      0.460341 5.40302      0.657416 2.81694      0.644807 2.316    0.141929  1.66711  0.19339   
1 1 1 53 19 6  o 2.71529  0.124681  7.41386      0.677089 7.17291      0.997215 7.61995      0.922268 2.66139  0.187349  2.74646  0.167901  
1 1 1 53 19 7  o 1.55966  0.217894  2.47393      0.679679 2.72331      0.969713 2.23312      0.952929 1.59662  0.314889  1.43776  0.336924  
1 1 1 53 19 8  o 1.11042  0.295608  1.31826      0.668309 0.750195     0.907516 1.99134      0.987848 0.950869 0.355167  1.35426  0.358883  
1 1 1 53 19 9  o 2.90063  0.127505  8.46745      0.739691 7.69643      1.03191  9.28232      1.06085  2.75532  0.187258  3.02848  0.175146  
1 1 1 53 19 10 f 0.563284 0.260759  -0.555165    0.696926 0.0826636    0.987302 -1.18862     0.983913 0.813691 0.346162  0.613247 0.292343  
1 1 1 53 19 11 o 3.72153  0.111042  13.9206      0.826493 13.3519      1.13386  14.5653      1.20727  3.63556  0.15594   3.79642  0.159001  
1 1 1 53 19 12 o 0.472207 0.22913   -1.12514     0.679739 -0.969255    0.959114 -1.28245     0.963493 0.626862 0.29481   0.591909 0.283861  
1 1 1 53 19 13 o 1.40155  0.271161  2.09884      0.732964 1.35896      1.02059  2.88692      1.05332  1.14263  0.380862  1.62745  0.335079  
1 1 1 53 19 14 o 1.6805   0.219989  2.89654      0.739385 2.55187      1.04315  3.24452      1.04816  1.52125  0.349932  1.73312  0.313929  
1 1 1 53 19 15 o 1.01099  0.326281  1.07108      0.749865 1.2147       1.17628  0.97276      0.973268 1.11903  0.406316  1.01679  0.369554  
1 1 1 53 19 16 o 1.26517  0.286477  1.74002      0.708148 2.29824      1.07162  1.30729      0.94351  1.43144  0.371255  1.11095  0.366197  
1 1 1 53 19 17 o 0.696826 0.276702  0.302004     0.57459  -0.531642    1.06133  0.647657     0.683407 0.724628 0.330141  0.847123 0.309497  
1 1 1 53 19 18 o 1.43127  0.236124  2.12774      0.675912 3.40941      1.08385  1.31208      0.86464  1.76291  0.319123  1.09907  0.349928  
1 1 1 53 19 19 o 1.01399  0.303035  1.11987      0.661393 0.65395      0.968725 1.52669      0.905206 0.91876  0.361027  1.16989  0.355508  
1 1 1 53 19 20 o 1.09571  0.302262  1.32688      0.68353  2.10555      0.98113  0.592523     0.952805 1.36094  0.356291  0.898319 0.356441  
1 1 1 53 19 21 o 1.92181  0.186967  3.80617      0.71863  3.17928      1.05178  4.35506      0.984178 1.6861   0.323436  2.03572  0.241727  
1 1 1 53 19 22 o 2.30281  0.158452  5.42873      0.729771 6.08291      1.00165  4.68863      1.0654   2.41791  0.207132  2.10259  0.253354  
1 1 1 53 19 23 o 2.55511  0.155015  6.70502      0.792161 6.53558      1.07312  6.9079       1.17427  2.492    0.215313  2.55306  0.229973  
1 1 1 53 19 24 o 2.03836  0.187649  4.33628      0.764993 3.65574      0.99305  5.32963      1.19975  1.83039  0.271268  2.20994  0.271445  
1 1 1 53 19 25 o 1.53997  0.243073  2.56503      0.748649 2.8405       0.977733 2.17465      1.16395  1.55477  0.32498   1.30862  0.404239  
1 1 1 53 19 26 o 1.42162  0.284379  2.33942      0.779991 2.91496      1.03725  1.59043      1.18326  1.54252  0.344943  1.12136  0.407485  
1 1 1 53 19 27 o 1.90899  0.208949  3.94254      0.797762 4.54456      1.01811  2.985        1.28402  2.01537  0.252586  1.47057  0.417226  
1 1 1 53 19 28 o 0.592377 0.273791  -0.327899    0.76439  -0.445707    1.02986  -0.183387    1.14063  0.666417 0.311748  0.733142 0.337122  
1 1 1 53 19 29 o 1.01284  0.367217  1.45114      0.960483 0.0143565    1.35073  2.92071      1.36605  0.781088 0.362135  1.33235  0.440631  
1 1 1 53 19 30 o 0.640836 0.298571  -0.244104    0.932654 -0.576173    1.43446  -0.000931702 1.22753  0.721837 0.346215  0.742881 0.34473   
1 1 1 53 19 31 o 1.81754  0.288677  4.36965      1.04937  5.68101      1.66688  3.50873      1.35059  1.70706  0.472504  1.34759  0.438131  
1 1 1 53 19 32 o 0.698087 0.325488  0.223207     1.11103  0.869164     1.72979  -0.230404    1.44955  0.814437 0.388068  0.697376 0.337464  
1 1 1 53 20 0  o 7.40885  0.1221    55.0826      1.80813  55.0826      1.80813  55.0826      1.80813  7.41528  0.0862363 ?        ?         
1 1 1 53 20 1  o 3.00313  0.109335  9.05753      0.656692 8.83275      0.88479  9.33321      0.979878 2.96005  0.149455  3.04077  0.161123  
1 1 1 53 20 2  o 6.13605  0.090994  37.763       1.11669  38.1287      1.6062   37.4208      1.55358  6.15591  0.13046   6.09938  0.127356  
1 1 1 53 20 3  o 3.1739   0.0939875 10.1055      0.596614 10.3745      0.88717  9.88343      0.80612  3.20989  0.138193  3.13443  0.128591  
1 1 1 53 20 4  o 2.28001  0.111411  5.22149      0.508036 5.07155      0.706593 5.38196      0.730972 2.24198  0.157582  2.30948  0.158254  
1 1 1 53 20 5  o 3.86324  0.0896708 14.9682      0.69284  15.1131      0.96597  14.8147      0.99429  3.87655  0.124591  3.8372   0.129559  
1 1 1 53 20 6  o 1.74834  0.195336  3.10037      0.683027 2.3635       1.00223  3.7394       0.933334 1.47672  0.345192  1.91243  0.244018  
1 1 1 53 20 7  o 3.94883  0.105367  15.6606      0.832149 15.486       1.18645  15.8296      1.16745  3.91777  0.151419  3.96193  0.147333  
1 1 1 53 20 8  o 6.31393  0.0981218 40.0182      1.23907  40.9431      1.84005  39.2507      1.67603  6.37226  0.14438   6.24266  0.13424   
1 1 1 53 20 9  o 2.32658  0.162129  5.47015      0.754412 4.09757      1.06279  6.86418      1.07106  1.99574  0.266264  2.59765  0.20616   
1 1 1 53 20 10 o 4.97586  0.0958994 24.8576      0.954364 24.4652      1.38256  25.2148      1.31903  4.92517  0.140356  5.00256  0.131836  
1 1 1 53 20 11 o 4.87611  0.0943514 23.8808      0.920136 24.1339      1.31809  23.6402      1.28508  4.89096  0.134748  4.84131  0.13272   
1 1 1 53 20 12 o 1.91145  0.176216  3.71093      0.673654 3.49836      1.0028   3.88575      0.909415 1.83619  0.273064  1.94461  0.23383   
1 1 1 53 20 13 o 3.50395  0.125283  12.3802      0.877969 11.7136      1.2124   13.1152      1.27309  3.39373  0.178624  3.5915   0.177237  
1 1 1 53 20 14 o 2.5382   0.143913  6.51885      0.730562 5.50497      1.03572  7.52283      1.03064  2.31318  0.223872  2.71481  0.189819  
1 1 1 53 20 15 o 1.25571  0.290791  1.71664      0.71651  1.49426      1.01849  1.93454      1.00819  1.17651  0.380313  1.31702  0.368439  
1 1 1 53 20 16 o 1.86889  0.209717  3.58918      0.783879 3.19839      1.17263  3.9049       1.05399  1.69394  0.357266  1.93098  0.272914  
1 1 1 53 20 17 o 3.29323  0.125992  10.9623      0.829838 11.61        1.19308  10.3553      1.15498  3.37167  0.176928  3.18256  0.181455  
1 1 1 53 20 18 o 2.50353  0.128054  6.34436      0.641173 5.4012       1.12658  6.79623      0.779783 2.27268  0.247852  2.58517  0.150818  
1 1 1 53 20 19 o 1.49891  0.22193   2.33115      0.665304 1.87665      1.0156   2.6728       0.880548 1.28414  0.373263  1.56349  0.292435  
1 1 1 53 20 20 o 0.663942 0.286358  0.0161083    0.692392 1.03902      1.01478  -0.874914    0.947103 1.02489  0.376875  0.623262 0.293071  
1 1 1 53 20 21 o 1.99951  0.178879  4.11136      0.71534  4.06337      1.04881  4.1531       0.978167 1.95419  0.268349  1.98505  0.246383  
1 1 1 53 20 22 o 1.94379  0.192533  3.92684      0.74849  3.19923      1.07763  4.60505      1.0404   1.6711   0.334242  2.07815  0.250319  
1 1 1 53 20 23 o 1.55859  0.24939   2.61197      0.777392 3.44762      1.02799  1.49574      1.1881   1.76906  0.290547  1.1362   0.408766  
1 1 1 53 20 24 o 1.93948  0.201104  3.96012      0.780073 4.14626      1.02888  3.70845      1.19634  1.94922  0.263921  1.76912  0.350583  
1 1 1 53 20 25 o 1.43789  0.278212  2.36387      0.771522 1.81015      1.03232  3.0645       1.16122  1.19932  0.382408  1.56658  0.375041  
1 1 1 53 20 26 f 0.533814 0.257518  -0.991066    0.822553 -1.85468     1.09794  0.113741     1.24183  0.558569 0.275093  0.819    0.366811  
1 1 1 53 20 27 o 1.34627  0.304976  2.19885      0.802265 1.56574      1.0739   2.99841      1.20685  1.08975  0.388965  1.48707  0.397861  
1 1 1 53 20 28 o 1.12996  0.358894  1.75707      0.90992  1.63474      1.30657  1.87226      1.26794  1.0568   0.418006  1.11302  0.419004  
1 1 1 53 20 29 o 0.662435 0.304473  -0.125711    0.929258 -1.89467     1.38767  1.31249      1.25123  0.615393 0.304397  0.964688 0.39881   
1 1 1 53 20 30 o 0.609347 0.287197  -0.314977    0.919873 1.54237      1.42645  -1.63724     1.20356  0.941303 0.408562  0.564661 0.280238  
1 1 1 53 20 31 o 0.917252 0.378441  1.49736      1.12336  1.38825      1.64023  1.59375      1.54168  0.875789 0.403363  0.903454 0.406523  
1 1 1 53 20 32 o 0.914736 0.384272  1.84977      1.19138  0.74613      1.66691  3.00227      1.70342  0.751185 0.363221  0.981374 0.435095  
1 1 1 53 21 0  o 2.69389  0.161828  7.3696       0.864686 7.3696       0.864686 7.3696       0.864686 2.70439  0.113498  ?        ?         
1 1 1 53 21 1  o 3.6042   0.0978701 13.036       0.705487 12.7664      0.982087 13.3235      1.0141   3.56047  0.137915  3.63706  0.139412  
1 1 1 53 21 2  o 3.67331  0.0943918 13.5378      0.693461 14.0062      0.969686 13.0476      0.992104 3.73073  0.129959  3.5994   0.137815  
1 1 1 53 21 3  o 4.16099  0.0814916 17.3572      0.678172 18.0839      1.03692  16.814       0.896494 4.24054  0.122263  4.0912   0.109564  
1 1 1 53 21 4  o 2.67994  0.0948375 7.20692      0.508318 7.38022      0.701526 7.01535      0.737569 2.70792  0.129532  2.63874  0.139758  
1 1 1 53 21 5  o 1.26115  0.25437   1.68582      0.619105 0.939056     0.926834 2.28748      0.831928 1.00904  0.361231  1.46358  0.294558  
1 1 1 53 21 6  o 5.20234  0.0879033 27.1475      0.914606 26.9576      1.31124  27.3274      1.27636  5.17553  0.126677  5.21199  0.122445  
1 1 1 53 21 7  o 3.72651  0.107418  13.9511      0.800591 12.6308      1.18225  15.0693      1.08802  3.53405  0.167266  3.86647  0.1407    
1 1 1 53 21 8  o 4.58826  0.095494  21.1318      0.876302 20.2696      1.31088  21.8283      1.17826  4.48214  0.146233  4.65648  0.126518  
1 1 1 53 21 9  o 3.34341  0.110553  11.2411      0.739249 10.5321      1.07769  11.8713      1.01595  3.22471  0.1671    3.42823  0.148174  
1 1 1 53 21 10 o 3.53214  0.104389  12.5438      0.737429 11.3558      1.05602  13.6744      1.03022  3.34927  0.15765   3.68007  0.139973  
1 1 1 53 21 11 o 2.48092  0.139396  6.21567      0.691663 6.27484      1.011    6.16361      0.948324 2.47894  0.203918  2.45957  0.192782  
1 1 1 53 21 12 o 1.0592   0.298406  1.21034      0.659069 1.37766      0.962915 1.06287      0.904001 1.13942  0.369939  1.0326   0.358005  
1 1 1 53 21 13 o 2.68926  0.147148  7.32198      0.791439 5.54369      1.15666  8.88753      1.08527  2.31323  0.250011  2.95261  0.183782  
1 1 1 53 21 14 o 2.90924  0.128844  8.54724      0.74968  7.6961       1.07939  9.34046      1.04201  2.74273  0.196773  3.02965  0.171969  
1 1 1 53 21 15 o 1.05688  0.322213  1.20552      0.742787 2.04468      1.07798  0.4469       1.02494  1.34738  0.382294  0.892225 0.363675  
1 1 1 53 21 16 f 2.46458  0.164902  6.18492      0.812826 5.52882      1.21395  6.71811      1.09435  2.29813  0.264117  2.55285  0.214339  
1 1 1 53 21 17 o 2.20935  0.169041  4.98499      0.746943 5.26558      1.07146  4.71969      1.04184  2.24788  0.238326  2.12572  0.245055  
1 1 1 53 21 18 o 0.993946 0.318677  1.05957      0.71618  0.707154     1.01103  1.41451      1.01464  0.941973 0.369165  1.13863  0.37975   
1 1 1 53 21 19 o 2.47172  0.13393   6.19743      0.662074 6.70181      1.06713  5.88177      0.844197 2.54424  0.209714  2.39556  0.176201  
1 1 1 53 21 20 o 1.65055  0.207528  2.82759      0.685068 2.60223      1.02101  3.01213      0.923917 1.51024  0.34538   1.68052  0.27489   
1 1 1 53 21 21 o 1.38875  0.274677  2.13272      0.735771 1.90246      1.04013  2.36334      1.04095  1.27134  0.380034  1.41934  0.364771  
1 1 1 53 21 22 o 2.6093   0.155832  7.00028      0.813224 5.84671      1.08931  8.45267      1.22228  2.34564  0.2322    2.83173  0.215818  
1 1 1 53 21 23 o 1.17003  0.314737  1.59324      0.752699 1.9194       1.00685  1.18001      1.13329  1.25791  0.373477  1.04638  0.395534  
1 1 1 53 21 24 o 1.26905  0.305662  1.88526      0.767713 2.16058      1.00047  1.49099      1.19726  1.32373  0.365914  1.11571  0.409449  
1 1 1 53 21 25 o 1.76486  0.234437  3.39862      0.827495 2.20469      1.08593  5.05188      1.27786  1.30176  0.388147  2.0903   0.305665  
1 1 1 53 21 26 o 1.18097  0.343278  1.76865      0.858987 1.62371      1.13955  1.95938      1.30722  1.10977  0.40022   1.18718  0.428602  
1 1 1 53 21 27 o 1.13112  0.339238  1.66815      0.827878 1.09778      1.16719  2.24563      1.17444  0.957362 0.388806  1.24599  0.40856   
1 1 1 53 21 28 o 0.781252 0.336557  0.501815     0.954268 0.408037     1.38579  0.586385     1.31599  0.836041 0.379919  0.851496 0.37958   
1 1 1 53 21 29 o 0.596558 0.282063  -0.500824    0.898256 -0.921721    1.36708  -0.181054    1.19158  0.677394 0.327782  0.713704 0.334204  
1 1 1 53 21 30 o 0.570094 0.276242  -0.752285    0.981928 -0.916423    1.40709  -0.596477    1.37093  0.651737 0.319281  0.669791 0.325129  
1 1 1 53 21 31 o 0.592824 0.287876  -0.704308    1.07654  -1.99502     1.57698  0.422157     1.47323  0.607451 0.303726  0.763855 0.361195  
1 1 1 53 22 0  o 2.06219  0.209213  4.41762      0.842516 4.41762      0.842516 4.41762      0.842516 2.08269  0.144625  ?        ?         
1 1 1 53 22 1  o 3.90661  0.0881549 15.3085      0.688773 15.2087      0.924794 15.4329      1.03217  3.88894  0.1189    3.915    0.131823  
1 1 1 53 22 2  o 1.82164  0.149626  3.34787      0.545131 3.05456      0.744811 3.68625      0.800008 1.73187  0.215031  1.90331  0.210163  
1 1 1 53 22 3  o 1.06847  0.22754   1.20837      0.471765 1.90158      0.668682 0.521363     0.665681 1.34013  0.258719  0.808947 0.303783  
1 1 1 53 22 4  o 0.70698  0.262703  0.403526     0.495223 0.36536      0.641342 0.459886     0.779362 0.749796 0.293989  0.82798  0.324197  
1 1 1 53 22 5  o 1.99584  0.163957  4.02647      0.654463 4.46724      0.997988 3.69389      0.866896 2.08948  0.238813  1.90195  0.227896  
1 1 1 53 22 6  o 1.33648  0.254789  1.89092      0.656581 1.05466      1.00513  2.51336      0.867162 1.05677  0.376393  1.53467  0.293018  
1 1 1 53 22 7  o 3.21525  0.110744  10.3952      0.712138 10.4947      1.05789  10.3128      0.963013 3.21993  0.164272  3.19495  0.150708  
1 1 1 53 22 8  o 2.16274  0.151535  4.73072      0.655461 4.47574      0.943267 4.96881      0.911475 2.08957  0.225709  2.20604  0.206586  
1 1 1 53 22 9  o 4.95939  0.0918549 24.7         0.911088 25.8314      1.31904  23.6676      1.25994  5.06095  0.130315  4.84444  0.13004   
1 1 1 53 22 10 o 0.814076 0.299898  0.57057      0.642822 1.45815      0.941262 -0.205239    0.880002 1.16507  0.364252  0.709742 0.313942  
1 1 1 53 22 11 o 2.5122   0.140262  6.37954      0.704733 5.67201      1.0186   7.02918      0.976049 2.35129  0.216604  2.6263   0.185822  
1 1 1 53 22 12 o 0.53571  0.251441  -0.676861    0.689034 -1.40345     1.01476  -0.0552794   0.938575 0.598075 0.287905  0.759537 0.330564  
1 1 1 53 22 13 o 1.91704  0.190565  3.75472      0.73064  3.21931      1.04692  4.26311      1.02016  1.72049  0.316065  2.02665  0.251687  
1 1 1 53 22 14 o 1.66814  0.216617  2.86437      0.722694 2.39771      1.03952  3.30093      1.00542  1.46299  0.357759  1.7723   0.283648  
1 1 1 53 22 15 o 2.42094  0.16264   5.96459      0.787485 5.33417      1.11091  6.60131      1.11646  2.26441  0.245298  2.52837  0.220786  
1 1 1 53 22 16 o 0.934282 0.318808  0.892369     0.715116 0.83966      1.00101  0.947309     1.02197  0.975346 0.370837  1.00851  0.376859  
1 1 1 53 22 17 o 0.611133 0.275206  -0.275382    0.707949 0.446664     0.998877 -1.00416     1.00352  0.877259 0.358537  0.633226 0.298896  
1 1 1 53 22 18 o 2.90157  0.135583  8.53986      0.786803 8.21641      1.10134  8.87702      1.12444  2.82481  0.19494   2.93771  0.19138   
1 1 1 53 22 19 o 2.24607  0.175081  5.18037      0.786488 6.53557      1.09038  3.71066      1.13551  2.50509  0.217633  1.85164  0.306623  
1 1 1 53 22 20 o 1.699    0.226196  3.02794      0.768614 4.13717      1.07423  1.8644       1.10021  1.96514  0.27332   1.26105  0.393718  
1 1 1 53 22 21 f 1.13269  0.322841  1.4787       0.767079 0.686217     1.02119  2.50486      1.16204  0.916893 0.367218  1.43529  0.393303  
1 1 1 53 22 22 o 2.20484  0.177208  5.0494       0.781431 3.64828      1.03968  6.86857      1.18468  1.821    0.285471  2.53716  0.233465  
1 1 1 53 22 23 o 1.36619  0.288256  2.13393      0.763105 2.27895      1.03341  1.96003      1.13166  1.36304  0.369743  1.25178  0.400511  
1 1 1 53 22 24 o 1.12846  0.332906  1.54174      0.802083 2.26698      1.07674  0.637593     1.20224  1.33242  0.383378  0.915215 0.385318  
1 1 1 53 22 25 o 0.93949  0.347231  1.02224      0.862864 1.47926      1.16904  0.475306     1.27889  1.07625  0.402888  0.882873 0.385051  
1 1 1 53 22 26 o 1.03713  0.341391  1.35608      0.820012 0.664076     1.13552  2.11025      1.18543  0.881127 0.372887  1.22831  0.410468  
1 1 1 53 22 27 o 0.936408 0.350603  1.13114      0.885384 0.190073     1.27011  2.0207       1.23487  0.7991   0.363288  1.15029  0.416445  
1 1 1 53 22 28 o 0.558608 0.270263  -0.944714    0.92809  -2.04785     1.37217  -0.0145321   1.26002  0.601345 0.298551  0.755283 0.350015  
1 1 1 53 22 29 o 0.917514 0.355003  1.29714      0.928774 0.803013     1.32074  1.78055      1.30635  0.829444 0.374575  0.992677 0.408583  
1 1 1 53 22 30 o 1.20743  0.3838    2.52286      1.04044  1.04623      1.55156  3.72942      1.40252  0.836268 0.387874  1.3547   0.446474  
1 1 1 53 22 31 o 1.01153  0.388242  2.13374      1.10571  3.20169      1.54998  1.02712      1.5778   1.07549  0.4442    0.784551 0.372307  
1 1 1 53 23 0  o 1.37723  0.335792  2.23555      0.800574 2.23555      0.800574 2.23555      0.800574 1.44656  0.208258  ?        ?         
1 1 1 53 23 1  o 3.23073  0.0985847 10.4789      0.637001 10.2219      0.880795 10.7608      0.922352 3.18465  0.138288  3.26698  0.141163  
1 1 1 53 23 2  o 3.8111   0.0831669 14.5661      0.633915 14.219       0.871883 14.9554      0.923309 3.76025  0.115934  3.85567  0.119734  
1 1 1 53 23 3  o 3.65065  0.0805245 13.3641      0.587933 14.9247      0.877416 12.0924      0.792048 3.85254  0.113875  3.46771  0.114203  
1 1 1 53 23 4  o 3.30706  0.109045  10.9945      0.721234 8.99219      1.0347   12.8868      1.00587  2.97872  0.173681  3.57406  0.140718  
1 1 1 53 23 5  f 3.51367  0.101092  12.4052      0.710409 13.6013      1.0532   11.4066      0.962283 3.67033  0.143475  3.36126  0.143143  
1 1 1 53 23 6  o 3.49751  0.104136  12.2985      0.728431 13.7464      1.11222  11.211       0.963931 3.68698  0.150831  3.33112  0.144686  
1 1 1 53 23 7  o 3.48421  0.104932  12.2069      0.731212 12.5413      1.0723   11.9163      0.999697 3.52099  0.152272  3.43383  0.145566  
1 1 1 53 23 8  o 1.5369   0.210677  2.4154       0.647581 3.16134      0.944311 1.75315      0.889758 1.7458   0.270452  1.26478  0.343082  
1 1 1 53 23 9  o 2.44082  0.138342  6.01845      0.675337 4.81799      0.978775 7.10928      0.93301  2.1656   0.225982  2.64439  0.176413  
1 1 1 53 23 10 o 2.99019  0.122363  9.01718      0.731775 9.87775      1.07606  8.27677      0.998105 3.11652  0.172638  2.85215  0.174974  
1 1 1 53 23 11 o 2.17876  0.163841  4.82121      0.713939 3.17021      1.00365  6.51237      1.01578  1.73875  0.288612  2.52227  0.201364  
1 1 1 53 23 12 o 1.3154   0.265674  1.86151      0.674465 2.39401      0.950065 1.32046      0.957656 1.47314  0.330616  1.11613  0.368932  
1 1 1 53 23 13 o 0.744235 0.302088  0.288941     0.704217 -0.0352106   1.01294  0.59218      0.979718 0.788824 0.343362  0.913245 0.361731  
1 1 1 53 23 14 o 1.53838  0.236549  2.45539      0.727806 1.41938      1.02122  3.52472      1.03752  1.14773  0.380979  1.82869  0.283679  
1 1 1 53 23 15 o 3.38013  0.119175  11.5446      0.805657 11.8068      1.10858  11.2512      1.17287  3.40319  0.162874  3.31651  0.176823  
1 1 1 53 23 16 o 2.99774  0.129223  9.0998       0.774751 9.11332      1.08833  9.0859       1.10314  2.98152  0.182513  2.97589  0.185347  
1 1 1 53 23 17 o 2.76138  0.142961  7.74529      0.78954  7.38512      1.09511  8.13515      1.13937  2.67466  0.204719  2.80798  0.20288   
1 1 1 53 23 18 o 2.4431   0.161683  6.10509      0.790014 5.84495      1.06715  6.42054      1.17513  2.3658   0.225538  2.47384  0.237512  
1 1 1 53 23 19 o 3.86584  0.120706  15.145       0.933259 16.7969      1.29186  13.3419      1.3497   4.05128  0.159438  3.59481  0.187729  
1 1 1 53 23 20 o 0.684833 0.296673  0.0333204    0.749413 0.842687     1.03904  -0.84423     1.08192  0.961009 0.37473   0.672638 0.315596  
1 1 1 53 23 21 o 2.9743   0.146193  9.07559      0.869647 9.15742      1.16163  8.97123      1.31173  2.95816  0.196344  2.90734  0.22559   
1 1 1 53 23 22 o 0.927635 0.326996  0.932233     0.756863 0.749046     1.01051  1.16632      1.1423   0.918878 0.366296  1.04041  0.395978  
1 1 1 53 23 23 o 1.16693  0.337638  1.6468       0.832863 1.20269      1.13864  2.15783      1.22141  1.03454  0.394877  1.28827  0.416484  
1 1 1 53 23 24 o 1.46691  0.301998  2.54854      0.855678 3.21423      1.17976  1.80964      1.24293  1.5836   0.377332  1.16671  0.418255  
1 1 1 53 23 25 f 1.22165  0.338284  1.88519      0.854198 1.74426      1.22818  2.01723      1.18882  1.13514  0.414885  1.20985  0.411055  
1 1 1 53 23 26 o 1.83043  0.249388  3.82381      0.912975 3.88712      1.30025  3.76225      1.28222  1.67734  0.393885  1.64882  0.393698  
1 1 1 53 23 27 o 0.53062  0.259251  -1.18395     0.911554 -1.69166     1.38604  -0.796972    1.21007  0.630917 0.310749  0.660205 0.316977  
1 1 1 53 23 28 o 0.802634 0.339698  0.677292     0.942506 1.15613      1.34367  0.213492     1.3224   0.923916 0.398705  0.785054 0.361803  
1 1 1 53 23 29 o 0.75039  0.331476  0.592427     0.976588 0.733004     1.39556  0.457527     1.36709  0.806429 0.371662  0.771424 0.360213  
1 1 1 53 23 30 o 1.18192  0.390904  2.49731      1.07512  2.29524      1.49232  2.71536      1.55025  1.01065  0.427577  1.07156  0.443507  
1 1 1 53 24 0  o 4.28663  0.122417  18.487       1.04758  18.487       1.04758  18.487       1.04758  4.29318  0.0863493 ?        ?         
1 1 1 53 24 1  o 4.56728  0.0819469 20.9288      0.748548 20.3425      1.0534   21.5269      1.06389  4.49524  0.117168  4.62481  0.11502   
1 1 1 53 24 2  o 1.62346  0.159012  2.6687       0.516297 3.26575      0.71758  2.02789      0.743414 1.78951  0.200497  1.37489  0.280068  
1 1 1 53 24 3  o 3.59453  0.0806563 12.9626      0.579843 13.241       0.855478 12.726       0.788639 3.62634  0.117953  3.55653  0.110872  
1 1 1 53 24 4  o 3.05031  0.114573  9.36563      0.698965 7.71038      1.01457  10.861       0.964315 2.75352  0.184232  3.27794  0.147092  
1 1 1 53 24 5  o 3.63037  0.0990368 13.2449      0.719081 13.2298      1.0569   13.258       0.981181 3.61786  0.146068  3.62444  0.135356  
1 1 1 53 24 6  o 2.83708  0.117185  8.10541      0.664928 7.81149      0.960711 8.37568      0.921233 2.77373  0.17318   2.87529  0.160198  
1 1 1 53 24 7  o 6.34479  0.0871137 40.4187      1.10544  39.7717      1.53868  41.1088      1.58919  6.28142  0.122479  6.38532  0.124441  
1 1 1 53 24 8  o 4.10825  0.0970174 16.9664      0.797145 17.1224      1.14702  16.8207      1.10863  4.11559  0.13935   4.08025  0.135853  
1 1 1 53 24 9  o 0.958015 0.305204  0.96034      0.657671 1.25321      0.949854 0.690641     0.911506 1.0961   0.367426  0.923256 0.353041  
1 1 1 53 24 10 o 0.555565 0.256741  -0.500719    0.671848 0.970179     0.960803 -1.90806     0.939816 1.0126   0.367264  0.518157 0.255201  
1 1 1 53 24 11 o 3.24615  0.118148  10.6273      0.767054 10.6292      1.07643  10.6253      1.09332  3.23282  0.166485  3.23135  0.169174  
1 1 1 53 24 12 o 2.29087  0.157078  5.33073      0.71969  4.24543      1.02486  6.38661      1.01087  2.01901  0.253804  2.49443  0.202626  
1 1 1 53 24 13 o 1.12068  0.317558  1.38173      0.74428  0.555944     1.0744   2.14367      1.03202  0.92817  0.374612  1.37724  0.367664  
1 1 1 53 24 14 o 0.631645 0.279752  -0.162287    0.701754 -0.410524    0.987155 0.0913282    0.997791 0.709771 0.322005  0.802667 0.344929  
1 1 1 53 24 15 o 3.44923  0.121934  12.0308      0.841157 11.8252      1.16421  12.2554      1.21667  3.40133  0.17114   3.46058  0.17579   
1 1 1 53 24 16 o 1.42802  0.255528  2.1976       0.703424 2.19049      0.96798  2.20556      1.02396  1.39043  0.348459  1.39007  0.364017  
1 1 1 53 24 17 o 0.883417 0.321038  0.748481     0.734474 0.622436     1.0205   0.883938     1.05791  0.917811 0.367299  0.989439 0.379761  
1 1 1 53 24 18 o 1.22947  0.310877  1.70205      0.765301 1.31888      1.05722  2.12387      1.10925  1.10334  0.386713  1.34604  0.389716  
1 1 1 53 24 19 o 1.24601  0.308878  1.76874      0.766866 2.06135      1.07794  1.46888      1.09121  1.31538  0.385257  1.13697  0.393414  
1 1 1 53 24 20 o 1.54725  0.25251   2.5741       0.781394 1.76855      1.09126  3.42173      1.11939  1.21253  0.393827  1.71753  0.337911  
1 1 1 53 24 21 o 1.16017  0.324009  1.57571      0.780343 2.42272      1.11606  0.765584     1.09149  1.40306  0.385874  0.940956 0.378486  
1 1 1 53 24 22 o 2.20475  0.191695  5.11344      0.845278 4.43471      1.12863  5.98048      1.27563  1.99612  0.282705  2.32494  0.274337  
1 1 1 53 24 23 o 1.68058  0.253917  3.12019      0.853454 4.23645      1.2052   1.99738      1.20874  1.90812  0.315809  1.22812  0.414483  
1 1 1 53 24 24 o 0.516575 0.250956  -1.1302      0.819638 -1.96053     1.1531   -0.28225     1.16528  0.568334 0.280239  0.741299 0.340819  
1 1 1 53 24 25 f 0.68754  0.305747  0.0283428    0.849189 -0.0854312   1.20366  0.141093     1.19823  0.767873 0.350309  0.798658 0.358934  
1 1 1 53 24 26 o 1.34789  0.364393  2.51849      1.00583  4.35702      1.45095  0.817609     1.39558  1.70669  0.425963  0.904874 0.398368  
1 1 1 53 24 27 o 0.760304 0.328067  0.465562     0.909557 0.865275     1.26614  0.0393255    1.30747  0.881522 0.383801  0.769328 0.356532  
1 1 1 53 24 28 o 0.920467 0.352808  1.30917      0.912064 0.818419     1.25565  1.85729      1.32701  0.82506  0.369203  1.00189  0.411992  
1 1 1 53 24 29 f 1.21325  0.377112  2.49131      1.01086  3.42958      1.45771  1.62215      1.403    1.25375  0.452605  0.915876 0.401337  
1 1 1 53 24 30 o 1.25926  0.387396  2.95272      1.07045  5.20698      1.54035  0.847177     1.48867  1.52807  0.463632  0.765924 0.362602  
1 1 1 53 25 0  o 2.7648   0.166474  7.77983      0.912889 7.77983      0.912889 7.77983      0.912889 2.77716  0.116686  ?        ?         
1 1 1 53 25 1  o 4.10966  0.0856377 16.9523      0.703883 17.1275      1.03268  16.8002      0.961961 4.12213  0.125261  4.08442  0.11776   
1 1 1 53 25 2  o 3.10442  0.0909203 9.67804      0.56451  10.2624      0.800634 9.10033      0.796062 3.19071  0.125464  3.00324  0.132534  
1 1 1 53 25 3  o 1.45469  0.16612   2.14631      0.483305 2.1429       0.627246 2.15129      0.758223 1.44635  0.216838  1.41682  0.277474  
1 1 1 53 25 4  o 2.36622  0.14492   5.66115      0.685823 4.22862      0.996426 6.95068      0.945387 2.02411  0.24614   2.61385  0.180842  
1 1 1 53 25 5  o 4.29823  0.0900022 18.5562      0.7737   18.4615      1.11525  18.6441      1.07426  4.27687  0.130381  4.29959  0.124925  
1 1 1 53 25 6  o 1.89835  0.171549  3.6636       0.651322 3.17562      0.947984 4.09991      0.896397 1.74592  0.271486  1.99649  0.224493  
1 1 1 53 25 7  f 4.64795  0.090734  21.7057      0.843454 23.3738      1.2256   20.2049      1.16255  4.81217  0.127343  4.47324  0.129945  
1 1 1 53 25 8  o 3.37351  0.112661  11.4652      0.760123 9.78877      1.04352  13.3602      1.10945  3.10306  0.168145  3.63036  0.152802  
1 1 1 53 25 9  o 1.30789  0.271945  1.84657      0.687738 2.57825      0.990869 1.16645      0.955322 1.52873  0.333325  1.06832  0.368254  
1 1 1 53 25 10 o 2.97293  0.12468   8.92367      0.741332 7.77193      1.04772  10.0784      1.04909  2.75674  0.190029  3.14732  0.166663  
1 1 1 53 25 11 o 1.37048  0.266441  2.02323      0.704241 1.25465      1.00679  2.75957      0.985446 1.09815  0.378092  1.58386  0.322283  
1 1 1 53 25 12 o 2.09674  0.175901  4.4904       0.737637 4.96981      1.05284  4.02818      1.03378  2.18591  0.240823  1.96047  0.263656  
1 1 1 53 25 13 o 0.582587 0.268064  -0.474006    0.722468 0.0268145    1.02346  -0.971445    1.02     0.799127 0.346449  0.644361 0.303326  
1 1 1 53 25 14 o 1.15359  0.298034  1.472        0.692319 2.20075      0.967514 0.707313     0.991084 1.39496  0.347638  0.937303 0.365879  
1 1 1 53 25 15 o 4.05274  0.119822  16.6062      0.971215 15.4627      1.47356  17.4845      1.2914   3.8787   0.189956  4.14285  0.155859  
1 1 1 53 25 16 o 1.67294  0.211022  2.90594      0.706052 2.83938      0.966062 2.98226      1.03446  1.59712  0.313616  1.62995  0.328855  
1 1 1 53 25 17 o 1.62529  0.228133  2.76319      0.741566 3.24768      1.02218  2.22487      1.07747  1.70976  0.310363  1.38109  0.378842  
1 1 1 53 25 18 o 1.94222  0.20225   3.93078      0.785628 4.52074      1.10841  3.33517      1.11371  2.05108  0.2702    1.70768  0.338113  
1 1 1 53 25 19 o 1.86611  0.206952  3.65497      0.772392 4.35335      1.07419  2.90735      1.11141  2.00474  0.267914  1.56551  0.361927  
1 1 1 53 25 20 o 2.20195  0.192582  5.07233      0.848112 6.09693      1.24841  4.19417      1.15576  2.36896  0.263493  1.94384  0.297289  
1 1 1 53 25 21 o 2.25895  0.186989  5.34527      0.844794 5.19763      1.2222   5.48034      1.16902  2.16523  0.282233  2.23926  0.261027  
1 1 1 53 25 22 o 0.807415 0.325025  0.536991     0.805817 0.0912192    1.14979  0.967307     1.12968  0.80667  0.357574  0.971892 0.387335  
1 1 1 53 25 23 o 0.532202 0.257242  -1.04203     0.833171 -0.83295     1.15789  -1.26652     1.19979  0.672998 0.319166  0.641686 0.309908  
1 1 1 53 25 24 o 2.28033  0.195905  5.5875       0.893459 6.0461       1.25616  5.11796      1.27106  2.29769  0.273352  2.08157  0.305313  
1 1 1 53 25 25 o 0.966803 0.360985  1.21612      0.937322 0.74386      1.4154   1.58501      1.25093  0.907925 0.400319  1.05368  0.411106  
1 1 1 53 25 26 o 1.02882  0.373105  1.53239      0.991583 2.33937      1.40063  0.721524     1.404    1.17473  0.440747  0.877499 0.391594  
1 1 1 53 25 27 o 1.16602  0.358423  2.00897      0.916575 1.91406      1.26032  2.11551      1.3354   1.06356  0.41312   1.09701  0.425426  
1 1 1 53 25 28 o 1.39812  0.349291  2.95805      0.974906 3.399        1.38607  2.52633      1.3715   1.29771  0.443847  1.09834  0.430066  
1 1 1 53 25 29 o 0.730365 0.329611  0.513476     1.021    0.639312     1.50686  0.406672     1.38824  0.786133 0.369659  0.753194 0.354357  
1 1 1 53 26 0  f 2.2303   0.207601  5.15971      0.907583 5.15971      0.907583 5.15971      0.907583 2.25146  0.143867  ?        ?         
1 1 1 53 26 1  o 2.32194  0.126892  5.43989      0.58927  5.45831      0.832659 5.42142      0.83405  2.31539  0.17981   2.30734  0.180739  
1 1 1 53 26 2  o 3.93622  0.0883904 15.5622      0.695848 16.0121      0.960962 15.0662      1.00895  3.98512  0.120569  3.86288  0.130595  
1 1 1 53 26 3  f 1.72344  0.205815  3.0419       0.709417 2.86488      0.999473 3.22164      1.00711  1.62183  0.31951   1.75401  0.287087  
1 1 1 53 26 4  o 2.53853  0.139584  6.51626      0.708674 6.37506      1.00097  6.65817      1.00347  2.49612  0.200505  2.55206  0.1966    
1 1 1 53 26 5  o 0.45625  0.220918  -0.998197    0.624867 -0.994618    0.90998  -1.00139     0.859565 0.599008 0.283541  0.574987 0.273776  
1 1 1 53 26 6  o 2.12073  0.158319  4.5639       0.671504 3.55402      0.955919 5.54771      0.943502 1.84914  0.258476  2.32734  0.2027    
1 1 1 53 26 7  o 2.62432  0.134542  6.96202      0.706159 7.77095      1.01285  6.19691      0.985044 2.75971  0.183507  2.45975  0.200233  
1 1 1 53 26 8  o 2.32537  0.149192  5.48161      0.693851 5.32198      0.984631 5.63907      0.977911 2.27399  0.216499  2.34311  0.208678  
1 1 1 53 26 9  o 3.40027  0.113033  11.6562      0.768684 10.8101      1.08449  12.5105      1.08969  3.25894  0.166387  3.50988  0.155232  
1 1 1 53 26 10 o 3.35407  0.11405   11.3475      0.76506  12.2128      1.10916  10.5621      1.05666  3.46513  0.160047  3.22109  0.164023  
1 1 1 53 26 11 o 0.790283 0.309756  0.450891     0.711853 0.299522     1.00182  0.605251     1.01167  0.84839  0.354162  0.920776 0.366678  
1 1 1 53 26 12 o 2.32363  0.158059  5.5001       0.73454  5.19682      1.02033  5.82638      1.0583   2.23667  0.228091  2.37014  0.223258  
1 1 1 53 26 13 o 3.97738  0.11352   15.9743      0.903024 16.0598      1.3382   15.9027      1.22362  3.9648   0.16876   3.95201  0.15481   
1 1 1 53 26 14 o 1.71182  0.209164  3.02918      0.716103 1.98912      0.992902 4.15663      1.03378  1.32114  0.364233  1.98755  0.260064  
1 1 1 53 26 15 o 2.57457  0.145805  6.75015      0.750769 5.83532      1.0107   7.87637      1.1214   2.36969  0.213255  2.75784  0.203312  
1 1 1 53 26 16 o 1.09501  0.313528  1.34195      0.721868 0.964038     0.976525 1.79727      1.07187  0.994197 0.369004  1.24703  0.38847   
1 1 1 53 26 17 o 1.87321  0.199605  3.65116      0.747804 2.75057      1.03533  4.63346      1.08128  1.54404  0.344162  2.08282  0.25957   
1 1 1 53 26 18 o 2.41952  0.17699   6.06361      0.856459 6.68443      1.28644  5.5694       1.14781  2.49199  0.258116  2.27854  0.251874  
1 1 1 53 26 19 o 0.84365  0.330359  0.615762     0.809305 0.806928     1.20679  0.459518     1.09101  0.973675 0.395375  0.877271 0.368093  
1 1 1 53 26 20 o 2.28254  0.182162  5.43935      0.831582 5.71054      1.22975  5.21087      1.1288   2.28183  0.269466  2.18778  0.257977  
1 1 1 53 26 21 o 2.16773  0.194178  4.96725      0.841849 6.30201      1.23545  3.81031      1.15022  2.39294  0.258146  1.79063  0.333611  
1 1 1 53 26 22 o 0.907207 0.336497  0.915209     0.811787 0.549943     1.18706  1.2361       1.11263  0.883276 0.377781  1.01939  0.389978  
1 1 1 53 26 23 o 0.807678 0.332536  0.542068     0.865569 0.397278     1.23208  0.683165     1.21627  0.856913 0.375794  0.903367 0.384258  
1 1 1 53 26 24 o 1.8077   0.266247  3.78158      0.96259  4.23484      1.35829  3.32428      1.36434  1.75705  0.396     1.49807  0.431718  
1 1 1 53 26 25 o 0.627837 0.292528  -0.320041    0.895411 -0.337619    1.31016  -0.304635    1.22657  0.73401  0.345015  0.719264 0.337212  
1 1 1 53 26 26 o 0.638001 0.298118  -0.291906    0.938434 -0.517126    1.28352  -0.0332361   1.37554  0.699484 0.33356   0.76922  0.359999  
1 1 1 53 26 27 o 1.46282  0.325501  3.01609      0.927404 3.22807      1.29342  2.79179      1.33046  1.32735  0.428532  1.19824  0.432415  
1 1 1 53 26 28 f 1.20178  0.369203  2.38674      0.972725 1.54835      1.36375  3.25503      1.38785  0.909688 0.397175  1.24855  0.442527  
1 1 1 53 26 29 o 0.735596 0.337276  0.736055     1.13259  1.58492      1.53685  -0.272973    1.67558  0.831821 0.385895  0.682343 0.336781  
1 1 1 53 27 0  o 0.720458 0.401861  0.766974     0.850453 0.766974     0.850453 0.766974     0.850453 0.707667 0.352792  ?        ?         
1 1 1 53 27 1  o 2.16502  0.140488  4.74166      0.608319 4.67757      0.864599 4.80449      0.85605  2.13721  0.202273  2.1672   0.197501  
1 1 1 53 27 2  o 4.93493  0.0768716 24.4384      0.758712 24.0261      1.05977  24.8719      1.0867   4.88472  0.108478  4.96968  0.109333  
1 1 1 53 27 3  o 1.46609  0.223633  2.21329      0.655731 2.29531      0.972247 2.14484      0.888137 1.43894  0.34234   1.39603  0.324055  
1 1 1 53 27 4  o 3.52915  0.107801  12.5419      0.760893 13.5697      1.10682  11.621       1.04774  3.65852  0.151266  3.38457  0.154782  
1 1 1 53 27 5  o 1.26012  0.264197  1.71219      0.644511 1.48121      0.927569 1.92781      0.896193 1.16476  0.361081  1.31816  0.338277  
1 1 1 53 27 6  o 1.21257  0.276231  1.59629      0.655164 1.60486      0.940535 1.58821      0.913155 1.20576  0.361575  1.19982  0.355562  
1 1 1 53 27 7  o 2.94175  0.121566  8.73574      0.715232 8.24879      1.02456  9.19861      0.998907 2.84245  0.180225  3.00628  0.166137  
1 1 1 53 27 8  o 1.94846  0.176934  3.87522      0.689497 2.81437      0.965531 4.97917      0.98495  1.60352  0.312208  2.195    0.224362  
1 1 1 53 27 9  o 1.63651  0.213004  2.76265      0.697165 2.55065      1.00908  2.95625      0.964328 1.51058  0.34192   1.64527  0.304515  
1 1 1 53 27 10 o 1.11678  0.305815  1.37801      0.702853 0.953257     0.997014 1.79764      0.990981 1.00506  0.372891  1.26134  0.369379  
1 1 1 53 27 11 o 1.00684  0.315839  1.0958       0.706893 0.153277     0.989657 2.07756      1.01005  0.811568 0.345956  1.3509   0.365135  
1 1 1 53 27 12 o 2.01193  0.177679  4.14527      0.714953 3.92664      1.02154  4.35518      1.00097  1.93068  0.264553  2.04059  0.245266  
1 1 1 53 27 13 o 2.1633   0.171036  4.78754      0.740004 4.29299      1.01969  5.33779      1.07559  2.02199  0.252152  2.26058  0.237901  
1 1 1 53 27 14 o 3.84122  0.113964  14.9224      0.87552  13.8826      1.24046  15.9545      1.23589  3.68074  0.168507  3.9525   0.156343  
1 1 1 53 27 15 o 0.906295 0.320247  0.825955     0.726335 1.71802      0.959214 -0.372985    1.11203  1.22402  0.364764  0.75592  0.342414  
1 1 1 53 27 16 o 2.31114  0.168567  5.49561      0.779163 5.79551      1.05779  5.13989      1.15204  2.34804  0.22525   2.19206  0.262776  
1 1 1 53 27 17 o 1.57088  0.254271  2.6489       0.79886  2.58435      1.17772  2.70392      1.08722  1.45562  0.394655  1.50815  0.36406   
1 1 1 53 27 18 o 0.975223 0.334217  1.05426      0.785912 0.37797      1.16263  1.62331      1.06648  0.879705 0.374987  1.16564  0.389329  
1 1 1 53 27 19 o 1.931    0.210616  3.94492      0.813402 1.46583      1.19743  6.06897      1.10837  1.11921  0.409601  2.38034  0.232818  
1 1 1 53 27 20 o 1.12405  0.326617  1.5102       0.777759 2.09272      1.16369  1.0399       1.0456   1.27619  0.40592   0.984578 0.377645  
1 1 1 53 27 21 o 0.752707 0.315772  0.339109     0.802659 -0.55998     1.19218  1.08457      1.08556  0.720462 0.336403  0.984911 0.383236  
1 1 1 53 27 22 o 0.696153 0.308945  0.0168759    0.861673 1.04822      1.23206  -0.970559    1.20555  0.979088 0.398848  0.671686 0.321008  
1 1 1 53 27 23 o 1.23284  0.339655  1.95209      0.863783 0.857499     1.22067  3.04992      1.22248  0.92454  0.388706  1.48429  0.40193   
1 1 1 53 27 24 o 1.06858  0.351935  1.56256      0.871448 3.02633      1.20433  -0.0461872   1.26256  1.43685  0.402922  0.764749 0.352855  
1 1 1 53 27 25 o 0.681968 0.310202  0.000408764  0.928739 1.98602      1.37146  -1.68144     1.2622   1.09649  0.429913  0.597695 0.294354  
1 1 1 53 27 26 o 0.605069 0.285063  -0.355847    0.904461 -0.136727    1.27092  -0.580703    1.28745  0.715973 0.337488  0.674504 0.324597  
1 1 1 53 27 27 o 0.946003 0.371295  1.55874      1.02351  1.63622      1.45852  1.48356      1.43665  0.917063 0.405097  0.895622 0.39801   
1 1 1 53 27 28 f 1.09749  0.391916  2.27083      1.09038  2.81276      1.50071  1.66482      1.58696  1.08369  0.440615  0.894328 0.406448  
1 1 1 53 28 0  o 2.1561   0.215429  4.85029      0.9077   4.85029      0.9077   4.85029      0.9077   2.1799   0.14881   ?        ?         
1 1 1 53 28 1  o 1.35296  0.213688  1.88232      0.578223 1.8425       0.825098 1.92076      0.810556 1.29191  0.320474  1.32174  0.311384  
1 1 1 53 28 2  o 2.48522  0.103691  6.21772      0.515391 6.04916      0.69997  6.41732      0.761679 2.44375  0.143216  2.51513  0.151419  
1 1 1 53 28 3  o 2.86537  0.124685  8.2908       0.71454  9.61214      1.07139  7.23223      0.958958 3.07074  0.174451  2.66193  0.180125  
1 1 1 53 28 4  o 3.61354  0.109964  13.1587      0.794716 12.9818      1.13573  13.3285      1.11243  3.57403  0.158887  3.62338  0.153507  
1 1 1 53 28 5  o 4.00714  0.097835  16.1576      0.784077 16.314       1.12852  16.0117      1.09018  4.01308  0.140605  3.97701  0.13706   
1 1 1 53 28 6  o 1.14042  0.29269   1.426        0.670878 2.02053      0.981686 0.905038     0.918949 1.3404   0.358929  0.98026  0.358817  
1 1 1 53 28 7  o 2.73958  0.129008  7.59253      0.706856 7.27334      1.02461  7.8824       0.976417 2.66276  0.192397  2.77779  0.175754  
1 1 1 53 28 8  o 3.19436  0.120164  10.3119      0.767694 10.1256      1.10121  10.4881      1.07079  3.14709  0.174957  3.20604  0.166997  
1 1 1 53 28 9  o 1.74218  0.203585  3.12942      0.709365 3.72807      1.03035  2.58997      0.978076 1.87875  0.274212  1.52291  0.330402  
1 1 1 53 28 10 o 2.05792  0.175015  4.33329      0.720332 5.41929      1.03811  3.32485      1.00035  2.28363  0.227293  1.77063  0.282483  
1 1 1 53 28 11 o 5.01816  0.103792  25.39        1.04169  24.2626      1.42602  26.6799      1.52532  4.88592  0.145932  5.12184  0.148904  
1 1 1 53 28 12 o 1.59789  0.208882  2.64377      0.667543 3.6753       0.92108  1.50252      0.968827 1.87167  0.246059  1.15932  0.370543  
1 1 1 53 28 13 o 1.01787  0.312993  1.14122      0.698864 0.469162     0.936028 1.98778      1.05054  0.857458 0.348199  1.30891  0.37936   
1 1 1 53 28 14 o 3.36749  0.11959   11.486       0.805437 13.7988      1.09961  8.80864      1.18309  3.67778  0.149494  2.91425  0.202983  
1 1 1 53 28 15 o 1.2544   0.327632  1.80866      0.830869 1.20134      1.19285  2.38099      1.15798  1.07907  0.406371  1.40896  0.395089  
1 1 1 53 28 16 o 2.11931  0.192257  4.68016      0.814903 6.08773      1.20301  3.48666      1.10776  2.38217  0.252503  1.74233  0.329888  
1 1 1 53 28 17 o 1.67663  0.236851  3.00431      0.794221 1.49025      1.16893  4.30262      1.08245  1.13205  0.405634  1.98619  0.272493  
1 1 1 53 28 18 o 2.53219  0.162879  6.6323       0.82488  5.09837      1.18916  8.0549       1.14519  2.15377  0.276065  2.76199  0.207313  
1 1 1 53 28 19 o 2.39717  0.181809  6.02096      0.871656 6.47299      1.26908  5.61728      1.1993   2.42742  0.261404  2.25804  0.265561  
1 1 1 53 28 20 f 1.82685  0.224997  3.6122       0.822073 2.13952      1.23191  4.79447      1.10378  1.26491  0.418438  2.0723   0.266319  
1 1 1 53 28 21 f 0.798821 0.328234  0.516982     0.84165  2.96719      1.2583   -1.46674     1.1322   1.47518  0.411263  0.601561 0.292976  
1 1 1 53 28 22 o 0.689516 0.305474  0.0380939    0.837583 -1.04448     1.21593  1.01562      1.15543  0.663658 0.318418  0.956493 0.387475  
1 1 1 53 28 23 o 1.87765  0.235107  3.98994      0.882897 4.4479       1.24198  3.52207      1.25534  1.8487   0.34866   1.57706  0.39779   
1 1 1 53 28 24 o 1.76181  0.260862  3.67956      0.919181 3.67073      1.32097  3.68784      1.27984  1.55176  0.416737  1.57613  0.404113  
1 1 1 53 28 25 o 1.03814  0.359268  1.58138      0.910034 1.37561      1.32393  1.76568      1.25297  0.960386 0.404343  1.04202  0.410232  
1 1 1 53 28 26 o 0.621461 0.290133  -0.115246    0.886356 -0.708026    1.24334  0.497316     1.26391  0.637955 0.309661  0.769068 0.354159  
1 1 1 53 28 27 o 0.669626 0.313436  0.0212668    1.04418  -0.750845    1.35388  1.15478      1.64041  0.650345 0.317385  0.857612 0.398177  
1 1 1 53 28 28 o 0.683667 0.322398  0.419809     1.16218  0.512753     1.6002   0.316061     1.69066  0.713793 0.347755  0.704217 0.346561  
1 1 1 53 29 0  o 6.21329  0.114862  38.8142      1.42624  38.8142      1.42624  38.8142      1.42624  6.22169  0.0810783 ?        ?         
1 1 1 53 29 1  o 2.10895  0.146986  4.51192      0.619971 4.09652      0.896333 4.89294      0.858437 1.99047  0.225156  2.18393  0.196535  
1 1 1 53 29 2  o 2.62439  0.0961348 6.93035      0.504592 7.33376      0.701412 6.49763      0.726447 2.69273  0.130242  2.53153  0.14348   
1 1 1 53 29 3  o 2.84719  0.123858  8.19163      0.705293 9.31137      1.08404  7.36972      0.928743 3.01831  0.179577  2.68739  0.172797  
1 1 1 53 29 4  o 2.76159  0.131268  7.71838      0.725017 9.77107      1.07454  6.00292      0.982313 3.09341  0.173682  2.41541  0.203343  
1 1 1 53 29 5  o 2.37147  0.145829  5.71009      0.691657 6.43205      1.01849  5.09216      0.942252 2.49912  0.20377   2.22095  0.212129  
1 1 1 53 29 6  o 2.30293  0.151039  5.39354      0.695666 4.4709       1.02291  6.18748      0.948893 2.0681   0.247307  2.4537   0.193359  
1 1 1 53 29 7  o 2.9138   0.124786  8.58939      0.727205 8.71176      1.06831  8.48372      0.992691 2.91516  0.183234  2.88085  0.172291  
1 1 1 53 29 8  o 1.71802  0.205173  3.04558      0.704983 3.20277      1.02348  2.90367      0.972467 1.70635  0.311461  1.62371  0.310544  
1 1 1 53 29 9  o 3.12921  0.120459  9.90054      0.753886 10.3277      1.08575  9.5029       1.04758  3.1784   0.170802  3.04844  0.171823  
1 1 1 53 29 10 o 1.09287  0.299343  1.32057      0.673311 1.42149      0.96667  1.22547      0.938373 1.1359   0.370664  1.07215  0.365199  
1 1 1 53 29 11 o 3.75874  0.105077  14.2606      0.789913 14.1453      1.08262  14.3918      1.15511  3.7279   0.145205  3.75625  0.153759  
1 1 1 53 29 12 o 2.46025  0.139179  6.15595      0.684832 6.28492      0.934479 6.00632      1.00653  2.46838  0.18929   2.40491  0.209265  
1 1 1 53 29 13 o 1.60453  0.220937  2.69111      0.708999 1.91764      0.983094 3.52944      1.02348  1.28545  0.365196  1.81286  0.282283  
1 1 1 53 29 14 o 1.30506  0.30438   1.9306       0.780636 2.17828      1.13925  1.71138      1.0718   1.34742  0.396517  1.20806  0.390103  
1 1 1 53 29 15 o 1.96781  0.202064  4.05327      0.795248 5.28076      1.17823  3.02617      1.07777  2.20956  0.26662   1.60963  0.344772  
1 1 1 53 29 16 o 1.66099  0.233444  2.9433       0.775497 2.92552      1.13391  2.95892      1.06296  1.56006  0.368786  1.58548  0.344842  
1 1 1 53 29 17 o 1.71411  0.223384  3.12757      0.765812 2.95667      1.14001  3.26812      1.03381  1.56091  0.370282  1.68156  0.318951  
1 1 1 53 29 18 o 2.16211  0.184742  4.90276      0.798864 5.49138      1.18311  4.4095       1.08304  2.23422  0.26477   1.9977   0.271072  
1 1 1 53 29 19 o 1.43578  0.309896  2.44207      0.86457  1.91742      1.22668  2.95994      1.21873  1.20785  0.417201  1.50947  0.397985  
1 1 1 53 29 20 f 1.85433  0.241867  3.8058       0.897002 3.89749      1.31964  3.72704      1.22298  1.72693  0.391095  1.71139  0.367873  
1 1 1 53 29 21 o 0.670057 0.3005    -0.0659113   0.835864 0.59927      1.21149  -0.670226    1.15473  0.884777 0.38014   0.686005 0.322874  
1 1 1 53 29 22 o 1.31989  0.331959  2.24993      0.876131 3.05882      1.25034  1.46965      1.22804  1.45309  0.411542  1.03479  0.406529  
1 1 1 53 29 23 o 1.16489  0.343259  1.86061      0.853219 2.31554      1.18943  1.37839      1.2246   1.21942  0.411161  0.985803 0.399088  
1 1 1 53 29 24 o 1.03993  0.365103  1.58062      0.942698 2.08334      1.41156  1.17589      1.26655  1.10344  0.435101  0.932032 0.394091  
1 1 1 53 29 25 o 1.424    0.33048   2.8858       0.923856 3.34053      1.33661  2.46981      1.2784   1.34175  0.435856  1.14148  0.422496  
1 1 1 53 29 26 o 0.695548 0.316281  0.324817     0.963872 -0.466035    1.37449  1.09003      1.35203  0.67268  0.326225  0.838242 0.378743  
1 1 1 53 29 27 o 0.898278 0.37401   1.55051      1.11276  0.589166     1.53651  2.61085      1.61368  0.759399 0.362802  0.992179 0.432626  
1 1 1 53 30 0  o 4.59065  0.126875  21.248       1.16286  21.248       1.16286  21.248       1.16286  4.60016  0.0894501 ?        ?         
1 1 1 53 30 1  o 1.84666  0.16327   3.47779      0.603011 3.28086      0.866246 3.66294      0.839934 1.77254  0.244352  1.87944  0.223454  
1 1 1 53 30 2  o 2.04759  0.131599  4.24673      0.538922 4.41338      0.662854 3.92177      0.925635 2.0813   0.15924   1.93977  0.238593  
1 1 1 53 30 3  o 1.00648  0.301034  1.10178      0.652509 1.46286      0.990745 0.825192     0.867133 1.15312  0.375251  0.941735 0.348083  
1 1 1 53 30 4  o 2.24546  0.158566  5.13723      0.712108 5.68181      1.04418  4.66371      0.973663 2.34042  0.223075  2.11804  0.22985   
1 1 1 53 30 5  o 3.00092  0.122509  9.10746      0.735278 8.2619       1.07202  9.85861      1.0104   2.83639  0.188976  3.10902  0.162494  
1 1 1 53 30 6  o 1.34136  0.27234   1.95946      0.705176 2.0278       1.02265  1.89751      0.973688 1.33305  0.370471  1.29267  0.362227  
1 1 1 53 30 7  o 1.49104  0.235216  2.31734      0.701435 2.01361      1.00028  2.61119      0.983878 1.32926  0.365194  1.5275   0.331366  
1 1 1 53 30 8  o 2.66281  0.137063  7.19394      0.729943 7.18752      1.05981  7.19973      1.00682  2.63995  0.200726  2.64628  0.190232  
1 1 1 53 30 9  o 2.40995  0.148764  5.91453      0.717025 6.23015      1.00864  5.59208      1.0195   2.45345  0.205555  2.31879  0.219835  
1 1 1 53 30 10 o 4.24886  0.100996  18.2141      0.858237 17.3161      1.26133  18.9882      1.17114  4.1193   0.1531    4.32304  0.135454  
1 1 1 53 30 11 o 3.83113  0.0977423 14.8015      0.748927 13.0042      0.972079 17.4264      1.17476  3.57698  0.13588   4.13769  0.141958  
1 1 1 53 30 12 o 1.43     0.278535  2.25801      0.768187 2.86723      1.14464  1.75876      1.0362   1.56575  0.37078   1.22879  0.381781  
1 1 1 53 30 13 o 0.823343 0.325756  0.52923      0.793714 0.847243     1.13723  0.227191     1.1083   0.982177 0.389507  0.846295 0.363598  
1 1 1 53 30 14 o 1.30184  0.285976  1.91475      0.724356 1.34948      1.1448   2.29215      0.935414 1.09876  0.400657  1.39944  0.337609  
1 1 1 53 30 15 o 1.37193  0.284829  2.12912      0.75543  0.712844     1.13502  3.25544      1.01218  0.940152 0.382875  1.68779  0.311561  
1 1 1 53 30 16 o 1.859    0.206313  3.64655      0.767072 2.97307      1.14491  4.19509      1.03327  1.56437  0.37106   1.96157  0.263378  
1 1 1 53 30 17 o 1.57006  0.248818  2.68285      0.781321 2.75115      1.17162  2.62815      1.04851  1.47761  0.390507  1.46617  0.359778  
1 1 1 53 30 18 o 2.43264  0.183507  6.23444      0.892812 4.95784      1.25353  7.54879      1.27193  2.08081  0.301212  2.62719  0.24207   
1 1 1 53 30 19 o 2.07178  0.212809  4.64486      0.881788 4.33476      1.25397  4.94818      1.24021  1.87249  0.34786   2.06142  0.300815  
1 1 1 53 30 20 o 2.49088  0.193306  6.64895      0.963002 7.0296       1.36203  6.26845      1.36175  2.47853  0.274765  2.31998  0.293484  
1 1 1 53 30 21 o 1.50965  0.286965  2.74021      0.835155 2.18508      1.16855  3.31982      1.19404  1.22965  0.407535  1.56018  0.384607  
1 1 1 53 30 22 o 0.8206   0.332649  0.730394     0.852386 -0.509282    1.21126  1.9466       1.19974  0.694843 0.328098  1.127    0.410235  
1 1 1 53 30 23 o 1.17029  0.34937   1.92224      0.879432 2.36825      1.26402  1.5038       1.22434  1.2023   0.422708  1.00271  0.40188   
1 1 1 53 30 24 o 0.683675 0.308971  0.188759     0.900243 1.48059      1.31527  -0.949866    1.23481  0.947039 0.401075  0.629039 0.306287  
1 1 1 53 30 25 o 1.4499   0.339419  3.11726      0.967878 2.81582      1.42117  3.37802      1.3218   1.13693  0.439294  1.31606  0.433434  
1 1 1 53 30 26 o 0.775245 0.342775  0.772973     1.0476   1.79703      1.48587  -0.239223    1.47724  0.927664 0.409445  0.701961 0.339854  
1 1 1 53 31 0  o 3.42063  0.132175  11.8301      0.901181 11.8301      0.901181 11.8301      0.901181 3.4301   0.093043  ?        ?         
1 1 1 53 31 1  o 2.22568  0.134133  5.02133      0.597076 4.84981      0.859473 5.18133      0.830079 2.17011  0.198025  2.2473   0.184684  
1 1 1 53 31 2  o 0.918157 0.30489   0.877409     0.65404  0.635396     0.995719 1.06107      0.867405 0.920665 0.364672  1.01277  0.350727  
1 1 1 53 31 3  o 2.9999   0.121726  9.10113      0.73033  9.01068      1.079    9.17761      0.99214  2.96451  0.181987  2.99827  0.165452  
1 1 1 53 31 4  o 3.72428  0.110101  13.9991      0.820094 13.4975      1.16885  14.4854      1.15093  3.63806  0.160642  3.77245  0.152544  
1 1 1 53 31 5  o 5.29772  0.0955582 28.2633      1.01248  26.2216      1.38765  30.5877      1.48059  5.08431  0.136464  5.49226  0.134789  
1 1 1 53 31 6  f 3.76378  0.109774  14.3022      0.826328 13.1302      1.1499   15.5537      1.18825  3.58698  0.160289  3.90795  0.152029  
1 1 1 53 31 7  o 1.91511  0.186496  3.77487      0.71432  4.38048      1.0236   3.19998      0.997315 2.03981  0.250906  1.70356  0.303621  
1 1 1 53 31 8  o 0.895373 0.308695  0.820951     0.671322 0.191283     0.93484  1.49141      0.964645 0.794885 0.33746   1.15111  0.369927  
1 1 1 53 31 9  o 2.24217  0.14944   5.12634      0.670138 4.00213      0.920687 6.393        0.977277 1.95317  0.23569   2.48637  0.196527  
1 1 1 53 31 10 o 1.93439  0.219285  3.90923      0.848364 3.09532      1.17957  4.78139      1.22104  1.63233  0.369817  2.10588  0.289913  
1 1 1 53 31 11 o 0.961925 0.335342  0.980244     0.794092 1.79672      1.12117  0.158359     1.12487  1.23522  0.398997  0.841583 0.364009  
1 1 1 53 31 12 o 2.61065  0.164314  7.01911      0.857929 7.59453      1.19064  6.39771      1.2373   2.68348  0.221846  2.44393  0.253137  
1 1 1 53 31 13 o 0.693973 0.306891  -0.0797863   0.840212 -0.699565    1.17076  0.578441     1.20653  0.718313 0.33461   0.931419 0.388733  
1 1 1 53 31 14 o 2.3867   0.175302  5.91345      0.836786 4.99057      1.18994  6.81631      1.17696  2.13347  0.278874  2.52724  0.232854  
1 1 1 53 31 15 o 1.01027  0.342627  1.16379      0.825961 0.365575     1.149    2.01733      1.18815  0.868391 0.371554  1.26805  0.410858  
1 1 1 53 31 16 o 1.76064  0.240347  3.35723      0.84633  3.04988      1.20588  3.65557      1.1881   1.5592   0.387826  1.74312  0.35312   
1 1 1 53 31 17 o 1.01356  0.345244  1.22099      0.838631 0.107463     1.17938  2.35989      1.19274  0.815058 0.361611  1.33735  0.40842   
1 1 1 53 31 18 o 1.69573  0.254496  3.21238      0.863116 3.54612      1.23105  2.8897       1.21047  1.65786  0.37932   1.46847  0.400982  
1 1 1 53 31 19 o 0.692429 0.304717  0.0798463    0.815876 0.743293     1.132    -0.637348    1.17696  0.901421 0.376395  0.697547 0.327623  
1 1 1 53 31 20 o 0.848827 0.333208  0.776256     0.824399 0.97506      1.18157  0.587677     1.15079  0.938065 0.387661  0.85888  0.36979   
1 1 1 53 31 21 o 0.849403 0.334283  0.83867      0.831698 1.13444      1.19856  0.563988     1.15504  0.945825 0.390627  0.83459  0.364944  
1 1 1 53 31 22 o 0.738241 0.318335  0.401692     0.855311 -0.62521     1.21553  1.40877      1.20374  0.676835 0.323197  0.985394 0.397011  
1 1 1 53 31 23 o 0.917612 0.349876  1.19655      0.893124 -0.194423    1.30681  2.41571      1.22345  0.726448 0.342366  1.1919   0.416171  
1 1 1 53 31 24 o 1.30223  0.351121  2.59034      0.935421 3.01644      1.33934  2.18456      1.30702  1.23056  0.434868  1.04866  0.417038  
1 1 1 53 31 25 o 1.00564  0.386956  1.84471      1.10031  0.737565     1.55109  2.96618      1.5611   0.809704 0.37954   1.12914  0.45328   
1 1 1 53 31 26 o 1.34959  0.373861  3.27047      1.04311  3.08987      1.54767  3.42079      1.41201  1.0188   0.433412  1.13695  0.438171  
1 1 1 53 32 0  o 0.417672 0.290417  -0.5671      0.815345 -0.5671      0.815345 -0.5671      0.815345 0.329143 0.232752  ?        ?         
1 1 1 53 32 1  o 3.41039  0.095341  11.7154      0.6503   10.9204      0.913297 12.5329      0.926165 3.27926  0.139253  3.51587  0.131712  
1 1 1 53 32 2  o 0.645684 0.280725  -0.0336364   0.675591 0.819999     1.00232  -0.744335    0.91456  0.965263 0.369889  0.627502 0.293636  
1 1 1 53 32 3  o 0.650925 0.282549  -0.0223092   0.682326 -0.3238      0.99431  0.246032     0.938056 0.723028 0.325842  0.810141 0.340686  
1 1 1 53 32 4  o 2.23822  0.16247   5.12203      0.727288 4.55582      1.02891  5.68743      1.02817  2.08123  0.247188  2.3374   0.219939  
1 1 1 53 32 5  o 1.83907  0.189718  3.48859      0.697809 3.94707      0.994262 3.04353      0.979603 1.93179  0.257343  1.65691  0.30714   
1 1 1 53 32 6  o 3.03767  0.126227  9.35659      0.766874 8.58653      1.07746  10.1472      1.09173  2.88648  0.186639  3.14414  0.173613  
1 1 1 53 32 7  o 1.80789  0.189761  3.37247      0.686136 2.36738      0.985621 4.31757      0.955755 1.43815  0.346301  2.02861  0.235569  
1 1 1 53 32 8  o 2.37548  0.158075  5.77392      0.751008 4.63363      1.14636  6.6313       0.994027 2.08049  0.275501  2.53018  0.196434  
1 1 1 53 32 9  f 3.44802  0.132389  12.0982      0.912961 11.1934      1.28002  13.035       1.30251  3.284    0.194888  3.5513   0.183385  
1 1 1 53 32 10 o 0.525323 0.252739  -1.01919     0.779249 -1.45607     1.10461  -0.58639     1.09945  0.61433  0.296811  0.713004 0.329092  
1 1 1 53 32 11 o 1.74233  0.239318  3.23541      0.833941 3.36456      1.13314  3.08281      1.23177  1.69973  0.345343  1.59471  0.389108  
1 1 1 53 32 12 o 2.32995  0.183345  5.65076      0.854371 5.20398      1.19297  6.1212       1.22416  2.18477  0.273019  2.38068  0.257102  
1 1 1 53 32 13 o 0.705712 0.307498  0.0410686    0.814029 -0.16505     1.17145  0.233533     1.13199  0.788603 0.354631  0.843364 0.364973  
1 1 1 53 32 14 o 0.710656 0.309387  0.0627745    0.822647 -0.199365    1.22221  0.279903     1.11234  0.794424 0.359461  0.841867 0.363024  
1 1 1 53 32 15 o 3.07516  0.155006  9.78867      0.953335 9.5543       1.27828  10.0824      1.43106  2.99321  0.21353   3.0556   0.23417   
1 1 1 53 32 16 o 1.45392  0.292707  2.46023      0.821248 3.38288      1.17267  1.57215      1.15049  1.6489   0.365273  1.11831  0.402251  
1 1 1 53 32 17 o 1.53108  0.276527  2.71911      0.815767 2.75076      1.12906  2.68453      1.17996  1.44823  0.383627  1.41445  0.399534  
1 1 1 53 32 18 o 1.97871  0.209022  4.24099      0.827185 4.89315      1.14966  3.541        1.19107  2.06569  0.278275  1.66085  0.368304  
1 1 1 53 32 19 o 0.731998 0.310992  0.329495     0.794978 0.0364396    1.09282  0.658889     1.1586   0.755726 0.341035  0.875384 0.373777  
1 1 1 53 32 20 o 1.25501  0.329141  2.06601      0.836359 2.62235      1.17251  1.48971      1.19335  1.33     0.404696  1.02465  0.401172  
1 1 1 53 32 21 o 0.845645 0.336609  0.855603     0.852212 0.380683     1.22715  1.29802      1.18441  0.804519 0.36231   0.963248 0.391506  
1 1 1 53 32 22 o 0.922274 0.349265  1.17321      0.885007 0.372483     1.27321  1.92177      1.23104  0.799267 0.363462  1.0836   0.411464  
1 1 1 53 32 23 o 0.881544 0.354553  1.19562      0.957686 1.12184      1.31048  1.28019      1.403    0.864851 0.382759  0.88869  0.394326  
1 1 1 53 32 24 o 0.904043 0.368777  1.39935      1.05472  1.67724      1.47115  1.10545      1.51291  0.921078 0.406862  0.844588 0.388322  
1 1 1 53 32 25 o 1.27826  0.383685  2.92252      1.05873  1.85789      1.5697   3.81105      1.43402  0.892053 0.405099  1.28708  0.450454  
1 1 1 53 33 0  o 0.382566 0.272439  -0.900415    0.829333 -0.900415    0.829333 -0.900415    0.829333 0.294075 0.212896  ?        ?         
1 1 1 53 33 1  o 2.21881  0.130873  4.99724      0.580765 5.81092      0.810965 4.1406       0.832093 2.38043  0.17034   1.99713  0.208323  
1 1 1 53 33 2  o 1.8017   0.202043  3.36275      0.728042 4.07802      1.09232  2.79102      0.976589 1.9533   0.279608  1.57795  0.320602  
1 1 1 53 33 3  o 3.41792  0.112318  11.8122      0.767788 12.6071      1.13756  11.1471      1.04055  3.51017  0.162038  3.30271  0.157529  
1 1 1 53 33 4  o 1.4712   0.244495  2.27892      0.719402 1.68824      1.01557  2.87383      1.01921  1.21315  0.378173  1.59601  0.330459  
1 1 1 53 33 5  o 4.2267   0.0996899 18.028       0.842718 16.48        1.17779  19.6518      1.20629  4.02012  0.146486  4.39517  0.137229  
1 1 1 53 33 6  o 2.53595  0.154918  6.57991      0.785725 7.85149      1.22029  5.67937      1.02693  2.73743  0.22289   2.32935  0.220433  
1 1 1 53 33 7  o 2.04368  0.183464  4.32034      0.749886 3.99811      1.20558  4.52369      0.957702 1.90503  0.31642   2.07143  0.231169  
1 1 1 53 33 8  o 2.87672  0.152253  8.48193      0.875976 7.13474      1.20939  9.96872      1.2705   2.59642  0.232895  3.08782  0.205728  
1 1 1 53 33 9  o 1.92479  0.213794  3.89754      0.823018 3.50651      1.15876  4.29561      1.16915  1.73679  0.34586   1.97615  0.295817  
1 1 1 53 33 10 f 1.49015  0.295124  2.51328      0.848275 2.41185      1.18814  2.61874      1.21149  1.39671  0.402996  1.4554   0.402811  
1 1 1 53 33 11 o 1.53165  0.295179  2.66026      0.87195  2.60039      1.23928  2.71896      1.22706  1.44078  0.410252  1.478    0.403782  
1 1 1 53 33 12 o 3.06447  0.151832  9.66838      0.930567 8.85125      1.38207  10.346       1.25861  2.87003  0.240777  3.13635  0.200649  
1 1 1 53 33 13 o 2.22616  0.193214  5.20834      0.860251 5.03679      1.26698  5.35507      1.17175  2.11826  0.29906   2.21017  0.265082  
1 1 1 53 33 14 o 0.637358 0.289184  -0.23921     0.796383 -0.496117    1.16831  -0.016231    1.08844  0.730211 0.337875  0.775657 0.345505  
1 1 1 53 33 15 o 1.27522  0.315914  1.95377      0.802594 1.74549      1.11289  2.17948      1.15857  1.16388  0.397711  1.28471  0.40461   
1 1 1 53 33 16 o 0.772376 0.316871  0.463298     0.783162 0.260207     1.09444  0.676425     1.12116  0.807727 0.354203  0.891008 0.373468  
1 1 1 53 33 17 o 1.93517  0.210646  4.06183      0.815272 3.20317      1.12564  5.00926      1.18239  1.58148  0.363311  2.0846   0.283602  
1 1 1 53 33 18 o 1.06639  0.336062  1.457        0.799096 1.95575      1.10993  0.920275     1.1514   1.18331  0.397181  0.926436 0.382757  
1 1 1 53 33 19 o 0.909343 0.33709   1.0388       0.814408 1.28028      1.12132  0.769215     1.18479  0.97906  0.387246  0.878466 0.376627  
1 1 1 53 33 20 o 0.774181 0.321367  0.585874     0.817701 1.02493      1.14062  0.12164      1.17286  0.90677  0.378175  0.75876  0.346057  
1 1 1 53 33 21 f 0.84419  0.334794  0.881495     0.840199 2.42841      1.20406  -0.586631    1.17299  1.22382  0.41368   0.665212 0.31761   
1 1 1 53 33 22 o 0.682058 0.310909  0.169795     0.943967 0.669656     1.32097  -0.351841    1.34943  0.80653  0.367686  0.696695 0.334553  
1 1 1 53 33 23 o 0.700783 0.321351  0.302804     1.02849  0.435358     1.51622  0.189832     1.39976  0.768964 0.364938  0.73414  0.349467  
1 1 1 53 33 24 o 0.544386 0.267997  -1.03035     1.01249  -4.15694     1.60153  1.05128      1.30677  ?        ?         0.819919 0.371307  
1 1 1 53 34 0  o 0.567587 0.353833  0.308361     0.792574 0.308361     0.792574 0.308361     0.792574 0.511044 0.308138  ?        ?         
1 1 1 53 34 1  o 3.16367  0.102274  10.1107      0.647123 9.62818      0.826287 10.8761      1.04071  3.07615  0.134305  3.25785  0.159724  
1 1 1 53 34 2  o 1.82409  0.198315  3.45646      0.723489 2.82876      1.10355  3.92963      0.958129 1.55946  0.360719  1.92465  0.24891   
1 1 1 53 34 3  o 1.00346  0.310638  1.1211       0.686835 0.627892     1.02901  1.51738      0.922378 0.91245  0.367297  1.14901  0.360849  
1 1 1 53 34 4  o 2.21041  0.176999  5.04449      0.782483 3.78135      1.21134  5.94898      1.02504  1.81473  0.346169  2.3829   0.215083  
1 1 1 53 34 5  o 4.86085  0.105933  23.9112      1.02985  24.3127      1.64295  23.6513      1.32176  4.85722  0.169124  4.81511  0.137251  
1 1 1 53 34 6  o 2.4641   0.163737  6.25257      0.806929 5.17991      1.30695  6.91337      1.0258   2.16885  0.301299  2.57296  0.199342  
1 1 1 53 34 7  o 1.48194  0.286449  2.46385      0.818695 2.02373      1.16531  2.89281      1.15045  1.28682  0.405887  1.5533   0.374209  
1 1 1 53 34 8  o 1.88782  0.223445  3.77695      0.843646 3.56456      1.21068  3.97742      1.17625  1.7358   0.360738  1.88801  0.311507  
1 1 1 53 34 9  o 0.935965 0.343234  0.910352     0.841199 0.360224     1.19107  1.45783      1.1882   0.883241 0.378114  1.12419  0.408352  
1 1 1 53 34 10 o 3.10451  0.158981  9.94503      0.987112 10.4292      1.39492  9.45932      1.39706  3.13274  0.222635  2.97359  0.234912  
1 1 1 53 34 11 o 3.32582  0.149589  11.3889      0.995014 10.6483      1.37635  12.1997      1.44014  3.16517  0.217421  3.39263  0.212245  
1 1 1 53 34 12 o 0.709871 0.305655  0.135127     0.786329 0.939595     1.10661  -0.68533     1.11755  0.97243  0.384674  0.692061 0.323995  
1 1 1 53 34 13 o 2.43506  0.174431  6.20745      0.849501 4.9663       1.214    7.39829      1.18914  2.09727  0.289424  2.61793  0.227114  
1 1 1 53 34 14 o 0.885504 0.3297    0.846165     0.780802 1.33458      1.10533  0.359707     1.10311  1.04905  0.391943  0.834289 0.360657  
1 1 1 53 34 15 o 1.05159  0.337693  1.37236      0.803971 0.423595     1.10388  2.44413      1.17326  0.838186 0.361542  1.34203  0.404123  
1 1 1 53 34 16 o 1.92503  0.213112  4.02844      0.820495 4.75765      1.15557  3.28702      1.1652   2.02964  0.284674  1.59235  0.372186  
1 1 1 53 34 17 o 1.14578  0.337302  1.69256      0.824244 1.09778      1.11592  2.4066       1.22269  0.959911 0.384112  1.28999  0.416669  
1 1 1 53 34 18 o 1.66361  0.2442    3.17205      0.812505 3.67394      1.11365  2.60084      1.18807  1.67684  0.343899  1.32135  0.408454  
1 1 1 53 34 19 o 1.80264  0.239343  3.75547      0.862902 3.35571      1.1927   4.19453      1.24997  1.51906  0.390489  1.7385   0.370487  
1 1 1 53 34 20 o 0.549767 0.262591  -0.623594    0.803764 -0.168788    1.12123  -1.10439     1.15282  0.701977 0.327177  0.610678 0.296971  
1 1 1 53 34 21 o 0.479485 0.238425  -1.53499     0.892543 -0.247939    1.21951  -3.01974     1.30982  0.685938 0.326364  0.514041 0.259881  
1 1 1 53 34 22 o 1.03013  0.38015   1.89319      1.03343  0.568582     1.43374  3.32555      1.49092  0.780095 0.365525  1.21909  0.455256  
1 1 1 53 34 23 o 0.68506  0.311244  0.302953     0.929003 1.16586      1.38765  -0.397955    1.25063  0.845901 0.382872  0.656178 0.316791  
1 1 1 53 34 24 o 0.550339 0.26919   -0.635176    0.990136 0.748394     1.54857  -1.59193     1.28775  0.729887 0.35241   0.541838 0.272019  
1 1 1 53 35 0  o 0.699796 0.398178  0.749847     0.855882 0.749847     0.855882 0.749847     0.855882 0.688444 0.351761  ?        ?         
1 1 1 53 35 1  o 0.915108 0.281861  0.925213     0.566436 0.144349     0.717998 2.21221      0.921773 0.696328 0.295686  1.37709  0.336973  
1 1 1 53 35 2  f 3.89117  0.115211  15.3685      0.896609 13.1748      1.47075  16.6659      1.1311   3.54404  0.207496  4.03763  0.14007   
1 1 1 53 35 3  o 2.62404  0.147889  7.05804      0.776133 7.97285      1.23962  6.46821      0.995378 2.74436  0.225848  2.4867   0.200141  
1 1 1 53 35 4  o 1.64739  0.230787  2.8824       0.760391 3.57331      1.219    2.44233      0.972866 1.73924  0.362368  1.44285  0.341927  
1 1 1 53 35 5  o 2.39754  0.160918  5.92578      0.771614 5.07021      1.19989  6.52908      1.00758  2.15452  0.27846   2.49542  0.201886  
1 1 1 53 35 6  o 3.20606  0.129914  10.4906      0.833025 10.6606      1.25573  10.357       1.11325  3.19083  0.196772  3.15917  0.176193  
1 1 1 53 35 7  o 0.603272 0.27822   -0.450992    0.78375  -0.0202133   1.1212   -0.862628    1.09601  0.797587 0.353381  0.669825 0.315053  
1 1 1 53 35 8  o 2.72879  0.163922  7.69944      0.894617 7.26882      1.25525  8.14396      1.27535  2.60169  0.241237  2.76184  0.230888  
1 1 1 53 35 9  o 3.47349  0.142156  12.3862      0.987557 13.3211      1.3392   11.2718      1.46211  3.56766  0.187686  3.25039  0.224913  
1 1 1 53 35 10 o 2.38518  0.175902  5.93393      0.839118 5.34933      1.19651  6.49973      1.17711  2.20243  0.271635  2.45299  0.239934  
1 1 1 53 35 11 o 2.1562   0.195521  4.91515      0.843163 5.28254      1.17575  4.52618      1.20981  2.18357  0.269227  1.99534  0.303158  
1 1 1 53 35 12 o 0.645398 0.289798  -0.142577    0.779501 -0.754633    1.08668  0.506167     1.11878  0.666381 0.313514  0.870052 0.36926   
1 1 1 53 35 13 o 0.813214 0.323903  0.602182     0.789541 1.51306      1.14716  -0.217642    1.08832  1.09056  0.400736  0.73265  0.333934  
1 1 1 53 35 14 o 1.51045  0.28354   2.67285      0.824979 1.9015       1.19078  3.38479      1.14402  1.18262  0.410802  1.63473  0.35964   
1 1 1 53 35 15 o 0.715679 0.306763  0.241164     0.785685 2.07921      1.12183  -1.52837     1.10072  1.23337  0.399186  0.582657 0.284724  
1 1 1 53 35 16 o 0.861208 0.328566  0.839702     0.788031 2.09797      1.12071  -0.390797    1.10828  1.21689  0.399106  0.697235 0.325089  
1 1 1 53 35 17 o 1.05822  0.335817  1.49164      0.796792 1.52379      1.1286   1.45969      1.12508  1.03538  0.393734  1.01928  0.39151   
1 1 1 53 35 18 o 1.02296  0.344196  1.4461       0.833545 1.07418      1.14876  1.85965      1.21135  0.917593 0.380903  1.09151  0.409814  
1 1 1 53 35 19 o 1.00982  0.350572  1.44687      0.867096 1.7623       1.16451  1.05436      1.29901  1.06071  0.400946  0.911381 0.392644  
1 1 1 53 35 20 o 0.72353  0.317428  0.45638      0.879817 1.32374      1.20312  -0.540633    1.28991  0.912245 0.384829  0.671876 0.323717  
1 1 1 53 35 21 o 0.769844 0.330716  0.746738     0.916733 0.525293     1.27951  0.980315     1.31409  0.766178 0.354162  0.828372 0.373885  
1 1 1 53 35 22 o 0.704367 0.318468  0.371512     0.957523 -0.47364     1.46711  0.998662     1.26381  0.689199 0.335111  0.827711 0.370394  
1 1 1 53 35 23 o 0.577487 0.278667  -0.338263    0.964904 0.572742     1.38232  -1.20395     1.3475   0.718035 0.343297  0.579643 0.288881  
1 1 1 53 36 0  o 0.589153 0.36798   0.353731     0.862364 0.353731     0.862364 0.353731     0.862364 0.533958 0.321703  ?        ?         
1 1 1 53 36 1  o 0.750068 0.278546  0.522432     0.556589 0.580934     0.728047 0.440152     0.863426 0.813932 0.314436  0.813199 0.333014  
1 1 1 53 36 2  o 1.43909  0.27479   2.31899      0.762574 1.71425      1.36267  2.59473      0.920148 1.19679  0.437052  1.49937  0.316659  
1 1 1 53 36 3  o 2.23381  0.168995  5.1662       0.755004 6.37142      1.26542  4.50001      0.940808 2.4242   0.260997  2.05587  0.228811  
1 1 1 53 36 4  o 2.06754  0.186862  4.46089      0.772688 3.25718      1.17803  5.36977      1.02365  1.64773  0.367004  2.2456   0.227924  
1 1 1 53 36 5  o 4.54829  0.10211   20.9593      0.928852 20.7288      1.42956  21.1277      1.22193  4.48124  0.159505  4.54475  0.134433  
1 1 1 53 36 6  o 1.54537  0.281879  2.69222      0.838916 4.09697      1.22889  1.46624      1.14804  1.86933  0.341373  1.11763  0.401841  
1 1 1 53 36 7  o 2.4013   0.182996  6.0243       0.878853 6.32212      1.24894  5.73218      1.23692  2.40802  0.259328  2.28444  0.270728  
1 1 1 53 36 8  o 0.67282  0.297685  -0.0571175   0.791885 0.837099     1.12895  -0.923204    1.11105  0.954089 0.384446  0.662519 0.313462  
1 1 1 53 36 9  o 0.767086 0.317985  0.372621     0.798866 0.534937     1.13008  0.210486     1.12945  0.88615  0.373352  0.826098 0.361058  
1 1 1 53 36 10 o 1.62095  0.247511  2.88025      0.802406 3.13683      1.13222  2.62134      1.13734  1.59055  0.363676  1.42979  0.387909  
1 1 1 53 36 11 o 1.32384  0.306675  2.0903       0.796706 2.40566      1.12101  1.76844      1.13251  1.35486  0.391616  1.16469  0.401003  
1 1 1 53 36 12 o 1.01695  0.332238  1.26661      0.776632 1.93386      1.1016   0.607227     1.09508  1.20342  0.395688  0.872383 0.367537  
1 1 1 53 36 13 o 0.560055 0.265735  -0.70098     0.803545 -1.14456     1.17429  -0.31039     1.10192  0.643923 0.309911  0.718271 0.330733  
1 1 1 53 36 14 o 0.675053 0.299203  0.0196831    0.80478  -0.330442    1.1387   0.36911      1.13756  0.722517 0.334028  0.828562 0.362241  
1 1 1 53 36 15 o 1.90336  0.221956  4.02418      0.844924 2.96059      1.19665  5.08158      1.19316  1.44662  0.400317  2.0691   0.288328  
1 1 1 53 36 16 o 0.743572 0.311733  0.455305     0.781393 0.300239     1.11512  0.604896     1.09526  0.783578 0.349355  0.832618 0.359645  
1 1 1 53 36 17 o 0.64872  0.294301  -0.0289109   0.824553 0.634039     1.10583  -0.859021    1.23742  0.828277 0.359619  0.660156 0.317823  
1 1 1 53 36 18 o 2.39762  0.194514  6.37255      0.932745 5.99668      1.25122  6.8427       1.39938  2.20916  0.283189  2.33376  0.299813  
1 1 1 53 36 19 o 0.917736 0.349326  1.27776      0.889072 -0.21792     1.21041  3.03017      1.31018  0.689499 0.326676  1.28315  0.431526  
1 1 1 53 36 20 o 1.27074  0.341481  2.43958      0.886614 2.33774      1.32163  2.52292      1.19555  1.06921  0.4212    1.15275  0.410509  
1 1 1 53 36 21 o 0.582173 0.277639  -0.393679    0.889673 -0.751652    1.24519  -0.0203641   1.2716   0.630132 0.306954  0.703255 0.333967  
1 1 1 53 36 22 o 0.587098 0.281183  -0.263918    0.937609 -2.1449      1.36576  1.41284      1.28949  0.539564 0.272119  0.832989 0.373411  
1 1 1 53 37 0  o 1.81103  0.283395  3.66049      0.951422 3.66049      0.951422 3.66049      0.951422 1.86697  0.184295  ?        ?         
1 1 1 53 37 1  o 1.86127  0.164815  3.58737      0.613531 2.96966      0.769654 4.66412      1.01615  1.66591  0.231001  2.07973  0.244299  
1 1 1 53 37 2  o 2.93554  0.14073   8.84211      0.826234 6.89705      1.287    10.2058      1.07763  2.51982  0.255375  3.13399  0.171925  
1 1 1 53 37 3  o 1.38874  0.281322  2.18833      0.754098 1.79818      1.19346  2.44761      0.972926 1.2041   0.411856  1.43097  0.343743  
1 1 1 53 37 4  o 3.79822  0.117264  14.6959      0.89079  14.7915      1.42912  14.6351      1.13916  3.75438  0.190327  3.76733  0.151189  
1 1 1 53 37 5  f 1.54682  0.28984   2.73238      0.863525 1.54674      1.27825  3.7277       1.17118  1.13486  0.421987  1.77208  0.342684  
1 1 1 53 37 6  o 1.10986  0.333482  1.47359      0.799521 2.40475      1.13427  0.554075     1.12715  1.37585  0.392716  0.891135 0.374036  
1 1 1 53 37 7  o 2.24967  0.181972  5.31528      0.818752 5.20201      1.17979  5.42052      1.13717  2.16227  0.272812  2.22065  0.256043  
1 1 1 53 37 8  o 1.7016   0.235996  3.15071      0.803141 1.91733      1.13636  4.38171      1.13526  1.21622  0.401883  1.96698  0.288581  
1 1 1 53 37 9  o 1.17871  0.326576  1.69614      0.795875 1.3061       1.12214  2.09094      1.12896  1.04276  0.393756  1.25848  0.39977   
1 1 1 53 37 10 o 2.00549  0.204715  4.32624      0.821107 4.43954      1.16866  4.21579      1.15392  1.95488  0.298909  1.90087  0.303524  
1 1 1 53 37 11 o 0.449351 0.223504  -1.7073      0.787102 -1.40332     1.12461  -1.99917     1.10199  0.604214 0.293666  0.547957 0.271094  
1 1 1 53 37 12 f 1.36768  0.304112  2.26122      0.81006  2.42023      1.14791  2.10349      1.1433   1.33169  0.399477  1.23844  0.403107  
1 1 1 53 37 13 o 0.699034 0.305817  0.146049     0.811903 -0.969933    1.17256  1.1739       1.12531  0.654225 0.313601  0.981683 0.388044  
1 1 1 53 37 14 o 2.41026  0.1854    6.27467      0.893725 6.86643      1.25018  5.65616      1.27812  2.44071  0.25611   2.16926  0.294598  
1 1 1 53 37 15 o 0.475372 0.234116  -1.33734     0.796465 -0.969845    1.10884  -1.72903     1.14476  0.618827 0.298643  0.565476 0.278924  
1 1 1 53 37 16 o 1.37024  0.318002  2.45522      0.855409 1.07494      1.15616  4.12467      1.27151  0.916386 0.381372  1.70478  0.382394  
1 1 1 53 37 17 o 0.747526 0.322745  0.446423     0.881278 0.488506     1.2149   0.399689     1.2803   0.810131 0.362826  0.806619 0.366182  
1 1 1 53 37 18 o 0.629936 0.289737  -0.0286171   0.843106 -0.695115    1.18368  0.657741     1.20118  0.634595 0.306713  0.798717 0.359145  
1 1 1 53 37 19 o 0.750118 0.319171  0.675711     0.839592 0.194368     1.15925  1.20675      1.21762  0.711927 0.332149  0.864802 0.376447  
1 1 1 53 37 20 o 1.11714  0.351067  1.98283      0.87286  1.11917      1.2549   2.7923       1.21489  0.848683 0.375213  1.21402  0.415538  
1 1 1 53 37 21 o 0.731888 0.320602  0.712372     0.894666 0.252642     1.27448  1.15902      1.25622  0.698131 0.332788  0.807523 0.364959  
1 1 1 53 38 0  o 1.46914  0.364232  2.67561      0.925275 2.67561      0.925275 2.67561      0.925275 1.56634  0.221492  ?        ?         
1 1 1 53 38 1  o 1.26638  0.29846   1.87358      0.744435 1.50008      1.16245  2.13325      0.969266 1.11222  0.403912  1.31592  0.358587  
1 1 1 53 38 2  o 0.681429 0.297825  0.0426689    0.76847  -0.156576    1.26295  0.159807     0.968367 0.803635 0.364423  0.771508 0.335772  
1 1 1 53 38 3  o 2.87554  0.173805  8.6471       0.999566 7.69738      1.45395  9.49825      1.37643  2.62663  0.276772  2.9636   0.232223  
1 1 1 53 38 4  o 2.34852  0.203729  5.86915      0.956924 5.9624       1.25001  5.73714      1.4873   2.31486  0.269997  2.2096   0.336554  
1 1 1 53 38 5  f 1.72701  0.251373  3.28124      0.868248 3.82913      1.18137  2.63766      1.28037  1.77916  0.344289  1.40368  0.422062  
1 1 1 53 38 6  o 2.68918  0.168532  7.56874      0.906429 8.82172      1.33883  6.50837      1.23164  2.84252  0.2355    2.425    0.253946  
1 1 1 53 38 7  o 0.570974 0.270885  -0.743589    0.834778 -0.459668    1.20197  -1.00814     1.16025  0.734017 0.34081   0.658241 0.314663  
1 1 1 53 38 8  o 0.687889 0.302994  0.0549841    0.80817  0.441626     1.09804  -0.402032    1.1938   0.840987 0.361635  0.735156 0.34069   
1 1 1 53 38 9  o 1.95151  0.214192  4.13379      0.835997 3.8179       1.15387  4.48282      1.2129   1.75945  0.340041  1.94962  0.31106   
1 1 1 53 38 10 o 0.914644 0.340247  0.962069     0.831188 2.07146      1.14895  -0.256041    1.20393  1.22976  0.404103  0.752808 0.346243  
1 1 1 53 38 11 o 2.68614  0.171366  7.63641      0.920629 7.30182      1.25849  8.02159      1.35028  2.55202  0.246567  2.66707  0.253139  
1 1 1 53 38 12 o 2.88799  0.15984   8.81368      0.923233 7.87396      1.25314  9.92927      1.36537  2.64612  0.236788  2.98229  0.228913  
1 1 1 53 38 13 o 0.646722 0.296962  -0.202923    0.881596 1.15098      1.25689  -1.51407     1.23688  0.957652 0.398035  0.612639 0.299944  
1 1 1 53 38 14 o 1.69494  0.25753   3.37922      0.872994 3.36921      1.20917  3.39013      1.26171  1.52197  0.394187  1.50497  0.408685  
1 1 1 53 38 15 o 1.1229   0.34006   1.74243      0.829192 1.91         1.16793  1.57212      1.17744  1.10574  0.404538  1.02163  0.398795  
1 1 1 53 38 16 o 1.37247  0.311152  2.46892      0.834556 1.3772       1.20196  3.48516      1.15966  0.965553 0.393741  1.55217  0.376814  
1 1 1 53 38 17 o 1.17225  0.332991  2.01097      0.817408 2.07971      1.1405   1.93836      1.17213  1.08562  0.399507  1.04261  0.39986   
1 1 1 53 38 18 o 0.595754 0.277426  -0.118952    0.803931 -0.578005    1.12508  0.359961     1.14916  0.619651 0.29941   0.731029 0.337045  
1 1 1 53 38 19 o 0.671422 0.303694  0.25326      0.871609 0.0436459    1.29945  0.424701     1.17518  0.713504 0.338252  0.742711 0.341802  
1 1 1 53 38 20 f 0.737954 0.322128  0.732448     0.896685 0.817554     1.27809  0.649951     1.25835  0.765507 0.353895  0.743841 0.346657  
1 1 1 53 39 0  o 1.0457   0.479323  1.84139      1.08734  1.84139      1.08734  1.84139      1.08734  1.16397  0.37527   ?        ?         
1 1 1 53 39 1  o 0.609651 0.285477  -0.567802    0.869378 -0.247718    1.16455  -0.970773    1.30666  0.753792 0.344106  0.708486 0.33744   
1 1 1 53 39 2  o 0.781374 0.32689   0.401099     0.856312 0.815188     1.28726  0.0723987    1.14688  0.95292  0.399833  0.795397 0.354469  
1 1 1 53 39 3  f 1.97972  0.224244  4.25914      0.887883 5.56214      1.27881  3.04643      1.23371  2.20299  0.290245  1.51767  0.400551  
1 1 1 53 39 4  f 3.08112  0.157529  9.91083      0.970728 9.85427      1.37515  9.967        1.3705   3.00219  0.229024  3.02184  0.226766  
1 1 1 53 39 5  o 1.7841   0.254085  3.55684      0.906627 3.33791      1.29556  3.76695      1.26918  1.57481  0.408096  1.70773  0.381338  
1 1 1 53 39 6  o 2.64255  0.181785  7.40968      0.960753 8.36228      1.39284  6.54506      1.32697  2.73279  0.254839  2.39447  0.27709   
1 1 1 53 39 7  o 0.823495 0.335468  0.599844     0.871611 1.60829      1.22155  -0.446074    1.24404  1.10441  0.412152  0.741001 0.345081  
1 1 1 53 39 8  o 2.30311  0.204366  5.73017      0.941352 6.32382      1.35225  5.17197      1.31125  2.33388  0.2897    2.08506  0.314438  
1 1 1 53 39 9  o 2.32011  0.199519  5.80877      0.925813 5.77097      1.33163  5.84413      1.28805  2.21077  0.301168  2.23998  0.287514  
1 1 1 53 39 10 o 0.624278 0.287905  -0.303413    0.839251 -0.125941    1.18386  -0.482707    1.18992  0.752213 0.344866  0.707979 0.33196   
1 1 1 53 39 11 o 0.878178 0.345849  0.898381     0.890823 0.0275276    1.2684   1.74605      1.2514   0.782496 0.358004  1.0907   0.414651  
1 1 1 53 39 12 o 2.99137  0.168896  9.60239      1.01046  13.6371      1.55201  6.6338       1.33127  3.47869  0.223074  2.34603  0.283728  
1 1 1 53 39 13 o 1.26728  0.327237  2.14167      0.834912 2.61147      1.24533  1.75809      1.12526  1.2801   0.420711  1.07614  0.396751  
1 1 1 53 39 14 o 2.34634  0.18817   6.0542       0.883022 6.1942       1.24464  5.91232      1.25296  2.26063  0.275286  2.19409  0.285532  
1 1 1 53 39 15 o 1.03394  0.342109  1.53996      0.823468 1.74913      1.16433  1.33063      1.16479  1.0374   0.398335  0.944235 0.38675   
1 1 1 53 39 16 o 0.705188 0.308274  0.430149     0.823694 0.969071     1.16707  -0.104747    1.1627   0.840331 0.367152  0.687512 0.323701  
1 1 1 53 39 17 o 0.513739 0.250422  -0.843577    0.833836 -0.59795     1.19835  -1.07413     1.16098  0.631448 0.305781  0.583712 0.287235  
1 1 1 53 39 18 o 0.546771 0.263015  -0.57854     0.843059 -0.72708     1.22604  -0.445312    1.16114  0.628517 0.305838  0.640937 0.308399  
1 1 1 53 39 19 o 0.489537 0.242612  -1.18803     0.892212 -0.610026    1.27889  -1.73611     1.24534  0.622758 0.304921  0.54079  0.270395  
1 1 1 53 40 0  o 0.510391 0.360554  -0.966975    1.37401  -0.966975    1.37401  -0.966975    1.37401  0.410212 0.292732  ?        ?         
1 1 1 53 40 1  o 2.5576   0.202743  7.04252      1.03707  9.0254       1.50008  5.22712      1.43534  2.8252   0.265482  2.03527  0.365932  
1 1 1 53 40 2  o 0.500673 0.246031  -1.40437     0.846835 -1.77616     1.15772  -0.976547    1.24192  0.583648 0.287083  0.681946 0.325888  
1 1 1 53 40 3  o 3.77468  0.134658  14.7355      1.01658  14.8185      1.39832  14.6425      1.48053  3.72874  0.187505  3.69008  0.20061   
1 1 1 53 40 4  o 1.26591  0.33423   2.01141      0.858789 2.93886      1.195    1.02081      1.23501  1.47885  0.396012  0.971481 0.398128  
1 1 1 53 40 5  o 2.10226  0.200469  4.76167      0.842876 4.35587      1.18131  5.1825       1.203    1.91959  0.307698  2.11815  0.283973  
1 1 1 53 40 6  o 1.38234  0.304099  2.31424      0.817985 1.3405       1.15367  3.29865      1.15997  1.03021  0.396265  1.59275  0.370748  
1 1 1 53 40 7  o 1.04245  0.347261  1.39532      0.848456 2.58802      1.23363  0.324698     1.16879  1.34471  0.41632   0.821589 0.362817  
1 1 1 53 40 8  o 0.797698 0.330623  0.562354     0.863412 1.47304      1.26415  -0.233919    1.18207  1.04073  0.411318  0.735076 0.340024  
1 1 1 53 40 9  o 1.26439  0.331685  2.08546      0.849208 1.83883      1.18545  2.34543      1.2171   1.11891  0.407736  1.24869  0.415915  
1 1 1 53 40 10 o 0.706248 0.307407  0.259148     0.811854 1.05851      1.16358  -0.49913     1.13328  0.927121 0.384012  0.677349 0.319109  
1 1 1 53 40 11 o 0.788424 0.324438  0.637292     0.823494 0.555597     1.21199  0.707351     1.12236  0.831353 0.367994  0.845073 0.364535  
1 1 1 53 40 12 o 0.870661 0.331868  0.962258     0.803346 0.497055     1.15659  1.39591      1.11667  0.81017  0.35894   0.983704 0.387277  
1 1 1 53 40 13 o 1.75824  0.242     3.6146       0.850988 2.89565      1.24681  4.24162      1.16437  1.34054  0.419248  1.77818  0.339563  
1 1 1 53 40 14 o 1.95868  0.224552  4.49052      0.879652 2.60374      1.24026  6.40032      1.24781  1.21322  0.41946   2.25862  0.276232  
1 1 1 53 40 15 o 1.86549  0.237865  4.21973      0.887469 4.9135       1.26858  3.55474      1.24199  1.81531  0.362236  1.4378   0.411114  
1 1 1 53 40 16 o 1.67584  0.260064  3.58267      0.871653 3.44489      1.25199  3.71227      1.21428  1.36181  0.418962  1.4649   0.402326  
1 1 1 53 40 17 o 0.623247 0.288254  -0.00403003  0.849134 0.142574     1.22872  -0.138052    1.17481  0.711206 0.334245  0.672058 0.32003   
1 1 1 53 40 18 o 0.781191 0.329703  0.973933     0.883813 0.883279     1.26568  1.0602       1.23469  0.76428  0.352887  0.787548 0.358076  
1 1 1 53 41 0  o 1.64256  0.497279  3.84818      1.42244  3.84818      1.42244  3.84818      1.42244  1.82659  0.299665  ?        ?         
1 1 1 53 41 1  o 1.155    0.364121  1.7558       0.937989 3.50427      1.39603  0.316826     1.26645  1.56537  0.432032  0.843438 0.374397  
1 1 1 53 41 2  o 0.881094 0.350869  0.823897     0.926306 -0.13101     1.36927  1.62967      1.25781  0.801573 0.368916  1.09327  0.415687  
1 1 1 53 41 3  o 2.85591  0.180058  8.70676      1.02846  8.48486      1.475    8.91672      1.43475  2.71118  0.272022  2.80061  0.25615   
1 1 1 53 41 4  o 1.51426  0.303649  2.79893      0.887188 3.60323      1.23636  1.94515      1.27382  1.63432  0.384284  1.1572   0.422566  
1 1 1 53 41 5  f 0.769656 0.326793  0.432166     0.876867 -1.00902     1.17442  2.24766      1.31814  0.644625 0.31017   1.21684  0.431271  
1 1 1 53 41 6  o 1.94715  0.236241  4.28685      0.919993 3.95018      1.25838  4.67342      1.34841  1.70523  0.378926  1.86705  0.374306  
1 1 1 53 41 7  f 1.60227  0.266742  3.01639      0.854788 4.89247      1.23568  1.29482      1.1837   1.98916  0.310604  0.982918 0.394653  
1 1 1 53 41 8  o 1.15589  0.344895  1.82276      0.857198 0.386495     1.21327  3.25427      1.21126  0.811722 0.363084  1.49498  0.397958  
1 1 1 53 41 9  o 2.44322  0.186205  6.52949      0.909879 6.63019      1.29433  6.43111      1.27933  2.34623  0.27583   2.30904  0.277027  
1 1 1 53 41 10 f 0.851373 0.337082  0.882246     0.850418 0.719933     1.22466  1.0334       1.18183  0.856325 0.375104  0.908406 0.382223  
1 1 1 53 41 11 o 2.18457  0.202579  5.3311       0.885098 4.33119      1.26705  6.28403      1.23693  1.75305  0.372586  2.28019  0.271234  
1 1 1 53 41 12 o 0.861279 0.337727  0.987273     0.846402 0.997862     1.18545  0.976261     1.20887  0.878222 0.376634  0.87567  0.378035  
1 1 1 53 41 13 o 0.769884 0.327042  0.696379     0.878932 1.03173      1.32357  0.431843     1.17555  0.858596 0.381766  0.760497 0.346743  
1 1 1 53 41 14 o 1.24605  0.346498  2.373        0.894323 1.48175      1.24198  3.33279      1.28885  0.914764 0.388679  1.33273  0.427526  
1 1 1 53 41 15 o 0.557521 0.266393  -0.437537    0.829164 -1.3215      1.165    0.46993      1.18038  0.565343 0.279463  0.745462 0.342854  
1 1 1 53 41 16 o 0.494277 0.243474  -1.0419      0.839394 -0.6466      1.19572  -1.42598     1.17863  0.622683 0.302695  0.558345 0.277133  
1 1 1 53 41 17 o 1.07815  0.364963  2.17975      0.937165 1.87288      1.36276  2.45509      1.29086  0.879643 0.389683  0.996655 0.407502  
1 1 1 53 42 0  o 0.911883 0.507297  1.69425      1.3504   1.69425      1.3504   1.69425      1.3504   0.988617 0.449397  ?        ?         
1 1 1 53 42 1  o 1.34591  0.343459  2.39861      0.927736 1.41411      1.34227  3.29909      1.28372  1.01471  0.415319  1.49812  0.414649  
1 1 1 53 42 2  o 1.18376  0.354354  1.90986      0.903877 2.19495      1.284    1.6298       1.27263  1.19076  0.425285  1.05752  0.414235  
1 1 1 53 42 3  o 0.619999 0.290582  -0.435344    0.908163 1.29434      1.30624  -2.05368     1.2635   0.984799 0.407324  0.579612 0.287586  
1 1 1 53 42 4  o 1.90183  0.245919  4.17041      0.935395 4.49888      1.33106  3.84992      1.31478  1.80473  0.380642  1.62937  0.404764  
1 1 1 53 42 5  o 1.77017  0.267968  3.71844      0.948699 3.62449      1.29249  3.82819      1.39691  1.56629  0.40842   1.57712  0.430805  
1 1 1 53 42 6  o 0.640757 0.298203  -0.286472    0.927085 1.72707      1.30012  -2.36947     1.32235  1.05529  0.417111  0.57126  0.284909  
1 1 1 53 42 7  o 1.01684  0.351843  1.44697      0.872775 0.883499     1.17079  2.15176      1.30939  0.880794 0.375901  1.14633  0.426928  
1 1 1 53 42 8  o 0.74442  0.322545  0.403953     0.886126 -0.332539    1.20368  1.27539      1.30932  0.704677 0.331073  0.9578   0.402625  
1 1 1 53 42 9  o 0.706579 0.30954   0.287849     0.834134 0.522715     1.13427  0.0112472    1.23094  0.805865 0.356447  0.748506 0.34652   
1 1 1 53 42 10 o 0.585183 0.274081  -0.324709    0.803033 -0.576515    1.11733  -0.0556712   1.15493  0.646188 0.308874  0.715402 0.332901  
1 1 1 53 42 11 o 1.11687  0.346635  1.89151      0.854504 2.00309      1.20392  1.77824      1.21304  1.05499  0.405062  1.00327  0.400888  
1 1 1 53 42 12 o 1.00444  0.358276  1.63714      0.910997 1.54617      1.29458  1.72639      1.2822   0.930514 0.39614   0.965232 0.401657  
1 1 1 53 42 13 o 0.883915 0.349434  1.25908      0.912602 -0.445254    1.28348  3.00186      1.29787  0.659589 0.318895  1.22153  0.42844   
1 1 1 53 42 14 o 0.927419 0.351489  1.39564      0.896903 0.377381     1.2062   2.65491      1.34137  0.739893 0.34272   1.13054  0.429443  
1 1 1 53 42 15 o 0.628965 0.292875  0.0192195    0.895797 0.351309     1.28464  -0.295088    1.24978  0.727869 0.341986  0.657705 0.317319  
1 1 1 53 42 16 o 1.03648  0.357777  2.0406       0.902002 2.40104      1.32405  1.72846      1.23215  0.954623 0.403255  0.858964 0.376255  
1 1 1 53 43 0  o 0.682534 0.44005   0.68851      1.34514  0.68851      1.34514  0.68851      1.34514  0.646433 0.395243  ?        ?         
1 1 1 53 43 1  o 2.95473  0.171722  9.43031      1.01479  10.8004      1.48191  8.22056      1.39251  3.05263  0.242727  2.62909  0.264826  
1 1 1 53 43 2  o 0.662799 0.303338  -0.100553    0.911424 0.644148     1.3117   -0.795747    1.26735  0.856203 0.380423  0.673852 0.323738  
1 1 1 53 43 3  o 0.955216 0.355677  1.25247      0.908716 1.05445      1.29608  1.44392      1.27443  0.920274 0.394214  0.992876 0.405252  
1 1 1 53 43 4  o 0.950617 0.354963  1.23988      0.906334 0.336589     1.28197  2.14256      1.28153  0.805706 0.365941  1.14595  0.423242  
1 1 1 53 43 5  o 0.868656 0.344557  0.944872     0.890059 0.856763     1.24737  1.03627      1.27041  0.879203 0.381839  0.911852 0.390438  
1 1 1 53 43 6  o 1.7995   0.259283  3.8585       0.93316  3.01721      1.29792  4.75871      1.34259  1.36003  0.428236  1.8319   0.379259  
1 1 1 53 43 7  o 2.94149  0.186707  9.53348      1.09839  11.3046      1.47042  7.29761      1.65213  3.11993  0.23565   2.30539  0.358318  
1 1 1 53 43 8  o 0.72054  0.318799  0.347679     0.908214 0.963007     1.24772  -0.345746    1.32454  0.869819 0.379834  0.710115 0.338681  
1 1 1 53 43 9  o 0.63946  0.295621  -0.0428622   0.891807 -0.0981078   1.20551  0.0239199    1.32541  0.699608 0.329457  0.732651 0.345144  
1 1 1 53 43 10 o 0.551151 0.265277  -0.617202    0.860732 -1.03156     1.13459  -0.0554279   1.3211   0.587377 0.287505  0.714701 0.339877  
1 1 1 53 43 11 o 0.793067 0.333968  0.864081     0.903494 1.88202      1.23186  -0.320976    1.32914  0.986513 0.399901  0.680919 0.328204  
1 1 1 53 43 12 o 0.816057 0.337429  0.970482     0.895984 0.487216     1.2138   1.54908      1.32813  0.752075 0.346613  0.911369 0.39488   
1 1 1 53 43 13 o 0.893211 0.348217  1.29903      0.89711  0.770843     1.29673  1.7839       1.24242  0.79112  0.361962  0.956397 0.396515  
1 1 1 53 43 14 o 0.656606 0.302996  0.251581     0.931357 -0.0297495   1.34254  0.512588     1.29313  0.677273 0.327221  0.72606  0.341711  
1 1 1 53 44 0  o 0.622977 0.416074  0.315789     1.3655   0.315789     1.3655   0.315789     1.3655   0.564493 0.367137  ?        ?         
1 1 1 53 44 1  o 0.618904 0.29087   -0.408183    0.930576 -1.09398     1.36102  0.193891     1.27524  0.663266 0.322585  0.778276 0.357281  
1 1 1 53 44 2  o 1.1545   0.364035  1.95308      0.937486 1.12683      1.33137  2.76566      1.32031  0.921629 0.397287  1.27746  0.43319   
1 1 1 53 44 3  o 0.744413 0.323286  0.434794     0.894076 0.727394     1.26444  0.142221     1.26439  0.848518 0.375697  0.765885 0.353276  
1 1 1 53 44 4  o 0.926476 0.351557  1.22571      0.898149 1.17335      1.27852  1.27673      1.26199  0.913724 0.391475  0.93219  0.393731  
1 1 1 53 44 5  o 0.862277 0.345241  1.02527      0.902234 2.08287      1.27418  -0.0382361   1.27773  1.08045  0.41627   0.729936 0.342567  
1 1 1 53 44 6  o 1.98881  0.239494  4.76669      0.952615 4.17449      1.34165  5.36878      1.35282  1.58104  0.417903  1.90637  0.367949  
1 1 1 53 44 7  o 0.848149 0.344167  1.04541      0.913734 1.30483      1.30642  0.796967     1.27846  0.896147 0.390009  0.817372 0.368859  
1 1 1 53 44 8  o 0.917009 0.355303  1.35284      0.931023 2.22718      1.29783  0.425832     1.33635  1.05932  0.417363  0.765531 0.356948  
1 1 1 53 44 9  o 0.561023 0.271536  -0.688656    0.940274 -1.25692     1.33367  -0.12702     1.32586  0.607459 0.299975  0.697501 0.334134  
1 1 1 53 44 10 o 0.768323 0.333312  0.740873     0.948481 -0.510575    1.29677  2.18053      1.39087  0.657128 0.318195  1.01443  0.419991  
1 1 1 53 44 11 f 1.49112  0.334222  3.26073      0.971924 4.82814      1.37331  1.68783      1.37571  1.68071  0.411331  0.929255 0.402249  
1 1 1 53 44 12 f 0.765569 0.336602  0.806641     0.993733 -0.115556    1.40648  1.72588      1.40422  0.690453 0.333818  0.901332 0.397902  
1 1 1 53 44 13 o 0.602568 0.286628  -0.0356851   0.940121 0.235878     1.32895  -0.307721    1.33011  0.674827 0.325957  0.631441 0.309664  
1 1 1 53 45 0  o 0.486931 0.348524  -0.902652    1.40639  -0.902652    1.40639  -0.902652    1.40639  0.402924 0.289442  ?        ?         
1 1 1 53 45 1  o 0.631592 0.293856  -0.0968672   0.89945  -0.202878    1.29825  0.00098788   1.24731  0.701821 0.334862  0.714814 0.33618   
1 1 1 53 45 2  o 1.78989  0.273619  4.08603      0.979498 6.40692      1.42566  2.01097      1.34804  2.13476  0.333915  1.0209   0.416758  
1 1 1 53 45 3  o 1.17164  0.35858   2.15918      0.918737 2.66384      1.32284  1.68892      1.27696  1.16389  0.42998   0.963463 0.400872  
1 1 1 53 45 4  o 0.713979 0.316536  0.43408      0.901489 1.32942      1.28648  -0.429723    1.26362  0.892656 0.387731  0.667287 0.321235  
1 1 1 53 45 5  o 0.969319 0.403707  1.80864      1.29707  1.80864      1.29707  0            0        0.970539 0.403929  ?        ?         
1 1 1 53 45 6  o 0.622197 0.291705  -0.123169    0.917882 -1.00254     1.27785  0.814182     1.3193   0.614837 0.302162  0.803527 0.366623  
1 1 1 53 45 7  o 0.485298 0.241377  -1.47298     0.917684 -1.18889     1.29431  -1.76016     1.30132  0.602851 0.297174  0.567273 0.282881  
1 1 1 53 45 8  o 1.11053  0.367712  2.06415      0.951331 2.36076      1.35059  1.77206      1.34024  1.06263  0.423512  0.951277 0.403964  
1 1 1 53 45 9  o 0.872566 0.350436  1.22867      0.93366  1.31817      1.3678   1.15059      1.2776   0.868564 0.38709   0.844945 0.37543   
1 1 1 53 45 10 f 0.614378 0.288835  -0.0982499   0.919012 -0.871749    1.29718  0.681226     1.30219  0.614669 0.302779  0.762277 0.35424   
1 1 1 53 45 11 o 0.712842 0.322062  0.69119      0.977472 1.31761      1.39728  0.0908286    1.3679   0.793732 0.368122  0.67078  0.325346  
1 1 1 53 46 0  f 0.631364 0.418405  0.671131     1.32934  0.671131     1.32934  0.671131     1.32934  0.606428 0.380882  ?        ?         
1 1 1 53 46 1  o 0.812037 0.341266  0.969316     0.940263 2.25619      1.39738  -0.095387    1.27104  1.02113  0.42176   0.689604 0.329581  
1 1 1 53 46 2  o 0.66525  0.306381  0.149868     0.946184 -1.16592     1.33933  1.46085      1.33688  0.613352 0.302338  0.892964 0.391528  
1 1 1 53 46 3  o 0.744143 0.325468  0.631288     0.919106 1.79279      1.30483  -0.512502    1.29485  0.954393 0.401599  0.655959 0.317686  
1 1 1 53 46 4  o 1.01466  0.360639  1.72486      0.922321 1.34262      1.30463  2.10677      1.30409  0.880675 0.386454  1.01853  0.412042  
1 1 1 53 46 5  o 0.56089  0.270994  -0.654097    0.920901 1.21341      1.31393  -2.45719     1.29107  0.863698 0.382626  0.529023 0.266604  
1 1 1 53 46 6  o 0.663793 0.30526   0.153578     0.935439 0.881609     1.32397  -0.572129    1.32185  0.808528 0.368464  0.654783 0.318287  
1 1 1 53 46 7  o 0.773726 0.333444  0.82612      0.937392 -0.243337    1.32584  1.89503      1.3255   0.675391 0.326094  0.950874 0.402663  
1 1 1 53 46 8  o 0.690212 0.312575  0.465802     0.92612  1.60971      1.33891  -0.583565    1.28238  0.869534 0.385597  0.62479  0.305781  
1 1 1 53 46 9  o 1.02076  0.371255  2.11609      0.982393 1.59265      1.4374   2.57491      1.34575  0.816493 0.37664   0.979752 0.409833  
1 1 1 53 47 0  o 2.38495  0.348829  7.31339      1.55854  7.31339      1.55854  7.31339      1.55854  2.55614  0.219283  ?        ?         
1 1 1 53 47 1  o 1.35591  0.356903  2.91723      0.981138 3.428        1.40258  2.42779      1.37297  1.25675  0.444926  1.04604  0.422943  
1 1 1 53 47 2  o 0.911211 0.363667  1.46173      0.997126 0.901771     1.35683  2.11927      1.4703   0.800327 0.367877  0.96706  0.417193  
1 1 1 53 47 3  o 1.99188  0.24684   5.01819      0.98335  4.58397      1.404    5.4363       1.37771  1.54107  0.435982  1.79973  0.393582  
1 1 1 53 47 4  o 0.754349 0.331185  0.791627     0.95913  0.424903     1.37777  1.13647      1.33602  0.729977 0.347117  0.810448 0.369554  
1 1 1 53 47 5  o 0.900514 0.358605  1.55116      0.967608 1.52575      1.36881  1.57655      1.368    0.839285 0.380051  0.846297 0.381753  
1 1 1 53 47 6  o 0.666954 0.305503  0.447279     0.926709 0.38177      1.32956  0.509174     1.29236  0.688714 0.331051  0.698616 0.333516  
1 1 1 53 48 0  o 0.574101 0.394821  0.465025     1.40254  0.465025     1.40254  0.465025     1.40254  0.541321 0.35974   ?        ?         
1 1 1 53 48 1  o 0.6069   0.290941  -0.1043      1.00979  0.76282      1.48369  -0.852561    1.37826  0.730236 0.350694  0.600155 0.298131  
1 1 1 54 0  0  o 4.1078   0.152178  16.9646      1.24634  16.9646      1.24634  16.9646      1.24634  4.11334  0.107292  ?        ?         
1 1 1 54 0  1  o 2.18688  0.181154  4.88852      0.779816 4.88852      0.779816 4.88852      0.779816 2.19924  0.126318  ?        ?         
1 1 1 54 0  2  o 0.829691 0.40058   1.0241       0.766632 1.0241       0.766632 1.0241       0.766632 0.865204 0.332597  ?        ?         
1 1 1 54 0  3  o 2.08316  0.178597  4.44201      0.731511 4.44201      0.731511 4.44201      0.731511 2.09571  0.124412  ?        ?         
1 1 1 54 0  4  o 9.27545  0.106465  86.1236      1.97443  86.1236      1.97443  86.1236      1.97443  9.27786  0.0752512 ?        ?         
1 1 1 54 0  5  o 6.7014   0.0951904 44.9599      1.27524  44.9599      1.27524  44.9599      1.27524  6.70331  0.0672753 ?        ?         
1 1 1 54 0  6  o 7.58144  0.103696  57.5486      1.57166  57.5486      1.57166  57.5486      1.57166  7.58376  0.0732859 ?        ?         
1 1 1 54 0  7  o 4.43652  0.106472  19.7312      0.9435   19.7312      0.9435   19.7312      0.9435   4.43925  0.0751914 ?        ?         
1 1 1 54 0  8  o 8.20756  0.10918   67.4551      1.79148  67.4551      1.79148  67.4551      1.79148  8.21033  0.0771602 ?        ?         
1 1 1 54 0  9  o 1.44129  0.293852  2.32859      0.749131 2.32859      0.749131 2.32859      0.749131 1.4912   0.183927  ?        ?         
1 1 1 54 0  10 o 8.44047  0.107697  71.3388      1.81736  71.3388      1.81736  71.3388      1.81736  8.44333  0.0761136 ?        ?         
1 1 1 54 0  11 o 1.77394  0.203508  3.27939      0.700416 3.27939      0.700416 3.27939      0.700416 1.79329  0.140055  ?        ?         
1 1 1 54 0  12 o 5.0914   0.116693  25.9944      1.18685  25.9944      1.18685  25.9944      1.18685  5.09493  0.082408  ?        ?         
1 1 1 54 0  13 o 0.581181 0.351956  0.350774     0.738362 0.350774     0.738362 0.350774     0.738362 0.526774 0.306481  ?        ?         
1 1 1 54 0  14 o 1.23153  0.366552  1.88439      0.784589 1.88439      0.784589 1.88439      0.784589 1.31197  0.233561  ?        ?         
1 1 1 54 0  15 o 3.92589  0.124522  15.4849      0.975487 15.4849      0.975487 15.4849      0.975487 3.93051  0.0878451 ?        ?         
1 1 1 54 0  16 o 6.68578  0.116912  44.8138      1.56222  44.8138      1.56222  44.8138      1.56222  6.69005  0.0825882 ?        ?         
1 1 1 54 0  17 o 4.94477  0.116807  24.5367      1.15372  24.5367      1.15372  24.5367      1.15372  4.94914  0.08247   ?        ?         
1 1 1 54 0  18 o 0.678384 0.388237  0.625058     0.819057 0.625058     0.819057 0.625058     0.819057 0.648206 0.340867  ?        ?         
1 1 1 54 0  19 o 1.63712  0.302094  2.9686       0.888494 2.9686       0.888494 2.9686       0.888494 1.68631  0.191942  ?        ?         
1 1 1 54 0  20 o 5.16107  0.127505  26.7633      1.31431  26.7633      1.31431  26.7633      1.31431  5.16719  0.0899902 ?        ?         
1 1 1 54 0  21 o 5.11809  0.135796  26.3373      1.38782  26.3373      1.38782  26.3373      1.38782  5.12501  0.0958157 ?        ?         
1 1 1 54 0  22 o 6.22642  0.130866  38.9516      1.62802  38.9516      1.62802  38.9516      1.62802  6.23376  0.0923807 ?        ?         
1 1 1 54 0  23 o 1.14066  0.445327  1.83943      0.966031 1.83943      0.966031 1.83943      0.966031 1.24031  0.319162  ?        ?         
1 1 1 54 0  24 o 4.19933  0.153983  17.8127      1.28931  17.8127      1.28931  17.8127      1.28931  4.20995  0.108439  ?        ?         
1 1 1 54 0  25 o 3.35157  0.178177  11.4303      1.18663  11.4303      1.18663  11.4303      1.18663  3.36634  0.125019  ?        ?         
1 1 1 54 0  26 o 0.420836 0.302433  -1.39044     1.08877  -1.39044     1.08877  -1.39044     1.08877  0.320501 0.233658  ?        ?         
1 1 1 54 0  27 o 2.54272  0.226384  6.73486      1.13028  6.73486      1.13028  6.73486      1.13028  2.56964  0.156852  ?        ?         
1 1 1 54 0  28 o 1.16404  0.490915  2.04435      1.14627  2.04435      1.14627  2.04435      1.14627  1.27505  0.366915  ?        ?         
1 1 1 54 0  29 o 2.95985  0.209287  9.05615      1.22468  9.05615      1.22468  9.05615      1.22468  2.98499  0.14585   ?        ?         
1 1 1 54 0  30 o 0.482117 0.338016  -0.871875    1.16058  -0.871875    1.16058  -0.871875    1.16058  0.381053 0.271284  ?        ?         
1 1 1 54 0  31 o 0.847429 0.472654  1.20148      1.17638  1.20148      1.17638  1.20148      1.17638  0.861107 0.417101  ?        ?         
1 1 1 54 0  32 o 0.671632 0.419049  0.541971     1.11462  0.541971     1.11462  0.541971     1.11462  0.620662 0.369549  ?        ?         
1 1 1 54 0  33 o 0.878933 0.476836  1.40227      1.16162  1.40227      1.16162  1.40227      1.16162  0.929574 0.416901  ?        ?         
1 1 1 54 0  34 o 0.59258  0.392336  0.15032      1.16526  0.15032      1.16526  0.15032      1.16526  0.520424 0.338747  ?        ?         
1 1 1 54 0  35 f 0.505166 0.356482  -0.753895    1.33342  -0.753895    1.33342  -0.753895    1.33342  0.41389  0.29381   ?        ?         
1 1 1 54 0  36 o 0.560876 0.389429  -0.219722    1.42073  -0.219722    1.42073  -0.219722    1.42073  0.484591 0.333525  ?        ?         
1 1 1 54 0  37 o 0.63498  0.433675  0.532256     1.63013  0.532256     1.63013  0.532256     1.63013  0.596695 0.393227  ?        ?         
1 1 1 54 0  38 o 0.692373 0.461999  1.36828      1.67442  1.36828      1.67442  1.36828      1.67442  0.718093 0.440005  ?        ?         
1 1 1 54 1  0  o 2.26144  0.16821   5.20659      0.751121 5.20659      0.751121 5.20659      0.751121 2.27182  0.117613  ?        ?         
1 1 1 54 1  1  o 4.07735  0.0771269 16.6362      0.628947 16.153       0.861565 17.1874      0.920265 4.01641  0.107256  4.14282  0.111067  
1 1 1 54 1  2  o 10.5817  0.0846133 112.066      1.79071  113.32       2.49227  110.728      2.57464  10.6367  0.117154  10.5135  0.122444  
1 1 1 54 1  3  o 6.53032  0.0694003 42.6694      0.906412 41.3521      1.28783  43.9626      1.27598  6.42673  0.100193  6.62678  0.0962743 
1 1 1 54 1  4  o 1.37035  0.182428  1.88549      0.499983 0.961789     0.709399 2.79722      0.704789 0.986765 0.317244  1.66794  0.211275  
1 1 1 54 1  5  o 4.85683  0.07022   23.6035      0.682093 23.6034      0.958596 23.6036      0.97077  4.85533  0.0987157 4.85528  0.0999706 
1 1 1 54 1  6  o 1.05013  0.249271  1.15639      0.516383 1.14781      0.76197  1.16367      0.702233 1.06317  0.326798  1.06243  0.310883  
1 1 1 54 1  7  o 3.7191   0.0829799 13.8449      0.617221 13.8244      0.877338 13.8649      0.868493 3.71453  0.118096  3.72005  0.116731  
1 1 1 54 1  8  o 3.28484  0.0923788 10.8034      0.606898 10.4116      0.866125 11.1813      0.850652 3.22249  0.134388  3.33993  0.127346  
1 1 1 54 1  9  o 2.73967  0.102932  7.51777      0.564    7.36439      0.837403 7.64511      0.76301  2.70882  0.15457   2.76097  0.138178  
1 1 1 54 1  10 o 2.04444  0.133545  4.19173      0.54605  4.47281      0.840536 3.98648      0.718262 2.10811  0.199357  1.99137  0.180344  
1 1 1 54 1  11 o 3.99448  0.0840685 15.9754      0.671619 17.2369      0.944059 14.6827      0.955674 4.14704  0.113823  3.82659  0.124873  
1 1 1 54 1  12 o 6.15909  0.0790613 37.9786      0.973892 37.2622      1.37826  38.693       1.37632  6.09701  0.113028  6.21325  0.110757  
1 1 1 54 1  13 o 2.28368  0.121078  5.23047      0.553008 6.43396      0.790881 4.07914      0.773551 2.53038  0.156277  2.0123   0.192206  
1 1 1 54 1  14 o 2.08992  0.135922  4.38474      0.568133 3.51141      0.784461 5.34813      0.823913 1.86528  0.210279  2.30493  0.178729  
1 1 1 54 1  15 o 3.58045  0.0936878 12.8454      0.670889 12.2822      0.93978  13.4307      0.958044 3.49739  0.134354  3.65764  0.130965  
1 1 1 54 1  16 o 3.19617  0.101732  10.2424      0.650304 9.9066       0.909169 10.5943      0.930541 3.13913  0.144812  3.24643  0.143318  
1 1 1 54 1  17 o 2.531    0.126465  6.43491      0.640164 6.83278      0.896594 6.02114      0.914323 2.60316  0.172213  2.44183  0.187221  
1 1 1 54 1  18 o 0.952685 0.285072  0.941865     0.585058 1.06616      0.818738 0.81217      0.836337 1.03359  0.341125  0.954771 0.343009  
1 1 1 54 1  19 f 0.548089 0.247127  -0.279238    0.572644 0.209979     0.795804 -0.804562    0.824648 0.770913 0.318338  0.59032  0.276712  
1 1 1 54 1  20 o 2.84927  0.124275  8.16339      0.708186 6.58942      0.996026 9.77261      1.00712  2.54943  0.195343  3.11139  0.161843  
1 1 1 54 1  21 o 3.32237  0.115693  11.0943      0.768749 11.0068      1.08851  11.1813      1.08584  3.30057  0.164898  3.32698  0.163187  
1 1 1 54 1  22 o 2.85058  0.132715  8.18346      0.75663  8.70339      1.0453   7.61123      1.09661  2.93123  0.178304  2.73656  0.200364  
1 1 1 54 1  23 o 2.37181  0.154025  5.69206      0.730636 5.27794      1.01311  6.14087      1.05469  2.26951  0.2232    2.45009  0.215235  
1 1 1 54 1  24 o 2.93851  0.133622  8.71891      0.785297 9.01026      1.12513  8.44216      1.09657  2.97272  0.189243  2.87709  0.19057   
1 1 1 54 1  25 o 2.92854  0.143314  8.68119      0.839405 8.15091      1.19822  9.19224      1.17629  2.81725  0.212657  2.99766  0.196201  
1 1 1 54 1  26 o 2.35548  0.175807  5.66104      0.828218 5.92568      1.19517  5.41655      1.14877  2.38535  0.250522  2.28007  0.251915  
1 1 1 54 1  27 o 2.08661  0.193144  4.47559      0.806034 4.35437      1.11332  4.60911      1.16849  2.03047  0.274153  2.08663  0.279994  
1 1 1 54 1  28 o 2.71223  0.157918  7.50044      0.856619 7.62106      1.22774  7.38601      1.19578  2.70641  0.226821  2.66549  0.224307  
1 1 1 54 1  29 o 1.6189   0.246883  2.7626       0.79936  2.89754      1.13394  2.62931      1.12702  1.58443  0.365098  1.50227  0.3757    
1 1 1 54 1  30 o 0.960279 0.338378  0.985346     0.8104   1.66689      1.15123  0.315873     1.14099  1.18761  0.404504  0.868358 0.370856  
1 1 1 54 1  31 o 2.1417   0.202602  4.82431      0.867822 5.20201      1.23667  4.45787      1.21811  2.17214  0.284665  1.99712  0.304968  
1 1 1 54 1  32 f 1.85263  0.218105  3.67976      0.808137 3.29743      1.15058  4.05201      1.13533  1.64001  0.36056   1.88809  0.300655  
1 1 1 54 1  33 o 1.711    0.239992  3.23843      0.821249 2.31597      1.1356   4.24981      1.18908  1.31034  0.398189  1.89721  0.313377  
1 1 1 54 1  34 o 0.650272 0.295539  -0.141069    0.839186 0.145484     1.19825  -0.416916    1.17565  0.792933 0.357504  0.711464 0.332924  
1 1 1 54 1  35 o 1.33321  0.352426  2.46197      0.954115 4.08663      1.36582  0.913493     1.33341  1.6482   0.414438  0.900525 0.392957  
1 1 1 54 1  36 o 1.08841  0.377907  1.94478      1.00762  3.31674      1.41187  0.52064      1.43847  1.31823  0.44796   0.807135 0.374019  
1 1 1 54 1  37 o 0.729002 0.337953  0.335577     1.17599  -1.72083     1.60806  2.69972      1.72419  0.630815 0.314552  1.04206  0.450691  
1 1 1 54 1  38 o 0.676503 0.323339  0.303742     1.22381  1.00657      1.66048  -0.53203     1.81073  0.752222 0.363515  0.663814 0.331397  
1 1 1 54 2  0  o 4.88764  0.106599  23.9397      1.04091  23.9397      1.04091  23.9397      1.04091  4.89023  0.0752961 ?        ?         
1 1 1 54 2  1  o 3.45494  0.0845775 11.9471      0.58442  11.9407      0.809368 11.9541      0.844756 3.45261  0.117211  3.45428  0.122277  
1 1 1 54 2  2  o 7.23261  0.0705111 52.343       1.01996  52.9884      1.44392  51.7003      1.44097  7.27484  0.0992404 7.18578  0.100265  
1 1 1 54 2  3  o 5.93975  0.0680328 35.3015      0.808196 35.8476      1.1654   34.7954      1.12177  5.98367  0.0973816 5.89537  0.0951403 
1 1 1 54 2  4  o 4.39288  0.072094  19.3106      0.633401 18.3758      0.86807  20.375       0.926291 4.28381  0.10132   4.51074  0.102676  
1 1 1 54 2  5  o 8.83416  0.0794923 78.1096      1.4045   79.2239      2.06975  77.1586      1.91212  8.89259  0.116375  8.77691  0.108929  
1 1 1 54 2  6  o 7.6077   0.0740237 57.9216      1.1263   57.4394      1.59729  58.3984      1.5884   7.57297  0.10546   7.63609  0.104006  
1 1 1 54 2  7  o 4.78862  0.0755013 22.9498      0.723094 23.1153      1.08071  22.8156      0.972972 4.80341  0.112494  4.77295  0.101926  
1 1 1 54 2  8  f 5.15588  0.0728616 26.6044      0.751331 26.1011      1.13101  27.0018      1.00517  5.10415  0.110793  5.19262  0.0967886 
1 1 1 54 2  9  o 5.82304  0.0740838 33.9376      0.862787 33.517       1.25558  34.3138      1.18759  5.78389  0.108541  5.85294  0.101452  
1 1 1 54 2  10 o 6.41103  0.0750521 41.141       0.962323 41.6763      1.40202  40.6642      1.32326  6.44915  0.108698  6.37092  0.103851  
1 1 1 54 2  11 o 1.97751  0.149062  3.92647      0.589544 3.05817      0.894519 4.59325      0.783877 1.73822  0.257309  2.13659  0.183441  
1 1 1 54 2  12 o 6.31437  0.0791897 39.9205      1.00007  40.1002      1.42816  39.7476      1.40085  6.32455  0.112906  6.29692  0.111233  
1 1 1 54 2  13 o 5.45539  0.0792979 29.7999      0.865202 29.8051      1.17681  29.7938      1.27642  5.45289  0.107907  5.4507   0.117087  
1 1 1 54 2  14 o 2.66653  0.108128  7.12874      0.576652 7.78096      0.841272 6.55072      0.791977 2.78246  0.151174  2.5527   0.155126  
1 1 1 54 2  15 o 0.828923 0.280675  0.653104     0.554276 0.254645     0.755688 1.11708      0.815447 0.769381 0.312719  1.05413  0.340254  
1 1 1 54 2  16 o 2.55452  0.12781   6.55461      0.652984 6.39038      0.887228 6.74871      0.964524 2.51738  0.17622   2.58571  0.186511  
1 1 1 54 2  17 o 2.57744  0.123384  6.6729       0.636028 6.97855      0.899844 6.36774      0.899116 2.63049  0.171041  2.51172  0.178984  
1 1 1 54 2  18 o 4.61305  0.0862619 21.3305      0.79586  18.3964      1.09837  24.5738      1.15478  4.27779  0.128381  4.94638  0.11673   
1 1 1 54 2  19 o 2.71597  0.125707  7.41793      0.682832 6.54388      0.957875 8.32101      0.973659 2.54201  0.188409  2.86988  0.169634  
1 1 1 54 2  20 o 2.11184  0.15986   4.50059      0.675199 3.43772      0.945666 5.6059       0.964359 1.83221  0.258067  2.34988  0.205193  
1 1 1 54 2  21 o 2.11409  0.162446  4.51605      0.68685  5.13743      0.975314 3.90467      0.96744  2.24569  0.217152  1.95241  0.247756  
1 1 1 54 2  22 o 1.77214  0.190534  3.19037      0.675308 3.7918       0.933281 2.52941      0.978374 1.92252  0.242723  1.52711  0.329708  
1 1 1 54 2  23 o 2.95112  0.126091  8.77921      0.74422  9.17285      1.05498  8.38926      1.05001  3.00534  0.175517  2.87225  0.182786  
1 1 1 54 2  24 o 3.70074  0.11555   13.7999      0.85524  14.539       1.23717  13.1234      1.18359  3.78412  0.163469  3.59479  0.164626  
1 1 1 54 2  25 o 4.54103  0.108784  20.7705      0.987982 19.8915      1.37949  21.6962      1.41564  4.42691  0.155808  4.62457  0.153056  
1 1 1 54 2  26 o 1.1847   0.315522  1.55281      0.761173 0.468156     1.08021  2.62252      1.07275  0.909809 0.372513  1.52638  0.357342  
1 1 1 54 2  27 o 1.31278  0.316675  1.92148      0.823067 3.08681      1.1029   0.45672      1.2365   1.65909  0.343939  0.946024 0.394097  
1 1 1 54 2  28 o 2.36966  0.174289  5.75909      0.826011 5.57761      1.16782  5.94078      1.16849  2.30019  0.253854  2.37775  0.245713  
1 1 1 54 2  29 o 0.922701 0.338495  0.832799     0.818194 1.52407      1.18888  0.210793     1.12774  1.16597  0.409949  0.855355 0.367107  
1 1 1 54 2  30 o 1.05732  0.338853  1.28187      0.809799 1.41473      1.14235  1.14765      1.14813  1.11459  0.400835  1.0467   0.397393  
1 1 1 54 2  31 o 1.96168  0.216336  4.0849       0.848764 4.18413      1.18546  3.98053      1.21578  1.92884  0.307298  1.83903  0.343308  
1 1 1 54 2  32 o 0.881779 0.333811  0.807487     0.808187 1.51404      1.14096  0.0960012    1.14494  1.10393  0.400235  0.804095 0.356577  
1 1 1 54 2  33 o 2.03312  0.211539  4.48347      0.860168 4.66766      1.1945   4.28508      1.23968  1.99937  0.298719  1.85749  0.346587  
1 1 1 54 2  34 o 0.864071 0.334607  0.865928     0.825484 0.274422     1.16304  1.46641      1.17183  0.797133 0.356052  1.0295   0.39867   
1 1 1 54 2  35 o 1.61596  0.304989  3.32356      0.949688 3.14783      1.34283  3.4994       1.34329  1.3882   0.43528   1.48625  0.428395  
1 1 1 54 2  36 o 0.620304 0.297893  -0.522549    1.07041  -0.122577    1.51405  -0.922242    1.51352  0.739219 0.354828  0.67603  0.331171  
1 1 1 54 2  37 o 0.788049 0.349753  0.805986     1.10462  0.80335      1.54402  0.80875      1.58098  0.809508 0.379309  0.811625 0.380932  
1 1 1 54 3  0  o 7.26416  0.105501  52.8402      1.53202  52.8402      1.53202  52.8402      1.53202  7.26665  0.0745572 ?        ?         
1 1 1 54 3  1  o 8.62888  0.0760057 74.5148      1.31169  76.0472      1.8747   73.0451      1.83592  8.71381  0.107571  8.54009  0.107488  
1 1 1 54 3  2  o 8.20362  0.0713038 67.3454      1.1699   66.725       1.64671  67.9777      1.66238  8.16295  0.100865  8.23922  0.100882  
1 1 1 54 3  3  o 3.87303  0.0763229 15.0124      0.591202 16.57        0.849887 13.5519      0.822936 4.06759  0.10447   3.67814  0.111869  
1 1 1 54 3  4  o 9.29572  0.0775363 86.4828      1.44151  87.629       2.05612  85.3749      2.02153  9.35315  0.109916  9.23213  0.109483  
1 1 1 54 3  5  f 6.4059   0.0692705 41.0636      0.88748  39.949       1.25172  42.1904      1.25848  6.31607  0.0990898 6.49104  0.09694   
1 1 1 54 3  6  o 5.16778  0.0708088 26.7257      0.731849 26.7495      1.05732  26.7038      1.01402  5.16799  0.102296  5.16388  0.0981834 
1 1 1 54 3  7  o 2.78689  0.0974137 7.77795      0.542962 7.98893      0.817138 7.61115      0.726547 2.82192  0.144784  2.75515  0.131853  
1 1 1 54 3  8  o 8.254    0.0752521 68.1905      1.24226  67.8108      1.74774  68.5781      1.76605  8.22721  0.106217  8.27356  0.106729  
1 1 1 54 3  9  o 4.71594  0.0733519 22.2605      0.691846 21.8445      0.992829 22.6533      0.964618 4.66927  0.106315  4.75534  0.101425  
1 1 1 54 3  10 o 2.31028  0.113754  5.34995      0.525607 5.69886      0.739017 4.99278      0.747699 2.38201  0.155125  2.22874  0.16774   
1 1 1 54 3  11 f 3.80387  0.0862586 14.4903      0.656233 14.486       0.998761 14.4936      0.87051  3.79969  0.131427  3.80222  0.114474  
1 1 1 54 3  12 o 6.05356  0.0774179 36.6904      0.937308 35.8875      1.39177  37.3568      1.26797  5.98241  0.116322  6.10535  0.103841  
1 1 1 54 3  13 o 2.12854  0.134379  4.54826      0.57206  5.63121      0.879117 3.75292      0.753389 2.36431  0.185914  1.92941  0.195238  
1 1 1 54 3  14 o 4.76924  0.0793056 22.7791      0.756454 22.9425      1.0533   22.6051      1.08708  4.78306  0.110107  4.74721  0.114496  
1 1 1 54 3  15 o 0.820911 0.279762  0.636863     0.550676 1.12859      0.769043 0.119433     0.788883 1.05035  0.329419  0.748842 0.313549  
1 1 1 54 3  16 o 9.18641  0.0920304 84.5932      1.69086  85.184       2.37222  83.9832      2.41072  9.20799  0.128813  9.14184  0.131851  
1 1 1 54 3  17 o 2.04385  0.150757  4.20636      0.616249 4.57532      0.866832 3.82932      0.876258 2.12551  0.203911  1.94179  0.225632  
1 1 1 54 3  18 o 3.42126  0.103204  11.7467      0.706177 11.8792      0.995445 11.6125      1.00196  3.43443  0.144921  3.39522  0.147554  
1 1 1 54 3  19 o 5.56778  0.093804  31.0983      1.04456  33.8818      1.44191  28.0245      1.51528  5.8046   0.124204  5.27413  0.143652  
1 1 1 54 3  20 o 3.72016  0.101078  13.8926      0.752051 13.3097      1.04025  14.5307      1.08851  3.63426  0.143117  3.79726  0.143329  
1 1 1 54 3  21 o 3.06023  0.120617  9.41961      0.738231 9.66641      1.02183  9.15015      1.06771  3.09207  0.165234  3.00582  0.177608  
1 1 1 54 3  22 o 1.73303  0.191295  3.05725      0.66304  2.38155      0.91815  3.79365      0.958511 1.4807   0.319148  1.91883  0.249765  
1 1 1 54 3  23 o 3.08161  0.123571  9.57258      0.761595 9.69808      1.07768  9.44737      1.07644  3.0895   0.17441   3.04871  0.176539  
1 1 1 54 3  24 o 2.18183  0.178013  4.84851      0.776788 4.86801      1.15326  4.83231      1.05094  2.16181  0.266735  2.16119  0.243141  
1 1 1 54 3  25 o 0.892699 0.327509  0.722326     0.765957 0.635993     1.08636  0.80767      1.08012  0.952375 0.379749  0.99115  0.382972  
1 1 1 54 3  26 o 0.69995  0.300859  0.0341079    0.759415 -0.259914    1.084    0.3175       1.06422  0.771135 0.344108  0.870645 0.36434   
1 1 1 54 3  27 o 3.70497  0.126849  13.8958      0.939942 13.8612      1.24477  13.9416      1.43372  3.683    0.168989  3.68078  0.194758  
1 1 1 54 3  28 f 0.821925 0.325809  0.492009     0.795354 0.653803     1.11527  0.324565     1.13458  0.947408 0.381963  0.88401  0.373351  
1 1 1 54 3  29 o 1.47008  0.288099  2.40871      0.816857 4.38056      1.20406  0.727268     1.11186  2.00177  0.300748  0.952421 0.382456  
1 1 1 54 3  30 o 0.97934  0.339996  1.05818      0.81557  1.14064      1.1317   0.96907      1.17638  1.03944  0.394567  1.00514  0.396931  
1 1 1 54 3  31 o 2.33202  0.182849  5.68981      0.852816 6.08282      1.2013   5.2905       1.21088  2.36277  0.254214  2.18686  0.276854  
1 1 1 54 3  32 o 1.39884  0.302733  2.32171      0.823015 3.08208      1.17803  1.59671      1.1503   1.54696  0.382432  1.11655  0.402159  
1 1 1 54 3  33 o 0.967943 0.341121  1.14211      0.823614 1.47919      1.1632   0.803198     1.16634  1.06687  0.401384  0.916025 0.38225   
1 1 1 54 3  34 o 0.596705 0.280141  -0.472334    0.857286 0.410667     1.2249   -1.32016     1.20025  0.821054 0.366103  0.615704 0.300183  
1 1 1 54 3  35 o 1.00971  0.365129  1.48156      0.949046 2.01351      1.38628  1.01234      1.30199  1.0906   0.430823  0.904027 0.391326  
1 1 1 54 3  36 o 0.734961 0.332694  0.458741     1.04804  0.602117     1.43211  0.293418     1.53783  0.79198  0.369372  0.769102 0.366198  
1 1 1 54 3  37 o 1.38813  0.411783  3.56422      1.22434  3.76618      1.68281  3.33707      1.78462  1.18842  0.473023  1.08296  0.463198  
1 1 1 54 4  0  o 3.42679  0.121083  11.7988      0.827503 11.7988      0.827503 11.7988      0.827503 3.43088  0.085394  ?        ?         
1 1 1 54 4  1  o 5.95669  0.070741  35.5072      0.842765 36.5556      1.1624   34.3453      1.22365  6.04218  0.0961907 5.85597  0.104479  
1 1 1 54 4  2  o 6.887    0.0687069 47.4625      0.946369 47.2593      1.31645  47.6798      1.36142  6.87005  0.0958105 6.90027  0.0986498 
1 1 1 54 4  3  o 2.67423  0.101459  7.16208      0.54265  6.65668      0.782765 7.62971      0.75295  2.57576  0.151948  2.75848  0.136479  
1 1 1 54 4  4  f 2.62794  0.100471  6.91626      0.528065 7.38584      0.776715 6.51264      0.720089 2.71359  0.143116  2.54824  0.141291  
1 1 1 54 4  5  o 4.90668  0.0702907 24.0933      0.689788 23.5642      0.990463 24.5917      0.961209 4.85047  0.1021    4.95547  0.0969846 
1 1 1 54 4  6  o 4.36707  0.073948  19.0875      0.645872 20.0331      0.915917 18.1521      0.910905 4.47216  0.102402  4.25671  0.106996  
1 1 1 54 4  7  o 6.352    0.0721875 40.3821      0.91707  40.6989      1.39208  40.1392      1.21896  6.37333  0.109211  6.33074  0.0962733 
1 1 1 54 4  8  o 3.91967  0.0756001 15.3789      0.592656 16.8471      0.876335 14.1414      0.804543 4.10047  0.106858  3.75678  0.107079  
1 1 1 54 4  9  o 2.11068  0.12063   4.46674      0.509224 4.37121      0.742859 4.55141      0.699406 2.08472  0.178167  2.12817  0.164321  
1 1 1 54 4  10 o 2.41731  0.108122  5.85652      0.522729 6.03948      0.75119  5.68475      0.727862 2.452    0.153179  2.37892  0.152981  
1 1 1 54 4  11 o 4.74548  0.0772496 22.5467      0.733172 22.0216      1.03617  23.0733      1.03755  4.68696  0.110538  4.79782  0.108128  
1 1 1 54 4  12 o 3.31044  0.0904116 10.9779      0.598604 11.3597      0.893385 10.6669      0.806391 3.36421  0.132778  3.2608   0.123649  
1 1 1 54 4  13 o 1.76887  0.158941  3.1469       0.562289 3.13563      0.880442 3.15467      0.730717 1.75829  0.250368  1.76758  0.2067    
1 1 1 54 4  14 o 3.85461  0.0924014 14.8897      0.712342 14.9748      1.04881  14.8168      0.970542 3.86087  0.135826  3.84163  0.126319  
1 1 1 54 4  15 o 1.4156   0.203614  2.02694      0.576473 2.20872      0.776763 1.80405      0.860105 1.44801  0.27814   1.29903  0.330232  
1 1 1 54 4  16 o 5.40731  0.08402   29.3002      0.908645 29.1993      1.21229  29.4295      1.37263  5.39362  0.112382  5.41209  0.126812  
1 1 1 54 4  17 o 2.64131  0.121799  7.00956      0.643418 7.39014      0.894395 6.60134      0.926303 2.70657  0.165227  2.55578  0.181217  
1 1 1 54 4  18 o 0.648257 0.273816  0.055629     0.610384 -1.49654     0.855305 1.66656      0.871345 0.521954 0.254283  1.24473  0.340349  
1 1 1 54 4  19 f 3.85873  0.103041  14.9463      0.795212 14.3153      1.10045  15.6359      1.15041  3.76908  0.145984  3.93908  0.146025  
1 1 1 54 4  20 o 3.98012  0.102356  15.9069      0.814775 15.11        1.07576  16.979       1.24782  3.87244  0.1389    4.10186  0.152104  
1 1 1 54 4  21 o 2.89292  0.124944  8.42415      0.722905 8.44365      0.979616 8.40084      1.07119  2.88817  0.169591  2.87728  0.186147  
1 1 1 54 4  22 o 0.878843 0.30782   0.734796     0.669762 0.256256     0.929475 1.25163      0.965952 0.825291 0.342609  1.10314  0.370526  
1 1 1 54 4  23 o 3.10395  0.12569   9.71957      0.780269 9.67166      1.1151   9.76552      1.09219  3.08175  0.18092   3.09808  0.176269  
1 1 1 54 4  24 o 1.29808  0.294686  1.83684      0.747743 1.53358      1.09234  2.10425      1.02574  1.19375  0.394022  1.37127  0.366756  
1 1 1 54 4  25 o 1.12267  0.321369  1.38493      0.758516 1.67659      1.07487  1.09561      1.07055  1.22976  0.390017  1.06233  0.387439  
1 1 1 54 4  26 o 1.68885  0.23598   2.97127      0.797071 2.59876      1.09012  3.39919      1.1684   1.51123  0.364386  1.74249  0.347577  
1 1 1 54 4  27 o 1.56507  0.280329  2.66574      0.845712 2.93554      1.18437  2.38505      1.20801  1.59893  0.376216  1.43025  0.404338  
1 1 1 54 4  28 o 1.633    0.249245  2.8132       0.814037 3.11659      1.12395  2.47847      1.18058  1.65233  0.350723  1.44988  0.396042  
1 1 1 54 4  29 o 2.70379  0.162147  7.52293      0.876824 7.46237      1.21977  7.58768      1.26131  2.65516  0.229697  2.67332  0.235907  
1 1 1 54 4  30 o 0.614726 0.283285  -0.450004    0.810522 -0.918337    1.15673  0.00173806   1.13605  0.684329 0.322396  0.805007 0.356312  
1 1 1 54 4  31 o 2.18834  0.192618  5.05131      0.84303  5.51596      1.1835   4.57271      1.20114  2.2363   0.264612  2.01055  0.29871   
1 1 1 54 4  32 o 0.580047 0.272098  -0.563401    0.802782 -0.293301    1.14387  -0.825565    1.12693  0.735319 0.337903  0.664124 0.314916  
1 1 1 54 4  33 o 0.800717 0.323908  0.593054     0.805807 1.0169       1.13137  0.156675     1.14798  0.947235 0.383545  0.790136 0.353311  
1 1 1 54 4  34 o 0.880788 0.342371  0.970766     0.865929 1.50802      1.23325  0.448314     1.21615  1.01413  0.404535  0.817468 0.36464   
1 1 1 54 4  35 o 0.76023  0.333445  0.475679     0.970344 1.39235      1.38772  -0.401283    1.35733  0.953225 0.408107  0.716075 0.341838  
1 1 1 54 4  36 o 0.577053 0.280074  -0.719465    1.0167   0.162584     1.37213  -1.79331     1.51398  0.728826 0.346492  0.607322 0.30317   
1 1 1 54 4  37 f 0.82286  0.364346  1.32507      1.1893   1.33739      1.64659  1.31163      1.71966  0.802041 0.380478  0.798646 0.382093  
1 1 1 54 5  0  o 8.03813  0.113925  64.7123      1.83066  64.7123      1.83066  64.7123      1.83066  8.04125  0.0805077 ?        ?         
1 1 1 54 5  1  o 9.66231  0.080031  93.4488      1.54657  94.6945      2.13241  92.0663      2.2464   9.72238  0.109665  9.58529  0.117179  
1 1 1 54 5  2  o 6.02548  0.0689425 36.3321      0.830823 36.6628      1.15023  35.9715      1.20136  6.05086  0.0950469 5.99308  0.100229  
1 1 1 54 5  3  o 0.647139 0.259018  0.207092     0.507607 -0.326645    0.727039 0.714717     0.709031 0.625765 0.280455  0.896476 0.316446  
1 1 1 54 5  4  o 2.55138  0.104572  6.52055      0.533603 6.61519      0.781558 6.43792      0.730304 2.56734  0.152211  2.53319  0.144147  
1 1 1 54 5  5  o 3.08848  0.0835539 9.54935      0.516108 9.26178      0.733011 9.83206      0.726803 3.03975  0.120571  3.13221  0.116021  
1 1 1 54 5  6  o 6.85937  0.0693567 47.0886      0.951485 47.0879      1.35457  47.0893      1.33681  6.85645  0.0987806 6.85669  0.0974824 
1 1 1 54 5  7  o 1.64857  0.144749  2.72775      0.477257 2.3493       0.689549 3.07575      0.66123  1.5259   0.225947  1.74829  0.189108  
1 1 1 54 5  8  o 5.04178  0.0707648 25.4429      0.713562 26.4761      1.04684  24.5461      0.975219 5.14061  0.101821  4.95     0.0985069 
1 1 1 54 5  9  o 5.57597  0.0705581 31.1213      0.78686  30.2815      1.12254  31.9325      1.10329  5.49734  0.102098  5.64569  0.0977104 
1 1 1 54 5  10 o 11.384   0.0934626 129.824      2.12796  132.312      3.12872  127.683      2.90275  11.4813  0.136253  11.2809  0.128657  
1 1 1 54 5  11 o 4.70913  0.0757265 22.2026      0.713211 22.4523      1.04336  21.9836      0.977157 4.73239  0.110236  4.68335  0.104322  
1 1 1 54 5  12 o 6.89574  0.0782125 47.6164      1.07867  48.7179      1.57406  46.6412      1.48111  6.96992  0.112918  6.82048  0.108578  
1 1 1 54 5  13 o 5.92605  0.0794718 35.172       0.941909 35.5006      1.38227  34.8872      1.28695  5.9485   0.116187  5.89802  0.1091    
1 1 1 54 5  14 o 4.69726  0.0894911 22.1117      0.840726 20.5557      1.24822  23.4037      1.13742  4.52238  0.138004  4.82882  0.117774  
1 1 1 54 5  15 o 1.6368   0.185774  2.70583      0.608152 3.14517      0.883983 2.31104      0.837973 1.7576   0.251475  1.47775  0.293966  
1 1 1 54 5  16 o 4.36676  0.0916376 19.1181      0.800319 20.1775      1.08002  17.8279      1.19188  4.48185  0.120488  4.20923  0.141579  
1 1 1 54 5  17 o 1.20488  0.256942  1.53901      0.600863 0.90534      0.871055 2.11425      0.829932 0.989478 0.350595  1.40615  0.303732  
1 1 1 54 5  18 o 2.16465  0.155848  4.72667      0.674715 4.03583      0.928616 5.49921      0.982001 1.9894   0.233391  2.32634  0.211061  
1 1 1 54 5  19 o 5.03289  0.0931057 25.4121      0.937182 25.9779      1.27025  24.7361      1.38836  5.08195  0.124976  4.9553   0.140089  
1 1 1 54 5  20 o 1.81936  0.181134  3.35352      0.659097 4.3715       0.896356 2.15524      0.972501 2.07137  0.216368  1.40725  0.347215  
1 1 1 54 5  21 o 0.920216 0.305899  0.850239     0.658374 0.825825     0.922212 0.875615     0.940212 0.970231 0.358898  0.988667 0.362842  
1 1 1 54 5  22 o 2.87167  0.130448  8.31871      0.749207 8.15031      1.06368  8.48451      1.05545  2.82922  0.187981  2.88806  0.182726  
1 1 1 54 5  23 o 2.99838  0.131079  9.07954      0.786051 9.37213      1.13165  8.80677      1.09266  3.03094  0.186684  2.93833  0.185932  
1 1 1 54 5  24 o 2.15807  0.177793  4.74862      0.767378 5.51435      1.10601  4.03784      1.06559  2.30706  0.239701  1.96463  0.271193  
1 1 1 54 5  25 o 2.30237  0.169572  5.40787      0.780836 6.66181      1.0943   4.10717      1.11451  2.54008  0.215407  1.9722   0.282557  
1 1 1 54 5  26 o 1.58667  0.253056  2.63972      0.803031 3.13923      1.10558  2.08189      1.16833  1.67444  0.341958  1.3445   0.402953  
1 1 1 54 5  27 o 2.52691  0.165763  6.53404      0.837737 7.25935      1.20161  5.84807      1.16856  2.63708  0.22783   2.35785  0.247802  
1 1 1 54 5  28 o 1.65781  0.246915  2.90854      0.818678 2.56793      1.12467  3.29244      1.19401  1.47727  0.37886   1.68527  0.364564  
1 1 1 54 5  29 o 2.98103  0.14793   9.11355      0.881969 9.29959      1.23138  8.91758      1.26383  2.97605  0.206882  2.9071   0.21737   
1 1 1 54 5  30 o 2.15984  0.193673  4.89236      0.836604 4.35193      1.20491  5.39541      1.16251  1.96934  0.305917  2.22587  0.261135  
1 1 1 54 5  31 o 0.64495  0.290633  -0.174637    0.790881 -0.739558    1.07852  0.482514     1.16323  0.666723 0.313284  0.877699 0.374637  
1 1 1 54 5  32 o 1.80961  0.235077  3.61276      0.850793 3.87804      1.18681  3.3323       1.22029  1.76488  0.348639  1.593    0.386423  
1 1 1 54 5  33 o 1.99898  0.212317  4.40305      0.848836 4.22967      1.2083   4.57199      1.19273  1.81525  0.345269  1.94123  0.307209  
1 1 1 54 5  34 o 0.823929 0.340655  0.74234      0.913076 1.00508      1.32239  0.502943     1.26228  0.913616 0.394913  0.82775  0.370297  
1 1 1 54 5  35 o 0.789021 0.338546  0.741945     0.958638 1.82592      1.32448  -0.450679    1.38927  0.999632 0.411422  0.698028 0.336228  
1 1 1 54 5  36 o 0.591745 0.285536  -0.583566    1.01283  -1.85297     1.4057   0.786912     1.46059  0.586013 0.292476  0.80839  0.375477  
1 1 1 54 5  37 o 0.589522 0.289852  -0.600061    1.1781   1.27022      1.66171  -2.49017     1.67049  0.774411 0.371722  0.562693 0.286082  
1 1 1 54 6  0  o 1.73552  0.222282  3.16851      0.743144 3.16851      0.743144 3.16851      0.743144 1.75906  0.151974  ?        ?         
1 1 1 54 6  1  o 8.73415  0.0771707 76.3571      1.34804  76.2315      1.86422  76.4948      1.95162  8.72313  0.106855  8.73745  0.111681  
1 1 1 54 6  2  o 4.65918  0.0735507 21.7267      0.685372 22.5717      0.975405 20.9027      0.963234 4.74694  0.102741  4.56785  0.105436  
1 1 1 54 6  3  o 1.12079  0.235481  1.31507      0.511096 1.63053      0.747874 1.03862      0.700087 1.24303  0.303129  1.01205  0.313685  
1 1 1 54 6  4  o 7.52739  0.0732526 56.7123      1.1028   56.4933      1.59057  56.915       1.53037  7.50913  0.105909  7.53768  0.101515  
1 1 1 54 6  5  o 10.306   0.0848096 106.345      1.74809  106.197      2.54363  106.477      2.40641  10.2916  0.123579  10.3066  0.116742  
1 1 1 54 6  6  o 8.67487  0.0744509 75.3279      1.29171  75.0387      1.83986  75.609       1.81391  8.65372  0.106304  8.68685  0.104406  
1 1 1 54 6  7  o 2.07568  0.119378  4.31985      0.495581 4.97305      0.730979 3.76421      0.674176 2.22445  0.164305  1.9347   0.174233  
1 1 1 54 6  8  o 2.77904  0.0912713 7.7356       0.507293 6.97296      0.706403 8.54773      0.728971 2.63604  0.133989  2.91923  0.124857  
1 1 1 54 6  9  o 1.33165  0.180018  1.78491      0.479444 1.76714      0.700474 1.80058      0.657624 1.29476  0.278491  1.31091  0.260072  
1 1 1 54 6  10 o 2.69477  0.0992036 7.27676      0.534661 7.95027      0.774696 6.66416      0.738829 2.81408  0.137646  2.576    0.143406  
1 1 1 54 6  11 o 6.96567  0.07555   48.582       1.05251  48.9844      1.45515  48.1405      1.5242   6.99053  0.10408   6.92909  0.109986  
1 1 1 54 6  12 o 6.8828   0.0775887 47.4411      1.06806  49.1303      1.583    46.0295      1.44706  6.99862  0.113094  6.77529  0.106789  
1 1 1 54 6  13 o 0.846591 0.283405  0.691822     0.565109 0.617596     0.822244 0.758269     0.777962 0.894413 0.337257  0.92502  0.330971  
1 1 1 54 6  14 o 5.74085  0.0858513 33.0261      0.985719 33.6199      1.36206  32.3732      1.42833  5.78702  0.117682  5.67714  0.125797  
1 1 1 54 6  15 o 1.44196  0.203555  2.10527      0.587038 1.75075      0.892549 2.37555      0.779317 1.27835  0.342214  1.50327  0.268922  
1 1 1 54 6  16 o 1.2759   0.243044  1.71122      0.597893 1.51142      0.885056 1.87894      0.810899 1.19305  0.348984  1.3243   0.311106  
1 1 1 54 6  17 o 3.2409   0.112292  10.5512      0.727856 9.66737      1.0366   11.4107      1.02224  3.09354  0.167543  3.36394  0.151941  
1 1 1 54 6  18 o 5.38107  0.0895469 29.0389      0.963716 28.1505      1.27799  30.2099      1.46734  5.2918   0.120752  5.47865  0.133915  
1 1 1 54 6  19 o 1.03212  0.289439  1.13276      0.621455 0.759848     0.856913 1.54651      0.902605 0.939205 0.34623   1.2016   0.352729  
1 1 1 54 6  20 o 0.558822 0.253996  -0.349877    0.62011  -0.50035     0.841275 -0.170852    0.917627 0.643395 0.293345  0.735741 0.323472  
1 1 1 54 6  21 o 1.47188  0.22632   2.22206      0.666231 1.88462      0.926135 2.58395      0.959114 1.31014  0.34763   1.54228  0.321499  
1 1 1 54 6  22 o 2.47348  0.146537  6.19017      0.724914 5.45115      1.02468  6.93062      1.02568  2.3036   0.222409  2.60495  0.196872  
1 1 1 54 6  23 o 0.90087  0.322117  0.763368     0.736791 1.35158      1.07235  0.237368     1.01405  1.13948  0.390399  0.845425 0.354809  
1 1 1 54 6  24 o 2.72261  0.146524  7.51578      0.797857 7.58666      1.11101  7.4403       1.14651  2.7176   0.204411  2.6881   0.213256  
1 1 1 54 6  25 o 1.74111  0.230682  3.15156      0.803286 3.40831      1.05391  2.79562      1.24088  1.78953  0.294467  1.55458  0.397519  
1 1 1 54 6  26 o 1.57709  0.261758  2.61796      0.825633 2.22716      1.13678  3.05424      1.20112  1.38871  0.392121  1.63395  0.375245  
1 1 1 54 6  27 o 0.927064 0.333421  0.850651     0.790427 1.00672      1.10287  0.685813     1.13342  1.02827  0.389749  0.958746 0.385668  
1 1 1 54 6  28 o 0.990565 0.342123  1.05854      0.8249   1.05246      1.17957  1.06437      1.15402  1.0391   0.400481  1.03815  0.397162  
1 1 1 54 6  29 o 0.538014 0.257361  -0.89574     0.779444 -1.16785     1.06757  -0.585096    1.14066  0.626087 0.2999    0.721569 0.333867  
1 1 1 54 6  30 o 0.726941 0.310723  0.178856     0.80217  0.31302      1.12713  0.041152     1.1419   0.849529 0.365868  0.806648 0.357109  
1 1 1 54 6  31 o 0.797953 0.320368  0.541202     0.779963 0.363645     1.07282  0.740272     1.13595  0.828404 0.35686   0.915969 0.379412  
1 1 1 54 6  32 o 0.754984 0.317938  0.369912     0.818875 0.085522     1.1471   0.665444     1.16935  0.786452 0.35238   0.890958 0.377792  
1 1 1 54 6  33 o 0.523487 0.253625  -0.994123    0.82725  -0.826552    1.18462  -1.15362     1.15573  0.65978  0.316009  0.619299 0.299967  
1 1 1 54 6  34 o 0.566646 0.273018  -0.829986    0.917549 0.0611791    1.31624  -1.67242     1.27975  0.773034 0.358048  0.601768 0.296367  
1 1 1 54 6  35 o 0.75721  0.334044  0.599835     0.987316 0.679005     1.36737  0.5136       1.42709  0.804467 0.36958   0.789394 0.368382  
1 1 1 54 6  36 o 0.755148 0.341697  0.613683     1.10445  1.00877      1.46924  0.100364     1.67471  0.827083 0.381245  0.752127 0.363744  
1 1 1 54 7  0  o 2.00561  0.182813  4.13281      0.719294 4.13281      0.719294 4.13281      0.719294 2.01966  0.127069  ?        ?         
1 1 1 54 7  1  f 7.50225  0.0739157 56.336       1.10907  55.1965      1.49892  57.7145      1.64867  7.42296  0.100965  7.58934  0.108617  
1 1 1 54 7  2  o 4.73401  0.0724741 22.4311      0.686186 21.8261      0.974242 23.0266      0.96663  4.66745  0.104366  4.79439  0.100808  
1 1 1 54 7  3  o 0.506502 0.22525   -0.177716    0.460951 -0.792565    0.651882 0.437135     0.651883 0.50515  0.239524  0.78422  0.298942  
1 1 1 54 7  4  o 7.3943   0.0703275 54.724       1.04005  54.1503      1.47982  55.284       1.46203  7.352    0.100641  7.42886  0.0984022 
1 1 1 54 7  5  o 3.12131  0.0866518 9.75604      0.540935 8.92596      0.763248 10.5938      0.766758 2.98314  0.127927  3.25064  0.11794   
1 1 1 54 7  6  o 10.542   0.0871576 111.294      1.83763  111.466      2.53276  111.103      2.67029  10.5433  0.120112  10.5244  0.126862  
1 1 1 54 7  7  o 7.69561  0.07348   59.2857      1.13095  59.9797      1.62305  58.6306      1.57676  7.73627  0.104899  7.64906  0.103069  
1 1 1 54 7  8  o 7.50145  0.0721492 56.3313      1.08245  56.2644      1.56674  56.3925      1.49725  7.49267  0.104552  7.50193  0.0997907 
1 1 1 54 7  9  o 1.25958  0.188534  1.5984       0.474946 1.30392      0.684538 1.87173      0.659512 1.11265  0.300529  1.33761  0.255664  
1 1 1 54 7  10 o 8.76051  0.079677  76.8545      1.39602  75.6235      1.97917  78.0734      1.96941  8.68375  0.113958  8.82381  0.111596  
1 1 1 54 7  11 f 3.68942  0.082945  13.634       0.612038 14.4177      0.877356 12.8911      0.854213 3.79107  0.115714  3.5844   0.119157  
1 1 1 54 7  12 o 1.03828  0.259815  1.13953      0.538745 1.22644      0.764285 1.05369      0.759537 1.08615  0.325989  1.02227  0.328224  
1 1 1 54 7  13 o 1.11642  0.249811  1.31716      0.543741 0.856559     0.780255 1.75203      0.758154 0.956753 0.332515  1.28282  0.300467  
1 1 1 54 7  14 o 2.12078  0.132984  4.52129      0.564059 4.50406      0.831096 4.53601      0.76803  2.11026  0.196918  2.11957  0.181176  
1 1 1 54 7  15 o 1.3289   0.220955  1.79326      0.587256 1.08074      0.862414 2.40929      0.801895 1.04501  0.350106  1.5117   0.275427  
1 1 1 54 7  16 o 3.83934  0.10023   14.7918      0.769631 13.0021      1.16388  16.1825      1.02597  3.5894   0.162127  4.0113   0.127884  
1 1 1 54 7  17 o 5.80085  0.103156  33.7784      1.19678  32.7609      1.55729  35.2462      1.87041  5.70451  0.136496  5.91013  0.158238  
1 1 1 54 7  18 o 2.23507  0.144357  5.03485      0.645295 6.06698      0.87486  3.80329      0.955652 2.44834  0.178664  1.92786  0.247852  
1 1 1 54 7  19 o 1.3742   0.221834  1.92563      0.609686 1.85806      0.840397 2.00071      0.88585  1.31058  0.322409  1.35891  0.32899   
1 1 1 54 7  20 o 1.34778  0.247683  1.92387      0.64268  1.50371      0.879429 2.40544      0.941517 1.1806   0.348684  1.48748  0.325423  
1 1 1 54 7  21 o 3.49099  0.111991  12.2651      0.781921 12.4259      1.10488  12.1037      1.10673  3.50282  0.157713  3.45644  0.160097  
1 1 1 54 7  22 o 1.12523  0.307306  1.37927      0.71089  0.835698     0.981434 1.97927      1.0311   0.980473 0.368729  1.33265  0.372535  
1 1 1 54 7  23 o 1.41878  0.271059  2.16467      0.741635 2.4501       1.03798  1.86698      1.06003  1.48129  0.354556  1.29323  0.38306   
1 1 1 54 7  24 o 3.17047  0.126648  10.1621      0.803066 10.0213      1.12503  10.3083      1.14669  3.13131  0.179643  3.17547  0.180554  
1 1 1 54 7  25 o 3.03794  0.144543  9.37434      0.878228 8.98999      1.14624  9.92072      1.36663  2.95678  0.193832  3.09338  0.220896  
1 1 1 54 7  26 o 1.87624  0.213983  3.65028      0.802968 4.47677      1.13437  2.82031      1.13677  2.05364  0.276186  1.56851  0.368268  
1 1 1 54 7  27 o 0.998523 0.332708  1.07429      0.778834 1.19206      1.08131  0.94732      1.12273  1.07168  0.389524  1.0149   0.390804  
1 1 1 54 7  28 o 1.98022  0.209473  4.11356      0.829606 4.6991       1.15224  3.48331      1.19543  2.08002  0.276978  1.72321  0.358712  
1 1 1 54 7  29 o 1.27172  0.311484  1.87636      0.78703  1.70673      1.0751   2.07224      1.15527  1.18788  0.390901  1.29206  0.40346   
1 1 1 54 7  30 o 1.99776  0.204084  4.23573      0.81542  4.44385      1.11302  3.99461      1.19802  1.99746  0.27861   1.8329   0.339566  
1 1 1 54 7  31 o 0.698028 0.307065  0.0712038    0.82786  -0.0995258   1.17755  0.238059     1.16411  0.771905 0.350624  0.820987 0.36238   
1 1 1 54 7  32 o 0.864905 0.331797  0.820223     0.80723  0.950208     1.11809  0.6787       1.16665  0.934584 0.380209  0.886364 0.376663  
1 1 1 54 7  33 o 0.791711 0.328667  0.611758     0.855369 1.58739      1.27078  -0.196459    1.15662  1.03445  0.411268  0.717918 0.333714  
1 1 1 54 7  34 o 0.912498 0.358647  1.13924      0.956188 1.00956      1.34796  1.27059      1.35659  0.902536 0.394454  0.945778 0.404164  
1 1 1 54 7  35 o 0.703796 0.320018  0.33299      0.986549 0.823104     1.41413  -0.131724    1.377    0.811876 0.374155  0.706967 0.339114  
1 1 1 54 7  36 f 0.964715 0.393522  1.94162      1.201    2.33861      1.5411   1.32761      1.91658  0.967646 0.422348  0.831421 0.399117  
1 1 1 54 8  0  o 5.74019  0.102408  33.0126      1.17484  33.0126      1.17484  33.0126      1.17484  5.74292  0.072353  ?        ?         
1 1 1 54 8  1  o 8.03393  0.0778625 64.6153      1.25108  64.9469      1.79047  64.2989      1.74886  8.04986  0.111211  8.00994  0.109168  
1 1 1 54 8  2  o 2.60035  0.107634  6.77622      0.559774 6.59923      0.81102  6.93725      0.773585 2.56298  0.158218  2.62862  0.147146  
1 1 1 54 8  3  f 4.97381  0.0680766 24.7603      0.677201 24.4792      0.965555 25.0323      0.950047 4.94324  0.0976642 4.99901  0.0950236 
1 1 1 54 8  4  o 3.85104  0.0749436 14.8464      0.577222 14.9316      0.83988  14.7702      0.794629 3.85978  0.108799  3.83928  0.103487  
1 1 1 54 8  5  o 4.32088  0.0722643 18.6892      0.624491 17.9332      0.892236 19.4152      0.874362 4.23016  0.105461  4.40201  0.0993139 
1 1 1 54 8  6  o 0.593533 0.242656  0.127709     0.45768  -0.250724    0.663872 0.470497     0.631832 0.607136 0.270153  0.787345 0.295902  
1 1 1 54 8  7  o 7.09641  0.0722108 50.4131      1.02487  51.3573      1.46214  49.5011      1.43697  7.15876  0.102122  7.02819  0.102229  
1 1 1 54 8  8  o 1.21588  0.19565   1.49036      0.475774 1.3532       0.690711 1.6142       0.656301 1.13239  0.300096  1.23707  0.272604  
1 1 1 54 8  9  o 2.00454  0.125075  4.03222      0.501438 4.35525      0.725216 3.73633      0.694088 2.07991  0.174338  1.92603  0.180187  
1 1 1 54 8  10 o 1.58241  0.155232  2.51832      0.491282 2.48622      0.684398 2.55245      0.705645 1.56795  0.218246  1.58838  0.222127  
1 1 1 54 8  11 f 2.52921  0.110315  6.4168       0.558017 6.751        0.78569  6.07665      0.792667 2.5907   0.151637  2.45696  0.16131   
1 1 1 54 8  12 o 4.37159  0.0833641 19.1476      0.728867 17.6662      1.02329  20.6731      1.03842  4.19456  0.121978  4.53862  0.114398  
1 1 1 54 8  13 o 2.06414  0.136201  4.28378      0.562276 3.71352      0.825734 4.77681      0.76778  1.91415  0.215692  2.17577  0.176439  
1 1 1 54 8  14 o 8.12443  0.091778  66.1791      1.49129  65.583       2.13723  66.7448      2.08186  8.07628  0.132315  8.14901  0.127737  
1 1 1 54 8  15 o 5.00835  0.0886837 25.1498      0.888318 25.1385      1.23693  25.1617      1.27655  5.00086  0.123671  5.00234  0.127595  
1 1 1 54 8  16 o 3.00068  0.116179  9.04793      0.697231 8.85431      0.987362 9.2405       0.98471  2.96073  0.166743  3.02532  0.162745  
1 1 1 54 8  17 o 1.70322  0.19028   2.93909      0.648176 1.96213      0.948146 3.79625      0.888115 1.34594  0.349272  1.92977  0.230109  
1 1 1 54 8  18 o 3.40518  0.103609  11.6446      0.705614 11.6511      0.984805 11.6377      1.01151  3.39924  0.144857  3.39649  0.148905  
1 1 1 54 8  19 o 2.82348  0.12136   8.02199      0.685317 7.49384      0.942057 8.61568      0.998798 2.72007  0.173168  2.91699  0.171204  
1 1 1 54 8  20 o 1.85157  0.19104   3.49109      0.707447 3.89985      0.988072 3.06113      1.01337  1.94368  0.254176  1.6854   0.312361  
1 1 1 54 8  21 o 1.6975   0.195661  2.94182      0.664271 2.8397       0.925601 3.05027      0.953879 1.62428  0.295879  1.7104   0.278847  
1 1 1 54 8  22 o 2.38261  0.149756  5.75198      0.713624 5.02804      0.97608  6.5833       1.04597  2.21075  0.220758  2.53413  0.206378  
1 1 1 54 8  23 o 1.65356  0.223305  2.82162      0.738496 2.0283       1.02981  3.66152      1.05961  1.34267  0.371281  1.86554  0.283996  
1 1 1 54 8  24 o 0.807868 0.314473  0.492053     0.731098 1.23415      0.965521 -0.505245    1.1193   1.08153  0.370444  0.746595 0.33985   
1 1 1 54 8  25 o 2.48823  0.170522  6.32866      0.848598 6.33128      1.12913  6.32526      1.28638  2.46734  0.228815  2.45137  0.262381  
1 1 1 54 8  26 o 2.0007   0.19957   4.14208      0.798558 3.96037      1.10373  4.34169      1.15681  1.9223   0.287085  2.01257  0.287395  
1 1 1 54 8  27 o 2.62029  0.162369  7.04454      0.850906 6.49112      1.1884   7.62673      1.21891  2.4788   0.239713  2.69481  0.226158  
1 1 1 54 8  28 o 2.38599  0.177378  5.90471      0.846444 7.45348      1.1736   4.22567      1.22197  2.65462  0.221049  1.94551  0.314047  
1 1 1 54 8  29 o 0.906701 0.332344  0.854148     0.788587 1.16522      1.05958  0.467916     1.18068  1.03032  0.383984  0.895098 0.379586  
1 1 1 54 8  30 o 1.79226  0.226275  3.46992      0.811087 3.57581      1.08831  3.33762      1.21645  1.73526  0.325596  1.62754  0.380202  
1 1 1 54 8  31 o 0.885172 0.338907  0.850742     0.840856 -0.00146807  1.18294  1.72108      1.19546  0.785248 0.354562  1.1347   0.409849  
1 1 1 54 8  32 o 1.05334  0.343319  1.4504       0.829301 0.706251     1.15363  2.24619      1.19298  0.876063 0.373486  1.23995  0.411773  
1 1 1 54 8  33 o 0.592236 0.278258  -0.448227    0.850444 0.267679     1.20134  -1.1674      1.20408  0.784314 0.355555  0.623718 0.303372  
1 1 1 54 8  34 o 1.00884  0.368941  1.61036      0.971343 2.2951       1.38587  0.949198     1.36182  1.09976  0.431925  0.863333 0.385459  
1 1 1 54 8  35 o 0.558712 0.27396   -1.00587     1.04047  -1.26057     1.35729  -0.64288     1.6203   0.61124  0.302029  0.696086 0.341499  
1 1 1 54 8  36 o 0.784042 0.356273  1.19936      1.21833  -0.67726     1.66656  3.35353      1.78555  0.644154 0.321065  0.971529 0.437306  
1 1 1 54 9  0  o 7.90278  0.109611  62.5629      1.73172  62.5629      1.73172  62.5629      1.73172  7.90623  0.0774564 ?        ?         
1 1 1 54 9  1  o 3.8014   0.0837166 14.4704      0.63648  14.2615      0.930115 14.6543      0.872849 3.77086  0.123329  3.82325  0.11415   
1 1 1 54 9  2  f 5.24962  0.0715336 27.5863      0.751049 28.5         1.08962  26.7593      1.03665  5.33307  0.102157  5.16784  0.100298  
1 1 1 54 9  3  o 4.6125   0.0695759 21.2957      0.641838 20.897       0.921462 21.6713      0.894528 4.56672  0.100889  4.65098  0.0961655 
1 1 1 54 9  4  o 3.54257  0.0769914 12.5648      0.545495 12.7989      0.79445  12.3559      0.750331 3.57313  0.11117   3.51108  0.106852  
1 1 1 54 9  5  o 4.75138  0.0706087 22.5987      0.670978 22.4302      0.966527 22.7554      0.932214 4.73103  0.102148  4.76561  0.0978063 
1 1 1 54 9  6  o 4.07778  0.0732683 16.647       0.597545 16.6423      0.8493   16.6517      0.840875 4.07489  0.104211  4.07614  0.103146  
1 1 1 54 9  7  o 1.57756  0.149855  2.50078      0.472809 2.80962      0.684478 2.21894      0.653876 1.66867  0.205097  1.48188  0.220623  
1 1 1 54 9  8  o 4.08125  0.0765656 16.6787      0.624967 17.8597      0.927233 15.6956      0.846014 4.22032  0.109853  3.95667  0.10691   
1 1 1 54 9  9  o 4.43898  0.0747357 19.7309      0.663501 19.8762      0.937519 19.5851      0.939146 4.45237  0.105283  4.41954  0.106249  
1 1 1 54 9  10 o 4.59129  0.0792686 21.1139      0.727891 20.5558      1.00511  21.7295      1.05553  4.52674  0.111019  4.65385  0.113404  
1 1 1 54 9  11 o 1.30232  0.201459  1.71505      0.524726 1.9771       0.743913 1.45558      0.74025  1.36721  0.281689  1.17025  0.310918  
1 1 1 54 9  12 o 3.8741   0.0889945 15.0432      0.689548 15.1564      1.01408  14.9459      0.940414 3.88359  0.13056   3.85773  0.121887  
1 1 1 54 9  13 o 3.10266  0.100553  9.65638      0.623962 9.45205      0.887551 9.85605      0.877367 3.06454  0.14481   3.12998  0.140155  
1 1 1 54 9  14 o 6.80994  0.0854946 46.4865      1.16443  47.881       1.6513   45.1074      1.64223  6.9032   0.119604  6.69948  0.122564  
1 1 1 54 9  15 o 3.32402  0.108727  11.0962      0.722823 10.5094      1.0393   11.6459      1.00597  3.22671  0.161046  3.39916  0.147973  
1 1 1 54 9  16 o 4.5429   0.0986593 20.7098      0.896399 20.7139      1.19568  20.7047      1.35452  4.53704  0.131769  4.53199  0.14944   
1 1 1 54 9  17 o 1.39864  0.210444  1.98968      0.58867  2.46123      0.833693 1.52081      0.831323 1.52249  0.284354  1.18998  0.335106  
1 1 1 54 9  18 o 1.44937  0.216107  2.14013      0.626438 3.12738      0.954716 1.39374      0.830126 1.74207  0.274018  1.14365  0.339032  
1 1 1 54 9  19 o 1.93514  0.17069   3.79786      0.660617 3.72219      0.923474 3.87718      0.945421 1.90239  0.242714  1.94143  0.243486  
1 1 1 54 9  20 o 1.64863  0.201094  2.77448      0.663059 3.50058      0.925875 2.01005      0.950005 1.84124  0.251427  1.35076  0.349191  
1 1 1 54 9  21 o 2.50063  0.142683  6.32629      0.713595 6.18281      0.982183 6.4867       1.03852  2.4584   0.199761  2.51619  0.206369  
1 1 1 54 9  22 o 1.63957  0.21971   2.7676       0.72046  2.21817      0.996724 3.36876      1.04259  1.40938  0.353829  1.78918  0.291359  
1 1 1 54 9  23 o 0.97682  0.314761  1.00804      0.698047 1.65863      0.952323 0.252622     1.02618  1.2205   0.363398  0.848196 0.356493  
1 1 1 54 9  24 o 1.33437  0.295377  1.96245      0.767343 2.12594      1.00254  1.73117      1.19235  1.36749  0.361152  1.2435   0.411665  
1 1 1 54 9  25 o 1.63959  0.241852  2.8112       0.793075 1.66684      1.08795  4.10888      1.15853  1.2172   0.393028  1.9612   0.295364  
1 1 1 54 9  26 o 2.45475  0.166803  6.17371      0.818917 5.77995      1.12621  6.61549      1.19292  2.34513  0.240117  2.51017  0.237616  
1 1 1 54 9  27 o 3.19384  0.142689  10.4232      0.911455 9.72044      1.24769  11.2273      1.33469  3.05021  0.204525  3.2788   0.203533  
1 1 1 54 9  28 o 0.818726 0.324989  0.539168     0.792361 1.19674      1.10973  -0.144746    1.13173  1.05042  0.392669  0.781023 0.349978  
1 1 1 54 9  29 o 2.62265  0.163502  7.13432      0.85762  7.29479      1.1948   6.96376      1.23176  2.60713  0.22914   2.5367   0.242788  
1 1 1 54 9  30 o 2.6393   0.168915  7.30065      0.891634 6.78967      1.14841  8.07616      1.41478  2.49607  0.230043  2.68837  0.26313   
1 1 1 54 9  31 o 0.623878 0.286578  -0.310055    0.821868 -1.03085     1.14684  0.450956     1.1784   0.645374 0.309547  0.853633 0.370939  
1 1 1 54 9  32 o 1.27587  0.331064  2.12851      0.851905 1.28425      1.14503  3.17526      1.27497  0.982563 0.390469  1.46312  0.41596   
1 1 1 54 9  33 o 0.664674 0.304468  -0.0906588   0.920524 0.510341     1.27823  -0.738162    1.32676  0.82765  0.371379  0.69054  0.33163   
1 1 1 54 9  34 o 0.678849 0.313561  0.0861658    1.00055  -2.36783     1.39611  2.67755      1.43466  0.563458 0.283028  1.13603  0.440872  
1 1 1 54 9  35 o 0.593582 0.288072  -0.720164    1.07518  -0.828249    1.32995  -0.516255    1.82672  0.638381 0.312191  0.730325 0.359676  
1 1 1 54 10 0  o 5.68124  0.0994019 32.3386      1.12867  32.3386      1.12867  32.3386      1.12867  5.68398  0.0702295 ?        ?         
1 1 1 54 10 1  o 6.305    0.0712374 39.7942      0.898303 40.0332      1.29061  39.5696      1.2511   6.32048  0.102097  6.28411  0.0995446 
1 1 1 54 10 2  o 5.56623  0.0711332 31.0151      0.791887 31.6432      1.13769  30.4249      1.10292  5.61934  0.10123   5.51024  0.100079  
1 1 1 54 10 3  o 7.02261  0.0716944 49.3696      1.00696  50.4472      1.45831  48.3877      1.39212  7.09489  0.102771  6.94894  0.100168  
1 1 1 54 10 4  o 4.11156  0.0753571 16.9251      0.61967  17.0317      0.899079 16.8287      0.855254 4.12183  0.109063  4.09762  0.10436   
1 1 1 54 10 5  o 3.15908  0.0839767 9.99495      0.530578 10.2319      0.760576 9.77032      0.740527 3.1939   0.119067  3.12106  0.118634  
1 1 1 54 10 6  o 1.56985  0.148274  2.47651      0.465536 1.62092      0.664043 3.30346      0.652835 1.23891  0.275227  1.81103  0.180238  
1 1 1 54 10 7  o 7.31545  0.0770324 53.5895      1.12705  52.9777      1.66003  54.1126      1.53508  7.26761  0.114207  7.34685  0.104472  
1 1 1 54 10 8  o 4.3291   0.0773932 18.7685      0.670086 19.3134      0.962172 18.2553      0.933755 4.38828  0.10963   4.2664   0.109431  
1 1 1 54 10 9  f 2.69196  0.101757  7.26615      0.547851 6.84774      0.755067 7.73128      0.796117 2.60977  0.144662  2.77315  0.14354   
1 1 1 54 10 10 o 6.47779  0.0834786 42.0428      1.08151  42.5033      1.49533  41.5378      1.5661   6.50766  0.11489   6.4319   0.121745  
1 1 1 54 10 11 o 6.38784  0.0789573 40.8783      1.00873  40.9236      1.46115  40.837       1.39432  6.38512  0.114418  6.37942  0.109283  
1 1 1 54 10 12 o 3.14681  0.0973549 9.9311       0.612716 10.8158      0.88822  9.12786      0.846319 3.27957  0.135417  3.01216  0.140484  
1 1 1 54 10 13 o 3.16909  0.0972515 10.0738      0.616397 9.10599      0.870516 11.0471      0.872922 3.00729  0.144734  3.31429  0.131691  
1 1 1 54 10 14 o 3.46322  0.100351  12.0365      0.695075 11.4703      1.04413  12.487       0.931461 3.37247  0.154801  3.52278  0.132205  
1 1 1 54 10 15 o 1.52593  0.206294  2.36403      0.629583 2.17618      0.919396 2.52989      0.86392  1.42068  0.329663  1.54392  0.29045   
1 1 1 54 10 16 o 3.31513  0.102002  11.033       0.676301 12.5352      0.95924  9.54819      0.953651 3.52823  0.135938  3.07611  0.155009  
1 1 1 54 10 17 o 2.5428   0.127498  6.50774      0.648405 7.04584      0.971656 6.07573      0.87061  2.63651  0.184269  2.44944  0.177716  
1 1 1 54 10 18 o 1.16617  0.279641  1.46135      0.64477  0.429269     0.954077 2.32897      0.874761 0.876622 0.353342  1.47007  0.307478  
1 1 1 54 10 19 o 3.14065  0.118102  9.933        0.741834 9.12746      1.03319  10.7902      1.06579  2.99888  0.172263  3.26304  0.163313  
1 1 1 54 10 20 o 1.3903   0.231664  1.99026      0.644163 1.40515      0.896786 2.61394      0.925878 1.14168  0.355263  1.55238  0.309177  
1 1 1 54 10 21 o 0.652128 0.28042   0.000323973  0.660214 0.573284     0.908139 -0.641964    0.961514 0.890325 0.349651  0.669353 0.308492  
1 1 1 54 10 22 o 0.972606 0.317635  0.988275     0.70986  1.37261      1.01028  0.613513     0.997626 1.1345   0.378933  0.922886 0.365189  
1 1 1 54 10 23 o 2.10937  0.183098  4.5576       0.772442 4.43291      1.00386  4.7386       1.20944  2.06173  0.24345   2.11523  0.285888  
1 1 1 54 10 24 o 0.880191 0.32509   0.70875      0.756067 1.05114      1.05022  0.340375     1.08933  1.03939  0.383285  0.880992 0.368638  
1 1 1 54 10 25 o 4.36394  0.114064  19.256       0.995537 19.613       1.34092  18.8175      1.48605  4.38515  0.152893  4.2833   0.17347   
1 1 1 54 10 26 o 0.696647 0.301892  0.0185823    0.776509 1.35528      1.05423  -1.56667     1.14806  1.10974  0.386431  0.623993 0.301671  
1 1 1 54 10 27 o 0.803656 0.322612  0.47223      0.790764 0.969925     1.08085  -0.100988    1.15996  0.994354 0.38333   0.800597 0.356643  
1 1 1 54 10 28 o 1.57028  0.252929  2.66616      0.794338 2.13197      1.09837  3.25189      1.15014  1.31426  0.390057  1.64993  0.358571  
1 1 1 54 10 29 o 2.23146  0.187776  5.24343      0.838027 4.09097      1.16935  6.46036      1.20161  1.89184  0.30905   2.43307  0.246933  
1 1 1 54 10 30 o 1.16942  0.339929  1.71579      0.842296 0.608427     1.11398  3.19395      1.28705  0.876175 0.36999   1.53549  0.410892  
1 1 1 54 10 31 o 0.682931 0.299776  0.10284      0.785537 -0.602889    1.0847   0.881187     1.13914  0.668475 0.314129  0.921331 0.380684  
1 1 1 54 10 32 o 0.852581 0.339396  0.853201     0.866443 0.83648      1.22698  0.869834     1.2237   0.885685 0.381588  0.891263 0.382459  
1 1 1 54 10 33 o 0.860407 0.352992  0.917337     0.97191  1.56411      1.26515  -0.0140018   1.51816  1.00278  0.405773  0.790766 0.371606  
1 1 1 54 10 34 o 0.525652 0.261267  -1.55151     1.06593  -1.30585     1.36435  -1.93639     1.7077   0.613301 0.302991  0.637885 0.31893   
1 1 1 54 10 35 o 1.32541  0.400986  3.2008       1.15332  3.72724      1.49571  2.42876      1.8113   1.26547  0.458304  0.95722  0.434816  
1 1 1 54 11 0  o 0.488067 0.327552  -0.259711    0.868657 -0.259711    0.868657 -0.259711    0.868657 0.396976 0.269331  ?        ?         
1 1 1 54 11 1  o 9.31411  0.0809661 86.8747      1.50825  86.7934      2.16685  86.9512      2.10068  9.30286  0.116461  9.31215  0.112792  
1 1 1 54 11 2  o 5.36316  0.0715197 28.7954      0.767144 28.464       1.06123  29.1582      1.11024  5.32948  0.0995625 5.39369  0.10292   
1 1 1 54 11 3  o 7.45395  0.0719243 55.6246      1.07224  55.0362      1.48696  56.262       1.54761  7.41048  0.100328  7.49206  0.103283  
1 1 1 54 11 4  o 3.89419  0.0753725 15.1841      0.58703  15.6067      0.856838 14.8102      0.805876 3.94533  0.108589  3.84368  0.104831  
1 1 1 54 11 5  o 1.21988  0.188681  1.50036      0.460335 0.801486     0.659985 2.16248      0.642396 0.912232 0.306273  1.46242  0.219635  
1 1 1 54 11 6  f 4.125    0.0794708 17.0414      0.655635 16.2736      0.953468 17.7301      0.903004 4.02729  0.118376  4.20491  0.107375  
1 1 1 54 11 7  o 7.1686   0.0758396 51.4632      1.08733  50.5427      1.53134  52.3991      1.54417  7.099    0.107856  7.2284   0.106813  
1 1 1 54 11 8  o 5.53033  0.0742455 30.6294      0.821204 30.5198      1.17031  30.7357      1.1526   5.51628  0.106078  5.53607  0.1041    
1 1 1 54 11 9  o 3.65459  0.0846027 13.3827      0.618376 14.1933      0.870709 12.5579      0.878372 3.76041  0.115773  3.53616  0.124199  
1 1 1 54 11 10 o 6.55857  0.0841554 43.1036      1.10388  40.2715      1.55963  45.9467      1.56262  6.33209  0.123153  6.76535  0.115487  
1 1 1 54 11 11 o 2.29693  0.116699  5.29783      0.536097 5.46288      0.764222 5.13793      0.752232 2.32771  0.164158  2.25714  0.166634  
1 1 1 54 11 12 o 3.16497  0.0972753 10.0476      0.615747 10.7753      0.890278 9.38021      0.852543 3.2727   0.136016  3.05301  0.139623  
1 1 1 54 11 13 o 3.04932  0.106789  9.33528      0.651266 9.21109      0.953386 9.44393      0.891757 3.02181  0.157751  3.06172  0.14563   
1 1 1 54 11 14 o 0.662804 0.27323   0.151819     0.585082 0.345108     0.879385 -0.00170117  0.783715 0.834671 0.338072  0.714747 0.306372  
1 1 1 54 11 15 o 1.79987  0.169452  3.27362      0.60998  3.29445      0.873607 3.25379      0.852079 1.79553  0.243272  1.78514  0.238659  
1 1 1 54 11 16 o 3.23222  0.109003  10.4964      0.704643 11.526       1.04491  9.63776      0.954274 3.379    0.154619  3.08989  0.154419  
1 1 1 54 11 17 o 1.30965  0.247223  1.81229      0.623901 1.78526      0.918321 1.83547      0.850262 1.28204  0.348895  1.3011   0.326894  
1 1 1 54 11 18 o 2.14413  0.151766  4.65007      0.650812 4.17181      0.919461 5.13025      0.921316 2.01673  0.227958  2.2417   0.205495  
1 1 1 54 11 19 o 3.28868  0.113926  10.8891      0.74933  10.559       1.06861  11.2084      1.05103  3.22626  0.165612  3.32612  0.157996  
1 1 1 54 11 20 f 1.36701  0.252655  1.99309      0.664779 1.72328      0.916653 2.29243      0.965531 1.24901  0.351934  1.43986  0.340262  
1 1 1 54 11 21 o 1.18119  0.296972  1.52596      0.701365 1.12852      0.97597  1.95042      1.00859  1.05856  0.371505  1.32021  0.368247  
1 1 1 54 11 22 o 3.57409  0.117353  12.8931      0.838862 12.8734      1.0987   12.9206      1.29894  3.55939  0.154339  3.5546   0.182712  
1 1 1 54 11 23 o 2.17084  0.176983  4.8233       0.768405 4.57715      1.0063   5.16753      1.19004  2.09464  0.240209  2.21412  0.268739  
1 1 1 54 11 24 o 0.587079 0.270185  -0.478104    0.734343 -1.2353      1.00662  0.38331      1.07366  0.60762  0.291093  0.884802 0.367825  
1 1 1 54 11 25 f 2.39255  0.172675  5.87453      0.826267 7.65417      1.13109  3.83819      1.20992  2.71523  0.208286  1.84548  0.340602  
1 1 1 54 11 26 o 1.40684  0.288674  2.21343      0.784312 2.4139       1.07551  1.98572      1.14624  1.42738  0.372732  1.28793  0.401821  
1 1 1 54 11 27 o 2.48246  0.164662  6.36611      0.817533 5.22745      1.10105  7.76519      1.22049  2.20458  0.249719  2.70442  0.225646  
1 1 1 54 11 28 o 2.56351  0.164779  6.81104      0.844827 7.53371      1.17272  6.03136      1.21811  2.65899  0.22052   2.35187  0.258966  
1 1 1 54 11 29 o 0.804614 0.324291  0.535698     0.80355  1.40572      1.1174   -0.396071    1.15638  1.07364  0.395409  0.733988 0.338292  
1 1 1 54 11 30 o 0.799934 0.322549  0.56934      0.795444 -0.218187    1.07473  1.52335      1.18289  0.723827 0.330486  1.08375  0.405351  
1 1 1 54 11 31 o 0.782675 0.321109  0.556317     0.804285 -0.841667    1.10958  2.10404      1.16749  0.641815 0.307027  1.20142  0.407351  
1 1 1 54 11 32 o 1.06932  0.360157  1.63174      0.912643 1.56311      1.24162  1.7124       1.34603  1.01955  0.406154  1.04552  0.420407  
1 1 1 54 11 33 o 0.701609 0.316843  0.238272     0.944985 0.742782     1.26475  -0.39932     1.42181  0.825938 0.370043  0.71528  0.343461  
1 1 1 54 11 34 o 0.775913 0.343248  0.751167     1.05235  1.27287      1.35916  -0.0297237   1.66284  0.86459  0.385576  0.743815 0.360196  
1 1 1 54 11 35 f 0.663564 0.317332  0.165937     1.18297  1.66924      1.67146  -1.34281     1.67448  0.818653 0.386224  0.61592  0.309631  
1 1 1 54 12 0  o 8.50407  0.118194  72.4775      2.00938  72.4775      2.00938  72.4775      2.00938  8.50873  0.0835115 ?        ?         
1 1 1 54 12 1  o 7.828    0.0752766 61.3579      1.17853  61.881       1.67229  60.8417      1.66115  7.85619  0.106431  7.7899   0.106622  
1 1 1 54 12 2  o 7.93344  0.0744269 63.0209      1.18092  63.6476      1.65289  62.3674      1.68781  7.96797  0.103721  7.88679  0.107002  
1 1 1 54 12 3  o 6.35897  0.0745951 40.4899      0.948697 40.8422      1.31298  40.1051      1.37231  6.38279  0.102853  6.32404  0.108499  
1 1 1 54 12 4  f 7.56891  0.0730947 57.3628      1.10649  57.3056      1.5762   57.4183      1.55368  7.56008  0.104245  7.56781  0.102651  
1 1 1 54 12 5  o 3.32319  0.0859576 11.0641      0.571306 11.5222      0.840809 10.6711      0.778663 3.38792  0.124089  3.26086  0.119395  
1 1 1 54 12 6  o 3.16516  0.0879594 10.0385      0.556812 10.3466      0.808572 9.76065      0.767903 3.21001  0.125946  3.11806  0.123138  
1 1 1 54 12 7  o 4.2375   0.0790863 17.9873      0.670257 17.8583      0.958392 18.1107      0.937718 4.21851  0.113594  4.24863  0.110355  
1 1 1 54 12 8  o 6.30213  0.0813559 39.7914      1.02543  38.5579      1.4476   41.0338      1.45277  6.19761  0.116787  6.39416  0.113601  
1 1 1 54 12 9  o 0.955394 0.254114  0.963016     0.49413  0.898823     0.674756 1.03725      0.725626 0.949278 0.309681  1.00915  0.320492  
1 1 1 54 12 10 o 4.98828  0.0772219 24.9286      0.770409 24.3056      1.07995  25.5742      1.09936  4.92095  0.109729  5.04788  0.108893  
1 1 1 54 12 11 o 5.99516  0.0832263 36.0222      0.99791  35.2543      1.40661  36.8004      1.41595  5.92389  0.118724  6.0528   0.116966  
1 1 1 54 12 12 o 3.5311   0.0926757 12.5058      0.654495 12.597       0.965324 12.4282      0.8904   3.53774  0.136432  3.51552  0.126638  
1 1 1 54 12 13 o 0.644746 0.269347  0.0975813    0.580098 -1.13595     0.892647 0.999374     0.763236 0.579277 0.276696  0.998102 0.32936   
1 1 1 54 12 14 o 4.12035  0.0924814 17.0297      0.762112 15.7783      1.12385  18.0951      1.03696  3.95767  0.141984  4.24229  0.122217  
1 1 1 54 12 15 o 1.48503  0.206389  2.2422       0.612988 1.39769      0.89907  2.97579      0.837945 1.15037  0.355263  1.70495  0.245739  
1 1 1 54 12 16 o 4.41777  0.09268   19.5842      0.818878 21.0563      1.20209  18.3096      1.11855  4.57267  0.131443  4.26407  0.13116   
1 1 1 54 12 17 f 7.33704  0.0944812 54.0619      1.38642  57.0943      1.96209  51.0379      1.95932  7.5257   0.130359  7.11204  0.137747  
1 1 1 54 12 18 o 2.64328  0.131352  7.04819      0.694402 6.84944      0.983402 7.24583      0.98067  2.59356  0.189586  2.66901  0.183714  
1 1 1 54 12 19 o 3.33965  0.110851  11.231       0.740405 10.6282      1.03325  11.8672      1.0615   3.23668  0.159616  3.42151  0.155122  
1 1 1 54 12 20 o 1.04882  0.297227  1.19141      0.651998 0.621069     0.939    1.72239      0.906013 0.911099 0.356036  1.2475   0.349361  
1 1 1 54 12 21 o 1.58452  0.233139  2.59879      0.738829 1.91213      0.97517  3.52408      1.13201  1.30626  0.361333  1.79252  0.327962  
1 1 1 54 12 22 o 1.42865  0.267659  2.20708      0.736513 2.81809      0.963385 1.34767      1.14256  1.60039  0.31212   1.1353   0.401607  
1 1 1 54 12 23 o 4.70707  0.101731  22.331       0.957708 22.7458      1.30449  21.8459      1.41052  4.73516  0.137745  4.63325  0.152218  
1 1 1 54 12 24 o 0.895827 0.324698  0.773315     0.750888 0.297238     1.04409  1.28336      1.08069  0.853657 0.359226  1.10043  0.390451  
1 1 1 54 12 25 o 2.58895  0.158234  6.85883      0.819319 7.4554       1.11434  6.15683      1.2088   2.67704  0.208128  2.41184  0.250598  
1 1 1 54 12 26 o 0.826183 0.318548  0.594441     0.746454 1.04503      1.02518  0.0860044    1.089    1.00694  0.377216  0.811317 0.354566  
1 1 1 54 12 27 o 1.35434  0.29774   2.10024      0.784619 1.6376       1.05503  2.67278      1.17367  1.16744  0.387234  1.47122  0.39178   
1 1 1 54 12 28 o 0.819622 0.323154  0.58968      0.778568 1.31601      1.07058  -0.225696    1.13431  1.06117  0.387402  0.758856 0.344545  
1 1 1 54 12 29 o 1.10322  0.334194  1.50357      0.800757 0.733719     1.06477  2.50585      1.21491  0.897206 0.369011  1.35925  0.411621  
1 1 1 54 12 30 o 0.544868 0.260104  -0.752488    0.785778 -0.341478    1.10021  -1.18042     1.12264  0.710791 0.328503  0.621199 0.299962  
1 1 1 54 12 31 o 0.691555 0.307978  0.101316     0.864434 -0.620504    1.13553  1.09615      1.33309  0.666236 0.316011  0.948709 0.40288   
1 1 1 54 12 32 o 0.889788 0.348583  1.03077      0.901265 0.616198     1.21863  1.5313       1.33902  0.835126 0.369417  1.00261  0.413333  
1 1 1 54 12 33 o 0.70855  0.321065  0.316278     0.978501 -0.316763    1.26795  1.24841      1.5386   0.682471 0.326891  0.884637 0.401554  
1 1 1 54 12 34 o 0.683723 0.317367  0.142685     1.04133  -0.273769    1.45989  0.574046     1.48578  0.70342  0.340089  0.785343 0.368721  
1 1 1 54 13 0  o 1.06495  0.38379   1.5203       0.746752 1.5203       0.746752 1.5203       0.746752 1.14899  0.264309  ?        ?         
1 1 1 54 13 1  o 2.61295  0.103857  6.84604      0.542745 7.51848      0.776712 6.20438      0.758718 2.73509  0.14199   2.48361  0.152745  
1 1 1 54 13 2  o 2.70556  0.0973642 7.33769      0.526849 7.1967       0.734536 7.48708      0.756085 2.67629  0.13723   2.72963  0.138496  
1 1 1 54 13 3  o 7.65382  0.0794004 58.6766      1.21543  56.8272      1.70213  60.6006      1.73614  7.526    0.113083  7.77216  0.11169   
1 1 1 54 13 4  o 5.13182  0.0729057 26.3728      0.748278 25.581       1.06069  27.1572      1.05578  5.05042  0.10501   5.20419  0.101435  
1 1 1 54 13 5  o 2.77703  0.0929049 7.73018      0.515999 7.32186      0.708586 8.19115      0.752893 2.69957  0.131241  2.85527  0.131843  
1 1 1 54 13 6  o 6.64843  0.0831533 44.2876      1.10568  43.9251      1.53523  44.6783      1.59374  6.61518  0.116038  6.67091  0.119454  
1 1 1 54 13 7  o 2.50321  0.107745  6.28715      0.539419 6.46742      0.732752 6.07389      0.796997 2.53551  0.144498  2.45524  0.162305  
1 1 1 54 13 8  o 5.15056  0.0797037 26.5788      0.821038 26.5159      1.11227  26.654       1.21703  5.1404   0.108189  5.15205  0.118111  
1 1 1 54 13 9  o 2.78716  0.0986778 7.79181      0.550062 7.89828      0.766533 7.67878      0.789799 2.8022   0.136773  2.76225  0.142963  
1 1 1 54 13 10 o 2.79556  0.0987191 7.83999      0.551952 7.76541      0.770404 7.91866      0.791165 2.77784  0.13867   2.80481  0.141037  
1 1 1 54 13 11 o 3.35614  0.0948966 11.299       0.636973 11.2045      0.932572 11.3817      0.872098 3.33589  0.139779  3.36377  0.129631  
1 1 1 54 13 12 o 4.38341  0.0912747 19.2719      0.800188 18.1816      1.18719  20.1796      1.08322  4.24899  0.139702  4.48032  0.120887  
1 1 1 54 13 13 o 4.27333  0.0983443 18.3246      0.840515 16.5785      1.29365  19.6002      1.10569  4.05301  0.159591  4.41469  0.125229  
1 1 1 54 13 14 o 0.460238 0.219752  -0.724592    0.561663 -0.672549    0.819427 -0.77071     0.771371 0.606469 0.281515  0.567705 0.266383  
1 1 1 54 13 15 o 1.69249  0.171809  2.89842      0.58157  4.24937      0.865558 1.7866       0.785226 2.04296  0.211839  1.28725  0.308552  
1 1 1 54 13 16 o 1.10801  0.273113  1.31809      0.602148 1.5477       0.891161 1.12519      0.81682  1.19742  0.350161  1.04507  0.340726  
1 1 1 54 13 17 o 4.1077   0.0982126 16.9552      0.806856 16.2703      1.08982  17.786       1.20029  4.01511  0.135715  4.19584  0.143034  
1 1 1 54 13 18 o 3.42002  0.108889  11.772       0.744805 11.2575      1.05155  12.29        1.05508  3.33265  0.157765  3.48397  0.15142   
1 1 1 54 13 19 o 1.58828  0.210671  2.58807      0.669209 2.60826      0.963558 2.56926      0.930136 1.54316  0.322662  1.53475  0.313861  
1 1 1 54 13 20 o 0.990527 0.321424  1.02898      0.726988 1.54868      0.990773 0.422797     1.07003  1.18882  0.374116  0.900891 0.370122  
1 1 1 54 13 21 o 0.573832 0.264894  -0.50464     0.712674 -1.04832     0.931689 0.262107     1.10644  0.599203 0.285176  0.875002 0.369078  
1 1 1 54 13 22 o 1.33249  0.274697  1.93594      0.707043 2.3286       0.959856 1.47014      1.04544  1.43933  0.338699  1.15856  0.385469  
1 1 1 54 13 23 o 1.21329  0.311971  1.64069      0.761127 1.16878      1.04344  2.17733      1.11269  1.06948  0.383239  1.37398  0.387938  
1 1 1 54 13 24 o 3.1046   0.136741  9.79712      0.849052 11.4249      1.13671  7.74283      1.27698  3.33775  0.170281  2.71736  0.234966  
1 1 1 54 13 25 f 2.51589  0.158789  6.4947       0.79899  6.60284      1.08282  6.36544      1.18381  2.51025  0.215679  2.45053  0.241542  
1 1 1 54 13 26 o 1.89404  0.204629  3.76843      0.775151 4.00825      1.05965  3.49238      1.13688  1.91608  0.276515  1.73217  0.340293  
1 1 1 54 13 27 o 1.1403   0.317801  1.52396      0.751494 1.40176      1.02156  1.66808      1.10941  1.0917   0.380373  1.17     0.397088  
1 1 1 54 13 28 o 0.922504 0.331483  0.946632     0.781109 1.39416      1.05688  0.407923     1.15955  1.07252  0.385564  0.862976 0.37137   
1 1 1 54 13 29 o 1.14287  0.331614  1.6293       0.802297 1.47537      1.07745  1.82087      1.20198  1.07343  0.388959  1.16081  0.411788  
1 1 1 54 13 30 o 0.682633 0.303478  0.0372225    0.836087 -1.53334     1.16642  1.69691      1.19906  0.59819  0.292497  1.10243  0.40895   
1 1 1 54 13 31 o 1.07869  0.359354  1.64623      0.90858  1.44671      1.15983  1.96318      1.4618   1.00134  0.39454   1.09381  0.438821  
1 1 1 54 13 32 o 0.946987 0.349784  1.27147      0.875325 1.83672      1.23749  0.705481     1.2383   1.05638  0.409561  0.839939 0.371859  
1 1 1 54 13 33 o 0.932247 0.374552  1.51484      1.06718  0.983675     1.44412  2.15391      1.58401  0.832386 0.381317  0.985125 0.429099  
1 1 1 54 13 34 o 0.718207 0.332497  0.424372     1.13337  -0.351025    1.65089  1.1156       1.55872  0.702274 0.34459   0.819473 0.383418  
1 1 1 54 14 0  o 0.392573 0.272922  -0.53406     0.717605 -0.53406     0.717605 -0.53406     0.717605 0.306537 0.21713   ?        ?         
1 1 1 54 14 1  o 5.2059   0.0729376 27.1411      0.759411 27.5049      1.07569  26.7795      1.07226  5.23698  0.102701  5.16731  0.103754  
1 1 1 54 14 2  o 4.2711   0.0755437 18.2712      0.64531  17.2102      0.913508 19.328       0.911707 4.1416   0.110284  4.38987  0.103842  
1 1 1 54 14 3  o 6.01185  0.0732194 36.1966      0.880367 35.4318      1.24869  36.9526      1.2414   5.94336  0.105049  6.07005  0.102256  
1 1 1 54 14 4  o 0.926005 0.244384  0.903492     0.459258 1.03296      0.641517 0.767384     0.657766 0.997512 0.298515  0.89705  0.305758  
1 1 1 54 14 5  o 2.09468  0.116258  4.40488      0.487045 4.66432      0.663499 4.10174      0.717203 2.15235  0.154134  2.0161   0.177868  
1 1 1 54 14 6  o 7.63241  0.0866269 58.3837      1.32234  59.2122      1.85379  57.5254      1.8868   7.67843  0.120714  7.56719  0.12467   
1 1 1 54 14 7  o 0.532139 0.231051  -0.0643171   0.456508 -0.00355274  0.586659 -0.157588    0.72683  0.621784 0.265749  0.656412 0.288244  
1 1 1 54 14 8  o 1.9444   0.122631  3.7987       0.476885 3.95382      0.627734 3.58699      0.733352 1.98048  0.158481  1.88254  0.194777  
1 1 1 54 14 9  o 3.15332  0.0928389 9.97186      0.585501 9.43275      0.825807 10.5168      0.830259 3.06194  0.13485   3.23402  0.128363  
1 1 1 54 14 10 o 1.76879  0.154271  3.15489      0.545747 3.79489      0.806317 2.61384      0.741373 1.93317  0.208547  1.60157  0.231452  
1 1 1 54 14 11 o 1.26399  0.225927  1.67436      0.550535 1.85861      0.836332 1.53347      0.731337 1.31358  0.320693  1.19561  0.304849  
1 1 1 54 14 12 o 4.09262  0.0897488 16.7979      0.734616 17.9989      1.09473  15.814       0.99083  4.2297   0.12941   3.96549  0.124932  
1 1 1 54 14 13 o 1.13968  0.255665  1.38223      0.568336 1.46718      0.835325 1.309        0.775503 1.17103  0.337914  1.11064  0.327247  
1 1 1 54 14 14 o 2.80189  0.108767  7.8877       0.609504 6.61134      0.868607 9.12577      0.855481 2.55646  0.169885  3.00868  0.142169  
1 1 1 54 14 15 o 1.58652  0.186425  2.55523      0.591534 2.48168      0.846204 2.62552      0.827229 1.52516  0.28793   1.59702  0.258991  
1 1 1 54 14 16 o 0.939709 0.292852  0.922111     0.609071 1.37761      0.884544 0.511434     0.839901 1.13533  0.352738  0.857903 0.336422  
1 1 1 54 14 17 o 2.0906   0.157129  4.42742      0.656987 4.19977      0.952737 4.63382      0.907176 2.01989  0.235839  2.12725  0.213227  
1 1 1 54 14 18 o 2.52359  0.135792  6.43615      0.685367 6.40613      0.996084 6.46313      0.944483 2.50256  0.199013  2.5168   0.187635  
1 1 1 54 14 19 o 1.6818   0.204148  2.90004      0.686672 3.56521      0.934518 2.11947      1.01235  1.85251  0.252231  1.37628  0.36266   
1 1 1 54 14 20 o 2.8338   0.13842   8.13162      0.78451  8.2379       1.09033  8.01754      1.12964  2.83577  0.192246  2.79407  0.202149  
1 1 1 54 14 21 o 3.37088  0.11821   11.4809      0.796945 11.5404      1.1458   11.4251      1.1092   3.36116  0.170447  3.34624  0.165738  
1 1 1 54 14 22 o 0.783563 0.306872  0.449532     0.698367 1.09714      0.937215 -0.358972    1.04719  1.03361  0.363925  0.740029 0.333901  
1 1 1 54 14 23 o 2.60834  0.153417  6.94047      0.800329 6.33927      1.10329  7.60819      1.16272  2.4657   0.223727  2.70553  0.214879  
1 1 1 54 14 24 o 0.52841  0.251857  -0.82639     0.729448 -0.360714    0.982642 -1.39799     1.08868  0.708428 0.321339  0.618592 0.297885  
1 1 1 54 14 25 o 2.19411  0.17624   4.98271      0.773381 4.61858      1.04876  5.41675      1.14502  2.0753   0.252677  2.24615  0.254884  
1 1 1 54 14 26 o 1.15614  0.314412  1.55373      0.746092 1.99072      1.0172   1.04489      1.09765  1.28059  0.373984  1.00848  0.386896  
1 1 1 54 14 27 o 0.540085 0.25677   -0.757653    0.753573 0.101076     1.01696  -1.80334     1.12222  0.778286 0.341363  0.580994 0.284769  
1 1 1 54 14 28 o 0.498516 0.242622  -1.13376     0.772177 -0.22013     1.01273  -2.40253     1.19344  0.710868 0.323502  0.554232 0.275607  
1 1 1 54 14 29 o 0.902396 0.333862  0.932451     0.798107 1.44045      1.10256  0.373265     1.15678  1.05883  0.392274  0.836234 0.365444  
1 1 1 54 14 30 o 0.665707 0.302357  -0.084898    0.875193 -0.0175953   1.18907  -0.164461    1.29285  0.759159 0.347035  0.762996 0.353956  
1 1 1 54 14 31 o 0.838811 0.340138  0.821022     0.891583 0.827377     1.15429  0.811621     1.40378  0.867155 0.371762  0.888464 0.394305  
1 1 1 54 14 32 o 0.814075 0.341439  0.869591     0.93809  1.81703      1.2556   -0.327424    1.41133  1.00506  0.405251  0.712521 0.34215   
1 1 1 54 14 33 o 1.04862  0.395923  2.07066      1.13442  1.99271      1.79639  2.12237      1.46306  0.940339 0.428712  0.992125 0.421711  
1 1 1 54 14 34 o 0.656502 0.315779  0.111692     1.21476  0.404268     1.88165  -0.0973858   1.59064  0.717617 0.35484   0.67135  0.33063   
1 1 1 54 15 0  o 3.02598  0.135229  9.23541      0.814677 9.23541      0.814677 9.23541      0.814677 3.03254  0.0951929 ?        ?         
1 1 1 54 15 1  o 4.50404  0.0775622 20.3219      0.698687 20.1003      0.969832 20.5611      1.00742  4.47574  0.108343  4.52634  0.111285  
1 1 1 54 15 2  o 3.10355  0.0883245 9.65405      0.548239 10.4081      0.782347 8.92645      0.768492 3.21925  0.121511  2.98051  0.128919  
1 1 1 54 15 3  o 1.64168  0.147236  2.71242      0.483429 2.72382      0.648256 2.69814      0.725608 1.641    0.197519  1.63075  0.222476  
1 1 1 54 15 4  o 2.89683  0.0917309 8.41286      0.531457 8.40828      0.723501 8.41824      0.783236 2.89292  0.125047  2.89347  0.135345  
1 1 1 54 15 5  o 3.46263  0.0819824 12.0146      0.56775  12.414       0.779557 11.5634      0.828517 3.51671  0.110836  3.39272  0.122102  
1 1 1 54 15 6  o 5.11131  0.075529  26.1724      0.772104 25.9328      1.06327  26.4398      1.12302  5.0836   0.104578  5.13221  0.109409  
1 1 1 54 15 7  o 2.73694  0.0932314 7.51202      0.510338 7.07516      0.689781 8.04035      0.758565 2.65253  0.130023  2.82717  0.134156  
1 1 1 54 15 8  f 0.833539 0.252801  0.715517     0.458026 0.923532     0.621759 0.468684     0.677293 0.947939 0.295981  0.797541 0.30451   
1 1 1 54 15 9  o 6.83345  0.0863647 46.8216      1.18034  40.3894      1.8712   51.0724      1.52115  6.33027  0.147797  7.13182  0.106645  
1 1 1 54 15 10 o 4.8429   0.0815993 23.5098      0.790355 24.1507      1.22069  23.0472      1.03708  4.9006   0.124545  4.7906   0.108241  
1 1 1 54 15 11 o 4.22658  0.0862674 17.9119      0.729232 17.7003      1.05067  18.1087      1.01294  4.1952   0.125223  4.24443  0.119326  
1 1 1 54 15 12 o 4.51533  0.0881812 20.4493      0.796335 21.1145      1.16157  19.8594      1.09385  4.58085  0.126785  4.4434   0.123088  
1 1 1 54 15 13 o 2.03216  0.137979  4.16105      0.560788 4.90889      0.868089 3.62544      0.734656 2.19846  0.197431  1.88977  0.194377  
1 1 1 54 15 14 o 3.71361  0.0912403 13.84        0.677662 13.5629      0.967498 14.1069      0.949473 3.66908  0.131845  3.74297  0.126834  
1 1 1 54 15 15 o 1.67171  0.176724  2.83808      0.590862 2.6184       0.839352 3.05389      0.831907 1.591    0.263781  1.72288  0.241429  
1 1 1 54 15 16 o 2.95469  0.115511  8.79007      0.682595 7.39266      0.976023 10.1279      0.954991 2.69628  0.180994  3.16392  0.150919  
1 1 1 54 15 17 o 0.495068 0.236794  -0.851422    0.659424 -0.673484    0.928058 -1.03286     0.937142 0.651069 0.30121   0.606655 0.287434  
1 1 1 54 15 18 o 2.86242  0.130409  8.27647      0.746569 9.15302      1.03801  7.33711      1.07456  2.9987   0.173076  2.6767   0.200724  
1 1 1 54 15 19 o 1.02634  0.316329  1.13152      0.713287 1.32433      0.980432 0.914711     1.03965  1.11684  0.373293  1.00985  0.379561  
1 1 1 54 15 20 o 1.01797  0.305362  1.12429      0.67075  1.23532      0.940627 1.00942      0.956744 1.08055  0.365637  1.01538  0.366663  
1 1 1 54 15 21 o 1.31681  0.27127   1.88869      0.689983 2.30143      0.97587  1.47609      0.975698 1.42791  0.345054  1.15558  0.372108  
1 1 1 54 15 22 o 1.29335  0.290181  1.84609      0.732059 2.60159      1.00653  0.997636     1.06666  1.5193   0.339829  1.02611  0.384698  
1 1 1 54 15 23 f 0.663429 0.289447  -0.0409572   0.723197 0.21934      0.967587 -0.370423    1.08858  0.811311 0.34382   0.748228 0.338865  
1 1 1 54 15 24 o 2.50595  0.159825  6.44649      0.80103  5.99972      1.07286  7.00926      1.20412  2.3879   0.224645  2.57572  0.233745  
1 1 1 54 15 25 o 2.68976  0.147872  7.4252       0.795478 8.01447      1.08153  6.73072      1.17412  2.76838  0.195336  2.51348  0.233564  
1 1 1 54 15 26 o 1.69526  0.219897  3.0562       0.745567 3.11716      1.01434  2.98456      1.0996   1.63874  0.320931  1.57679  0.356941  
1 1 1 54 15 27 o 1.68248  0.234075  3.0703       0.787652 2.40799      1.02504  4.02518      1.23079  1.38959  0.364355  1.8243   0.34981   
1 1 1 54 15 28 o 1.46979  0.276962  2.51393      0.784328 2.6759       1.03163  2.29204      1.20741  1.45035  0.35747   1.29103  0.413763  
1 1 1 54 15 29 o 0.647051 0.291965  -0.105907    0.800774 0.106664     1.09624  -0.3491      1.17254  0.770273 0.344821  0.725376 0.336727  
1 1 1 54 15 30 o 0.960046 0.354992  1.237        0.902076 1.1996       1.21333  1.28322      1.34886  0.954859 0.393519  0.975151 0.409231  
1 1 1 54 15 31 o 1.01622  0.358201  1.49037      0.908193 1.77083      1.291    1.21558      1.27786  1.04797  0.415194  0.937805 0.396156  
1 1 1 54 15 32 o 1.15318  0.416481  2.54327      1.23443  2.72577      1.79835  2.38066      1.6975   1.05305  0.457928  1.01879  0.44398   
1 1 1 54 15 33 o 0.611289 0.297735  -0.726838    1.17006  -0.972921    1.99063  -0.59694     1.44628  0.715668 0.355895  0.67079  0.327484  
1 1 1 54 16 0  o 3.85045  0.116377  14.8974      0.894358 14.8974      0.894358 14.8974      0.894358 3.85509  0.0821064 ?        ?         
1 1 1 54 16 1  o 4.89668  0.0770233 24.0214      0.754316 23.675       1.04265  24.4017      1.09263  4.85704  0.107334  4.93044  0.110804  
1 1 1 54 16 2  o 2.83596  0.0962359 8.06585      0.545843 8.78225      0.762659 7.31349      0.781565 2.95581  0.12901   2.69551  0.144975  
1 1 1 54 16 3  o 1.91129  0.132014  3.67303      0.504634 3.30121      0.643237 4.26818      0.813793 1.80788  0.177898  2.05322  0.198175  
1 1 1 54 16 4  o 4.33954  0.0752259 18.8656      0.652892 19.0642      0.898131 18.6432      0.950772 4.35878  0.103026  4.3093   0.110316  
1 1 1 54 16 5  o 0.997615 0.234097  1.05284      0.459543 0.394059     0.613734 1.89351      0.693302 0.750339 0.28894   1.33769  0.268598  
1 1 1 54 16 6  o 1.94572  0.118896  3.80398      0.462678 3.15296      0.621744 4.61192      0.692633 1.76631  0.176001  2.13795  0.161985  
1 1 1 54 16 7  f 1.96807  0.119534  3.89289      0.470505 3.15872      0.626728 4.84105      0.712233 1.76742  0.1773    2.18996  0.162614  
1 1 1 54 16 8  o 0.895067 0.256173  0.840681     0.482014 0.674693     0.591969 1.16726      0.83033  0.843118 0.289955  1.06654  0.343254  
1 1 1 54 16 9  o 2.05092  0.156997  4.2434       0.643975 4.48012      0.956186 4.0469       0.871174 2.09701  0.227987  1.99457  0.218387  
1 1 1 54 16 10 o 1.73046  0.190202  3.03418      0.658274 3.12197      0.97021  2.95929      0.896081 1.74215  0.278453  1.69858  0.263774  
1 1 1 54 16 11 o 1.58956  0.208859  2.56959      0.663986 2.71822      0.98494  2.44577      0.898973 1.59131  0.320727  1.51094  0.308162  
1 1 1 54 16 12 o 1.05847  0.292426  1.19508      0.639183 0.753372     0.908778 1.6275       0.899181 0.950593 0.355345  1.22843  0.349348  
1 1 1 54 16 13 o 2.48572  0.139091  6.22969      0.691483 6.13386      1.04603  6.30408      0.92156  2.45287  0.213227  2.4926   0.184859  
1 1 1 54 16 14 o 3.34533  0.0905269 11.2368      0.605684 11.4142      0.902983 11.0917      0.816643 3.36358  0.134229  3.31805  0.123061  
1 1 1 54 16 15 o 2.05669  0.144969  4.27523      0.596314 4.52262      0.85351  4.03932      0.833477 2.10471  0.202761  1.98767  0.209662  
1 1 1 54 16 16 o 3.58471  0.106424  12.9316      0.762998 14.1942      1.07836  11.6658      1.07972  3.74577  0.143944  3.39146  0.159182  
1 1 1 54 16 17 o 1.54524  0.213156  2.45154      0.658754 2.67822      0.924766 2.21802      0.938626 1.57096  0.305225  1.41665  0.335944  
1 1 1 54 16 18 o 3.41926  0.116342  11.7899      0.79561  11.7117      1.12338  11.8685      1.12696  3.39309  0.165539  3.41592  0.164956  
1 1 1 54 16 19 o 0.933307 0.316316  0.887586     0.703979 1.154        1.01913  0.644452     0.973584 1.06862  0.379166  0.921722 0.362014  
1 1 1 54 16 20 o 1.62678  0.207843  2.73198      0.676231 3.53719      0.92633  1.81327      0.989459 1.83767  0.252039  1.26561  0.368605  
1 1 1 54 16 21 o 0.912037 0.314128  0.843192     0.695011 0.409234     0.965217 1.31046      1.00158  0.858195 0.351878  1.10572  0.377298  
1 1 1 54 16 22 o 2.29506  0.170669  5.40134      0.783392 5.19313      1.13849  5.58857      1.07962  2.21608  0.256871  2.30973  0.23371   
1 1 1 54 16 23 o 4.84383  0.109181  23.7289      1.05771  22.7613      1.38901  25.0643      1.6318   4.72262  0.147059  4.94288  0.165066  
1 1 1 54 16 24 o 0.747139 0.307874  0.311844     0.742573 -0.196742    0.980794 0.994945     1.13668  0.726294 0.32562   1.01052  0.392371  
1 1 1 54 16 25 o 0.940983 0.325133  0.968253     0.745072 0.100129     1.00308  2.03673      1.11283  0.781787 0.340987  1.28537  0.394899  
1 1 1 54 16 26 o 1.23915  0.302703  1.79417      0.744792 2.44512      1.00585  1.00408      1.10815  1.41671  0.355312  0.987796 0.386619  
1 1 1 54 16 27 o 0.433268 0.215891  -1.73698     0.750876 -2.12        0.970539 -1.16589     1.18511  0.494906 0.246443  0.651706 0.313089  
1 1 1 54 16 28 o 1.05752  0.327573  1.39015      0.763609 1.59367      0.995162 1.09874      1.19079  1.10624  0.376087  0.983196 0.395389  
1 1 1 54 16 29 o 1.70067  0.250612  3.31184      0.85242  2.72407      1.13473  4.07314      1.29142  1.38928  0.3916    1.72949  0.383488  
1 1 1 54 16 30 o 1.17311  0.348943  1.91874      0.878363 2.23724      1.20307  1.55515      1.2854   1.18773  0.412884  1.01577  0.40984   
1 1 1 54 16 31 o 1.08231  0.37155   1.84559      0.971644 0.900936     1.39522  2.73516      1.35393  0.862679 0.387527  1.21581  0.436465  
1 1 1 54 16 32 o 0.723421 0.338913  0.277553     1.23072  0.440567     1.93143  0.166118     1.5969   0.795705 0.386144  0.751386 0.361574  
1 1 1 54 16 33 o 0.80152  0.357557  1.10033      1.16958  0.12452      1.77334  1.85159      1.55598  0.727294 0.356955  0.880486 0.400771  
1 1 1 54 17 0  o 1.76686  0.241892  3.32147      0.819241 3.32147      0.819241 3.32147      0.819241 1.79641  0.164401  ?        ?         
1 1 1 54 17 1  o 1.91439  0.149108  3.69182      0.570902 3.23935      0.746646 4.3287       0.885835 1.78682  0.208932  2.06472  0.214517  
1 1 1 54 17 2  o 2.79353  0.100124  7.8299       0.559398 8.19788      0.767223 7.41225      0.817374 2.85451  0.134388  2.71217  0.150686  
1 1 1 54 17 3  o 4.4121   0.0800329 19.5088      0.706226 19.604       0.940951 19.3861      1.06871  4.41908  0.106465  4.39184  0.12167   
1 1 1 54 17 4  o 3.83379  0.0819143 14.7321      0.628085 14.2449      0.855651 15.3014      0.924875 3.76576  0.113609  3.90213  0.118509  
1 1 1 54 17 5  o 4.09698  0.0785456 16.8222      0.643599 17.0109      0.948207 16.661       0.876402 4.11463  0.115224  4.07333  0.107578  
1 1 1 54 17 6  o 2.17147  0.112886  4.73695      0.490257 4.90664      0.682428 4.55597      0.704769 2.20554  0.154708  2.12389  0.165914  
1 1 1 54 17 7  o 3.2938   0.0979719 10.8865      0.6454   10.8818      0.870567 10.8922      0.961687 3.28835  0.132371  3.28764  0.146258  
1 1 1 54 17 8  o 1.92076  0.172989  3.72874      0.66454  2.37148      0.978957 4.88866      0.904996 1.48207  0.337684  2.19425  0.20622   
1 1 1 54 17 9  o 2.90892  0.120959  8.50817      0.703721 9.05241      1.05797  8.0763       0.942441 2.99116  0.17685   2.82713  0.166678  
1 1 1 54 17 10 o 3.87495  0.102284  15.0773      0.792688 13.8986      1.15655  16.1214      1.08859  3.71034  0.155856  4.00056  0.136055  
1 1 1 54 17 11 o 2.67196  0.12995   7.18765      0.694445 7.33285      1.02167  7.06296      0.946788 2.6884   0.190014  2.64055  0.179279  
1 1 1 54 17 12 o 2.50544  0.134508  6.32605      0.674004 6.101        0.964249 6.54106      0.942494 2.44957  0.19682   2.53869  0.185626  
1 1 1 54 17 13 o 2.11954  0.16283   4.5516       0.690249 4.75289      1.01618  4.37918      0.940522 2.15073  0.236241  2.06644  0.227571  
1 1 1 54 17 14 o 3.44975  0.114352  11.9798      0.788969 12.5616      1.09995  11.3633      1.1323   3.52248  0.156132  3.3467   0.169166  
1 1 1 54 17 15 o 1.9866   0.194183  4.02868      0.771525 4.99568      1.0509   2.89813      1.1363   2.20062  0.238774  1.61686  0.360667  
1 1 1 54 17 16 o 1.98069  0.156606  3.97927      0.620374 3.61251      0.895843 4.31723      0.859942 1.86955  0.239587  2.05162  0.209576  
1 1 1 54 17 17 o 1.63084  0.20273   2.72675      0.66124  1.56211      0.931333 3.9106       0.938982 1.19177  0.360292  1.94271  0.241669  
1 1 1 54 17 18 o 2.31137  0.150924  5.42294      0.69768  5.71473      1.01733  5.16385      0.958622 2.35435  0.216053  2.23861  0.214111  
1 1 1 54 17 19 o 1.70221  0.195562  2.97964      0.665773 3.42249      0.93862  2.53123      0.944499 1.80553  0.259929  1.50912  0.322378  
1 1 1 54 17 20 o 2.4704   0.14307   6.19786      0.706882 5.81921      0.980775 6.60718      1.01973  2.37406  0.206561  2.53166  0.201395  
1 1 1 54 17 21 o 2.51798  0.149999  6.45763      0.755385 6.45013      1.05043  6.46566      1.08706  2.49467  0.210535  2.49456  0.217887  
1 1 1 54 17 22 o 3.1295   0.127523  9.93464      0.798169 11.267       1.11743  8.54676      1.14048  3.31512  0.168535  2.87372  0.198433  
1 1 1 54 17 23 o 1.45866  0.270463  2.34976      0.759423 2.6849       1.04631  1.97664      1.10398  1.51741  0.351402  1.28552  0.392998  
1 1 1 54 17 24 o 1.49528  0.246923  2.40162      0.738439 2.9195       0.985292 1.73795      1.11539  1.59204  0.320701  1.20029  0.398157  
1 1 1 54 17 25 o 0.923528 0.327346  0.92166      0.759423 0.696455     0.995496 1.23516      1.17455  0.901821 0.361992  1.05885  0.401958  
1 1 1 54 17 26 o 0.586601 0.271184  -0.419684    0.750463 0.210487     0.984748 -1.2927      1.15906  0.783281 0.339711  0.635255 0.306266  
1 1 1 54 17 27 o 0.904944 0.325845  0.93878      0.755111 1.34722      0.984045 0.353853     1.17761  1.03895  0.372186  0.842267 0.368395  
1 1 1 54 17 28 o 0.47605  0.234095  -1.29226     0.768912 -0.387321    1.00593  -2.56409     1.19254  0.67298  0.312206  0.536568 0.268023  
1 1 1 54 17 29 o 0.596654 0.279672  -0.429689    0.842127 -0.54186     1.11599  -0.281345    1.28337  0.667753 0.315196  0.738694 0.346072  
1 1 1 54 17 30 o 1.5161   0.332617  3.07291      0.981057 2.93745      1.39926  3.20387      1.37588  1.30578  0.445955  1.38318  0.441525  
1 1 1 54 17 31 o 0.740671 0.333381  0.461991     1.03764  -1.07269     1.6468   1.47246      1.33627  0.686112 0.337923  0.920994 0.397527  
1 1 1 54 17 32 o 1.02286  0.395215  1.95952      1.15027  1.33838      1.70496  2.47844      1.55836  0.877907 0.40696   1.04334  0.438948  
1 1 1 54 17 33 o 0.586906 0.289063  -0.691731    1.20427  -0.611487    1.73296  -0.766671    1.67471  0.653581 0.325993  0.640079 0.319428  
1 1 1 54 18 0  o 3.08464  0.142528  9.61023      0.875022 9.61023      0.875022 9.61023      0.875022 3.09238  0.100281  ?        ?         
1 1 1 54 18 1  o 3.1571   0.102157  10.0048      0.645043 10.4875      0.851037 9.3532       0.988853 3.22828  0.131809  3.04377  0.162439  
1 1 1 54 18 2  o 3.12037  0.0996634 9.77163      0.621972 10.0679      0.839568 9.41124      0.92597  3.1629   0.132721  3.05506  0.151547  
1 1 1 54 18 3  o 0.56152  0.248175  -0.157928    0.548392 0.389587     0.680485 -1.17229     0.926224 0.773522 0.302922  0.590471 0.281998  
1 1 1 54 18 4  o 3.88226  0.0834445 15.1097      0.647907 15.1218      0.896804 15.0965      0.937081 3.8793   0.115588  3.87517  0.120908  
1 1 1 54 18 5  o 2.82523  0.0961779 8.00838      0.543449 7.92677      0.736763 8.10577      0.804847 2.80672  0.13125   2.83676  0.14186   
1 1 1 54 18 6  o 4.98388  0.0819072 24.8986      0.816432 23.7516      1.16797  25.9945      1.14169  4.86091  0.120139  5.08694  0.112218  
1 1 1 54 18 7  o 3.02606  0.11406   9.20109      0.690305 8.33312      1.00355  9.9806       0.951039 2.87043  0.174809  3.14586  0.151157  
1 1 1 54 18 8  o 3.97127  0.101025  15.8331      0.802396 14.9563      1.17013  16.6114      1.10241  3.85019  0.151958  4.06126  0.135723  
1 1 1 54 18 9  o 3.9819   0.101612  15.9205      0.809219 16.5601      1.19289  15.3753      1.10139  4.05196  0.147199  3.9057   0.140998  
1 1 1 54 18 10 o 1.61784  0.199889  2.65948      0.646778 2.38583      0.930284 2.91551      0.899839 1.48673  0.321949  1.68322  0.267297  
1 1 1 54 18 11 o 6.1795   0.0898931 38.3224      1.11099  36.6494      1.51786  40.253       1.63053  6.03276  0.125802  6.32127  0.128972  
1 1 1 54 18 12 f 2.74233  0.133502  7.58709      0.732211 7.80495      1.00539  7.34103      1.0685   2.77129  0.181394  2.68327  0.199103  
1 1 1 54 18 13 o 0.641361 0.282022  -0.136601    0.697754 -0.0511864   0.985451 -0.222475    0.988099 0.781582 0.339415  0.751352 0.332466  
1 1 1 54 18 14 o 2.89765  0.138863  8.48527      0.804756 8.1232       1.14022  8.84466      1.13599  2.81853  0.202272  2.94396  0.192935  
1 1 1 54 18 15 o 0.879648 0.329801  0.656834     0.783968 -0.202749    1.08621  1.59147      1.13264  0.7889   0.348895  1.21589  0.401225  
1 1 1 54 18 16 o 0.702455 0.292119  0.169605     0.677528 -0.731458    0.981395 0.990147     0.936519 0.664358 0.30827   1.01216  0.363037  
1 1 1 54 18 17 o 1.83933  0.179576  3.45406      0.660598 3.47753      1.10222  3.4409       0.825231 1.78315  0.320745  1.82471  0.226126  
1 1 1 54 18 18 o 1.5745   0.222414  2.5671       0.700382 1.84595      1.08821  3.07708      0.915106 1.27734  0.390117  1.71088  0.267437  
1 1 1 54 18 19 o 0.840498 0.302298  0.666108     0.649756 2.1516       0.933114 -0.732161    0.905304 1.3821   0.339559  0.626872 0.292875  
1 1 1 54 18 20 o 3.53101  0.11506   12.5968      0.812557 13.0413      1.09422  12.0504      1.21323  3.57877  0.152876  3.42973  0.176871  
1 1 1 54 18 21 o 0.993714 0.31445   1.07813      0.698991 1.549        0.955283 0.535496     1.02549  1.16878  0.367264  0.897613 0.364475  
1 1 1 54 18 22 o 1.646    0.220727  2.84037      0.726633 1.49432      1.00163  4.33577      1.05573  1.14477  0.377307  2.01511  0.261955  
1 1 1 54 18 23 o 1.53007  0.245644  2.50441      0.751702 1.90482      1.02413  3.2047       1.10681  1.25986  0.377203  1.65697  0.345335  
1 1 1 54 18 24 o 2.48205  0.157447  6.35227      0.781583 6.4829       1.02098  6.16735      1.21475  2.48091  0.205767  2.3881   0.254335  
1 1 1 54 18 25 o 1.45377  0.274396  2.39518      0.768668 1.66746      0.995108 3.47176      1.21035  1.16419  0.375882  1.68354  0.369529  
1 1 1 54 18 26 o 1.59074  0.246294  2.78941      0.783579 2.0492       1.00855  3.91663      1.2446   1.26347  0.373484  1.77255  0.363583  
1 1 1 54 18 27 o 0.733879 0.307665  0.34517      0.761121 0.608755     0.985893 -0.0436855   1.19747  0.848138 0.35252   0.780789 0.354372  
1 1 1 54 18 28 o 0.765937 0.322363  0.457113     0.841013 0.575891     1.14011  0.315331     1.24563  0.846996 0.366409  0.822646 0.367934  
1 1 1 54 18 29 o 0.955743 0.353068  1.24814      0.891904 1.79166      1.30893  0.777055     1.21859  1.06549  0.419351  0.86739  0.377069  
1 1 1 54 18 30 o 0.982465 0.371089  1.47159      0.996897 1.04521      1.45035  1.85344      1.37252  0.896724 0.399149  1.03311  0.420931  
1 1 1 54 18 31 o 1.36499  0.39512   3.19583      1.14034  5.25111      1.86549  1.96968      1.44089  1.44675  0.513028  0.971229 0.415834  
1 1 1 54 18 32 o 0.83517  0.359616  1.16968      1.08853  -0.669295    1.62441  2.66853      1.46651  0.679905 0.334854  1.05335  0.433122  
1 1 1 54 19 0  o 5.4504   0.111148  29.8095      1.21046  29.8095      1.21046  29.8095      1.21046  5.45508  0.0784888 ?        ?         
1 1 1 54 19 1  o 3.26795  0.100243  10.7179      0.655176 10.5324      0.865835 10.9665      1.00216  3.23491  0.133827  3.29784  0.151942  
1 1 1 54 19 2  o 3.15571  0.0999888 9.99413      0.631072 10.7845      0.88491  9.17616      0.900229 3.27319  0.135175  3.01711  0.149187  
1 1 1 54 19 3  o 1.38775  0.183185  1.94894      0.508429 1.66353      0.688018 2.29229      0.754648 1.24821  0.282196  1.47404  0.26568   
1 1 1 54 19 4  o 4.10459  0.0823981 16.8894      0.676421 16.6358      0.948115 17.1522      0.965326 4.06857  0.116517  4.13117  0.116834  
1 1 1 54 19 5  o 4.87359  0.0808617 23.81        0.788174 24.5388      1.1147   23.0813      1.11459  4.94186  0.112782  4.79212  0.116294  
1 1 1 54 19 6  o 3.61025  0.10895   13.0936      0.786675 12.7742      1.14729  13.377       1.08074  3.55625  0.161306  3.64199  0.148373  
1 1 1 54 19 7  o 3.43932  0.113695  11.8895      0.782068 13.1335      1.13061  10.7481      1.08295  3.60649  0.156746  3.26064  0.166064  
1 1 1 54 19 8  o 4.44917  0.0983622 19.8718      0.87526  19.9404      1.24105  19.8038      1.23459  4.44806  0.139504  4.43286  0.139254  
1 1 1 54 19 9  o 4.32482  0.0964112 18.7756      0.833922 18.2846      1.16466  19.2921      1.1946   4.25952  0.136713  4.37535  0.136514  
1 1 1 54 19 10 o 2.78496  0.133907  7.82009      0.745851 8.68362      1.05408  6.9542       1.05551  2.92501  0.180183  2.61265  0.202     
1 1 1 54 19 11 o 5.2593   0.093383  27.7809      0.982259 27.0565      1.36779  28.5522      1.41149  5.17919  0.132046  5.32021  0.132654  
1 1 1 54 19 12 o 3.08196  0.125066  9.57419      0.770895 10.6041      1.09622  8.56659      1.0843   3.23277  0.169549  2.90114  0.186874  
1 1 1 54 19 13 o 3.26706  0.131101  10.7747      0.856625 10.6758      1.20785  10.8748      1.21508  3.23637  0.186606  3.2666   0.185986  
1 1 1 54 19 14 o 1.96069  0.188732  3.92373      0.740089 3.63996      1.08484  4.17079      1.01222  1.86249  0.291234  2.00545  0.252367  
1 1 1 54 19 15 f 3.2922   0.124005  10.9395      0.816499 10.4822      1.2131   11.3182      1.10401  3.20287  0.189376  3.33658  0.16544   
1 1 1 54 19 16 o 0.538279 0.253536  -0.741299    0.714637 -1.4796      1.05891  -0.123766    0.968437 0.606556 0.292505  0.755563 0.332246  
1 1 1 54 19 17 o 2.21631  0.171685  5.01368      0.761014 4.12615      1.07794  5.89561      1.07454  1.98052  0.272136  2.38605  0.225171  
1 1 1 54 19 18 o 0.943272 0.303378  0.94358      0.648695 0.977584     1.06648  0.923611     0.817265 1.02392  0.38451   0.96145  0.339705  
1 1 1 54 19 19 o 0.713903 0.291585  0.256531     0.660224 1.92967      0.959258 -1.24945     0.910079 1.30361  0.357398  0.564511 0.271969  
1 1 1 54 19 20 o 1.50647  0.231222  2.37539      0.69666  1.22998      1.01557  3.39346      0.95745  1.07558  0.378819  1.78723  0.267859  
1 1 1 54 19 21 o 1.08126  0.310074  1.311        0.705511 2.20868      1.05329  0.580516     0.95015  1.37464  0.373459  0.88583  0.354449  
1 1 1 54 19 22 o 1.08427  0.312057  1.34095      0.713297 2.02448      0.957815 0.489843     1.06879  1.30984  0.356255  0.886001 0.367574  
1 1 1 54 19 23 o 0.604837 0.274156  -0.263956    0.71402  0.0682911    0.911561 -0.791452    1.14859  0.746882 0.325418  0.6974   0.326846  
1 1 1 54 19 24 o 1.68738  0.226786  3.04322      0.765348 2.07763      1.01315  4.32658      1.16802  1.30082  0.371113  1.96674  0.296945  
1 1 1 54 19 25 o 0.760244 0.310047  0.41908      0.745356 0.121952     0.961777 0.86587      1.17938  0.759004 0.332445  0.956516 0.390036  
1 1 1 54 19 26 o 1.11435  0.331622  1.54401      0.793198 1.5731       1.04163  1.50385      1.22376  1.10204  0.384079  1.08223  0.41045   
1 1 1 54 19 27 o 0.881214 0.33363   0.875288     0.807373 -0.0902227   1.08076  2.09453      1.2145   0.737569 0.335262  1.21564  0.41547   
1 1 1 54 19 28 o 0.849456 0.340734  0.820685     0.881133 0.141407     1.27306  1.44534      1.2208   0.790397 0.360499  1.01077  0.40271   
1 1 1 54 19 29 o 1.0524   0.36216   1.60166      0.923634 0.895199     1.31045  2.29905      1.30202  0.889281 0.388791  1.17438  0.427376  
1 1 1 54 19 30 o 0.88443  0.351113  1.18666      0.924975 3.17212      1.42063  -0.274457    1.21869  1.25744  0.447516  0.679837 0.324389  
1 1 1 54 19 31 o 0.89978  0.374397  1.3897       1.11396  2.4711       1.6556   0.495159     1.50579  1.02109  0.44163   0.780201 0.367643  
1 1 1 54 19 32 o 0.684606 0.324099  0.40868      1.18926  4.46317      1.72185  -3.28995     1.64455  1.15844  0.471643  ?        ?         
1 1 1 54 20 0  o 1.36975  0.335871  2.21242      0.796092 2.21242      0.796092 2.21242      0.796092 1.43903  0.20842   ?        ?         
1 1 1 54 20 1  o 1.52211  0.18511   2.34689      0.563514 3.10643      0.768042 1.46128      0.829343 1.74651  0.219879  1.16894  0.336505  
1 1 1 54 20 2  o 5.47447  0.0778463 30.0392      0.852334 31.4326      1.23154  28.7582      1.18082  5.5935   0.110087  5.35019  0.110353  
1 1 1 54 20 3  f 2.2936   0.116503  5.28831      0.534423 5.92091      0.749959 4.63565      0.761754 2.42204  0.15482   2.13993  0.177986  
1 1 1 54 20 4  o 2.43142  0.106637  5.93836      0.518557 6.29443      0.73536  5.58616      0.731357 2.49821  0.147177  2.35231  0.155455  
1 1 1 54 20 5  o 1.65426  0.158552  2.76392      0.524574 2.77104      0.662233 2.75193      0.859459 1.65146  0.200499  1.63655  0.262582  
1 1 1 54 20 6  o 1.17239  0.279244  1.47214      0.646314 0.334045     0.990878 2.31489      0.852665 0.869194 0.356479  1.47028  0.30035   
1 1 1 54 20 7  o 3.81922  0.10149   14.6471      0.775224 13.6188      1.15171  15.499       1.04824  3.67194  0.156826  3.92258  0.133616  
1 1 1 54 20 8  o 0.939372 0.303162  0.901329     0.647366 1.32567      0.972505 0.563679     0.867495 1.13136  0.371781  0.883393 0.342825  
1 1 1 54 20 9  o 2.93905  0.121867  8.70088      0.716345 8.12306      1.05616  9.19315      0.97485  2.8262   0.186851  3.0129   0.161779  
1 1 1 54 20 10 o 4.3631   0.0969794 19.1267      0.846261 18.7421      1.21942  19.484       1.17538  4.30763  0.141542  4.3944   0.133736  
1 1 1 54 20 11 o 6.74878  0.0961425 45.7639      1.29769  46.0554      1.8412   45.4763      1.82928  6.75395  0.136305  6.71136  0.136282  
1 1 1 54 20 12 o 2.51235  0.14649   6.38738      0.736069 6.30043      1.05444  6.47002      1.02798  2.47888  0.212685  2.51438  0.204421  
1 1 1 54 20 13 o 4.12046  0.107168  17.0915      0.883163 16.6629      1.24208  17.5299      1.256    4.0544   0.153177  4.15934  0.150986  
1 1 1 54 20 14 o 1.96427  0.180291  3.93421      0.708279 4.49942      1.01007  3.38743      0.993456 2.08431  0.242303  1.79928  0.276071  
1 1 1 54 20 15 o 3.66129  0.119256  13.5269      0.873259 12.8417      1.28126  14.1213      1.19337  3.54644  0.18064   3.72717  0.160091  
1 1 1 54 20 16 o 2.71153  0.146386  7.46146      0.793861 8.00363      1.15544  6.97668      1.09258  2.78795  0.20722   2.60196  0.209953  
1 1 1 54 20 17 o 3.71281  0.118775  13.9305      0.881978 12.0993      1.26425  15.6667      1.23103  3.43526  0.18401   3.92222  0.15693   
1 1 1 54 20 18 o 0.846831 0.319172  0.618772     0.736149 0.888426     1.05542  0.363298     1.0273   0.997326 0.380318  0.867183 0.360104  
1 1 1 54 20 19 o 2.19315  0.153495  4.90474      0.673273 5.20396      0.99252  4.64969      0.916341 2.23569  0.221971  2.11528  0.2166    
1 1 1 54 20 20 o 1.30704  0.272234  1.87801      0.688188 3.01848      1.05394  1.03032      0.908638 1.63506  0.33384   1.0019   0.357768  
1 1 1 54 20 21 o 0.805724 0.308995  0.556068     0.699914 0.713678     0.978681 0.391068     1.00136  0.918856 0.362301  0.850093 0.354426  
1 1 1 54 20 22 o 1.10713  0.318731  1.41697      0.744027 1.82831      1.0006   0.908256     1.11274  1.23427  0.373511  0.982683 0.386684  
1 1 1 54 20 23 o 0.678793 0.295166  0.0384596    0.747106 0.874438     1.00509  -0.993785    1.11686  0.949142 0.368874  0.660663 0.313384  
1 1 1 54 20 24 o 1.29958  0.304403  1.98026      0.778129 1.24767      1.0152   3.0236       1.21153  1.03768  0.377403  1.54644  0.391219  
1 1 1 54 20 25 o 0.666722 0.295906  -0.0345098   0.790678 -0.509784    1.07435  0.527101     1.16787  0.688628 0.320688  0.876452 0.374784  
1 1 1 54 20 26 o 0.550782 0.264767  -0.929143    0.850783 -0.799854    1.15438  -1.08287     1.25876  0.672461 0.318803  0.67477  0.323805  
1 1 1 54 20 27 o 1.48125  0.309401  2.72992      0.886754 2.7723       1.3196   2.69503      1.19741  1.34892  0.432582  1.36207  0.407879  
1 1 1 54 20 28 o 0.741458 0.32302   0.366054     0.897975 0.93516      1.27148  -0.200289    1.26839  0.899384 0.387979  0.736694 0.34494   
1 1 1 54 20 29 o 0.850253 0.344261  0.93243      0.911424 -0.681858    1.37827  2.18694      1.21501  0.693596 0.33429   1.13747  0.412957  
1 1 1 54 20 30 o 1.02123  0.379188  1.84049      1.03138  2.15355      1.511    1.56738      1.41127  0.996201 0.426156  0.914228 0.401553  
1 1 1 54 20 31 o 0.892924 0.37326   1.43935      1.11512  1.97761      1.65979  0.996495     1.5055   0.926939 0.419186  0.816597 0.380026  
1 1 1 54 21 0  o 8.79878  0.119159  77.6799      2.09604  77.6799      2.09604  77.6799      2.09604  8.80618  0.0841698 ?        ?         
1 1 1 54 21 1  o 3.90674  0.0882436 15.31        0.68949  16.6074      0.954591 13.8949      0.996959 4.06399  0.117445  3.71421  0.134209  
1 1 1 54 21 2  o 5.28198  0.0772061 27.9657      0.815602 28.6632      1.17104  27.3087      1.1366   5.34091  0.109629  5.21333  0.109009  
1 1 1 54 21 3  o 5.00301  0.0759391 25.0879      0.759847 25.2243      1.13113  24.9758      1.02575  5.00949  0.112899  4.98693  0.102844  
1 1 1 54 21 4  o 2.00948  0.116908  4.06024      0.469848 4.60087      0.6434   3.44252      0.687745 2.13512  0.150671  1.84238  0.186646  
1 1 1 54 21 5  o 1.38583  0.221336  1.95968      0.613469 2.18771      0.956852 1.80052      0.799382 1.41773  0.3411    1.29068  0.312551  
1 1 1 54 21 6  o 3.21667  0.109194  10.4017      0.702485 9.57921      1.04806  11.0727      0.946598 3.07521  0.170404  3.31255  0.142881  
1 1 1 54 21 7  o 0.567398 0.256623  -0.306136    0.622234 0.362578     0.897793 -0.924271    0.863172 0.839694 0.341004  0.589129 0.277825  
1 1 1 54 21 8  o 2.38297  0.13948   5.73378      0.664753 4.95156      0.967171 6.43417      0.915186 2.19891  0.219921  2.51595  0.181877  
1 1 1 54 21 9  o 5.16687  0.0895804 26.8053      0.925701 28.1605      1.33894  25.5643      1.28125  5.28519  0.126669  5.03548  0.127222  
1 1 1 54 21 10 o 2.38554  0.145603  5.7549       0.694685 5.22542      0.995619 6.25724      0.969756 2.25685  0.220577  2.47628  0.195809  
1 1 1 54 21 11 o 3.14239  0.122215  9.95834      0.768095 8.71627      1.07388  11.2593      1.09905  2.92434  0.183611  3.32972  0.165037  
1 1 1 54 21 12 o 0.514636 0.244511  -0.796182    0.682339 -0.8197      0.98758  -0.774701    0.94385  0.655457 0.3061    0.642906 0.299853  
1 1 1 54 21 13 o 3.43389  0.11809   11.8914      0.811015 11.6365      1.17925  12.1202      1.11717  3.37996  0.174447  3.45392  0.161724  
1 1 1 54 21 14 o 0.807728 0.309358  0.511644     0.700806 0.0928187    1.02292  0.88211      0.962055 0.816365 0.349977  0.984462 0.366087  
1 1 1 54 21 15 o 3.09476  0.135917  9.69935      0.84126  9.73955      1.20774  9.66146      1.17249  3.08035  0.196039  3.07     0.190959  
1 1 1 54 21 16 o 2.65995  0.151168  7.19607      0.8042   6.29864      1.14339  8.07466      1.13132  2.46076  0.232325  2.79937  0.202068  
1 1 1 54 21 17 o 1.51593  0.242113  2.40059      0.734053 3.40459      1.04548  1.4244       1.03089  1.78782  0.292388  1.14283  0.382779  
1 1 1 54 21 18 o 0.986266 0.320362  1.04361      0.722103 1.79085      1.02775  0.315079     1.01479  1.25233  0.378458  0.850292 0.355798  
1 1 1 54 21 19 o 0.860684 0.291398  0.762675     0.597435 1.14899      1.08562  0.594859     0.715528 1.06213  0.389883  0.828893 0.314004  
1 1 1 54 21 20 o 0.940456 0.326348  0.930217     0.751334 0.751711     1.00358  1.15785      1.1333   0.936498 0.367634  1.06212  0.396862  
1 1 1 54 21 21 o 1.92822  0.204998  3.89768      0.790561 2.68666      1.07937  5.29917      1.16115  1.50307  0.362688  2.21599  0.261994  
1 1 1 54 21 22 f 2.21885  0.177314  5.11621      0.786866 4.67004      1.0583   5.66778      1.17668  2.07865  0.254564  2.28823  0.257117  
1 1 1 54 21 23 o 1.00922  0.32358   1.18069      0.738387 0.115315     0.984676 2.54944      1.1161   0.772622 0.337409  1.43051  0.382557  
1 1 1 54 21 24 o 1.47094  0.284805  2.49921      0.807959 3.0275       1.05456  1.74836      1.25722  1.57455  0.34435   1.16285  0.420276  
1 1 1 54 21 25 o 0.698381 0.307821  0.0679627    0.835885 -0.479885    1.16997  0.639167     1.19465  0.717025 0.334199  0.894743 0.380717  
1 1 1 54 21 26 o 0.629505 0.289835  -0.30507     0.84605  -0.0919699   1.14503  -0.561313    1.25559  0.752355 0.34281   0.720996 0.338591  
1 1 1 54 21 27 o 0.662711 0.301939  -0.0936765   0.887877 0.300987     1.25791  -0.485512    1.2534   0.808219 0.365243  0.708799 0.334414  
1 1 1 54 21 28 f 0.574797 0.276028  -0.760374    0.91881  -0.312483    1.3558   -1.14078     1.24949  0.737354 0.347863  0.634884 0.308877  
1 1 1 54 21 29 o 1.14522  0.36972   2.11725      0.962767 2.18588      1.36834  2.04997      1.35487  1.05506  0.424027  1.02989  0.418686  
1 1 1 54 21 30 o 0.792342 0.348921  0.82468      1.07123  1.9231       1.56542  -0.142685    1.46907  0.951169 0.419984  0.71607  0.345123  
1 1 1 54 21 31 o 0.619982 0.299731  -0.192275    1.13332  -2.57483     1.63532  2.00953      1.57206  0.557424 0.283329  0.860212 0.395646  
1 1 1 54 22 0  o 1.15892  0.383726  1.75324      0.788142 1.75324      0.788142 1.75324      0.788142 1.2485   0.252002  ?        ?         
1 1 1 54 22 1  o 6.37405  0.07669   40.7314      0.977652 40.44        1.33651  41.0668      1.43383  6.34401  0.105336  6.39094  0.112177  
1 1 1 54 22 2  o 3.80155  0.0860128 14.4986      0.653965 15.5794      0.901122 13.296       0.950548 3.93574  0.114479  3.63271  0.130832  
1 1 1 54 22 3  o 3.88666  0.0808096 15.1507      0.628159 16.3308      0.939239 14.1957      0.844929 4.02877  0.116566  3.75699  0.112448  
1 1 1 54 22 4  o 2.58192  0.103999  6.70032      0.537034 7.02792      0.704923 6.2472       0.829047 2.63998  0.133509  2.48322  0.16693   
1 1 1 54 22 5  f 2.30054  0.142918  5.34614      0.657575 5.21161      1.00854  5.44562      0.867269 2.2553   0.223594  2.31366  0.187424  
1 1 1 54 22 6  o 3.07973  0.112258  9.54462      0.691451 10.3189      1.03342  8.917        0.930394 3.19152  0.161901  2.96801  0.156737  
1 1 1 54 22 7  o 5.44135  0.090464  29.731       0.984492 28.8434      1.35249  30.7313      1.4358   5.34901  0.126425  5.52001  0.130054  
1 1 1 54 22 8  o 2.28255  0.148669  5.27003      0.67869  5.75265      0.996052 4.85177      0.92726  2.37131  0.210021  2.17704  0.212963  
1 1 1 54 22 9  o 3.72917  0.103115  13.9881      0.769065 12.723       1.10474  15.1776      1.07127  3.54323  0.155895  3.87544  0.138213  
1 1 1 54 22 10 f 3.27273  0.117154  10.7952      0.766826 10.2444      1.09811  11.3194      1.0713   3.17343  0.173015  3.33976  0.160386  
1 1 1 54 22 11 o 2.59298  0.143154  6.80474      0.74239  6.62922      1.06695  6.96947      1.03364  2.54192  0.209871  2.60997  0.198017  
1 1 1 54 22 12 o 2.26646  0.159858  5.21722      0.724627 5.02089      1.04647  5.39808      1.00438  2.20272  0.237539  2.28965  0.219331  
1 1 1 54 22 13 o 2.20342  0.169361  4.94472      0.746349 4.35241      1.09148  5.46489      1.02285  2.03943  0.267595  2.30115  0.222248  
1 1 1 54 22 14 o 0.882238 0.314546  0.744282     0.702111 0.580217     1.00627  0.899931     0.980117 0.914571 0.365229  0.99026  0.369255  
1 1 1 54 22 15 o 1.70786  0.219497  3.02166      0.749743 4.40554      1.07155  1.69441      1.04939  2.04745  0.261679  1.22749  0.384773  
1 1 1 54 22 16 o 2.08729  0.180648  4.4648       0.754129 4.26433      1.04337  4.68408      1.09124  2.01427  0.258995  2.1113   0.258428  
1 1 1 54 22 17 o 2.27715  0.166332  5.29943      0.757524 5.4425       1.06368  5.15218      1.07909  2.28422  0.232833  2.21828  0.243225  
1 1 1 54 22 18 o 1.43773  0.270393  2.25836      0.748934 1.64667      1.04129  2.91391      1.07796  1.20153  0.384163  1.59932  0.346762  
1 1 1 54 22 19 o 3.25042  0.135435  10.7513      0.880439 9.81563      1.28891  11.5698      1.20552  3.06887  0.209997  3.34991  0.179934  
1 1 1 54 22 20 o 0.865456 0.32453   0.709709     0.759164 0.425915     1.06646  1.00126      1.08093  0.870774 0.36458   1.00477  0.384383  
1 1 1 54 22 21 o 1.66194  0.234221  2.94803      0.778521 2.33841      1.03604  3.73876      1.17994  1.39268  0.36683   1.79047  0.341752  
1 1 1 54 22 22 o 1.58287  0.241417  2.69893      0.764266 2.968        1.02326  2.35944      1.14937  1.58842  0.332794  1.37181  0.396547  
1 1 1 54 22 23 o 0.715468 0.308419  0.151876     0.802379 -0.189005    1.13817  0.488677     1.13133  0.761695 0.345647  0.874402 0.371228  
1 1 1 54 22 24 o 2.52124  0.187721  6.75856      0.946579 6.20862      1.29687  7.38558      1.38478  2.33493  0.277711  2.55397  0.271104  
1 1 1 54 22 25 f 0.899003 0.336136  0.918636     0.813274 0.754919     1.15828  1.07783      1.14218  0.905558 0.379585  0.971591 0.38868   
1 1 1 54 22 26 o 1.00212  0.348704  1.32485      0.858298 1.65451      1.18466  0.960611     1.24524  1.07461  0.404918  0.926742 0.391254  
1 1 1 54 22 27 o 0.683057 0.311462  -0.0354518   0.948955 0.566309     1.39423  -0.554826    1.29528  0.854541 0.385438  0.703644 0.335434  
1 1 1 54 22 28 o 0.684897 0.312822  0.0488471    0.963871 -0.7019      1.43457  0.666667     1.30138  0.700689 0.338485  0.831987 0.373981  
1 1 1 54 22 29 o 0.638424 0.300293  -0.145487    0.995867 -0.484559    1.49481  0.125113     1.33538  0.694128 0.337744  0.726757 0.34376   
1 1 1 54 22 30 o 0.862834 0.362517  1.26106      1.06054  1.50336      1.50926  1.02471      1.49056  0.879106 0.398526  0.821568 0.380717  
1 1 1 54 23 0  o 2.11357  0.205851  4.6382       0.851213 4.6382       0.851213 4.6382       0.851213 2.13428  0.142464  ?        ?         
1 1 1 54 23 1  o 3.11872  0.101668  9.77659      0.634149 10.0423      0.858859 9.45803      0.940311 3.1545   0.136132  3.05751  0.153771  
1 1 1 54 23 2  o 2.62712  0.106513  6.94096      0.559643 6.98146      0.790822 6.90034      0.79209  2.62748  0.150491  2.61195  0.151628  
1 1 1 54 23 3  o 3.49354  0.0839525 12.248       0.586583 12.9638      0.851234 11.6009      0.809451 3.58791  0.118625  3.39394  0.119249  
1 1 1 54 23 4  o 3.89576  0.0993812 15.2527      0.774331 15.0232      1.13134  15.455       1.06208  3.85509  0.146733  3.91315  0.135706  
1 1 1 54 23 5  o 3.24766  0.105353  10.6069      0.684298 10.1145      0.98519  11.0658      0.951193 3.16083  0.155844  3.30916  0.143721  
1 1 1 54 23 6  f 4.53522  0.0888786 20.6535      0.806168 21.5743      1.17851  19.8437      1.10521  4.62509  0.127403  4.43655  0.124557  
1 1 1 54 23 7  o 4.81993  0.0892097 23.3329      0.859968 22.167       1.20684  24.5356      1.22574  4.68688  0.128747  4.93246  0.124252  
1 1 1 54 23 8  o 0.979599 0.312187  1.00627      0.688069 0.632569     0.992274 1.35238      0.954953 0.930287 0.365443  1.12832  0.368411  
1 1 1 54 23 9  o 1.86     0.186969  3.53003      0.695524 3.09562      1.00145  3.93481      0.966709 1.69073  0.307521  1.94896  0.248006  
1 1 1 54 23 10 o 1.49429  0.231526  2.30452      0.691934 2.37208      1.00243  2.24304      0.956283 1.46102  0.347627  1.42254  0.340206  
1 1 1 54 23 11 o 0.634398 0.278659  -0.115353    0.679706 0.646671     0.972755 -0.842363    0.950144 0.925241 0.362211  0.634956 0.297525  
1 1 1 54 23 12 o 3.87534  0.107415  15.1312      0.832542 15.0572      1.16449  15.2087      1.19074  3.85162  0.151168  3.86992  0.153845  
1 1 1 54 23 13 o 1.88626  0.19682   3.65418      0.742507 3.96914      1.09402  3.3852       1.01101  1.93919  0.282082  1.79081  0.282277  
1 1 1 54 23 14 o 3.34837  0.121632  11.3354      0.814538 11.3472      1.15872  11.324       1.14526  3.33125  0.173917  3.32864  0.172031  
1 1 1 54 23 15 f 1.74481  0.216981  3.15325      0.757183 3.21482      1.09791  3.09739      1.04564  1.69851  0.335129  1.67153  0.324355  
1 1 1 54 23 16 o 1.47424  0.241032  2.27276      0.710679 2.93869      0.97899  1.53088      1.03331  1.6313   0.311227  1.17328  0.383228  
1 1 1 54 23 17 o 1.1006   0.313804  1.35545      0.724614 1.16984      1.00148  1.55939      1.04974  1.05658  0.37577   1.17559  0.386263  
1 1 1 54 23 18 o 1.98256  0.198766  4.0753       0.788128 4.49881      1.08113  3.595        1.15134  2.05584  0.262941  1.78362  0.335089  
1 1 1 54 23 19 o 1.60162  0.240188  2.72524      0.769383 1.87651      1.09662  3.548        1.07972  1.25314  0.393441  1.77083  0.316257  
1 1 1 54 23 20 o 2.16838  0.191642  4.91061      0.831109 4.33209      1.19568  5.45143      1.15606  1.97538  0.302644  2.24711  0.257232  
1 1 1 54 23 21 o 2.15393  0.192933  4.86149      0.831131 3.82711      1.13009  6.08012      1.22662  1.84798  0.305764  2.3653   0.259296  
1 1 1 54 23 22 o 1.36499  0.310129  2.1883       0.82761  3.06739      1.17702  1.32867      1.16392  1.56949  0.378754  1.07007  0.401722  
1 1 1 54 23 23 o 2.01594  0.220096  4.39516      0.8874   5.27114      1.23212  3.45104      1.27914  2.1513   0.286366  1.62808  0.396067  
1 1 1 54 23 24 o 0.860423 0.33618   0.767107     0.837117 0.587831     1.18667  0.944696     1.18107  0.882389 0.377571  0.951346 0.389517  
1 1 1 54 23 25 o 0.619079 0.286354  -0.337779    0.838239 -1.66939     1.18558  0.993244     1.18532  0.592953 0.291291  0.941019 0.388542  
1 1 1 54 23 26 o 1.63146  0.318805  3.40905      1.00313  0.936962     1.39116  6.08662      1.44782  0.917628 0.40089   2.17452  0.332905  
1 1 1 54 23 27 o 0.629177 0.295823  -0.416795    0.964514 -2.73026     1.36558  1.8862       1.36248  0.557781 0.280064  1.06869  0.425546  
1 1 1 54 23 28 o 0.868192 0.350719  1.12933      0.942899 1.61812      1.33729  0.646097     1.32967  0.948546 0.403183  0.801546 0.366648  
1 1 1 54 23 29 o 1.37566  0.381633  3.12097      1.08616  3.61623      1.56583  2.66166      1.50793  1.25438  0.466926  1.08117  0.440975  
1 1 1 54 23 30 o 0.498037 0.249018  -1.52937     1.04376  -2.78941     1.4758   -0.268283    1.47641  0.523986 0.266852  0.655243 0.322761  
1 1 1 54 24 0  o 0.510529 0.334115  -0.0128626   0.814507 -0.0128626   0.814507 -0.0128626   0.814507 0.430503 0.281423  ?        ?         
1 1 1 54 24 1  o 2.25606  0.136227  5.13878      0.614673 5.51609      0.826873 4.67276      0.918958 2.32964  0.177468  2.13612  0.2151    
1 1 1 54 24 2  o 2.23098  0.121054  5.01547      0.540139 4.95535      0.755968 5.07818      0.772028 2.20915  0.171099  2.23606  0.172631  
1 1 1 54 24 3  o 2.35983  0.105867  5.602        0.499654 5.77609      0.70905  5.43029      0.704211 2.38936  0.148377  2.31606  0.152028  
1 1 1 54 24 4  o 2.96861  0.11886   8.88037      0.705697 9.18882      1.00503  8.58039      0.991131 3.00847  0.167033  2.90625  0.170518  
1 1 1 54 24 5  f 4.5587   0.0903664 20.8769      0.823908 20.0464      1.15004  21.7527      1.18094  4.45648  0.12903   4.64288  0.127178  
1 1 1 54 24 6  o 4.40964  0.0973153 19.5503      0.85825  20.5929      1.1989   18.4544      1.22916  4.51513  0.132765  4.27052  0.143912  
1 1 1 54 24 7  o 4.1049   0.097644  16.9437      0.801638 15.9324      1.12446  17.9888      1.14315  3.96838  0.141677  4.21881  0.135482  
1 1 1 54 24 8  o 3.89643  0.104342  15.2803      0.813125 14.9499      1.13455  15.6291      1.16596  3.8417   0.147662  3.92774  0.148426  
1 1 1 54 24 9  o 0.826998 0.307431  0.588058     0.678357 -0.160293    0.975964 1.28751      0.943542 0.753203 0.332218  1.1035   0.366203  
1 1 1 54 24 10 o 1.01626  0.308148  1.1104       0.680587 0.945037     0.984673 1.26166      0.941753 1.00687  0.371147  1.09346  0.365856  
1 1 1 54 24 11 o 1.08911  0.302672  1.29825      0.682602 0.977614     0.986299 1.59302      0.945671 1.01453  0.371697  1.19897  0.363172  
1 1 1 54 24 12 o 1.11564  0.307845  1.37199      0.708892 0.851067     1.00963  1.87849      0.995565 0.981873 0.372691  1.28944  0.36788   
1 1 1 54 24 13 o 1.41144  0.269117  2.15906      0.732409 1.82037      1.06929  2.45839      1.00524  1.26663  0.386684  1.47695  0.346009  
1 1 1 54 24 14 o 2.78465  0.140907  7.87135      0.78475  6.91221      1.1325   8.7573       1.08842  2.58225  0.219285  2.92092  0.186316  
1 1 1 54 24 15 o 1.52463  0.243678  2.43317      0.743036 2.4663       1.02119  2.39589      1.08317  1.474    0.350959  1.44409  0.372648  
1 1 1 54 24 16 o 0.819447 0.311311  0.573406     0.704971 -0.40377     0.95936  1.72044      1.0394   0.694903 0.315869  1.22453  0.382757  
1 1 1 54 24 17 o 1.89654  0.20066   3.72957      0.761121 3.75589      1.04697  3.70008      1.10843  1.87204  0.279633  1.84888  0.299758  
1 1 1 54 24 18 o 3.83091  0.131264  14.9438      1.00572  15.8132      1.25705  13.3974      1.67644  3.92372  0.160186  3.55733  0.235632  
1 1 1 54 24 19 o 2.42233  0.165543  6.05807      0.801997 5.63022      1.11408  6.51828      1.15544  2.29422  0.242802  2.47462  0.233458  
1 1 1 54 24 20 o 2.0526   0.201592  4.42844      0.827578 3.12457      1.22815  5.51289      1.12005  1.59559  0.388047  2.26216  0.247563  
1 1 1 54 24 21 o 3.03577  0.148944  9.50225      0.904319 10.4195      1.22403  8.39991      1.34188  3.14552  0.194567  2.78725  0.240717  
1 1 1 54 24 22 f 0.949904 0.347103  1.01593      0.859604 -0.800363    1.22475  2.77933      1.20678  0.705279 0.332112  1.45816  0.40135   
1 1 1 54 24 23 o 1.11391  0.341656  1.56007      0.833442 -0.219639    1.17123  3.38568      1.18624  0.752272 0.34411   1.62263  0.373098  
1 1 1 54 24 24 o 2.16419  0.202047  5.0631       0.874539 4.14104      1.21869  6.04202      1.25571  1.81425  0.348292  2.29296  0.273818  
1 1 1 54 24 25 o 0.873141 0.349884  0.880252     0.927766 0.0429962    1.33507  1.66218      1.2902   0.793411 0.364789  1.0624   0.416893  
1 1 1 54 24 26 o 1.99648  0.264121  4.75205      1.05462  4.19781      1.5498   5.23003      1.43925  1.58409  0.461303  1.91798  0.38876   
1 1 1 54 24 27 o 1.10897  0.360242  1.87491      0.913072 2.37027      1.27344  1.35078      1.30989  1.15089  0.422284  0.93188  0.397651  
1 1 1 54 24 28 o 1.12053  0.372705  2.1362       0.977342 3.58044      1.37253  0.650675     1.39202  1.33978  0.441675  0.787728 0.36614   
1 1 1 54 24 29 o 0.640235 0.303356  -0.135684    1.04392  0.268979     1.49574  -0.520004    1.45766  0.74253  0.35551   0.672099 0.32825   
1 1 1 54 25 0  o 0.325136 0.239306  -1.94884     0.900636 -1.94884     0.900636 -1.94884     0.900636 0.240025 0.178667  ?        ?         
1 1 1 54 25 1  o 1.48997  0.215172  2.27861      0.641199 3.51046      0.908468 1.05581      0.905126 1.84183  0.246622  1.02851  0.35807   
1 1 1 54 25 2  o 2.2882   0.139289  5.294        0.637445 4.92089      0.908734 5.65544      0.894402 2.19141  0.20734   2.35384  0.189988  
1 1 1 54 25 3  o 3.03487  0.093661  9.25694      0.568497 9.23929      0.753849 9.28021      0.86565  3.02609  0.124558  3.02853  0.142916  
1 1 1 54 25 4  o 1.47161  0.226703  2.23028      0.667237 2.29442      0.922638 2.15997      0.966091 1.44446  0.326943  1.39513  0.347201  
1 1 1 54 25 5  o 2.08375  0.156916  4.40479      0.653946 3.54988      0.939925 5.20686      0.910419 1.84932  0.254127  2.255    0.201867  
1 1 1 54 25 6  o 1.50217  0.219199  2.32125      0.658546 2.91632      0.946885 1.76376      0.916507 1.64202  0.299427  1.26158  0.350754  
1 1 1 54 25 7  o 1.26659  0.27188   1.73564      0.668877 1.41199      0.962527 2.03789      0.930172 1.14483  0.369682  1.35391  0.342964  
1 1 1 54 25 8  o 1.60532  0.218168  2.65395      0.700458 3.77605      0.98906  1.52485      0.992141 1.9029   0.259882  1.18104  0.374722  
1 1 1 54 25 9  o 1.9731   0.180392  3.97568      0.711861 4.64003      1.03229  3.37328      0.982971 2.11317  0.244251  1.79304  0.274107  
1 1 1 54 25 10 o 3.34803  0.116179  11.3128      0.777939 11.0133      1.13336  11.5797      1.06974  3.28534  0.172488  3.374    0.158526  
1 1 1 54 25 11 o 1.30311  0.279348  1.85633      0.706997 1.73529      1.02335  1.96684      0.977887 1.2412   0.37816   1.31804  0.36063   
1 1 1 54 25 12 o 1.09248  0.313936  1.3179       0.722462 1.51545      1.0335   1.12912      1.01033  1.17157  0.383262  1.05523  0.377212  
1 1 1 54 25 13 o 1.42846  0.268421  2.21181      0.738641 1.74368      1.06395  2.64736      1.02626  1.24132  0.3871    1.53353  0.343235  
1 1 1 54 25 14 o 2.24048  0.163733  5.12681      0.733681 4.29631      1.01946  6.01912      1.05671  2.02227  0.252058  2.40769  0.219444  
1 1 1 54 25 15 f 2.96851  0.131993  8.94644      0.783647 7.61553      1.0531   10.5979      1.17308  2.71541  0.193911  3.20897  0.182781  
1 1 1 54 25 16 o 1.04361  0.321113  1.21011      0.735441 0.851629     1.0059   1.62182      1.07799  0.967481 0.370603  1.1921   0.391424  
1 1 1 54 25 17 o 3.04156  0.13767   9.43479      0.837465 9.49018      1.13454  9.36849      1.24136  3.0256   0.187491  2.99439  0.207281  
1 1 1 54 25 18 f 2.38865  0.170234  5.89878      0.81326  6.32196      1.13579  5.45354      1.16502  2.43827  0.232908  2.2488   0.259031  
1 1 1 54 25 19 o 2.15184  0.194451  4.84866      0.836855 5.12326      1.21349  4.59963      1.15561  2.15962  0.28095   2.04526  0.28251   
1 1 1 54 25 20 o 2.21953  0.194477  5.17918      0.863297 6.51496      1.26668  4.0205       1.17973  2.44303  0.259244  1.88319  0.313226  
1 1 1 54 25 21 o 2.60702  0.1698    7.10043      0.885343 5.13413      1.29991  8.80171      1.20914  2.11616  0.307139  2.86952  0.210687  
1 1 1 54 25 22 o 0.910283 0.337294  0.934268     0.815219 1.10997      1.18338  0.775574     1.12465  0.991784 0.396067  0.91293  0.377797  
1 1 1 54 25 23 o 1.86403  0.240519  3.86168      0.896668 3.30156      1.24857  4.45824      1.28854  1.56723  0.39756   1.88226  0.355264  
1 1 1 54 25 24 o 0.737224 0.325546  0.199672     0.940841 0.358271     1.34201  0.0463751    1.31938  0.845236 0.379863  0.799253 0.365444  
1 1 1 54 25 25 o 1.24604  0.368287  2.22274      0.980739 2.1471       1.59229  2.26898      1.24491  1.11385  0.453531  1.19     0.419386  
1 1 1 54 25 26 o 0.523286 0.256187  -1.19105     0.902067 -1.5954      1.24536  -0.744723    1.30841  0.595421 0.293247  0.681091 0.327636  
1 1 1 54 25 27 o 1.54644  0.309443  3.27675      0.923267 2.64811      1.27942  3.95981      1.33366  1.17139  0.42391   1.49849  0.425237  
1 1 1 54 25 28 o 0.754393 0.334156  0.625796     1.00165  1.78441      1.43167  -0.485101    1.40188  0.945818 0.409897  0.679452 0.329493  
1 1 1 54 25 29 o 0.758633 0.341102  1.00057      1.08337  3.0611       1.51846  -1.13581     1.54616  1.00746  0.428968  0.606068 0.303034  
1 1 1 54 26 0  o 3.52311  0.138366  12.5397      0.971544 12.5397      0.971544 12.5397      0.971544 3.53216  0.0974147 ?        ?         
1 1 1 54 26 1  o 3.41303  0.0969612 11.7138      0.661862 11.1695      0.907459 12.3325      0.967446 3.32369  0.136514  3.49187  0.138528  
1 1 1 54 26 2  o 3.05728  0.0943542 9.39669      0.576935 8.9816       0.791454 9.86736      0.842781 2.98124  0.132739  3.12426  0.134877  
1 1 1 54 26 3  o 2.87605  0.123433  8.34761      0.710001 9.51681      1.05505  7.37986      0.959871 3.05751  0.172534  2.69081  0.178361  
1 1 1 54 26 4  o 1.89831  0.179049  3.67402      0.679781 2.08259      0.961669 5.26337      0.961042 1.36697  0.350189  2.2631   0.212329  
1 1 1 54 26 5  o 2.99899  0.117904  9.07136      0.707185 10.9271      1.0436   7.49568      0.961643 3.27976  0.159097  2.71129  0.17734   
1 1 1 54 26 6  o 2.0397   0.16827   4.23497      0.686441 5.10946      0.995859 3.44336      0.947493 2.22508  0.22378   1.81656  0.260793  
1 1 1 54 26 7  o 0.828728 0.304398  0.611938     0.661837 0.159165     0.953607 1.03271      0.919294 0.80488  0.341222  1.01858  0.360246  
1 1 1 54 26 8  o 2.68192  0.133224  7.27907      0.714595 6.99991      1.03478  7.53357      0.98802  2.61126  0.198138  2.71447  0.181991  
1 1 1 54 26 9  o 1.84412  0.18659   3.48533      0.688187 3.72857      0.993631 3.26109      0.954061 1.88485  0.263584  1.76037  0.270983  
1 1 1 54 26 10 o 0.781266 0.304025  0.456557     0.683219 0.356089     1.00506  0.542867     0.931558 0.859982 0.356592  0.881465 0.351597  
1 1 1 54 26 11 o 1.11226  0.305783  1.36835      0.701007 1.46422      0.987294 1.27089      0.995504 1.1525   0.374597  1.09407  0.376036  
1 1 1 54 26 12 o 1.67266  0.214317  2.89624      0.71696  3.61778      1.01558  2.17936      1.01229  1.84932  0.274582  1.38282  0.361853  
1 1 1 54 26 13 o 2.0357   0.187005  4.26185      0.761375 4.92952      1.13347  3.71291      1.02777  2.16073  0.262289  1.87043  0.274741  
1 1 1 54 26 14 o 3.83506  0.108298  14.8589      0.83066  15.0303      1.15576  14.6758      1.19467  3.83901  0.150528  3.78992  0.157612  
1 1 1 54 26 15 o 3.23773  0.130596  10.6467      0.845667 12.1898      1.12644  8.65372      1.28016  3.44947  0.163277  2.87713  0.222471  
1 1 1 54 26 16 o 2.76523  0.14482   7.81414      0.800924 7.89608      1.07355  7.71127      1.2028   2.7561   0.194758  2.70827  0.22206   
1 1 1 54 26 17 o 1.25127  0.313287  1.80565      0.782993 -0.378401    1.14269  3.73879      1.07505  0.753143 0.342979  1.84477  0.291376  
1 1 1 54 26 18 o 1.13322  0.331911  1.50333      0.800077 2.60478      1.17135  0.540052     1.09542  1.45253  0.393483  0.894662 0.371705  
1 1 1 54 26 19 o 1.85082  0.220091  3.64673      0.814699 4.32413      1.19766  3.06331      1.11148  1.96061  0.305431  1.59604  0.357185  
1 1 1 54 26 20 o 0.569978 0.267949  -0.646569    0.79074  0.141406     1.15048  -1.35209     1.08863  0.818406 0.360874  0.605922 0.293077  
1 1 1 54 26 21 o 2.05636  0.203164  4.53039      0.835557 2.94757      1.2363   5.86131      1.13367  1.48712  0.404868  2.30277  0.246153  
1 1 1 54 26 22 o 0.721922 0.314108  0.176562     0.847021 1.13184      1.18809  -0.810808    1.20789  0.991358 0.396487  0.688291 0.326213  
1 1 1 54 26 23 f 1.04668  0.362241  1.44174      0.925168 3.01868      1.38713  0.178141     1.24169  1.41491  0.442151  0.808955 0.364371  
1 1 1 54 26 24 f 0.722631 0.31698   0.26296      0.877032 -0.525269    1.25858  1.00703      1.22282  0.705019 0.333596  0.918814 0.387802  
1 1 1 54 26 25 o 0.635634 0.298092  -0.36999     0.961061 -1.54119     1.36664  0.775881     1.35178  0.633429 0.31168   0.875308 0.387892  
1 1 1 54 26 26 o 0.818231 0.340488  0.889415     0.921417 -0.251444    1.31112  2.0027       1.29518  0.703238 0.335772  1.03897  0.414529  
1 1 1 54 26 27 f 0.62671  0.293658  -0.0848085   0.925494 -0.485691    1.29256  0.336935     1.32576  0.655924 0.317623  0.741184 0.348045  
1 1 1 54 26 28 o 0.645788 0.304178  -0.024662    1.02869  -0.813567    1.41554  0.858237     1.49749  0.639346 0.314914  0.790798 0.371081  
1 1 1 54 27 0  o 0.537558 0.348861  0.0569967    0.866186 0.0569967    0.866186 0.0569967    0.866186 0.458955 0.296261  ?        ?         
1 1 1 54 27 1  o 0.980629 0.283275  1.03558      0.58672  1.15157      0.779419 0.883911     0.891282 1.03961  0.332362  0.970479 0.353556  
1 1 1 54 27 2  o 6.60006  0.0796919 43.7363      1.05194  46.9166      1.55528  41.0545      1.42818  6.82124  0.114002  6.38185  0.111894  
1 1 1 54 27 3  o 1.03419  0.300151  1.15924      0.657203 0.10119      0.967267 2.06653      0.895703 0.798256 0.341205  1.36433  0.331134  
1 1 1 54 27 4  f 3.55482  0.110071  12.7365      0.782565 11.9226      1.12002  13.5129      1.09387  3.42302  0.163601  3.64922  0.149878  
1 1 1 54 27 5  o 2.50738  0.137189  6.36575      0.687969 6.23757      1.00469  6.47891      0.944009 2.46357  0.203911  2.516    0.187601  
1 1 1 54 27 6  o 1.71379  0.197644  3.01592      0.67744  2.69693      1.00076  3.28571      0.920367 1.55894  0.330978  1.77206  0.259688  
1 1 1 54 27 7  o 2.27312  0.153922  5.25479      0.699765 4.52308      1.01425  5.91949      0.966697 2.08309  0.243448  2.39844  0.201527  
1 1 1 54 27 8  o 2.25462  0.156561  5.17612      0.705969 4.93933      1.05063  5.37105      0.95324  2.17589  0.241426  2.28088  0.208963  
1 1 1 54 27 9  f 2.05584  0.175811  4.32478      0.72288  4.60748      1.06115  4.07999      0.987442 2.09661  0.253062  1.974    0.250112  
1 1 1 54 27 10 o 0.654212 0.284858  -0.0458647   0.697573 0.531372     1.00934  -0.573701    0.965181 0.899372 0.36305   0.67519  0.310322  
1 1 1 54 27 11 o 1.68866  0.210626  2.94905      0.71135  2.49493      1.00496  3.40506      1.00704  1.48696  0.344414  1.79149  0.281063  
1 1 1 54 27 12 o 0.680703 0.292588  0.0406779    0.718246 -0.495333    1.03362  0.541168     0.998784 0.711332 0.324544  0.894327 0.361092  
1 1 1 54 27 13 o 2.15812  0.172416  4.77921      0.744191 4.43578      1.03461  5.14738      1.07123  2.04953  0.252403  2.21252  0.242084  
1 1 1 54 27 14 o 2.0311   0.18178   4.2525       0.738429 3.4149       1.00609  5.23064      1.08722  1.78298  0.282137  2.22602  0.244207  
1 1 1 54 27 15 o 1.0689   0.335045  1.29618      0.795687 1.35414      1.13941  1.241        1.11165  1.10917  0.400176  1.07644  0.394588  
1 1 1 54 27 16 o 1.09787  0.327925  1.39087      0.774646 0.562586     1.15747  2.06283      1.04255  0.918777 0.381929  1.30827  0.377505  
1 1 1 54 27 17 o 2.62833  0.158584  7.12299      0.833623 7.84646      1.21938  6.48815      1.14224  2.71795  0.22432   2.46682  0.231521  
1 1 1 54 27 18 o 2.63154  0.160326  7.15996      0.843806 7.13983      1.22799  7.17797      1.16143  2.57683  0.238276  2.5944   0.223835  
1 1 1 54 27 19 o 0.799088 0.319624  0.525246     0.772214 1.25567      1.13664  -0.100885    1.05237  1.04776  0.396101  0.751471 0.337091  
1 1 1 54 27 20 o 1.00701  0.333536  1.21676      0.782711 0.3651       1.15209  1.94683      1.06668  0.846661 0.367324  1.22303  0.388594  
1 1 1 54 27 21 o 0.743978 0.321255  0.241471     0.873377 0.0240767    1.26292  0.440739     1.20912  0.808267 0.365579  0.861637 0.3751    
1 1 1 54 27 22 o 1.37149  0.333692  2.37557      0.907878 1.67859      1.32603  2.99056      1.2456   1.10293  0.424713  1.46332  0.409582  
1 1 1 54 27 23 o 1.20729  0.346678  1.96694      0.88133  2.01716      1.28593  1.92246      1.21028  1.14416  0.423689  1.13015  0.411971  
1 1 1 54 27 24 o 2.27712  0.21895   5.8681       0.997151 5.19977      1.46461  6.44555      1.3614   1.89692  0.398684  2.27628  0.299041  
1 1 1 54 27 25 o 0.761761 0.327388  0.551562     0.899065 0.701356     1.29035  0.410227     1.25339  0.836691 0.374342  0.791156 0.36      
1 1 1 54 27 26 o 0.853515 0.343624  1.10217      0.900823 1.25462      1.25814  0.941809     1.29038  0.874947 0.381751  0.82654  0.371916  
1 1 1 54 27 27 o 1.03335  0.37717   1.8888       1.01473  1.42946      1.48478  2.29138      1.39001  0.884414 0.398397  1.03398  0.422829  
1 1 1 54 27 28 o 0.671504 0.315232  0.375271     1.08467  0.258618     1.44497  0.525854     1.64172  0.685854 0.333198  0.715837 0.349375  
1 1 1 54 28 0  o 0.841774 0.429311  1.11386      0.900503 1.11386      0.900503 1.11386      0.900503 0.874528 0.365549  ?        ?         
1 1 1 54 28 1  o 3.06097  0.103688  9.43843      0.634771 9.31361      0.878405 9.57487      0.918328 3.03012  0.144945  3.07093  0.149519  
1 1 1 54 28 2  o 2.70828  0.0983826 7.38382      0.532896 8.29237      0.763366 6.52019      0.744254 2.86213  0.133356  2.53468  0.146814  
1 1 1 54 28 3  o 3.80546  0.102179  14.5876      0.777676 15.2654      1.1407   13.999       1.063    3.87781  0.147081  3.71498  0.14307   
1 1 1 54 28 4  o 3.29549  0.115529  10.9643      0.76145  11.8375      1.12166  10.2179      1.03702  3.40768  0.164579  3.16628  0.163759  
1 1 1 54 28 5  o 2.31557  0.147177  5.44773      0.681599 5.30604      1.01346  5.56475      0.921014 2.26207  0.224011  2.32564  0.198013  
1 1 1 54 28 6  o 1.89506  0.179259  3.67752      0.679415 4.69137      1.00676  2.82964      0.920678 2.1219   0.23723   1.60868  0.297345  
1 1 1 54 28 7  o 2.93598  0.123998  8.71979      0.728109 9.15065      1.08227  8.36354      0.984118 2.98834  0.181082  2.86029  0.172031  
1 1 1 54 28 8  o 2.77459  0.137127  7.80832      0.760939 8.91519      1.12287  6.86833      1.03478  2.94539  0.190615  2.5816   0.200414  
1 1 1 54 28 9  o 1.03018  0.310484  1.16005      0.692342 0.630741     0.976722 1.69459      0.981534 0.914112 0.361461  1.22502  0.369781  
1 1 1 54 28 10 o 3.38333  0.115165  11.5691      0.779283 11.4639      1.1194   11.6681      1.08553  3.34842  0.167153  3.381    0.160534  
1 1 1 54 28 11 o 0.653856 0.285398  -0.0466128   0.703757 -0.0555254   1.00916  -0.0381748   0.981923 0.773102 0.339564  0.766534 0.335825  
1 1 1 54 28 12 o 1.28286  0.273444  1.8123       0.680791 2.21216      0.909429 1.30258      1.02679  1.39649  0.330368  1.09689  0.381424  
1 1 1 54 28 13 o 0.840167 0.325394  0.586287     0.780702 -0.461279    1.08066  1.72987      1.12909  0.728883 0.332362  1.22105  0.400596  
1 1 1 54 28 14 o 1.8635   0.213124  3.64122      0.794313 3.28847      1.16938  3.94339      1.08232  1.67723  0.359015  1.90545  0.284007  
1 1 1 54 28 15 o 1.87161  0.218381  3.69797      0.81745  3.73415      1.19259  3.6659       1.12267  1.79174  0.345119  1.78776  0.326078  
1 1 1 54 28 16 f 3.24094  0.138956  10.7547      0.900697 11.5437      1.28882  10.0014      1.25925  3.32119  0.19403   3.08403  0.204156  
1 1 1 54 28 17 o 2.14368  0.185832  4.80413      0.796727 5.701        1.17653  4.04449      1.08278  2.28995  0.25689   1.9124   0.283095  
1 1 1 54 28 18 o 1.7717   0.222743  3.36766      0.789264 3.63505      1.16285  3.13927      1.07472  1.74175  0.346113  1.61716  0.342735  
1 1 1 54 28 19 o 1.82078  0.233647  3.61242      0.850839 3.64109      1.19692  3.58313      1.20972  1.71309  0.360683  1.69216  0.367735  
1 1 1 54 28 20 o 0.981875 0.343753  1.16942      0.835176 1.01504      1.21773  1.30654      1.14762  0.972212 0.396363  1.03132  0.395621  
1 1 1 54 28 21 o 0.570403 0.271055  -0.720388    0.838864 -1.61294     1.18079  0.189134     1.19196  0.601418 0.294126  0.810913 0.361376  
1 1 1 54 28 22 o 1.59924  0.295832  3.12818      0.910598 1.64168      1.3218   4.47091      1.25626  1.06552  0.420757  1.85199  0.351876  
1 1 1 54 28 23 o 0.840661 0.335257  0.83353      0.846838 0.960641     1.17601  0.696632     1.22044  0.897291 0.37959   0.855041 0.3745    
1 1 1 54 28 24 o 0.794832 0.338968  0.622459     0.950801 -0.108331    1.39069  1.26387      1.30287  0.761331 0.357317  0.945735 0.399785  
1 1 1 54 28 25 o 0.733173 0.321358  0.519745     0.900011 1.30137      1.29356  -0.213658    1.25302  0.894477 0.388664  0.690298 0.329273  
1 1 1 54 28 26 o 0.655847 0.302941  0.0883423    0.933972 -0.11108     1.34954  0.271656     1.29389  0.702862 0.336799  0.734471 0.344701  
1 1 1 54 28 27 o 0.794511 0.351555  1.07049      1.10473  1.25025      1.50053  0.857752     1.63244  0.80782  0.377276  0.770923 0.369656  
1 1 1 54 29 0  o 2.77214  0.175907  7.86438      0.966276 7.86438      0.966276 7.86438      0.966276 2.78847  0.123061  ?        ?         
1 1 1 54 29 1  o 2.78106  0.112984  7.80807      0.628432 6.56088      0.852421 9.29302      0.930128 2.53487  0.168139  3.0219   0.153898  
1 1 1 54 29 2  o 2.32059  0.113664  5.43722      0.527535 5.61152      0.697686 5.20454      0.806098 2.34961  0.148469  2.2546   0.178767  
1 1 1 54 29 3  o 1.08474  0.294368  1.29584      0.654854 0.714108     0.976886 1.77058      0.882497 0.935976 0.363681  1.2546   0.342286  
1 1 1 54 29 4  o 3.91179  0.10453   15.4281      0.817802 17.794       1.22046  13.5002      1.10173  4.18489  0.145817  3.643    0.151212  
1 1 1 54 29 5  o 2.0191   0.173942  4.17021      0.702412 4.26785      1.03515  4.08689      0.956255 2.01609  0.256722  1.97824  0.241693  
1 1 1 54 29 6  o 2.38481  0.149957  5.78484      0.715238 6.18648      1.04807  5.43474      0.978506 2.44474  0.214353  2.29171  0.213488  
1 1 1 54 29 7  o 3.17059  0.122995  10.1695      0.779935 10.0754      1.13448  10.2539      1.07399  3.13492  0.180943  3.16732  0.169542  
1 1 1 54 29 8  o 3.66558  0.120411  13.5921      0.882749 15.299       1.22759  11.7643      1.2703   3.87274  0.158491  3.38261  0.187769  
1 1 1 54 29 9  o 1.22757  0.288209  1.67167      0.696261 0.889843     0.993772 2.42547      0.975797 0.97949  0.370347  1.46159  0.339931  
1 1 1 54 29 10 o 0.804362 0.307903  0.536506     0.693923 0.150552     1.03565  0.850942     0.934789 0.819837 0.351829  0.955603 0.359765  
1 1 1 54 29 11 o 4.56823  0.112418  21.1069      1.0271   19.4946      1.44044  22.7746      1.46496  4.36178  0.16512   4.72113  0.15515   
1 1 1 54 29 12 o 0.969459 0.335992  0.99878      0.796184 0.695433     1.11671  1.3124       1.13547  0.948664 0.382317  1.10231  0.399308  
1 1 1 54 29 13 o 0.733891 0.30976   0.199701     0.780212 0.102743     1.15247  0.281738     1.06008  0.835301 0.364902  0.841124 0.35829   
1 1 1 54 29 14 o 0.7872   0.317173  0.440564     0.768323 0.88244      1.1299   0.0605211    1.04787  0.980433 0.388429  0.791996 0.34695   
1 1 1 54 29 15 o 2.36474  0.169197  5.79086      0.800213 4.81066      1.18652  6.60867      1.08379  2.09128  0.283683  2.49878  0.216863  
1 1 1 54 29 16 o 2.70714  0.148809  7.54272      0.805694 6.82284      1.19143  8.14932      1.09368  2.52046  0.236351  2.78445  0.196391  
1 1 1 54 29 17 o 1.76422  0.218456  3.33         0.770807 3.40505      1.15036  3.26884      1.03839  1.67736  0.353923  1.66756  0.322875  
1 1 1 54 29 18 o 1.28175  0.326678  1.99343      0.840079 1.83409      1.19617  2.14852      1.1801   1.1843   0.411697  1.27359  0.409145  
1 1 1 54 29 19 f 1.12444  0.343373  1.592        0.843093 1.42367      1.20146  1.7553       1.18337  1.06253  0.405605  1.1461   0.408385  
1 1 1 54 29 20 o 1.44343  0.300403  2.50294      0.838546 2.31302      1.19138  2.68939      1.18046  1.2892   0.410789  1.40299  0.400687  
1 1 1 54 29 21 o 0.923563 0.343753  1.05309      0.848638 0.970374     1.1621   1.1476       1.24222  0.926192 0.383706  0.968182 0.398452  
1 1 1 54 29 22 o 0.746559 0.318913  0.429869     0.844104 -0.233218    1.19134  1.09834      1.19616  0.71965  0.336125  0.930312 0.387588  
1 1 1 54 29 23 o 1.01308  0.359044  1.47086      0.913594 0.746498     1.35434  2.0757       1.23758  0.869207 0.38634   1.13037  0.416145  
1 1 1 54 29 24 o 0.75337  0.328623  0.57672      0.931826 -0.0190569   1.36314  1.09934      1.27671  0.734729 0.347429  0.871906 0.382453  
1 1 1 54 29 25 o 0.776428 0.332643  0.798882     0.923069 -0.438767    1.38143  1.79722      1.24071  0.675581 0.327449  0.962262 0.397427  
1 1 1 54 29 26 o 0.607067 0.291239  -0.383591    1.0166   0.234212     1.38486  -1.10556     1.49707  0.728553 0.347184  0.638615 0.315952  
1 1 1 54 30 0  o 4.97881  0.117261  24.9593      1.16618  24.9593      1.16618  24.9593      1.16618  4.98737  0.0827213 ?        ?         
1 1 1 54 30 1  o 3.63925  0.0957    13.3366      0.696553 12.8394      0.991451 13.8213      0.978819 3.55693  0.139369  3.69301  0.132523  
1 1 1 54 30 2  o 3.73248  0.0974193 14.0324      0.727232 14.9243      1.0083   13.0655      1.04988  3.83795  0.131359  3.58534  0.146413  
1 1 1 54 30 3  o 4.01708  0.0999344 16.2604      0.802889 16.5789      1.19421  15.9977      1.0846   4.03799  0.147872  3.9714   0.136552  
1 1 1 54 30 4  o 3.34372  0.119941  11.3042      0.8021   10.1168      1.14603  12.4444      1.123    3.14067  0.18245   3.49307  0.160747  
1 1 1 54 30 5  o 2.28818  0.164301  5.34682      0.751902 6.15469      1.08631  4.60381      1.04179  2.43367  0.223183  2.09535  0.248596  
1 1 1 54 30 6  o 1.25659  0.292168  1.74939      0.721014 1.92497      1.02942  1.58031      1.01019  1.29452  0.375634  1.18478  0.37834   
1 1 1 54 30 7  o 2.61672  0.145745  6.97313      0.76275  6.69754      1.09892  7.22932      1.05954  2.53716  0.216565  2.64335  0.200416  
1 1 1 54 30 8  o 2.32771  0.156004  5.53405      0.726268 4.90834      1.04372  6.12142      1.01124  2.16088  0.241505  2.4284   0.208212  
1 1 1 54 30 9  o 1.68395  0.209988  2.94631      0.707218 2.74008      1.02141  3.13623      0.980175 1.55326  0.33821   1.68368  0.302036  
1 1 1 54 30 10 o 1.32476  0.288261  1.95707      0.742462 0.414508     1.12992  3.12919      0.984945 0.895266 0.375074  1.6756   0.305205  
1 1 1 54 30 11 o 1.99022  0.186149  4.10466      0.740954 2.73362      1.10416  5.22785      0.999389 1.52363  0.366315  2.22877  0.224202  
1 1 1 54 30 12 o 1.13747  0.314725  1.4876       0.739704 1.29396      1.11104  1.64176      0.991359 1.08316  0.39473   1.17884  0.37463   
1 1 1 54 30 13 o 0.807521 0.314896  0.552037     0.733737 0.745717     1.15092  0.419419     0.952369 0.952128 0.386303  0.834324 0.346608  
1 1 1 54 30 14 o 1.04921  0.313716  1.26804      0.708723 1.19212      1.13674  1.31632      0.906473 1.05022  0.396385  1.06678  0.358937  
1 1 1 54 30 15 o 1.73372  0.216143  3.19273      0.749463 1.42987      1.11751  4.63379      1.01037  1.10328  0.396484  2.07184  0.243835  
1 1 1 54 30 16 f 0.824177 0.326099  0.594753     0.795413 0.313843     1.10755  0.893962     1.14306  0.839427 0.362111  0.964409 0.38757   
1 1 1 54 30 17 o 1.88254  0.238734  3.87189      0.89885  3.29822      1.27599  4.43698      1.2664   1.59099  0.400894  1.91467  0.343137  
1 1 1 54 30 18 o 2.2724   0.193727  5.51799      0.880453 7.66967      1.25602  3.4392       1.23456  2.63607  0.238236  1.62351  0.385458  
1 1 1 54 30 19 o 1.23874  0.330786  1.9238       0.835225 2.69178      1.19236  1.18396      1.17032  1.40216  0.403434  0.998346 0.395382  
1 1 1 54 30 20 o 0.719305 0.309915  0.272543     0.809391 0.596724     1.12723  -0.0724811   1.16291  0.85211  0.366414  0.752394 0.343632  
1 1 1 54 30 21 o 0.702051 0.305603  0.256463     0.802462 0.788265     1.1347   -0.275632    1.13501  0.868978 0.370435  0.703523 0.328394  
1 1 1 54 30 22 o 1.15153  0.345398  1.84796      0.858186 2.71195      1.19797  0.937156     1.22998  1.3179   0.410711  0.892527 0.383236  
1 1 1 54 30 23 o 0.844242 0.345886  0.942085     0.931898 -0.0721042   1.33616  1.90267      1.30037  0.737474 0.347161  1.0401   0.415239  
1 1 1 54 30 24 o 0.679354 0.308568  0.248015     0.911726 -0.063038    1.3054   0.544245     1.27392  0.705197 0.336309  0.770419 0.355078  
1 1 1 54 30 25 o 0.866272 0.362533  1.21912      1.05379  1.53512      1.49788  0.909446     1.48281  0.899883 0.40295   0.821745 0.380387  
1 1 1 54 30 26 o 1.08103  0.40368   2.68496      1.17222  2.8735       1.66058  2.4977       1.65498  0.941059 0.422756  0.896905 0.409759  
1 1 1 54 31 0  o 3.10459  0.150375  9.79443      0.928714 9.79443      0.928714 9.79443      0.928714 3.1172   0.10561   ?        ?         
1 1 1 54 31 1  f 2.4058   0.124412  5.86151      0.59862  5.08459      0.834921 6.68339      0.858733 2.22296  0.187795  2.55579  0.167998  
1 1 1 54 31 2  o 0.666025 0.285615  0.0444804    0.68165  0.198736     1.01199  -0.0836281   0.922245 0.824156 0.350535  0.737744 0.324319  
1 1 1 54 31 3  o 5.43169  0.104043  29.7745      1.13026  30.4518      1.61833  29.1294      1.57924  5.46785  0.147986  5.34803  0.147647  
1 1 1 54 31 4  o 1.23483  0.295312  1.70008      0.720556 2.4813       1.03027  0.952065     1.00813  1.47062  0.354019  0.997837 0.374016  
1 1 1 54 31 5  o 1.63682  0.217729  2.79054      0.712766 4.17628      1.02665  1.50107      0.99034  1.98637  0.258423  1.15508  0.375175  
1 1 1 54 31 6  o 2.52148  0.146823  6.47863      0.740421 5.17901      1.05237  7.75261      1.04194  2.22145  0.236866  2.74103  0.190063  
1 1 1 54 31 7  o 3.62074  0.113353  13.2607      0.82084  14.2507      1.17641  12.3214      1.14588  3.73361  0.157543  3.46791  0.165212  
1 1 1 54 31 8  o 2.52044  0.152301  6.49374      0.767731 7.33989      1.22335  5.94397      0.986088 2.64243  0.231481  2.38992  0.206301  
1 1 1 54 31 9  f 1.71541  0.221604  3.09156      0.760283 2.61057      1.21449  3.40154      0.974954 1.47084  0.401656  1.77707  0.274315  
1 1 1 54 31 10 o 0.902927 0.325949  0.828121     0.756013 -0.0473492   1.12075  1.5591       1.0241   0.800067 0.354044  1.15604  0.381516  
1 1 1 54 31 11 o 0.844153 0.327265  0.62382      0.790123 0.544639     1.09949  0.708377     1.13621  0.901028 0.373251  0.943475 0.383462  
1 1 1 54 31 12 o 0.603356 0.279206  -0.492202    0.79806  -0.72561     1.08377  -0.215716    1.17955  0.682819 0.31956   0.785287 0.354345  
1 1 1 54 31 13 o 2.25652  0.189211  5.32301      0.853916 5.12324      1.22415  5.51234      1.19174  2.1556   0.283947  2.24958  0.26488   
1 1 1 54 31 14 o 1.52138  0.277148  2.61135      0.812079 2.24393      1.14802  2.97932      1.14888  1.33427  0.399344  1.55948  0.372856  
1 1 1 54 31 15 f 2.45927  0.180893  6.3441       0.889728 4.9871       1.26904  7.65597      1.24776  2.09469  0.302918  2.66018  0.234525  
1 1 1 54 31 16 o 2.36809  0.1855    5.92397      0.87856  5.72978      1.21781  6.13472      1.26869  2.26207  0.269181  2.33872  0.271236  
1 1 1 54 31 17 o 0.595339 0.277508  -0.470404    0.806938 0.0946014    1.1553   -1.00861     1.12757  0.794471 0.354864  0.64446  0.308583  
1 1 1 54 31 18 f 1.79036  0.231202  3.53455      0.827866 2.93255      1.13427  4.22082      1.21106  1.49298  0.379046  1.84604  0.340822  
1 1 1 54 31 19 o 1.06925  0.340584  1.48493      0.819015 1.25947      1.1351   1.72978      1.1829   0.993542 0.390678  1.10784  0.406946  
1 1 1 54 31 20 o 0.816147 0.327995  0.720482     0.818684 2.54737      1.14448  -1.194       1.17159  1.31132  0.399992  0.617942 0.300149  
1 1 1 54 31 21 o 0.735988 0.312875  0.439016     0.805498 1.89467      1.12205  -1.10887     1.15705  1.10998  0.397448  0.614751 0.2985    
1 1 1 54 31 22 o 2.12278  0.224421  5.20448      0.952794 5.22891      1.37967  5.1822       1.31739  1.91048  0.37443   1.93344  0.353858  
1 1 1 54 31 23 o 0.6511   0.299945  0.0494335    0.907652 -0.884824    1.315    0.899528     1.25437  0.637802 0.311564  0.824617 0.369009  
1 1 1 54 31 24 o 0.564059 0.275057  -0.862272    1.00951  -1.56531     1.40005  -0.100881    1.45699  0.601942 0.299219  0.719089 0.345871  
1 1 1 54 31 25 o 0.60299  0.293521  -0.503891    1.13109  -1.00512     1.59189  0.00716549   1.60741  0.637284 0.317101  0.702267 0.343382  
1 1 1 54 32 0  o 3.3851   0.140521  11.6169      0.947628 11.6169      0.947628 11.6169      0.947628 3.39679  0.0988228 ?        ?         
1 1 1 54 32 1  o 1.73315  0.166771  3.07744      0.578078 2.65767      0.797234 3.54284      0.83945  1.58664  0.251234  1.84048  0.228052  
1 1 1 54 32 2  o 2.22177  0.163882  5.05328      0.728215 4.49269      1.0555   5.56253      1.00599  2.06067  0.256106  2.31057  0.217693  
1 1 1 54 32 3  o 4.81419  0.0954163 23.3631      0.918704 22.9452      1.29181  23.7907      1.30681  4.7513   0.135943  4.83857  0.135041  
1 1 1 54 32 4  o 2.75172  0.138997  7.7048       0.764961 7.73323      1.08997  7.6772       1.07385  2.73187  0.199492  2.72305  0.197177  
1 1 1 54 32 5  o 1.99901  0.18454   4.12462      0.737794 4.05098      1.04969  4.19652      1.03722  1.94707  0.269557  1.98564  0.26118   
1 1 1 54 32 6  f 4.10714  0.120288  17.1112      0.988082 13.6622      1.37252  20.8216      1.4236   3.63273  0.188911  4.50787  0.157901  
1 1 1 54 32 7  o 1.28085  0.297209  1.85258      0.747297 2.03882      1.17412  1.72576      0.968883 1.30236  0.406749  1.21426  0.367562  
1 1 1 54 32 8  o 2.85526  0.141365  8.33183      0.807269 6.20778      1.27084  9.7687       1.04524  2.40045  0.264708  3.07689  0.169854  
1 1 1 54 32 9  o 1.83144  0.226326  3.55293      0.829007 4.17413      1.16344  2.91223      1.18156  1.94474  0.299124  1.55268  0.382489  
1 1 1 54 32 10 o 2.90064  0.149605  8.64253      0.867901 7.27468      1.2145   10.0701      1.24072  2.61325  0.232373  3.0992   0.200167  
1 1 1 54 32 11 o 0.99772  0.341435  1.11622      0.820227 1.02435      1.1112   1.22618      1.21579  1.00555  0.388463  1.06739  0.407855  
1 1 1 54 32 12 o 1.93211  0.221894  3.97221      0.85745  2.32965      1.22567  5.54662      1.19997  1.35525  0.414046  2.25308  0.266296  
1 1 1 54 32 13 o 0.953179 0.344057  0.995293     0.842332 1.8234       1.30129  0.398076     1.10509  1.20355  0.42831   0.858683 0.365794  
1 1 1 54 32 14 o 0.763234 0.317423  0.361521     0.800105 0.731313     1.1714   0.0381255    1.09545  0.931015 0.385443  0.785163 0.348407  
1 1 1 54 32 15 o 0.632101 0.288734  -0.301797    0.821353 -0.330505    1.15425  -0.272348    1.16903  0.739406 0.339635  0.751773 0.343842  
1 1 1 54 32 16 o 0.673261 0.297742  0.0149085    0.79096  -0.545323    1.10138  0.611571     1.13663  0.688415 0.322173  0.88011  0.372793  
1 1 1 54 32 17 o 1.84876  0.222617  3.74379      0.823131 3.38233      1.15265  4.11995      1.17587  1.62434  0.363894  1.83021  0.333595  
1 1 1 54 32 18 o 0.969768 0.336676  1.18546      0.799719 1.39588      1.09121  0.941299     1.17543  1.02714  0.388163  0.928757 0.385404  
1 1 1 54 32 19 o 1.83016  0.234449  3.81089      0.858155 2.79403      1.18257  4.94199      1.24724  1.37545  0.403738  1.99272  0.312948  
1 1 1 54 32 20 o 0.688219 0.303369  0.202441     0.81212  -0.143011    1.12304  0.581109     1.17579  0.71126  0.329931  0.828349 0.365097  
1 1 1 54 32 21 o 0.709225 0.310063  0.314591     0.83342  -0.354798    1.16613  1.01347      1.19154  0.687209 0.323739  0.893146 0.380135  
1 1 1 54 32 22 o 0.755227 0.326134  0.631298     0.900222 1.17593      1.28097  0.0998448    1.26538  0.874752 0.3834    0.726084 0.340786  
1 1 1 54 32 23 o 0.618132 0.292802  -0.24588     0.971955 -1.42658     1.34761  1.03419      1.40318  0.597791 0.296661  0.832402 0.379339  
1 1 1 54 32 24 o 0.948409 0.375873  1.69034      1.05838  0.972697     1.53572  2.33953      1.46064  0.806042 0.377793  0.995334 0.422151  
1 1 1 54 33 0  o 2.44927  0.198064  6.22963      0.955629 6.22963      0.955629 6.22963      0.955629 2.47315  0.137587  ?        ?         
1 1 1 54 33 1  o 4.20808  0.104661  17.9023      0.880842 18.4652      1.173    17.1743      1.33383  4.25709  0.137771  4.09043  0.163043  
1 1 1 54 33 2  o 4.66243  0.0953366 21.939       0.889001 23.7135      1.34205  20.5515      1.18671  4.8228   0.139136  4.49405  0.132031  
1 1 1 54 33 3  o 1.22502  0.293141  1.69168      0.709672 2.23203      1.03052  1.20427      0.978735 1.37593  0.367433  1.05276  0.371773  
1 1 1 54 33 4  o 1.79436  0.209346  3.36899      0.751282 2.68432      1.14233  3.89088      0.997322 1.50059  0.380038  1.90485  0.261785  
1 1 1 54 33 5  o 2.05042  0.189135  4.36839      0.77561  4.98445      1.21226  3.94142      1.00921  2.14075  0.283139  1.91391  0.26365   
1 1 1 54 33 6  o 2.99149  0.138725  9.14408      0.829988 9.69388      1.32897  8.7925       1.06273  3.03174  0.219176  2.91053  0.182566  
1 1 1 54 33 7  o 1.31598  0.290753  1.96348      0.744801 0.77025      1.21288  2.68582      0.943685 0.972046 0.395815  1.52844  0.319119  
1 1 1 54 33 8  o 1.28749  0.329013  1.9417       0.850445 1.56778      1.23515  2.27876      1.1727   1.15674  0.416718  1.35713  0.403092  
1 1 1 54 33 9  o 2.182    0.203343  5.00535      0.887388 5.01289      1.25086  4.9977       1.25909  2.12787  0.293924  2.12279  0.296565  
1 1 1 54 33 10 o 2.50102  0.17803   6.50861      0.890514 5.55463      1.26486  7.44623      1.25397  2.24529  0.281669  2.63471  0.237971  
1 1 1 54 33 11 o 1.33402  0.326697  2.10345      0.865881 2.36767      1.28985  1.8867       1.16824  1.35381  0.427027  1.22824  0.407482  
1 1 1 54 33 12 o 1.09547  0.344603  1.44103      0.840733 1.18789      1.22273  1.66804      1.15787  1.04177  0.406448  1.15818  0.40482   
1 1 1 54 33 13 o 0.587301 0.27443   -0.532687    0.79524  -1.69937     1.1708   0.466583     1.08354  0.601661 0.293926  0.856626 0.363472  
1 1 1 54 33 14 o 1.29726  0.315855  2.03502      0.812969 3.19505      1.1589   0.91106      1.14074  1.58516  0.371614  0.948787 0.384737  
1 1 1 54 33 15 o 0.604612 0.278603  -0.348512    0.783759 0.694116     1.10406  -1.4077      1.1128   0.890205 0.371718  0.600157 0.291828  
1 1 1 54 33 16 o 2.43294  0.174653  6.26822      0.849838 5.61778      1.17475  6.98234      1.23092  2.22514  0.263974  2.50011  0.246173  
1 1 1 54 33 17 o 1.3076   0.308828  2.12585      0.795736 2.52135      1.11338  1.71289      1.1377   1.34482  0.39079   1.10616  0.399798  
1 1 1 54 33 18 o 2.12584  0.202404  4.9827       0.860558 5.64577      1.17441  4.21384      1.26462  2.18762  0.26842   1.75983  0.370907  
1 1 1 54 33 19 o 0.868857 0.333739  0.95031      0.817558 2.6808       1.1463   -0.841291    1.16636  1.33182  0.399131  0.643186 0.309386  
1 1 1 54 33 20 o 1.06095  0.343992  1.59044      0.832784 1.21313      1.15217  2.00321      1.20508  0.933433 0.383875  1.1108   0.410391  
1 1 1 54 33 21 o 0.701236 0.309648  0.381454     0.851132 0.592752     1.23149  0.188222     1.17767  0.787823 0.358044  0.727054 0.33749   
1 1 1 54 33 22 o 0.831738 0.348457  1.06197      0.975235 0.852457     1.29564  1.33584      1.48132  0.802816 0.365496  0.868505 0.394172  
1 1 1 54 33 23 o 0.626947 0.298575  -0.230728    1.02278  -1.60823     1.37541  1.47319      1.52972  0.588369 0.293038  0.876937 0.398679  
1 1 1 54 33 24 o 0.822551 0.352657  1.34739      1.0388   1.80029      1.72409  1.08926      1.30158  0.817527 0.388537  0.762772 0.35435   
1 1 1 54 34 0  o 0.795097 0.414145  1.02853      0.848589 1.02853      0.848589 1.02853      0.848589 0.827833 0.355886  ?        ?         
1 1 1 54 34 1  o 1.74766  0.174697  3.16049      0.610622 2.61042      0.776516 4.05176      0.988434 1.56143  0.248656  1.94229  0.254451  
1 1 1 54 34 2  o 2.48637  0.146471  6.33426      0.728364 6.28019      1.13146  6.37253      0.951808 2.43143  0.232673  2.47222  0.192501  
1 1 1 54 34 3  o 3.33176  0.118264  11.2811      0.788057 10.6457      1.21105  11.7478      1.03785  3.19673  0.18942   3.38149  0.153461  
1 1 1 54 34 4  o 0.760584 0.31146   0.354776     0.755259 -0.265659    1.22745  0.732797     0.958103 0.794764 0.359891  0.910936 0.358696  
1 1 1 54 34 5  o 0.75508  0.311432  0.330195     0.760519 1.07448      1.22399  -0.137849    0.970623 1.03692  0.406226  0.730165 0.325727  
1 1 1 54 34 6  o 2.1584   0.181941  4.84827      0.7854   4.64982      1.23734  4.98217      1.01641  2.04464  0.302581  2.15998  0.235283  
1 1 1 54 34 7  o 1.70004  0.23884   3.0959       0.812072 3.46115      1.18416  2.77162      1.11577  1.70621  0.358401  1.51336  0.371002  
1 1 1 54 34 8  o 2.1277   0.203222  4.76689      0.864791 4.95833      1.24317  4.58739      1.20378  2.11211  0.294295  2.03004  0.296493  
1 1 1 54 34 9  o 2.61798  0.167136  7.10949      0.875116 6.48289      1.2084   7.80053      1.26902  2.44809  0.246805  2.69452  0.235482  
1 1 1 54 34 10 o 0.548887 0.262124  -0.851634    0.799997 -2.76798     1.18301  0.763145     1.08595  0.533872 0.266715  0.928727 0.375884  
1 1 1 54 34 11 o 1.6279   0.246253  2.89449      0.801751 3.12986      1.12146  2.64842      1.14665  1.59687  0.359772  1.442    0.388723  
1 1 1 54 34 12 o 2.57323  0.164765  6.9137       0.847953 6.13757      1.17127  7.7685       1.2292   2.3611   0.248035  2.67371  0.229867  
1 1 1 54 34 13 o 0.704682 0.305836  0.148062     0.799197 -0.453512    1.15963  0.692285     1.10297  0.719743 0.334403  0.892856 0.372096  
1 1 1 54 34 14 o 0.881607 0.332637  0.855883     0.800292 0.899234     1.1351   0.813035     1.12849  0.936466 0.382382  0.917688 0.379024  
1 1 1 54 34 15 o 3.21962  0.139822  10.761       0.900346 9.9783       1.26058  11.576       1.28637  3.03356  0.207773  3.28148  0.196005  
1 1 1 54 34 16 o 0.851943 0.32643   0.821544     0.780559 0.0682276    1.09534  1.59882      1.11262  0.755563 0.341169  1.07389  0.394652  
1 1 1 54 34 17 o 0.690907 0.30362   0.185669     0.807683 1.34722      1.1237   -1.05583     1.16172  0.989544 0.388837  0.627524 0.303392  
1 1 1 54 34 18 o 0.618647 0.283874  -0.169395    0.804062 -0.633675    1.13037  0.306142     1.14399  0.654811 0.31244   0.779201 0.350423  
1 1 1 54 34 19 o 0.782357 0.323476  0.644774     0.823345 -0.152998    1.133    1.5375       1.19853  0.705664 0.328893  1.00269  0.399167  
1 1 1 54 34 20 o 1.29753  0.34524   2.49374      0.911858 1.55056      1.23772  3.61334      1.34852  0.950197 0.394965  1.41337  0.43481   
1 1 1 54 34 21 o 0.687642 0.312929  0.283254     0.947562 -0.766383    1.28894  1.51764      1.39778  0.634332 0.30959   0.902068 0.397768  
1 1 1 54 34 22 o 0.830494 0.352674  1.05702      1.02151  1.70996      1.39876  0.310812     1.49534  0.927174 0.403535  0.755932 0.360372  
1 1 1 54 34 23 o 0.667804 0.308405  0.427205     0.967363 2.53412      1.45405  -1.24584     1.29572  0.942264 0.410767  0.563409 0.281139  
1 1 1 54 35 0  o 1.23091  0.410281  2.06955      0.897071 2.06955      0.897071 2.06955      0.897071 1.34531  0.265327  ?        ?         
1 1 1 54 35 1  o 0.680893 0.274511  0.299437     0.576038 1.10441      0.73086  -1.02068     0.935942 0.988874 0.322299  0.590479 0.282353  
1 1 1 54 35 2  o 1.96315  0.191795  4.02943      0.753043 4.27921      1.29918  3.90305      0.924114 1.90764  0.353793  1.90763  0.242216  
1 1 1 54 35 3  o 2.06114  0.183919  4.42722      0.758165 4.09062      1.20402  4.64838      0.975954 1.90765  0.315578  2.08608  0.23392   
1 1 1 54 35 4  o 2.35534  0.164755  5.73666      0.776108 5.16125      1.21213  6.13646      1.01037  2.1677   0.279589  2.41148  0.209493  
1 1 1 54 35 5  o 0.531905 0.252719  -0.753404    0.728939 -1.10406     1.1187   -0.494674    0.960941 0.649363 0.310074  0.667328 0.307878  
1 1 1 54 35 6  o 2.0442   0.178431  4.35342      0.729499 4.05723      1.17071  4.54143      0.932719 1.89883  0.308271  2.0627   0.226092  
1 1 1 54 35 7  o 0.624286 0.28538   -0.358566    0.804089 -0.389742    1.12675  -0.326211    1.14785  0.737252 0.337354  0.752882 0.343099  
1 1 1 54 35 8  o 2.31562  0.188125  5.63321      0.871253 6.26727      1.24445  5.02363      1.22018  2.39056  0.260284  2.11954  0.287842  
1 1 1 54 35 9  o 1.5234   0.277576  2.64528      0.814403 1.70924      1.16154  3.55039      1.14218  1.16415  0.405598  1.7185   0.344468  
1 1 1 54 35 10 o 0.877818 0.328567  0.809956     0.777473 -0.0881246   1.09998  1.70651      1.09904  0.761959 0.34309   1.15676  0.395229  
1 1 1 54 35 11 o 1.87036  0.215889  3.77865      0.80758  3.47558      1.11631  4.11143      1.16975  1.68291  0.343547  1.87609  0.311752  
1 1 1 54 35 12 o 0.641112 0.290813  -0.182479    0.80487  -0.869711    1.11397  0.568134     1.16421  0.6544   0.311626  0.877042 0.374589  
1 1 1 54 35 13 o 2.68936  0.165467  7.60947      0.889998 6.75357      1.29935  8.36593      1.22155  2.44018  0.26624   2.76761  0.220686  
1 1 1 54 35 14 o 2.37773  0.182394  6.03144      0.867369 6.57925      1.22616  5.48276      1.22713  2.41294  0.25408   2.17361  0.28228   
1 1 1 54 35 15 o 0.796408 0.322067  0.620757     0.796335 -0.18248     1.12673  1.42244      1.12564  0.724896 0.334036  1.02382  0.392083  
1 1 1 54 35 16 o 1.33875  0.301648  2.2617       0.788304 1.99968      1.10533  2.53292      1.12459  1.1583   0.396357  1.31085  0.395835  
1 1 1 54 35 17 o 1.28457  0.319514  2.17551      0.81849  2.47783      1.13699  1.85033      1.17921  1.27269  0.400823  1.09113  0.405392  
1 1 1 54 35 18 o 1.52548  0.288078  2.92397      0.84683  1.64312      1.17989  4.28469      1.21613  1.02706  0.399561  1.76215  0.357525  
1 1 1 54 35 19 o 0.514622 0.251618  -1.00109     0.862811 -0.716698    1.1614   -1.35138     1.28894  0.626328 0.302907  0.604644 0.297781  
1 1 1 54 35 20 o 0.60682  0.286097  -0.238827    0.914253 -0.0335262   1.29281  -0.444218    1.29309  0.702975 0.335115  0.663569 0.320693  
1 1 1 54 35 21 o 0.834628 0.339088  1.04679      0.888107 0.33312      1.31773  1.64076      1.20216  0.744469 0.349117  0.941065 0.390089  
1 1 1 54 35 22 o 0.519954 0.255257  -0.807229    0.907795 -1.47282     1.28432  -0.142688    1.28331  0.553757 0.276827  0.646998 0.314222  
1 1 1 54 36 0  o 0.725536 0.412096  0.837058     0.914915 0.837058     0.914915 0.837058     0.914915 0.720931 0.364734  ?        ?         
1 1 1 54 36 1  o 2.14367  0.144803  4.72285      0.620819 5.07457      0.784073 4.13182      1.01641  2.20686  0.177644  1.94639  0.261101  
1 1 1 54 36 2  o 1.26135  0.310313  1.8571       0.778494 3.18541      1.29411  1.10379      0.974553 1.58955  0.405655  1.00276  0.369273  
1 1 1 54 36 3  f 2.45502  0.15992   6.23522      0.785212 5.19976      1.23171  6.94414      1.01916  2.16457  0.284516  2.56748  0.198474  
1 1 1 54 36 4  o 1.19513  0.309936  1.675        0.746911 2.91346      1.16488  0.810368     0.973324 1.53282  0.381122  0.921366 0.361937  
1 1 1 54 36 5  o 2.47161  0.163507  6.34175      0.808254 5.23078      1.2097   7.23765      1.08631  2.17015  0.278715  2.611    0.208026  
1 1 1 54 36 6  o 1.45239  0.296942  2.44452      0.832761 2.06986      1.21007  2.78162      1.1478   1.26492  0.414712  1.48705  0.383542  
1 1 1 54 36 7  o 0.506344 0.246333  -1.17811     0.79459  -1.54675     1.12042  -0.805097    1.12705  0.598921 0.291646  0.676491 0.318566  
1 1 1 54 36 8  o 1.59159  0.251967  2.79163      0.802057 3.02578      1.14928  2.56931      1.11985  1.54717  0.374826  1.41321  0.385588  
1 1 1 54 36 9  o 0.688374 0.30065   0.0851588    0.781988 1.02249      1.11248  -0.830329    1.09944  0.971158 0.385211  0.658096 0.311582  
1 1 1 54 36 10 o 0.819481 0.322984  0.645763     0.777493 1.84135      1.1094   -0.508247    1.08994  1.17574  0.397087  0.690272 0.322053  
1 1 1 54 36 11 o 0.749917 0.315389  0.358429     0.804041 -0.106805    1.11582  0.860897     1.15961  0.751645 0.341392  0.931826 0.384484  
1 1 1 54 36 12 o 1.52379  0.279696  2.7226       0.820565 3.14428      1.15602  2.29438      1.16494  1.54914  0.376314  1.2884   0.40571   
1 1 1 54 36 13 o 2.37911  0.181526  6.05592      0.863744 6.47251      1.25562  5.6817       1.19005  2.37384  0.26447   2.22025  0.267999  
1 1 1 54 36 14 o 2.84543  0.157264  8.57219      0.89497  8.08024      1.26775  9.06095      1.26362  2.66973  0.23743   2.84857  0.221799  
1 1 1 54 36 15 o 0.845953 0.324937  0.860488     0.774999 2.1044       1.11141  -0.316815    1.08124  1.18204  0.397446  0.682699 0.319391  
1 1 1 54 36 16 o 0.965762 0.342628  1.27609      0.832155 2.03169      1.10805  0.298605     1.26028  1.14987  0.396577  0.797117 0.362251  
1 1 1 54 36 17 o 1.34543  0.320007  2.41056      0.849709 1.79886      1.13712  3.18397      1.27863  1.0688   0.397893  1.40724  0.421502  
1 1 1 54 36 18 o 1.01434  0.358     1.63473      0.907444 2.53608      1.24723  0.620954     1.32273  1.17041  0.419038  0.802232 0.366432  
1 1 1 54 36 19 o 0.613634 0.286855  -0.107281    0.87003  -0.408383    1.28903  0.144662     1.17912  0.666316 0.321668  0.706152 0.330986  
1 1 1 54 36 20 o 0.644223 0.296846  0.0636688    0.889657 0.477349     1.34243  -0.260315    1.18801  0.765423 0.357231  0.66395  0.317634  
1 1 1 54 36 21 o 0.682878 0.307514  0.49021      0.883913 -0.990862    1.24135  2.01348      1.25891  0.581393 0.287657  0.933775 0.393769  
1 1 1 54 37 0  o 0.523791 0.361409  -0.487395    1.19165  -0.487395    1.19165  -0.487395    1.19165  0.428777 0.297893  ?        ?         
1 1 1 54 37 1  o 2.03484  0.195842  4.3791       0.797017 4.81403      1.19062  4.02595      1.07286  2.06982  0.287616  1.89623  0.282892  
1 1 1 54 37 2  o 0.96559  0.333892  1.07005      0.785881 0.980398     1.2664   1.1262       1.0022   0.997217 0.404992  1.00036  0.373318  
1 1 1 54 37 3  o 1.12352  0.340588  1.53313      0.831493 0.996188     1.1549   2.11101      1.19811  0.984011 0.391801  1.27154  0.412634  
1 1 1 54 37 4  o 2.48653  0.186235  6.51876      0.92616  5.30241      1.25822  7.95719      1.36827  2.16343  0.290792  2.68731  0.254579  
1 1 1 54 37 5  o 0.656264 0.296304  -0.179684    0.826009 0.320872     1.18539  -0.652153    1.15165  0.850615 0.370848  0.699398 0.327692  
1 1 1 54 37 6  o 0.974654 0.337073  1.1199       0.800952 0.78171      1.17566  1.41282      1.09416  0.93071  0.38578   1.0696   0.391531  
1 1 1 54 37 7  o 1.14304  0.334633  1.61858      0.813433 1.48233      1.1778   1.74284      1.12476  1.0825   0.404559  1.15167  0.399329  
1 1 1 54 37 8  o 1.113    0.330759  1.5378       0.789447 2.84745      1.13958  0.329337     1.09467  1.47381  0.383126  0.819282 0.356788  
1 1 1 54 37 9  o 0.846807 0.325351  0.751197     0.77714  0.443815     1.09615  1.06185      1.10196  0.838492 0.360957  0.968932 0.383683  
1 1 1 54 37 10 o 2.02964  0.202811  4.44556      0.823267 2.90718      1.15076  6.0584       1.17828  1.47962  0.385171  2.32199  0.253721  
1 1 1 54 37 11 o 1.09199  0.337801  1.52241      0.8124   0.997744     1.13641  2.0708       1.16182  0.945332 0.383738  1.21492  0.40636   
1 1 1 54 37 12 o 1.61278  0.263655  3.01082      0.850433 3.88859      1.19474  2.10928      1.21081  1.72262  0.358622  1.19597  0.414357  
1 1 1 54 37 13 o 2.10911  0.208869  4.93093      0.881057 4.80318      1.24412  5.05946      1.24789  1.96066  0.317271  2.02352  0.308346  
1 1 1 54 37 14 o 1.75019  0.245049  3.55962      0.857767 4.16784      1.16952  2.85156      1.26187  1.77345  0.341932  1.34423  0.422045  
1 1 1 54 37 15 o 1.71961  0.262259  3.52325      0.901969 4.51542      1.2621   2.48754      1.2895   1.8161   0.36028   1.22782  0.427397  
1 1 1 54 37 16 o 0.916197 0.348967  1.16871      0.88772  0.716123     1.23639  1.65028      1.27537  0.840971 0.372038  1.01181  0.40824   
1 1 1 54 37 17 o 0.80057  0.330139  0.841345     0.854488 0.328104     1.21685  1.34062      1.20018  0.750225 0.34625   0.908474 0.383853  
1 1 1 54 37 18 o 1.21138  0.337787  2.22835      0.848768 3.57704      1.23315  1.01424      1.17001  1.42205  0.410642  0.827991 0.364637  
1 1 1 54 37 19 o 0.752037 0.321584  0.683215     0.859853 -0.676045    1.25555  1.88381      1.18     0.637767 0.310074  0.998338 0.396497  
1 1 1 54 37 20 o 1.04684  0.361145  2.00069      0.918954 1.87751      1.30173  2.12307      1.29748  0.907253 0.391985  0.95145  0.400418  
1 1 1 54 38 0  o 1.09122  0.486581  1.98627      1.11891  1.98627      1.11891  1.98627      1.11891  1.22172  0.371656  ?        ?         
1 1 1 54 38 1  o 3.38213  0.143677  11.8407      0.971869 12.3123      1.30198  11.2472      1.4605   3.40387  0.191249  3.21461  0.227166  
1 1 1 54 38 2  f 0.531251 0.261652  -1.71659     0.986634 -3.46472     1.35239  0.272523     1.4426   0.542655 0.273347  0.889936 0.397048  
1 1 1 54 38 3  o 2.68345  0.174261  7.58482      0.935243 7.00583      1.27901  8.25015      1.37105  2.5069   0.255097  2.72421  0.251642  
1 1 1 54 38 4  o 0.719676 0.320087  0.0125699    0.931035 -0.777614    1.25668  0.974019     1.38619  0.709044 0.334624  0.986422 0.414449  
1 1 1 54 38 5  o 1.04884  0.353133  1.3753       0.877391 0.319873     1.23413  2.45394      1.24762  0.848729 0.374067  1.33002  0.420026  
1 1 1 54 38 6  o 0.545279 0.263418  -1.04839     0.869039 -1.33464     1.21845  -0.751996    1.23984  0.640243 0.309744  0.705158 0.332668  
1 1 1 54 38 7  o 0.91427  0.34445   0.94992      0.857201 1.01298      1.18757  0.881328     1.23857  0.96505  0.3921    0.945045 0.394105  
1 1 1 54 38 8  o 1.8907   0.234009  3.95334      0.884879 4.73931      1.23996  3.13767      1.26317  1.99905  0.310139  1.51304  0.40805   
1 1 1 54 38 9  o 0.733036 0.315028  0.274524     0.832395 -0.766264    1.16394  1.36407      1.19089  0.674216 0.319864  1.03112  0.401361  
1 1 1 54 38 10 o 1.25821  0.333596  2.04511      0.853279 2.16274      1.20461  1.92665      1.20883  1.21532  0.413776  1.15193  0.412526  
1 1 1 54 38 11 f 0.685832 0.306214  0.0647551    0.859462 0.145484     1.18826  -0.0238127   1.24462  0.779745 0.353542  0.76857  0.352884  
1 1 1 54 38 12 o 0.537867 0.260015  -0.920789    0.852337 -1.14356     1.16787  -0.666902    1.24677  0.619188 0.300415  0.686197 0.327586  
1 1 1 54 38 13 o 1.18694  0.344772  1.94919      0.866772 2.47672      1.25616  1.46975      1.19754  1.23907  0.422537  1.00058  0.39879   
1 1 1 54 38 14 o 0.629907 0.29117   -0.201796    0.864818 0.522483     1.18988  -1.01283     1.25913  0.814691 0.362116  0.6471   0.313375  
1 1 1 54 38 15 o 0.627943 0.288999  -0.0995759   0.840244 -0.739616    1.20742  0.501436     1.17003  0.647297 0.312199  0.789425 0.354741  
1 1 1 54 38 16 o 0.626993 0.289616  -0.0397535   0.853639 -1.30347     1.23957  1.10019      1.1773   0.593087 0.29209   0.860317 0.372256  
1 1 1 54 38 17 o 1.17572  0.333779  2.09899      0.821514 2.01739      1.14492  2.18559      1.17944  1.02941  0.395079  1.06131  0.402822  
1 1 1 54 38 18 o 0.60149  0.282273  -0.184458    0.867175 -1.44335     1.28803  0.859245     1.17279  0.585404 0.290448  0.802575 0.358037  
1 1 1 54 38 19 o 0.533961 0.260103  -0.664108    0.893953 -0.677322    1.28802  -0.651827    1.24173  0.613187 0.301998  0.607823 0.29844   
1 1 1 54 39 0  o 0.870987 0.509257  1.41764      1.45297  1.41764      1.45297  1.41764      1.45297  0.892223 0.457774  ?        ?         
1 1 1 54 39 1  o 2.64731  0.198455  7.52604      1.05074  8.48284      1.48014  6.55402      1.49188  2.73164  0.270926  2.34878  0.317585  
1 1 1 54 39 2  o 1.58696  0.300862  3.00112      0.920282 1.93568      1.26101  4.2152       1.3461   1.18438  0.421615  1.80023  0.385076  
1 1 1 54 39 3  o 1.38257  0.319429  2.34419      0.86617  3.92077      1.19355  0.590046     1.25896  1.77194  0.349228  0.894585 0.385989  
1 1 1 54 39 4  o 1.03305  0.351353  1.34102      0.868572 1.52145      1.21333  1.15137      1.24394  1.0798   0.408941  0.997904 0.402951  
1 1 1 54 39 5  o 0.733766 0.315139  0.262215     0.832044 -1.33861     1.20175  1.73611      1.15313  0.631871 0.306026  1.13306  0.403194  
1 1 1 54 39 6  o 0.928141 0.347394  1.01118      0.869113 1.74546      1.29269  0.405479     1.17407  1.12414  0.423096  0.840722 0.367779  
1 1 1 54 39 7  o 1.30497  0.334062  2.17368      0.875612 1.23731      1.23703  3.11392      1.23958  0.998782 0.402439  1.49258  0.404981  
1 1 1 54 39 8  o 0.988027 0.35705   1.26773      0.907381 -0.00159737  1.33603  2.35453      1.23624  0.797895 0.36604   1.25789  0.419172  
1 1 1 54 39 9  o 0.840042 0.337874  0.767064     0.869745 1.57192      1.26876  0.0535455    1.1946   1.04653  0.412554  0.768241 0.350076  
1 1 1 54 39 10 o 0.675035 0.300776  0.0881029    0.82543  0.73675      1.20873  -0.478713    1.12992  0.868529 0.37652   0.677621 0.319061  
1 1 1 54 39 11 o 0.666302 0.299293  0.0560512    0.832093 -0.348991    1.21115  0.418146     1.14514  0.707067 0.332168  0.798186 0.354998  
1 1 1 54 39 12 o 1.6505   0.260906  3.23942      0.861247 3.45362      1.25201  3.04702      1.18659  1.51407  0.405307  1.42171  0.400355  
1 1 1 54 39 13 o 2.10544  0.208972  4.99696      0.879956 4.35367      1.29536  5.5482       1.1991   1.737    0.38316   2.12283  0.28243   
1 1 1 54 39 14 o 0.725358 0.313959  0.487294     0.837927 0.256139     1.14667  0.752175     1.22747  0.738329 0.338879  0.819419 0.365899  
1 1 1 54 39 15 o 1.45808  0.313682  2.95918      0.888522 1.50292      1.26629  4.37152      1.24705  0.922861 0.392302  1.67032  0.381507  
1 1 1 54 39 16 o 1.05603  0.348899  1.80245      0.856481 0.944871     1.22779  2.61532      1.19536  0.813947 0.364634  1.16314  0.41085   
1 1 1 54 39 17 o 0.594324 0.279869  -0.229639    0.869811 -0.813409    1.28309  0.26676      1.18318  0.627618 0.30686   0.717251 0.334991  
1 1 1 54 39 18 o 0.74255  0.321718  0.823687     0.881506 1.57843      1.29196  0.16629      1.20577  0.84933  0.377438  0.670715 0.320662  
1 1 1 54 40 0  o 0.593415 0.402031  -0.107531    1.36192  -0.107531    1.36192  -0.107531    1.36192  0.508779 0.342499  ?        ?         
1 1 1 54 40 1  o 1.07787  0.37362   1.53304      0.984533 1.14146      1.37813  1.94119      1.407    0.995555 0.415478  1.1578   0.439816  
1 1 1 54 40 2  o 0.955779 0.362094  1.10977      0.951531 0.520026     1.35815  1.67832      1.33352  0.886924 0.39146   1.09892  0.425341  
1 1 1 54 40 3  o 2.60238  0.191183  7.29779      0.995062 6.13735      1.41666  8.42785      1.39799  2.25188  0.31455   2.71834  0.25714   
1 1 1 54 40 4  o 1.2378   0.345169  2.00752      0.886255 2.73623      1.21641  1.18305      1.29388  1.37939  0.410705  0.984725 0.406192  
1 1 1 54 40 5  o 1.82072  0.268305  3.85974      0.977016 3.89417      1.43318  3.82984      1.33542  1.62207  0.433379  1.64451  0.407564  
1 1 1 54 40 6  o 0.739165 0.321164  0.303185     0.883193 -0.230367    1.16903  1.01267      1.34806  0.725883 0.336678  0.943196 0.402971  
1 1 1 54 40 7  o 1.24529  0.331465  2.04572      0.840349 0.54758      1.17088  3.63718      1.2068   0.835617 0.366399  1.62053  0.378771  
1 1 1 54 40 8  o 0.907935 0.342821  1.05922      0.850565 1.31572      1.23708  0.829256     1.17137  0.977091 0.399116  0.878456 0.375483  
1 1 1 54 40 9  o 2.40443  0.185184  6.32007      0.890527 7.34381      1.24563  5.24977      1.27363  2.50943  0.248189  2.03853  0.31239   
1 1 1 54 40 10 o 1.04117  0.342156  1.50396      0.823693 1.41806      1.15684  1.59228      1.17308  0.98759  0.392475  1.02633  0.398585  
1 1 1 54 40 11 o 1.07271  0.349824  1.63838      0.861028 3.00005      1.25187  0.415958     1.18614  1.3702   0.418416  0.795617 0.35736   
1 1 1 54 40 12 o 1.04763  0.353155  1.63835      0.8775   1.11197      1.25988  2.13428      1.22289  0.895849 0.386327  1.11288  0.41296   
1 1 1 54 40 13 o 0.813165 0.336746  0.889645     0.894502 1.11055      1.3388   0.711507     1.20223  0.868208 0.385223  0.801249 0.359835  
1 1 1 54 40 14 o 0.718427 0.317882  0.482581     0.903174 1.00102      1.29394  -0.0099959   1.26125  0.832475 0.373596  0.703413 0.333362  
1 1 1 54 40 15 o 1.06037  0.351776  1.82028      0.87066  1.83235      1.25219  1.80899      1.21142  0.971659 0.399994  0.972806 0.395759  
1 1 1 54 40 16 o 0.645895 0.294709  0.166037     0.852624 0.369311     1.24732  -0.0122548   1.16816  0.731354 0.342372  0.67776  0.321024  
1 1 1 54 40 17 f 1.0512   0.357043  2.06335      0.896932 1.80231      1.27499  2.3191       1.26201  0.869715 0.381839  0.964385 0.399715  
1 1 1 54 41 0  o 0.526488 0.365934  -0.471673    1.28333  -0.471673    1.28333  -0.471673    1.28333  0.43879  0.30521   ?        ?         
1 1 1 54 41 1  o 0.722543 0.320795  0.165747     0.930398 1.31081      1.28826  -1.08266     1.34514  0.99055  0.406396  0.677113 0.327212  
1 1 1 54 41 2  o 0.450798 0.226838  -2.32155     0.921037 -0.842069    1.28339  -3.89279     1.32258  0.683267 0.327658  0.499373 0.254031  
1 1 1 54 41 3  o 0.676722 0.307625  -0.0557401   0.910269 0.51161      1.27277  -0.649794    1.30237  0.84431  0.374988  0.70495  0.336127  
1 1 1 54 41 4  f 1.79153  0.278     3.84416      0.996092 4.11092      1.3925   3.56464      1.42545  1.6635   0.418576  1.49812  0.444299  
1 1 1 54 41 5  o 0.443887 0.223661  -2.3269      0.90747  -2.14221     1.30768  -2.49847     1.26034  0.582656 0.28957   0.54746  0.27373   
1 1 1 54 41 6  o 1.00143  0.357852  1.40474      0.909204 1.28706      1.2988   1.51782      1.2732   0.965232 0.403115  1.0107   0.407851  
1 1 1 54 41 7  o 0.641615 0.293946  -0.132443    0.858335 1.27124      1.19042  -1.65245     1.23876  0.957444 0.391374  0.59409  0.292593  
1 1 1 54 41 8  o 0.810612 0.336222  0.705479     0.893933 0.0862628    1.21356  1.44007      1.32179  0.758379 0.348309  0.987613 0.409191  
1 1 1 54 41 9  o 0.657207 0.298049  0.0127379    0.844979 0.817778     1.17791  -0.840708    1.21281  0.860109 0.372263  0.649892 0.313314  
1 1 1 54 41 10 o 0.665304 0.30227   0.062139     0.876236 0.198594     1.20296  -0.0920867   1.27889  0.753997 0.346501  0.731049 0.343023  
1 1 1 54 41 11 o 0.586465 0.276772  -0.355069    0.859686 0.461287     1.22326  -1.15176     1.20844  0.771555 0.352405  0.600903 0.29484   
1 1 1 54 41 12 o 0.923006 0.349978  1.34917      0.889545 0.709548     1.26146  1.98184      1.25458  0.796162 0.361978  1.01757  0.407239  
1 1 1 54 41 13 o 0.593413 0.282289  -0.320319    0.91198  -0.208431    1.30186  -0.428131    1.27794  0.683268 0.328227  0.658617 0.318387  
1 1 1 54 41 14 o 0.566758 0.271759  -0.508468    0.882272 -0.673327    1.20343  -0.316891    1.29729  0.62824  0.304853  0.67829  0.326276  
1 1 1 54 41 15 o 0.932298 0.347053  1.47431      0.865073 1.82652      1.23993  1.14028      1.20751  0.94131  0.393548  0.824319 0.365787  
1 1 1 54 41 16 o 0.836082 0.344374  1.33563      0.928676 1.04096      1.32744  1.6181       1.29969  0.756215 0.353825  0.832339 0.373959  
1 1 1 54 42 0  o 1.05856  0.527905  2.27446      1.34669  2.27446      1.34669  2.27446      1.34669  1.22523  0.429707  ?        ?         
1 1 1 54 42 1  o 0.920236 0.3573    1.12561      0.942545 2.3478       1.30717  -0.198021    1.36033  1.19485  0.428869  0.755003 0.354175  
1 1 1 54 42 2  o 1.30828  0.35142   2.37352      0.939224 1.88305      1.25321  3.00205      1.41865  1.09022  0.414809  1.32895  0.449034  
1 1 1 54 42 3  o 0.738221 0.323336  0.341366     0.909754 0.41895      1.24352  0.25202      1.33446  0.811888 0.365224  0.803623 0.367478  
1 1 1 54 42 4  o 1.30648  0.345399  2.34965      0.91638  1.72242      1.2861   2.99646      1.30604  1.04805  0.414664  1.36088  0.429745  
1 1 1 54 42 5  o 0.929846 0.355071  1.17857      0.920978 0.927365     1.29262  1.43757      1.31253  0.893571 0.3884    0.985815 0.408058  
1 1 1 54 42 6  o 0.900873 0.354219  1.0815       0.933073 0.259743     1.26169  2.07348      1.38621  0.78625  0.358683  1.10311  0.432278  
1 1 1 54 42 7  o 1.6244   0.300256  3.3797       0.938774 4.39998      1.30238  2.27627      1.3544   1.7392   0.384664  1.14217  0.432208  
1 1 1 54 42 8  o 1.31827  0.351054  2.53303      0.942335 2.54208      1.3252   2.52377      1.34025  1.17882  0.430951  1.17024  0.432706  
1 1 1 54 42 9  o 1.16934  0.359114  2.13284      0.920397 2.50296      1.27335  1.72789      1.3319   1.15301  0.422345  0.974701 0.40772   
1 1 1 54 42 10 o 0.496863 0.244854  -1.21572     0.877021 -0.61613     1.18065  -1.95389     1.31     0.632796 0.305926  0.564311 0.281743  
1 1 1 54 42 11 o 0.663663 0.302331  0.198301     0.88951  -0.431531    1.19284  0.987262     1.33505  0.645485 0.311075  0.825841 0.374577  
1 1 1 54 42 12 o 0.891812 0.357093  1.30025      0.965339 0.796168     1.31224  1.8948       1.42513  0.801417 0.365655  0.960949 0.412563  
1 1 1 54 42 13 o 0.797422 0.33489   0.916286     0.904403 0.668916     1.30558  1.1445       1.25402  0.775682 0.358248  0.839919 0.37273   
1 1 1 54 42 14 o 0.664598 0.303563  0.351086     0.907768 -0.0554368   1.24694  0.80946      1.32408  0.658619 0.317563  0.754301 0.35305   
1 1 1 54 43 0  o 0.61554  0.410524  0.310877     1.31812  0.310877     1.31812  0.310877     1.31812  0.557477 0.361825  ?        ?         
1 1 1 54 43 1  o 2.24624  0.222177  5.77064      0.998126 5.36765      1.39347  6.19527      1.43038  1.95839  0.36928   2.17126  0.329391  
1 1 1 54 43 2  o 1.31924  0.356303  2.47745      0.962241 1.94191      1.31682  3.09106      1.40954  1.07715  0.421479  1.32923  0.44759   
1 1 1 54 43 3  o 0.486752 0.241461  -1.53178     0.889006 -2.29567     1.22464  -0.680755    1.2926   0.540324 0.270141  0.678804 0.326319  
1 1 1 54 43 4  o 1.09339  0.360249  1.80129      0.91311  1.73824      1.29664  1.86331      1.28609  1.01509  0.410776  1.04268  0.413991  
1 1 1 54 43 5  o 0.621017 0.290496  -0.209411    0.894091 -0.719589    1.2794   0.277573     1.24998  0.65878  0.318484  0.760565 0.350988  
1 1 1 54 43 6  o 1.37183  0.338443  2.72661      0.924053 1.7478       1.29618  3.73821      1.3177   0.984135 0.406323  1.46743  0.424726  
1 1 1 54 43 7  o 0.801    0.337121  0.844145     0.91979  -0.186906    1.29198  1.90377      1.30976  0.699174 0.333708  1.00166  0.410165  
1 1 1 54 43 8  o 0.970842 0.364663  1.57493      0.959338 1.1973       1.30415  2.02024      1.41619  0.866255 0.382805  0.994428 0.418412  
1 1 1 54 43 9  o 0.784527 0.338354  0.826602     0.966591 -0.166013    1.34139  1.89872      1.39407  0.694553 0.333532  0.960422 0.410043  
1 1 1 54 43 10 o 0.960426 0.361591  1.55479      0.944317 0.478804     1.30691  2.73022      1.36597  0.760598 0.354008  1.13469  0.432678  
1 1 1 54 43 11 o 0.594337 0.283342  -0.342305    0.924532 0.475569     1.29976  -1.17991     1.31535  0.755691 0.352232  0.607408 0.299458  
1 1 1 54 43 12 o 0.676264 0.309514  0.320148     0.949045 1.23793      1.33712  -0.611589    1.34725  0.827703 0.375173  0.639085 0.312927  
1 1 1 54 43 13 o 0.640933 0.298677  0.26608      0.933921 -1.13867     1.30807  1.72673      1.33384  0.572047 0.285029  0.843936 0.379013  
1 1 1 54 44 0  o 0.963717 0.523534  2.22367      1.40181  2.22367      1.40181  2.22367      1.40181  1.13243  0.453182  ?        ?         
1 1 1 54 44 1  o 0.698474 0.315116  0.294084     0.93242  0.499922     1.33281  0.0967712    1.30491  0.783669 0.361947  0.732786 0.344406  
1 1 1 54 44 2  o 0.690894 0.314173  0.231448     0.951194 0.594019     1.29986  -0.186516    1.39562  0.790881 0.362081  0.716463 0.34312   
1 1 1 54 44 3  o 0.691633 0.310769  0.306314     0.897747 0.16926      1.24328  0.455621     1.29767  0.728413 0.341142  0.770146 0.356252  
1 1 1 54 44 4  o 1.77966  0.264969  4.01564      0.943113 4.89256      1.35073  3.18144      1.31742  1.74288  0.396345  1.28455  0.432716  
1 1 1 54 44 5  o 0.962204 0.356383  1.51872      0.909916 1.7757       1.29317  1.26672      1.28056  0.962326 0.402093  0.874459 0.383304  
1 1 1 54 44 6  o 0.693292 0.31327   0.345067     0.925123 0.967313     1.2919   -0.309847    1.32538  0.821124 0.370659  0.679262 0.327487  
1 1 1 54 44 7  o 0.803665 0.340401  0.921641     0.947629 1.40196      1.35999  0.468355     1.32116  0.884281 0.390823  0.758089 0.354034  
1 1 1 54 44 8  o 0.914609 0.360113  1.38533      0.965615 1.03591      1.38409  1.71667      1.3478   0.837722 0.380417  0.942228 0.402757  
1 1 1 54 44 9  o 0.493743 0.245127  -1.37583     0.924888 -0.642182    1.323    -2.07712     1.29348  0.647206 0.315473  0.545532 0.273335  
1 1 1 54 44 10 o 0.945767 0.363262  1.6373       0.968561 2.14007      1.32374  1.05798      1.42092  0.976008 0.40725   0.805736 0.372742  
1 1 1 54 44 11 o 0.661697 0.306735  0.383408     0.968591 0.151488     1.37374  0.612683     1.36588  0.671573 0.325827  0.712543 0.34081   
1 1 1 54 45 0  o 1.29837  0.529308  3.27388      1.3447   3.27388      1.3447   3.27388      1.3447   1.57736  0.344484  ?        ?         
1 1 1 54 45 1  o 0.778085 0.335429  0.802257     0.949162 0.426435     1.3585   1.16069      1.3267   0.755316 0.354253  0.847077 0.379268  
1 1 1 54 45 2  o 1.42361  0.348612  3.09024      0.985995 3.41558      1.34285  2.70963      1.4524   1.30615  0.436872  1.09853  0.438756  
1 1 1 54 45 3  o 0.668515 0.303968  0.228099     0.889954 1.1705       1.25862  -0.714194    1.25855  0.852477 0.376473  0.63318  0.308467  
1 1 1 54 45 4  f 1.03265  0.368526  1.82304      0.963972 3.07845      1.35309  0.529149     1.37367  1.22392  0.436632  0.773133 0.361037  
1 1 1 54 45 5  f 0.754679 0.330539  0.652048     0.950718 0.693451     1.37831  0.614471     1.3131   0.794792 0.367462  0.780392 0.359987  
1 1 1 54 45 6  o 0.614597 0.289351  -0.179847    0.928747 0.584857     1.38743  -0.800717    1.25016  0.773168 0.361748  0.621102 0.303494  
1 1 1 54 45 7  o 1.64499  0.308512  3.81996      0.977538 3.23409      1.39558  4.38428      1.36968  1.20363  0.44203   1.51968  0.430841  
1 1 1 54 45 8  o 0.602597 0.286473  -0.145986    0.937875 0.339172     1.33463  -0.619298    1.31823  0.708746 0.338489  0.624723 0.306981  
1 1 1 54 45 9  o 0.553138 0.269348  -0.525026    0.955515 -1.20942     1.33464  0.194648     1.3686   0.572058 0.285437  0.674468 0.326643  
1 1 1 54 46 0  o 1.06344  0.529083  2.63595      1.35146  2.63595      1.35146  2.63595      1.35146  1.30599  0.416629  ?        ?         
1 1 1 54 46 1  o 0.849973 0.35508   1.19369      1.00815  -1.39514     1.43029  3.74982      1.42123  0.609346 0.302836  1.32236  0.449442  
1 1 1 54 46 2  o 0.984361 0.370973  1.75576      0.994444 1.7743       1.35757  1.7343       1.46081  0.923353 0.39964   0.907058 0.402436  
1 1 1 54 46 3  o 0.734083 0.325722  0.645583     0.957259 0.878599     1.34492  0.406333     1.36279  0.787355 0.363626  0.735059 0.347491  
1 1 1 54 46 4  o 0.763053 0.332708  0.856778     0.954314 0.937631     1.37056  0.780686     1.32958  0.78126  0.3632    0.761578 0.355469  
1 1 1 54 46 5  o 0.992305 0.364708  1.89799      0.950204 1.86191      1.37723  1.93078      1.31267  0.880101 0.39058   0.900726 0.391454  
1 1 1 54 46 6  o 0.587165 0.281674  -0.187311    0.950566 0.775067     1.35254  -1.12661     1.33622  0.727941 0.345094  0.577327 0.287719  
1 1 1 54 47 0  o 0.829619 0.499154  2.13885      1.46351  2.13885      1.46351  2.13885      1.46351  0.982166 0.466368  ?        ?         
1 1 1 55 0  0  o 6.80993  0.134427  46.4805      1.82927  46.4805      1.82927  46.4805      1.82927  6.8138   0.0949587 ?        ?         
1 1 1 55 0  1  o 1.73888  0.211961  3.16415      0.712401 3.16415      0.712401 3.16415      0.712401 1.75991  0.1454    ?        ?         
1 1 1 55 0  2  o 8.16922  0.108015  66.8195      1.7641   66.8195      1.7641   66.8195      1.7641   8.17177  0.0763391 ?        ?         
1 1 1 55 0  3  o 6.27742  0.101433  39.4626      1.27273  39.4626      1.27273  39.4626      1.27273  6.27967  0.0716774 ?        ?         
1 1 1 55 0  4  o 11.1356  0.122433  124.167      2.72597  124.167      2.72597  124.167      2.72597  11.1393  0.0865321 ?        ?         
1 1 1 55 0  5  o 0.466532 0.304136  -0.017855    0.66722  -0.017855    0.66722  -0.017855    0.66722  0.391345 0.255373  ?        ?         
1 1 1 55 0  6  o 0.77025  0.374874  0.884397     0.672709 0.884397     0.672709 0.884397     0.672709 0.801348 0.312406  ?        ?         
1 1 1 55 0  7  o 2.30865  0.162818  5.41895      0.743189 5.41895      0.743189 5.41895      0.743189 2.31842  0.113963  ?        ?         
1 1 1 55 0  8  o 2.25132  0.172408  5.1681       0.76582  5.1681       0.76582  5.1681       0.76582  2.26255  0.120449  ?        ?         
1 1 1 55 0  9  o 5.19524  0.105508  27.0478      1.09526  27.0478      1.09526  27.0478      1.09526  5.19799  0.0745311 ?        ?         
1 1 1 55 0  10 o 1.48389  0.249593  2.38974      0.677724 2.38974      0.677724 2.38974      0.677724 1.5189   0.161965  ?        ?         
1 1 1 55 0  11 f 8.80616  0.113885  77.6791      2.00502  77.6791      2.00502  77.6791      2.00502  8.80986  0.0804798 ?        ?         
1 1 1 55 0  12 o 3.80177  0.136648  14.5357      1.03596  14.5357      1.03596  14.5357      1.03596  3.8072   0.0963437 ?        ?         
1 1 1 55 0  13 o 1.00548  0.397704  1.41001      0.766629 1.41001      0.766629 1.41001      0.766629 1.0858   0.289561  ?        ?         
1 1 1 55 0  14 o 1.00071  0.404545  1.41144      0.787468 1.41144      0.787468 1.41144      0.787468 1.07977  0.298516  ?        ?         
1 1 1 55 0  15 o 1.23849  0.382755  1.93484      0.827643 1.93484      0.827643 1.93484      0.827643 1.32427  0.246364  ?        ?         
1 1 1 55 0  16 o 1.78619  0.238204  3.38014      0.817217 3.38014      0.817217 3.38014      0.817217 1.81399  0.162264  ?        ?         
1 1 1 55 0  17 o 0.457807 0.309142  -0.288334    0.795577 -0.288334    0.795577 -0.288334    0.795577 0.370052 0.25328   ?        ?         
1 1 1 55 0  18 o 2.89458  0.160323  8.48916      0.92163  8.48916      0.92163  8.48916      0.92163  2.90417  0.112584  ?        ?         
1 1 1 55 0  19 o 1.63015  0.30266   2.94982      0.885336 2.94982      0.885336 2.94982      0.885336 1.68027  0.19199   ?        ?         
1 1 1 55 0  20 o 6.40399  0.130333  41.1862      1.66774  41.1862      1.66774  41.1862      1.66774  6.41078  0.0920185 ?        ?         
1 1 1 55 0  21 o 1.12162  0.44569   1.78481      0.961104 1.78481      0.961104 1.78481      0.961104 1.21759  0.323766  ?        ?         
1 1 1 55 0  22 o 1.2824   0.435572  2.18226      0.99873  2.18226      0.99873  2.18226      0.99873  1.38662  0.288959  ?        ?         
1 1 1 55 0  23 o 3.0335   0.182421  9.37778      1.09758  9.37778      1.09758  9.37778      1.09758  3.04808  0.127822  ?        ?         
1 1 1 55 0  24 o 1.21285  0.451286  2.04955      1.01428  2.04955      1.01428  2.04955      1.01428  1.32142  0.312809  ?        ?         
1 1 1 55 0  25 o 0.490959 0.339194  -0.59698     1.05515  -0.59698     1.05515  -0.59698     1.05515  0.391361 0.27342   ?        ?         
1 1 1 55 0  26 o 3.31741  0.187605  11.2417      1.23562  11.2417      1.23562  11.2417      1.23562  3.33531  0.131443  ?        ?         
1 1 1 55 0  27 o 1.84672  0.329295  3.83348      1.1006   3.83348      1.1006   3.83348      1.1006   1.90949  0.209542  ?        ?         
1 1 1 55 0  28 o 1.16704  0.48792   2.05728      1.13438  2.05728      1.13438  2.05728      1.13438  1.28173  0.36176   ?        ?         
1 1 1 55 0  29 o 1.21319  0.48151   2.184        1.1223   2.184        1.1223   2.184        1.1223   1.33843  0.343565  ?        ?         
1 1 1 55 0  30 o 1.04765  0.491419  1.80444      1.14591  1.80444      1.14591  1.80444      1.14591  1.14637  0.393752  ?        ?         
1 1 1 55 0  31 o 0.471023 0.332475  -0.951519    1.16194  -0.951519    1.16194  -0.951519    1.16194  0.371273 0.265886  ?        ?         
1 1 1 55 0  32 o 0.724492 0.440373  0.778345     1.16554  0.778345     1.16554  0.778345     1.16554  0.692789 0.391988  ?        ?         
1 1 1 55 0  33 o 2.18492  0.285204  5.35287      1.19878  5.35287      1.19878  5.35287      1.19878  2.25287  0.191304  ?        ?         
1 1 1 55 0  34 o 0.692156 0.43128   0.753618     1.1757   0.753618     1.1757   0.753618     1.1757   0.665737 0.387002  ?        ?         
1 1 1 55 0  35 o 0.743126 0.462311  1.04063      1.34625  1.04063      1.34625  1.04063      1.34625  0.740507 0.420443  ?        ?         
1 1 1 55 0  36 o 1.08266  0.556621  2.79028      1.52079  2.79028      1.52079  2.79028      1.52079  1.31888  0.453895  ?        ?         
1 1 1 55 0  37 o 0.961779 0.554127  2.60778      1.68121  2.60778      1.68121  2.60778      1.68121  1.15113  0.501546  ?        ?         
1 1 1 55 1  0  o 3.09236  0.126602  9.62069      0.780015 9.62069      0.780015 9.62069      0.780015 3.09707  0.089212  ?        ?         
1 1 1 55 1  1  o 11.3759  0.0888437 129.545      2.02135  125.97       2.79613  133.458      2.92549  11.2122  0.124692  11.5402  0.126752  
1 1 1 55 1  2  o 5.81627  0.0682031 33.85        0.793375 33.9083      1.11025  33.7892      1.13413  5.81955  0.0953901 5.80915  0.0976158 
1 1 1 55 1  3  o 3.87281  0.0762912 15.0105      0.590922 15.0051      0.813709 15.0166      0.859553 3.87073  0.105111  3.87188  0.110999  
1 1 1 55 1  4  o 3.78399  0.0775128 14.3305      0.586615 13.8195      0.837721 14.8222      0.821708 3.71418  0.112773  3.84691  0.106801  
1 1 1 55 1  5  o 3.66343  0.0806381 13.4331      0.590823 13.4374      0.845103 13.429       0.826315 3.66223  0.115381  3.66123  0.112847  
1 1 1 55 1  6  o 6.01329  0.0698878 36.1855      0.840511 36.0644      1.18933  36.3062      1.18799  6.00103  0.0990939 6.02115  0.0986518 
1 1 1 55 1  7  o 10.9772  0.0875634 120.639      1.9224   120.251      2.68083  121.049      2.75819  10.9534  0.122375  10.989   0.125498  
1 1 1 55 1  8  o 9.20264  0.083489  84.7827      1.53664  82.7907      2.16027  86.8228      2.18623  9.08861  0.118845  9.30754  0.117444  
1 1 1 55 1  9  o 2.32586  0.1205    5.42296      0.560532 5.24249      0.863142 5.55457      0.737116 2.28268  0.189063  2.35188  0.156708  
1 1 1 55 1  10 o 5.76451  0.0735316 33.2621      0.847748 33.1582      1.21885  33.3594      1.17989  5.75246  0.105942  5.77029  0.102239  
1 1 1 55 1  11 o 3.35482  0.0970318 11.2752      0.651048 12.277       0.919363 10.2676      0.922086 3.49804  0.131411  3.19791  0.14417   
1 1 1 55 1  12 o 3.58851  0.0920344 12.8996      0.660534 13.0498      0.921484 12.7409      0.947323 3.6065   0.127753  3.56308  0.132936  
1 1 1 55 1  13 f 4.07177  0.0830442 16.6037      0.676273 15.6979      0.931666 17.6126      0.983204 3.95624  0.117746  4.19062  0.11731   
1 1 1 55 1  14 o 1.37821  0.201133  1.91733      0.554405 1.59078      0.792545 2.23023      0.775816 1.22426  0.320092  1.45764  0.276147  
1 1 1 55 1  15 o 3.80205  0.0952596 14.4894      0.724364 13.5967      0.996107 15.4912      1.05526  3.67874  0.135387  3.92681  0.134366  
1 1 1 55 1  16 o 2.41755  0.133087  5.87385      0.643488 6.22838      0.907016 5.51456      0.913073 2.48407  0.182566  2.33581  0.195451  
1 1 1 55 1  17 o 2.41136  0.132774  5.8459       0.640334 5.83185      0.904061 5.86005      0.907086 2.402    0.188189  2.40778  0.188366  
1 1 1 55 1  18 o 1.5239   0.190404  2.35027      0.580311 2.15238      0.802981 2.56662      0.839611 1.42221  0.292329  1.55943  0.279313  
1 1 1 55 1  19 o 3.96075  0.0972726 15.741       0.770545 15.8988      1.09102  15.584       1.08841  3.97377  0.137278  3.93403  0.138333  
1 1 1 55 1  20 o 5.29753  0.0880983 28.145       0.933407 27.2485      1.2919   29.1242      1.3501   5.205    0.124102  5.38083  0.125454  
1 1 1 55 1  21 o 5.52122  0.0917975 30.5867      1.01367  30.5342      1.41084  30.6427      1.45737  5.50758  0.128082  5.5162   0.132099  
1 1 1 55 1  22 o 1.92446  0.174956  3.75843      0.673391 3.40943      0.941447 4.12402      0.963577 1.81735  0.259016  2.00307  0.240525  
1 1 1 55 1  23 o 1.6193   0.218297  2.68744      0.706975 2.73688      1.01061  2.64006      0.989354 1.58358  0.329949  1.55509  0.328296  
1 1 1 55 1  24 f 3.65479  0.115114  13.4606      0.841432 13.3251      1.20417  13.59        1.17625  3.62124  0.166265  3.65896  0.160735  
1 1 1 55 1  25 f 0.534612 0.256274  -1.02745     0.783228 -1.10919     1.12855  -0.951501    1.08788  0.675049 0.318147  0.677669 0.317687  
1 1 1 55 1  26 o 1.90744  0.20703   3.7517       0.789793 3.76631      1.10644  3.73652      1.12774  1.88268  0.293847  1.87245  0.301139  
1 1 1 55 1  27 o 2.33364  0.173715  5.57143      0.810777 5.02603      1.11594  6.18121      1.17996  2.18812  0.255     2.43207  0.242584  
1 1 1 55 1  28 o 1.68854  0.23868   2.99346      0.806039 3.69736      1.12832  2.25988      1.15187  1.84908  0.305104  1.38702  0.395703  
1 1 1 55 1  29 o 0.827293 0.327442  0.528772     0.802233 0.960568     1.14529  0.112837     1.12406  1.01285  0.393736  0.832734 0.362078  
1 1 1 55 1  30 o 0.99185  0.34004   1.09587      0.813594 0.337275     1.14428  1.87146      1.15702  0.868012 0.371071  1.23752  0.40552   
1 1 1 55 1  31 o 0.607161 0.280641  -0.45853     0.803276 -0.551797    1.13161  -0.3638      1.14045  0.716067 0.331787  0.744555 0.340154  
1 1 1 55 1  32 o 2.16354  0.199629  4.99537      0.86381  4.19741      1.2142   5.81312      1.22916  1.86054  0.338842  2.27417  0.270244  
1 1 1 55 1  33 o 0.954311 0.340688  1.09707      0.823903 1.52765      1.15102  0.644636     1.17987  1.07958  0.400633  0.887781 0.378072  
1 1 1 55 1  34 o 0.893167 0.3424    0.987486     0.859162 -0.342634    1.21645  2.31145      1.21363  0.718081 0.336507  1.22836  0.415322  
1 1 1 55 1  35 f 0.439985 0.222426  -2.59524     0.947487 -1.3266      1.39827  -3.67229     1.28837  0.65462  0.320127  0.492276 0.250485  
1 1 1 55 1  36 o 0.564395 0.27611   -0.991232    1.04279  0.762786     1.50731  -2.60141     1.44418  0.816023 0.37995   0.558509 0.281568  
1 1 1 55 1  37 o 0.681051 0.323517  0.0152201    1.19404  1.16138      1.7203   -1.05026     1.65865  0.832553 0.392501  0.663567 0.329278  
1 1 1 55 2  0  o 6.87007  0.100674  47.2615      1.3826   47.2615      1.3826   47.2615      1.3826   6.87238  0.0711457 ?        ?         
1 1 1 55 2  1  o 9.90724  0.0806494 98.2426      1.59803  97.8319      2.22177  98.6827      2.30017  9.88226  0.112412  9.92458  0.115882  
1 1 1 55 2  2  o 4.26709  0.0738848 18.2221      0.630546 17.2198      0.86915  19.3357      0.916161 4.14646  0.104806  4.39387  0.104254  
1 1 1 55 2  3  o 4.63245  0.070777  21.4749      0.655741 21.9852      0.924747 20.9588      0.929991 4.68556  0.0986804 4.57469  0.101645  
1 1 1 55 2  4  o 4.36892  0.0722909 19.1019      0.631666 19.2121      0.862352 18.9745      0.927862 4.38005  0.0984409 4.35235  0.106593  
1 1 1 55 2  5  o 4.68745  0.0717762 21.989       0.672895 22.3846      0.929721 21.5539      0.975137 4.72781  0.0983248 4.63877  0.105107  
1 1 1 55 2  6  o 2.59518  0.108409  6.74716      0.562682 6.84724      0.827346 6.66103      0.767523 2.61163  0.158397  2.57645  0.14895   
1 1 1 55 2  7  o 6.62129  0.0756978 43.882       1.00243  44.8852      1.48099  43.0337      1.36181  6.69298  0.110638  6.55426  0.103887  
1 1 1 55 2  8  o 1.43435  0.184496  2.06929      0.529265 2.05728      0.801212 2.07859      0.704977 1.39786  0.295681  1.41181  0.259366  
1 1 1 55 2  9  f 9.43818  0.0860379 89.1979      1.62408  90.9974      2.35041  87.5537      2.2467   9.52616  0.123366  9.34481  0.120211  
1 1 1 55 2  10 o 8.72224  0.0822594 76.1757      1.43497  75.8727      2.03976  76.4726      2.01911  8.69909  0.11724   8.73373  0.115592  
1 1 1 55 2  11 o 5.03514  0.0806187 25.3858      0.811853 25.6841      1.19178  25.1276      1.10895  5.06093  0.117744  5.00659  0.110749  
1 1 1 55 2  12 o 6.32021  0.07678   39.9945      0.970531 39.6413      1.32658  40.4013      1.42363  6.28884  0.105471  6.34787  0.112134  
1 1 1 55 2  13 o 7.57638  0.0802178 57.4849      1.21552  59.0124      1.67385  55.7808      1.76802  7.67168  0.109093  7.45687  0.11855   
1 1 1 55 2  14 o 4.1084   0.0884054 16.9116      0.726411 17.1156      1.06684  16.7353      0.991851 4.1286   0.129201  4.08346  0.121448  
1 1 1 55 2  15 o 1.52107  0.195824  2.33807      0.595724 2.48833      0.831156 2.17933      0.854281 1.53813  0.280588  1.43143  0.307256  
1 1 1 55 2  16 o 6.76005  0.0898196 45.8069      1.21437  44.082       1.67275  47.7289      1.76578  6.624    0.126264  6.89209  0.128102  
1 1 1 55 2  17 o 4.48795  0.0878768 20.1911      0.788774 20.4584      1.1061   19.9144      1.12513  4.51225  0.122566  4.45118  0.126386  
1 1 1 55 2  18 o 1.24281  0.25883   1.63736      0.622141 0.544403     0.845705 2.92651      0.918474 0.875647 0.338765  1.6887   0.271948  
1 1 1 55 2  19 o 1.55529  0.214845  2.45887      0.668293 2.15037      0.939097 2.77541      0.951237 1.41062  0.336995  1.61466  0.305676  
1 1 1 55 2  20 o 1.7451   0.18511   3.08634      0.646073 3.16692      0.923701 3.00917      0.903988 1.7559   0.263028  1.71142  0.264104  
1 1 1 55 2  21 o 2.48152  0.1402    6.20821      0.695815 6.09741      0.969795 6.32577      0.998913 2.44924  0.197979  2.49421  0.200246  
1 1 1 55 2  22 o 2.48795  0.140995  6.25162      0.701578 5.79744      0.96647  6.75756      1.02006  2.38343  0.202748  2.57441  0.198115  
1 1 1 55 2  23 o 3.3681   0.11644   11.4293      0.784365 10.3439      1.08473  12.6187      1.13553  3.19066  0.169985  3.52695  0.160979  
1 1 1 55 2  24 o 0.614092 0.278926  -0.376619    0.744995 -0.128277    1.11602  -0.576237    1.00057  0.811543 0.356765  0.695317 0.318056  
1 1 1 55 2  25 o 2.34615  0.173288  5.61328      0.813118 5.80277      1.17585  5.43963      1.12564  2.36098  0.249017  2.28696  0.2461    
1 1 1 55 2  26 o 1.97667  0.201473  4.02591      0.796491 3.83319      1.1237   4.22051      1.12914  1.89672  0.296222  1.99564  0.282902  
1 1 1 55 2  27 o 2.51972  0.172549  6.4957       0.869551 6.13173      1.13942  7.00332      1.34561  2.42477  0.234953  2.57906  0.260871  
1 1 1 55 2  28 o 2.87216  0.148489  8.40994      0.852967 8.85439      1.1891   7.93884      1.22422  2.92257  0.203433  2.7581   0.221933  
1 1 1 55 2  29 o 1.3973   0.304788  2.21781      0.828163 3.11347      1.21782  1.44728      1.12955  1.61283  0.382782  1.12875  0.399312  
1 1 1 55 2  30 o 1.29855  0.314084  1.95799      0.807979 2.92417      1.15115  1.01982      1.13434  1.55342  0.374376  1.00792  0.391842  
1 1 1 55 2  31 o 1.07091  0.336393  1.3675       0.801531 0.963676     1.11348  1.80178      1.15471  0.976428 0.38599   1.1948   0.405115  
1 1 1 55 2  32 o 0.886704 0.336207  0.8539       0.820907 1.83646      1.17129  -0.0946896   1.15086  1.17006  0.407331  0.765351 0.347376  
1 1 1 55 2  33 o 2.33205  0.189243  5.83459      0.882649 4.75717      1.23809  6.94814      1.25867  1.99397  0.310458  2.47804  0.253965  
1 1 1 55 2  34 o 0.676259 0.306405  0.00161209   0.89099  1.0955       1.26864  -1.06313     1.25163  0.933739 0.394595  0.647937 0.313546  
1 1 1 55 2  35 o 0.68971  0.3128    0.106045     0.930759 -0.507843    1.35933  0.647902     1.2771   0.708814 0.339258  0.83315  0.372595  
1 1 1 55 2  36 f 0.938303 0.378491  1.583        1.0959   0.625887     1.47934  2.74709      1.63148  0.787467 0.369393  1.06113  0.447908  
1 1 1 55 2  37 o 0.759566 0.343565  0.873895     1.1155   -0.827414    1.586    2.53942      1.56924  0.644375 0.320059  0.957983 0.422067  
1 1 1 55 3  0  o 3.96761  0.106793  15.7892      0.846038 15.7892      0.846038 15.7892      0.846038 3.97059  0.0753951 ?        ?         
1 1 1 55 3  1  o 0.923136 0.258513  0.884915     0.496088 1.04013      0.703147 0.731086     0.700013 1.01383  0.314397  0.899882 0.314742  
1 1 1 55 3  2  o 7.17448  0.0702886 51.5108      1.00857  50.5756      1.36728  52.6271      1.49376  7.10675  0.096196  7.24871  0.103036  
1 1 1 55 3  3  o 5.1454   0.0705611 26.4949      0.72613  27.079       1.00907  25.8677      1.04572  5.20004  0.0970249 5.08196  0.102886  
1 1 1 55 3  4  o 7.86174  0.071243  61.855       1.12019  61.7642      1.55931  61.9518      1.61029  7.85303  0.0992811 7.86457  0.102376  
1 1 1 55 3  5  o 5.04794  0.0724804 25.5029      0.731754 25.0519      1.03322  25.9567      1.0365   5.00093  0.103303  5.09057  0.101806  
1 1 1 55 3  6  o 9.2105   0.08033   84.9233      1.47976  85.204       2.09629  84.6445      2.08912  9.22073  0.113673  9.19041  0.113658  
1 1 1 55 3  7  o 5.42834  0.071311  29.4927      0.774201 29.5071      1.15177  29.4809      1.04567  5.42674  0.10612   5.42526  0.096371  
1 1 1 55 3  8  o 5.85018  0.0719785 34.2567      0.842175 36.0634      1.24391  32.7277      1.14434  5.99943  0.103669  5.71561  0.100107  
1 1 1 55 3  9  o 4.22597  0.0813358 17.8813      0.687445 19.427       1.06673  16.7834      0.89903  4.40145  0.121179  4.09206  0.109851  
1 1 1 55 3  10 o 3.40471  0.0924159 11.6119      0.629298 10.8166      0.922344 12.3044      0.860767 3.28241  0.140498  3.5025   0.122879  
1 1 1 55 3  11 o 4.68143  0.082015  21.9465      0.767894 21.3208      1.1369   22.4714      1.04132  4.61019  0.123303  4.73448  0.109972  
1 1 1 55 3  12 o 5.76748  0.0756656 33.306       0.872799 33.4466      1.26141  33.1768      1.20891  5.77572  0.1092    5.75294  0.105069  
1 1 1 55 3  13 o 4.22082  0.0861492 17.847       0.72724  18.8761      1.0744   16.9768      0.987972 4.33669  0.123873  4.11319  0.120098  
1 1 1 55 3  14 o 5.73994  0.0829469 33.007       0.952221 33.1187      1.3465   32.8953      1.34679  5.74451  0.117199  5.72503  0.117623  
1 1 1 55 3  15 o 1.88281  0.154801  3.56932      0.582924 3.84152      0.824129 3.2968       0.824629 1.94762  0.211573  1.80235  0.228765  
1 1 1 55 3  16 o 0.670735 0.273773  0.180553     0.581641 0.620551     0.824507 -0.255321    0.820635 0.893584 0.337492  0.680904 0.301923  
1 1 1 55 3  17 o 2.61443  0.123057  6.86982      0.643447 6.52391      0.905976 7.22189      0.91402  2.54058  0.178301  2.67419  0.170897  
1 1 1 55 3  18 o 2.80294  0.120162  7.89736      0.673614 7.81964      0.957157 7.97364      0.948176 2.78147  0.172059  2.8093   0.168757  
1 1 1 55 3  19 o 4.34298  0.0926836 18.9213      0.805045 19.8068      1.14693  18.0615      1.13027  4.4367   0.129255  4.23586  0.133416  
1 1 1 55 3  20 o 4.08039  0.0983121 16.7138      0.802303 16.5556      1.09799  16.895       1.17519  4.05397  0.135422  4.09346  0.143545  
1 1 1 55 3  21 o 1.42889  0.230549  2.09209      0.658858 2.30669      0.915277 1.86129      0.94918  1.45757  0.322552  1.30436  0.354592  
1 1 1 55 3  22 o 1.30562  0.267037  1.82544      0.673225 2.29424      0.934398 1.3194       0.970813 1.44857  0.329813  1.12414  0.371458  
1 1 1 55 3  23 o 0.652764 0.282858  -0.0420239   0.681596 -0.514439    0.94908  0.461143     0.979482 0.684044 0.311796  0.884856 0.357455  
1 1 1 55 3  24 o 0.598944 0.274814  -0.484876    0.753403 -0.837672    1.12291  -0.196039    1.01604  0.706906 0.32868   0.761845 0.337118  
1 1 1 55 3  25 o 0.976242 0.327556  0.988566     0.754897 0.234171     1.06975  1.73688      1.06543  0.857477 0.362356  1.24545  0.387164  
1 1 1 55 3  26 o 1.69965  0.233801  3.00825      0.794759 2.8265       1.13762  3.18153      1.11078  1.5752   0.367481  1.68658  0.341224  
1 1 1 55 3  27 o 0.76789  0.319465  0.254331     0.810849 1.21039      1.0727   -1.02015     1.23852  1.08063  0.388443  0.718233 0.33711   
1 1 1 55 3  28 o 2.29493  0.181352  5.42958      0.832381 6.3861       1.1789   4.47866      1.17544  2.46166  0.239452  2.03819  0.288354  
1 1 1 55 3  29 o 1.29252  0.31353   1.92488      0.803339 1.16384      1.15825  2.63034      1.11516  1.05333  0.399366  1.4782   0.376164  
1 1 1 55 3  30 o 1.03548  0.336839  1.23777      0.798294 0.225297     1.10108  2.35972      1.15907  0.831304 0.359858  1.37433  0.398524  
1 1 1 55 3  31 o 2.30459  0.181472  5.58167      0.836434 5.26042      1.15916  5.93064      1.20815  2.17724  0.266201  2.3164   0.260782  
1 1 1 55 3  32 o 0.536975 0.258089  -0.904597    0.807608 -0.457207    1.13908  -1.35681     1.1452   0.710833 0.330711  0.614992 0.2981    
1 1 1 55 3  33 o 0.881344 0.337185  0.903713     0.83181  1.62985      1.17861  0.183113     1.17411  1.07939  0.40444   0.791449 0.355514  
1 1 1 55 3  34 o 0.63784  0.295994  -0.252528    0.905061 -0.652173    1.27787  0.149735     1.28204  0.690237 0.330022  0.782618 0.358838  
1 1 1 55 3  35 o 0.649166 0.30161   -0.0854473   0.943333 -0.286409    1.34308  0.11021      1.32524  0.709095 0.338871  0.747221 0.350354  
1 1 1 55 3  36 o 1.03026  0.39181   1.97795      1.11766  1.97445      1.46147  1.9829       1.73461  0.968489 0.416852  0.943633 0.427538  
1 1 1 55 3  37 o 0.791116 0.356046  1.2372       1.18318  2.02952      1.63312  0.36184      1.71655  0.847412 0.394922  0.708303 0.348776  
1 1 1 55 4  0  o 6.6179   0.102863  43.8641      1.36074  43.8641      1.36074  43.8641      1.36074  6.62043  0.0726877 ?        ?         
1 1 1 55 4  1  o 6.41985  0.0690441 41.245       0.886506 40.0393      1.21901  42.5985      1.29155  6.32305  0.0963943 6.52174  0.0990187 
1 1 1 55 4  2  o 3.91251  0.0748529 15.3212      0.585725 15.6747      0.834808 14.9784      0.822021 3.95564  0.105521  3.86673  0.106294  
1 1 1 55 4  3  o 1.59314  0.155762  2.54792      0.496302 2.39983      0.676578 2.72044      0.730243 1.54317  0.219217  1.64285  0.222249  
1 1 1 55 4  4  o 2.59285  0.104323  6.73488      0.54099  7.3305       0.776931 6.17427      0.753747 2.70288  0.143723  2.48008  0.15196   
1 1 1 55 4  5  o 5.68437  0.0703052 32.3391      0.799282 34.389       1.18812  30.6445      1.08027  5.85908  0.101392  5.53125  0.0976515 
1 1 1 55 4  6  o 4.1112   0.0763652 16.9193      0.627905 16.6552      0.934015 17.1371      0.848164 4.07635  0.114565  4.13584  0.102538  
1 1 1 55 4  7  o 2.9239   0.0875948 8.56119      0.512236 9.01577      0.753279 8.17019      0.698627 2.99828  0.125618  2.85443  0.122376  
1 1 1 55 4  8  o 1.26924  0.184735  1.62151      0.468945 1.9359       0.684629 1.34363      0.643644 1.36061  0.260895  1.12856  0.284941  
1 1 1 55 4  9  o 0.70753  0.258327  0.411679     0.476043 0.300306     0.688893 0.513468     0.658583 0.756435 0.302157  0.811235 0.302649  
1 1 1 55 4  10 o 9.40227  0.0806464 88.5222      1.51652  88.0485      2.20056  88.9506      2.09285  9.37009  0.117425  9.41938  0.111093  
1 1 1 55 4  11 o 4.22029  0.0791933 17.8353      0.668438 16.9246      0.96377  18.6794      0.927878 4.10781  0.117309  4.31655  0.107479  
1 1 1 55 4  12 o 7.3621   0.0806375 54.2834      1.18732  52.84        1.74676  55.523       1.61879  7.25677  0.120354  7.44104  0.108774  
1 1 1 55 4  13 o 2.97265  0.108842  8.86356      0.6471   8.45244      0.959314 9.2068       0.876552 2.89716  0.165561  3.02616  0.144829  
1 1 1 55 4  14 o 1.82647  0.168679  3.36261      0.616177 4.30605      0.925542 2.6116       0.825778 2.0607   0.224569  1.60131  0.257844  
1 1 1 55 4  15 o 1.8848   0.155747  3.57823      0.587107 4.23389      0.835404 2.93837      0.825277 2.045    0.204256  1.69933  0.242824  
1 1 1 55 4  16 o 1.0777   0.269266  1.23456      0.579324 1.20554      0.854997 1.25919      0.78771  1.08516  0.348222  1.09646  0.331322  
1 1 1 55 4  17 o 4.12365  0.094054  17.058       0.775692 16.6481      1.07593  17.5016      1.11935  4.06751  0.132259  4.17009  0.134211  
1 1 1 55 4  18 o 3.31312  0.109986  11.0243      0.728794 10.8562      1.04204  11.1852      1.01967  3.27995  0.158849  3.33036  0.153087  
1 1 1 55 4  19 o 0.711595 0.28677   0.255214     0.628271 0.478856     0.890652 0.033713     0.886381 0.871203 0.344954  0.764738 0.326744  
1 1 1 55 4  20 o 1.54885  0.211966  2.44284      0.656605 2.4655       0.909    2.41811      0.949481 1.51495  0.3107    1.49539  0.326491  
1 1 1 55 4  21 o 1.55649  0.207467  2.47474      0.645839 2.71328      0.897344 2.21838      0.930255 1.59113  0.29296   1.42441  0.332308  
1 1 1 55 4  22 o 3.27565  0.118589  10.8114      0.77691  10.4992      1.07482  11.153       1.12429  3.21599  0.167105  3.31385  0.169634  
1 1 1 55 4  23 o 2.02888  0.184034  4.19845      0.746765 3.95902      1.04499  4.44833      1.06754  1.94887  0.268103  2.06891  0.257996  
1 1 1 55 4  24 o 2.86487  0.140602  8.31156      0.805613 9.03811      1.15043  7.61242      1.12851  2.97056  0.193639  2.7215   0.207332  
1 1 1 55 4  25 o 1.15589  0.323963  1.48491      0.778764 1.24876      1.10337  1.71932      1.09931  1.10308  0.394211  1.23745  0.394627  
1 1 1 55 4  26 o 1.25901  0.31948   1.77135      0.806095 1.61055      1.11273  1.94895      1.16936  1.2032   0.397682  1.30378  0.405672  
1 1 1 55 4  27 f 1.43342  0.306636  2.29485      0.853498 2.63911      1.15569  1.88183      1.26587  1.5031   0.383202  1.2748   0.424166  
1 1 1 55 4  28 o 2.86387  0.151408  8.39421      0.867222 6.88736      1.16526  10.2651      1.29839  2.55775  0.227789  3.1363   0.206995  
1 1 1 55 4  29 o 0.972952 0.337467  1.04096      0.803324 1.08551      1.11686  0.993207     1.15631  1.0244   0.39106   1.00802  0.394849  
1 1 1 55 4  30 o 2.74098  0.159702  7.7714       0.87548  7.42383      1.24444  8.112        1.23189  2.62663  0.236889  2.75642  0.223457  
1 1 1 55 4  31 o 2.53765  0.166877  6.73345      0.846951 6.74113      1.17408  6.72511      1.22295  2.48426  0.236304  2.47126  0.247435  
1 1 1 55 4  32 o 1.1505   0.340206  1.67475      0.836696 1.6922       1.17292  1.65667      1.1939   1.1241   0.405972  1.1142   0.408876  
1 1 1 55 4  33 o 1.57489  0.290942  3.02551      0.881943 3.60972      1.27414  2.48813      1.22201  1.59392  0.399985  1.28585  0.416674  
1 1 1 55 4  34 o 1.58481  0.309993  3.22391      0.947514 3.20566      1.36751  3.24077      1.31406  1.39301  0.439727  1.42449  0.427429  
1 1 1 55 4  35 o 0.866098 0.352666  1.12756      0.962839 0.084668     1.30538  2.37194      1.42591  0.730312 0.343599  1.07537  0.43258   
1 1 1 55 4  36 o 0.722534 0.3287    0.420622     1.04361  1.50711      1.43929  -0.783866    1.51544  0.897099 0.398557  0.671798 0.329801  
1 1 1 55 5  0  o 1.02928  0.376507  1.42321      0.712517 1.42321      0.712517 1.42321      0.712517 1.10962  0.261617  ?        ?         
1 1 1 55 5  1  o 6.40637  0.0697496 41.0748      0.893682 40.2126      1.22417  42.0586      1.30767  6.33638  0.0965987 6.47972  0.100905  
1 1 1 55 5  2  o 1.05386  0.240466  1.16569      0.495834 1.02551      0.669655 1.33581      0.737703 1.00243  0.306005  1.12964  0.314885  
1 1 1 55 5  3  f 3.41341  0.0863398 11.6663      0.589426 11.7361      0.831796 11.5958      0.835365 3.42143  0.121557  3.40083  0.122818  
1 1 1 55 5  4  f 3.60153  0.0833524 12.9869      0.600393 13.7806      0.876632 12.2857      0.823981 3.70764  0.11822   3.50081  0.117684  
1 1 1 55 5  5  o 8.01886  0.0753386 64.3681      1.20826  63.9393      1.71959  64.7863      1.69809  7.98781  0.107638  8.04086  0.105591  
1 1 1 55 5  6  o 12.5507  0.0931169 157.776      2.33737  156.589      3.2999   158.971      3.31121  12.4932  0.132068  12.588   0.131523  
1 1 1 55 5  7  o 3.08771  0.0864449 9.54781      0.533833 9.68991      0.786291 9.4263       0.727088 3.10803  0.126493  3.06604  0.118571  
1 1 1 55 5  8  o 1.76888  0.13382   3.1402       0.473422 3.74417      0.676931 2.56198      0.662346 1.92904  0.175458  1.59373  0.207797  
1 1 1 55 5  9  o 5.13976  0.0715647 26.4453      0.73565  24.9864      1.03872  27.9134      1.04202  4.99306  0.104016  5.27801  0.0987137 
1 1 1 55 5  10 o 3.08008  0.0904361 9.50378      0.5571   10.4593      0.837756 8.74627      0.745932 3.2282   0.129756  2.95231  0.12633   
1 1 1 55 5  11 o 5.51575  0.0746925 30.463       0.823971 30.328       1.15568  30.6026      1.1751   5.50004  0.105061  5.52471  0.10635   
1 1 1 55 5  12 o 8.00737  0.0850908 64.235       1.36271  64.936       1.90398  63.4988      1.9512   8.04414  0.118346  7.95359  0.122662  
1 1 1 55 5  13 o 8.52236  0.0980237 72.8232      1.67079  73.174       2.2965   72.4287      2.4353   8.53308  0.134565  8.48665  0.143478  
1 1 1 55 5  14 o 2.2603   0.133983  5.13581      0.605685 4.42741      0.922236 5.67313      0.803187 2.0894   0.220694  2.37197  0.169308  
1 1 1 55 5  15 o 2.07259  0.152455  4.3268       0.631954 4.6949       0.932558 4.01423      0.859358 2.15094  0.216779  1.98902  0.216026  
1 1 1 55 5  16 o 1.71133  0.1744    2.95897      0.596913 3.23758      0.886712 2.72808      0.807204 1.78045  0.249013  1.63465  0.246904  
1 1 1 55 5  17 o 6.17888  0.10243   38.3226      1.2658   41.1982      1.7977   35.495       1.78263  6.39574  0.140539  5.93356  0.150216  
1 1 1 55 5  18 o 1.58655  0.208599  2.55785      0.661905 2.70114      0.886613 2.37744      0.99486  1.59611  0.2883    1.48208  0.342282  
1 1 1 55 5  19 o 1.92607  0.168076  3.75155      0.647451 4.17391      0.902822 3.30434      0.929007 2.0229   0.22315   1.79381  0.258948  
1 1 1 55 5  20 o 1.5126   0.209749  2.33403      0.634534 3.16099      0.876013 1.42122      0.920361 1.75305  0.249855  1.15548  0.359971  
1 1 1 55 5  21 o 2.0207   0.171834  4.14444      0.69445  4.07387      0.98701  4.21363      0.977263 1.98751  0.248304  2.02296  0.241543  
1 1 1 55 5  22 o 0.549663 0.255859  -0.571784    0.682914 -1.32276     0.977706 0.143656     0.954293 0.591067 0.284059  0.805825 0.34147   
1 1 1 55 5  23 o 1.5203   0.242818  2.39419      0.738311 2.03939      1.07706  2.7087       1.01405  1.34756  0.382061  1.56701  0.333519  
1 1 1 55 5  24 o 1.80819  0.209123  3.36557      0.756268 3.82023      1.05883  2.89206      1.08055  1.90573  0.277801  1.61055  0.345433  
1 1 1 55 5  25 o 1.30338  0.302081  1.87935      0.772716 2.10105      1.07273  1.64026      1.11401  1.35468  0.380398  1.21345  0.397912  
1 1 1 55 5  26 f 1.27371  0.310813  1.8098       0.785881 2.26509      1.05871  1.25106      1.17284  1.40457  0.371219  1.10882  0.405415  
1 1 1 55 5  27 o 0.983995 0.338244  1.01974      0.805478 1.94894      1.13763  0.085677     1.14061  1.29219  0.399741  0.840754 0.365136  
1 1 1 55 5  28 o 3.72853  0.123466  14.1341      0.920693 15.6005      1.28582  12.5912      1.31892  3.89188  0.165193  3.48048  0.189474  
1 1 1 55 5  29 o 0.999386 0.33521   1.12714      0.790592 0.874794     1.08596  1.41171      1.1532   0.966323 0.381444  1.10863  0.402332  
1 1 1 55 5  30 o 0.499143 0.243211  -1.21365     0.783649 -3.08809     1.11394  0.62298      1.10264  0.491127 0.247534  0.900905 0.373528  
1 1 1 55 5  31 o 1.07174  0.338735  1.42103      0.811309 2.05381      1.13442  0.758513     1.16077  1.23897  0.401462  0.917381 0.38198   
1 1 1 55 5  32 o 2.24896  0.195003  5.43525      0.87711  5.81054      1.2202   5.03399      1.26169  2.25341  0.270745  2.0617   0.305981  
1 1 1 55 5  33 o 0.514979 0.251704  -1.18534     0.86139  -0.227477    1.24812  -2.05654     1.19032  0.736583 0.344037  0.556473 0.276518  
1 1 1 55 5  34 o 1.14869  0.366276  1.93909      0.947054 1.32967      1.33179  2.56253      1.34701  0.958418 0.404625  1.22023  0.435617  
1 1 1 55 5  35 o 0.683751 0.314981  0.169662     1.00087  -1.53841     1.33554  2.35785      1.51163  0.592604 0.294256  1.03521  0.433771  
1 1 1 55 5  36 o 0.643743 0.306888  -0.149928    1.0844   -0.325679    1.4529   0.0711107    1.62937  0.684048 0.332883  0.733255 0.355471  
1 1 1 55 6  0  o 0.53058  0.330616  0.215568     0.691004 0.215568     0.691004 0.215568     0.691004 0.468029 0.28479   ?        ?         
1 1 1 55 6  1  o 0.979705 0.248486  1.00801      0.48782  0.647238     0.686595 1.37577      0.693215 0.866161 0.310827  1.14287  0.299618  
1 1 1 55 6  2  o 4.03222  0.0754173 16.2755      0.608199 15.9419      0.83415  16.6541      0.888683 3.98879  0.104562  4.07656  0.108999  
1 1 1 55 6  3  o 2.32089  0.115465  5.39969      0.535963 5.49908      0.794835 5.31682      0.725794 2.33882  0.169922  2.30057  0.157742  
1 1 1 55 6  4  f 6.45144  0.0707453 41.6601      0.912818 41.9176      1.33237  41.4322      1.25311  6.46796  0.102998  6.43107  0.0974263 
1 1 1 55 6  5  o 6.43776  0.070903  41.4849      0.912913 42.1555      1.28052  40.7917      1.30185  6.48665  0.0987041 6.38046  0.102019  
1 1 1 55 6  6  o 4.35274  0.072291  18.966       0.629328 19.9696      0.931168 18.1222      0.853858 4.46393  0.104299  4.25278  0.100388  
1 1 1 55 6  7  o 5.27192  0.0697921 27.8207      0.735877 27.9736      1.06595  27.6815      1.01714  5.28357  0.100874  5.25635  0.0967532 
1 1 1 55 6  8  o 1.33477  0.176234  1.7932       0.470465 1.73986      0.66639  1.8462       0.664289 1.28604  0.267909  1.32758  0.259442  
1 1 1 55 6  9  o 3.22988  0.0870115 10.4494      0.562073 10.94        0.822024 10.0186      0.770279 3.302    0.124474  3.16012  0.121875  
1 1 1 55 6  10 o 3.28366  0.0850601 10.8005      0.558617 10.2317      0.786555 11.3794      0.793497 3.19309  0.123165  3.36793  0.117802  
1 1 1 55 6  11 o 3.87329  0.0872818 15.0309      0.676135 14.0103      0.927033 16.1908      0.988305 3.73588  0.124071  4.01622  0.123039  
1 1 1 55 6  12 o 6.61455  0.08288   43.8341      1.09643  43.7882      1.55752  43.8793      1.54374  6.60489  0.117906  6.612    0.116738  
1 1 1 55 6  13 f 3.19206  0.0975389 10.2172      0.622701 12.2136      0.902091 8.40011      0.860634 3.48645  0.129371  2.88913  0.148943  
1 1 1 55 6  14 o 0.588682 0.252897  -0.0262126   0.536089 0.220504     0.795242 -0.231721    0.725798 0.774574 0.318796  0.640244 0.283912  
1 1 1 55 6  15 o 1.48569  0.203045  2.23722      0.603326 2.91423      0.941407 1.76534      0.785946 1.68534  0.279292  1.28336  0.309372  
1 1 1 55 6  16 o 5.68594  0.102229  32.452       1.16253  33.6471      1.59416  31.0946      1.69897  5.78069  0.137887  5.5527   0.152986  
1 1 1 55 6  17 o 3.65082  0.108716  13.3848      0.793806 12.7981      1.05325  14.1562      1.20778  3.56342  0.147786  3.74494  0.161254  
1 1 1 55 6  18 o 3.18126  0.108807  10.1677      0.692288 9.86778      0.952699 10.5032      1.0077   3.12703  0.152333  3.2254   0.156213  
1 1 1 55 6  19 o 1.99291  0.161637  4.01422      0.644257 2.61842      0.874019 5.675        0.95338  1.56836  0.289519  2.36238  0.201784  
1 1 1 55 6  20 o 2.16845  0.152316  4.75663      0.660579 4.37981      0.928845 5.14227      0.939647 2.06708  0.224676  2.24338  0.209426  
1 1 1 55 6  21 o 3.26195  0.116855  10.7181      0.762352 10.5626      1.08175  10.8715      1.07454  3.22576  0.167673  3.27361  0.164122  
1 1 1 55 6  22 o 1.99456  0.1786    4.05255      0.712458 3.26141      0.991566 4.8969       1.02437  1.76559  0.280803  2.17787  0.235177  
1 1 1 55 6  23 o 1.96133  0.197233  3.94133      0.773678 4.97938      1.10819  2.95428      1.08062  2.18714  0.253343  1.63279  0.341924  
1 1 1 55 6  24 o 3.8621   0.11133   15.0482      0.859938 14.396       1.1972   15.7435      1.236    3.76031  0.159189  3.93326  0.157122  
1 1 1 55 6  25 o 1.58833  0.256947  2.6494       0.816235 3.42716      1.07862  1.60719      1.24861  1.76311  0.317461  1.21226  0.420701  
1 1 1 55 6  26 o 1.50759  0.283434  2.49287      0.823182 2.20075      1.1276   2.8262       1.20451  1.37266  0.391482  1.55568  0.388005  
1 1 1 55 6  27 o 1.22181  0.321427  1.69901      0.796062 2.9009       1.1264   0.499682     1.12521  1.58033  0.363697  0.911796 0.377643  
1 1 1 55 6  28 o 1.60494  0.256713  2.77321      0.82402  3.62987      1.11448  1.74015      1.22386  1.77971  0.32519   1.20555  0.41669   
1 1 1 55 6  29 o 1.39209  0.289012  2.20617      0.777785 1.10081      1.05471  3.52391      1.15157  1.01435  0.382093  1.72883  0.345267  
1 1 1 55 6  30 o 1.41828  0.296356  2.34275      0.813305 1.07688      1.13111  3.69778      1.17026  0.998929 0.39068   1.75033  0.346625  
1 1 1 55 6  31 o 1.08622  0.339736  1.47746      0.818712 2.1439       1.14258  0.774198     1.17372  1.25758  0.402446  0.917799 0.383254  
1 1 1 55 6  32 o 1.42324  0.303597  2.4849       0.838673 3.18614      1.17904  1.76669      1.19321  1.53032  0.385217  1.11844  0.408922  
1 1 1 55 6  33 o 1.67566  0.267975  3.35396      0.898069 4.34584      1.31614  2.48975      1.22851  1.74897  0.386578  1.25275  0.41786   
1 1 1 55 6  34 o 0.914577 0.355303  1.21422      0.932308 1.06706      1.33131  1.35584      1.30602  0.890311 0.390536  0.937935 0.39855   
1 1 1 55 6  35 o 0.657377 0.307697  0.0179331    1.00612  -1.06237     1.35847  1.33047      1.49738  0.623802 0.307239  0.868151 0.39462   
1 1 1 55 6  36 o 0.666096 0.317882  0.162698     1.17145  1.06446      1.52028  -1.15521     1.8379   0.773079 0.366197  0.647172 0.32493   
1 1 1 55 7  0  f 6.29188  0.0987379 39.6537      1.2418   39.6537      1.2418   39.6537      1.2418   6.2945   0.0697697 ?        ?         
1 1 1 55 7  1  o 5.75722  0.072275  33.1786      0.832206 33.0062      1.13039  33.3827      1.2297   5.7398   0.0984699 5.77153  0.106532  
1 1 1 55 7  2  o 3.1859   0.0894236 10.1656      0.56979  9.78073      0.833834 10.5027      0.780424 3.12207  0.133539  3.23627  0.120575  
1 1 1 55 7  3  o 7.53902  0.077601  56.9038      1.17007  57.7539      1.70504  56.1471      1.60863  7.59026  0.112318  7.48471  0.107461  
1 1 1 55 7  4  o 2.86053  0.0884485 8.19537      0.50602  9.01036      0.746236 7.50163      0.688488 2.99713  0.124492  2.73462  0.125884  
1 1 1 55 7  5  f 5.59957  0.0690357 31.3854      0.77314  31.2692      1.106    31.4964      1.08119  5.58638  0.0989909 5.60692  0.0964158 
1 1 1 55 7  6  o 6.14342  0.0694897 37.7792      0.853808 37.6082      1.22524  37.9406      1.19044  6.12627  0.0999992 6.15369  0.096726  
1 1 1 55 7  7  o 5.68972  0.0694448 32.406       0.790243 31.6074      1.11268  33.2187      1.12253  5.61626  0.0990591 5.75783  0.0974783 
1 1 1 55 7  8  o 9.05299  0.0786957 82.0689      1.42486  84.0813      2.08889  80.3179      1.94854  9.15648  0.114066  8.95035  0.108853  
1 1 1 55 7  9  o 4.20315  0.078298  17.6918      0.658196 17.117       0.951184 18.2199      0.911728 4.13088  0.115131  4.26279  0.10694   
1 1 1 55 7  10 o 4.21755  0.0802887 17.8163      0.677243 18.0614      0.966099 17.5796      0.949646 4.24303  0.113845  4.1861   0.113428  
1 1 1 55 7  11 o 3.64673  0.0890869 13.3272      0.649752 12.3228      0.897743 14.432       0.941602 3.50269  0.12815   3.79113  0.124185  
1 1 1 55 7  12 o 3.63164  0.0922072 13.2209      0.669727 12.9969      0.958927 13.4342      0.935772 3.59607  0.13333   3.65678  0.12795   
1 1 1 55 7  13 o 5.82054  0.0755379 33.9371      0.879343 34.4984      1.25166  33.39        1.23565  5.86347  0.106734  5.76844  0.107105  
1 1 1 55 7  14 f 4.59191  0.0829716 21.1323      0.761996 19.9305      1.09707  22.2524      1.05918  4.45337  0.123172  4.70756  0.112498  
1 1 1 55 7  15 o 3.9541   0.0959863 15.6856      0.759079 15.7984      1.10299  15.584       1.04626  3.96115  0.139226  3.93536  0.13293   
1 1 1 55 7  16 o 7.11802  0.107918  50.8779      1.53633  52.1535      2.19766  49.6586      2.14857  7.19143  0.152797  7.0172   0.153093  
1 1 1 55 7  17 o 2.69001  0.143943  7.29291      0.77442  8.13311      1.05394  6.30695      1.14171  2.83329  0.185992  2.48658  0.229574  
1 1 1 55 7  18 o 2.70749  0.127752  7.37839      0.691778 7.70715      0.975982 7.04646      0.980679 2.75883  0.176883  2.6362   0.186003  
1 1 1 55 7  19 o 1.88312  0.171476  3.59454      0.645821 3.81399      0.888228 3.3484       0.940685 1.92939  0.230183  1.80162  0.261066  
1 1 1 55 7  20 o 3.43173  0.111601  11.8512      0.765972 11.613       1.08134  12.0911      1.08517  3.38593  0.159681  3.45566  0.157013  
1 1 1 55 7  21 o 0.731667 0.297494  0.264377     0.68414  1.2419       1.02101  -0.53213     0.921641 1.1025   0.38064   0.669734 0.305894  
1 1 1 55 7  22 o 0.677316 0.286673  0.083052     0.671283 0.20902      0.943852 -0.0458871   0.954918 0.814526 0.342096  0.766433 0.333496  
1 1 1 55 7  23 o 0.886865 0.320543  0.733851     0.731341 0.0927421    1.02363  1.40233      1.04525  0.815577 0.349884  1.14546  0.385436  
1 1 1 55 7  24 o 0.589623 0.269373  -0.41362     0.71521  -0.54663     0.978642 -0.261142    1.04782  0.685411 0.313953  0.756897 0.33802   
1 1 1 55 7  25 o 2.02146  0.20689   4.22092      0.83644  4.66042      1.12727  3.68251      1.24769  2.10133  0.268227  1.8078   0.357813  
1 1 1 55 7  26 o 3.12692  0.135771  9.93616      0.84909  10.5251      1.19913  9.34391      1.20246  3.19515  0.187649  3.00433  0.200122  
1 1 1 55 7  27 o 2.33201  0.174328  5.61088      0.813068 6.69426      1.12235  4.41442      1.17948  2.52321  0.222405  2.0131   0.292951  
1 1 1 55 7  28 o 1.44218  0.296667  2.36595      0.826368 1.75231      1.13618  3.05516      1.2041   1.20354  0.401851  1.58515  0.383433  
1 1 1 55 7  29 o 1.74656  0.230037  3.26962      0.803544 4.02451      1.08166  2.33999      1.20035  1.90415  0.284029  1.35561  0.408871  
1 1 1 55 7  30 o 0.552961 0.261366  -0.688898    0.770712 -0.148252    1.04809  -1.32546     1.13727  0.73515  0.332745  0.621159 0.300292  
1 1 1 55 7  31 f 1.69066  0.253267  3.20729      0.856374 3.42612      1.19807  2.97868      1.22455  1.6249   0.375848  1.48217  0.402681  
1 1 1 55 7  32 o 1.38438  0.311632  2.41115      0.842008 2.36432      1.18869  2.45832      1.19288  1.26247  0.411032  1.28817  0.411106  
1 1 1 55 7  33 o 0.768495 0.333742  0.458739     0.952832 1.03124      1.36387  -0.0870909   1.33172  0.9187   0.399136  0.760231 0.355195  
1 1 1 55 7  34 o 1.00425  0.36616   1.63889      0.956135 1.88448      1.34277  1.3863       1.36179  1.00249  0.413704  0.913332 0.397845  
1 1 1 55 7  35 o 0.589482 0.284557  -0.601989    1.00834  -0.154728    1.34092  -1.18402     1.52966  0.699851 0.335445  0.650347 0.32118   
1 1 1 55 8  0  o 0.690978 0.379059  0.687054     0.740658 0.687054     0.740658 0.687054     0.740658 0.678488 0.330699  ?        ?         
1 1 1 55 8  1  o 5.90431  0.0734657 34.8988      0.86753  34.5603      1.20594  35.2618      1.24893  5.8726   0.102675  5.93158  0.105278  
1 1 1 55 8  2  o 6.67325  0.0720501 44.5791      0.961617 43.7902      1.38516  45.313       1.33604  6.61011  0.104776  6.72481  0.0993363 
1 1 1 55 8  3  o 5.23695  0.0692452 27.4525      0.725267 27.4176      1.02833  27.4871      1.02305  5.23105  0.0982914 5.23774  0.0976616 
1 1 1 55 8  4  o 0.873512 0.251808  0.790297     0.464083 0.208415     0.664976 1.34281      0.647979 0.719581 0.293057  1.12765  0.286612  
1 1 1 55 8  5  o 1.7567   0.135346  3.09789      0.475522 2.95925      0.674074 3.23524      0.670916 1.71333  0.196715  1.79212  0.187185  
1 1 1 55 8  6  f 1.53278  0.152501  2.36127      0.4675   2.07748      0.666468 2.63617      0.655947 1.43301  0.23254   1.61647  0.202895  
1 1 1 55 8  7  o 2.99504  0.0870887 8.98564      0.521668 9.06813      0.753443 8.90968      0.722998 3.00602  0.125322  2.97998  0.121309  
1 1 1 55 8  8  o 7.07659  0.0727729 50.141       1.02997  49.5683      1.48149  50.6767      1.43292  7.03124  0.10535   7.11021  0.100765  
1 1 1 55 8  9  o 4.84541  0.0763545 23.5125      0.739937 23.9275      1.06277  23.122       1.03082  4.88432  0.108794  4.8016   0.107342  
1 1 1 55 8  10 o 6.9055   0.0801284 47.7689      1.10665  48.2293      1.57341  47.3181      1.55681  6.93276  0.113476  6.86698  0.113355  
1 1 1 55 8  11 o 5.18155  0.0813986 26.8991      0.843541 27.134       1.21168  26.6782      1.17506  5.19906  0.116529  5.15564  0.113959  
1 1 1 55 8  12 o 3.89633  0.0859661 15.215       0.669904 14.6866      0.964676 15.7072      0.930997 3.82323  0.12616   3.95505  0.117697  
1 1 1 55 8  13 o 1.18435  0.241043  1.47829      0.551135 0.895088     0.802701 1.99842      0.758058 0.972295 0.337327  1.37143  0.285775  
1 1 1 55 8  14 o 2.38599  0.128927  5.72541      0.615237 5.30167      0.906603 6.08714      0.837636 2.28702  0.198206  2.45486  0.170608  
1 1 1 55 8  15 f 6.23163  0.0938555 38.9564      1.16975  38.7752      1.59802  39.1655      1.71692  6.20837  0.128698  6.23686  0.137643  
1 1 1 55 8  16 o 1.87994  0.165242  3.5695       0.621289 3.50189      0.873216 3.63882      0.884158 1.85244  0.235694  1.88856  0.234082  
1 1 1 55 8  17 f 3.57199  0.103846  12.8137      0.741872 11.725       1.08786  13.7602      1.01433  3.40696  0.159652  3.69567  0.137232  
1 1 1 55 8  18 o 0.747491 0.288893  0.392528     0.614703 0.896014     0.884623 -0.0775679   0.854787 0.984943 0.352879  0.727108 0.315942  
1 1 1 55 8  19 o 0.741609 0.292304  0.354087     0.636825 0.234744     0.913116 0.467107     0.888599 0.814667 0.338975  0.862158 0.343551  
1 1 1 55 8  20 o 3.13276  0.122575  9.89351      0.767994 10.4088      1.08766  9.3812       1.08456  3.20143  0.169872  3.03686  0.178566  
1 1 1 55 8  21 o 1.60659  0.208657  2.64686      0.670452 3.19132      0.950277 2.10723      0.94606  1.74901  0.271661  1.37855  0.343892  
1 1 1 55 8  22 o 2.54094  0.148991  6.54637      0.757154 7.33731      1.07377  5.76419      1.06781  2.67477  0.200722  2.36289  0.225954  
1 1 1 55 8  23 o 1.1709   0.30463   1.51387      0.720084 0.884703     1.01205  2.15894      1.02477  0.991799 0.37411   1.38043  0.365396  
1 1 1 55 8  24 o 0.667253 0.291964  -0.0750713   0.74027  -0.17234     0.969592 0.0608685    1.14624  0.742379 0.328809  0.845598 0.36662   
1 1 1 55 8  25 o 2.30007  0.178084  5.42905      0.819211 6.42761      1.13856  4.35717      1.17961  2.48194  0.229368  2.01742  0.292357  
1 1 1 55 8  26 o 1.29923  0.309361  1.9004       0.793429 2.89138      1.12349  0.914376     1.12068  1.58177  0.362682  1.00557  0.389775  
1 1 1 55 8  27 o 1.39942  0.298242  2.21966      0.809975 3.31601      1.13987  1.10148      1.15117  1.68542  0.34985   1.03895  0.396903  
1 1 1 55 8  28 o 0.868798 0.329854  0.719785     0.791041 0.131702     1.11872  1.30783      1.11868  0.821869 0.359273  1.07789  0.395765  
1 1 1 55 8  29 o 0.719927 0.307207  0.193133     0.781795 -0.0167757   1.03564  0.471228     1.19204  0.761358 0.338187  0.888917 0.37933   
1 1 1 55 8  30 o 0.591642 0.274329  -0.419789    0.775364 -1.00823     1.03566  0.330647     1.16957  0.614718 0.294679  0.839085 0.367068  
1 1 1 55 8  31 o 0.724167 0.311225  0.248043     0.81245  1.31747      1.13819  -0.86291     1.16008  1.02362  0.393626  0.66502  0.317122  
1 1 1 55 8  32 o 1.97112  0.224241  4.38153      0.884011 3.4549       1.21596  5.42033      1.28746  1.55695  0.39077   2.09103  0.307853  
1 1 1 55 8  33 o 0.636494 0.296249  -0.253358    0.915272 -1.02195     1.24828  0.640312     1.34602  0.642618 0.311408  0.849981 0.381257  
1 1 1 55 8  34 o 1.01281  0.383826  1.81283      1.06946  1.54019      1.4572   2.13113      1.5745   0.916644 0.404913  0.995237 0.430565  
1 1 1 55 8  35 o 0.759924 0.343711  0.670457     1.11633  0.924515     1.42986  0.273856     1.7865   0.809488 0.374262  0.767847 0.372233  
1 1 1 55 9  0  o 3.61828  0.117858  13.1525      0.850832 13.1525      0.850832 13.1525      0.850832 3.62248  0.0831399 ?        ?         
1 1 1 55 9  1  o 4.54688  0.0762667 20.6994      0.693552 20.6939      1.01647  20.7041      0.948691 4.54314  0.111869  4.54502  0.104366  
1 1 1 55 9  2  o 4.97201  0.0745891 24.7499      0.741715 25.1925      1.08247  24.3582      1.01835  5.01309  0.107964  4.9299   0.103284  
1 1 1 55 9  3  o 3.22194  0.0846562 10.3968      0.545514 10.3843      0.784027 10.4085      0.759504 3.2174   0.121842  3.22147  0.117881  
1 1 1 55 9  4  o 4.41441  0.0723117 19.5093      0.638427 19.0554      0.911789 19.9458      0.894213 4.36008  0.104561  4.46121  0.100221  
1 1 1 55 9  5  o 6.26323  0.0724588 39.2743      0.907651 39.2138      1.32867  39.3272      1.24285  6.2542   0.106223  6.26425  0.0992015 
1 1 1 55 9  6  o 5.82814  0.0695379 34.0055      0.810554 33.1002      1.15557  34.8823      1.13724  5.74653  0.100545  5.89976  0.0963805 
1 1 1 55 9  7  o 4.88925  0.0735736 23.9363      0.71944  23.692       1.06152  24.1438      0.978435 4.86041  0.1092    4.90772  0.0996833 
1 1 1 55 9  8  o 3.58445  0.0814817 12.8702      0.584134 12.2876      0.824257 13.458       0.827936 3.49917  0.117779  3.66254  0.113027  
1 1 1 55 9  9  o 3.55169  0.0872701 12.6408      0.619913 12.906       0.899982 12.4014      0.855116 3.58483  0.125526  3.51451  0.121655  
1 1 1 55 9  10 o 3.57596  0.0900857 12.8172      0.644286 13.7517      0.943331 12           0.882068 3.69982  0.127483  3.45614  0.127609  
1 1 1 55 9  11 o 5.53591  0.0769681 30.7006      0.852177 29.9024      1.22247  31.4552      1.18857  5.45812  0.111986  5.59911  0.106139  
1 1 1 55 9  12 o 5.11685  0.0839044 26.2402      0.858652 28.3382      1.24393  24.3308      1.18672  5.3118   0.117092  4.92127  0.120571  
1 1 1 55 9  13 o 4.29241  0.0856269 18.4705      0.735092 18.3581      1.05098  18.5781      1.02853  4.27361  0.122962  4.29974  0.119604  
1 1 1 55 9  14 o 3.36958  0.103218  11.3977      0.695604 12.004       1.01578  10.8624      0.954538 3.45114  0.147166  3.28325  0.145365  
1 1 1 55 9  15 o 2.74099  0.119807  7.55152      0.65678  7.5764       0.928782 7.52664      0.928873 2.73834  0.169588  2.72924  0.170171  
1 1 1 55 9  16 o 5.29882  0.0902301 28.1668      0.956226 29.3527      1.34937  26.9704      1.35526  5.40138  0.12491   5.176    0.130918  
1 1 1 55 9  17 o 0.595508 0.259941  -0.0942958   0.583856 -0.735454    0.834266 0.521179     0.817387 0.603473 0.281635  0.85764  0.332788  
1 1 1 55 9  18 o 1.20796  0.279763  1.5712       0.663138 1.9272       1.02966  1.31888      0.866851 1.32395  0.37298   1.1149   0.349756  
1 1 1 55 9  19 o 3.21087  0.114444  10.3785      0.734933 8.55316      1.02432  12.3152      1.05507  2.90158  0.17651   3.48898  0.1512    
1 1 1 55 9  20 o 1.69273  0.197722  2.92936      0.669381 3.97579      0.921966 1.76285      0.973424 1.96313  0.234821  1.26271  0.364912  
1 1 1 55 9  21 o 0.884738 0.305239  0.76972      0.656468 1.19182      0.916314 0.324621     0.940947 1.07057  0.360881  0.839473 0.346354  
1 1 1 55 9  22 o 1.20648  0.298613  1.59901      0.717589 2.18677      1.00393  0.985043     1.02608  1.39464  0.35811   1.02439  0.378642  
1 1 1 55 9  23 o 3.22676  0.127459  10.5382      0.822558 11.0381      1.14904  10.0128      1.17805  3.2852   0.174881  3.12326  0.188593  
1 1 1 55 9  24 o 2.42323  0.171882  6.00515      0.833019 6.38176      1.1325   5.56117      1.22962  2.47698  0.228604  2.29582  0.267795  
1 1 1 55 9  25 o 2.17798  0.188989  4.89211      0.82323  6.21854      1.12136  3.34154      1.21241  2.43793  0.229983  1.70459  0.366164  
1 1 1 55 9  26 o 2.98402  0.142413  9.08697      0.849923 9.14172      1.15832  9.02312      1.25097  2.96731  0.19518   2.93773  0.212914  
1 1 1 55 9  27 o 2.17542  0.190248  4.9366       0.827735 5.25603      1.13022  4.56707      1.21563  2.20825  0.255909  2.03172  0.299161  
1 1 1 55 9  28 o 1.63151  0.245487  2.87235      0.801027 2.69777      1.16069  3.03112      1.10687  1.4747   0.388199  1.58928  0.356982  
1 1 1 55 9  29 o 1.13945  0.33609   1.5775       0.817569 2.33598      1.10764  0.669642     1.21181  1.34812  0.389147  0.922815 0.387604  
1 1 1 55 9  30 o 0.580902 0.272614  -0.568069    0.808926 -0.168598    1.10507  -1.02923     1.18734  0.740528 0.337248  0.660586 0.31639   
1 1 1 55 9  31 o 0.844574 0.332112  0.768198     0.820308 1.36999      1.19664  0.234694     1.1267   1.02084  0.40122   0.791843 0.352154  
1 1 1 55 9  32 f 0.748333 0.322     0.425088     0.871555 -0.0378472   1.17497  0.991398     1.29955  0.738126 0.340504  0.912011 0.392819  
1 1 1 55 9  33 o 0.703795 0.317523  0.199463     0.946767 0.76043      1.24575  -0.567601    1.45673  0.839745 0.372221  0.715731 0.344642  
1 1 1 55 9  34 o 0.947468 0.375646  1.60374      1.05747  1.4982       1.44911  1.72396      1.54663  0.892305 0.398029  0.918037 0.410308  
1 1 1 55 9  35 o 1.3522   0.400866  3.45963      1.16054  2.9692       1.45525  4.31647      1.92351  1.0663   0.433773  1.11928  0.479879  
1 1 1 55 10 0  o 2.76117  0.135324  7.69426      0.743209 7.69426      0.743209 7.69426      0.743209 2.76757  0.0951994 ?        ?         
1 1 1 55 10 1  o 7.11561  0.0740197 50.694       1.05339  50.6886      1.53558  50.6988      1.44774  7.11036  0.107982  7.1121   0.10178   
1 1 1 55 10 2  o 4.46271  0.0758455 19.9417      0.676953 20.0394      0.926621 19.8298      0.991367 4.47114  0.103622  4.44685  0.111469  
1 1 1 55 10 3  o 2.301    0.109359  5.30913      0.503272 4.91353      0.721437 5.68413      0.702412 2.20992  0.163227  2.37821  0.147676  
1 1 1 55 10 4  o 1.42565  0.166875  2.04578      0.475813 2.0178       0.680213 2.07259      0.66582  1.38885  0.254359  1.43059  0.232708  
1 1 1 55 10 5  o 4.60691  0.0718046 21.2501      0.661594 21.0856      0.953033 21.4031      0.919157 4.58592  0.103909  4.62082  0.0994582 
1 1 1 55 10 6  o 4.12277  0.0776458 17.023       0.64023  16.928       0.941239 17.1049      0.873406 4.1076   0.114573  4.13001  0.105739  
1 1 1 55 10 7  o 6.03216  0.0768096 36.4438      0.926657 35.9937      1.3389   36.8576      1.28381  5.98965  0.111768  6.06212  0.105888  
1 1 1 55 10 8  o 1.39514  0.18042   1.964        0.503421 2.23137      0.705513 1.68666      0.718556 1.48227  0.237984  1.2599   0.290844  
1 1 1 55 10 9  o 2.59004  0.105834  6.72994      0.548228 6.79573      0.779807 6.66565      0.770892 2.59851  0.150049  2.57355  0.149772  
1 1 1 55 10 10 o 2.39616  0.117083  5.76524      0.561101 5.51599      0.801105 6.00526      0.78614  2.33836  0.171296  2.4411   0.161021  
1 1 1 55 10 11 o 4.79331  0.0777721 23.0196      0.745572 22.6529      1.06287  23.3748      1.04612  4.75007  0.11188   4.82575  0.108389  
1 1 1 55 10 12 o 3.05081  0.101421  9.33961      0.618832 9.97611      0.899455 8.76751      0.852734 3.14761  0.142879  2.95056  0.144504  
1 1 1 55 10 13 o 3.88931  0.0925186 15.1735      0.719667 14.9413      1.04094  15.3862      0.996064 3.85265  0.135094  3.91102  0.127341  
1 1 1 55 10 14 o 3.02031  0.10926   9.16124      0.659996 8.7127       0.94352  9.59099      0.923551 2.93807  0.160568  3.08447  0.14971   
1 1 1 55 10 15 o 2.78146  0.116533  7.77659      0.648265 8.24265      0.892019 7.25491      0.943735 2.85772  0.156072  2.67764  0.176225  
1 1 1 55 10 16 o 1.91525  0.161241  3.70629      0.617632 2.80151      0.899979 4.51178      0.849162 1.64924  0.272846  2.10695  0.201515  
1 1 1 55 10 17 o 1.68791  0.192491  2.8964       0.649814 2.36         0.9739   3.32682      0.872407 1.47181  0.337815  1.80035  0.242288  
1 1 1 55 10 18 o 3.40485  0.113615  11.6684      0.773686 11.0337      1.16601  12.1676      1.03414  3.29589  0.176888  3.4689   0.149059  
1 1 1 55 10 19 o 4.39652  0.104877  19.446       0.92219  20.7692      1.33482  18.2377      1.27554  4.53034  0.14732   4.24426  0.150267  
1 1 1 55 10 20 o 3.35563  0.110919  11.3417      0.744406 11.7175      1.02787  10.9271      1.07953  3.4003   0.151143  3.27959  0.164584  
1 1 1 55 10 21 o 1.33378  0.271281  1.92116      0.698514 1.58149      0.976491 2.2771       0.99961  1.19815  0.370289  1.42692  0.351992  
1 1 1 55 10 22 o 2.21159  0.167504  4.98797      0.7409   3.81003      1.02194  6.29312      1.07571  1.90421  0.268337  2.46764  0.217962  
1 1 1 55 10 23 o 2.0596   0.187388  4.35461      0.77189  4.36385      1.00387  4.34125      1.2073   2.04283  0.245705  2.01629  0.299387  
1 1 1 55 10 24 o 0.722298 0.305313  0.141472     0.759789 -0.566322    1.02438  1.00702      1.13279  0.698204 0.320394  1.03864  0.394613  
1 1 1 55 10 25 o 3.66111  0.121884  13.581       0.892459 14.6341      1.22105  12.3732      1.30765  3.78169  0.161442  3.46286  0.188811  
1 1 1 55 10 26 o 1.07162  0.331002  1.31058      0.780419 0.119985     1.05878  2.72698      1.15482  0.810184 0.351826  1.50745  0.382313  
1 1 1 55 10 27 o 3.30859  0.135069  11.1939      0.893774 11.7785      1.23249  10.5453      1.29803  3.36291  0.183248  3.16618  0.204983  
1 1 1 55 10 28 o 0.738495 0.309627  0.278389     0.770965 0.907577     1.0671   -0.408674    1.1151   0.959929 0.378372  0.728982 0.334419  
1 1 1 55 10 29 o 0.954289 0.337539  1.05909      0.807073 0.842969     1.11237  1.29932      1.17277  0.932236 0.379242  1.04266  0.399944  
1 1 1 55 10 30 o 0.610347 0.28242   -0.383082    0.816345 0.369706     1.11947  -1.23803     1.19301  0.827551 0.360594  0.6392   0.308763  
1 1 1 55 10 31 o 0.46259  0.229466  -1.53875     0.802676 -1.90481     1.09579  -1.11494     1.17909  0.540927 0.268273  0.631143 0.30523   
1 1 1 55 10 32 o 0.586342 0.280117  -0.662159    0.915812 -0.107436    1.23744  -1.33397     1.36179  0.739369 0.34426   0.648459 0.316836  
1 1 1 55 10 33 o 0.623535 0.293561  -0.265371    0.955989 0.0843856    1.25558  -0.747802    1.47462  0.726918 0.340868  0.685349 0.333885  
1 1 1 55 10 34 o 0.503852 0.251648  -1.79247     1.04961  -1.75779     1.36244  -1.8431      1.64628  0.583182 0.290622  0.63124  0.315256  
1 1 1 55 10 35 o 0.735852 0.339602  0.840752     1.17041  1.8767       1.62502  -0.275924    1.68714  0.831904 0.389683  0.667687 0.331428  
1 1 1 55 11 0  o 2.58485  0.161582  6.78008      0.827847 6.78008      0.827847 6.78008      0.827847 2.59448  0.113304  ?        ?         
1 1 1 55 11 1  o 7.15086  0.0764962 51.207       1.09403  50.8013      1.59052  51.5714      1.50721  7.11679  0.111744  7.17177  0.10508   
1 1 1 55 11 2  o 3.77492  0.0799029 14.2722      0.603253 14.4348      0.81123  14.071       0.902272 3.79404  0.106908  3.74451  0.120479  
1 1 1 55 11 3  o 1.50393  0.153618  2.27507      0.462061 2.40483      0.616956 2.10931      0.697302 1.54313  0.199905  1.42001  0.254769  
1 1 1 55 11 4  o 3.48087  0.0822774 12.1374      0.572794 12.7087      0.825906 11.6079      0.795079 3.55884  0.116036  3.40115  0.116884  
1 1 1 55 11 5  o 1.8889   0.130398  3.58396      0.492619 3.91234      0.716174 3.28906      0.678674 1.96945  0.181821  1.80524  0.187974  
1 1 1 55 11 6  o 4.28756  0.0788125 18.4145      0.675826 18.1554      0.958188 18.6711      0.953355 4.25357  0.112633  4.31384  0.1105    
1 1 1 55 11 7  o 7.2105   0.0800595 52.0855      1.15454  51.2722      1.66465  52.8393      1.60264  7.14688  0.11646   7.25667  0.110426  
1 1 1 55 11 8  o 4.63865  0.0800961 21.5574      0.743075 23.4738      1.13622  20.1252      0.98225  4.8353   0.117492  4.4783   0.109668  
1 1 1 55 11 9  o 2.67004  0.101551  7.1514       0.542289 7.03835      0.767569 7.26406      0.766258 2.64456  0.145122  2.68693  0.14259   
1 1 1 55 11 10 o 1.21009  0.217642  1.53044      0.507557 1.24263      0.718478 1.81716      0.717111 1.08502  0.313486  1.30709  0.282333  
1 1 1 55 11 11 o 4.28234  0.0826806 18.3806      0.708133 18.4534      1.03032  18.3154      0.974882 4.28523  0.120218  4.2702   0.114149  
1 1 1 55 11 12 o 2.90764  0.108283  8.49023      0.629697 8.49631      0.917713 8.48482      0.86562  2.90169  0.158134  2.90117  0.149185  
1 1 1 55 11 13 o 2.00903  0.153084  4.07009      0.615102 5.36866      0.91706  3.00813      0.829315 2.30057  0.199311  1.71638  0.241589  
1 1 1 55 11 14 o 2.07999  0.140244  4.35827      0.58341  5.20498      0.850272 3.60501      0.801978 2.26646  0.187577  1.88265  0.212992  
1 1 1 55 11 15 o 2.12526  0.142515  4.5532       0.605761 5.09566      0.891837 4.08857      0.82537  2.2397   0.199097  2.00514  0.205814  
1 1 1 55 11 16 o 2.82963  0.11783   8.0539       0.666829 7.03755      0.950451 9.03915      0.935798 2.6346   0.180379  2.99093  0.156439  
1 1 1 55 11 17 o 3.73343  0.103848  14.0135      0.775417 15.3102      1.14166  12.9031      1.05649  3.89212  0.146664  3.57277  0.147853  
1 1 1 55 11 18 o 1.99039  0.163508  4.01724      0.65089  4.57284      0.928735 3.48091      0.912476 2.11172  0.2199    1.83613  0.248478  
1 1 1 55 11 19 o 0.846412 0.307224  0.646772     0.672454 -0.358874    0.990137 1.50775      0.916154 0.725497 0.326155  1.17576  0.357724  
1 1 1 55 11 20 o 3.88822  0.109119  15.2282      0.848557 16.0491      1.16113  14.2872      1.24314  3.98018  0.145864  3.74828  0.165828  
1 1 1 55 11 21 o 1.47661  0.241618  2.26508      0.71355  2.71117      1.00209  1.80627      1.01628  1.56492  0.330426  1.26973  0.374778  
1 1 1 55 11 22 o 1.84912  0.205703  3.52729      0.760741 3.42629      1.01712  3.65553      1.14609  1.79826  0.282807  1.81874  0.326972  
1 1 1 55 11 23 o 1.56724  0.235288  2.56051      0.737505 2.00508      1.00017  3.22241      1.09182  1.32632  0.365522  1.70107  0.332793  
1 1 1 55 11 24 o 1.07748  0.322438  1.29394      0.748466 1.32903      1.03186  1.25498      1.0873   1.10603  0.382579  1.09145  0.391202  
1 1 1 55 11 25 o 1.59296  0.253143  2.69825      0.806492 3.68117      1.07991  1.4587       1.21271  1.8424   0.29307   1.14893  0.413014  
1 1 1 55 11 26 o 0.781654 0.31415   0.437203     0.75108  1.7676       1.0271   -1.09188     1.10113  1.21462  0.380651  0.647935 0.308972  
1 1 1 55 11 27 o 0.763177 0.311723  0.380377     0.754599 0.0419746    1.02746  0.776649     1.11185  0.77716  0.34198   0.945392 0.381283  
1 1 1 55 11 28 o 2.2926   0.182714  5.5221       0.837779 5.08377      1.13526  6.04625      1.24144  2.14394  0.26476   2.33742  0.265559  
1 1 1 55 11 29 o 1.4054   0.300072  2.35788      0.81866  2.66449      1.12716  2.01556      1.19099  1.42102  0.386455  1.21658  0.41143   
1 1 1 55 11 30 o 1.01309  0.337735  1.29191      0.802544 2.11872      1.06856  0.222023     1.21553  1.2453   0.387856  0.81698  0.364482  
1 1 1 55 11 31 o 0.824828 0.33147   0.754383     0.836067 0.332229     1.11534  1.29587      1.26317  0.785643 0.349856  0.975877 0.401739  
1 1 1 55 11 32 o 0.670178 0.311419  -0.187985    1.00618  -0.241254    1.35241  -0.121947    1.50581  0.740851 0.348901  0.779861 0.367531  
1 1 1 55 11 33 o 1.10281  0.377712  2.07416      1.00378  1.41902      1.31314  2.9951       1.5569   0.902696 0.391905  1.14719  0.455495  
1 1 1 55 11 34 o 0.700659 0.322159  0.31674      1.04139  1.16078      1.35772  -0.889454    1.62306  0.838892 0.379261  0.673396 0.332148  
1 1 1 55 12 0  o 3.67397  0.125009  13.5724      0.916151 13.5724      0.916151 13.5724      0.916151 3.67905  0.0881555 ?        ?         
1 1 1 55 12 1  o 3.02485  0.0959696 9.17193      0.580587 9.86745      0.841582 8.54031      0.801994 3.13385  0.134273  2.91516  0.137556  
1 1 1 55 12 2  o 2.8624   0.0962525 8.21357      0.551025 9.14533      0.765077 7.20932      0.794278 3.01771  0.126765  2.67723  0.14834   
1 1 1 55 12 3  o 3.42493  0.081457  11.7513      0.557969 11.1547      0.750129 12.4903      0.834823 3.33418  0.112491  3.5275   0.118331  
1 1 1 55 12 4  o 3.13872  0.0856724 9.87161      0.537803 9.52933      0.736446 10.2627      0.787229 3.08092  0.119517  3.1969   0.123124  
1 1 1 55 12 5  o 3.65032  0.0798091 13.3488      0.582658 12.5068      0.789292 14.3572      0.863736 3.53032  0.111788  3.78218  0.114185  
1 1 1 55 12 6  o 2.70781  0.0994412 7.35321      0.538535 6.85455      0.78008  7.80726      0.74438  2.60975  0.149455  2.78701  0.133544  
1 1 1 55 12 7  o 4.5981   0.0744251 21.1775      0.684428 21.9836      1.00249  20.4736      0.936709 4.68072  0.107087  4.51759  0.103674  
1 1 1 55 12 8  o 1.3781   0.181408  1.91841      0.499995 1.98929      0.701264 1.84513      0.713084 1.37385  0.264664  1.31849  0.278986  
1 1 1 55 12 9  f 2.43047  0.107564  5.92908      0.522862 6.2456       0.754106 5.63605      0.725595 2.48987  0.151435  2.36502  0.153401  
1 1 1 55 12 10 o 1.521    0.174967  2.33746      0.532249 2.84402      0.770174 1.87437      0.736389 1.67128  0.230415  1.32608  0.285815  
1 1 1 55 12 11 o 5.66289  0.0804348 32.1433      0.910987 31.2963      1.33984  32.8715      1.24234  5.57972  0.120063  5.72113  0.108574  
1 1 1 55 12 12 o 2.1326   0.141056  4.58043      0.601632 5.1989       0.967528 4.19053      0.768213 2.26147  0.213915  2.034    0.188842  
1 1 1 55 12 13 o 5.56035  0.0868465 31.0042      0.965793 32.2721      1.36428  29.7304      1.3674   5.6655   0.120402  5.4365   0.125761  
1 1 1 55 12 14 o 0.691844 0.271922  0.300569     0.549666 0.227006     0.815692 0.361759     0.743943 0.780696 0.32233   0.788326 0.314279  
1 1 1 55 12 15 o 0.769698 0.286139  0.483632     0.587657 1.09753      0.863802 -0.0452985   0.801802 1.04511  0.350387  0.711491 0.307525  
1 1 1 55 12 16 o 5.07586  0.0875872 25.8614      0.88916  26.6461      1.24892  25.055       1.26618  5.14353  0.121407  4.98593  0.126975  
1 1 1 55 12 17 o 2.43364  0.140259  5.9819       0.682679 5.72535      1.00133  6.20472      0.933179 2.36592  0.211614  2.46855  0.189013  
1 1 1 55 12 18 o 1.83889  0.185739  3.44771      0.683111 4.64371      1.00582  2.42373      0.93068  2.12121  0.237086  1.48751  0.321929  
1 1 1 55 12 19 o 3.32086  0.115174  11.1152      0.764953 10.5039      1.05924  11.7814      1.10588  3.21506  0.16473   3.40574  0.162356  
1 1 1 55 12 20 o 1.72157  0.207738  3.04566      0.715272 2.00855      1.04819  3.94945      0.9785   1.33563  0.376337  1.94809  0.251144  
1 1 1 55 12 21 o 2.28765  0.168097  5.33923      0.769097 5.32796      1.02641  5.35366      1.16138  2.26712  0.226369  2.26115  0.256813  
1 1 1 55 12 22 o 2.38081  0.163133  5.78247      0.776777 6.78102      1.02987  4.4648       1.18305  2.56514  0.200743  2.04926  0.288652  
1 1 1 55 12 23 o 3.48154  0.120712  12.2651      0.84053  12.6173      1.16534  11.8831      1.21349  3.51296  0.165863  3.40343  0.178275  
1 1 1 55 12 24 o 0.597743 0.273831  -0.430192    0.744754 -0.151111    1.01899  -0.750228    1.0912   0.758686 0.336422  0.695526 0.323627  
1 1 1 55 12 25 o 1.3804   0.288331  2.13849      0.770103 2.88746      1.03632  1.21485      1.15084  1.58091  0.337664  1.07172  0.400026  
1 1 1 55 12 26 o 1.0993   0.322789  1.40251      0.75578  1.02166      1.0229   1.86037      1.12157  0.994217 0.375789  1.23446  0.3991    
1 1 1 55 12 27 o 0.688774 0.297802  0.0867712    0.752361 0.601541     0.992147 -0.609807    1.15413  0.876105 0.357574  0.716175 0.333077  
1 1 1 55 12 28 o 1.91642  0.213505  3.94476      0.818329 4.53678      1.12292  3.27428      1.19502  2.0049   0.280045  1.60744  0.3777    
1 1 1 55 12 29 o 1.31899  0.309827  2.1156       0.804313 1.35127      1.07206  3.09982      1.21653  1.03818  0.386373  1.52292  0.39583   
1 1 1 55 12 30 o 1.28311  0.332817  2.12938      0.861159 2.24409      1.18795  2.00235      1.25016  1.2367   0.410903  1.16268  0.419204  
1 1 1 55 12 31 o 2.01089  0.236897  4.66255      0.952749 5.46247      1.24098  3.5142       1.4869   2.10236  0.29514   1.4372   0.459014  
1 1 1 55 12 32 o 1.22003  0.383034  2.36193      1.03939  1.50024      1.39636  3.43256      1.55647  0.956104 0.409358  1.31253  0.468293  
1 1 1 55 12 33 o 0.706386 0.322104  0.353013     1.01499  1.27274      1.33897  -0.889366    1.55621  0.862413 0.383707  0.668373 0.329197  
1 1 1 55 12 34 o 0.941255 0.392982  1.98348      1.23374  2.08996      1.84137  1.89675      1.66194  0.871417 0.409434  0.866968 0.401852  
1 1 1 55 13 0  o 3.49044  0.122873  12.2542      0.855353 12.2542      0.855353 12.2542      0.855353 3.49556  0.0866338 ?        ?         
1 1 1 55 13 1  o 3.96111  0.0791782 15.7183      0.627267 14.4642      0.874601 17.0466      0.90013  3.79611  0.115197  4.12186  0.10919   
1 1 1 55 13 2  o 2.98327  0.0936762 8.92217      0.558923 9.45077      0.774213 8.34681      0.807725 3.06731  0.126204  2.88109  0.140177  
1 1 1 55 13 3  o 2.71736  0.0962437 7.40377      0.523058 6.82391      0.711086 8.08744      0.772109 2.60533  0.136468  2.83634  0.13611   
1 1 1 55 13 4  f 1.12533  0.215662  1.32488      0.468069 2.02101      0.655496 0.600639     0.668598 1.4106   0.232347  0.840522 0.306219  
1 1 1 55 13 5  o 0.67541  0.253591  0.348826     0.463842 1.03718      0.641894 -0.403406    0.671016 0.998667 0.29855   0.57861  0.263317  
1 1 1 55 13 6  o 0.802099 0.255524  0.645813     0.460993 0.709029     0.634612 0.575188     0.670775 0.868802 0.300078  0.831883 0.306359  
1 1 1 55 13 7  o 0.946111 0.255454  0.944442     0.494704 1.43194      0.69     0.428788     0.709648 1.15856  0.296528  0.797726 0.309969  
1 1 1 55 13 8  f 3.95941  0.0833893 15.7126      0.660345 15.7785      0.953379 15.6519      0.915509 3.96272  0.120294  3.94745  0.115962  
1 1 1 55 13 9  o 1.11061  0.240274  1.30549      0.518602 0.91815      0.723321 1.71524      0.743943 0.962712 0.320632  1.26571  0.298399  
1 1 1 55 13 10 o 4.81421  0.0886672 23.2424      0.853725 21.7971      1.32277  24.2743      1.11768  4.6517   0.142181  4.91538  0.113692  
1 1 1 55 13 11 o 3.487    0.0960311 12.1993      0.669721 11.272       0.955608 13.0945      0.938872 3.34506  0.142839  3.60761  0.130124  
1 1 1 55 13 12 o 4.24081  0.0897451 18.0382      0.761183 17.7028      1.09478  18.3522      1.05906  4.19413  0.130513  4.27169  0.123963  
1 1 1 55 13 13 o 4.05689  0.0880326 16.5088      0.714277 17.5438      1.05629  15.6369      0.969553 4.17532  0.126493  3.94256  0.12296   
1 1 1 55 13 14 f 2.90012  0.107566  8.44994      0.623909 8.09904      0.895632 8.78075      0.869624 2.83148  0.158156  2.9502   0.147384  
1 1 1 55 13 15 o 2.87893  0.111432  8.33678      0.641612 9.09478      0.912896 7.59684      0.901955 2.99947  0.152176  2.73883  0.16466   
1 1 1 55 13 16 o 1.52692  0.20047   2.37884      0.612202 1.95379      0.880217 2.77711      0.85204  1.33583  0.330782  1.63874  0.259967  
1 1 1 55 13 17 o 2.76413  0.130943  7.71225      0.723888 8.60193      0.996252 6.71715      1.05362  2.90952  0.171205  2.5621   0.205616  
1 1 1 55 13 18 f 3.24757  0.115662  10.6292      0.75124  10.6098      1.09596  10.6464      1.03177  3.23016  0.169645  3.2389   0.159278  
1 1 1 55 13 19 o 2.77972  0.130241  7.80817      0.724067 7.19475      1.03393  8.39855      1.01432  2.65088  0.195016  2.87006  0.176708  
1 1 1 55 13 20 f 2.51711  0.164516  6.45237      0.828212 5.33288      1.16116  7.61171      1.18164  2.25914  0.256992  2.71559  0.217567  
1 1 1 55 13 21 o 3.20132  0.133237  10.3847      0.853065 10.2047      1.19214  10.5736      1.22122  3.15263  0.18907   3.20856  0.190307  
1 1 1 55 13 22 o 1.18857  0.296329  1.56391      0.702768 1.4866       0.952087 1.65645      1.04167  1.15652  0.367094  1.21335  0.383859  
1 1 1 55 13 23 o 1.51769  0.251538  2.43108      0.763517 2.42922      1.04908  2.43317      1.11333  1.45082  0.362262  1.4444   0.380184  
1 1 1 55 13 24 o 2.05692  0.188001  4.3785       0.773406 4.60078      1.04682  4.11134      1.14764  2.08129  0.251484  1.94628  0.294828  
1 1 1 55 13 25 o 2.2511   0.175106  5.24834      0.788361 5.28904      1.06642  5.19929      1.17069  2.22662  0.23947   2.19092  0.267168  
1 1 1 55 13 26 f 2.03376  0.190607  4.32738      0.7753   5.54584      1.05446  2.89351      1.14387  2.27836  0.231407  1.54254  0.374093  
1 1 1 55 13 27 o 1.03192  0.325279  1.25828      0.748577 1.25943      0.986971 1.25673      1.14862  1.03812  0.372654  1.04876  0.39768   
1 1 1 55 13 28 o 1.17905  0.323652  1.70964      0.786062 2.51018      1.04918  0.685267     1.18682  1.39545  0.369882  0.905899 0.382186  
1 1 1 55 13 29 o 1.51089  0.280349  2.68127      0.815394 1.85473      1.09184  3.72353      1.22607  1.16982  0.393932  1.69535  0.371752  
1 1 1 55 13 30 o 0.627884 0.29061   -0.281862    0.865105 0.255808     1.19186  -0.880554    1.25768  0.79275  0.357033  0.672023 0.322772  
1 1 1 55 13 31 o 0.480357 0.23859   -1.62373     0.88131  -1.05554     1.14495  -2.44983     1.38057  0.614272 0.29785   0.578443 0.288861  
1 1 1 55 13 32 o 0.733708 0.325175  0.482174     0.950308 1.56387      1.28572  -0.820343    1.41086  0.942291 0.397678  0.665281 0.324552  
1 1 1 55 13 33 o 0.582455 0.286623  -1.09391     1.15615  -2.82308     1.7112   0.358392     1.56823  0.597494 0.301526  0.774253 0.369093  
1 1 1 55 14 0  o 4.61785  0.108734  21.3975      1.00298  21.3975      1.00298  21.3975      1.00298  4.62181  0.0767721 ?        ?         
1 1 1 55 14 1  o 4.23179  0.0761865 17.9392      0.644811 17.6628      0.888185 18.2472      0.937623 4.19571  0.105844  4.264    0.109946  
1 1 1 55 14 2  o 2.7826   0.0966438 7.76467      0.537842 6.74319      0.745515 8.87336      0.77669  2.58871  0.143993  2.9712   0.130703  
1 1 1 55 14 3  o 2.17761  0.118656  4.76231      0.516774 5.01205      0.68     4.4209       0.795074 2.23088  0.152406  2.09111  0.190108  
1 1 1 55 14 4  o 1.85862  0.129262  3.47232      0.480498 3.83449      0.665704 3.07842      0.694248 1.94937  0.170748  1.74384  0.199058  
1 1 1 55 14 5  o 2.37971  0.104824  5.68269      0.498901 5.21694      0.684335 6.21104      0.728874 2.27587  0.150346  2.48368  0.146733  
1 1 1 55 14 6  o 2.23912  0.11017   5.03341      0.493366 5.30289      0.66892  4.71194      0.730602 2.29479  0.145748  2.16056  0.169077  
1 1 1 55 14 7  f 2.26186  0.111165  5.13739      0.50288  4.7952       0.6732   5.56941      0.756409 2.18093  0.154338  2.34958  0.160967  
1 1 1 55 14 8  o 2.69899  0.100758  7.31079      0.543891 6.09011      0.718388 8.95018      0.832527 2.45846  0.146105  2.98132  0.139624  
1 1 1 55 14 9  o 3.18756  0.0994555 10.1967      0.63404  9.33279      0.907553 11.0204      0.886166 3.04272  0.149135  3.30896  0.133904  
1 1 1 55 14 10 o 2.52822  0.11654   6.42294      0.589275 6.21617      0.86033  6.60568      0.808779 2.47978  0.173469  2.55863  0.158049  
1 1 1 55 14 11 o 0.789427 0.269465  0.593962     0.510885 0.313875     0.730851 0.861605     0.714431 0.770761 0.309841  0.939613 0.318655  
1 1 1 55 14 12 o 6.67353  0.081901  44.6543      1.09314  44.3236      1.54726  44.9838      1.54461  6.63976  0.116514  6.68936  0.115453  
1 1 1 55 14 13 o 6.9784   0.0833543 48.8343      1.16336  52.6515      1.68232  45.3359      1.61051  7.23627  0.116242  6.71357  0.119944  
1 1 1 55 14 14 o 2.0851   0.142139  4.3881       0.592747 3.02307      0.833809 5.78275      0.842806 1.71553  0.243018  2.38767  0.176491  
1 1 1 55 14 15 o 3.6501   0.0967862 13.386       0.706558 13.055       0.986061 13.7353      1.01293  3.59625  0.137096  3.68872  0.137301  
1 1 1 55 14 16 f 3.85115  0.0972837 14.9064      0.749308 14.616       1.05487  15.2022      1.06456  3.80352  0.13867   3.87946  0.137205  
1 1 1 55 14 17 o 1.18798  0.277448  1.52901      0.647912 1.1399       0.939041 1.88255      0.895109 1.0595   0.365114  1.3049   0.339709  
1 1 1 55 14 18 o 3.15142  0.116361  10.0133      0.733403 10.0884      1.06174  9.94474      1.01427  3.14894  0.168586  3.12847  0.162103  
1 1 1 55 14 19 o 1.07466  0.313366  1.25897      0.714706 1.25988      0.971124 1.2579       1.05565  1.09504  0.371517  1.10482  0.386503  
1 1 1 55 14 20 o 2.88652  0.140757  8.4537       0.812595 9.63157      1.14781  7.27018      1.15056  3.06427  0.187289  2.65088  0.217015  
1 1 1 55 14 21 f 1.81771  0.199879  3.40446      0.726646 3.29265      1.04742  3.5082       1.00893  1.72885  0.31455   1.82056  0.277093  
1 1 1 55 14 22 o 0.810737 0.314055  0.519085     0.727313 -0.241227    0.985037 1.43044      1.07845  0.733093 0.327554  1.14318  0.391509  
1 1 1 55 14 23 o 0.878098 0.325638  0.718129     0.760163 1.59353      1.04549  -0.26371     1.10723  1.18381  0.38548   0.770532 0.3457    
1 1 1 55 14 24 o 3.0719   0.135945  9.62569      0.835221 12.1187      1.14277  6.76688      1.22374  3.42994  0.166588  2.52204  0.24261   
1 1 1 55 14 25 o 1.9771   0.192778  4.08727      0.762283 5.26792      1.04947  2.76871      1.10907  2.22057  0.236306  1.51632  0.368747  
1 1 1 55 14 26 o 1.43617  0.269187  2.31788      0.744636 2.78244      1.01572  1.77809      1.09488  1.52911  0.340925  1.19934  0.394479  
1 1 1 55 14 27 o 0.645345 0.288203  -0.106552    0.761725 -0.583482    0.995391 0.567441     1.1833   0.65627  0.306801  0.894803 0.379762  
1 1 1 55 14 28 o 1.91834  0.209528  3.98195      0.803893 3.44398      1.04881  4.74813      1.25165  1.68454  0.322818  2.00504  0.312127  
1 1 1 55 14 29 o 0.963489 0.341041  1.16874      0.824038 1.17725      1.14431  1.15956      1.18762  0.975743 0.389533  0.97415  0.393574  
1 1 1 55 14 30 o 0.872148 0.345633  0.936386     0.894888 0.530098     1.18887  1.46751      1.35931  0.824962 0.364905  1.00168  0.414985  
1 1 1 55 14 31 o 0.774537 0.331239  0.575384     0.912423 0.756472     1.26192  0.377        1.32081  0.850594 0.376134  0.803094 0.366551  
1 1 1 55 14 32 o 1.03857  0.393507  1.99784      1.1239   2.78372      1.59129  1.21561      1.58759  1.0885   0.449857  0.863793 0.39742   
1 1 1 55 14 33 o 0.59572  0.293716  -1.10997     1.26594  -1.90186     2.44674  -0.820482    1.47934  0.70847  0.358146  0.652794 0.321532  
1 1 1 55 15 0  o 3.69487  0.13797   13.7499      1.01633  13.7499      1.01633  13.7499      1.01633  3.70148  0.0972286 ?        ?         
1 1 1 55 15 1  o 8.22138  0.087179  67.7541      1.43346  65.8845      2.01926  69.6534      2.03528  8.09676  0.124696  8.32594  0.122225  
1 1 1 55 15 2  o 7.3129   0.0792841 53.586       1.15959  53.5145      1.66297  53.6536      1.61778  7.30006  0.113901  7.3104   0.11065   
1 1 1 55 15 3  o 2.54565  0.106745  6.50419      0.543471 7.24065      0.725314 5.56139      0.820654 2.68281  0.135178  2.34652  0.174866  
1 1 1 55 15 4  o 1.94546  0.126055  3.80469      0.490469 3.65773      0.691417 3.95355      0.695859 1.90203  0.181758  1.97814  0.175888  
1 1 1 55 15 5  o 2.70881  0.0965944 7.36093      0.523311 7.25758      0.696012 7.49532      0.793724 2.68625  0.129551  2.72786  0.145485  
1 1 1 55 15 6  o 2.09239  0.118215  4.39968      0.494706 4.18077      0.652123 4.69644      0.759278 2.03545  0.160192  2.15529  0.176143  
1 1 1 55 15 7  o 2.31026  0.108114  5.35982      0.499541 5.37394      0.66857  5.34198      0.751614 2.30941  0.144749  2.30016  0.163383  
1 1 1 55 15 8  o 4.91355  0.0864038 24.2077      0.8491   25.1841      1.13528  22.9681      1.27918  5.00674  0.113375  4.77703  0.133888  
1 1 1 55 15 9  o 3.67647  0.0827901 13.5497      0.608751 12.983       0.857177 14.1263      0.864679 3.59393  0.119253  3.74947  0.115307  
1 1 1 55 15 10 o 0.840363 0.261417  0.723342     0.485628 0.756464     0.694468 0.691647     0.679344 0.897475 0.313532  0.871176 0.309524  
1 1 1 55 15 11 o 1.92951  0.146204  3.75457      0.564203 3.82762      0.73168  3.64743      0.886128 1.94279  0.188307  1.88929  0.234514  
1 1 1 55 15 12 o 3.09301  0.0962601 9.60244      0.595468 8.95662      0.89003  10.1258      0.801194 2.97926  0.149371  3.17182  0.126299  
1 1 1 55 15 13 o 3.60502  0.0899113 13.0442      0.648264 12.974       0.939524 13.108       0.895619 3.5879   0.13093   3.60781  0.124122  
1 1 1 55 15 14 f 3.07209  0.101478  9.4865       0.623496 9.32625      0.890477 9.64062      0.873288 3.03763  0.146574  3.08955  0.141329  
1 1 1 55 15 15 o 4.99103  0.0891308 25.0145      0.889709 26.9304      1.23158  22.9232      1.2867   5.17015  0.119105  4.76497  0.135017  
1 1 1 55 15 16 o 2.22105  0.149615  4.99632      0.664605 5.60325      0.966953 4.45287      0.914987 2.33856  0.206741  2.08147  0.219793  
1 1 1 55 15 17 o 3.63169  0.104273  13.275       0.757377 12.5924      1.04449  14.032       1.09984  3.52541  0.148137  3.72159  0.147765  
1 1 1 55 15 18 o 1.20156  0.299133  1.58356      0.716918 0.855156     0.996458 2.36522      1.03224  0.984598 0.371268  1.45209  0.357377  
1 1 1 55 15 19 o 0.883888 0.320638  0.729855     0.73236  0.547762     1.01634  0.926526     1.05624  0.908691 0.365342  1.01188  0.38204   
1 1 1 55 15 20 o 1.37851  0.268999  2.06209      0.715179 2.48023      1.05505  1.70662      0.972781 1.47724  0.359913  1.23038  0.367472  
1 1 1 55 15 21 o 2.96587  0.126219  8.90524      0.748699 8.60336      1.04261  9.22666      1.07581  2.8969   0.179953  3.00028  0.179284  
1 1 1 55 15 22 o 1.19471  0.313937  1.60638      0.759945 1.25515      1.07702  1.95463      1.07244  1.0898   0.389475  1.29735  0.385504  
1 1 1 55 15 23 o 4.14954  0.114132  17.4443      0.947191 19.8458      1.25632  14.2813      1.44182  4.41038  0.142428  3.7097   0.194331  
1 1 1 55 15 24 o 2.3438   0.165522  5.66955      0.775902 4.50142      1.02542  7.2342       1.18676  2.04787  0.250362  2.61192  0.227183  
1 1 1 55 15 25 o 1.55329  0.238563  2.58745      0.741114 1.99373      1.01324  3.27053      1.08682  1.27952  0.373119  1.67107  0.337003  
1 1 1 55 15 26 o 2.27829  0.177337  5.43206      0.808048 5.36252      1.03781  5.53912      1.28771  2.22847  0.232852  2.22008  0.290015  
1 1 1 55 15 27 o 1.34149  0.295945  2.13425      0.772705 1.28669      0.992353 3.43954      1.23151  1.02635  0.373147  1.63146  0.383473  
1 1 1 55 15 28 o 0.77089  0.312836  0.502924     0.755008 1.16091      1.0068   -0.342568    1.14128  0.981142 0.37224   0.722904 0.334283  
1 1 1 55 15 29 o 2.00433  0.23099   4.53491      0.925961 4.60506      1.24398  4.44776      1.38662  1.88695  0.342225  1.77836  0.399627  
1 1 1 55 15 30 o 1.06547  0.356021  1.61529      0.891804 1.325        1.19326  1.98259      1.34224  0.966573 0.392931  1.09902  0.426451  
1 1 1 55 15 31 o 1.02979  0.382568  1.79255      1.05012  0.336482     1.5204   3.12079      1.45213  0.789845 0.371379  1.24477  0.451503  
1 1 1 55 15 32 o 0.938796 0.394411  1.67384      1.25525  0.0269082    1.97555  2.78894      1.62558  0.776037 0.379739  1.07238  0.449605  
1 1 1 55 15 33 o 0.688232 0.322285  0.461        1.10839  0.706618     1.73646  0.292119     1.43988  0.737677 0.359904  0.692754 0.335419  
1 1 1 55 16 0  o 2.27077  0.18645   5.28962      0.833634 5.28962      0.833634 5.28962      0.833634 2.28564  0.12991   ?        ?         
1 1 1 55 16 1  o 2.5545   0.118975  6.55713      0.607841 7.21977      0.809495 5.70053      0.920376 2.67639  0.151229  2.37218  0.193994  
1 1 1 55 16 2  o 5.8177   0.0775321 33.916       0.902117 33.092       1.23643  34.854       1.31915  5.74095  0.107686  5.89085  0.111966  
1 1 1 55 16 3  o 3.61225  0.0883171 13.0841      0.638046 13.1878      0.853945 12.9531      0.960004 3.62259  0.117864  3.58768  0.133792  
1 1 1 55 16 4  o 2.72112  0.100522  7.43143      0.547066 7.36579      0.734725 7.51309      0.819542 2.70499  0.135809  2.7299   0.150105  
1 1 1 55 16 5  o 2.33272  0.115019  5.46753      0.536612 6.06544      0.724321 4.74012      0.798918 2.45313  0.147632  2.16385  0.184606  
1 1 1 55 16 6  o 1.46574  0.162113  2.16866      0.475229 1.60989      0.624027 2.94017      0.733259 1.23112  0.261342  1.70044  0.215608  
1 1 1 55 16 7  o 2.49988  0.104337  6.27372      0.521662 6.63734      0.707239 5.83983      0.772563 2.56752  0.137728  2.4054   0.160589  
1 1 1 55 16 8  o 3.91566  0.0931557 15.3815      0.729533 17.0156      1.02183  13.6826      1.04189  4.11322  0.124213  3.68534  0.141356  
1 1 1 55 16 9  o 4.46586  0.0933842 20.0113      0.834081 19.8167      1.19893  20.1939      1.16111  4.4359   0.13514   4.47918  0.129612  
1 1 1 55 16 10 o 2.36037  0.140438  5.61507      0.66297  5.31632      0.965819 5.88126      0.911684 2.28541  0.211301  2.40794  0.189308  
1 1 1 55 16 11 o 3.61623  0.101154  13.1311      0.731589 13.7883      1.07522  12.5646      0.998303 3.69732  0.145405  3.53027  0.141392  
1 1 1 55 16 12 o 3.8642   0.101781  15.0034      0.786607 14.0434      1.12786  15.9126      1.09762  3.72783  0.151276  3.97161  0.138183  
1 1 1 55 16 13 o 3.94193  0.102391  15.6205      0.807239 15.753       1.16664  15.4989      1.11812  3.94753  0.147769  3.91698  0.142727  
1 1 1 55 16 14 o 2.28068  0.146571  5.25981      0.668563 5.86272      0.891032 4.48311      1.01133  2.39977  0.18565   2.08551  0.242467  
1 1 1 55 16 15 o 0.705984 0.280371  0.305525     0.589989 1.18473      0.842998 -0.538587    0.826004 1.06165  0.346142  0.625717 0.287371  
1 1 1 55 16 16 o 2.34997  0.13894   5.5855       0.653007 5.0365       0.904262 6.18382      0.944002 2.21704  0.203935  2.46002  0.191869  
1 1 1 55 16 17 f 1.54477  0.211799  2.45346      0.654359 2.65312      0.927122 2.25528      0.923695 1.55942  0.308234  1.4276   0.329887  
1 1 1 55 16 18 o 2.19714  0.169866  4.92254      0.746439 5.84679      1.03624  3.92574      1.07614  2.3798   0.217716  1.9308   0.278677  
1 1 1 55 16 19 o 1.6569   0.21237   2.83795      0.703754 1.98565      1.01874  3.61598      0.973333 1.32069  0.370653  1.85451  0.262423  
1 1 1 55 16 20 o 1.32412  0.270472  1.90958      0.691511 2.3199       0.97194  1.48895      0.984062 1.43366  0.343052  1.15924  0.373741  
1 1 1 55 16 21 o 1.48266  0.243622  2.31095      0.722416 1.4466       1.01137  3.21135      1.03225  1.14038  0.379138  1.69944  0.31552   
1 1 1 55 16 22 o 0.960484 0.324326  0.981304     0.740082 1.01021      1.04244  0.951926     1.05088  1.01548  0.380386  1.00154  0.380207  
1 1 1 55 16 23 o 0.651627 0.286894  -0.0688934   0.723903 0.23537      0.964148 -0.462055    1.09598  0.802609 0.341783  0.727811 0.332901  
1 1 1 55 16 24 o 1.08903  0.316202  1.3723       0.729218 1.32375      0.959911 1.43854      1.12134  1.07299  0.369208  1.1147   0.397504  
1 1 1 55 16 25 o 1.42617  0.275252  2.29757      0.757094 2.65455      1.00609  1.83152      1.14958  1.49002  0.344271  1.212    0.404214  
1 1 1 55 16 26 o 0.960213 0.330188  1.06928      0.767628 0.153478     0.990563 2.44605      1.21454  0.771548 0.337665  1.35829  0.411603  
1 1 1 55 16 27 o 0.947536 0.328575  1.07151      0.76151  0.979991     0.989584 1.20439      1.19244  0.938041 0.365718  1.0099   0.399371  
1 1 1 55 16 28 o 1.06948  0.326576  1.4552       0.762638 2.17214      1.01935  0.543695     1.14938  1.2649   0.375837  0.851707 0.368164  
1 1 1 55 16 29 o 0.721202 0.31524   0.287579     0.861144 -0.967713    1.13412  1.99668      1.32334  0.624691 0.30161   1.11795  0.425995  
1 1 1 55 16 30 o 1.19478  0.367305  2.09708      0.962525 3.12831      1.48104  1.34305      1.26644  1.31825  0.45812   0.960336 0.399372  
1 1 1 55 16 31 o 0.596421 0.288457  -0.677168    1.05373  -1.17965     1.55874  -0.254278    1.42997  0.660187 0.325601  0.708817 0.34135   
1 1 1 55 16 32 o 0.992819 0.400257  1.95227      1.2246   0.322695     1.9062   3.09748      1.59799  0.785547 0.381966  1.12304  0.455376  
1 1 1 55 17 0  o 2.14605  0.204277  4.76274      0.858527 4.76274      0.858527 4.76274      0.858527 2.16475  0.141607  ?        ?         
1 1 1 55 17 1  o 2.71745  0.117693  7.42138      0.639651 8.08839      0.839235 6.49677      0.988091 2.83276  0.14813   2.53146  0.195162  
1 1 1 55 17 2  o 7.20625  0.0842514 52.0626      1.21427  52.7972      1.71318  51.321       1.72133  7.24785  0.118185  7.14511  0.120455  
1 1 1 55 17 3  o 4.06733  0.0877277 16.5889      0.713634 16.3222      0.919441 16.9929      1.13179  4.0306   0.114058  4.10815  0.137749  
1 1 1 55 17 4  o 4.71732  0.0789588 22.3028      0.744948 22.6221      1.01624  21.932       1.09522  4.74645  0.107053  4.67157  0.117222  
1 1 1 55 17 5  f 5.72499  0.0781141 32.8469      0.894404 33.4851      1.27479  32.2282      1.2552   5.77394  0.110391  5.66445  0.110796  
1 1 1 55 17 6  o 3.50405  0.0834904 12.3099      0.58511  12.668       0.825988 11.9492      0.82896  3.55032  0.116326  3.44754  0.120225  
1 1 1 55 17 7  o 1.62679  0.157893  2.67164      0.513716 2.81106      0.647559 2.4349       0.843795 1.6646   0.194509  1.51331  0.289133  
1 1 1 55 17 8  o 2.83915  0.1238    8.10962      0.702975 7.08981      1.00315  9.09368      0.985403 2.6439   0.18971   2.99959  0.164256  
1 1 1 55 17 9  o 4.02112  0.095386  16.2283      0.767116 15.2896      1.09326  17.1386      1.07666  3.89475  0.140351  4.12574  0.13048   
1 1 1 55 17 10 o 2.34293  0.143685  5.5366       0.67329  5.68017      0.97392  5.40517      0.931826 2.36227  0.206141  2.30516  0.202118  
1 1 1 55 17 11 o 3.66736  0.106196  13.5213      0.77892  13.876       1.07595  13.1308      1.12909  3.70666  0.145137  3.60283  0.156695  
1 1 1 55 17 12 o 2.38581  0.14861   5.75525      0.70911  5.50823      1.04035  5.96959      0.9691   2.31792  0.224416  2.4191   0.200302  
1 1 1 55 17 13 o 2.53035  0.139053  6.46729      0.703704 5.64784      1.00547  7.25405      0.985216 2.34853  0.214063  2.66966  0.184521  
1 1 1 55 17 14 f 2.85384  0.13686   8.23106      0.781153 8.95392      1.0779   7.43151      1.13364  2.96447  0.181803  2.69223  0.21054   
1 1 1 55 17 15 o 0.878193 0.325955  0.672653     0.761973 0.676947     1.04937  0.667864     1.10822  0.955448 0.375656  0.968955 0.384431  
1 1 1 55 17 16 o 1.73954  0.165365  3.07733      0.57532  3.89174      0.834205 2.33861      0.794498 1.94492  0.214457  1.47225  0.279926  
1 1 1 55 17 17 o 0.947775 0.300422  0.950013     0.637815 0.917751     0.928379 0.978853     0.877762 0.986005 0.360679  0.994184 0.351974  
1 1 1 55 17 18 f 3.2283   0.112873  10.5207      0.728775 11.0454      1.06371  10.0565      1.00048  3.29179  0.16157   3.14184  0.159219  
1 1 1 55 17 19 o 2.64602  0.136509  7.10057      0.722409 5.96073      1.02305  8.23414      1.02023  2.40033  0.213107  2.8348   0.179948  
1 1 1 55 17 20 o 1.58033  0.224169  2.59983      0.708519 2.83506      1.02804  2.38702      0.977836 1.58825  0.334177  1.45146  0.342052  
1 1 1 55 17 21 o 2.61516  0.145325  6.96654      0.760093 5.73499      1.01912  8.51039      1.14105  2.34634  0.217173  2.86748  0.198963  
1 1 1 55 17 22 o 2.55226  0.153845  6.67412      0.785305 7.45346      1.10052  5.86559      1.12094  2.67219  0.205922  2.35393  0.238099  
1 1 1 55 17 23 o 2.21946  0.175109  5.1058       0.777295 5.71301      1.05543  4.38609      1.14905  2.31998  0.227466  1.99853  0.287472  
1 1 1 55 17 24 o 0.918787 0.324041  0.90953      0.743327 1.15244      0.960058 0.545968     1.17452  1.01837  0.367341  0.910357 0.381946  
1 1 1 55 17 25 o 0.859906 0.324779  0.743807     0.763572 0.43281      0.993261 1.19316      1.19393  0.833267 0.350497  1.037    0.402239  
1 1 1 55 17 26 o 1.49561  0.2678    2.56902      0.772076 2.72828      1.01     2.34512      1.19757  1.47921  0.347013  1.31428  0.410856  
1 1 1 55 17 27 o 2.2232   0.179814  5.25132      0.799522 5.22606      1.03803  5.28817      1.25363  2.16935  0.23925   2.12832  0.294511  
1 1 1 55 17 28 o 0.757073 0.322079  0.422075     0.854719 0.762545     1.11842  -0.0559482   1.32523  0.872997 0.369789  0.782508 0.361223  
1 1 1 55 17 29 o 0.537356 0.260974  -1.01355     0.885237 -0.321259    1.31311  -1.59031     1.19854  0.731021 0.344132  0.587145 0.289194  
1 1 1 55 17 30 o 0.744244 0.326422  0.498695     0.929829 -0.617891    1.34518  1.52035      1.28673  0.679866 0.328306  0.954359 0.400062  
1 1 1 55 17 31 o 0.973371 0.390872  1.79749      1.16136  3.50072      1.93687  0.841403     1.45116  1.10116  0.476985  0.8085   0.375041  
1 1 1 55 17 32 o 0.670769 0.315087  0.200291     1.0893   1.50032      1.69647  -0.71169     1.4209   0.831909 0.391488  0.634832 0.312648  
1 1 1 55 18 0  f 3.66488  0.121398  13.5109      0.887606 13.5109      0.887606 13.5109      0.887606 3.67029  0.0856069 ?        ?         
1 1 1 55 18 1  o 2.79285  0.106373  7.8318       0.594168 8.77215      0.798157 6.66295      0.889864 2.95198  0.13519   2.56727  0.173309  
1 1 1 55 18 2  o 2.84373  0.103333  8.11818      0.587701 7.55825      0.781132 8.84859      0.892158 2.73903  0.142593  2.96237  0.150582  
1 1 1 55 18 3  o 2.29578  0.130848  5.30388      0.600798 5.94464      0.753839 4.18825      0.994699 2.42732  0.155282  2.02395  0.245732  
1 1 1 55 18 4  o 7.03842  0.08233   49.6656      1.15895  50.0063      1.60047  49.29        1.68045  7.05437  0.113438  7.00165  0.120004  
1 1 1 55 18 5  o 7.29066  0.083487  53.2967      1.21735  51.8255      1.69548  54.8622      1.74895  7.17966  0.118075  7.3869   0.118382  
1 1 1 55 18 6  f 2.17415  0.109756  4.74944      0.47725  4.82905      0.627883 4.64053      0.734443 2.18861  0.143443  2.14176  0.171458  
1 1 1 55 18 7  o 2.48283  0.137498  6.21094      0.68277  6.42871      0.97743  6.00341      0.954156 2.51651  0.194203  2.43147  0.19621   
1 1 1 55 18 8  o 4.34751  0.096641  18.972       0.840295 19.1576      1.206    18.7968      1.17146  4.35997  0.138304  4.31937  0.135606  
1 1 1 55 18 9  o 2.92611  0.12255   8.61856      0.717188 7.95085      0.980329 9.38744      1.05197  2.80087  0.175004  3.04392  0.172799  
1 1 1 55 18 10 o 0.997187 0.311653  1.0434       0.689131 1.96235      0.95624  0.0504033    0.994013 1.33627  0.352628  0.805331 0.345113  
1 1 1 55 18 11 o 2.89315  0.127279  8.43872      0.736472 7.26238      1.01712  9.73516      1.06778  2.67062  0.190428  3.09704  0.172387  
1 1 1 55 18 12 o 4.61421  0.101196  21.4057      0.933876 22.0808      1.31897  20.7271      1.32244  4.67453  0.14108   4.52728  0.146053  
1 1 1 55 18 13 o 1.7525   0.227657  3.16176      0.797936 3.20931      1.06961  3.1021       1.19821  1.71711  0.323314  1.66897  0.368816  
1 1 1 55 18 14 o 0.575168 0.267806  -0.620072    0.748843 0.119767     1.06008  -1.35698     1.05798  0.837466 0.357557  0.621038 0.297739  
1 1 1 55 18 15 o 0.53769  0.253342  -0.748895    0.714673 -1.1733      1.03771  -0.365979    0.985693 0.631526 0.300752  0.72084  0.324665  
1 1 1 55 18 16 o 2.11304  0.188272  4.56927      0.795652 4.31847      1.27644  4.72864      1.01752  2.01219  0.317177  2.13479  0.238318  
1 1 1 55 18 17 o 2.39493  0.137089  5.81414      0.656638 6.18721      1.03153  5.55998      0.851427 2.44831  0.210661  2.32991  0.182716  
1 1 1 55 18 18 o 0.877829 0.307563  0.760975     0.668687 -0.434418    1.06477  1.53947      0.859267 0.735309 0.333845  1.17382  0.344023  
1 1 1 55 18 19 o 0.628655 0.273046  -0.0344274   0.637927 -0.463499    0.90796  0.383861     0.896478 0.667798 0.304546  0.830065 0.339525  
1 1 1 55 18 20 o 2.30932  0.153463  5.44316      0.708789 4.63686      0.984645 6.31028      1.02111  2.10344  0.234056  2.46614  0.207025  
1 1 1 55 18 21 o 2.54484  0.147268  6.61315      0.749546 6.9842       1.0363   6.20608      1.08544  2.59297  0.19983   2.43312  0.223055  
1 1 1 55 18 22 o 4.2532   0.1121    18.3486      0.953569 21.3993      1.32812  15.1026      1.36995  4.57112  0.145273  3.81657  0.179474  
1 1 1 55 18 23 o 1.3766   0.286487  2.14785      0.762672 2.24862      1.00714  2.01237      1.16776  1.36626  0.362511  1.27474  0.406747  
1 1 1 55 18 24 o 0.700669 0.298409  0.169526     0.735131 0.206345     0.960726 0.117517     1.14184  0.782626 0.337427  0.818738 0.360393  
1 1 1 55 18 25 o 1.67482  0.23385   3.0527       0.783315 3.25707      1.01972  2.75852      1.22345  1.6555   0.319379  1.44634  0.406279  
1 1 1 55 18 26 o 1.31077  0.306791  2.07948      0.790859 1.70061      1.05008  2.57604      1.20217  1.13706  0.386325  1.37271  0.408208  
1 1 1 55 18 27 o 0.926697 0.343922  1.03684      0.848249 -0.304866    1.16642  2.54287      1.23579  0.726221 0.33663   1.32489  0.417991  
1 1 1 55 18 28 o 1.38034  0.344445  2.56937      0.948882 3.90782      1.32143  1.14458      1.36339  1.6331   0.405845  0.949055 0.405358  
1 1 1 55 18 29 f 0.617196 0.289078  -0.339939    0.893401 -0.796624    1.2838   0.0889024    1.24405  0.671591 0.323425  0.760037 0.35052   
1 1 1 55 18 30 o 0.754044 0.336269  0.559455     1.03371  1.93509      1.5288   -0.599214    1.40307  0.976661 0.423422  0.678122 0.329093  
1 1 1 55 18 31 o 0.950019 0.387023  1.65852      1.16014  3.44335      1.70761  0.12843      1.58106  1.16668  0.471697  0.752657 0.361597  
1 1 1 55 19 0  o 2.12136  0.180636  4.62502      0.753607 4.62502      0.753607 4.62502      0.753607 2.13633  0.125715  ?        ?         
1 1 1 55 19 1  o 1.43205  0.186443  2.07864      0.533992 2.31003      0.726786 1.8072       0.787182 1.50278  0.241813  1.29554  0.307924  
1 1 1 55 19 2  o 5.16898  0.0737052 26.7756      0.761961 27.0568      1.07743  26.4942      1.07772  5.1906   0.103786  5.13612  0.104916  
1 1 1 55 19 3  o 5.51591  0.0836321 30.5095      0.922614 32.0254      1.28897  28.9168      1.32118  5.64453  0.114178  5.36133  0.123214  
1 1 1 55 19 4  o 0.518016 0.230309  -0.171135    0.481599 -0.397385    0.657648 0.0905065    0.707218 0.570517 0.259914  0.701401 0.295425  
1 1 1 55 19 5  o 2.04969  0.119407  4.2252       0.489493 4.53883      0.668996 3.86383      0.718105 2.11984  0.157794  1.95239  0.183904  
1 1 1 55 19 6  o 2.76481  0.127369  7.69417      0.704302 6.84342      1.01044  8.49809      0.982228 2.59601  0.194613  2.89822  0.169454  
1 1 1 55 19 7  o 0.739537 0.297104  0.293313     0.671403 -1.10312     0.986861 1.49665      0.916096 0.623922 0.295306  1.18249  0.357302  
1 1 1 55 19 8  o 0.985785 0.31131   1.01203      0.685359 0.563801     1.00056  1.40823      0.940691 0.922313 0.365485  1.15209  0.364809  
1 1 1 55 19 9  o 1.27015  0.281157  1.73829      0.695245 1.49767      0.97949  1.98262      0.987004 1.18205  0.371978  1.34163  0.36019   
1 1 1 55 19 10 o 4.65425  0.101829  21.776       0.947875 21.8494      1.34876  21.7044      1.33238  4.64958  0.145041  4.63456  0.143744  
1 1 1 55 19 11 o 4.19135  0.108587  17.6783      0.910255 16.4927      1.29434  18.8385      1.28036  4.03332  0.160456  4.31489  0.148365  
1 1 1 55 19 12 o 2.42211  0.170032  5.96347      0.823672 6.5798       1.18555  5.38838      1.1452   2.52553  0.234713  2.28043  0.251092  
1 1 1 55 19 13 o 2.69467  0.144794  7.35094      0.780343 7.75009      1.16847  7.0296       1.04841  2.74751  0.212642  2.62061  0.200031  
1 1 1 55 19 14 o 1.94662  0.185673  3.86982      0.722872 4.02707      1.08857  3.74577      0.96682  1.96034  0.277647  1.8975   0.254761  
1 1 1 55 19 15 o 1.29577  0.281551  1.82807      0.709235 1.2826       1.02052  2.33764      0.986371 1.10785  0.380736  1.44655  0.345243  
1 1 1 55 19 16 o 1.73682  0.219725  3.12091      0.763244 2.24775      1.12804  3.85816      1.03653  1.40092  0.389014  1.91471  0.270677  
1 1 1 55 19 17 o 0.906078 0.324401  0.793957     0.747488 -0.157999    1.11467  1.57185      1.00763  0.797886 0.35308   1.18731  0.377729  
1 1 1 55 19 18 o 0.876185 0.294941  0.785973     0.612052 2.1289       0.977963 -0.0787002   0.784733 1.36892  0.354482  0.68544  0.300257  
1 1 1 55 19 19 o 0.942421 0.301105  0.956625     0.639786 0.699947     0.950787 1.16902      0.864889 0.918877 0.35843   1.04073  0.350608  
1 1 1 55 19 20 o 0.57321  0.263019  -0.415101    0.690213 -0.873798    1.04199  -0.0564904   0.921325 0.659205 0.309369  0.738867 0.324489  
1 1 1 55 19 21 o 0.607462 0.275705  -0.294622    0.724832 -0.332083    1.03307  -0.2583      1.01724  0.72538  0.329204  0.73137  0.329592  
1 1 1 55 19 22 o 1.15905  0.32226   1.56511      0.773633 1.0595       1.05896  2.14384      1.13295  1.00987  0.382164  1.31982  0.397055  
1 1 1 55 19 23 o 1.18215  0.309453  1.62907      0.740173 1.48875      0.963973 1.83065      1.15535  1.11748  0.370147  1.21572  0.405227  
1 1 1 55 19 24 o 1.89782  0.212086  3.84835      0.805005 4.11727      1.0521   3.46857      1.25027  1.92273  0.273595  1.66249  0.38356   
1 1 1 55 19 25 o 0.924942 0.326426  0.996665     0.754422 0.878853     0.988515 1.16101      1.16752  0.916056 0.363192  1.00193  0.395506  
1 1 1 55 19 26 o 0.9157   0.341803  0.967755     0.840227 1.33604      1.15989  0.561097     1.21882  1.031    0.397173  0.878932 0.379517  
1 1 1 55 19 27 f 1.40974  0.331534  2.57441      0.920116 3.31941      1.31869  1.86758      1.28446  1.49156  0.422707  1.11468  0.421167  
1 1 1 55 19 28 o 0.67668  0.308319  -0.0328646   0.926059 -1.24663     1.28947  1.25993      1.33079  0.638491 0.311265  0.957479 0.404363  
1 1 1 55 19 29 o 0.932115 0.361786  1.31828      0.96618  1.51865      1.40539  1.1387       1.33046  0.954439 0.409729  0.893377 0.391155  
1 1 1 55 19 30 o 0.655893 0.311963  -0.16665     1.11341  -0.358426    1.71289  -0.0263318   1.46517  0.724609 0.354345  0.722638 0.347399  
1 1 1 55 19 31 o 0.956223 0.386028  1.84133      1.14126  1.80958      1.65259  1.87028      1.57798  0.88565  0.406635  0.898362 0.407364  
1 1 1 55 20 0  o 2.33571  0.173887  5.57801      0.801951 5.57801      0.801951 5.57801      0.801951 2.34896  0.121447  ?        ?         
1 1 1 55 20 1  o 2.37979  0.121187  5.6968       0.576799 5.52564      0.795829 5.8862       0.837174 2.33698  0.170269  2.41147  0.173582  
1 1 1 55 20 2  o 5.18235  0.0778483 26.9223      0.806875 25.762       1.1114   28.2155      1.1733   5.06324  0.109752  5.29863  0.110717  
1 1 1 55 20 3  o 3.76566  0.087373  14.2239      0.658034 13.9572      0.92024  14.503       0.94132  3.72434  0.123544  3.79637  0.123976  
1 1 1 55 20 4  o 1.62675  0.139954  2.66804      0.455341 2.87385      0.613825 2.41622      0.678993 1.68344  0.182312  1.53865  0.220646  
1 1 1 55 20 5  o 2.2564   0.119933  5.12372      0.541231 4.84588      0.714249 5.4984       0.829434 2.18844  0.163187  2.32853  0.178103  
1 1 1 55 20 6  o 0.48463  0.23132   -0.784315    0.621002 -0.417433    0.94082  -1.06757     0.826669 0.699581 0.316024  0.553907 0.264983  
1 1 1 55 20 7  o 3.68208  0.1036    13.6302      0.76293  14.9742      1.15487  12.5895      1.01626  3.84827  0.150051  3.53011  0.143942  
1 1 1 55 20 8  o 2.85533  0.126247  8.2185       0.720954 8.86522      1.09692  7.72666      0.956593 2.95191  0.185798  2.75889  0.173366  
1 1 1 55 20 9  o 2.60819  0.135361  6.86709      0.706092 6.96715      1.04906  6.78421      0.954723 2.61239  0.200786  2.58188  0.184889  
1 1 1 55 20 10 o 3.62124  0.112077  13.2039      0.811716 13.1753      1.18853  13.2289      1.11125  3.60284  0.164943  3.61367  0.153756  
1 1 1 55 20 11 f 3.74339  0.112149  14.1144      0.839637 11.9018      1.17421  16.4294      1.20109  3.42094  0.171622  4.02756  0.149109  
1 1 1 55 20 12 o 0.906725 0.316402  0.800712     0.707069 1.0626       1.03704  0.573207     0.966571 1.05281  0.381585  0.907369 0.35933   
1 1 1 55 20 13 o 1.6564   0.212846  2.82047      0.705115 2.81181      1.03289  2.82803      0.964944 1.59618  0.334308  1.61087  0.310595  
1 1 1 55 20 14 o 3.38429  0.122214  11.5655      0.827215 9.81367      1.19331  13.1861      1.14774  3.09505  0.192777  3.60129  0.159351  
1 1 1 55 20 15 o 0.860784 0.321523  0.649713     0.74373  0.918327     1.08172  0.408895     1.02422  1.01441  0.385553  0.879263 0.361823  
1 1 1 55 20 16 o 0.802543 0.313905  0.477361     0.730269 -0.612708    1.04129  1.53241      1.02443  0.700466 0.322101  1.17625  0.381539  
1 1 1 55 20 17 o 2.37727  0.165147  5.76949      0.785198 5.17955      1.14735  6.28917      1.07687  2.21971  0.258447  2.46309  0.218602  
1 1 1 55 20 18 o 1.40051  0.280348  2.15278      0.757531 1.13561      1.10292  3.06115      1.04227  1.06404  0.392711  1.65419  0.326666  
1 1 1 55 20 19 o 1.79648  0.17741   3.31721      0.63743  3.81731      0.981208 2.95204      0.838454 1.89833  0.25844   1.67214  0.250713  
1 1 1 55 20 20 o 3.0193   0.140746  9.30425      0.849909 8.70735      1.14508  10.0365      1.26824  2.89264  0.197929  3.10152  0.204456  
1 1 1 55 20 21 o 2.36039  0.166086  5.75297      0.784058 4.70908      1.05627  7.03398      1.1701   2.09286  0.25235   2.57493  0.227211  
1 1 1 55 20 22 f 0.683623 0.295834  0.0642852    0.74368  0.145658     1.01455  -0.0302098   1.0933   0.7928   0.34434   0.785841 0.348468  
1 1 1 55 20 23 o 1.22068  0.313989  1.76035      0.770796 0.44243      1.02898  3.44541      1.16351  0.846881 0.356508  1.68831  0.355725  
1 1 1 55 20 24 o 1.24567  0.321254  1.88063      0.805314 1.41087      1.05571  2.53441      1.24544  1.06885  0.38524   1.37068  0.417096  
1 1 1 55 20 25 o 0.968475 0.350156  1.12757      0.872776 1.14038      1.19008  1.11266      1.28382  0.994323 0.397154  0.996684 0.406764  
1 1 1 55 20 26 f 2.06277  0.216947  4.69025      0.895022 5.26762      1.24233  4.06719      1.29055  2.10438  0.295176  1.74372  0.380583  
1 1 1 55 20 27 o 0.621529 0.288736  -0.295308    0.864203 0.278787     1.2501   -0.820815    1.19603  0.799326 0.362512  0.656717 0.315261  
1 1 1 55 20 28 o 0.863021 0.34499   0.938393     0.898872 0.907214     1.25977  0.97073      1.28294  0.882791 0.38357   0.895159 0.387983  
1 1 1 55 20 29 o 0.81439  0.348783  0.896149     1.01419  1.30247      1.53306  0.579938     1.35242  0.888682 0.402324  0.79067  0.36496   
1 1 1 55 20 30 o 0.906537 0.376681  1.41366      1.12515  1.2797       1.68185  1.52219      1.51378  0.871811 0.404156  0.903409 0.404792  
1 1 1 55 20 31 o 0.771705 0.350271  1.10146      1.17031  -0.0729414   1.72534  2.10227      1.59274  0.682192 0.337917  0.860082 0.396642  
1 1 1 55 21 0  o 7.48603  0.119961  56.267       1.79502  56.267       1.79502  56.267       1.79502  7.49358  0.0847151 ?        ?         
1 1 1 55 21 1  o 0.902941 0.279904  0.846245     0.557393 0.516663     0.766543 1.21604      0.811961 0.837504 0.322829  1.07546  0.338724  
1 1 1 55 21 2  f 1.99373  0.142169  4.01242      0.566893 3.98539      0.763784 4.04558      0.845908 1.97927  0.192946  1.99055  0.21248   
1 1 1 55 21 3  f 2.92423  0.101275  8.59332      0.592305 9.04752      0.834866 8.13302      0.840452 2.99401  0.139423  2.83698  0.148125  
1 1 1 55 21 4  o 3.44979  0.0833408 11.9421      0.575016 12.9105      0.835627 11.0711      0.792478 3.58113  0.116671  3.31567  0.119505  
1 1 1 55 21 5  o 1.71931  0.182927  3.00556      0.629019 3.74294      0.949554 2.42895      0.839678 1.90543  0.249171  1.50493  0.289299  
1 1 1 55 21 6  o 2.7462   0.124407  7.60058      0.683294 7.28353      1.00329  7.87487      0.933161 2.67518  0.187518  2.78659  0.167438  
1 1 1 55 21 7  o 3.76508  0.103116  14.2532      0.776481 13.4865      1.1084   14.992       1.0881   3.65084  0.151801  3.85225  0.141229  
1 1 1 55 21 8  o 4.80217  0.0924815 23.167       0.888224 23.4126      1.30739  22.9564      1.21047  4.81476  0.135769  4.7706   0.126868  
1 1 1 55 21 9  o 2.05315  0.170324  4.28486      0.699401 2.91888      1.01777  5.50711      0.962732 1.6364   0.322463  2.31838  0.20763   
1 1 1 55 21 10 o 2.77878  0.134278  7.80258      0.746258 7.01774      1.08359  8.51068      1.02925  2.61661  0.207059  2.89073  0.178025  
1 1 1 55 21 11 o 0.898453 0.311172  0.79199      0.682801 0.941115     1.0147   0.668587     0.923047 1.01463  0.376235  0.918871 0.354242  
1 1 1 55 21 12 o 4.68839  0.104816  22.1314      0.982833 23.5742      1.48468  21.006       1.31128  4.81945  0.15403   4.55359  0.143984  
1 1 1 55 21 13 o 1.84138  0.19837   3.47863      0.73055  4.13561      1.0787   2.92196      0.99293  1.98574  0.271611  1.63354  0.315167  
1 1 1 55 21 14 o 0.94105  0.319507  0.906925     0.718254 1.78398      1.06756  0.181572     0.970847 1.25843  0.386816  0.812884 0.344438  
1 1 1 55 21 15 o 2.4563   0.160736  6.1504       0.78963  4.99423      1.08535  7.45055      1.15095  2.18483  0.248383  2.68372  0.214432  
1 1 1 55 21 16 o 2.45505  0.161582  6.14758      0.793382 5.92029      1.14363  6.35846      1.10157  2.38118  0.24014   2.47513  0.222529  
1 1 1 55 21 17 o 1.53291  0.239135  2.461        0.733143 1.77307      1.0245   3.18306      1.0496   1.24527  0.378167  1.6912   0.321906  
1 1 1 55 21 18 o 0.537863 0.256342  -0.856856    0.755284 -0.992109    1.08046  -0.727601    1.05622  0.661288 0.311554  0.685406 0.318717  
1 1 1 55 21 19 o 1.20571  0.323703  1.66347      0.797163 2.4037       1.1654   1.01256      1.09282  1.41691  0.396041  1.01863  0.387419  
1 1 1 55 21 20 o 2.5193   0.158277  6.52927      0.797495 5.84922      1.04537  7.47609      1.23349  2.35264  0.222169  2.65302  0.232468  
1 1 1 55 21 21 o 2.48032  0.162992  6.35496      0.808542 5.70101      1.12223  7.06082      1.16592  2.30434  0.243505  2.57658  0.226253  
1 1 1 55 21 22 o 1.02534  0.32502   1.22205      0.746535 0.843975     1.0137   1.6701       1.10353  0.938078 0.369092  1.16704  0.396036  
1 1 1 55 21 23 o 0.858686 0.328994  0.73563      0.792831 1.5438       1.12228  -0.0695241   1.12018  1.11356  0.397613  0.771919 0.346975  
1 1 1 55 21 24 o 1.55464  0.301155  2.87239      0.902953 3.30724      1.24908  2.39642      1.30681  1.57942  0.395843  1.30452  0.43097   
1 1 1 55 21 25 o 0.682932 0.302971  0.0218107    0.827698 -0.877537    1.14617  1.00193      1.19654  0.659207 0.314556  0.957877 0.392103  
1 1 1 55 21 26 o 1.36465  0.329575  2.42237      0.890679 2.95983      1.29261  1.93649      1.22902  1.39254  0.425155  1.13253  0.41492   
1 1 1 55 21 27 o 0.902284 0.349639  1.06661      0.901628 0.854592     1.29051  1.2688       1.26022  0.88496  0.386371  0.957013 0.398215  
1 1 1 55 21 28 o 1.18661  0.363698  2.16554      0.944675 1.77838      1.3763   2.51044      1.299    0.999047 0.415956  1.16982  0.426766  
1 1 1 55 21 29 o 0.895314 0.371743  1.38586      1.09458  1.16168      1.61117  1.57801      1.49166  0.849318 0.394437  0.902215 0.403102  
1 1 1 55 21 30 f 0.476336 0.240801  -2.42958     1.10918  -1.43673     1.63583  -3.27451     1.50905  0.634319 0.316433  0.528821 0.269324  
1 1 1 55 22 0  o 0.411122 0.285778  -0.558899    0.784391 -0.558899    0.784391 -0.558899    0.784391 0.322725 0.228232  ?        ?         
1 1 1 55 22 1  f 2.93994  0.104553  8.69079      0.614759 9.1102       0.823141 8.16179      0.924452 3.0042   0.136998  2.83806  0.162867  
1 1 1 55 22 2  o 4.15262  0.0867441 17.3097      0.720431 17.4827      0.987629 17.113       1.05322  4.16653  0.118519  4.11988  0.127821  
1 1 1 55 22 3  o 3.25861  0.0921734 10.6642      0.600714 11.4723      0.84779  9.84949      0.851297 3.37362  0.12565   3.12374  0.136262  
1 1 1 55 22 4  o 2.89424  0.0987235 8.41824      0.57146  9.31266      0.755837 7.2247       0.873124 3.0397   0.124328  2.66973  0.163523  
1 1 1 55 22 5  o 3.91261  0.09787   15.3852      0.765854 15.3664      1.12772  15.4013      1.04335  3.89867  0.144629  3.90622  0.13355   
1 1 1 55 22 6  o 2.8082   0.123953  7.95168      0.696172 8.21947      1.02464  7.72206      0.948798 2.84196  0.180271  2.75675  0.172086  
1 1 1 55 22 7  o 2.55481  0.138282  6.59766      0.706568 7.44133      1.02924  5.84567      0.971711 2.70015  0.190591  2.38987  0.203298  
1 1 1 55 22 8  f 2.61664  0.145884  6.93089      0.763452 5.71495      1.10286  8.04975      1.05791  2.35348  0.234303  2.80851  0.188341  
1 1 1 55 22 9  o 4.50578  0.0997078 20.421       0.898523 19.5831      1.34335  21.0994      1.2087   4.3951   0.152823  4.56989  0.132246  
1 1 1 55 22 10 o 3.52047  0.11712   12.4972      0.824637 13.162       1.20434  11.9103      1.13149  3.59722  0.167399  3.42262  0.165296  
1 1 1 55 22 11 o 1.83624  0.193137  3.45137      0.709295 3.77451      1.05263  3.18263      0.959949 1.89672  0.277488  1.74226  0.27549   
1 1 1 55 22 12 o 5.29594  0.100774  28.237       1.06738  26.7037      1.5174   29.7388      1.50173  5.1302   0.147889  5.41867  0.13857   
1 1 1 55 22 13 o 3.45685  0.120443  12.0747      0.832706 10.7846      1.21809  13.2066      1.14094  3.24314  0.187795  3.60176  0.158386  
1 1 1 55 22 14 o 2.27943  0.167603  5.30542      0.764076 4.77185      1.10415  5.79571      1.05843  2.13148  0.25901   2.36339  0.223923  
1 1 1 55 22 15 o 4.23438  0.112927  18.1047      0.956348 16.2843      1.32605  20.0778      1.38056  3.99349  0.166026  4.43996  0.15547   
1 1 1 55 22 16 o 1.37844  0.287428  2.09259      0.766413 2.01448      1.12946  2.15924      1.04339  1.31934  0.39635   1.36934  0.371558  
1 1 1 55 22 17 o 3.52079  0.120065  12.5532      0.845446 11.8583      1.15299  13.3612      1.2434   3.40086  0.169515  3.60848  0.172289  
1 1 1 55 22 18 o 2.55817  0.155768  6.69901      0.796959 6.54419      1.08844  6.87794      1.17013  2.50132  0.217574  2.55843  0.228681  
1 1 1 55 22 19 o 2.16201  0.184893  4.85323      0.799479 3.55408      1.14729  6.07958      1.11468  1.75476  0.33901   2.39374  0.232832  
1 1 1 55 22 20 o 2.79288  0.151172  8.01879      0.844409 7.94434      1.1431   8.10821      1.25277  2.74682  0.208078  2.76199  0.226787  
1 1 1 55 22 21 o 0.971966 0.332505  1.06005      0.77788  1.74217      1.06325  0.274479     1.14104  1.19306  0.38874   0.849286 0.366968  
1 1 1 55 22 22 o 1.78848  0.231604  3.45743      0.828438 1.61624      1.16338  5.35151      1.17997  1.13968  0.405039  2.19738  0.268495  
1 1 1 55 22 23 o 0.897339 0.341359  0.868091     0.848559 0.390171     1.22621  1.30728      1.17548  0.863053 0.376716  1.03978  0.399985  
1 1 1 55 22 24 o 0.747453 0.322217  0.263541     0.875824 0.940345     1.23918  -0.412006    1.23803  0.955376 0.396038  0.742086 0.345068  
1 1 1 55 22 25 o 0.555186 0.265056  -0.718469    0.816505 -0.509262    1.15426  -0.928001    1.15516  0.691681 0.324791  0.646792 0.310335  
1 1 1 55 22 26 o 1.46331  0.33759   2.85735      0.968579 2.02376      1.3063   3.87526      1.44351  1.12131  0.42442   1.55739  0.442547  
1 1 1 55 22 27 o 0.755798 0.330856  0.424045     0.951516 0.419818     1.37612  0.427917     1.31711  0.821923 0.374859  0.814856 0.370317  
1 1 1 55 22 28 o 0.848489 0.342402  1.06133      0.89739  1.35964      1.27275  0.766418     1.26548  0.899377 0.388077  0.806614 0.365332  
1 1 1 55 22 29 o 1.1611   0.401807  2.4812       1.13829  0.610767     1.69444  4.01953      1.53667  0.805696 0.383982  1.36713  0.467338  
1 1 1 55 22 30 o 0.780431 0.352782  1.16193      1.17435  2.98099      1.65381  -0.688174    1.66785  0.956884 0.426068  0.643684 0.320881  
1 1 1 55 23 0  o 0.997079 0.409664  1.43645      0.803632 1.43645      0.803632 1.43645      0.803632 1.08163  0.303802  ?        ?         
1 1 1 55 23 1  f 4.0654   0.0860176 16.5929      0.699393 16.5091      0.955967 16.6893      1.02591  4.04804  0.118078  4.06795  0.126097  
1 1 1 55 23 2  o 1.95295  0.144125  3.85677      0.562936 3.31366      0.729707 4.65515      0.884726 1.80043  0.202648  2.13287  0.207402  
1 1 1 55 23 3  o 3.83177  0.0826292 14.7375      0.633232 15.6849      0.926095 13.9055      0.867796 3.94548  0.117361  3.71508  0.116794  
1 1 1 55 23 4  o 1.53896  0.211762  2.42804      0.651788 2.10641      0.935043 2.73202      0.909042 1.38074  0.340333  1.59143  0.296653  
1 1 1 55 23 5  o 3.50623  0.107914  12.3754      0.756745 12.7657      1.11465  12.0418      1.03068  3.54789  0.157086  3.4481   0.149456  
1 1 1 55 23 6  o 2.59678  0.131572  6.81088      0.683326 7.13143      0.976557 6.50337      0.956494 2.64442  0.184645  2.52399  0.18948   
1 1 1 55 23 7  o 3.81449  0.102794  14.6408      0.78421  14.939       1.13082  14.3646      1.08847  3.84065  0.147217  3.76697  0.144476  
1 1 1 55 23 8  o 0.937288 0.31216   0.897958     0.685603 1.46881      0.997661 0.387122     0.943761 1.16619  0.376348  0.854696 0.348776  
1 1 1 55 23 9  o 2.22872  0.15785   5.04402      0.703607 5.51867      1.03652  4.63839      0.95819  2.31305  0.224059  2.12     0.225988  
1 1 1 55 23 10 o 2.25954  0.156827  5.18674      0.708714 6.27439      1.04286  4.25336      0.966079 2.46928  0.211168  2.0252   0.238515  
1 1 1 55 23 11 f 1.63254  0.214002  2.74842      0.698733 3.19995      1.01684  2.34448      0.961771 1.7123   0.308151  1.44977  0.337672  
1 1 1 55 23 12 o 4.26454  0.112123  18.3542      0.956301 18.5593      1.37868  18.164       1.3276   4.2675   0.161532  4.22392  0.157152  
1 1 1 55 23 13 o 1.57884  0.233983  2.59548      0.738844 2.90966      1.06603  2.30505      1.02494  1.61094  0.341294  1.42397  0.359594  
1 1 1 55 23 14 o 2.79776  0.140559  7.94573      0.786501 8.05091      1.14008  7.85021      1.08642  2.79321  0.20408   2.7612   0.19673   
1 1 1 55 23 15 o 2.42593  0.16705   6.01938      0.810501 4.17884      1.15785  7.7878       1.13494  1.97615  0.292956  2.74314  0.206868  
1 1 1 55 23 16 o 3.2757   0.123742  10.8746      0.810682 10.5241      1.11838  11.2628      1.17681  3.20146  0.174667  3.31037  0.177746  
1 1 1 55 23 17 o 2.19597  0.178679  4.96948      0.784745 3.59177      1.05299  6.69055      1.17692  1.8241   0.288632  2.52195  0.233335  
1 1 1 55 23 18 o 2.79191  0.148763  7.98374      0.830669 7.43127      1.15519  8.57525      1.19532  2.65803  0.217302  2.86063  0.208927  
1 1 1 55 23 19 o 1.00655  0.325937  1.14901      0.747833 0.715712     1.03999  1.61294      1.07613  0.922741 0.370157  1.16413  0.391087  
1 1 1 55 23 20 o 2.2099   0.186041  5.10083      0.822267 4.83455      1.19008  5.34408      1.13743  2.09236  0.284386  2.21969  0.256214  
1 1 1 55 23 21 o 3.08754  0.154193  9.86116      0.952157 10.2645      1.25319  9.31035      1.46447  3.11405  0.201215  2.92161  0.250627  
1 1 1 55 23 22 o 1.92969  0.239493  4.07708      0.924296 2.80617      1.28941  5.42043      1.32565  1.44136  0.421101  2.16506  0.306145  
1 1 1 55 23 23 o 2.02581  0.217651  4.46713      0.88184  3.84194      1.2187   5.15422      1.2776   1.7427   0.361749  2.09663  0.304679  
1 1 1 55 23 24 o 0.917829 0.34343   0.996804     0.849262 1.58117      1.23852  0.478192     1.16676  1.07829  0.411757  0.846484 0.368488  
1 1 1 55 23 25 o 0.80974  0.338199  0.635285     0.914262 0.0117943    1.33609  1.1843       1.25376  0.785546 0.362653  0.957745 0.397773  
1 1 1 55 23 26 o 0.715101 0.322092  0.146054     0.97022  1.00356      1.40145  -0.6432      1.34452  0.915548 0.401154  0.703907 0.337028  
1 1 1 55 23 27 o 1.00472  0.360346  1.60041      0.922676 0.444462     1.31958  2.70618      1.29062  0.782898 0.36104   1.2053   0.42679   
1 1 1 55 23 28 o 0.589613 0.282017  -0.404385    0.935357 -0.0370854   1.38828  -0.709728    1.26578  0.711473 0.341088  0.632591 0.30839   
1 1 1 55 23 29 f 0.675874 0.315629  0.20825      1.04997  -0.749475    1.4931   1.14515      1.47678  0.652292 0.321258  0.81735  0.378835  
1 1 1 55 24 0  o 2.21448  0.203522  5.08334      0.883889 5.08334      0.883889 5.08334      0.883889 2.23509  0.141105  ?        ?         
1 1 1 55 24 1  f 3.66429  0.0942656 13.4958      0.690832 13.3859      0.918417 13.639       1.04841  3.64197  0.126088  3.67151  0.142776  
1 1 1 55 24 2  o 1.81113  0.150895  3.32341      0.546579 3.69178      0.742074 2.88657      0.808098 1.90049  0.195232  1.67087  0.241819  
1 1 1 55 24 3  o 4.46153  0.0839176 19.9869      0.748802 20.083       1.1434   19.9147      0.990843 4.46008  0.128181  4.44651  0.111418  
1 1 1 55 24 4  o 0.908972 0.305946  0.832211     0.658579 1.77134      0.951733 -0.0306337   0.912262 1.26434  0.359364  0.753718 0.32693   
1 1 1 55 24 5  o 5.01209  0.0887955 25.239       0.890103 25.0553      1.25756  25.4234      1.26004  4.98191  0.126212  5.01862  0.125536  
1 1 1 55 24 6  o 0.851198 0.302389  0.682261     0.648367 0.7176       0.946274 0.65099      0.890157 0.937538 0.35936   0.904694 0.348061  
1 1 1 55 24 7  o 3.39922  0.11185   11.6443      0.760404 12.2134      1.10682  11.1356      1.04646  3.4672   0.159613  3.3112   0.158018  
1 1 1 55 24 8  o 2.04379  0.172145  4.25634      0.703657 4.70898      1.04102  3.87558      0.954803 2.12935  0.244445  1.93093  0.247239  
1 1 1 55 24 9  o 2.23845  0.157943  5.09385      0.707094 5.74539      1.04524  4.54409      0.960139 2.35863  0.221577  2.0953   0.229117  
1 1 1 55 24 10 o 4.13292  0.103585  17.2102      0.856216 16.3708      1.2422   17.97        1.1818   4.01239  0.154796  4.21002  0.140355  
1 1 1 55 24 11 o 1.07009  0.310948  1.25911      0.704917 1.64918      1.04315  0.931279     0.956304 1.2134   0.384158  0.990602 0.365664  
1 1 1 55 24 12 o 2.08773  0.195567  4.48457      0.816582 4.95581      1.13815  3.98466      1.17225  2.17047  0.262189  1.93001  0.303691  
1 1 1 55 24 13 o 2.86269  0.135073  8.30966      0.773345 7.55914      1.09295  9.06218      1.0944   2.70736  0.201848  2.97191  0.184124  
1 1 1 55 24 14 o 3.84831  0.121187  14.989       0.932727 14.0365      1.33185  15.9058      1.30666  3.69744  0.180104  3.94386  0.165658  
1 1 1 55 24 15 o 2.32166  0.163775  5.5172       0.76046  6.35912      1.03382  4.52453      1.12256  2.47473  0.208875  2.06098  0.272337  
1 1 1 55 24 16 o 2.09707  0.179105  4.53163      0.751191 3.39126      1.04537  5.74918      1.08017  1.74318  0.31104   2.3394   0.230865  
1 1 1 55 24 17 o 0.549524 0.258305  -0.672952    0.734454 -0.868961    1.01911  -0.461137    1.05941  0.645683 0.303728  0.716088 0.327439  
1 1 1 55 24 18 o 2.49828  0.163029  6.43983      0.814583 6.67513      1.1334   6.18843      1.17153  2.50842  0.22592   2.40401  0.243662  
1 1 1 55 24 19 o 1.9603   0.213855  4.06461      0.838444 1.66026      1.16908  6.61102      1.20313  1.17315  0.407088  2.48047  0.242519  
1 1 1 55 24 20 o 0.95829  0.33276   1.03187      0.781258 1.68393      1.17215  0.510641     1.04798  1.16684  0.40736   0.86749  0.362188  
1 1 1 55 24 21 o 0.925191 0.339209  0.945674     0.821545 0.346148     1.19329  1.48592      1.13276  0.857838 0.373028  1.0965   0.39867   
1 1 1 55 24 22 o 0.910261 0.347193  0.916362     0.879733 0.393654     1.23983  1.44638      1.24848  0.861856 0.377474  1.06908  0.412016  
1 1 1 55 24 23 o 0.959602 0.340554  1.11728      0.822169 1.54099      1.21329  0.757518     1.118    1.08052  0.409016  0.898705 0.374583  
1 1 1 55 24 24 o 0.872327 0.352317  0.851718     0.951241 0.165128     1.28109  1.69546      1.42015  0.80305  0.365023  1.07208  0.431519  
1 1 1 55 24 25 o 1.13344  0.378518  1.89893      1.00807  1.57743      1.51599  2.15377      1.34971  1.01572  0.4304    1.14097  0.431546  
1 1 1 55 24 26 o 1.45784  0.34036   2.93316      0.975316 2.87786      1.39461  2.9861       1.3645   1.26812  0.444182  1.30606  0.44038   
1 1 1 55 24 27 o 1.10421  0.358549  1.96202      0.904515 1.89593      1.28069  2.02779      1.27767  0.992622 0.40588   1.02017  0.409848  
1 1 1 55 24 28 o 0.778489 0.340543  0.77318      1.00655  -0.240807    1.41424  1.81406      1.43288  0.699099 0.337355  0.945148 0.409845  
1 1 1 55 24 29 o 0.625561 0.298908  0.0179569    1.04402  1.40591      1.51936  -1.22362     1.43702  0.790517 0.371566  0.586651 0.293207  
1 1 1 55 25 0  f 0.54691  0.346844  0.183683     0.799668 0.183683     0.799668 0.183683     0.799668 0.477674 0.298203  ?        ?         
1 1 1 55 25 1  o 5.22216  0.0798347 27.3758      0.833819 27.5458      1.174    27.2027      1.18446  5.22847  0.11227   5.19519  0.113996  
1 1 1 55 25 2  o 2.2975   0.119903  5.32453      0.550952 6.07452      0.755185 4.47108      0.805582 2.44695  0.154312  2.09096  0.192635  
1 1 1 55 25 3  o 2.8591   0.0997969 8.22427      0.570659 8.43106      0.766242 7.96672      0.855122 2.88801  0.132659  2.80251  0.152564  
1 1 1 55 25 4  o 1.67255  0.202677  2.86855      0.677973 3.06167      0.970744 2.68465      0.947285 1.70715  0.284317  1.56749  0.313244  
1 1 1 55 25 5  o 2.00423  0.166578  4.08718      0.667722 3.71671      0.970735 4.41987      0.919917 1.88858  0.257001  2.07007  0.222195  
1 1 1 55 25 6  o 2.58054  0.134815  6.7374       0.695793 8.40028      1.02502  5.31639      0.947544 2.8687   0.178655  2.27385  0.208357  
1 1 1 55 25 7  o 1.6692   0.2077    2.86625      0.693387 2.05607      1.01103  3.58573      0.952759 1.35083  0.365399  1.85318  0.25706   
1 1 1 55 25 8  o 1.41993  0.2548    2.16355      0.69734  2.28461      1.02171  2.05798      0.954125 1.42248  0.358913  1.3529   0.350042  
1 1 1 55 25 9  o 2.63773  0.137216  7.05397      0.723879 5.75893      1.02631  8.33604      1.02115  2.35923  0.217508  2.85395  0.178901  
1 1 1 55 25 10 o 0.821833 0.311419  0.566203     0.703962 0.537334     1.04413  0.590261     0.953176 0.911037 0.368638  0.89896  0.356569  
1 1 1 55 25 11 o 2.07093  0.178195  4.39222      0.738059 3.84654      1.04795  4.92928      1.03965  1.90728  0.274724  2.17342  0.239173  
1 1 1 55 25 12 o 1.65687  0.225555  2.85278      0.747432 3.68239      1.08842  2.11243      1.0282   1.85849  0.292824  1.35934  0.368843  
1 1 1 55 25 13 o 1.68683  0.225959  2.9678       0.76231  2.53665      1.13246  3.32503      1.03083  1.47778  0.380865  1.76119  0.292653  
1 1 1 55 25 14 o 3.59286  0.129697  13.0998      0.931967 13.0473      1.36917  13.1451      1.27217  3.55451  0.192597  3.57613  0.177869  
1 1 1 55 25 15 o 0.677523 0.291659  0.0463642    0.715654 -0.94683     0.963865 1.26657      1.06836  0.618124 0.292224  1.0861   0.387929  
1 1 1 55 25 16 o 3.59977  0.120323  13.1606      0.86627  13.6619      1.19694  12.6092      1.25532  3.6436   0.164253  3.49064  0.179813  
1 1 1 55 25 17 o 1.14845  0.324875  1.53333      0.779623 -0.0864664   1.13314  2.9893       1.07431  0.793026 0.352906  1.59578  0.346331  
1 1 1 55 25 18 o 0.732014 0.309299  0.217039     0.779258 -0.700321    1.16101  0.969101     1.05122  0.711728 0.33219   0.98221  0.378167  
1 1 1 55 25 19 o 1.86203  0.216792  3.68999      0.807346 3.41902      1.1636   3.94153      1.1211   1.6866   0.356016  1.87361  0.299183  
1 1 1 55 25 20 o 0.724143 0.309071  0.211046     0.791606 0.519357     1.15756  -0.0598067   1.08496  0.884152 0.375441  0.764508 0.342622  
1 1 1 55 25 21 o 1.80674  0.22885   3.57047      0.826944 3.11198      1.18493  4.00581      1.15461  1.54469  0.38458   1.81728  0.329828  
1 1 1 55 25 22 o 0.64192  0.29242   -0.224539    0.832051 -0.154471    1.17045  -0.296125    1.18305  0.757696 0.345606  0.741643 0.341954  
1 1 1 55 25 23 o 0.563031 0.271693  -0.979198    0.917272 0.456059     1.32676  -2.29336     1.26956  0.860088 0.382334  0.571955 0.284399  
1 1 1 55 25 24 o 0.614322 0.29355   -0.703127    1.00719  -0.773488    1.52884  -0.649174    1.33876  0.737051 0.354459  0.708247 0.338433  
1 1 1 55 25 25 o 1.15657  0.36918   1.96672      0.961943 0.765046     1.39661  3.05137      1.32686  0.874377 0.390372  1.35858  0.433579  
1 1 1 55 25 26 o 0.590792 0.281872  -0.448596    0.91956  0.00885973   1.32419  -0.874664    1.27795  0.72796  0.343534  0.636895 0.310377  
1 1 1 55 25 27 o 0.908346 0.359541  1.37856      0.967269 1.90994      1.43297  0.933775     1.31101  0.958931 0.412753  0.816985 0.370798  
1 1 1 55 25 28 o 0.526648 0.260017  -1.09814     1.00076  -1.81395     1.4079   -0.36712     1.42278  0.56776  0.284771  0.660838 0.32311   
1 1 1 55 26 0  o 3.48809  0.139526  12.3004      0.96982  12.3004      0.96982  12.3004      0.96982  3.49765  0.0982076 ?        ?         
1 1 1 55 26 1  o 2.12472  0.143751  4.57438      0.610862 4.26288      0.828067 4.9463       0.904804 2.03762  0.203195  2.19404  0.206196  
1 1 1 55 26 2  o 3.66853  0.0872975 13.5245      0.640507 13.1359      0.89539  13.9317      0.916611 3.60629  0.124143  3.71415  0.123394  
1 1 1 55 26 3  o 0.794155 0.301442  0.509669     0.66051  1.71002      0.991176 -0.449185    0.885874 1.23905  0.371106  0.664582 0.302471  
1 1 1 55 26 4  o 2.41713  0.149546  5.92942      0.722943 5.38244      1.03579  6.449        1.00951  2.28113  0.227035  2.50581  0.201433  
1 1 1 55 26 5  o 3.36816  0.110142  11.4384      0.741955 12.0117      1.08545  10.9356      1.0165   3.43668  0.157922  3.28014  0.154948  
1 1 1 55 26 6  o 4.1179   0.0988324 17.0741      0.813964 19.0157      1.21448  15.4907      1.09674  4.33078  0.140215  3.90878  0.140292  
1 1 1 55 26 7  o 5.1175   0.0931411 26.3563      0.953299 23.775       1.32169  29.1553      1.37631  4.84298  0.136454  5.36727  0.128213  
1 1 1 55 26 8  o 2.96691  0.134311  8.92146      0.796978 7.41836      1.19665  10.1197      1.06841  2.67411  0.223748  3.14745  0.169727  
1 1 1 55 26 9  o 3.40396  0.116259  11.7054      0.791479 10.4259      1.1334   12.9232      1.10575  3.19105  0.177591  3.56255  0.155191  
1 1 1 55 26 10 o 1.81718  0.200355  3.40354      0.728163 4.02626      1.06765  2.86196      0.99567  1.95141  0.273559  1.60631  0.321277  
1 1 1 55 26 11 o 0.623409 0.278005  -0.205842    0.706497 -0.40061     0.997122 -0.00949101  1.00116  0.713084 0.323561  0.782048 0.340886  
1 1 1 55 26 12 o 0.670143 0.293204  -0.0586374   0.74645  1.53294      1.1167   -1.34419     1.00361  1.17222  0.39839   0.591832 0.285247  
1 1 1 55 26 13 o 1.4689   0.268784  2.35421      0.760249 3.12759      1.14291  1.74043      1.01818  1.6526   0.355967  1.22999  0.377701  
1 1 1 55 26 14 o 1.00966  0.315756  1.13037      0.707243 1.35223      0.970541 0.87916      1.03274  1.10106  0.371405  0.976089 0.375048  
1 1 1 55 26 15 o 2.33477  0.176553  5.63536      0.824424 4.78621      1.15974  6.50284      1.17218  2.10272  0.275771  2.47592  0.236716  
1 1 1 55 26 16 o 2.07927  0.197643  4.52363      0.821905 4.56774      1.21588  4.48652      1.11532  2.03231  0.299138  2.02939  0.27479   
1 1 1 55 26 17 o 2.34647  0.172374  5.71031      0.808942 4.98288      1.18109  6.35308      1.11023  2.13227  0.276955  2.44285  0.227241  
1 1 1 55 26 18 f 1.49108  0.279423  2.51344      0.802494 3.47314      1.17095  1.66345      1.10198  1.70248  0.355488  1.16621  0.395757  
1 1 1 55 26 19 o 0.769926 0.315619  0.416033     0.776381 -0.682367    1.13198  1.39169      1.06685  0.693324 0.324853  1.07587  0.387318  
1 1 1 55 26 20 o 1.60609  0.248274  2.85503      0.797502 2.93098      1.1507   2.78483      1.10629  1.5052   0.38156   1.47222  0.37468   
1 1 1 55 26 21 o 1.61525  0.266588  2.95953      0.861211 3.62575      1.19527  2.24026      1.24194  1.68607  0.364773  1.26657  0.420138  
1 1 1 55 26 22 o 2.55155  0.184452  6.97908      0.941275 7.43143      1.31099  6.49778      1.3523   2.55363  0.256691  2.3514   0.287553  
1 1 1 55 26 23 o 1.16392  0.362382  1.89376      0.932914 1.09582      1.40254  2.52695      1.24938  0.949606 0.408539  1.27579  0.421395  
1 1 1 55 26 24 o 0.642282 0.300738  -0.334443    0.964262 -1.51663     1.40005  0.732389     1.32999  0.644623 0.316633  0.868837 0.384924  
1 1 1 55 26 25 o 0.607922 0.286885  -0.382302    0.923442 -0.783123    1.3517   -0.0315073   1.26454  0.670135 0.324558  0.727512 0.341315  
1 1 1 55 26 26 o 0.694527 0.31177   0.362246     0.90163  -0.127653    1.30652  0.80769      1.24584  0.696446 0.333162  0.800116 0.362432  
1 1 1 55 26 27 o 0.613686 0.293826  -0.357657    1.02183  -0.0443673   1.47791  -0.644581    1.41435  0.717651 0.345952  0.660461 0.322745  
1 1 1 55 27 0  o 0.816898 0.416639  1.04685      0.848147 1.04685      0.848147 1.04685      0.848147 0.848126 0.354793  ?        ?         
1 1 1 55 27 1  o 0.582201 0.255256  -0.0904237   0.568156 -1.02222     0.788244 0.91714      0.819664 0.536376 0.257113  0.962434 0.340188  
1 1 1 55 27 2  o 2.91171  0.101164  8.53957      0.589121 9.25856      0.836648 7.8325       0.829682 3.02236  0.13841   2.77681  0.149395  
1 1 1 55 27 3  o 2.42333  0.146607  5.96349      0.710555 5.28162      1.04505  6.54975      0.96901  2.25507  0.23171   2.52606  0.191802  
1 1 1 55 27 4  o 3.13241  0.119785  9.91581      0.750427 8.78506      1.06006  11.0517      1.06248  2.92893  0.180963  3.29308  0.16132   
1 1 1 55 27 5  o 0.995307 0.301327  1.07446      0.651125 1.51646      0.961101 0.699482     0.88523  1.16831  0.368623  0.909716 0.3479    
1 1 1 55 27 6  o 1.75916  0.193511  3.18169      0.680834 3.20762      0.983202 3.15781      0.943701 1.73963  0.28259   1.72939  0.272843  
1 1 1 55 27 7  o 3.4813   0.111552  12.2336      0.77669  12.6036      1.14516  11.9184      1.05695  3.515    0.162896  3.42152  0.154456  
1 1 1 55 27 8  o 2.86943  0.134091  8.34669      0.769531 7.1383       1.09452  9.52793      1.08215  2.62855  0.208198  3.05026  0.177387  
1 1 1 55 27 9  o 1.28442  0.283987  1.8131       0.710064 1.90289      0.997308 1.72079      1.0112   1.29232  0.368044  1.23294  0.375961  
1 1 1 55 27 10 o 1.72717  0.209267  3.09178      0.722878 1.96489      1.03824  4.15204      1.00708  1.30592  0.376692  1.98533  0.25363   
1 1 1 55 27 11 o 1.20625  0.296542  1.62455      0.711325 1.81085      1.01682  1.446        0.995455 1.25369  0.375953  1.1382   0.376142  
1 1 1 55 27 12 o 0.884295 0.323955  0.744999     0.749188 -0.532495    1.09812  1.85741      1.02471  0.727684 0.333002  1.26689  0.376905  
1 1 1 55 27 13 o 1.15069  0.305571  1.49877      0.715224 1.78653      1.00019  1.19764      1.02316  1.23667  0.373274  1.05873  0.379487  
1 1 1 55 27 14 o 2.38336  0.174022  5.86971      0.829512 5.35073      1.20101  6.34311      1.14706  2.2255   0.26983   2.44544  0.23453   
1 1 1 55 27 15 o 2.26436  0.185552  5.33789      0.840311 6.32751      1.23457  4.48366      1.14701  2.42369  0.254689  2.02297  0.283496  
1 1 1 55 27 16 o 1.98135  0.203239  4.12841      0.805378 3.30061      1.17722  4.85675      1.10423  1.6604   0.364426  2.11547  0.26099   
1 1 1 55 27 17 o 0.866278 0.325425  0.742176     0.764036 0.474417     1.1113   0.982187     1.05215  0.878122 0.370116  0.979293 0.378065  
1 1 1 55 27 18 o 2.40574  0.172077  6.04609      0.827946 5.82842      1.19922  6.24434      1.14448  2.29958  0.260748  2.39837  0.238596  
1 1 1 55 27 19 o 0.889305 0.334362  0.849658     0.80692  0.986222     1.13726  0.711206     1.14509  0.966936 0.387416  0.90978  0.379141  
1 1 1 55 27 20 o 1.24593  0.331862  1.93827      0.842004 2.4817       1.16721  1.34862      1.21583  1.35223  0.402251  1.04315  0.405644  
1 1 1 55 27 21 o 0.933038 0.348689  1.03302      0.87494  1.51134      1.27211  0.60361      1.2053   1.06701  0.414926  0.87854  0.378353  
1 1 1 55 27 22 o 0.877053 0.342907  0.912313     0.871256 1.56584      1.25322  0.300978     1.21209  1.04429  0.410544  0.806454 0.361761  
1 1 1 55 27 23 o 1.06555  0.358177  1.61437      0.902639 2.23917      1.31681  1.06058      1.23972  1.16587  0.429255  0.918611 0.389229  
1 1 1 55 27 24 o 0.546654 0.266471  -1.0746      0.944289 -2.50416     1.3618   0.249337     1.31053  0.565894 0.282947  0.785785 0.361341  
1 1 1 55 27 25 o 0.691615 0.31041   0.317196     0.893443 0.483357     1.2816   0.160093     1.24618  0.769825 0.355314  0.725945 0.340264  
1 1 1 55 27 26 o 0.939781 0.363644  1.49063      0.974574 3.70448      1.4568   -0.302772    1.31118  1.33104  0.455031  0.680935 0.327663  
1 1 1 55 27 27 o 0.656549 0.309435  0.212328     1.06769  0.0534546    1.5983   0.340355     1.43478  0.690222 0.338799  0.699705 0.338096  
1 1 1 55 28 0  o 2.23329  0.206533  5.19109      0.90436  5.19109      0.90436  5.19109      0.90436  2.25648  0.143016  ?        ?         
1 1 1 55 28 1  o 5.84147  0.0800672 34.287       0.93542  34.9083      1.38364  33.7639      1.26949  5.87788  0.117698  5.78463  0.109729  
1 1 1 55 28 2  o 2.55513  0.107999  6.58595      0.551901 7.2798       0.769441 5.8507       0.792062 2.67742  0.14369   2.39434  0.165403  
1 1 1 55 28 3  o 1.74127  0.197727  3.12143      0.688592 3.65736      0.988131 2.61546      0.960106 1.86367  0.265104  1.53327  0.323198  
1 1 1 55 28 4  o 2.43038  0.145865  6.00194      0.709015 6.12423      1.02041  5.88778      0.985881 2.43451  0.209571  2.38821  0.206406  
1 1 1 55 28 5  o 1.63486  0.209365  2.76195      0.684564 2.87146      0.988275 2.66094      0.94915  1.6108   0.318088  1.54928  0.317256  
1 1 1 55 28 6  o 3.13093  0.11868   9.90855      0.743158 10.0023      1.08049  9.82437      1.02377  3.12704  0.172765  3.10214  0.165011  
1 1 1 55 28 7  f 1.29787  0.281293  1.84906      0.709599 2.84784      1.02341  0.924306     0.984754 1.59611  0.331635  0.99205  0.370087  
1 1 1 55 28 8  o 4.33957  0.104484  19.0014      0.906829 17.2373      1.27605  20.8014      1.28895  4.11121  0.155191  4.5232   0.142482  
1 1 1 55 28 9  o 2.992    0.127338  9.07899      0.761991 8.84733      1.07745  9.3108       1.07779  2.93163  0.183763  3.00961  0.179058  
1 1 1 55 28 10 o 1.42864  0.26195   2.22093      0.720548 1.43078      1.04484  2.93749      0.994999 1.13626  0.38536   1.62103  0.318246  
1 1 1 55 28 11 o 3.50348  0.118963  12.4369      0.833572 11.2373      1.1808   13.6286      1.1769   3.30325  0.178734  3.64758  0.161327  
1 1 1 55 28 12 o 0.972777 0.332328  1.01993      0.777053 0.708667     1.17709  1.26034      1.0345   0.962226 0.390562  1.07475  0.381947  
1 1 1 55 28 13 o 0.709382 0.302715  0.132746     0.75913  0.669837     1.16455  -0.264118    1.00105  0.944193 0.386718  0.72278  0.326271  
1 1 1 55 28 14 f 1.64151  0.24095   2.88353      0.791041 2.33402      1.16308  3.3565       1.07905  1.37534  0.399339  1.70539  0.32807   
1 1 1 55 28 15 o 0.769145 0.314825  0.37852      0.771322 0.308484     1.13907  0.437827     1.04821  0.858707 0.36876   0.86057  0.360931  
1 1 1 55 28 16 o 1.29932  0.29711   1.94818      0.755631 1.4412       1.11466  2.37927      1.02786  1.10498  0.396089  1.39636  0.364266  
1 1 1 55 28 17 o 2.05302  0.195074  4.45608      0.800981 5.01829      1.1807   3.97674      1.09022  2.12047  0.278404  1.8793   0.290061  
1 1 1 55 28 18 f 1.14882  0.335636  1.62307      0.819134 0.790894     1.13598  2.52446      1.18227  0.925946 0.381045  1.3795   0.403289  
1 1 1 55 28 19 o 1.08352  0.338061  1.46883      0.811321 1.83114      1.14387  1.10204      1.15093  1.16756  0.402911  0.983943 0.39133   
1 1 1 55 28 20 o 0.72932  0.316532  0.210908     0.856094 0.716182     1.23819  -0.251855    1.18496  0.908191 0.38705   0.745561 0.343159  
1 1 1 55 28 21 o 0.62254  0.288232  -0.313879    0.851915 -0.928416    1.21597  0.278565     1.19391  0.661287 0.317557  0.804002 0.359889  
1 1 1 55 28 22 o 1.68993  0.256071  3.36195      0.865483 4.11755      1.20485  2.5564       1.24404  1.74089  0.358317  1.26746  0.420494  
1 1 1 55 28 23 o 1.06758  0.36056   1.65641      0.914688 0.579667     1.27961  2.78144      1.30799  0.833386 0.372824  1.28989  0.431165  
1 1 1 55 28 24 o 1.17831  0.362881  2.18847      0.93892  2.35134      1.39992  2.0553       1.26585  1.08326  0.431351  1.04757  0.412362  
1 1 1 55 28 25 o 0.681026 0.309463  0.281093     0.919248 -0.0322535   1.31763  0.578222     1.28308  0.703571 0.336091  0.767627 0.354764  
1 1 1 55 28 26 o 1.35114  0.379601  3.13235      1.06797  5.01504      1.63458  1.73006      1.4107   1.46835  0.481997  0.901266 0.398224  
1 1 1 55 29 0  o 0.889081 0.434547  1.24658      0.905298 1.24658      0.905298 1.24658      0.905298 0.941691 0.361288  ?        ?         
1 1 1 55 29 1  o 5.67781  0.079735  32.3946      0.905441 32.6884      1.31093  32.1266      1.25207  5.68848  0.115226  5.64145  0.110971  
1 1 1 55 29 2  o 1.08369  0.251296  1.27653      0.534521 0.499121     0.644194 2.99473      0.957695 0.781572 0.297395  1.6528   0.300846  
1 1 1 55 29 3  o 3.52005  0.111841  12.51        0.787369 13.9349      1.14414  11.2281      1.08521  3.69901  0.154654  3.31681  0.163593  
1 1 1 55 29 4  o 1.85697  0.195706  3.55159      0.726839 2.82012      1.05039  4.22363      1.00681  1.58283  0.34153   2.00633  0.250909  
1 1 1 55 29 5  o 1.54517  0.231277  2.49097      0.714723 3.62281      1.05318  1.52469      0.973107 1.84347  0.28565   1.16667  0.371206  
1 1 1 55 29 6  o 3.95492  0.11062   15.8034      0.874985 14.1292      1.26012  17.3622      1.21589  3.71403  0.169644  4.12918  0.147232  
1 1 1 55 29 7  f 0.754982 0.305856  0.337731     0.719971 0.740856     1.03055  -0.0466149   1.00627  0.947713 0.372382  0.773546 0.339422  
1 1 1 55 29 8  o 2.40334  0.154586  5.89765      0.743045 5.95651      1.06201  5.84121      1.03998  2.38909  0.222263  2.367    0.219684  
1 1 1 55 29 9  o 1.03469  0.311697  1.18881      0.697872 0.654835     0.987178 1.72227      0.986702 0.914136 0.362783  1.22238  0.371108  
1 1 1 55 29 10 o 2.00538  0.196049  4.17539      0.786306 3.93728      1.20208  4.35346      1.03955  1.86321  0.334752  2.02141  0.257134  
1 1 1 55 29 11 o 0.561882 0.26257   -0.572834    0.728155 0.0310717    1.07801  -1.07956     0.987472 0.801607 0.351526  0.608711 0.290819  
1 1 1 55 29 12 f 1.32992  0.297376  2.01137      0.770958 1.60392      1.1696   2.32443      1.02521  1.16791  0.406994  1.39561  0.363669  
1 1 1 55 29 13 o 2.02805  0.199483  4.31314      0.809124 4.31407      1.19456  4.31235      1.09985  1.96968  0.303237  1.98597  0.276905  
1 1 1 55 29 14 o 1.91237  0.200869  3.84392      0.768269 4.05771      1.17241  3.68303      1.01707  1.90296  0.308048  1.83155  0.277653  
1 1 1 55 29 15 o 1.97867  0.192882  4.11313      0.763301 3.05148      1.12563  5.0169       1.03856  1.58678  0.36248   2.15614  0.240839  
1 1 1 55 29 16 o 0.820592 0.324468  0.594498     0.787001 0.966005     1.09326  0.194915     1.13382  0.970687 0.382865  0.823281 0.360775  
1 1 1 55 29 17 o 2.23536  0.193752  5.31031      0.866211 4.58317      1.18835  6.13465      1.26528  1.99716  0.29751   2.33681  0.270729  
1 1 1 55 29 18 o 1.17694  0.342283  1.74754      0.853797 1.19873      1.23499  2.24999      1.18168  1.01281  0.404564  1.28213  0.409171  
1 1 1 55 29 19 o 0.998372 0.345847  1.2374       0.843492 -0.383142    1.18428  2.90587      1.20166  0.729112 0.338441  1.46118  0.399756  
1 1 1 55 29 20 o 0.957088 0.344216  1.16684      0.842434 -0.270441    1.17566  2.68366      1.20775  0.726049 0.337091  1.35637  0.410337  
1 1 1 55 29 21 o 0.869222 0.334288  0.933913     0.820944 0.442565     1.14633  1.45122      1.17623  0.806775 0.357402  1.00478  0.396868  
1 1 1 55 29 22 o 0.624474 0.291165  -0.292855    0.889066 0.162992     1.27565  -0.723422    1.23978  0.778576 0.357385  0.670784 0.321762  
1 1 1 55 29 23 o 0.675152 0.306339  0.161919     0.893722 1.22172      1.28159  -0.841357    1.24695  0.897446 0.38836   0.638483 0.309978  
1 1 1 55 29 24 o 0.50495  0.248703  -1.13053     0.889147 -1.00029     1.28202  -1.25124     1.23423  0.616298 0.302807  0.587626 0.289795  
1 1 1 55 29 25 o 1.16267  0.372817  2.3029       0.980174 2.14417      1.4238   2.4459       1.35138  0.992028 0.41857   1.06544  0.423947  
1 1 1 55 29 26 o 0.936653 0.378535  1.95442      1.09905  1.18547      1.48644  2.88174      1.63236  0.769671 0.36344   0.948849 0.422871  
1 1 1 55 30 0  o 1.69868  0.293255  3.21788      0.907199 3.21788      0.907199 3.21788      0.907199 1.7521   0.188011  ?        ?         
1 1 1 55 30 1  o 1.86863  0.15916   3.56668      0.594819 3.82756      0.800925 3.24583      0.888238 1.92148  0.208414  1.75477  0.253093  
1 1 1 55 30 2  o 5.0453   0.0964498 25.6581      0.973236 25.9641      1.45403  25.4098      1.30995  5.05097  0.143936  5.00431  0.130882  
1 1 1 55 30 3  f 5.23785  0.0988912 27.6693      1.03595  26.4214      1.47548  28.8827      1.45486  5.09391  0.144827  5.33127  0.136446  
1 1 1 55 30 4  o 2.22317  0.170372  5.06816      0.75753  5.64373      1.08015  4.51106      1.06268  2.32137  0.232655  2.06501  0.257306  
1 1 1 55 30 5  o 1.90953  0.190876  3.76318      0.728967 3.39911      1.03437  4.12242      1.02749  1.77871  0.290765  1.97236  0.260473  
1 1 1 55 30 6  o 3.6474   0.111258  13.4491      0.811602 13.5441      1.15724  13.3571      1.13855  3.63968  0.158975  3.61522  0.157466  
1 1 1 55 30 7  o 2.24302  0.166823  5.16076      0.748377 5.50006      1.07826  4.84539      1.03953  2.28713  0.235723  2.14366  0.242467  
1 1 1 55 30 8  o 2.41228  0.16066   5.96796      0.775116 5.62498      1.1455   6.25764      1.05273  2.30253  0.248749  2.44633  0.215164  
1 1 1 55 30 9  o 0.488822 0.238113  -1.21701     0.749166 -0.124099    1.15337  -2.01466     0.985329 0.800125 0.356053  0.519796 0.256963  
1 1 1 55 30 10 o 1.95675  0.191934  3.9881       0.751132 3.47362      1.1533   4.36709      0.989858 1.72912  0.345712  2.02216  0.244753  
1 1 1 55 30 11 o 1.06933  0.319911  1.31547      0.736852 0.605689     1.10236  1.88873      0.990691 0.913283 0.375521  1.25503  0.369899  
1 1 1 55 30 12 o 2.65735  0.147337  7.25114      0.783049 7.13125      1.18766  7.34334      1.04148  2.58755  0.229496  2.6473   0.196706  
1 1 1 55 30 13 o 2.91026  0.135885  8.67139      0.790921 9.295        1.28985  8.29562      1.00125  2.95912  0.217945  2.82331  0.177318  
1 1 1 55 30 14 o 1.29338  0.288777  1.92387      0.727902 2.381        1.12713  1.59682      0.953367 1.37573  0.391096  1.14679  0.36768   
1 1 1 55 30 15 o 0.782546 0.320419  0.441265     0.799247 -0.22311     1.10214  1.17817      1.16074  0.746011 0.338956  1.02686  0.396959  
1 1 1 55 30 16 f 0.983139 0.343993  1.14496      0.836237 0.666096     1.22385  1.56432      1.14529  0.915207 0.387205  1.10917  0.401105  
1 1 1 55 30 17 o 0.991707 0.344203  1.19974      0.835832 0.484143     1.1765   1.92898      1.18767  0.863577 0.372878  1.1912   0.410603  
1 1 1 55 30 18 o 1.15366  0.33573   1.68224      0.82116  1.81945      1.16603  1.54723      1.15662  1.15377  0.405957  1.08368  0.401716  
1 1 1 55 30 19 o 0.886723 0.337504  0.927892     0.829876 2.24535      1.1548   -0.47909     1.19339  1.24513  0.405131  0.705967 0.331273  
1 1 1 55 30 20 o 0.787463 0.323417  0.618023     0.81675  0.775758     1.13567  0.449033     1.17548  0.865941 0.369912  0.815004 0.361372  
1 1 1 55 30 21 o 0.956374 0.341024  1.24706      0.825318 0.881038     1.14945  1.63657      1.18575  0.875735 0.373061  1.03524  0.401001  
1 1 1 55 30 22 o 0.839546 0.342974  0.914609     0.913642 -0.373395    1.2817   2.24521      1.30272  0.698419 0.333116  1.12004  0.423868  
1 1 1 55 30 23 o 0.871903 0.347526  1.17366      0.909496 2.46739      1.26932  -0.191346    1.30382  1.11961  0.419675  0.694406 0.332337  
1 1 1 55 30 24 o 0.844207 0.346176  1.07954      0.934282 2.45537      1.35128  -0.180507    1.29318  1.08523  0.426411  0.690693 0.33066   
1 1 1 55 30 25 o 0.85882  0.369116  1.55235      1.14293  1.78822      1.55035  1.27157      1.69155  0.844347 0.390124  0.787121 0.377149  
1 1 1 55 31 0  o 3.07944  0.150089  9.64374      0.919371 9.64374      0.919371 9.64374      0.919371 3.09251  0.105385  ?        ?         
1 1 1 55 31 1  o 1.88389  0.155934  3.62534      0.587524 3.94941      0.821695 3.28635      0.84039  1.94928  0.210769  1.76911  0.237518  
1 1 1 55 31 2  o 3.14607  0.123888  10.0328      0.779522 10.3598      1.13095  9.73683      1.07593  3.17405  0.178156  3.07876  0.174734  
1 1 1 55 31 3  o 0.552967 0.257953  -0.560846    0.698909 -1.13981     1.00535  -0.0193258   0.972295 0.613769 0.293285  0.764796 0.334625  
1 1 1 55 31 4  o 2.53586  0.150378  6.56683      0.762675 6.41362      1.08186  6.71821      1.07534  2.47784  0.218307  2.53921  0.211746  
1 1 1 55 31 5  o 2.84578  0.133936  8.24022      0.762302 7.58931      1.09232  8.85823      1.06434  2.70174  0.202151  2.92967  0.181649  
1 1 1 55 31 6  o 1.14024  0.315233  1.48048      0.742463 0.37514      1.11326  2.36599      0.996429 0.879215 0.370503  1.42537  0.351322  
1 1 1 55 31 7  o 4.18704  0.117035  17.7884      0.980061 20.3554      1.52429  15.9794      1.27962  4.44231  0.171566  3.94227  0.162295  
1 1 1 55 31 8  o 1.61823  0.238507  2.78673      0.77192  2.3862       1.20597  3.06472      1.0047   1.3933   0.407308  1.63915  0.317814  
1 1 1 55 31 9  o 3.93968  0.113522  15.7567      0.894481 14.4566      1.3381   16.807       1.20268  3.73226  0.179262  4.0474   0.148574  
1 1 1 55 31 10 o 1.39833  0.270796  2.18532      0.730291 2.05231      1.16772  2.27076      0.935907 1.28846  0.406286  1.38766  0.339538  
1 1 1 55 31 11 f 1.63556  0.25574   2.89478      0.836557 2.68088      1.13389  3.15028      1.23926  1.48058  0.380823  1.60096  0.390077  
1 1 1 55 31 12 o 0.907849 0.337897  0.843699     0.819959 -0.201127    1.13302  1.99266      1.18814  0.767846 0.346836  1.25955  0.410937  
1 1 1 55 31 13 o 0.639337 0.290538  -0.27229     0.81054  0.670859     1.1842   -1.10361     1.11178  0.927795 0.386035  0.642274 0.307267  
1 1 1 55 31 14 o 2.25293  0.188362  5.35599      0.848732 6.20353      1.23311  4.59305      1.16996  2.36868  0.260294  2.01478  0.290343  
1 1 1 55 31 15 o 1.12028  0.342564  1.55781      0.838744 0.836033     1.21711  2.21057      1.15746  0.945029 0.392168  1.28604  0.404295  
1 1 1 55 31 16 o 0.7056   0.306721  0.152332     0.806244 -0.841143    1.14255  1.13769      1.13787  0.666222 0.316469  0.990681 0.390646  
1 1 1 55 31 17 o 2.05597  0.200841  4.55813      0.825847 4.93558      1.15576  4.16436      1.18048  2.07041  0.279114  1.83862  0.333285  
1 1 1 55 31 18 o 0.702892 0.305584  0.211087     0.800472 0.0716186    1.08709  0.376267     1.18306  0.753614 0.340107  0.822919 0.364006  
1 1 1 55 31 19 o 0.953908 0.343726  1.20398      0.840394 0.484013     1.15157  2.02431      1.22922  0.818388 0.360933  1.14406  0.415363  
1 1 1 55 31 20 o 0.514738 0.249335  -0.918147    0.798786 -0.359626    1.11854  -1.49942     1.1411   0.681643 0.320014  0.577193 0.284265  
1 1 1 55 31 21 o 0.719386 0.3147    0.362967     0.859632 0.410311     1.24499  0.31983      1.18839  0.793138 0.360337  0.772082 0.351112  
1 1 1 55 31 22 o 1.47196  0.3258    3.07421      0.93364  2.45375      1.3079   3.71891      1.3332   1.11405  0.423797  1.4293   0.430865  
1 1 1 55 31 23 o 1.30111  0.348366  2.60518      0.924825 2.1111       1.29001  3.12766      1.32656  1.02163  0.411247  1.24512  0.433488  
1 1 1 55 31 24 o 0.731844 0.331242  0.639183     1.0386   0.762727     1.4956   0.524113     1.44339  0.769639 0.363928  0.743595 0.354388  
1 1 1 55 32 0  o 2.65975  0.17349   7.27121      0.913875 7.27121      0.913875 7.27121      0.913875 2.67844  0.121196  ?        ?         
1 1 1 55 32 1  o 3.1027   0.114301  9.7561       0.709283 9.42043      0.898629 10.3108      1.15516  3.03545  0.148022  3.15747  0.182925  
1 1 1 55 32 2  o 3.0611   0.125129  9.52277      0.766062 9.01525      1.11452  9.97728      1.05471  2.94856  0.188993  3.11282  0.169413  
1 1 1 55 32 3  o 2.90242  0.133335  8.58234      0.773985 8.38887      1.1111   8.76472      1.07878  2.83962  0.195643  2.90825  0.185468  
1 1 1 55 32 4  f 1.06265  0.327056  1.28435      0.762845 2.20856      1.137    0.527733     1.02876  1.35209  0.395563  0.884998 0.36314   
1 1 1 55 32 5  o 1.01364  0.324439  1.15614      0.742544 0.703375     1.10393  1.53025      1.00348  0.938788 0.379384  1.14535  0.377655  
1 1 1 55 32 6  o 0.850707 0.321276  0.676007     0.747134 -0.229224    1.16017  1.31743      0.976596 0.780693 0.351893  1.07729  0.372237  
1 1 1 55 32 7  o 1.03975  0.328419  1.23749      0.762732 1.13735      1.17794  1.30978      1.00089  1.0465   0.400996  1.07387  0.37628   
1 1 1 55 32 8  o 3.05933  0.137315  9.57581      0.84018  9.97332      1.28556  9.27942      1.11006  3.07711  0.208891  2.98381  0.186013  
1 1 1 55 32 9  o 5.68022  0.108371  32.7387      1.23114  33.6068      1.86489  32.0681      1.63908  5.70244  0.163517  5.5881   0.146658  
1 1 1 55 32 10 o 2.73007  0.168817  7.72928      0.921766 7.88007      1.31641  7.58424      1.2911   2.70462  0.243364  2.65342  0.243291  
1 1 1 55 32 11 o 1.12228  0.347316  1.50667      0.85869  1.74602      1.1979   1.25369      1.23154  1.18587  0.412019  1.06364  0.40936   
1 1 1 55 32 12 o 0.711571 0.310159  0.0836254    0.828773 0.194632     1.20771  -0.0151773   1.13939  0.843468 0.370964  0.790977 0.352881  
1 1 1 55 32 13 o 0.713498 0.309634  0.127529     0.819029 0.553879     1.26582  -0.179502    1.07419  0.908642 0.38942   0.740104 0.335827  
1 1 1 55 32 14 o 3.06143  0.157102  9.78069      0.961913 10.0744      1.3439   9.47214      1.37742  3.04534  0.220649  2.93792  0.23442   
1 1 1 55 32 15 o 1.12864  0.332811  1.59215      0.801798 1.50594      1.12909  1.67985      1.13881  1.08006  0.397499  1.12558  0.400667  
1 1 1 55 32 16 o 2.11795  0.19605   4.82199      0.830446 5.04754      1.15291  4.57878      1.1972   2.09715  0.274875  1.96937  0.303956  
1 1 1 55 32 17 o 0.608281 0.280801  -0.303064    0.800877 -0.0424133   1.10358  -0.593067    1.16406  0.740382 0.337138  0.685114 0.322956  
1 1 1 55 32 18 o 0.719158 0.310938  0.313443     0.820189 0.333093     1.14283  0.292572     1.17781  0.792198 0.35342   0.792188 0.355954  
1 1 1 55 32 19 o 0.623192 0.285177  -0.141703    0.805294 0.172856     1.12837  -0.468233    1.14964  0.755534 0.343198  0.67743  0.319807  
1 1 1 55 32 20 o 1.15374  0.342979  1.88311      0.848764 2.08848      1.1821   1.66456      1.21944  1.13014  0.407617  1.0223   0.403997  
1 1 1 55 32 21 o 0.626983 0.290289  -0.0584476   0.864108 -0.219262    1.22384  0.101423     1.22024  0.684502 0.326248  0.719374 0.337098  
1 1 1 55 32 22 o 0.753836 0.324011  0.701826     0.880747 -0.600418    1.22858  2.07863      1.26327  0.635624 0.308307  1.01606  0.407808  
1 1 1 55 32 23 o 0.642766 0.301297  -0.000509494 0.977716 0.574034     1.28026  -0.804473    1.51445  0.75446  0.350854  0.659287 0.324721  
1 1 1 55 33 0  o 5.74768  0.119223  33.3491      1.36918  33.3491      1.36918  33.3491      1.36918  5.76128  0.0840633 ?        ?         
1 1 1 55 33 1  o 1.37162  0.22097   1.98771      0.606176 2.26953      0.791866 1.58881      0.942098 1.41905  0.289039  1.16112  0.364693  
1 1 1 55 33 2  o 1.16043  0.301089  1.54216      0.704654 0.897722     1.08993  2.00496      0.923649 0.977597 0.383263  1.30261  0.347861  
1 1 1 55 33 3  o 1.90109  0.200775  3.7863       0.763382 3.03689      1.15831  4.36175      1.015    1.59331  0.370224  2.0144   0.251937  
1 1 1 55 33 4  o 3.49326  0.123403  12.4265      0.862159 12.7259      1.3466   12.2186      1.12236  3.49035  0.192904  3.44109  0.163081  
1 1 1 55 33 5  o 2.71905  0.148224  7.59185      0.806058 8.1267       1.2993   7.25721      1.02774  2.7591   0.235457  2.63355  0.195124  
1 1 1 55 33 6  o 0.756434 0.312561  0.329866     0.767963 -0.112225    1.21603  0.623162     0.990472 0.810893 0.363085  0.88818  0.359184  
1 1 1 55 33 7  o 1.08768  0.319326  1.37327      0.739706 1.95964      1.18734  1.00132      0.945644 1.25696  0.410798  0.975714 0.362927  
1 1 1 55 33 8  o 1.9014   0.220711  3.84466      0.839318 3.55634      1.23972  4.08864      1.14044  1.71391  0.372099  1.91404  0.297914  
1 1 1 55 33 9  o 0.734527 0.31625   0.150587     0.841678 -1.09418     1.18363  1.42388      1.19711  0.670049 0.319712  1.10381  0.408786  
1 1 1 55 33 10 o 2.36934  0.189801  5.9074       0.899409 5.15247      1.30418  6.59207      1.24201  2.12997  0.30615   2.45635  0.252816  
1 1 1 55 33 11 o 1.0616   0.342795  1.35695      0.827615 1.09639      1.19963  1.5936       1.14326  1.01065  0.400287  1.12933  0.401504  
1 1 1 55 33 12 o 0.617545 0.282108  -0.301666    0.784271 -0.822611    1.08914  0.259356     1.13026  0.656981 0.310613  0.823859 0.360623  
1 1 1 55 33 13 o 1.32362  0.312002  2.12392      0.813418 3.30925      1.18132  1.05525      1.12169  1.60311  0.374786  0.972489 0.386468  
1 1 1 55 33 14 o 1.01576  0.339436  1.27866      0.81065  1.60004      1.12986  0.937719     1.16376  1.10323  0.39845   0.947154 0.387034  
1 1 1 55 33 15 o 3.32937  0.140994  11.5224      0.938842 12.6023      1.35039  10.5122      1.30616  3.41965  0.197446  3.10846  0.210097  
1 1 1 55 33 16 o 0.736177 0.309946  0.393541     0.777925 -0.133013    1.08198  0.957016     1.11927  0.7205   0.330062  0.918485 0.378148  
1 1 1 55 33 17 o 1.40447  0.299277  2.47702      0.815701 1.62587      1.13347  3.39136      1.17479  1.05363  0.396258  1.55299  0.38067   
1 1 1 55 33 18 o 0.692975 0.303972  0.235475     0.806532 1.02446      1.1364   -0.565318    1.14487  0.904423 0.377354  0.665341 0.316401  
1 1 1 55 33 19 o 0.571886 0.270597  -0.506958    0.828073 -0.810573    1.16042  -0.191937    1.18202  0.637517 0.307132  0.709417 0.332315  
1 1 1 55 33 20 o 0.649064 0.295322  0.105978     0.843129 -0.9985      1.21838  1.12092      1.16795  0.612634 0.299415  0.866795 0.372859  
1 1 1 55 33 21 o 0.794123 0.334703  0.88994      0.908776 1.56402      1.22964  0.0785886    1.34905  0.916279 0.387912  0.71708  0.341955  
1 1 1 55 33 22 o 0.738844 0.331015  0.583675     1.01199  1.28069      1.38617  -0.211822    1.48086  0.856562 0.385446  0.703285 0.340455  
1 1 1 55 33 23 o 0.606485 0.290385  -0.0903822   0.998179 2.33882      1.55008  -1.81135     1.3047   0.894593 0.404799  0.533453 0.268665  
1 1 1 55 34 0  o 4.1041   0.136704  17.0939      1.11927  17.0939      1.11927  17.0939      1.11927  4.11935  0.0961825 ?        ?         
1 1 1 55 34 1  o 1.22573  0.254006  1.67157      0.601733 1.04645      0.769742 2.65389      0.964912 0.970454 0.330761  1.50805  0.329029  
1 1 1 55 34 2  o 2.09483  0.171096  4.54846      0.716834 4.74036      1.15251  4.42739      0.915454 2.0799   0.27706   2.04106  0.224259  
1 1 1 55 34 3  o 1.21947  0.303327  1.71711      0.737648 1.34395      1.16401  1.96753      0.953563 1.09072  0.403264  1.27923  0.358466  
1 1 1 55 34 4  o 1.57721  0.243298  2.67471      0.767468 3.89507      1.20812  1.84902      0.993745 1.82204  0.344088  1.2346   0.371954  
1 1 1 55 34 5  o 0.937021 0.32625   0.962055     0.751417 1.41992      1.16827  0.638995     0.981337 1.10655  0.40462   0.886175 0.357873  
1 1 1 55 34 6  o 0.67422  0.291567  0.0699909    0.721455 0.238243     1.10122  -0.0565293   0.954932 0.831225 0.359853  0.733722 0.325474  
1 1 1 55 34 7  o 0.688295 0.296847  0.101617     0.743971 0.0371121    1.11595  0.153221     0.998142 0.797853 0.353146  0.783612 0.340965  
1 1 1 55 34 8  o 3.45952  0.135123  12.2873      0.934922 13.7738      1.33827  10.8702      1.30665  3.62246  0.184719  3.20142  0.204074  
1 1 1 55 34 9  o 1.32341  0.317079  2.08716      0.829509 3.87711      1.19877  0.44272      1.14901  1.79312  0.346643  0.869007 0.371678  
1 1 1 55 34 10 o 1.729    0.235781  3.25963      0.815331 2.8907       1.18464  3.59167      1.12386  1.49425  0.391647  1.72353  0.338088  
1 1 1 55 34 11 f 1.69797  0.237998  3.17081      0.808228 2.88382      1.13508  3.46597      1.1511   1.49234  0.379359  1.66469  0.356102  
1 1 1 55 34 12 o 1.87646  0.220271  3.83764      0.82666  4.23973      1.16311  3.42721      1.17513  1.90136  0.305863  1.63761  0.367814  
1 1 1 55 34 13 o 2.37987  0.182765  6.02671      0.869913 5.42206      1.24729  6.5994       1.21387  2.16286  0.288343  2.42789  0.249985  
1 1 1 55 34 14 o 1.01926  0.344228  1.32169      0.833702 1.12225      1.17265  1.52553      1.18552  0.973419 0.39199   1.06665  0.404149  
1 1 1 55 34 15 o 1.04177  0.332566  1.41786      0.780585 2.47007      1.10099  0.35439      1.10686  1.31844  0.390363  0.799493 0.353065  
1 1 1 55 34 16 o 0.828919 0.326555  0.791738     0.794443 0.93117      1.08741  0.632122     1.16346  0.890994 0.370273  0.842574 0.367371  
1 1 1 55 34 17 o 1.04903  0.339361  1.51822      0.810844 -0.172551    1.12216  3.36547      1.17294  0.706338 0.328475  1.52656  0.384188  
1 1 1 55 34 18 o 1.53617  0.294161  2.99957      0.87153  3.65703      1.23681  2.35113      1.22829  1.56165  0.395407  1.19008  0.416856  
1 1 1 55 34 19 o 0.588047 0.276053  -0.271391    0.831811 0.171714     1.16468  -0.732719    1.18839  0.722353 0.335429  0.628991 0.304577  
1 1 1 55 34 20 o 0.564207 0.271941  -0.579962    0.912358 0.262068     1.2172   -1.65963     1.3783   0.722095 0.338069  0.589905 0.293739  
1 1 1 55 34 21 o 0.654789 0.30427   0.0618715    0.960526 0.190124     1.36629  -0.0634553   1.35062  0.730452 0.346549  0.703921 0.337217  
1 1 1 55 34 22 o 0.870764 0.35063   1.4907       0.938168 1.00619      1.357    1.93432      1.29847  0.752084 0.352974  0.881342 0.386151  
1 1 1 55 35 0  o 0.520604 0.340298  0.0689287    0.84196  0.0689287    0.84196  0.0689287    0.84196  0.448275 0.290313  ?        ?         
1 1 1 55 35 1  o 1.35037  0.222639  1.94484      0.60129  2.57859      0.773273 0.975605     0.956293 1.54174  0.250779  0.964592 0.363713  
1 1 1 55 35 2  o 3.00199  0.137115  9.24134      0.823237 10.5545      1.30146  8.3655       1.0629   3.15891  0.205999  2.82515  0.188113  
1 1 1 55 35 3  o 0.782671 0.31261   0.483569     0.737322 0.659899     1.16453  0.365583     0.952578 0.925076 0.383728  0.813546 0.342772  
1 1 1 55 35 4  o 1.97526  0.194198  4.10918      0.767183 2.86466      1.1641   5.06474      1.02004  1.51546  0.383546  2.16743  0.235311  
1 1 1 55 35 5  o 1.12872  0.322182  1.51646      0.763411 0.100894     1.12505  2.72446      1.0393   0.807885 0.356467  1.49721  0.352511  
1 1 1 55 35 6  o 1.72296  0.236641  3.21949      0.815447 3.23856      1.15548  3.20056      1.15097  1.62195  0.365026  1.6118   0.365403  
1 1 1 55 35 7  o 1.0355   0.339131  1.28244      0.809194 0.851916     1.15532  1.69701      1.13373  0.949585 0.386429  1.15585  0.400904  
1 1 1 55 35 8  o 1.11564  0.332246  1.51741      0.795993 1.42111      1.16751  1.60105      1.08809  1.07656  0.402698  1.12291  0.392438  
1 1 1 55 35 9  o 0.728295 0.309123  0.270543     0.784155 1.42075      1.12025  -0.834452    1.09801  1.06639  0.395341  0.655871 0.31093   
1 1 1 55 35 10 o 0.767985 0.317724  0.43591      0.79507  1.02055      1.16484  -0.0740349   1.08789  0.968158 0.390347  0.750217 0.339314  
1 1 1 55 35 11 o 0.894209 0.332965  0.902051     0.796374 -0.125924    1.11098  1.98854      1.14216  0.746897 0.339612  1.20891  0.402907  
1 1 1 55 35 12 o 1.35166  0.310402  2.23016      0.821896 3.0454       1.16268  1.4159       1.16199  1.51461  0.383302  1.0494   0.399384  
1 1 1 55 35 13 o 0.888085 0.335302  0.923614     0.813614 1.73571      1.18423  0.197581     1.11972  1.10916  0.407199  0.78411  0.34982   
1 1 1 55 35 14 o 0.952132 0.339625  1.17384      0.818621 2.69232      1.16419  -0.311266    1.15133  1.35891  0.401133  0.708761 0.330803  
1 1 1 55 35 15 f 0.548482 0.259998  -0.560604    0.767606 -1.32561     1.08519  0.20543      1.08592  0.576961 0.282119  0.755858 0.340587  
1 1 1 55 35 16 o 0.710997 0.306964  0.337338     0.797158 1.23733      1.10234  -0.649237    1.15415  0.947101 0.380609  0.658157 0.314434  
1 1 1 55 35 17 o 0.65177  0.294446  0.0495239    0.816858 0.0782424    1.12787  0.0178417    1.18464  0.730349 0.335583  0.733481 0.339709  
1 1 1 55 35 18 o 0.665578 0.301258  0.182852     0.859142 0.409732     1.15158  -0.101948    1.29023  0.752038 0.342967  0.71013  0.33684   
1 1 1 55 35 19 o 0.613885 0.288211  -0.158225    0.907502 0.531526     1.2906   -0.832801    1.27632  0.763389 0.35395   0.626022 0.306073  
1 1 1 55 35 20 o 1.02857  0.369531  1.83025      0.970674 1.81516      1.36427  1.84573      1.38137  0.950118 0.40564   0.953337 0.407631  
1 1 1 55 35 21 o 0.645435 0.298446  0.282233     0.909558 1.06575      1.34331  -0.381107    1.236    0.768996 0.358298  0.618429 0.30209   
1 1 1 55 36 0  o 1.52864  0.461687  3.18049      1.2287   3.18049      1.2287   3.18049      1.2287   1.67563  0.283668  ?        ?         
1 1 1 55 36 1  o 2.0881   0.18998   4.6002       0.793397 3.44886      1.19714  5.502        1.0595   1.67083  0.368162  2.25271  0.23516   
1 1 1 55 36 2  o 4.44763  0.109097  20.1436      0.97045  18.4532      1.45554  21.4963      1.30209  4.19985  0.173284  4.56557  0.142599  
1 1 1 55 36 3  o 1.14428  0.336182  1.59115      0.819581 0.867758     1.17168  2.2842       1.14685  0.955968 0.389112  1.32612  0.399591  
1 1 1 55 36 4  o 0.68015  0.301713  -0.0429062   0.820617 -1.40843     1.12674  1.49966      1.19755  0.611305 0.296117  1.10161  0.408683  
1 1 1 55 36 5  o 2.12626  0.19808   4.81146      0.84234  4.82131      1.17052  4.80089      1.21312  2.06285  0.283713  2.04768  0.296218  
1 1 1 55 36 6  o 1.88898  0.224735  3.87596      0.849044 4.87256      1.24288  3.00395      1.1626   2.0516   0.302905  1.52665  0.381456  
1 1 1 55 36 7  o 0.864373 0.330683  0.786463     0.800021 0.648734     1.17711  0.904699     1.09063  0.896557 0.379547  0.935878 0.377553  
1 1 1 55 36 8  o 0.696354 0.302718  0.138711     0.785415 -0.204935    1.12491  0.465572     1.0971   0.741413 0.338351  0.844139 0.362182  
1 1 1 55 36 9  o 1.4615   0.28431   2.51279      0.801383 3.16001      1.13243  1.86353      1.13422  1.56796  0.367195  1.17488  0.401504  
1 1 1 55 36 10 o 0.637627 0.288309  -0.144222    0.784862 1.50798      1.13     -1.68419     1.09095  1.07405  0.397283  0.566586 0.278688  
1 1 1 55 36 11 o 0.833927 0.327324  0.727995     0.795466 0.353426     1.10958  1.12407      1.141    0.813121 0.356606  0.97021  0.388333  
1 1 1 55 36 12 o 1.75629  0.238602  3.49057      0.838108 2.5776       1.16376  4.47427      1.208    1.33568  0.402539  1.90567  0.316948  
1 1 1 55 36 13 o 0.50772  0.247162  -1.03934     0.802477 0.0956409    1.17858  -2.02029     1.09569  0.765272 0.348455  0.53035  0.26378   
1 1 1 55 36 14 o 1.90959  0.22295   4.13886      0.851483 3.29108      1.19854  5.00277      1.20989  1.49709  0.394655  2.00395  0.301876  
1 1 1 55 36 15 o 0.825844 0.329364  0.805146     0.817362 1.05877      1.1119   0.506953     1.20563  0.906356 0.375397  0.816099 0.363572  
1 1 1 55 36 16 o 0.849992 0.33763   0.945045     0.855739 1.95894      1.1417   -0.354804    1.29271  1.09176  0.399917  0.706516 0.33609   
1 1 1 55 36 17 o 0.664397 0.3022    0.152803     0.881291 -0.653143    1.20856  1.06801      1.28788  0.638956 0.309011  0.857777 0.37956   
1 1 1 55 36 18 o 0.776664 0.331674  0.802584     0.91252  1.05508      1.29159  0.550942     1.28941  0.831865 0.373291  0.76464  0.354245  
1 1 1 55 36 19 o 0.691071 0.309508  0.37112      0.884105 1.12374      1.31305  -0.253064    1.19578  0.843337 0.37746   0.66313  0.317585  
1 1 1 55 36 20 o 0.610359 0.286283  0.0452341    0.887682 -0.7162      1.2399   0.845892     1.27144  0.59658  0.293836  0.747576 0.348419  
1 1 1 55 37 0  f 0.636744 0.408652  0.391149     1.14009  0.391149     1.14009  0.391149     1.14009  0.575783 0.357974  ?        ?         
1 1 1 55 37 1  o 0.818937 0.334142  0.55783      0.86612  0.391125     1.14546  0.780383     1.3235   0.846457 0.366737  0.948552 0.402053  
1 1 1 55 37 2  o 3.52565  0.152407  12.9376      1.07467  12.4803      1.506    13.4121      1.53401  3.38814  0.222246  3.51762  0.218046  
1 1 1 55 37 3  o 1.23734  0.351443  1.94073      0.910551 2.77287      1.2153   0.875779     1.37484  1.43384  0.405621  0.968485 0.410102  
1 1 1 55 37 4  o 1.69948  0.273591  3.28202      0.929928 3.04382      1.22727  3.60317      1.42501  1.50872  0.400107  1.60928  0.43313   
1 1 1 55 37 5  o 1.14642  0.348561  1.66765      0.870021 0.776358     1.20181  2.64908      1.26112  0.922496 0.386667  1.38199  0.41955   
1 1 1 55 37 6  o 1.97853  0.229318  4.30072      0.907427 3.32136      1.20677  5.57499      1.37652  1.59362  0.38284   2.16611  0.317739  
1 1 1 55 37 7  o 0.875839 0.336307  0.831016     0.829965 0.746057     1.18582  0.9126       1.16204  0.910095 0.382897  0.940273 0.385905  
1 1 1 55 37 8  o 1.19868  0.337241  1.82098      0.842337 3.44264      1.2019   0.255573     1.18087  1.62232  0.377232  0.819674 0.362978  
1 1 1 55 37 9  o 1.02043  0.340573  1.32472      0.816089 1.00391      1.16191  1.63708      1.14649  0.946226 0.386702  1.0948   0.400782  
1 1 1 55 37 10 o 1.9129   0.222147  4.06981      0.84989  5.34658      1.24044  2.94016      1.16679  2.11477  0.293281  1.44826  0.39289   
1 1 1 55 37 11 o 2.04906  0.213491  4.66907      0.874911 3.93         1.17853  5.5765       1.30587  1.72286  0.354174  2.12876  0.306722  
1 1 1 55 37 12 o 1.33796  0.319391  2.33315      0.84405  2.21976      1.12704  2.47797      1.27371  1.20956  0.400231  1.24479  0.425477  
1 1 1 55 37 13 o 1.08643  0.34474   1.64308      0.839715 1.52357      1.16274  1.77336      1.21399  1.01261  0.396089  1.06718  0.407618  
1 1 1 55 37 14 f 0.838739 0.339807  0.843122     0.888751 0.0519654    1.20176  1.79813      1.32036  0.747724 0.344716  1.05239  0.41896   
1 1 1 55 37 15 o 0.816044 0.334406  0.844074     0.87125  1.77343      1.20989  -0.156915    1.25565  1.02028  0.40266   0.712531 0.335746  
1 1 1 55 37 16 o 0.717779 0.31644   0.461347     0.884008 2.18319      1.23643  -1.33924     1.26439  1.07093  0.410694  0.594656 0.293274  
1 1 1 55 37 17 o 0.643733 0.293481  0.146515     0.841772 0.273309     1.21805  0.030597     1.16464  0.72221  0.338134  0.686621 0.323482  
1 1 1 55 37 18 o 0.975319 0.344351  1.53898      0.839635 1.84337      1.218    1.26334      1.15904  0.973415 0.396556  0.866375 0.372013  
1 1 1 55 37 19 o 0.60067  0.282919  -0.028173    0.889807 0.155485     1.30165  -0.189288    1.21915  0.676081 0.325607  0.635032 0.307739  
1 1 1 55 38 0  o 1.09507  0.522685  2.16647      1.30156  2.16647      1.30156  2.16647      1.30156  1.23427  0.417603  ?        ?         
1 1 1 55 38 1  o 0.729094 0.321809  0.102135     0.917942 1.04045      1.28522  -0.874946    1.31151  0.982332 0.404955  0.711335 0.338449  
1 1 1 55 38 2  o 2.80036  0.183629  8.34359      1.02845  8.62297      1.4658   8.07269      1.44336  2.75867  0.265672  2.66284  0.271019  
1 1 1 55 38 3  o 0.657561 0.301549  -0.29126     0.905788 -0.493063    1.1945   -0.0182069   1.38945  0.719932 0.336378  0.828616 0.377578  
1 1 1 55 38 4  o 0.675545 0.307368  -0.189403    0.913275 0.547058     1.24966  -1.03365     1.33799  0.883076 0.382835  0.701221 0.335854  
1 1 1 55 38 5  o 1.58946  0.286192  2.98009      0.87661  2.17287      1.2358   3.79763      1.24367  1.24101  0.419097  1.71039  0.373862  
1 1 1 55 38 6  o 3.41374  0.151239  12.1955      1.03258  12.2158      1.4066   12.1718      1.52064  3.34783  0.210077  3.3157   0.229309  
1 1 1 55 38 7  o 0.574133 0.275563  -0.885277    0.912672 -1.14668     1.29945  -0.630786    1.28216  0.669728 0.323229  0.716345 0.338049  
1 1 1 55 38 8  o 1.01346  0.364061  1.36706      0.94213  1.30586      1.29468  1.43594      1.37357  0.999879 0.408342  1.02765  0.420294  
1 1 1 55 38 9  o 1.40072  0.329097  2.54748      0.907316 3.62015      1.2585   1.3865       1.30928  1.59611  0.395705  1.00403  0.410438  
1 1 1 55 38 10 o 1.31158  0.336158  2.29825      0.885842 1.86453      1.26715  2.71283      1.23886  1.09576  0.417054  1.32205  0.418656  
1 1 1 55 38 11 o 1.17495  0.348852  1.92285      0.878451 2.19707      1.24039  1.64691      1.24426  1.17022  0.417995  1.03784  0.408735  
1 1 1 55 38 12 o 0.624227 0.290222  -0.268141    0.875361 1.01419      1.22867  -1.58995     1.24744  0.904365 0.385494  0.599215 0.29514   
1 1 1 55 38 13 o 2.6659   0.204421  7.99213      1.08993  9.04381      1.53392  6.91968      1.54898  2.70216  0.283832  2.26785  0.34151   
1 1 1 55 38 14 o 0.708735 0.313797  0.381069     0.882034 0.506151     1.2648   0.262645     1.23067  0.783582 0.358081  0.747663 0.346265  
1 1 1 55 38 15 o 0.604361 0.282896  -0.160106    0.850866 1.14694      1.24974  -1.28945     1.16169  0.859469 0.377686  0.57148  0.281669  
1 1 1 55 38 16 o 0.511297 0.249019  -0.812724    0.818092 -1.72551     1.14804  0.128968     1.16608  0.533662 0.266061  0.69986  0.328237  
1 1 1 55 38 17 o 0.536177 0.25834   -0.57506     0.821575 -0.22948     1.23884  -0.846379    1.09769  0.668581 0.320931  0.583043 0.284778  
1 1 1 55 38 18 o 0.575275 0.274869  -0.195644    0.88262  0.303483     1.29491  -0.628745    1.20623  0.684237 0.328366  0.593032 0.292123  
1 1 1 55 39 0  o 0.50807  0.35876   -0.900106    1.35639  -0.900106    1.35639  -0.900106    1.35639  0.410417 0.292429  ?        ?         
1 1 1 55 39 1  o 0.683246 0.311372  -0.172091    0.945503 -0.741117    1.33291  0.404232     1.34142  0.721153 0.342209  0.865152 0.384517  
1 1 1 55 39 2  o 1.00161  0.361778  1.28391      0.931469 1.32742      1.36578  1.24607      1.27363  1.02311  0.41888   1.00179  0.406407  
1 1 1 55 39 3  o 1.42334  0.34059   2.60645      0.958024 2.92384      1.33831  2.27288      1.37202  1.40031  0.433643  1.2242   0.439381  
1 1 1 55 39 4  o 0.463659 0.230858  -1.79596     0.850547 -1.33072     1.14892  -2.36012     1.26517  0.607371 0.295685  0.566532 0.282007  
1 1 1 55 39 5  o 0.972984 0.35251   1.22656      0.88495  1.44286      1.20628  0.974494     1.30223  1.0261   0.402977  0.936543 0.397966  
1 1 1 55 39 6  o 1.87329  0.243333  4.01162      0.911664 5.11144      1.24581  2.74366      1.33766  2.04341  0.304837  1.32286  0.436028  
1 1 1 55 39 7  o 0.851016 0.340483  0.828817     0.876615 2.13815      1.24412  -0.462169    1.23537  1.17333  0.418671  0.707778 0.333365  
1 1 1 55 39 8  o 1.0197   0.348242  1.43127      0.853254 2.3759       1.24108  0.584557     1.175    1.22497  0.419977  0.834146 0.366389  
1 1 1 55 39 9  o 1.58648  0.289694  3.13184      0.88506  4.18195      1.28939  2.19625      1.21706  1.71375  0.385537  1.17416  0.414582  
1 1 1 55 39 10 o 0.767503 0.32491   0.536393     0.862582 0.828206     1.28027  0.293811     1.16729  0.877944 0.384058  0.778963 0.351941  
1 1 1 55 39 11 o 0.635537 0.289812  -0.0744515   0.821905 -0.566337    1.13763  0.462636     1.18875  0.658094 0.313872  0.801847 0.359013  
1 1 1 55 39 12 o 1.00502  0.348172  1.51131      0.85488  0.70389      1.2005   2.34196      1.21765  0.818408 0.363749  1.1568   0.414051  
1 1 1 55 39 13 o 0.510089 0.250689  -1.09367     0.87966  -1.01953     1.299    -1.15646     1.19549  0.627961 0.307431  0.594068 0.292054  
1 1 1 55 39 14 o 0.476007 0.236547  -1.4153      0.871665 -2.22523     1.22998  -0.598113    1.23548  0.525137 0.264232  0.639702 0.309936  
1 1 1 55 39 15 f 0.576469 0.273737  -0.352502    0.854156 -1.06021     1.25531  0.257651     1.16559  0.606305 0.298457  0.718389 0.334346  
1 1 1 55 39 16 o 0.62066  0.289211  -0.0146458   0.875486 -0.47182     1.26679  0.40337      1.21132  0.646108 0.313289  0.728606 0.339773  
1 1 1 55 39 17 o 0.589671 0.278393  -0.0379347   0.871412 0.293528     1.28999  -0.316145    1.18183  0.677577 0.325793  0.610555 0.297708  
1 1 1 55 40 0  o 2.1499   0.353311  5.58191      1.39537  5.58191      1.39537  5.58191      1.39537  2.26616  0.222629  ?        ?         
1 1 1 55 40 1  o 1.39148  0.33886   2.55646      0.935569 2.69338      1.34034  2.42636      1.3065   1.3021   0.436465  1.24049  0.430358  
1 1 1 55 40 2  o 1.50314  0.334767  2.95081      0.980249 3.59531      1.40463  2.33892      1.36864  1.52192  0.437868  1.20478  0.438199  
1 1 1 55 40 3  o 3.23298  0.168799  11.2079      1.09145  10.3255      1.50685  12.1819      1.58305  2.98181  0.252674  3.25558  0.243129  
1 1 1 55 40 4  o 0.581248 0.279349  -0.833143    0.94574  -1.52341     1.33349  -0.134551    1.34151  0.633771 0.310567  0.765488 0.357203  
1 1 1 55 40 5  o 1.69582  0.275531  3.45748      0.934502 2.22864      1.34233  4.61318      1.30177  1.16607  0.432666  1.83621  0.36745   
1 1 1 55 40 6  o 0.857466 0.344888  0.882154     0.906258 1.53542      1.26887  0.20191      1.2948   1.01359  0.407926  0.792278 0.362159  
1 1 1 55 40 7  o 1.33146  0.331538  2.37765      0.880522 1.63278      1.21761  3.19421      1.27485  1.03389  0.405141  1.43128  0.418896  
1 1 1 55 40 8  o 1.05352  0.357364  1.59067      0.898545 0.50907      1.24965  2.74847      1.29292  0.822422 0.368163  1.29253  0.428675  
1 1 1 55 40 9  o 1.62321  0.300313  3.36005      0.938247 1.65389      1.29748  5.23012      1.35838  1.02041  0.411741  1.9423   0.363148  
1 1 1 55 40 10 o 1.04295  0.353373  1.63298      0.878588 1.09266      1.2466   2.16627      1.23846  0.889356 0.383915  1.11357  0.415109  
1 1 1 55 40 11 o 2.01672  0.225207  4.81812      0.908361 4.87544      1.30024  4.76348      1.26954  1.79803  0.37397   1.78752  0.367714  
1 1 1 55 40 12 o 1.06364  0.361806  1.8561       0.921019 2.84548      1.31974  0.916749     1.28595  1.19365  0.430679  0.823951 0.370984  
1 1 1 55 40 13 o 0.635494 0.295965  -0.011384    0.915289 0.52966      1.3409   -0.483412    1.25246  0.765702 0.357232  0.649771 0.314298  
1 1 1 55 40 14 o 0.542086 0.262105  -0.674786    0.867687 -0.309923    1.2338   -1.03183     1.2205   0.666126 0.31988   0.600899 0.295309  
1 1 1 55 40 15 o 0.57847  0.273572  -0.220169    0.845402 -0.157732    1.24519  -0.273561    1.15146  0.661164 0.318433  0.635268 0.306023  
1 1 1 55 40 16 o 0.603626 0.285159  0.00611163   0.916306 -0.482793    1.32797  0.450419     1.26596  0.618049 0.304415  0.691101 0.329968  
1 1 1 55 41 0  o 2.77584  0.272223  8.67235      1.47793  8.67235      1.47793  8.67235      1.47793  2.86358  0.184222  ?        ?         
1 1 1 55 41 1  o 0.852287 0.347696  0.854123     0.937664 -0.055382    1.29799  1.84678      1.35603  0.759306 0.353171  1.072    0.425267  
1 1 1 55 41 2  f 1.77151  0.269895  3.76619      0.956243 4.44824      1.33502  3.04757      1.37034  1.76303  0.389048  1.35521  0.441322  
1 1 1 55 41 3  f 2.10891  0.233102  5.11468      0.983181 5.26103      1.31764  4.93086      1.47679  2.01761  0.326534  1.81734  0.415217  
1 1 1 55 41 4  o 1.09754  0.372341  1.77146      0.975434 1.89225      1.31277  1.62257      1.45749  1.08108  0.421279  1.01933  0.426456  
1 1 1 55 41 5  o 1.99297  0.238797  4.6129       0.951832 3.86312      1.322    5.41993      1.37155  1.59309  0.411964  1.99348  0.356919  
1 1 1 55 41 6  f 1.87221  0.256826  4.1733       0.961661 2.62953      1.32588  5.88684      1.39688  1.24267  0.433306  2.11778  0.329799  
1 1 1 55 41 7  o 2.82558  0.182847  8.80002      1.0333   7.51969      1.48358  10.0062      1.44     2.41869  0.30669   2.90401  0.247934  
1 1 1 55 41 8  o 1.01572  0.363657  1.61703      0.939343 2.27648      1.35906  1.01386      1.29978  1.09967  0.428617  0.869687 0.38352   
1 1 1 55 41 9  o 1.01403  0.359582  1.64908      0.916452 2.86044      1.28283  0.386434     1.3097   1.23582  0.426663  0.768584 0.356436  
1 1 1 55 41 10 o 0.804206 0.339171  0.881078     0.934191 1.1217       1.33436  0.649753     1.30832  0.856476 0.381998  0.790636 0.362506  
1 1 1 55 41 11 f 0.523456 0.257091  -1.02392     0.92262  -0.862157    1.2464   -1.22        1.37222  0.617199 0.301924  0.616014 0.304219  
1 1 1 55 41 12 o 0.853997 0.347223  1.12889      0.931948 1.97803      1.26956  0.136612     1.37239  1.00084  0.405865  0.731517 0.347181  
1 1 1 55 41 13 o 0.613406 0.28677   -0.0658967   0.869728 0.755142     1.28566  -0.758648    1.18096  0.782107 0.358913  0.607318 0.296394  
1 1 1 55 41 14 o 0.584077 0.277241  -0.144295    0.875398 -0.456607    1.21139  0.19705      1.26644  0.612585 0.299197  0.678993 0.32558   
1 1 1 55 42 0  o 1.25297  0.534766  2.90613      1.35685  2.90613      1.35685  2.90613      1.35685  1.4802   0.375359  ?        ?         
1 1 1 55 42 1  o 1.19744  0.36023   2.08442      0.932547 2.13594      1.30545  2.03074      1.33261  1.12162  0.424357  1.09323  0.42477   
1 1 1 55 42 2  o 1.50199  0.32412   3.0174       0.945937 3.29983      1.31175  2.71139      1.36538  1.41569  0.42751   1.23942  0.438965  
1 1 1 55 42 3  o 1.96978  0.244504  4.60154      0.96324  2.83438      1.28725  6.85013      1.45204  1.28536  0.427733  2.2857   0.317636  
1 1 1 55 42 4  o 0.779129 0.334149  0.639755     0.933151 1.18801      1.29087  0.0396892    1.35049  0.906211 0.390926  0.752938 0.35315   
1 1 1 55 42 5  o 2.34175  0.205853  6.29689      0.96411  7.83959      1.35622  4.7208       1.37081  2.50096  0.271139  1.72659  0.403774  
1 1 1 55 42 6  o 0.863241 0.347812  1.09551      0.923942 0.678757     1.25766  1.58418      1.36185  0.802715 0.36385   0.945535 0.404532  
1 1 1 55 42 7  o 1.79339  0.268003  4.08296      0.961269 3.6111       1.33955  4.58393      1.38024  1.39738  0.434067  1.64441  0.418512  
1 1 1 55 42 8  o 0.747547 0.328904  0.60507      0.950123 1.05089      1.33342  0.145269     1.35417  0.84168  0.378434  0.733182 0.346503  
1 1 1 55 42 9  o 0.878808 0.354108  1.26699      0.957785 0.361947     1.34276  2.20443      1.36658  0.745455 0.350089  1.01677  0.418097  
1 1 1 55 42 10 o 0.858568 0.350317  1.1538       0.952011 0.0631673    1.29952  2.41713      1.39863  0.714303 0.338456  1.06175  0.427874  
1 1 1 55 42 11 o 1.28943  0.363517  2.68914      0.977729 3.06163      1.41961  2.35301      1.34856  1.17539  0.443163  1.04659  0.420815  
1 1 1 55 42 12 o 0.912861 0.358657  1.53091      0.955916 0.942277     1.34776  2.12677      1.35602  0.782283 0.362324  0.954191 0.405801  
1 1 1 55 42 13 o 0.536755 0.263087  -0.710111    0.957869 -1.67813     1.36811  0.220676     1.34154  0.551179 0.277344  0.674553 0.326112  
1 1 1 55 43 0  o 2.12089  0.379561  5.88739      1.45576  5.88739      1.45576  5.88739      1.45576  2.29023  0.230056  ?        ?         
1 1 1 55 43 1  o 0.824728 0.340961  0.947207     0.914619 1.65645      1.3187   0.289772     1.26963  0.954812 0.402844  0.748987 0.348727  
1 1 1 55 43 2  o 1.14646  0.365266  2.11445      0.941979 1.6131       1.30181  2.66543      1.36473  0.945826 0.399713  1.14951  0.434186  
1 1 1 55 43 3  o 0.877681 0.350433  1.18509      0.926233 1.65169      1.25917  0.634921     1.36728  0.952901 0.397374  0.796396 0.367358  
1 1 1 55 43 4  o 0.608084 0.287037  -0.278137    0.925594 -1.15171     1.27233  0.703902     1.34901  0.606893 0.298935  0.799492 0.367208  
1 1 1 55 43 5  o 0.93021  0.355519  1.42211      0.923958 1.2719       1.30536  1.57293      1.30799  0.872431 0.384586  0.921304 0.395383  
1 1 1 55 43 6  o 0.511067 0.251729  -1.0989      0.904546 0.153267     1.2977   -2.28219     1.26151  0.719325 0.339642  0.527655 0.265512  
1 1 1 55 43 7  o 0.759914 0.332992  0.690342     0.965832 0.194931     1.39204  1.1502       1.34116  0.736944 0.34971   0.848404 0.380558  
1 1 1 55 43 8  o 0.495647 0.246698  -1.56851     0.967034 -1.10313     1.35892  -2.04595     1.37643  0.625605 0.30814   0.570171 0.285086  
1 1 1 55 43 9  o 0.776022 0.338171  0.805399     0.984747 1.75079      1.33866  -0.309499    1.45373  0.931682 0.39992   0.69187  0.33552   
1 1 1 55 43 10 o 0.910247 0.359348  1.51914      0.963886 0.217644     1.33332  2.94395      1.39505  0.704526 0.336915  1.10294  0.433296  
1 1 1 55 43 11 o 0.820355 0.345942  1.29417      0.971673 1.25929      1.3664   1.32985      1.38203  0.781164 0.362961  0.788853 0.365955  
1 1 1 55 44 0  o 2.59776  0.284964  8.03718      1.43988  8.03718      1.43988  8.03718      1.43988  2.72165  0.189144  ?        ?         
1 1 1 55 44 1  o 1.43649  0.346557  3.12817      0.985635 3.71534      1.4455   2.61795      1.34745  1.32756  0.453264  1.11012  0.427995  
1 1 1 55 44 2  o 0.82274  0.344289  1.00702      0.950296 0.804749     1.33237  1.21647      1.35578  0.801273 0.366731  0.857439 0.383667  
1 1 1 55 44 3  o 0.61965  0.290998  -0.158916    0.927461 -0.899032    1.25595  0.728718     1.37543  0.618323 0.302615  0.795764 0.367593  
1 1 1 55 44 4  o 0.756945 0.330864  0.668257     0.948625 -0.0817437   1.32432  1.45863      1.35949  0.70398  0.336443  0.899099 0.394517  
1 1 1 55 44 5  o 0.99045  0.369638  1.69277      0.982563 0.786282     1.39141  2.59443      1.38771  0.804121 0.370793  1.0991   0.432037  
1 1 1 55 44 6  o 0.694141 0.315137  0.353526     0.948519 0.46549      1.33658  0.23993      1.34629  0.753235 0.352936  0.730128 0.345264  
1 1 1 55 44 7  o 0.617569 0.291085  -0.126188    0.945166 -1.21939     1.37053  0.865262     1.30519  0.605038 0.300058  0.787331 0.361444  
1 1 1 55 44 8  o 0.548738 0.26716   -0.620042    0.938578 0.967783     1.35762  -2.07376     1.29902  0.770678 0.359515  0.528944 0.266741  
1 1 1 55 44 9  o 0.527684 0.259911  -0.833531    0.965901 0.0869418    1.38357  -1.70867     1.34907  0.667553 0.324851  0.546326 0.274905  
1 1 1 55 45 0  o 3.22639  0.248451  11.9268      1.58134  11.9268      1.58134  11.9268      1.58134  3.34281  0.168222  ?        ?         
1 1 1 55 45 1  o 0.724714 0.326346  0.54019      0.995438 1.04057      1.43761  0.0793194    1.37969  0.817131 0.376833  0.711314 0.340775  
1 1 1 55 45 2  o 0.934159 0.366609  1.58079      0.997785 1.2328       1.42798  1.91277      1.39477  0.836764 0.38169   0.936496 0.4052    
1 1 1 55 45 3  o 0.646016 0.302386  0.0859974    0.971907 0.441219     1.33919  -0.309302    1.41272  0.732211 0.345521  0.671877 0.327229  
1 1 1 55 45 4  o 1.21947  0.376501  2.6912       1.00987  1.7204       1.39176  3.77069      1.4676   0.875508 0.390317  1.23308  0.453247  
1 1 1 55 45 5  o 1.00699  0.36566   1.97816      0.952676 0.200322     1.35347  3.72389      1.34119  0.681864 0.329282  1.25491  0.43597   
1 1 1 55 45 6  o 0.721374 0.32202   0.773358     0.950075 0.964503     1.35804  0.590128     1.32963  0.747569 0.351352  0.708594 0.338282  
1 1 1 56 0  0  o 13.8784  0.198689  193.256      5.51241  193.256      5.51241  193.256      5.51241  13.89    0.140344  ?        ?         
1 1 1 56 0  1  o 8.27614  0.102261  68.5757      1.69207  68.5757      1.69207  68.5757      1.69207  8.27859  0.0722756 ?        ?         
1 1 1 56 0  2  o 5.45544  0.0978191 29.8105      1.06652  29.8105      1.06652  29.8105      1.06652  5.45767  0.0691151 ?        ?         
1 1 1 56 0  3  o 3.36822  0.118912  11.3987      0.798777 11.3987      0.798777 11.3987      0.798777 3.37222  0.0838633 ?        ?         
1 1 1 56 0  4  o 12.2165  0.133266  149.488      3.25521  149.488      3.25521  149.488      3.25521  12.2215  0.094182  ?        ?         
1 1 1 56 0  5  o 3.2947   0.12294   10.9124      0.807543 10.9124      0.807543 10.9124      0.807543 3.29906  0.0866779 ?        ?         
1 1 1 56 0  6  o 5.4191   0.101118  29.4203      1.09508  29.4203      1.09508  29.4203      1.09508  5.42157  0.0714406 ?        ?         
1 1 1 56 0  7  o 9.31458  0.10953   86.8809      2.03981  86.8809      2.03981  86.8809      2.03981  9.31776  0.0774107 ?        ?         
1 1 1 56 0  8  o 1.7142   0.214684  3.08513      0.710028 3.08513      0.710028 3.08513      0.710028 1.73649  0.146986  ?        ?         
1 1 1 56 0  9  o 2.81369  0.134169  7.98342      0.751106 7.98342      0.751106 7.98342      0.751106 2.81964  0.094421  ?        ?         
1 1 1 56 0  10 o 2.31844  0.152271  5.45605      0.699077 5.45605      0.699077 5.45605      0.699077 2.32726  0.106714  ?        ?         
1 1 1 56 0  11 o 9.38378  0.123817  88.2368      2.32283  88.2368      2.32283  88.2368      2.32283  9.38863  0.0874892 ?        ?         
1 1 1 56 0  12 o 2.18303  0.1773    4.87452      0.762356 4.87452      0.762356 4.87452      0.762356 2.19573  0.12365   ?        ?         
1 1 1 56 0  13 o 4.08129  0.120125  16.7271      0.978605 16.7271      0.978605 16.7271      0.978605 4.0856   0.0847673 ?        ?         
1 1 1 56 0  14 o 0.709263 0.392562  0.72055      0.80298  0.72055      0.80298  0.72055      0.80298  0.693302 0.343264  ?        ?         
1 1 1 56 0  15 o 2.38806  0.174161  5.81651      0.821648 5.81651      0.821648 5.81651      0.821648 2.40014  0.121748  ?        ?         
1 1 1 56 0  16 o 1.94748  0.224331  3.96789      0.847404 3.96789      0.847404 3.96789      0.847404 1.97076  0.154195  ?        ?         
1 1 1 56 0  17 o 0.583582 0.364859  0.258761     0.850406 0.258761     0.850406 0.258761     0.850406 0.514569 0.314449  ?        ?         
1 1 1 56 0  18 o 1.8285   0.249271  3.55967      0.873972 3.55967      0.873972 3.55967      0.873972 1.85942  0.169412  ?        ?         
1 1 1 56 0  19 o 0.596601 0.373462  0.269307     0.894436 0.269307     0.894436 0.269307     0.894436 0.525966 0.321932  ?        ?         
1 1 1 56 0  20 o 2.85107  0.177097  8.27133      1.0009   8.27133      1.0009   8.27133      1.0009   2.86368  0.124103  ?        ?         
1 1 1 56 0  21 o 4.4171   0.132987  19.6348      1.17243  19.6348      1.17243  19.6348      1.17243  4.42409  0.0937902 ?        ?         
1 1 1 56 0  22 o 2.72295  0.185383  7.57962      0.998835 7.57962      0.998835 7.57962      0.998835 2.73828  0.129626  ?        ?         
1 1 1 56 0  23 o 1.28529  0.444382  2.22592      1.02771  2.22592      1.02771  2.22592      1.02771  1.39502  0.296428  ?        ?         
1 1 1 56 0  24 f 0.51111  0.346083  -0.347085    1.00735  -0.347085    1.00735  -0.347085    1.00735  0.415511 0.284558  ?        ?         
1 1 1 56 0  25 o 0.905025 0.469105  1.29907      1.08518  1.29907      1.08518  1.29907      1.08518  0.936555 0.402431  ?        ?         
1 1 1 56 0  26 f 0.756104 0.445982  0.789869     1.13007  0.789869     1.13007  0.789869     1.13007  0.719123 0.393945  ?        ?         
1 1 1 56 0  27 o 1.84572  0.357599  3.90049      1.17607  3.90049      1.17607  3.90049      1.17607  1.91987  0.223454  ?        ?         
1 1 1 56 0  28 o 3.22927  0.195084  10.7142      1.24943  10.7142      1.24943  10.7142      1.24943  3.25149  0.136403  ?        ?         
1 1 1 56 0  29 o 1.72785  0.379585  3.5622       1.14667  3.5622       1.14667  3.5622       1.14667  1.82072  0.231021  ?        ?         
1 1 1 56 0  30 o 0.95717  0.484677  1.55623      1.14299  1.55623      1.14299  1.55623      1.14299  1.02476  0.409056  ?        ?         
1 1 1 56 0  31 o 0.528636 0.361574  -0.360838    1.14222  -0.360838    1.14222  -0.360838    1.14222  0.435793 0.299679  ?        ?         
1 1 1 56 0  32 o 0.683322 0.427747  0.616369     1.17335  0.616369     1.17335  0.616369     1.17335  0.638923 0.379731  ?        ?         
1 1 1 56 0  33 o 0.36703  0.270212  -2.24018     1.15096  -2.24018     1.15096  -2.24018     1.15096  0.276629 0.205893  ?        ?         
1 1 1 56 0  34 o 0.607655 0.405361  0.227084     1.28697  0.227084     1.28697  0.227084     1.28697  0.543243 0.354566  ?        ?         
1 1 1 56 0  35 o 0.461397 0.33223   -1.19762     1.332    -1.19762     1.332    -1.19762     1.332    0.370963 0.268578  ?        ?         
1 1 1 56 0  36 o 0.681472 0.449973  0.945957     1.51917  0.945957     1.51917  0.945957     1.51917  0.672158 0.415509  ?        ?         
1 1 1 56 0  37 o 0.604412 0.420563  0.409076     1.72943  0.409076     1.72943  0.409076     1.72943  0.56499  0.382107  ?        ?         
1 1 1 56 1  0  o 5.33764  0.096278  28.5374      1.02704  28.5374      1.02704  28.5374      1.02704  5.33984  0.0680258 ?        ?         
1 1 1 56 1  1  o 4.83998  0.0689258 23.4416      0.667199 22.9533      0.942751 23.9317      0.944375 4.78755  0.0984587 4.88865  0.0965885 
1 1 1 56 1  2  o 6.20422  0.0679164 38.5184      0.842736 38.4065      1.18254  38.634       1.2013   6.19311  0.0954722 6.21132  0.0967026 
1 1 1 56 1  3  o 9.47589  0.0780374 89.8739      1.47895  90.331       2.05549  89.3832      2.12957  9.4959   0.108231  9.44524  0.112732  
1 1 1 56 1  4  o 1.55001  0.162578  2.41219      0.503994 2.35995      0.699421 2.46862      0.726884 1.53008  0.228557  1.5647   0.232275  
1 1 1 56 1  5  o 9.92819  0.083629  98.6771      1.66057  96.6792      2.33489  100.722      2.36215  9.82156  0.118865  10.025   0.117813  
1 1 1 56 1  6  o 11.1404  0.0912854 124.277      2.03391  124.006      2.92753  124.53       2.82783  11.12    0.131634  11.1445  0.126871  
1 1 1 56 1  7  o 3.32811  0.0915639 11.0922      0.609469 11.5608      0.883981 10.6677      0.841432 3.39515  0.130183  3.26147  0.128996  
1 1 1 56 1  8  o 6.11904  0.0760353 37.4816      0.930527 38.3603      1.30942  36.5851      1.3226   6.18731  0.105815  6.04203  0.10945   
1 1 1 56 1  9  f 7.09642  0.0738415 50.4112      1.04802  49.1803      1.46652  51.696       1.49824  7.00559  0.104668  7.18259  0.104297  
1 1 1 56 1  10 o 1.26748  0.206168  1.62013      0.522625 1.44192      0.74093  1.79659      0.737291 1.16897  0.311281  1.30432  0.290222  
1 1 1 56 1  11 o 1.66055  0.163179  2.77267      0.541934 3.2596       0.764473 2.28077      0.768363 1.79706  0.2127    1.47667  0.270225  
1 1 1 56 1  12 o 5.13138  0.0784731 26.3668      0.805351 26.4806      1.11483  26.2426      1.16469  5.13932  0.108461  5.1155   0.113839  
1 1 1 56 1  13 o 3.90409  0.0855274 15.2685      0.667813 15.1038      0.914176 15.4569      0.977902 3.87995  0.117808  3.92428  0.124597  
1 1 1 56 1  14 o 4.70363  0.0888805 22.1701      0.836121 21.2421      1.13569  23.2684      1.23552  4.59976  0.123451  4.81338  0.128342  
1 1 1 56 1  15 o 2.27676  0.13611   5.21103      0.619778 5.26996      0.894356 5.15658      0.85967  2.28327  0.195849  2.25926  0.190255  
1 1 1 56 1  16 o 0.792774 0.285057  0.547544     0.577717 1.35561      0.835882 -0.191476    0.799372 1.13652  0.340878  0.683862 0.301274  
1 1 1 56 1  17 o 4.02245  0.0908045 16.2244      0.730514 16.3538      1.03205  16.0945      1.03416  4.0329   0.127954  4.00058  0.129251  
1 1 1 56 1  18 o 1.27893  0.26175   1.7339       0.646426 1.04767      0.922065 2.39718      0.906503 1.04262  0.361556  1.49567  0.313136  
1 1 1 56 1  19 o 1.94707  0.164737  3.82892      0.641509 3.66701      0.886891 4.00658      0.929037 1.89582  0.233907  1.98157  0.23442   
1 1 1 56 1  20 o 2.7958   0.1259    7.86589      0.703981 8.15167      0.976473 7.5566       1.01585  2.83834  0.172015  2.73006  0.186049  
1 1 1 56 1  21 o 2.15927  0.153945  4.71314      0.664818 6.58324      0.967429 3.03974      0.915137 2.54478  0.190081  1.71572  0.266692  
1 1 1 56 1  22 o 3.02317  0.123399  9.21033      0.746109 9.48653      1.03748  8.91447      1.07377  3.0577   0.169651  2.96103  0.181316  
1 1 1 56 1  23 o 1.37326  0.276634  2.03098      0.733109 1.07737      1.04855  2.94292      1.02539  1.06026  0.383754  1.64241  0.323687  
1 1 1 56 1  24 o 1.50682  0.245822  2.35486      0.740818 3.03138      1.08449  1.763        1.01437  1.65754  0.338843  1.25961  0.375051  
1 1 1 56 1  25 o 0.893717 0.329915  0.724114     0.778479 0.709852     1.11061  0.737891     1.09151  0.972153 0.385114  0.973829 0.383048  
1 1 1 56 1  26 o 1.30012  0.306313  1.87507      0.784325 1.38677      1.0828   2.41408      1.13763  1.13716  0.392049  1.4477   0.38581   
1 1 1 56 1  27 o 1.22838  0.316069  1.69304      0.780856 1.13302      1.06316  2.34897      1.15061  1.05875  0.386103  1.4193   0.392445  
1 1 1 56 1  28 o 0.73821  0.311062  0.186094     0.784616 1.60826      1.10674  -1.25096     1.11251  1.18728  0.39661   0.643185 0.307623  
1 1 1 56 1  29 o 1.66577  0.244241  2.96532      0.813701 3.37534      1.14927  2.55318      1.15223  1.6989   0.350206  1.44864  0.389288  
1 1 1 56 1  30 o 1.26089  0.324258  1.86759      0.822174 2.89324      1.16831  0.861285     1.15723  1.53605  0.381533  0.972705 0.390355  
1 1 1 56 1  31 o 1.03074  0.339476  1.26432      0.810838 1.92839      1.13696  0.577004     1.15669  1.22431  0.401988  0.89623  0.377667  
1 1 1 56 1  32 o 0.805036 0.325341  0.570759     0.811856 -1.11214     1.13695  2.32155      1.15966  0.636202 0.305889  1.30655  0.403473  
1 1 1 56 1  33 o 1.63805  0.265663  3.10087      0.87034  4.46698      1.22576  1.71185      1.236    1.87821  0.338685  1.09828  0.413645  
1 1 1 56 1  34 o 0.665752 0.303765  -0.0719646   0.905766 -0.221203    1.27682  0.0792198    1.28512  0.735834 0.344814  0.774191 0.356747  
1 1 1 56 1  35 o 0.564716 0.273953  -0.87207     0.970675 -0.750173    1.34993  -1.00257     1.39675  0.669479 0.324258  0.658335 0.321481  
1 1 1 56 1  36 o 1.15701  0.390685  2.395        1.07392  2.89703      1.52323  1.89883      1.51431  1.11858  0.448285  0.950572 0.416744  
1 1 1 56 1  37 o 0.796841 0.359463  1.28738      1.21307  2.86809      1.734    -0.227748    1.69765  0.925725 0.421821  0.671157 0.333056  
1 1 1 56 2  0  o 2.14457  0.166524  4.69136      0.704341 4.69136      0.704341 4.69136      0.704341 2.15548  0.116303  ?        ?         
1 1 1 56 2  1  o 5.06588  0.0695977 25.6823      0.705148 25.5573      0.985396 25.8135      1.0095   5.05169  0.0975314 5.0768   0.099423  
1 1 1 56 2  2  o 8.06033  0.0738851 65.024       1.19108  63.0989      1.67054  67.0145      1.69868  7.93658  0.105243  8.17932  0.10384   
1 1 1 56 2  3  o 10.3048  0.082215  106.302      1.69442  104.459      2.36312  108.253      2.43086  10.2096  0.11573   10.3931  0.116945  
1 1 1 56 2  4  f 5.22627  0.0678333 27.3343      0.709031 27.3128      0.992738 27.3568      1.01301  5.2223   0.0950479 5.22635  0.0969139 
1 1 1 56 2  5  o 1.95177  0.130525  3.82026      0.50951  3.75638      0.686858 3.89843      0.759755 1.93299  0.177667  1.96826  0.193002  
1 1 1 56 2  6  o 7.20546  0.0745149 51.9689      1.07383  51.9288      1.50698  52.0103      1.53053  7.19924  0.104663  7.20468  0.106218  
1 1 1 56 2  7  f 3.14733  0.0943149 9.92167      0.59368  9.57694      0.854909 10.2428      0.825065 3.08928  0.138367  3.19558  0.129095  
1 1 1 56 2  8  o 1.11311  0.247966  1.30253      0.537702 2.13457      0.806912 0.637961     0.721147 1.42399  0.293363  0.873064 0.31803   
1 1 1 56 2  9  o 1.18381  0.247453  1.47095      0.566859 1.75048      0.885018 1.27651      0.738143 1.28526  0.339275  1.10544  0.317215  
1 1 1 56 2  10 o 4.10983  0.0845794 16.9156      0.695213 16.6109      0.96843  17.2396      0.998625 4.06974  0.118979  4.14589  0.120435  
1 1 1 56 2  11 o 5.41895  0.0794715 29.4053      0.861305 29.1702      1.24211  29.623       1.19537  5.39324  0.115154  5.43563  0.109957  
1 1 1 56 2  12 o 2.4063   0.115545  5.80828      0.55607  5.82498      0.753688 5.78833      0.823781 2.40664  0.156585  2.39768  0.171787  
1 1 1 56 2  13 o 5.31551  0.0816783 28.3026      0.868323 30.0406      1.18396  26.2796      1.27734  5.47282  0.108167  5.11627  0.124831  
1 1 1 56 2  14 o 3.15664  0.103853  9.99436      0.655657 11.7099      0.934737 8.33274      0.919918 3.41315  0.136932  2.87651  0.159902  
1 1 1 56 2  15 o 3.22061  0.10268   10.4048      0.661385 9.93644      0.893176 10.9734      0.9841   3.14286  0.142096  3.30181  0.149024  
1 1 1 56 2  16 o 5.14188  0.0899101 26.5071      0.924615 27.4655      1.31113  25.5589      1.3041   5.22753  0.125406  5.04201  0.129324  
1 1 1 56 2  17 o 1.65564  0.185345  2.77429      0.613729 2.45221      0.878675 3.0811       0.857597 1.51762  0.300171  1.73664  0.246913  
1 1 1 56 2  18 o 0.850398 0.300916  0.659449     0.641496 0.757125     0.901159 0.559105     0.91339  0.952005 0.354252  0.900659 0.351312  
1 1 1 56 2  19 o 2.73089  0.12555   7.50333      0.685728 7.07281      0.954415 7.9627       0.985882 2.6428   0.180569  2.80506  0.175733  
1 1 1 56 2  20 o 1.34329  0.242201  1.90065      0.626925 1.87631      0.893441 1.92425      0.879925 1.31473  0.33797   1.33203  0.33127   
1 1 1 56 2  21 o 4.02138  0.100519  16.2529      0.808452 17.0864      1.12308  15.3565      1.1647   4.11464  0.136474  3.89726  0.149425  
1 1 1 56 2  22 o 4.05116  0.105212  16.5092      0.852465 17.1548      1.15679  15.7419      1.26109  4.12008  0.140384  3.94059  0.160013  
1 1 1 56 2  23 o 2.69277  0.139698  7.33405      0.752347 7.84839      1.05351  6.79876      1.07476  2.77224  0.190011  2.57469  0.208717  
1 1 1 56 2  24 o 0.7369   0.309577  0.154189     0.773284 0.299907     1.1465   0.0325778    1.04738  0.897532 0.377001  0.813533 0.351553  
1 1 1 56 2  25 o 1.43187  0.28166   2.23214      0.777865 1.61949      1.11987  2.8033       1.08128  1.20965  0.398956  1.57808  0.351694  
1 1 1 56 2  26 o 2.16063  0.192647  4.80066      0.83248  3.5123       1.16308  6.15403      1.19206  1.77429  0.339881  2.42535  0.24575   
1 1 1 56 2  27 o 1.23607  0.320961  1.7255       0.800349 1.7359       1.04615  1.71082      1.24282  1.22935  0.383943  1.22809  0.420286  
1 1 1 56 2  28 o 3.00199  0.143586  9.20035      0.86209  8.04855      1.19918  10.4323      1.24021  2.77249  0.216264  3.16942  0.195653  
1 1 1 56 2  29 o 0.940152 0.33365   0.944027     0.78917  1.47033      1.1526   0.479547     1.08278  1.12759  0.402915  0.881276 0.368062  
1 1 1 56 2  30 o 1.96003  0.210206  4.06915      0.824022 2.71795      1.16704  5.41255      1.16366  1.47673  0.389499  2.22642  0.26133   
1 1 1 56 2  31 o 1.28293  0.318367  1.98041      0.814051 1.62066      1.13913  2.35587      1.16374  1.12903  0.400842  1.33755  0.402421  
1 1 1 56 2  32 o 0.642557 0.291257  -0.165879    0.805894 -0.666552    1.13251  0.347726     1.14704  0.681201 0.320361  0.831028 0.36353   
1 1 1 56 2  33 o 2.32933  0.193184  5.905        0.89998  7.46066      1.2832   4.39894      1.26258  2.54718  0.251887  1.82806  0.358102  
1 1 1 56 2  34 o 0.681321 0.309637  0.0110782    0.920939 -1.02346     1.29548  1.06805      1.30944  0.657542 0.318333  0.920742 0.395388  
1 1 1 56 2  35 o 0.693919 0.315392  0.238984     0.955967 0.853201     1.32277  -0.432566    1.38313  0.828946 0.374579  0.692996 0.334216  
1 1 1 56 2  36 f 0.736361 0.33418   0.486104     1.06441  0.648817     1.46449  0.303896     1.54974  0.792263 0.370903  0.764871 0.365164  
1 1 1 56 3  0  o 2.01495  0.182229  4.16942      0.720554 4.16942      0.720554 4.16942      0.720554 2.02882  0.126701  ?        ?         
1 1 1 56 3  1  o 5.06924  0.0691507 25.7174      0.701083 25.4047      1.00094  26.0186      0.982288 5.03618  0.0993746 5.09692  0.0963609 
1 1 1 56 3  2  o 2.18603  0.115165  4.78926      0.503508 4.67884      0.703939 4.90493      0.720486 2.15826  0.16308   2.20979  0.163021  
1 1 1 56 3  3  o 3.40621  0.0817568 11.6154      0.556962 11.0947      0.785788 12.1411      0.78955  3.32691  0.118096  3.4806   0.113422  
1 1 1 56 3  4  o 7.92647  0.0736507 62.8881      1.16758  63.6687      1.64508  62.0958      1.65741  7.97185  0.10318   7.87246  0.105266  
1 1 1 56 3  5  o 7.20687  0.0742391 51.9902      1.07006  52.5485      1.50677  51.4221      1.51991  7.242    0.10403   7.16369  0.106085  
1 1 1 56 3  6  o 2.40666  0.115405  5.80629      0.555481 4.42374      0.802227 7.07968      0.769907 2.09617  0.191355  2.6556   0.144959  
1 1 1 56 3  7  o 3.56919  0.0823684 12.7557      0.587977 13.6772      0.903389 12.0785      0.774469 3.69296  0.122312  3.47126  0.111554  
1 1 1 56 3  8  f 5.53394  0.0738374 30.6579      0.817224 29.6278      1.16381  31.6599      1.14782  5.43694  0.107028  5.62088  0.102103  
1 1 1 56 3  9  o 7.34107  0.0757624 53.9552      1.11235  52.8854      1.56971  55.0343      1.57652  7.26354  0.108054  7.40991  0.106379  
1 1 1 56 3  10 o 4.83345  0.0769324 23.392       0.743698 22.0183      1.10139  24.5432      1.00826  4.68545  0.117533  4.94862  0.101873  
1 1 1 56 3  11 o 4.05615  0.0863225 16.4805      0.700274 16.7972      1.0605   16.2357      0.932479 4.09056  0.129628  4.02317  0.115889  
1 1 1 56 3  12 o 6.15557  0.0810331 37.953       0.997611 37.4104      1.39931  38.5138      1.42265  6.10647  0.114576  6.19583  0.114807  
1 1 1 56 3  13 o 4.70308  0.0894207 22.1673      0.841105 22.4369      1.22819  21.9291      1.15425  4.72596  0.129941  4.67321  0.123496  
1 1 1 56 3  14 o 2.43666  0.119529  5.96192      0.582501 5.99498      0.817491 5.92782      0.830217 2.43861  0.167614  2.42449  0.171215  
1 1 1 56 3  15 o 2.83137  0.111233  8.04738      0.629886 7.85733      0.870144 8.25661      0.912987 2.79257  0.155796  2.86213  0.159494  
1 1 1 56 3  16 o 2.37813  0.130438  5.68785      0.620394 5.93821      0.893931 5.45522      0.861697 2.42286  0.184478  2.32209  0.185543  
1 1 1 56 3  17 o 2.28524  0.143522  5.26106      0.655965 5.51691      0.947923 5.02596      0.908671 2.33141  0.203294  2.22511  0.204185  
1 1 1 56 3  18 o 1.70295  0.185978  2.93692      0.63342  2.89924      0.904634 2.97315      0.887204 1.6803   0.269188  1.70301  0.260482  
1 1 1 56 3  19 f 5.10319  0.0876614 26.1222      0.894706 25.6002      1.2823   26.6174      1.24897  5.0434   0.127127  5.14407  0.121398  
1 1 1 56 3  20 o 2.75673  0.125559  7.65318      0.692264 7.68612      0.980986 7.6205       0.977042 2.75285  0.178176  2.74107  0.178223  
1 1 1 56 3  21 o 2.71195  0.130373  7.41795      0.707131 7.47047      0.990441 7.36335      1.00991  2.71043  0.182709  2.68968  0.187738  
1 1 1 56 3  22 o 1.83329  0.193158  3.43218      0.708228 3.45686      0.985997 3.40587      1.01794  1.82157  0.270644  1.805    0.281978  
1 1 1 56 3  23 o 1.56341  0.235453  2.52616      0.73622  2.04722      1.04352  3.00081      1.03884  1.35159  0.373742  1.65581  0.325291  
1 1 1 56 3  24 o 1.74961  0.226796  3.16596      0.793612 1.93473      1.14483  4.30496      1.10112  1.3093   0.400189  2.02551  0.271812  
1 1 1 56 3  25 o 1.19894  0.314869  1.59969      0.764739 0.712563     1.06365  2.54899      1.10029  0.957124 0.377603  1.49433  0.369707  
1 1 1 56 3  26 o 3.01835  0.141364  9.25205      0.853372 8.35607      1.22251  10.1035      1.19178  2.83991  0.215237  3.13481  0.190087  
1 1 1 56 3  27 o 0.833452 0.327695  0.53226      0.798533 1.18146      1.0471   -0.370091    1.23449  1.06534  0.383697  0.798151 0.361199  
1 1 1 56 3  28 o 2.81384  0.150428  8.11147      0.846558 8.28076      1.18395  7.93437      1.21094  2.81099  0.210593  2.7455   0.220531  
1 1 1 56 3  29 o 1.32733  0.306779  2.03012      0.798689 2.73528      1.16289  1.40047      1.09886  1.49412  0.38638   1.10246  0.393463  
1 1 1 56 3  30 o 3.36532  0.134401  11.6168      0.904602 12.2953      1.28536  10.951       1.27333  3.42159  0.18783   3.22086  0.197669  
1 1 1 56 3  31 o 0.976492 0.339685  1.1359       0.814423 0.581743     1.14526  1.70283      1.15838  0.88121  0.373781  1.14051  0.404285  
1 1 1 56 3  32 o 1.0104   0.33841   1.27155      0.805754 0.969433     1.14765  1.56525      1.13154  0.946534 0.385158  1.0878   0.398166  
1 1 1 56 3  33 o 1.75962  0.251898  3.59305      0.886491 3.45001      1.25467  3.73564      1.2527   1.5399   0.402802  1.62496  0.389863  
1 1 1 56 3  34 f 1.862    0.263129  4.15669      0.979896 4.4439       1.40944  3.888        1.36328  1.70522  0.416322  1.57378  0.423676  
1 1 1 56 3  35 o 0.689403 0.314126  0.243565     0.961424 0.500418     1.33315  -0.0347854   1.38782  0.773044 0.358929  0.721923 0.344874  
1 1 1 56 3  36 o 0.529121 0.262524  -1.3511      1.05237  0.275438     1.45905  -3.11483     1.51933  0.739006 0.353173  0.540591 0.274416  
1 1 1 56 4  0  o 2.74879  0.139333  7.62668      0.761504 7.62668      0.761504 7.62668      0.761504 2.75527  0.0979966 ?        ?         
1 1 1 56 4  1  o 2.59374  0.101154  6.73961      0.524731 8.14826      0.746635 5.36481      0.737611 2.85018  0.13098   2.31099  0.159587  
1 1 1 56 4  2  o 2.41387  0.107269  5.83871      0.517866 5.32369      0.7032   6.44904      0.765506 2.30252  0.152702  2.53433  0.151027  
1 1 1 56 4  3  o 2.88573  0.0928785 8.34041      0.536044 8.75232      0.74797  7.90546      0.768614 2.95414  0.126597  2.8069   0.136915  
1 1 1 56 4  4  o 6.82484  0.0733644 46.6246      1.0014   46.6116      1.42633  46.6373      1.40627  6.82038  0.104564  6.82245  0.103062  
1 1 1 56 4  5  o 4.73683  0.0758313 22.4621      0.718401 22.5174      1.03643  22.4109      0.99668  4.73988  0.109331  4.72904  0.105379  
1 1 1 56 4  6  o 4.06858  0.0775743 16.5729      0.631234 15.7314      0.931695 17.287       0.858225 3.96091  0.117611  4.15342  0.103315  
1 1 1 56 4  7  o 3.0382   0.0905392 9.24592      0.550152 10.1201      0.853649 8.62491      0.719503 3.17545  0.134414  2.93239  0.122682  
1 1 1 56 4  8  o 0.828877 0.259684  0.691301     0.478075 0.793714     0.693703 0.598662     0.659773 0.91828  0.313999  0.840322 0.304383  
1 1 1 56 4  9  o 8.65529  0.0782791 75.0131      1.35506  75.7194      1.89024  74.2664      1.94355  8.69069  0.108751  8.60605  0.112917  
1 1 1 56 4  10 o 4.0933   0.0779398 16.7784      0.638062 16.409       0.927259 17.1106      0.879357 4.04475  0.114625  4.13116  0.10643   
1 1 1 56 4  11 o 6.31213  0.0796418 39.9051      1.00542  38.6263      1.47084  41.0267      1.3775   6.20433  0.118534  6.39613  0.107682  
1 1 1 56 4  12 o 6.74024  0.0850508 45.5187      1.14653  44.8837      1.59902  46.1906      1.64481  6.68686  0.119564  6.78315  0.121243  
1 1 1 56 4  13 o 4.67503  0.0887264 21.905       0.829597 21.1118      1.26527  22.5032      1.09873  4.5824   0.138058  4.73473  0.116029  
1 1 1 56 4  14 o 1.74317  0.171162  3.06563      0.596729 2.66671      0.916802 3.35886      0.786017 1.58733  0.29973   1.81992  0.215948  
1 1 1 56 4  15 o 2.92341  0.108245  8.57881      0.632892 8.81854      0.873274 8.31359      0.918528 2.95902  0.147561  2.87127  0.159951  
1 1 1 56 4  16 o 1.41587  0.212741  2.03719      0.60243  1.85575      0.832576 2.23657      0.872775 1.31286  0.319634  1.44421  0.311057  
1 1 1 56 4  17 f 3.25582  0.113165  10.6489      0.736891 10.2044      1.02958  11.1157      1.05513  3.17942  0.161913  3.3189   0.158958  
1 1 1 56 4  18 o 7.10087  0.0948201 50.5987      1.34661  49.5462      1.90427  51.6515      1.90452  7.01378  0.135752  7.16228  0.132955  
1 1 1 56 4  19 f 1.64143  0.196878  2.7364       0.646321 1.3236       0.918838 4.12005      0.909308 1.12679  0.360929  2.00891  0.226319  
1 1 1 56 4  20 o 2.49953  0.1375    6.3064       0.68737  4.94358      0.95628  7.76321      0.988706 2.1979   0.217544  2.76453  0.17882   
1 1 1 56 4  21 f 0.621394 0.272047  -0.103923    0.64345  0.699118     0.900797 -0.94055     0.919442 0.925749 0.351842  0.611434 0.287873  
1 1 1 56 4  22 o 3.83574  0.10554   14.8083      0.809648 15.0568      1.12736  14.5436      1.16353  3.85635  0.146169  3.78764  0.153596  
1 1 1 56 4  23 o 1.32722  0.288161  1.91775      0.74346  2.10242      1.11106  1.76802      1.00044  1.3645   0.388424  1.2602   0.371807  
1 1 1 56 4  24 f 1.9821   0.19092   4.02977      0.756845 4.29804      1.04006  3.72782      1.10342  2.02669  0.256592  1.87439  0.294342  
1 1 1 56 4  25 o 1.62281  0.243722  2.75209      0.79103  3.54562      1.13064  1.99126      1.10711  1.78895  0.32826   1.31863  0.391656  
1 1 1 56 4  26 o 2.32919  0.181597  5.57542      0.845946 6.05011      1.17313  5.0612       1.221    2.40036  0.244366  2.17917  0.280152  
1 1 1 56 4  27 o 0.708438 0.308588  -0.00787092  0.819273 -0.878966    1.08339  1.15563      1.25209  0.673986 0.316153  1.08314  0.413892  
1 1 1 56 4  28 o 0.666609 0.294898  -0.0970472   0.776789 -0.101436    1.0688   -0.0921332   1.13093  0.771783 0.343116  0.793093 0.352758  
1 1 1 56 4  29 o 1.95138  0.209125  4.02022      0.816167 4.21455      1.11735  3.79793      1.19502  1.95325  0.286024  1.79795  0.344622  
1 1 1 56 4  30 o 2.17282  0.192351  4.98645      0.835889 4.90149      1.17055  5.07487      1.19405  2.09344  0.279575  2.12951  0.280359  
1 1 1 56 4  31 f 1.70674  0.241669  3.22514      0.824931 3.14129      1.15457  3.31258      1.17907  1.55935  0.374382  1.60359  0.374124  
1 1 1 56 4  32 o 1.09259  0.340277  1.54156      0.822489 1.18983      1.17231  1.88253      1.15425  0.985024 0.393891  1.15614  0.404178  
1 1 1 56 4  33 o 1.38596  0.338903  2.5821       0.932869 2.2964       1.32677  2.86143      1.31191  1.18321  0.431337  1.33243  0.431725  
1 1 1 56 4  34 o 0.675349 0.308287  0.0262778    0.934646 -0.783544    1.31461  0.854041     1.32909  0.670139 0.323779  0.863706 0.38345   
1 1 1 56 4  35 f 0.680533 0.315806  0.152818     1.03027  -1.40569     1.40228  1.98091      1.51872  0.609242 0.302381  0.95768  0.418623  
1 1 1 56 4  36 o 0.583586 0.284654  -0.598162    1.08378  -1.13472     1.4379   0.107578     1.64909  0.606356 0.301665  0.709988 0.347309  
1 1 1 56 5  0  o 1.14744  0.381126  1.70234      0.775883 1.70234      0.775883 1.70234      0.775883 1.23216  0.251833  ?        ?         
1 1 1 56 5  1  o 8.80559  0.0765147 77.6234      1.34751  78.5635      1.90083  76.6737      1.91055  8.85404  0.107342  8.74657  0.109217  
1 1 1 56 5  2  o 6.15476  0.0683831 37.9145      0.841762 38.5646      1.18828  37.2598      1.1926   6.20466  0.0957568 6.09856  0.0977771 
1 1 1 56 5  3  o 5.86003  0.072463  34.3746      0.849272 33.6245      1.2065   35.1114      1.19568  5.79264  0.104141  5.91969  0.100991  
1 1 1 56 5  4  o 13.03    0.10322   170.135      2.6899   172.893      3.74071  167.182      3.87081  13.1228  0.142527  12.9015  0.150015  
1 1 1 56 5  5  o 4.02118  0.0794652 16.1904      0.639088 16.0716      0.93008  16.2966      0.879642 4.00356  0.116157  4.03212  0.109079  
1 1 1 56 5  6  o 4.70985  0.0722934 22.2064      0.680983 22.7119      0.978687 21.732       0.948148 4.76059  0.102791  4.65685  0.101801  
1 1 1 56 5  7  o 2.46774  0.102796  6.1032       0.507346 5.9719       0.724638 6.22944      0.710559 2.43815  0.148604  2.49062  0.142647  
1 1 1 56 5  8  o 5.48432  0.0707442 30.1106      0.775969 30.1361      1.10764  30.086       1.08741  5.48359  0.100996  5.47924  0.0992303 
1 1 1 56 5  9  o 3.25176  0.0865548 10.5922      0.562911 10.4495      0.823593 10.7172      0.771146 3.22656  0.127627  3.26851  0.117966  
1 1 1 56 5  10 f 4.97613  0.0735425 24.7947      0.731915 24.0978      1.02667  25.5149      1.04371  4.90239  0.104711  5.04464  0.103447  
1 1 1 56 5  11 o 5.49098  0.0806174 30.2027      0.885337 31.3487      1.31109  29.2421      1.20034  5.5889   0.117294  5.39884  0.111166  
1 1 1 56 5  12 o 0.691104 0.267251  0.31995      0.526209 0.220265     0.737276 0.423453     0.751263 0.75163  0.307751  0.812806 0.31829   
1 1 1 56 5  13 o 3.97933  0.08884   15.8724      0.707047 15.8167      0.994761 15.9291      1.00515  3.96778  0.125355  3.98173  0.126221  
1 1 1 56 5  14 o 6.11668  0.083685  37.4968      1.02375  37.1391      1.47601  37.8285      1.42114  6.07985  0.121386  6.13732  0.115779  
1 1 1 56 5  15 o 2.14205  0.150189  4.62411      0.643422 5.59189      0.950402 3.80524      0.874236 2.34802  0.202384  1.93356  0.226069  
1 1 1 56 5  16 o 1.72072  0.178956  2.99495      0.615865 2.49923      0.864139 3.50665      0.877955 1.53399  0.292174  1.85388  0.236789  
1 1 1 56 5  17 o 3.9381   0.0966148 15.5626      0.760958 16.3252      1.08448  14.8229      1.06803  4.02678  0.134658  3.83615  0.139205  
1 1 1 56 5  18 o 2.56753  0.134724  6.63993      0.691816 6.08301      0.967589 7.2224       0.98953  2.44729  0.197686  2.66914  0.185365  
1 1 1 56 5  19 o 3.22586  0.11258   10.4653      0.726331 10.4246      1.02369  10.5066      1.03072  3.21042  0.159432  3.22292  0.159905  
1 1 1 56 5  20 o 2.88639  0.120868  8.39279      0.697745 9.39212      0.998744 7.44003      0.975199 3.04405  0.164049  2.70555  0.180222  
1 1 1 56 5  21 o 2.0049   0.172396  4.08686      0.691274 3.58342      0.992802 4.56062      0.963093 1.85582  0.267484  2.10463  0.228803  
1 1 1 56 5  22 o 2.01343  0.181136  4.13355      0.729411 2.63557      1.02651  5.6613       1.03666  1.54333  0.341638  2.34519  0.221018  
1 1 1 56 5  23 o 3.1127   0.132001  9.79935      0.821761 10.8542      1.16086  8.73976      1.16344  3.2608   0.178002  2.91845  0.199325  
1 1 1 56 5  24 o 4.12886  0.118804  17.2268      0.981049 19.2357      1.29866  14.5565      1.49726  4.35001  0.149271  3.76036  0.199085  
1 1 1 56 5  25 o 0.849444 0.33007   0.564947     0.804678 1.63878      1.16589  -0.411902    1.112    1.21421  0.407071  0.755631 0.342339  
1 1 1 56 5  26 o 2.79325  0.150361  7.95696      0.839989 9.44608      1.12727  6.09783      1.25956  3.02783  0.186151  2.39799  0.262628  
1 1 1 56 5  27 o 0.617425 0.285163  -0.51698     0.82727  0.804521     1.17678  -1.80821     1.16322  0.984067 0.394168  0.60605  0.295484  
1 1 1 56 5  28 o 1.94409  0.211879  3.9848       0.823825 3.81568      1.12105  4.18335      1.21471  1.85402  0.302329  1.9337   0.31409   
1 1 1 56 5  29 o 0.578114 0.270184  -0.559789    0.771243 -0.732418    1.0332   -0.342555    1.15902  0.659424 0.309217  0.754992 0.34425   
1 1 1 56 5  30 o 2.97584  0.150353  9.1775       0.894855 9.96261      1.24214  8.33037      1.29027  3.05571  0.203249  2.7669   0.233162  
1 1 1 56 5  31 o 0.661017 0.29643   -0.0799269   0.813278 -0.664197    1.12449  0.560887     1.17765  0.679549 0.31948   0.875518 0.375431  
1 1 1 56 5  32 o 2.07751  0.209539  4.75344      0.870639 5.36505      1.21998  4.11866      1.24288  2.12298  0.287327  1.76384  0.364706  
1 1 1 56 5  33 o 0.883995 0.351182  0.989533     0.92592  0.78627      1.35569  1.16725      1.26764  0.881095 0.389709  0.938499 0.395416  
1 1 1 56 5  34 o 0.733202 0.322081  0.488115     0.908166 -0.0212109   1.29671  0.978465     1.27232  0.724006 0.341164  0.852121 0.377133  
1 1 1 56 5  35 o 0.84976  0.362381  1.13584      1.08662  -0.465857    1.45492  3.15624      1.63406  0.688078 0.334299  1.13771  0.460833  
1 1 1 56 5  36 o 0.831572 0.367821  1.50823      1.20786  -0.332245    1.51063  4.77043      2.01117  0.649201 0.320268  1.0779   0.475977  
1 1 1 56 6  0  f 12.4049  0.136239  154.219      3.37912  154.219      3.37912  154.219      3.37912  12.4117  0.0962689 ?        ?         
1 1 1 56 6  1  o 5.64963  0.071249  31.9506      0.805061 31.9981      1.10411  31.8966      1.17638  5.65134  0.0976854 5.64163  0.104259  
1 1 1 56 6  2  o 4.22901  0.0757646 17.9051      0.640818 18.0036      0.883947 17.7959      0.93034  4.23847  0.104277  4.21341  0.110402  
1 1 1 56 6  3  o 5.16243  0.0738248 26.68        0.762231 26.1518      1.07545  27.2132      1.08049  5.1082   0.105267  5.211    0.103674  
1 1 1 56 6  4  o 5.35644  0.0705139 28.7206      0.755406 28.4262      1.09083  28.992       1.04713  5.32594  0.102407  5.37924  0.0973303 
1 1 1 56 6  5  f 7.74417  0.0739647 60.0404      1.14559  59.4773      1.60328  60.6279      1.63748  7.70353  0.104061  7.77748  0.105271  
1 1 1 56 6  6  o 3.01586  0.0880106 9.11042      0.530856 8.91679      0.762218 9.29282      0.739773 2.98096  0.127848  3.04367  0.121526  
1 1 1 56 6  7  o 4.40651  0.0730947 19.4403      0.644186 20.1075      0.930099 18.8253      0.893061 4.47882  0.103833  4.33374  0.103036  
1 1 1 56 6  8  o 7.61292  0.0747569 58.0317      1.13824  59.0538      1.68137  57.1671      1.5465   7.67398  0.10955   7.55172  0.102394  
1 1 1 56 6  9  o 4.19432  0.0790819 17.6194      0.66339  18.7936      0.979357 16.6239      0.901787 4.32836  0.113133  4.07111  0.110754  
1 1 1 56 6  10 o 2.49592  0.106863  6.24839      0.533443 6.2571       0.752577 6.2396       0.756242 2.49398  0.150878  2.4904   0.151831  
1 1 1 56 6  11 o 2.23947  0.124414  5.03704      0.557243 5.46142      0.801936 4.64082      0.774882 2.32736  0.172284  2.14453  0.180665  
1 1 1 56 6  12 o 0.875825 0.270159  0.784577     0.520122 0.488594     0.754242 1.05295      0.718208 0.832085 0.320334  1.01381  0.318423  
1 1 1 56 6  13 o 3.24652  0.0965016 10.5706      0.626589 10.2648      0.907253 10.8495      0.866419 3.19375  0.142036  3.28488  0.13188   
1 1 1 56 6  14 o 2.61172  0.116534  6.85224      0.608708 6.97088      0.906263 6.75473      0.821632 2.62698  0.172491  2.58792  0.158744  
1 1 1 56 6  15 o 2.41212  0.139479  5.85917      0.672883 6.56656      0.989801 5.25133      0.917506 2.54513  0.19445   2.27486  0.201662  
1 1 1 56 6  16 o 4.82925  0.100955  23.4072      0.975075 23.9408      1.34172  22.8098      1.41949  4.8762   0.137579  4.75677  0.149208  
1 1 1 56 6  17 o 4.11105  0.100825  16.9685      0.82899  18.3143      1.10215  15.2152      1.25798  4.2655   0.129194  3.8806   0.162085  
1 1 1 56 6  18 o 0.708228 0.285832  0.249682     0.625461 0.963393     0.88809  -0.452717    0.881024 1.00657  0.354273  0.669524 0.303897  
1 1 1 56 6  19 o 4.61836  0.0941563 21.4234      0.869696 22.449       1.24906  20.4583      1.21167  4.71765  0.132381  4.50298  0.134541  
1 1 1 56 6  20 o 2.13043  0.162678  4.60203      0.693151 4.87147      0.993318 4.3463       0.967711 2.17742  0.228095  2.0549   0.235464  
1 1 1 56 6  21 o 2.60011  0.139427  6.83682      0.725053 5.70671      1.04092  7.90189      1.01052  2.35566  0.220939  2.78449  0.181455  
1 1 1 56 6  22 o 2.03364  0.171832  4.21141      0.698888 4.87965      0.987884 3.54183      0.988871 2.17412  0.227192  1.84083  0.268593  
1 1 1 56 6  23 o 3.99357  0.113382  16.0904      0.905598 16.004       1.30474  16.1707      1.25795  3.96356  0.164592  3.98714  0.157752  
1 1 1 56 6  24 o 1.72873  0.219892  3.09751      0.76027  3.26754      1.06087  2.91799      1.0901   1.72007  0.320326  1.60976  0.348434  
1 1 1 56 6  25 o 1.93318  0.214652  3.87596      0.829922 2.86119      1.13686  5.03374      1.21434  1.58121  0.366369  2.17642  0.278976  
1 1 1 56 6  26 o 2.71916  0.160646  7.56337      0.873641 7.268        1.18396  7.91644      1.29445  2.63734  0.224462  2.74644  0.235658  
1 1 1 56 6  27 o 1.42704  0.289708  2.2862       0.798061 3.16141      1.11395  1.36329      1.1439   1.64733  0.348789  1.10731  0.40082   
1 1 1 56 6  28 o 0.969266 0.336139  1.03606      0.796991 1.22555      1.07979  0.809266     1.18127  1.05355  0.388625  0.968775 0.392058  
1 1 1 56 6  29 o 1.74443  0.232337  3.27793      0.810592 2.69709      1.0599   4.09632      1.25812  1.48543  0.360011  1.8485   0.352948  
1 1 1 56 6  30 o 0.928108 0.339523  0.978898     0.822672 0.949233     1.14518  1.01053      1.18259  0.956796 0.386512  0.974727 0.393179  
1 1 1 56 6  31 o 2.06277  0.20668   4.60798      0.852668 4.01762      1.16555  5.28768      1.25065  1.80319  0.335717  2.12787  0.293874  
1 1 1 56 6  32 o 0.964156 0.345553  1.22634      0.84834  1.39555      1.184    1.04783      1.21611  1.00269  0.397502  0.931267 0.389575  
1 1 1 56 6  33 o 1.14599  0.363037  1.9052       0.931498 1.94872      1.33838  1.86431      1.29726  1.0855   0.424881  1.07156  0.418532  
1 1 1 56 6  34 o 0.898256 0.358545  1.27773      0.969357 2.67557      1.31395  -0.391644    1.43591  1.1646   0.428789  0.70028  0.338349  
1 1 1 56 6  35 o 0.757058 0.342172  0.628129     1.10441  1.6094       1.43867  -0.779908    1.72335  0.906583 0.40116   0.697031 0.343434  
1 1 1 56 7  0  o 9.04092  0.116136  81.8926      2.09917  81.8926      2.09917  81.8926      2.09917  9.04521  0.0820664 ?        ?         
1 1 1 56 7  1  o 3.06789  0.0917296 9.42833      0.562832 9.02249      0.791101 9.8443       0.800919 2.99838  0.131921  3.1323   0.127848  
1 1 1 56 7  2  o 3.11148  0.0874789 9.69671      0.544377 9.86526      0.775602 9.53305      0.764255 3.13595  0.123663  3.08267  0.12396   
1 1 1 56 7  3  o 4.75907  0.0726887 22.6739      0.69186  21.8028      1.00367  23.4626      0.955017 4.66372  0.107604  4.8389   0.0986812 
1 1 1 56 7  4  o 3.94926  0.0755688 15.6157      0.596882 15.8403      0.857633 15.4047      0.831223 3.97509  0.107876  3.92021  0.106018  
1 1 1 56 7  5  o 4.33984  0.0737992 18.8568      0.640554 19.2602      0.920261 18.4776      0.892152 4.38338  0.104972  4.2935   0.103896  
1 1 1 56 7  6  o 4.21435  0.0735812 17.7826      0.620195 17.7047      0.87565  17.8611      0.878532 4.20254  0.104181  4.22106  0.104065  
1 1 1 56 7  7  o 4.07725  0.07414   16.6456      0.604574 16.8471      0.876101 16.4624      0.835348 4.09898  0.106868  4.05229  0.103071  
1 1 1 56 7  8  o 4.16838  0.0843633 17.4063      0.703316 17.0793      0.953382 17.7966      1.04176  4.12586  0.115537  4.21058  0.123707  
1 1 1 56 7  9  o 3.26259  0.09003   10.6675      0.587463 11.2255      0.84838  10.1535      0.814265 3.34334  0.126876  3.17957  0.128046  
1 1 1 56 7  10 o 5.13282  0.076948  26.3897      0.78992  27.3104      1.14047  25.5407      1.09514  5.21725  0.109298  5.0455   0.108526  
1 1 1 56 7  11 o 1.97424  0.13837   3.91959      0.546352 4.54238      0.805209 3.38824      0.74376  2.12013  0.189896  1.82969  0.203247  
1 1 1 56 7  12 o 2.53952  0.114115  6.47518      0.579597 6.20022      0.848678 6.71553      0.793453 2.47874  0.171191  2.58196  0.153653  
1 1 1 56 7  13 o 5.47355  0.0837793 30.0292      0.917141 30.6124      1.29224  29.4373      1.30188  5.52021  0.117046  5.41254  0.120266  
1 1 1 56 7  14 o 3.27568  0.102292  10.7706      0.670153 10.7348      0.972181 10.803       0.925052 3.26332  0.148956  3.27498  0.14123   
1 1 1 56 7  15 o 7.32782  0.094715  53.8693      1.38811  54.2463      1.95091  53.4829      1.97549  7.34182  0.132863  7.28905  0.135511  
1 1 1 56 7  16 o 2.34402  0.139693  5.53541      0.654886 5.27713      0.955506 5.76422      0.899341 2.27808  0.209718  2.38468  0.188566  
1 1 1 56 7  17 o 4.95035  0.0933476 24.5915      0.924207 24.796       1.25999  24.3533      1.35976  4.96344  0.126927  4.91597  0.1383    
1 1 1 56 7  18 o 1.47025  0.215664  2.2081       0.634158 1.51451      0.89024  2.92263      0.903579 1.18553  0.351021  1.68177  0.268639  
1 1 1 56 7  19 o 1.48723  0.217488  2.26486      0.646909 1.22554      0.897303 3.38973      0.933506 1.08573  0.357117  1.81091  0.257745  
1 1 1 56 7  20 o 2.38814  0.152726  5.77831      0.72946  6.49204      1.10247  5.22252      0.972868 2.51389  0.219275  2.25572  0.215644  
1 1 1 56 7  21 o 1.5991   0.216966  2.62905      0.6939   3.27572      1.00359  2.03675      0.960473 1.76771  0.283868  1.35274  0.351768  
1 1 1 56 7  22 o 1.94915  0.185228  3.88384      0.722074 4.00279      1.03071  3.7692       1.01188  1.95686  0.263359  1.89789  0.266581  
1 1 1 56 7  23 o 0.745427 0.303486  0.29455      0.712923 0.347284     1.00704  0.241567     1.00941  0.859009 0.356612  0.837068 0.352774  
1 1 1 56 7  24 o 1.60766  0.242015  2.70021      0.778157 3.4387       1.09015  1.93304      1.11111  1.76429  0.320795  1.2997   0.393656  
1 1 1 56 7  25 o 0.792371 0.324351  0.349957     0.818756 0.590581     1.13612  0.089958     1.18097  0.939016 0.382844  0.854867 0.371407  
1 1 1 56 7  26 o 1.82487  0.225719  3.49588      0.823814 3.8138       1.12794  3.13238      1.20608  1.87201  0.301265  1.6344   0.376476  
1 1 1 56 7  27 o 0.570014 0.267007  -0.612741    0.762927 -0.760375    1.04186  -0.442047    1.12028  0.665018 0.311602  0.736329 0.336703  
1 1 1 56 7  28 o 1.93257  0.215389  3.95829      0.83251  4.24249      1.15248  3.64817      1.20389  1.95259  0.295116  1.75118  0.356113  
1 1 1 56 7  29 o 1.2648   0.314284  1.90408      0.792508 1.97843      1.04159  1.80188      1.22128  1.24957  0.381676  1.18525  0.415616  
1 1 1 56 7  30 o 0.862975 0.328517  0.794207     0.786371 0.638055     1.08145  0.969403     1.1455   0.875321 0.36684   0.954671 0.38619   
1 1 1 56 7  31 o 1.994    0.222685  4.39039      0.888071 5.7263       1.21164  2.8396       1.30545  2.22572  0.272189  1.39422  0.427586  
1 1 1 56 7  32 o 2.05425  0.21701   4.74789      0.891586 3.19864      1.26356  6.28414      1.25824  1.4481   0.414865  2.28898  0.274847  
1 1 1 56 7  33 o 0.558603 0.270849  -0.952474    0.946665 -1.33322     1.29086  -0.509414    1.39249  0.623683 0.305604  0.716181 0.342925  
1 1 1 56 7  34 o 1.01986  0.383944  1.87863      1.06465  1.05069      1.36142  3.18206      1.70819  0.837035 0.379028  1.12138  0.464926  
1 1 1 56 7  35 o 0.710424 0.33098   0.400811     1.14599  -0.112561    1.4323   1.31411      1.9104   0.68869  0.333684  0.827752 0.397627  
1 1 1 56 8  0  o 0.362252 0.257067  -0.778665    0.720031 -0.778665    0.720031 -0.778665    0.720031 0.277246 0.200393  ?        ?         
1 1 1 56 8  1  o 1.42613  0.178174  2.04793      0.508198 1.99423      0.701289 2.10731      0.737477 1.37983  0.263554  1.41803  0.26976   
1 1 1 56 8  2  o 3.7393   0.0819283 14.003       0.612708 14.4753      0.893809 13.5843      0.84155  3.79889  0.117641  3.68043  0.114328  
1 1 1 56 8  3  o 3.23431  0.0870828 10.4785      0.563305 10.1732      0.866031 10.7023      0.741626 3.183    0.13604   3.26676  0.113511  
1 1 1 56 8  4  o 7.85173  0.0778402 61.7351      1.22236  65.0733      1.76381  58.6502      1.69557  8.05581  0.109474  7.64764  0.110856  
1 1 1 56 8  5  o 3.64572  0.0797963 13.3112      0.58183  14.5657      0.840433 12.1566      0.806292 3.81106  0.110262  3.48115  0.115808  
1 1 1 56 8  6  o 3.19566  0.0851451 10.2304      0.54419  9.84851      0.784182 10.5851      0.755804 3.13225  0.125179  3.24811  0.116345  
1 1 1 56 8  7  o 3.06492  0.0876894 9.41222      0.537521 8.56856      0.772255 10.2051      0.748635 2.9207   0.132204  3.18894  0.11738   
1 1 1 56 8  8  o 4.16806  0.0784643 17.4017      0.654088 17.1582      0.932754 17.6374      0.917476 4.13517  0.112783  4.19294  0.109407  
1 1 1 56 8  9  o 2.79722  0.0999079 7.84651      0.558928 7.29125      0.784623 8.41856      0.796396 2.69222  0.14572   2.8938   0.137604  
1 1 1 56 8  10 o 4.89959  0.0755992 24.0465      0.74081  23.9243      1.07146  24.1583      1.02539  4.88264  0.109721  4.90727  0.104477  
1 1 1 56 8  11 o 3.5921   0.0902014 12.9357      0.648026 12.5643      0.960586 13.2458      0.877881 3.5345   0.135887  3.63126  0.120878  
1 1 1 56 8  12 o 2.18195  0.129353  4.78697      0.564483 4.28391      0.821954 5.23602      0.776577 2.05619  0.199873  2.27729  0.170505  
1 1 1 56 8  13 o 3.12082  0.106238  9.77847      0.663097 10.6378      0.989615 9.0783       0.893288 3.24815  0.152335  3.0012   0.148822  
1 1 1 56 8  14 o 2.4113   0.13225   5.85086      0.637789 4.44511      0.857493 7.59146      0.954172 2.09251  0.204896  2.74027  0.174102  
1 1 1 56 8  15 o 1.09147  0.270461  1.27124      0.588148 1.25252      0.812679 1.29182      0.852265 1.09336  0.337785  1.11105  0.346453  
1 1 1 56 8  16 o 3.17295  0.109422  10.1155      0.694384 10.6895      0.948036 9.45131      1.01991  3.25574  0.145595  3.05738  0.166795  
1 1 1 56 8  17 o 3.21981  0.110772  10.4215      0.713328 8.9938       1.02116  11.782       0.996877 2.98022  0.171323  3.4169   0.145874  
1 1 1 56 8  18 o 4.20226  0.0974372 17.7429      0.818914 17.0119      1.11905  18.5858      1.20159  4.10561  0.136283  4.29023  0.140038  
1 1 1 56 8  19 o 2.80364  0.126478  7.92749      0.709195 7.87999      1.02573  7.97099      0.981631 2.78193  0.184356  2.80036  0.175269  
1 1 1 56 8  20 f 1.84366  0.190978  3.4712       0.704196 2.17401      0.970582 4.91305      1.02327  1.39943  0.347847  2.18184  0.234497  
1 1 1 56 8  21 o 1.61503  0.213551  2.68209      0.689782 2.05545      0.985256 3.2845       0.966027 1.35541  0.358056  1.77153  0.272654  
1 1 1 56 8  22 o 2.14952  0.175434  4.71815      0.754197 5.15217      1.0655   4.28234      1.0677   2.22646  0.239281  2.0215   0.264085  
1 1 1 56 8  23 o 3.18894  0.128386  10.2955      0.81883  10.1944      1.136    10.4048      1.18133  3.15463  0.180053  3.18472  0.185468  
1 1 1 56 8  24 o 2.92707  0.143575  8.70681      0.840509 7.83526      1.10911  9.88257      1.28821  2.75554  0.201252  3.09123  0.208365  
1 1 1 56 8  25 o 2.62195  0.157202  7.02451      0.824351 6.27269      1.13357  7.86839      1.20097  2.44719  0.231605  2.74767  0.218543  
1 1 1 56 8  26 o 0.862133 0.327991  0.673923     0.783447 3.12644      1.10197  -1.83269     1.11405  1.64318  0.346168  0.584471 0.285804  
1 1 1 56 8  27 o 0.581251 0.272426  -0.636706    0.798357 -0.605273    1.14171  -0.666782    1.1168   0.719088 0.333217  0.702429 0.327055  
1 1 1 56 8  28 o 2.26462  0.18122   5.35811      0.820788 7.12319      1.17597  3.68145      1.14614  2.57879  0.228008  1.7686   0.336161  
1 1 1 56 8  29 o 1.11359  0.334263  1.51344      0.803546 2.05203      1.05797  0.779174     1.2353   1.26025  0.384611  0.942287 0.39331   
1 1 1 56 8  30 o 0.640048 0.28911   -0.142274    0.787247 -0.297735    1.06726  0.0432692    1.16595  0.709438 0.32617   0.786126 0.353641  
1 1 1 56 8  31 f 1.18832  0.337878  1.85635      0.841186 0.434566     1.18983  3.27711      1.1894   0.83005  0.366373  1.53816  0.386736  
1 1 1 56 8  32 o 1.04366  0.355928  1.54228      0.891334 1.23059      1.26479  1.84981      1.25632  0.950604 0.397456  1.08071  0.414118  
1 1 1 56 8  33 o 1.50851  0.338814  3.24766      0.997131 2.67796      1.29467  4.07833      1.56333  1.19838  0.427144  1.43077  0.471375  
1 1 1 56 8  34 o 1.01009  0.387194  1.88242      1.0986   2.33862      1.42987  1.22509      1.71637  1.03634  0.427163  0.859375 0.402181  
1 1 1 56 8  35 o 0.93329  0.380929  1.97393      1.12603  0.338653     1.3952   5.0292       1.90706  0.688645 0.332864  1.15763  0.486239  
1 1 1 56 9  0  o 5.21225  0.097003  27.2256      1.01042  27.2256      1.01042  27.2256      1.01042  5.21504  0.0685279 ?        ?         
1 1 1 56 9  1  o 2.97189  0.102815  8.85399      0.611113 9.78749      0.81582  7.66051      0.922459 3.12227  0.130645  2.75876  0.167187  
1 1 1 56 9  2  o 5.991    0.0720182 35.9362      0.862922 37.6052      1.31117  34.6608      1.14612  6.12402  0.107052  5.88075  0.097447  
1 1 1 56 9  3  o 5.73172  0.0724501 32.8941      0.830527 32.6759      1.17523  33.1118      1.17386  5.70902  0.102928  5.74708  0.102126  
1 1 1 56 9  4  o 2.15792  0.11568   4.67196      0.499254 4.61437      0.69937  4.73182      0.712929 2.14109  0.163321  2.16807  0.164415  
1 1 1 56 9  5  o 4.55567  0.0747123 20.7836      0.680728 21.3319      0.983922 20.2802      0.942786 4.612    0.10667   4.49709  0.104822  
1 1 1 56 9  6  o 2.86828  0.0940811 8.24638      0.539702 8.50323      0.762461 7.98845      0.764049 2.90945  0.131032  2.81957  0.135491  
1 1 1 56 9  7  o 3.65509  0.0844847 13.3861      0.617599 14.8991      0.920686 12.1483      0.832753 3.85239  0.119495  3.4786   0.119696  
1 1 1 56 9  8  o 2.34758  0.112515  5.53112      0.528276 5.33898      0.746676 5.7237       0.747514 2.30204  0.162177  2.38412  0.15677   
1 1 1 56 9  9  o 2.36299  0.113378  5.60505      0.535822 5.94636      0.761657 5.27062      0.753937 2.42971  0.156738  2.28662  0.164858  
1 1 1 56 9  10 o 5.24641  0.0774598 27.5761      0.812773 27.4553      1.17734  27.686       1.12342  5.22947  0.112568  5.2524   0.106944  
1 1 1 56 9  11 o 2.09464  0.132724  4.41276      0.556018 4.03566      0.813394 4.74352      0.761797 1.99522  0.203835  2.16691  0.17578   
1 1 1 56 9  12 o 0.788893 0.282418  0.550436     0.56652  0.43777      0.841521 0.64382      0.766136 0.845776 0.335173  0.881063 0.326879  
1 1 1 56 9  13 o 5.82923  0.0863964 34.0711      1.00725  33.9186      1.39151  34.239       1.45988  5.80889  0.119774  5.8349   0.125099  
1 1 1 56 9  14 o 5.81272  0.0822439 33.8712      0.956121 34.1471      1.40162  33.6311      1.30759  5.82805  0.120248  5.78564  0.113003  
1 1 1 56 9  15 o 3.13768  0.103473  9.8867       0.649329 10.5953      0.92953  9.21139      0.907448 3.24189  0.143362  3.02159  0.150161  
1 1 1 56 9  16 o 2.32934  0.1344    5.46536      0.626126 5.34047      0.888928 5.58834      0.882064 2.29342  0.1938    2.3471   0.187905  
1 1 1 56 9  17 o 2.79684  0.120722  7.87824      0.675281 8.4689       0.968145 7.31863      0.942359 2.89046  0.167473  2.68524  0.17547   
1 1 1 56 9  18 o 2.50417  0.139172  6.33279      0.697021 6.66484      1.04656  6.06809      0.93442  2.55441  0.204853  2.44062  0.191431  
1 1 1 56 9  19 o 2.33646  0.149929  5.52898      0.700608 4.40268      0.974897 6.73193      1.00753  2.06559  0.235985  2.56645  0.196288  
1 1 1 56 9  20 o 5.00848  0.0967492 25.226       0.969133 25.2067      1.29802  25.2503      1.4568   4.99525  0.129925  4.99301  0.145884  
1 1 1 56 9  21 o 1.59867  0.225016  2.64005      0.719454 2.07334      1.01394  3.2147       1.02102  1.35737  0.365368  1.71818  0.308309  
1 1 1 56 9  22 o 1.1373   0.310661  1.43234      0.726411 1.252        0.990434 1.64227      1.06862  1.08929  0.375011  1.21303  0.389305  
1 1 1 56 9  23 o 3.49418  0.121276  12.3462      0.847517 11.7305      1.14033  13.1061      1.26675  3.38854  0.168263  3.57768  0.177035  
1 1 1 56 9  24 o 1.35585  0.300571  2.04774      0.793501 1.7382       1.04742  2.46467      1.21563  1.23126  0.384105  1.44537  0.404646  
1 1 1 56 9  25 o 4.26116  0.111024  18.3695      0.946178 17.9849      1.3049   18.796       1.37397  4.19312  0.1556    4.28365  0.160374  
1 1 1 56 9  26 o 0.901494 0.327733  0.824719     0.765492 0.433561     1.05867  1.25331      1.10817  0.868685 0.363445  1.07127  0.393845  
1 1 1 56 9  27 o 1.17287  0.325705  1.61271      0.79074  -0.212591    1.07207  3.7905       1.17102  0.74979  0.3381    1.80309  0.337224  
1 1 1 56 9  28 o 1.96989  0.205007  4.12085      0.807681 4.18571      1.15877  4.05957      1.12638  1.92172  0.301494  1.89579  0.297074  
1 1 1 56 9  29 o 1.32547  0.308527  2.11508      0.803311 1.40014      1.05601  3.09701      1.23758  1.05758  0.384887  1.5256   0.400505  
1 1 1 56 9  30 o 0.709431 0.304701  0.226921     0.777901 1.04091      1.06358  -0.709382    1.1407   0.953847 0.377185  0.676439 0.319111  
1 1 1 56 9  31 o 0.848763 0.333955  0.83582      0.829888 0.192146     1.14222  1.55553      1.2078   0.772322 0.348583  1.03655  0.404052  
1 1 1 56 9  32 o 0.978246 0.365997  1.36766      0.964494 1.34443      1.26258  1.40022      1.49458  0.965622 0.399991  0.976476 0.420932  
1 1 1 56 9  33 o 1.07098  0.374742  1.93308      0.992427 2.26458      1.29744  1.46561      1.54071  1.07547  0.418869  0.909475 0.407922  
1 1 1 56 9  34 o 0.65132  0.307979  -0.14169     1.07109  0.588316     1.36574  -1.30807     1.72633  0.775372 0.361272  0.668892 0.332467  
1 1 1 56 10 0  o 0.847308 0.381053  1.05568      0.686206 1.05568      0.686206 1.05568      0.686206 0.902737 0.302158  ?        ?         
1 1 1 56 10 1  o 3.25432  0.0950859 10.6149      0.61888  11.2784      0.85669  9.89083      0.895026 3.35141  0.12781   3.1369   0.142661  
1 1 1 56 10 2  o 7.81062  0.0788913 61.1034      1.23238  61.3633      1.7456   60.845       1.74011  7.82104  0.111597  7.78791  0.111719  
1 1 1 56 10 3  o 2.88152  0.0963037 8.32331      0.555002 8.42104      0.79073  8.22841      0.779181 2.89489  0.136573  2.86163  0.136143  
1 1 1 56 10 4  o 7.4662   0.0779312 55.8352      1.1637   54.9382      1.63463  56.757       1.65704  7.4      0.110448  7.52156  0.110153  
1 1 1 56 10 5  o 2.52633  0.107024  6.40254      0.540755 6.04848      0.754088 6.77736      0.775864 2.45143  0.153806  2.5954   0.149469  
1 1 1 56 10 6  o 6.24117  0.0771637 39.0178      0.963183 37.4067      1.38786  40.5148      1.33781  6.10503  0.113666  6.35524  0.105252  
1 1 1 56 10 7  o 5.28385  0.0739029 27.9635      0.780983 27.3745      1.1238   28.5136      1.08611  5.22333  0.107575  5.33181  0.101852  
1 1 1 56 10 8  o 7.02341  0.0763974 49.415       1.07314  48.5041      1.54535  50.2634      1.49139  6.95159  0.111151  7.07787  0.105356  
1 1 1 56 10 9  o 2.57049  0.10638   6.63084      0.5469   6.90061      0.772428 6.35965      0.774442 2.61794  0.147526  2.51244  0.154121  
1 1 1 56 10 10 o 3.7073   0.0885586 13.7795      0.656627 12.8178      0.930204 14.7347      0.927027 3.57012  0.130276  3.82925  0.121045  
1 1 1 56 10 11 o 1.71217  0.161773  2.9585       0.553966 3.65516      0.804524 2.3304       0.763906 1.89681  0.212073  1.48663  0.266591  
1 1 1 56 10 12 o 1.21056  0.246098  1.54892      0.575121 0.200232     0.869908 2.59615      0.766549 0.796799 0.331156  1.59466  0.240349  
1 1 1 56 10 13 o 1.7322   0.166702  3.03063      0.577523 3.49557      0.852326 2.63596      0.78527  1.85184  0.230129  1.60615  0.244457  
1 1 1 56 10 14 o 1.57245  0.180224  2.50395      0.566785 1.75228      0.833117 3.1516       0.773327 1.27349  0.325766  1.75874  0.219852  
1 1 1 56 10 15 o 2.16152  0.139638  4.70875      0.603661 4.41093      0.858163 5.00045      0.849317 2.08239  0.206053  2.21977  0.191307  
1 1 1 56 10 16 o 4.10898  0.09755   16.9577      0.801663 14.5642      1.11491  19.5199      1.15352  3.79751  0.146795  4.40077  0.131059  
1 1 1 56 10 17 o 1.17153  0.275268  1.47895      0.634749 2.0349       0.938416 1.01007      0.861809 1.36064  0.344368  1.011    0.349644  
1 1 1 56 10 18 o 1.76009  0.184657  3.1559       0.650026 2.93405      0.937456 3.36134      0.902113 1.6772   0.27947   1.80257  0.25023   
1 1 1 56 10 19 o 2.77195  0.132538  7.76285      0.734775 6.84153      1.06813  8.59049      1.01237  2.58341  0.206729  2.90517  0.174236  
1 1 1 56 10 20 o 4.13216  0.0991507 17.1797      0.819413 15.8367      1.12589  18.6923      1.19483  3.95427  0.142364  4.29728  0.139022  
1 1 1 56 10 21 o 2.40978  0.15824   5.90781      0.762649 5.57674      1.0842   6.23207      1.07298  2.31802  0.233863  2.45616  0.218427  
1 1 1 56 10 22 o 1.35151  0.273008  1.98826      0.712117 1.08415      0.999443 2.92056      1.01491  1.0408   0.374863  1.62272  0.324184  
1 1 1 56 10 23 o 0.780442 0.314461  0.372937     0.755283 -0.0743777   0.994907 0.981378     1.16034  0.768495 0.337351  1.03947  0.398079  
1 1 1 56 10 24 o 1.20835  0.316145  1.64563      0.772791 1.42585      1.04904  1.90642      1.14274  1.13523  0.386134  1.27984  0.401591  
1 1 1 56 10 25 o 0.534618 0.255116  -0.855074    0.754127 -0.902714    1.04347  -0.802984    1.09111  0.652384 0.307013  0.682591 0.319665  
1 1 1 56 10 26 o 1.84183  0.215124  3.58292      0.792441 3.67689      1.09471  3.47948      1.1486   1.82075  0.30062   1.72486  0.345144  
1 1 1 56 10 27 o 1.71787  0.232914  3.16373      0.800231 2.28834      1.09075  4.18415      1.17763  1.35798  0.38431   1.92914  0.305223  
1 1 1 56 10 28 o 0.958542 0.333501  1.059        0.78507  1.77369      1.07226  0.233189     1.1526   1.17959  0.390383  0.830162 0.363771  
1 1 1 56 10 29 o 1.74292  0.238277  3.35862      0.830595 4.70151      1.18454  2.0597       1.16498  2.0129   0.294238  1.2292   0.406912  
1 1 1 56 10 30 o 0.952397 0.342252  1.1304       0.8327   0.535705     1.11369  1.88437      1.25398  0.841698 0.363102  1.14248  0.41906   
1 1 1 56 10 31 o 1.32233  0.323265  2.30449      0.848927 2.3052       1.11865  2.30353      1.30358  1.23215  0.398604  1.18828  0.428104  
1 1 1 56 10 32 o 2.06333  0.252316  5.08954      1.04122  4.98621      1.39268  5.22052      1.56785  1.83775  0.390645  1.79399  0.439778  
1 1 1 56 10 33 o 0.493754 0.245715  -1.54026     0.957378 -2.07092     1.32878  -0.967407    1.38058  0.557113 0.278556  0.637452 0.313533  
1 1 1 56 10 34 o 1.13556  0.391586  2.46544      1.0803   2.03143      1.35467  3.2236       1.79045  0.951831 0.405223  1.04547  0.455785  
1 1 1 56 11 0  o 5.38209  0.110704  29.0525      1.1905   29.0525      1.1905   29.0525      1.1905   5.38609  0.0781841 ?        ?         
1 1 1 56 11 1  o 7.0775   0.0786956 50.1767      1.11394  50.1016      1.59953  50.2474      1.55222  7.06586  0.113187  7.07689  0.109668  
1 1 1 56 11 2  o 1.97239  0.12985   3.90859      0.51223  4.21588      0.681064 3.50839      0.777228 2.04546  0.166482  1.86192  0.208717  
1 1 1 56 11 3  o 3.19732  0.0864152 10.2444      0.552595 10.1723      0.741319 10.3344      0.828982 3.1834   0.116435  3.20726  0.129235  
1 1 1 56 11 4  o 6.85045  0.078401  47.011       1.07416  47.5916      1.54639  46.4696      1.4932   6.88638  0.112279  6.80526  0.109709  
1 1 1 56 11 5  o 3.96073  0.0798965 15.7166      0.632897 16.8824      0.941463 14.7553      0.854891 4.10101  0.114784  3.83438  0.111477  
1 1 1 56 11 6  o 2.57469  0.101996  6.64962      0.525215 6.55153      0.768804 6.73546      0.719207 2.55101  0.150686  2.58787  0.138957  
1 1 1 56 11 7  o 1.72796  0.140065  3.00384      0.484052 3.02517      0.699014 2.98419      0.670953 1.72845  0.202208  1.71742  0.195337  
1 1 1 56 11 8  o 1.64278  0.155331  2.71941      0.510347 2.08725      0.709447 3.39737      0.734694 1.4079   0.261738  1.83139  0.200584  
1 1 1 56 11 9  o 3.46087  0.0886206 12.009       0.613408 11.781       0.856824 12.2487      0.878565 3.42331  0.125146  3.49049  0.125851  
1 1 1 56 11 10 o 1.07745  0.245025  1.23127      0.516222 2.22537      0.737856 0.27817      0.722484 1.45259  0.2637    0.758138 0.306696  
1 1 1 56 11 11 o 3.78296  0.0939882 14.3562      0.711107 14.6002      1.03175  14.1354      0.981447 3.80839  0.135458  3.74809  0.130926  
1 1 1 56 11 12 o 2.67845  0.113716  7.20751      0.609168 7.58524      0.898662 6.88638      0.828585 2.74077  0.163943  2.61227  0.158595  
1 1 1 56 11 13 o 6.00802  0.0807018 36.1872      0.969716 36.8037      1.43819  35.6733      1.3131   6.05007  0.118858  5.95872  0.110183  
1 1 1 56 11 14 o 3.77382  0.0915514 14.2895      0.690997 14.1753      1.01006  14.3899      0.947386 3.75134  0.134626  3.78147  0.125267  
1 1 1 56 11 15 o 1.28707  0.241141  1.75035      0.597783 1.27877      0.862583 2.18612      0.829191 1.10336  0.349331  1.42538  0.300281  
1 1 1 56 11 16 o 1.27836  0.25532   1.74191      0.629689 1.19015      0.915855 2.23657      0.867166 1.07721  0.36079   1.4357   0.31078   
1 1 1 56 11 17 o 2.96398  0.11636   8.84809      0.689775 8.89127      0.991962 8.80765      0.95981  2.95986  0.167569  2.94711  0.162839  
1 1 1 56 11 18 o 1.85839  0.175769  3.51519      0.653296 3.10214      0.923533 3.92889      0.924267 1.7259   0.267551  1.95072  0.236904  
1 1 1 56 11 19 o 0.508695 0.240943  -0.745101    0.658026 -0.527253    0.974813 -0.92746     0.891885 0.691583 0.315438  0.598569 0.282315  
1 1 1 56 11 20 o 0.803593 0.307004  0.512665     0.688771 0.323213     0.960697 0.713046     0.988016 0.84294  0.349025  0.943807 0.365948  
1 1 1 56 11 21 o 0.767896 0.307993  0.366577     0.719848 0.659105     1.01251  0.0675953    1.02362  0.931967 0.36818   0.806862 0.348092  
1 1 1 56 11 22 o 1.46133  0.276733  2.32232      0.779406 2.5274       1.05663  2.07757      1.15434  1.49122  0.35823   1.34315  0.400124  
1 1 1 56 11 23 o 1.10602  0.31781   1.36833      0.740422 2.29349      1.02483  0.35808      1.07092  1.41115  0.361505  0.873424 0.365493  
1 1 1 56 11 24 o 2.87568  0.138792  8.41896      0.79824  7.34883      1.05788  9.83384      1.21641  2.66207  0.198696  3.08012  0.197461  
1 1 1 56 11 25 o 2.53497  0.163475  6.62043      0.82881  6.62197      1.12109  6.61857      1.23081  2.50292  0.223955  2.48754  0.247395  
1 1 1 56 11 26 o 0.754    0.309596  0.34711      0.748253 0.174781     1.00082  0.565522     1.12671  0.795054 0.34361   0.906413 0.376806  
1 1 1 56 11 27 o 0.808636 0.317868  0.571275     0.751207 1.23733      1.00118  -0.286739    1.13634  1.03644  0.375001  0.751754 0.34226   
1 1 1 56 11 28 o 1.0414   0.337037  1.32224      0.799713 0.693051     1.07291  2.10879      1.19959  0.892392 0.369134  1.2518   0.412912  
1 1 1 56 11 29 o 1.32669  0.313051  2.15324      0.818228 3.14191      1.12069  1.02457      1.19741  1.56236  0.3649    0.96616  0.393328  
1 1 1 56 11 30 o 2.30976  0.197358  5.83078      0.911701 5.77281      1.19935  5.91013      1.4032   2.21732  0.270449  2.1767   0.322322  
1 1 1 56 11 31 o 0.821604 0.335506  0.757732     0.873924 0.691744     1.17813  0.838466     1.30314  0.845651 0.369187  0.883313 0.386931  
1 1 1 56 11 32 o 1.18755  0.380375  2.30929      1.02052  2.29977      1.3842   2.32064      1.51055  1.08233  0.429568  1.06322  0.438781  
1 1 1 56 11 33 o 1.90208  0.280946  4.75756      1.06876  4.6892       1.40029  4.85295      1.65414  1.62494  0.42576   1.48824  0.484873  
1 1 1 56 11 34 o 1.18941  0.420524  3.2921       1.25258  4.46537      1.8609   2.32018      1.69371  1.09457  0.470735  0.871339 0.404567  
1 1 1 56 12 0  o 1.96358  0.188302  3.98004      0.723873 3.98004      0.723873 3.98004      0.723873 1.97981  0.130572  ?        ?         
1 1 1 56 12 1  o 2.05473  0.129321  4.24248      0.531437 3.7915       0.780964 4.63141      0.725254 1.93581  0.201715  2.14321  0.169198  
1 1 1 56 12 2  o 6.68988  0.0745747 44.8275      0.99779  45.9011      1.41631  43.7694      1.40593  6.76424  0.104691  6.60495  0.10643   
1 1 1 56 12 3  o 2.88321  0.0922997 8.3339       0.532239 8.42492      0.741376 8.23711      0.764557 2.89558  0.128018  2.86252  0.133546  
1 1 1 56 12 4  o 3.80185  0.0833705 14.4843      0.633924 14.9244      0.91017  14.0696      0.883434 3.85515  0.118046  3.74313  0.118008  
1 1 1 56 12 5  o 2.46335  0.102752  6.08781      0.506227 5.96231      0.684111 6.2397       0.752608 2.43439  0.14051   2.48919  0.151175  
1 1 1 56 12 6  o 1.05186  0.235726  1.16934      0.483544 1.62478      0.700634 0.755099     0.668188 1.23454  0.28864   0.893517 0.307982  
1 1 1 56 12 7  o 1.34797  0.18087   1.83638      0.487615 1.42564      0.676558 2.28037      0.703408 1.15561  0.292355  1.49651  0.235017  
1 1 1 56 12 8  o 4.75766  0.0786572 22.6831      0.748448 21.5893      1.04539  23.8334      1.07204  4.63628  0.11274   4.87179  0.110025  
1 1 1 56 12 9  o 2.16351  0.124881  4.70712      0.540364 3.67616      0.764096 5.73858      0.764285 1.90348  0.20071   2.38446  0.160264  
1 1 1 56 12 10 f 4.21549  0.088227  17.82        0.743839 18.8777      1.1485   17.0558      0.976257 4.33109  0.132588  4.11941  0.118495  
1 1 1 56 12 11 o 4.98505  0.086954  24.9186      0.86694  25.1764      1.23833  24.6707      1.21411  5.00366  0.123742  4.95341  0.122553  
1 1 1 56 12 12 o 2.66963  0.116688  7.16437      0.623028 7.28566      0.927433 7.06461      0.841072 2.68375  0.172787  2.64503  0.158991  
1 1 1 56 12 13 o 6.04599  0.0845477 36.6583      1.02235  36.9046      1.4309   36.4015      1.46121  6.05796  0.118101  6.01556  0.121453  
1 1 1 56 12 14 o 4.36441  0.0872014 19.1101      0.761164 20.3216      1.12799  18.0972      1.03138  4.4927   0.125536  4.24058  0.121609  
1 1 1 56 12 15 o 1.07755  0.276597  1.25045      0.599065 0.962474     0.861015 1.52066      0.834041 0.996016 0.348999  1.18324  0.336443  
1 1 1 56 12 16 f 1.17685  0.27689   1.49408      0.641569 2.41542      0.875657 0.426326     0.942677 1.49494  0.303442  0.868351 0.350721  
1 1 1 56 12 17 o 1.62979  0.202758  2.71837      0.660906 3.01499      0.953854 2.44449      0.916584 1.6985   0.280793  1.4959   0.316133  
1 1 1 56 12 18 o 4.57681  0.103551  21.081       0.947862 23.8438      1.31516  18.0948      1.36732  4.85649  0.135402  4.22084  0.161972  
1 1 1 56 12 19 o 1.59767  0.20702   2.62237      0.661499 2.28279      0.93199  2.96713      0.939052 1.43535  0.33116   1.68084  0.27934   
1 1 1 56 12 20 o 2.4476   0.156737  6.09504      0.767256 4.97638      1.11059  7.11644      1.06122  2.18134  0.254567  2.63007  0.201748  
1 1 1 56 12 21 o 1.6366   0.22313   2.77914      0.730348 2.5041       0.973193 3.13377      1.10506  1.49513  0.333966  1.67322  0.342036  
1 1 1 56 12 22 o 1.56011  0.248393  2.55293      0.77504  3.33138      1.03131  1.5428       1.1748   1.76654  0.291902  1.18593  0.408412  
1 1 1 56 12 23 o 2.59287  0.149042  6.8546       0.772892 8.38243      1.07788  5.23774      1.10884  2.85063  0.18906   2.22856  0.24878   
1 1 1 56 12 24 o 4.33328  0.115471  19.0377      1.00074  20.3484      1.3289   17.3208      1.52097  4.45996  0.148982  4.08924  0.185972  
1 1 1 56 12 25 o 1.56273  0.244779  2.61838      0.765045 2.99784      1.04146  2.1736       1.12753  1.60444  0.335435  1.33111  0.39523   
1 1 1 56 12 26 o 2.26612  0.171676  5.33396      0.778076 4.96269      1.04598  5.79393      1.16423  2.14527  0.243787  2.31242  0.251735  
1 1 1 56 12 27 o 1.02425  0.327215  1.24515      0.755566 0.476577     0.991274 2.31077      1.16722  0.838756 0.35135   1.33245  0.403452  
1 1 1 56 12 28 f 1.65083  0.249336  3.03631      0.823225 3.06478      1.08754  2.9981       1.2598   1.55722  0.356682  1.48465  0.410701  
1 1 1 56 12 29 o 0.687681 0.300932  0.127389     0.786606 0.974408     1.04028  -1.00349     1.20202  0.929373 0.371285  0.660081 0.316676  
1 1 1 56 12 30 o 0.667275 0.302137  -0.0161191   0.864946 -0.314592    1.19486  0.312476     1.2537   0.712478 0.333814  0.807042 0.364675  
1 1 1 56 12 31 o 0.931656 0.359821  1.20474      0.953252 1.68596      1.25621  0.551485     1.46364  1.03236  0.409387  0.850751 0.387627  
1 1 1 56 12 32 o 1.74884  0.287144  4.01922      1.00434  3.82618      1.36068  4.25027      1.48862  1.43615  0.435757  1.47138  0.45769   
1 1 1 56 12 33 o 1.22053  0.403065  2.75322      1.14306  5.01448      1.62212  0.522885     1.61099  1.5304   0.478118  0.782129 0.373143  
1 1 1 56 13 0  o 5.54829  0.110637  30.8781      1.22659  30.8781      1.22659  30.8781      1.22659  5.55255  0.0781367 ?        ?         
1 1 1 56 13 1  o 3.84855  0.0834698 14.8431      0.642476 13.6684      0.908871 16.0165      0.908326 3.68844  0.123205  3.99409  0.113709  
1 1 1 56 13 2  o 3.36344  0.0859608 11.3387      0.578249 10.7075      0.776206 12.1258      0.86681  3.26505  0.118866  3.4738   0.124764  
1 1 1 56 13 3  o 5.79933  0.0774084 33.6955      0.897834 34.5881      1.34864  32.985       1.20322  5.86893  0.114897  5.73329  0.104933  
1 1 1 56 13 4  f 5.73795  0.0769656 32.9862      0.883249 33.9306      1.28971  32.152       1.2121   5.81347  0.110925  5.65982  0.107079  
1 1 1 56 13 5  o 3.34109  0.0863776 11.1901      0.57719  11.587       0.805584 10.7713      0.827393 3.39607  0.118605  3.27332  0.126384  
1 1 1 56 13 6  o 3.39222  0.0861713 11.536       0.584623 11.7155      0.824356 11.3544      0.82923  3.4143   0.120721  3.3609   0.123364  
1 1 1 56 13 7  o 8.0489   0.0865609 64.956       1.39344  64.615       2.05326  65.2471      1.89722  8.01504  0.128088  8.05777  0.117726  
1 1 1 56 13 8  o 4.96077  0.079522  24.6654      0.78898  24.5326      1.16427  24.7781      1.0729   4.94062  0.117826  4.96726  0.107997  
1 1 1 56 13 9  o 4.965    0.0831711 24.7123      0.825888 24.1441      1.18796  25.2438      1.14898  4.90067  0.121204  5.01243  0.114613  
1 1 1 56 13 10 o 1.11082  0.247712  1.30975      0.536144 1.83103      0.76003  0.793402     0.756428 1.30728  0.29732   0.925547 0.326837  
1 1 1 56 13 11 f 4.17372  0.0861155 17.4701      0.718843 18.0719      1.04571  16.9308      0.989792 4.23859  0.123356  4.10312  0.120614  
1 1 1 56 13 12 o 3.18707  0.0964966 10.1952      0.615083 11.6004      0.935678 9.12587      0.816224 3.393    0.137884  3.00981  0.135594  
1 1 1 56 13 13 o 3.68305  0.0926066 13.6141      0.682149 13.3757      0.983657 13.835       0.946807 3.64314  0.135001  3.70666  0.127717  
1 1 1 56 13 14 o 3.21643  0.103239  10.4002      0.664122 9.74344      0.942469 11.0479      0.935984 3.10388  0.151821  3.30758  0.141491  
1 1 1 56 13 15 f 4.35353  0.0941275 19.0386      0.819574 19.7409      1.12494  18.2442      1.19647  4.42491  0.127114  4.24995  0.140763  
1 1 1 56 13 16 o 1.8589   0.169211  3.5107       0.629092 2.73298      0.89443  4.27209      0.884987 1.59365  0.291463  2.04019  0.216888  
1 1 1 56 13 17 o 3.3617   0.109281  11.3802      0.734736 10.1239      1.03278  12.6677      1.04549  3.15707  0.163566  3.53653  0.147812  
1 1 1 56 13 18 o 3.92972  0.105305  15.5492      0.827642 15.5058      1.13514  15.5985      1.2093   3.91194  0.145086  3.92029  0.154237  
1 1 1 56 13 19 o 1.12996  0.296039  1.40151      0.677035 0.862134     0.952822 1.95155      0.96219  0.974844 0.363964  1.31784  0.356459  
1 1 1 56 13 20 o 2.0595   0.184491  4.34951      0.759919 3.27727      1.00807  5.76085      1.15654  1.75719  0.286841  2.34763  0.24632   
1 1 1 56 13 21 o 1.38886  0.291813  2.12109      0.784852 1.71564      1.10301  2.53692      1.11702  1.2336   0.39548   1.4868   0.375362  
1 1 1 56 13 22 o 1.50533  0.243134  2.383        0.731992 2.35519      1.02166  2.41234      1.04928  1.43065  0.35766   1.44572  0.363088  
1 1 1 56 13 23 o 2.13824  0.185856  4.72172      0.794808 4.65165      1.08805  4.80189      1.16383  2.09085  0.260193  2.11696  0.274883  
1 1 1 56 13 24 o 3.50242  0.125087  12.4843      0.876213 12.6951      1.18568  12.2307      1.30059  3.50644  0.169071  3.42776  0.189714  
1 1 1 56 13 25 o 2.48228  0.158623  6.35495      0.787495 6.87192      1.0781   5.76359      1.15305  2.55137  0.211279  2.31279  0.249277  
1 1 1 56 13 26 o 1.62621  0.233536  2.84839      0.759559 3.20336      1.00884  2.38384      1.15412  1.65894  0.315442  1.37024  0.397778  
1 1 1 56 13 27 o 0.912734 0.326876  0.93949      0.758987 1.00271      0.999215 0.853262     1.16694  0.955194 0.368501  0.943748 0.386921  
1 1 1 56 13 28 o 0.779509 0.317607  0.506478     0.78141  0.843141     1.02887  0.0476025    1.20119  0.90765  0.366483  0.795022 0.358222  
1 1 1 56 13 29 o 0.901283 0.340859  0.982447     0.841989 1.87398      1.15784  -0.0181995   1.22664  1.13713  0.404079  0.770827 0.352414  
1 1 1 56 13 30 o 1.17879  0.360137  1.9786       0.927281 1.87852      1.26248  2.09584      1.36642  1.08828  0.415678  1.12441  0.431587  
1 1 1 56 13 31 o 0.6883   0.316334  0.0487223    1.00282  1.92906      1.31623  -2.55302     1.54827  1.04339  0.417311  0.59888  0.299626  
1 1 1 56 13 32 o 0.759548 0.342902  0.638375     1.10597  2.26383      1.60139  -0.843919    1.52925  0.987924 0.430871  0.667274 0.32869   
1 1 1 56 13 33 o 0.8947   0.385852  1.69284      1.25691  1.38869      2.41361  1.80602      1.4723   0.818535 0.404049  0.884718 0.397727  
1 1 1 56 14 0  o 5.50511  0.111216  30.4046      1.22339  30.4046      1.22339  30.4046      1.22339  5.50954  0.0785423 ?        ?         
1 1 1 56 14 1  o 3.5137   0.087853  12.3773      0.617378 11.8251      0.857901 12.9706      0.889144 3.42985  0.125064  3.59233  0.123756  
1 1 1 56 14 2  o 3.80898  0.0853004 14.5433      0.649815 15.0265      0.921173 14.0647      0.916798 3.86721  0.1191    3.74089  0.122538  
1 1 1 56 14 3  o 5.63187  0.0756423 31.779       0.852015 30.3544      1.1932   33.2611      1.21702  5.49848  0.108503  5.75631  0.105712  
1 1 1 56 14 4  o 3.57394  0.0859047 12.8055      0.614037 12.8448      0.820895 12.7556      0.925188 3.57579  0.114785  3.56108  0.129903  
1 1 1 56 14 5  o 1.42102  0.171774  2.04042      0.488191 2.10742      0.653801 1.956        0.733941 1.43851  0.22725   1.35606  0.280158  
1 1 1 56 14 6  o 3.28218  0.0863501 10.8017      0.566833 10.5342      0.776035 11.1076      0.829921 3.23722  0.119862  3.32342  0.12486   
1 1 1 56 14 7  o 4.22231  0.0798578 17.8687      0.674369 17.8681      0.932356 17.8695      0.976583 4.21774  0.110528  4.21701  0.115791  
1 1 1 56 14 8  f 4.93686  0.0816254 24.4306      0.805946 24.6814      1.12524  24.1664      1.1549   4.95652  0.113511  4.90367  0.117758  
1 1 1 56 14 9  o 1.07557  0.245838  1.22834      0.517519 1.73444      0.726031 0.705582     0.737878 1.27275  0.291369  0.891982 0.322014  
1 1 1 56 14 10 o 0.804665 0.267856  0.634968     0.5048   0.541062     0.7106   0.730635     0.717236 0.830086 0.313371  0.893885 0.317994  
1 1 1 56 14 11 f 1.58018  0.167032  2.52482      0.52788  2.93503      0.743132 2.107        0.749985 1.69689  0.21897   1.40771  0.276232  
1 1 1 56 14 12 o 1.66431  0.167547  2.80293      0.557698 2.65754      0.802497 2.93874      0.775599 1.60892  0.249389  1.6954   0.228736  
1 1 1 56 14 13 o 0.918539 0.274637  0.88807      0.543156 0.574028     0.776423 1.18906      0.760113 0.856342 0.326304  1.05901  0.326578  
1 1 1 56 14 14 o 3.19982  0.101782  10.2926      0.651366 10.4186      0.934699 10.1737      0.908212 3.21058  0.145566  3.1732   0.143107  
1 1 1 56 14 15 o 0.821678 0.289266  0.635539     0.592106 0.47902      0.844278 0.787035     0.830617 0.848376 0.335873  0.932642 0.34116   
1 1 1 56 14 16 o 1.23874  0.264657  1.65352      0.636483 1.50435      0.909409 1.79675      0.891114 1.17405  0.356245  1.27486  0.342238  
1 1 1 56 14 17 o 0.742103 0.289441  0.387367     0.619968 1.12436      0.910127 -0.250673    0.846825 1.04801  0.359614  0.683261 0.30454   
1 1 1 56 14 18 o 2.71309  0.12982   7.4425       0.704423 7.10749      1.01151  7.75797      0.98157  2.63409  0.192005  2.75659  0.178041  
1 1 1 56 14 19 o 3.15055  0.130047  10.0495      0.819442 10.7191      1.12495  9.29263      1.19605  3.23839  0.173689  3.00507  0.199005  
1 1 1 56 14 20 o 1.27924  0.293381  1.80484      0.735022 1.64427      1.01492  1.98195      1.06591  1.20963  0.378245  1.31653  0.382305  
1 1 1 56 14 21 o 3.99045  0.120534  16.1125      0.961971 14.2002      1.42335  17.7204      1.30518  3.71313  0.191665  4.16812  0.156567  
1 1 1 56 14 22 o 2.18926  0.176093  4.92416      0.771024 6.01334      1.06959  3.7459       1.11246  2.4      0.222831  1.86328  0.298522  
1 1 1 56 14 23 o 0.571631 0.26793   -0.649084    0.772572 -0.889753    1.04542  -0.359486    1.14677  0.654323 0.307743  0.762296 0.346194  
1 1 1 56 14 24 o 0.487337 0.236759  -1.12368     0.729611 -1.44426     0.975461 -0.716568    1.09925  0.562302 0.27336   0.690334 0.322603  
1 1 1 56 14 25 o 1.11857  0.312879  1.45957      0.727095 2.27191      0.997343 0.538048     1.06226  1.36958  0.359533  0.881749 0.366169  
1 1 1 56 14 26 o 0.813728 0.320852  0.590057     0.767564 2.1053       1.00494  -1.53165     1.18916  1.29531  0.369626  0.623787 0.302802  
1 1 1 56 14 27 o 0.719181 0.304556  0.276189     0.758311 0.346227     0.991613 0.17754      1.17685  0.798021 0.343422  0.813097 0.360921  
1 1 1 56 14 28 o 0.79605  0.317207  0.60054      0.757542 0.356895     0.990356 0.944135     1.17608  0.79155  0.341949  0.941598 0.387638  
1 1 1 56 14 29 o 0.788473 0.327836  0.585632     0.853123 -0.0107235   1.14496  1.32998      1.27916  0.743368 0.340117  0.987334 0.404997  
1 1 1 56 14 30 o 1.30294  0.354277  2.387        0.94738  2.07704      1.28856  2.75168      1.39768  1.12265  0.422441  1.26089  0.444374  
1 1 1 56 14 31 o 0.748505 0.33767   0.479082     1.07053  0.572957     1.54567  0.392534     1.48412  0.808642 0.379012  0.784473 0.368349  
1 1 1 56 14 32 o 0.786105 0.353621  0.739696     1.16573  3.15284      1.78911  -1.0406      1.53671  1.10161  0.467218  0.661045 0.325564  
1 1 1 56 14 33 o 0.565041 0.280496  -1.00933     1.20953  0.125357     2.04051  -1.62398     1.5018   0.70936  0.353804  0.574968 0.289322  
1 1 1 56 15 0  o 5.33494  0.120079  28.5777      1.27976  28.5777      1.27976  28.5777      1.27976  5.34036  0.0847733 ?        ?         
1 1 1 56 15 1  o 4.79911  0.0808661 23.0852      0.77617  22.8246      1.11988  23.3261      1.07673  4.76572  0.117494  4.81893  0.111719  
1 1 1 56 15 2  o 5.63958  0.0778833 31.8744      0.878458 32.3488      1.27338  31.4436      1.21344  5.67468  0.112198  5.59556  0.108429  
1 1 1 56 15 3  o 6.64335  0.0779464 44.2309      1.03565  42.3238      1.38516  46.6486      1.55957  6.49228  0.106677  6.8138   0.114442  
1 1 1 56 15 4  o 2.20065  0.121015  4.86842      0.532626 4.81651      0.713803 4.93364      0.800045 2.18411  0.163408  2.20808  0.181163  
1 1 1 56 15 5  o 4.6708   0.0788068 21.865       0.736181 22.1661      1.02119  21.5392      1.06225  4.69806  0.108683  4.63002  0.114714  
1 1 1 56 15 6  o 4.54084  0.0794468 20.6658      0.721511 21.922       1.01546  19.385       1.02535  4.67214  0.108672  4.39205  0.116728  
1 1 1 56 15 7  o 3.48064  0.0847865 12.1468      0.590223 11.391       0.775327 13.1883      0.910205 3.36683  0.115142  3.62103  0.125683  
1 1 1 56 15 8  o 6.32213  0.0785007 40.0634      0.992583 42.3656      1.46041  38.0869      1.35317  6.49316  0.112457  6.15722  0.109884  
1 1 1 56 15 9  o 2.38201  0.110231  5.70131      0.525145 7.16454      0.718298 4.02119      0.769696 2.66708  0.13466   1.99058  0.193335  
1 1 1 56 15 10 f 3.41834  0.0837784 11.718       0.572766 11.4131      0.78175  12.0713      0.841583 3.36916  0.116016  3.46404  0.121474  
1 1 1 56 15 11 o 1.42431  0.203149  2.06486      0.578692 2.56094      0.742783 1.29874      0.923074 1.58143  0.234846  1.1174   0.362146  
1 1 1 56 15 12 o 0.855003 0.269543  0.75331      0.514    0.780708     0.774528 0.731747     0.68711  0.92015  0.330139  0.882393 0.311512  
1 1 1 56 15 13 o 1.80837  0.150219  3.3076       0.543304 2.32763      0.808487 4.11454      0.733649 1.4735   0.284497  2.01156  0.182358  
1 1 1 56 15 14 o 1.53991  0.181403  2.41369      0.558691 1.29259      0.80718  3.44472      0.774075 1.09721  0.336168  1.83388  0.211049  
1 1 1 56 15 15 o 3.35739  0.103434  11.3418      0.694535 10.5547      1.01363  12.0384      0.953559 3.22579  0.157114  3.45058  0.138174  
1 1 1 56 15 16 o 1.62232  0.188976  2.68876      0.613159 3.26645      0.896899 2.18186      0.840155 1.77318  0.252907  1.41263  0.306001  
1 1 1 56 15 17 o 2.43432  0.142417  6.00344      0.693376 6.24735      0.965564 5.74374      0.996321 2.469    0.195538  2.36274  0.21084   
1 1 1 56 15 18 o 1.68779  0.217388  2.94424      0.73381  2.97868      1.00861  2.9055       1.06961  1.64513  0.317888  1.61296  0.341972  
1 1 1 56 15 19 o 0.931652 0.322374  0.878784     0.732704 1.78457      1.03086  -0.0460231   1.04163  1.25514  0.378976  0.791715 0.346377  
1 1 1 56 15 20 o 0.902936 0.316396  0.812124     0.707664 1.23877      1.03822  0.441901     0.967137 1.08818  0.383043  0.865859 0.353156  
1 1 1 56 15 21 o 2.1936   0.16992   4.9337       0.745473 5.93849      1.03564  3.85329      1.07391  2.38825  0.216821  1.8976   0.282966  
1 1 1 56 15 22 o 0.967894 0.324651  1.00932      0.741569 1.05329      1.07423  0.969285     1.02497  1.02834  0.385957  0.998237 0.376504  
1 1 1 56 15 23 o 1.43842  0.26966   2.29707      0.747121 2.39914      1.0076   2.17241      1.11349  1.42356  0.354769  1.33687  0.391562  
1 1 1 56 15 24 o 1.21931  0.313866  1.72882      0.769771 1.79053      1.01747  1.64622      1.17715  1.21567  0.378438  1.17065  0.408271  
1 1 1 56 15 25 o 1.02436  0.32011   1.22633      0.727063 1.16929      0.974643 1.2979       1.09174  1.01615  0.369767  1.06015  0.390802  
1 1 1 56 15 26 o 1.06285  0.32757   1.37007      0.764889 1.52836      0.994084 1.14036      1.19754  1.10281  0.375883  1.00998  0.399965  
1 1 1 56 15 27 o 1.15259  0.315211  1.63521      0.747301 1.39074      0.982938 1.97008      1.1504   1.04759  0.372306  1.20272  0.404357  
1 1 1 56 15 28 o 0.814613 0.322984  0.691396     0.781786 1.42392      1.04842  -0.226044    1.17331  1.02896  0.382259  0.732572 0.338826  
1 1 1 56 15 29 o 0.889946 0.346095  1.0125       0.885086 -0.140774    1.14388  2.73305      1.39717  0.717615 0.332918  1.27029  0.444624  
1 1 1 56 15 30 f 1.43624  0.34659   2.89572      0.985619 3.62512      1.48638  2.32331      1.31674  1.41611  0.459608  1.15025  0.428176  
1 1 1 56 15 31 o 0.845177 0.359905  1.10395      1.06908  0.563245     1.57561  1.56527      1.45536  0.79308  0.374402  0.910552 0.403126  
1 1 1 56 15 32 o 1.08799  0.410545  2.43477      1.21917  2.13682      1.90455  2.64163      1.58691  0.921211 0.428218  1.02671  0.437887  
1 1 1 56 16 0  o 0.586666 0.35911   0.34013      0.787077 0.34013      0.787077 0.34013      0.787077 0.529192 0.312596  ?        ?         
1 1 1 56 16 1  o 1.20071  0.226498  1.51403      0.524025 2.16687      0.711419 0.739699     0.774799 1.43425  0.257347  0.913407 0.32995   
1 1 1 56 16 2  o 4.6453   0.0775456 21.6253      0.720446 23.6575      1.00552  19.4816      1.03275  4.85449  0.103566  4.40287  0.117282  
1 1 1 56 16 3  o 3.46366  0.0894922 12.0313      0.619942 12.0606      0.814983 11.9911      0.955042 3.46419  0.11763   3.4509   0.138376  
1 1 1 56 16 4  o 2.82936  0.0984592 8.0332       0.557153 8.06255      0.748056 7.99663      0.834953 2.8305   0.132142  2.81661  0.148219  
1 1 1 56 16 5  o 4.0541   0.0815355 16.476       0.661106 16.1192      0.907301 16.8799      0.96528  4.00533  0.113262  4.09796  0.117776  
1 1 1 56 16 6  o 5.0284   0.0759538 25.3403      0.763852 25.9631      1.06372  24.6773      1.09757  5.08478  0.104599  4.95602  0.110731  
1 1 1 56 16 7  o 5.91043  0.0810236 35.0237      0.957768 36.0585      1.38156  34.0662      1.32895  5.98917  0.115338  5.82167  0.114138  
1 1 1 56 16 8  o 3.20474  0.0920259 10.305       0.589837 10.1614      0.843243 10.4426      0.825356 3.1765   0.132732  3.22091  0.128125  
1 1 1 56 16 9  o 5.16362  0.0867528 26.7439      0.895917 26.0398      1.27596  27.4287      1.25826  5.08661  0.125424  5.22178  0.120482  
1 1 1 56 16 10 o 3.71677  0.101077  13.8776      0.751357 13.5679      1.08949  14.1585      1.03757  3.66533  0.14862   3.74669  0.138465  
1 1 1 56 16 11 o 1.77245  0.182128  3.19348      0.645626 3.32494      0.936429 3.07438      0.891345 1.79347  0.261066  1.72516  0.258337  
1 1 1 56 16 12 o 3.18611  0.119204  10.2245      0.759592 10.2458      1.11882  10.2064      1.03457  3.17599  0.176137  3.17341  0.163006  
1 1 1 56 16 13 o 2.61857  0.139205  6.929        0.729034 7.72782      1.05374  6.19559      1.00969  2.75258  0.19141   2.46106  0.205132  
1 1 1 56 16 14 o 2.71723  0.124384  7.44921      0.675962 7.20309      0.869987 7.82412      1.07376  2.66338  0.163324  2.76719  0.194017  
1 1 1 56 16 15 o 2.16448  0.135019  4.73627      0.584494 4.8894       0.84896  4.59827      0.805918 2.1865   0.194137  2.12141  0.189949  
1 1 1 56 16 16 o 2.82894  0.117884  8.07365      0.666973 7.86658      0.918522 8.3046       0.970073 2.78051  0.165172  2.85546  0.169863  
1 1 1 56 16 17 o 0.872008 0.306638  0.739745     0.665186 1.35561      0.949136 0.145262     0.932515 1.12027  0.367287  0.792732 0.336809  
1 1 1 56 16 18 o 4.2953   0.107328  18.6088      0.922011 19.6205      1.34991  17.7241      1.26233  4.3909   0.153717  4.17448  0.151196  
1 1 1 56 16 19 o 2.24803  0.159176  5.15165      0.715662 5.00029      1.02877  5.29358      0.99621  2.19031  0.234846  2.25907  0.220491  
1 1 1 56 16 20 o 3.68694  0.116059  13.7504      0.855808 13.79        1.14171  13.6996      1.29294  3.67583  0.1553    3.65277  0.17698   
1 1 1 56 16 21 o 2.31252  0.167127  5.48347      0.772968 6.20317      1.07506  4.71323      1.11217  2.43726  0.220547  2.10519  0.264149  
1 1 1 56 16 22 o 2.83939  0.140787  8.23506      0.799498 7.50672      1.13721  8.94687      1.12423  2.67521  0.212545  2.9334   0.191626  
1 1 1 56 16 23 o 1.18762  0.307151  1.62878      0.734825 2.50167      0.981038 0.513127     1.1091   1.45709  0.342118  0.893712 0.372834  
1 1 1 56 16 24 o 1.16093  0.317125  1.58043      0.756941 1.47255      0.992658 1.7303       1.17003  1.11197  0.375613  1.18662  0.407686  
1 1 1 56 16 25 o 2.0351   0.195682  4.38641      0.796462 4.33066      1.04317  4.46435      1.23329  1.9775   0.263759  1.96903  0.313172  
1 1 1 56 16 26 o 1.85405  0.210298  3.71474      0.779803 3.40618      1.00744  4.17593      1.23167  1.68869  0.309857  1.83627  0.348     
1 1 1 56 16 27 o 1.2065   0.310963  1.79265      0.754885 3.23922      1.0073   -0.0605658   1.14013  1.6261   0.321161  0.75952  0.345002  
1 1 1 56 16 28 o 1.75585  0.246904  3.55147      0.86705  4.43336      1.17021  2.47799      1.29107  1.89288  0.309107  1.25587  0.428368  
1 1 1 56 16 29 o 1.25384  0.356532  2.22346      0.936598 1.87657      1.35564  2.54026      1.29551  1.0729   0.425338  1.23903  0.428669  
1 1 1 56 16 30 o 0.575201 0.279054  -0.826068    1.00738  -0.259879    1.41817  -1.40272     1.43122  0.71739  0.344122  0.630772 0.311311  
1 1 1 56 16 31 o 0.643481 0.31005   -0.436674    1.1836   0.0761816    1.8801   -0.773365    1.52335  0.77316  0.376725  0.674897 0.33111   
1 1 1 56 16 32 o 0.747887 0.341792  0.901273     1.15254  0.903138     1.72085  0.899756     1.55207  0.750266 0.364216  0.748185 0.359161  
1 1 1 56 17 0  o 4.30545  0.110949  18.6161      0.953941 18.6161      0.953941 18.6161      0.953941 4.31004  0.0783102 ?        ?         
1 1 1 56 17 1  o 2.16982  0.127149  4.73649      0.551784 4.75211      0.736519 4.71652      0.833046 2.16824  0.169843  2.15673  0.193127  
1 1 1 56 17 2  o 1.29352  0.204424  1.69947      0.528854 0.883217     0.707946 2.73015      0.795512 0.945909 0.317206  1.63413  0.243406  
1 1 1 56 17 3  o 2.39859  0.115682  5.78257      0.554946 5.74454      0.711886 5.84148      0.886002 2.38664  0.14914   2.40133  0.184482  
1 1 1 56 17 4  o 2.11163  0.125631  4.48639      0.530573 4.67061      0.681529 4.20296      0.845347 2.15067  0.158446  2.03306  0.2079    
1 1 1 56 17 5  o 0.650097 0.254417  0.269389     0.479846 0.534791     0.635433 -0.0827781   0.731969 0.803712 0.297791  0.67224  0.292236  
1 1 1 56 17 6  o 1.5808   0.147117  2.5205       0.465125 2.68604      0.615165 2.29955      0.710702 1.62731  0.189013  1.49965  0.236957  
1 1 1 56 17 7  o 1.50177  0.175343  2.2832       0.526649 3.17707      0.678346 0.926911     0.835586 1.76927  0.191702  0.984782 0.343926  
1 1 1 56 17 8  o 3.687    0.0995976 13.6513      0.734432 12.8847      1.05719  14.3664      1.02104  3.5728   0.14795   3.77553  0.135218  
1 1 1 56 17 9  o 3.95014  0.0974654 15.6735      0.770004 16.4588      1.12764  14.9875      1.05399  4.03847  0.139612  3.85446  0.136723  
1 1 1 56 17 10 o 2.01576  0.167414  4.12028      0.674931 3.58433      0.964302 4.63497      0.944985 1.8624   0.258887  2.12692  0.222149  
1 1 1 56 17 11 o 1.9965   0.166921  4.04257      0.666515 4.0843       0.981211 4.00682      0.908204 1.99036  0.246491  1.97526  0.229895  
1 1 1 56 17 12 o 2.10574  0.175451  4.50878      0.738909 3.23388      1.08886  5.59704      1.006    1.72401  0.327623  2.33627  0.215301  
1 1 1 56 17 13 o 3.66184  0.112365  13.5067      0.822924 13.1433      1.15002  13.8881      1.17807  3.59888  0.159774  3.69963  0.159215  
1 1 1 56 17 14 o 1.19039  0.307892  1.5524       0.738339 2.29809      1.03206  0.770656     1.05671  1.4341   0.360054  0.979278 0.378714  
1 1 1 56 17 15 o 1.28712  0.315203  1.82602      0.80604  0.795302     1.07992  3.1225       1.21116  0.988376 0.382722  1.66647  0.372796  
1 1 1 56 17 16 o 1.79668  0.161464  3.28525      0.580198 4.17352      0.828434 2.43011      0.812837 2.01416  0.205652  1.49792  0.281675  
1 1 1 56 17 17 o 2.42425  0.135558  5.9575       0.657254 5.35947      0.980672 6.44518      0.88558  2.27613  0.215425  2.50987  0.176419  
1 1 1 56 17 18 o 1.29857  0.259073  1.82622      0.649022 1.27988      0.946179 2.31172      0.891934 1.09111  0.366714  1.44118  0.317977  
1 1 1 56 17 19 o 0.772839 0.301137  0.45049      0.670751 -0.311844    0.962034 1.17164      0.935685 0.712792 0.320909  1.05278  0.3643    
1 1 1 56 17 20 o 1.99783  0.178203  4.10313      0.712038 3.7423       0.987686 4.49359      1.02744  1.87798  0.262965  2.06408  0.248886  
1 1 1 56 17 21 o 1.18272  0.302217  1.58502      0.7176   1.62516      0.982466 1.53912      1.05064  1.1827   0.372614  1.15739  0.386428  
1 1 1 56 17 22 o 3.43882  0.129893  12.0596      0.893357 11.6633      1.21559  12.525       1.31733  3.35112  0.18137   3.46643  0.190013  
1 1 1 56 17 23 o 0.818178 0.317681  0.586232     0.745111 1.01487      1.00083  0.0532089    1.11606  0.986541 0.372058  0.807015 0.355697  
1 1 1 56 17 24 o 1.03932  0.330766  1.27305      0.772595 1.69663      1.00723  0.667609     1.2042   1.17201  0.37814   0.930137 0.388288  
1 1 1 56 17 25 o 3.68012  0.133907  13.9527      0.985585 13.7175      1.27833  14.2973      1.54761  3.60887  0.17711   3.64428  0.212333  
1 1 1 56 17 26 o 1.35827  0.286133  2.18497      0.752917 2.3601       0.976791 1.92858      1.18184  1.35731  0.355577  1.18754  0.40957   
1 1 1 56 17 27 o 0.941399 0.350851  1.10537      0.88462  0.452439     1.31331  1.64765      1.19687  0.857147 0.380773  1.08066  0.407038  
1 1 1 56 17 28 o 0.9712   0.355757  1.29974      0.903483 1.10002      1.30987  1.48098      1.24782  0.931753 0.397624  1.00405  0.404344  
1 1 1 56 17 29 o 0.879438 0.349359  1.02263      0.916305 1.61257      1.33129  0.491564     1.2631   1.00415  0.412743  0.811883 0.366495  
1 1 1 56 17 30 o 0.596131 0.286952  -0.555688    1.00767  1.65402      1.46225  -2.55406     1.39057  0.929139 0.408418  0.548347 0.276413  
1 1 1 56 17 31 o 0.894169 0.38833   1.49359      1.29009  -0.131073    1.903    2.87525      1.75492  0.752515 0.369475  1.04273  0.452884  
1 1 1 56 18 0  o 0.972176 0.390553  1.33939      0.735329 1.33939      0.735329 1.33939      0.735329 1.05246  0.286259  ?        ?         
1 1 1 56 18 1  o 1.67861  0.160892  2.84668      0.540151 2.57917      0.733946 3.16279      0.797822 1.58921  0.230915  1.76053  0.226586  
1 1 1 56 18 2  o 3.36836  0.0891676 11.3817      0.600697 10.6812      0.837434 12.1242      0.862132 3.25748  0.12854   3.47132  0.124179  
1 1 1 56 18 3  o 4.47515  0.0824012 20.0812      0.737516 20.2286      1.00337  19.908       1.08774  4.48638  0.111824  4.44851  0.122259  
1 1 1 56 18 4  o 5.44167  0.080068  29.6879      0.871407 30.8054      1.22227  28.5327      1.2427   5.53664  0.11038   5.32697  0.116642  
1 1 1 56 18 5  o 7.42988  0.0865187 55.3698      1.28565  54.0819      1.81041  56.6801      1.82605  7.33127  0.123472  7.50599  0.121639  
1 1 1 56 18 6  o 1.33443  0.176894  1.80442      0.472107 1.66333      0.613243 2.00972      0.739721 1.25132  0.253883  1.37183  0.279304  
1 1 1 56 18 7  o 1.96511  0.16702   3.91124      0.656428 3.70505      0.922382 4.12283      0.934393 1.89926  0.242826  2.0056   0.232946  
1 1 1 56 18 8  o 1.22393  0.277526  1.61312      0.663827 1.03663      0.915126 2.25336      0.964397 1.02928  0.35988   1.43357  0.340888  
1 1 1 56 18 9  o 3.95682  0.103136  15.7404      0.816179 15.6721      1.11722  15.8185      1.19522  3.93892  0.141818  3.95459  0.151118  
1 1 1 56 18 10 o 1.8471   0.194093  3.47854      0.717018 3.91712      0.979868 2.973        1.052    1.94734  0.251591  1.65289  0.329911  
1 1 1 56 18 11 o 1.29233  0.286103  1.80906      0.71984  2.47737      0.998417 1.0856       1.0388   1.49924  0.340632  1.06204  0.382206  
1 1 1 56 18 12 o 4.71471  0.108471  22.38        1.02282  21.4673      1.49769  23.1777      1.40019  4.598    0.162863  4.78467  0.14632   
1 1 1 56 18 13 o 3.92953  0.111987  15.5574      0.880111 14.9678      1.26055  16.1182      1.22937  3.83778  0.164228  3.98632  0.154199  
1 1 1 56 18 14 o 2.43211  0.163981  6.01527      0.797641 6.10853      1.15832  5.93116      1.10001  2.428    0.238533  2.39557  0.229592  
1 1 1 56 18 15 o 0.969248 0.321758  0.976694     0.728411 0.564293     1.06954  1.33345      0.994775 0.929086 0.374268  1.11892  0.376014  
1 1 1 56 18 16 o 1.81135  0.214185  3.39289      0.775926 3.14651      1.0972   3.63939      1.09745  1.67983  0.338458  1.84837  0.29687   
1 1 1 56 18 17 o 0.994389 0.284821  1.07878      0.595622 0.590053     1.05589  1.30688      0.721345 0.925866 0.372326  1.08794  0.31404   
1 1 1 56 18 18 o 0.748173 0.296672  0.377637     0.659663 1.61886      1.11413  -0.292375    0.818568 1.20361  0.397933  0.657763 0.296082  
1 1 1 56 18 19 f 2.83549  0.123515  8.14769      0.700451 9.65716      1.00148  6.70217      0.980037 3.07202  0.163001  2.54787  0.192325  
1 1 1 56 18 20 o 1.58117  0.217917  2.61517      0.689127 3.45973      0.958511 1.71152      0.99147  1.79942  0.266339  1.21458  0.372663  
1 1 1 56 18 21 o 0.699377 0.295059  0.173439     0.707383 1.06125      0.93853  -0.994267    1.07636  0.999803 0.362946  0.651008 0.308258  
1 1 1 56 18 22 o 1.53696  0.241658  2.53275      0.742834 1.85862      0.964431 3.51601      1.16474  1.24372  0.364454  1.72888  0.349074  
1 1 1 56 18 23 o 0.997536 0.32152   1.14454      0.728314 0.951528     0.944817 1.42717      1.14332  0.955822 0.361195  1.10227  0.400549  
1 1 1 56 18 24 o 1.9673   0.198278  4.10947      0.780148 4.11739      0.98926  4.09644      1.26877  1.93166  0.256065  1.82895  0.359674  
1 1 1 56 18 25 o 0.917479 0.330826  0.97273      0.778615 -0.0884719   1.02821  2.39929      1.19214  0.730915 0.330267  1.32458  0.409093  
1 1 1 56 18 26 o 1.73206  0.249979  3.37457      0.865959 4.41971      1.24731  2.40207      1.20318  1.87809  0.344961  1.30542  0.4125    
1 1 1 56 18 27 o 1.94881  0.242753  4.35639      0.94616  6.21821      1.37288  2.67214      1.30578  2.24642  0.305572  1.30351  0.430801  
1 1 1 56 18 28 o 0.739213 0.323203  0.358474     0.905722 1.80996      1.33714  -0.872092    1.23118  1.06139  0.421905  0.655102 0.315789  
1 1 1 56 18 29 o 0.808125 0.342436  0.840312     0.959666 0.35269      1.47327  1.1997       1.2648   0.786107 0.368733  0.886864 0.384821  
1 1 1 56 18 30 o 0.563676 0.279475  -1.41072     1.18709  -0.432061    1.86489  -2.07739     1.5392   0.736972 0.363023  0.598352 0.299176  
1 1 1 56 18 31 o 0.55496  0.274969  -1.10624     1.14435  0.980799     1.65568  -3.01516     1.58345  0.774883 0.37173   0.54059  0.275328  
1 1 1 56 19 0  o 0.760237 0.394507  0.878162     0.767982 0.878162     0.767982 0.878162     0.767982 0.775625 0.338981  ?        ?         
1 1 1 56 19 1  o 4.19304  0.0830361 17.6313      0.696347 17.3336      0.98308  17.9311      0.986497 4.15131  0.118406  4.22258  0.116812  
1 1 1 56 19 2  o 1.47481  0.176425  2.20332      0.520386 1.58276      0.72559  2.86057      0.746739 1.21182  0.300481  1.67387  0.223058  
1 1 1 56 19 3  o 6.17304  0.0795604 38.2101      0.98226  37.9277      1.38562  38.4954      1.39265  6.14167  0.112805  6.18754  0.112537  
1 1 1 56 19 4  o 1.85903  0.142053  3.48722      0.528162 3.8133       0.728039 3.12494      0.767382 1.93747  0.187884  1.74895  0.219383  
1 1 1 56 19 5  o 3.32252  0.0877121 11.0794      0.582851 12.1563      0.835077 10.0564      0.813884 3.47477  0.120163  3.15884  0.128827  
1 1 1 56 19 6  o 0.831111 0.298527  0.625089     0.63346  0.567539     0.93973  0.673018     0.857589 0.903569 0.355416  0.90874  0.343908  
1 1 1 56 19 7  f 1.76785  0.192658  3.18363      0.681181 3.18967      0.952935 3.17731      0.974086 1.75381  0.271675  1.74883  0.278496  
1 1 1 56 19 8  o 3.72955  0.107748  13.9917      0.8037   14.5506      1.15106  13.4601      1.12268  3.79233  0.151761  3.64683  0.153926  
1 1 1 56 19 9  o 2.48922  0.151517  6.27241      0.754317 5.94559      1.07696  6.58715      1.05685  2.4062   0.223789  2.53715  0.208276  
1 1 1 56 19 10 o 3.58556  0.118988  12.9597      0.853277 12.0138      1.2089   13.8987      1.20454  3.43587  0.175924  3.70022  0.162766  
1 1 1 56 19 11 o 3.9863   0.106213  15.9951      0.846794 16.4848      1.26766  15.6006      1.13791  4.03113  0.157234  3.92574  0.14493   
1 1 1 56 19 12 o 5.12877  0.100671  26.4652      1.03263  24.5839      1.56925  27.902       1.3714   4.92041  0.159463  5.25517  0.130481  
1 1 1 56 19 13 o 0.814949 0.312055  0.521683     0.712956 0.258209     1.07924  0.725698     0.949684 0.868585 0.365352  0.938869 0.359967  
1 1 1 56 19 14 o 3.36602  0.117109  11.4346      0.788381 10.9257      1.13209  11.9137      1.09855  3.27261  0.172964  3.42208  0.160509  
1 1 1 56 19 15 o 1.22255  0.302836  1.65495      0.737573 2.06035      1.0673   1.28435      1.02045  1.34334  0.380155  1.10241  0.380542  
1 1 1 56 19 16 o 0.678094 0.294008  -0.0185068   0.73722  -0.275002    1.08162  0.204034     1.00749  0.766479 0.342835  0.827585 0.350783  
1 1 1 56 19 17 o 2.36227  0.174542  5.71142      0.82463  5.14517      1.17406  6.26276      1.1585   2.20887  0.26576   2.45024  0.236406  
1 1 1 56 19 18 o 1.96778  0.160488  3.95937      0.63161  3.54923      1.10117  4.16046      0.771055 1.78493  0.320067  2.00771  0.192023  
1 1 1 56 19 19 o 1.09778  0.301338  1.35017      0.681416 1.33233      0.972151 1.36741      0.955404 1.09808  0.371713  1.10763  0.368498  
1 1 1 56 19 20 o 3.05054  0.133918  9.48641      0.817043 8.43346      1.09238  10.8234      1.23093  2.84788  0.191788  3.22696  0.190726  
1 1 1 56 19 21 f 0.88631  0.319915  0.80773      0.728265 1.82747      0.991301 -0.388003    1.07344  1.2331   0.371495  0.726409 0.331238  
1 1 1 56 19 22 o 0.996098 0.330132  1.12967      0.76682  0.822009     1.03775  1.49969      1.13807  0.941205 0.372453  1.12559  0.400551  
1 1 1 56 19 23 o 0.844609 0.316175  0.71986      0.719978 0.884234     0.940811 0.487535     1.11849  0.928881 0.357731  0.87393  0.369973  
1 1 1 56 19 24 o 0.70111  0.303514  0.147412     0.78335  -0.18616     1.03858  0.587597     1.19306  0.722691 0.32854   0.891723 0.379978  
1 1 1 56 19 25 o 2.23707  0.20287   5.39823      0.907671 5.63133      1.31574  5.18656      1.25378  2.19252  0.300052  2.1067   0.29757   
1 1 1 56 19 26 o 1.97748  0.248212  4.46009      0.981667 4.9026       1.40377  4.03659      1.3733   1.91051  0.380877  1.68708  0.410365  
1 1 1 56 19 27 o 0.742941 0.320111  0.407225     0.86358  0.484822     1.25541  0.337526     1.1898   0.825948 0.369395  0.793426 0.357065  
1 1 1 56 19 28 o 1.4167   0.332436  2.72776      0.926729 1.72216      1.28929  3.80268      1.33299  1.02944  0.412483  1.55163  0.419497  
1 1 1 56 19 29 o 0.655931 0.308054  -0.0999617   1.03991  1.51011      1.56823  -1.36355     1.38928  0.905716 0.408637  0.616225 0.304752  
1 1 1 56 19 30 o 0.76582  0.347456  0.658982     1.14955  -0.125325    1.64921  1.40013      1.60318  0.733298 0.356159  0.873797 0.400907  
1 1 1 56 20 0  o 0.849872 0.405963  1.10191      0.785306 1.10191      0.785306 1.10191      0.785306 0.898198 0.333806  ?        ?         
1 1 1 56 20 1  o 1.67034  0.171302  2.83017      0.572267 3.00256      0.80461  2.65369      0.814088 1.70991  0.235279  1.60408  0.253756  
1 1 1 56 20 2  o 0.504606 0.23024   -0.328909    0.520383 0.38678      0.742719 -1.01903     0.729329 0.791177 0.314458  0.511064 0.245544  
1 1 1 56 20 3  o 2.62949  0.111178  6.95682      0.584682 7.50931      0.794261 6.30328      0.863846 2.72602  0.145681  2.49217  0.173312  
1 1 1 56 20 4  o 1.56372  0.161057  2.47704      0.503699 2.75042      0.666665 2.11338      0.7689   1.64163  0.203049  1.40285  0.283968  
1 1 1 56 20 5  o 2.36273  0.110536  5.61693      0.522332 6.02042      0.674168 5.01099      0.826173 2.44195  0.138039  2.21922  0.18614   
1 1 1 56 20 6  o 3.71088  0.0993736 13.84        0.737528 13.0935      1.05736  14.5473      1.02925  3.59872  0.146908  3.79632  0.135559  
1 1 1 56 20 7  o 2.16806  0.154409  4.75998      0.669538 4.48591      0.97787  5.00186      0.918643 2.08773  0.234194  2.21123  0.207722  
1 1 1 56 20 8  o 2.38618  0.147065  5.76249      0.701847 5.45252      1.02102  6.04016      0.966356 2.3036   0.221614  2.43093  0.198762  
1 1 1 56 20 9  o 1.33855  0.271491  1.92793      0.701477 1.56836      1.04055  2.22748      0.949738 1.20234  0.383985  1.41964  0.33874   
1 1 1 56 20 10 o 1.37154  0.261514  2.01439      0.691599 1.99061      1.01962  2.03465      0.941217 1.33556  0.369493  1.35393  0.346206  
1 1 1 56 20 11 o 0.712061 0.293946  0.204712     0.67819  -0.765131    0.983743 1.08313      0.936229 0.660524 0.307317  1.03913  0.363941  
1 1 1 56 20 12 o 1.18612  0.30456   1.54503      0.726148 -0.178034    1.07543  2.98889      0.984449 0.786138 0.347482  1.6563   0.308683  
1 1 1 56 20 13 o 2.76711  0.137382  7.7548       0.760305 6.73302      1.10335  8.6787       1.04917  2.55475  0.21594   2.91414  0.180014  
1 1 1 56 20 14 o 1.17548  0.30671   1.53124      0.728607 1.63362      1.09668  1.45033      0.974859 1.21188  0.394803  1.14888  0.372148  
1 1 1 56 20 15 o 1.56007  0.249392  2.54815      0.778137 1.2898       1.11725  3.73358      1.08439  1.11423  0.396833  1.87388  0.289344  
1 1 1 56 20 16 f 1.11876  0.318897  1.38957      0.748423 1.78556      1.14509  1.09425      0.988874 1.25524  0.403008  1.04067  0.373068  
1 1 1 56 20 17 o 2.28446  0.173069  5.35398      0.79074  4.74624      1.13941  5.91863      1.09827  2.11341  0.269568  2.37881  0.230845  
1 1 1 56 20 18 o 1.79287  0.223088  3.35741      0.799936 1.93727      1.12092  4.83126      1.14193  1.28811  0.396454  2.13048  0.267998  
1 1 1 56 20 19 o 2.36529  0.167147  5.75817      0.790706 5.9347       1.06325  5.53973      1.18272  2.37489  0.223853  2.2749   0.25995   
1 1 1 56 20 20 o 0.609737 0.276769  -0.284919    0.730886 -0.119488    0.991727 -0.481596    1.08133  0.741788 0.330126  0.716924 0.329067  
1 1 1 56 20 21 o 0.764184 0.309066  0.405406     0.733441 0.575201     1.00458  0.211584     1.07331  0.879256 0.359491  0.822718 0.355705  
1 1 1 56 20 22 o 1.3191   0.295527  2.01404      0.76019  1.85649      1.01336  2.21679      1.14962  1.22384  0.37701   1.32029  0.400525  
1 1 1 56 20 23 o 0.60919  0.281308  -0.408871    0.804579 -0.171567    1.13068  -0.652286    1.14515  0.756856 0.343732  0.696623 0.326459  
1 1 1 56 20 24 o 1.99805  0.221318  4.35583      0.884406 4.69649      1.25301  4.01762      1.24848  1.99239  0.314448  1.78308  0.362693  
1 1 1 56 20 25 o 0.729771 0.315101  0.254338     0.84014  1.5817       1.1732   -1.14286     1.20366  1.0813   0.403835  0.646337 0.31173   
1 1 1 56 20 26 o 0.611224 0.287188  -0.483539    0.906044 -0.091809    1.33934  -0.81407     1.23028  0.773315 0.359327  0.669841 0.32112   
1 1 1 56 20 27 o 1.77855  0.261192  3.76749      0.929087 5.07185      1.32812  2.51744      1.30018  1.92977  0.357544  1.23097  0.429099  
1 1 1 56 20 28 o 0.618279 0.290731  -0.263744    0.932094 -1.41408     1.33681  0.824642     1.30031  0.611068 0.301413  0.828919 0.373145  
1 1 1 56 20 29 o 0.637688 0.302706  -0.213566    1.04374  -0.791699    1.61535  0.200797     1.36755  0.684811 0.337321  0.733883 0.347482  
1 1 1 56 20 30 o 1.0164   0.396381  2.22922      1.16266  2.2059       1.74071  2.248        1.56222  0.897322 0.414136  0.92492  0.412905  
1 1 1 56 21 0  o 0.472705 0.315554  -0.160959    0.783104 -0.160959    0.783104 -0.160959    0.783104 0.389283 0.261337  ?        ?         
1 1 1 56 21 1  o 1.87274  0.151188  3.54785      0.566274 3.46561      0.790142 3.63471      0.811969 1.84021  0.214688  1.88442  0.215443  
1 1 1 56 21 2  o 1.61361  0.17129   2.6426       0.552791 2.21121      0.732287 3.21408      0.842848 1.44098  0.263927  1.76738  0.238446  
1 1 1 56 21 3  o 4.39655  0.0831188 19.3983      0.730871 20.0862      1.03995  18.7269      1.02739  4.46619  0.116424  4.31173  0.119139  
1 1 1 56 21 4  o 4.52252  0.0790069 20.5203      0.71462  21.4293      1.00813  19.6022      1.01314  4.61469  0.109231  4.41214  0.114812  
1 1 1 56 21 5  o 1.15538  0.287742  1.44766      0.663172 0.984871     0.980692 1.83761      0.900202 1.02389  0.371076  1.2916   0.342735  
1 1 1 56 21 6  o 4.31158  0.0951327 18.6841      0.820345 18.0946      1.18761  19.2221      1.1345   4.23036  0.140368  4.36357  0.129996  
1 1 1 56 21 7  o 2.31831  0.152429  5.44623      0.706753 6.59913      1.05209  4.49812      0.954083 2.53766  0.207295  2.08974  0.228278  
1 1 1 56 21 8  o 0.98279  0.313459  1.01468      0.693583 -0.155334    0.993326 2.12781      0.96888  0.762111 0.335781  1.38386  0.349715  
1 1 1 56 21 9  o 1.18363  0.28777   1.52613      0.675576 1.26106      1.002    1.74707      0.914768 1.10344  0.377376  1.25564  0.350852  
1 1 1 56 21 10 o 2.28457  0.163651  5.30582      0.747742 4.79079      1.10464  5.74139      1.01586  2.14475  0.257522  2.3622   0.215025  
1 1 1 56 21 11 o 1.94161  0.187192  3.85544      0.726906 3.98404      1.07513  3.74715      0.986572 1.94824  0.275924  1.89433  0.260401  
1 1 1 56 21 12 o 2.23486  0.17269   5.09705      0.771875 5.40867      1.17678  4.86175      1.02258  2.2739   0.258759  2.16379  0.236294  
1 1 1 56 21 13 o 2.23727  0.16987   5.11279      0.760088 4.22025      1.10967  5.9017       1.04326  1.99805  0.277687  2.3875   0.218484  
1 1 1 56 21 14 o 3.0626   0.133541  9.50593      0.817967 9.18578      1.1571   9.82572      1.15646  2.98875  0.193576  3.09401  0.186887  
1 1 1 56 21 15 o 1.68927  0.228953  2.96864      0.773528 3.39893      1.0886   2.52981      1.09934  1.75267  0.322643  1.48632  0.370663  
1 1 1 56 21 16 o 2.5978   0.155022  6.88703      0.80543  6.37206      1.20104  7.3079       1.08576  2.46274  0.243842  2.65651  0.204359  
1 1 1 56 21 17 o 2.00871  0.184556  4.15641      0.741441 4.6818       1.05089  3.63566      1.04624  2.10643  0.249449  1.84203  0.283991  
1 1 1 56 21 18 o 1.79685  0.236484  3.41308      0.84985  3.72368      1.14547  3.03277      1.26752  1.81311  0.327914  1.58911  0.399045  
1 1 1 56 21 19 f 1.20132  0.323815  1.67424      0.795735 1.55264      1.12613  1.79548      1.12455  1.15258  0.399579  1.222    0.399788  
1 1 1 56 21 20 o 0.685829 0.29507   0.0921046    0.731704 -0.207331    0.96189  0.503335     1.12724  0.713752 0.321139  0.894295 0.374646  
1 1 1 56 21 21 o 2.13505  0.182894  4.76434      0.780974 5.18294      1.08348  4.31166      1.12672  2.18743  0.24766   1.97006  0.285961  
1 1 1 56 21 22 o 1.13742  0.330065  1.56369      0.794779 0.74319      1.12183  2.39053      1.12616  0.922285 0.378954  1.36273  0.39207   
1 1 1 56 21 23 o 0.915808 0.338815  0.952117     0.821952 1.05541      1.16756  0.850625     1.15734  0.977522 0.392174  0.932761 0.384359  
1 1 1 56 21 24 o 2.03051  0.219134  4.50654      0.889907 4.14784      1.26228  4.86101      1.25479  1.80533  0.362361  2.02444  0.309911  
1 1 1 56 21 25 o 0.660592 0.299178  -0.0695457   0.848555 0.48581      1.19509  -0.634205    1.20505  0.837368 0.368646  0.688306 0.326036  
1 1 1 56 21 26 o 1.10328  0.370545  1.77102      0.966051 2.30415      1.35513  1.22012      1.37755  1.17519  0.434988  0.953897 0.407443  
1 1 1 56 21 27 o 0.978172 0.369886  1.42962      0.991377 1.51026      1.43654  1.35628      1.36987  0.975595 0.416373  0.95021  0.406101  
1 1 1 56 21 28 o 0.56552  0.273856  -0.730892    0.961221 -1.78789     1.41544  0.173763     1.30948  0.59479  0.29638   0.731499 0.344152  
1 1 1 56 21 29 o 0.765758 0.345306  0.674805     1.11831  2.09244      1.72721  -0.348428    1.46741  0.949262 0.428537  0.694215 0.336794  
1 1 1 56 22 0  o 2.04152  0.202615  4.33472      0.808591 4.33472      0.808591 4.33472      0.808591 2.06241  0.140099  ?        ?         
1 1 1 56 22 1  o 1.83617  0.156849  3.41734      0.576003 2.8127       0.791959 4.09641      0.839284 1.65097  0.239847  1.99967  0.209855  
1 1 1 56 22 2  o 0.722607 0.270512  0.424003     0.527039 1.0207       0.700206 -0.355907    0.800516 0.986964 0.314969  0.645014 0.291434  
1 1 1 56 22 3  o 0.760788 0.264284  0.549795     0.492847 0.363779     0.659828 0.784543     0.741235 0.751172 0.297072  0.909836 0.323311  
1 1 1 56 22 4  o 2.20081  0.118456  4.88247      0.5214   4.56572      0.662037 5.39987      0.846118 2.12197  0.155996  2.30153  0.183816  
1 1 1 56 22 5  o 2.55878  0.137495  6.61897      0.70364  7.15127      1.02938  6.15211      0.964023 2.64529  0.194569  2.45302  0.196497  
1 1 1 56 22 6  o 1.21214  0.276754  1.59165      0.656446 2.43903      0.971816 0.880551     0.890246 1.48705  0.334827  0.97216  0.35343   
1 1 1 56 22 7  o 3.76325  0.10206   14.2503      0.768154 14.1132      1.10707  14.3775      1.06672  3.73221  0.148313  3.7692   0.141505  
1 1 1 56 22 8  o 2.63258  0.139479  7.01321      0.73438  6.82919      1.0821   7.17034      0.999905 2.5784   0.209839  2.64872  0.188752  
1 1 1 56 22 9  o 4.30415  0.0999653 18.6431      0.86053  18.3697      1.24523  18.8929      1.19056  4.25695  0.146258  4.32043  0.137783  
1 1 1 56 22 10 o 2.07371  0.177067  4.38957      0.734373 4.52636      1.07644  4.27048      1.00442  2.08181  0.258536  2.02557  0.247935  
1 1 1 56 22 11 o 2.415    0.148903  5.9233       0.719199 6.63316      1.05405  5.30492      0.983785 2.53728  0.207712  2.266    0.217075  
1 1 1 56 22 12 o 2.58377  0.161034  6.80503      0.83215  7.49935      1.19127  6.14337      1.16292  2.68988  0.221436  2.42732  0.239549  
1 1 1 56 22 13 o 0.76023  0.30909   0.316941     0.738469 0.28114      1.10372  0.345958     0.993637 0.873617 0.368565  0.853433 0.354261  
1 1 1 56 22 14 o 0.995239 0.323574  1.05864      0.736656 0.940317     1.04921  1.17367      1.03452  1.00936  0.380862  1.06986  0.381776  
1 1 1 56 22 15 o 3.47691  0.132805  12.2706      0.923499 12.8109      1.26768  11.6595      1.34807  3.53124  0.179495  3.35761  0.200748  
1 1 1 56 22 16 o 2.84272  0.143592  8.2282       0.816385 6.57949      1.14038  9.96146      1.16925  2.50834  0.227317  3.10789  0.18811   
1 1 1 56 22 17 o 3.00846  0.13578   9.21811      0.816976 9.65292      1.1261   8.73494      1.18707  3.05568  0.184263  2.89552  0.204984  
1 1 1 56 22 18 o 1.56657  0.242524  2.61768      0.759861 3.24538      1.05698  1.94629      1.09314  1.68257  0.325723  1.26949  0.39167   
1 1 1 56 22 19 o 1.73866  0.226817  3.21412      0.788717 3.49196      1.12583  2.94633      1.10528  1.73223  0.336991  1.57238  0.359188  
1 1 1 56 22 20 o 1.17355  0.330434  1.62906      0.808363 2.12754      1.16746  1.16997      1.12039  1.30062  0.405472  1.03732  0.392933  
1 1 1 56 22 21 o 0.823325 0.328944  0.576978     0.816603 0.163583     1.16949  0.970305     1.14075  0.827974 0.364593  0.979392 0.389572  
1 1 1 56 22 22 o 0.578494 0.272195  -0.639873    0.81954  0.408765     1.18477  -1.60201     1.13485  0.859015 0.372588  0.593158 0.289681  
1 1 1 56 22 23 o 0.70122  0.308373  0.0919347    0.834391 0.138104     1.20566  0.0494967    1.15592  0.810289 0.362207  0.784586 0.352579  
1 1 1 56 22 24 o 0.710095 0.313825  0.123681     0.87677  0.0827656    1.2883   0.158982     1.19665  0.803852 0.365563  0.79507  0.357932  
1 1 1 56 22 25 o 1.15891  0.359096  1.88391      0.917544 2.66584      1.34428  1.20186      1.25548  1.27979  0.437105  0.955505 0.397519  
1 1 1 56 22 26 o 1.22964  0.369824  2.20866      0.982961 1.89068      1.3708   2.54522      1.41028  1.07002  0.426601  1.20743  0.444261  
1 1 1 56 22 27 o 0.542379 0.264781  -0.972849    0.945044 -0.761693    1.4285   -1.13719     1.26025  0.675337 0.328939  0.612551 0.300728  
1 1 1 56 22 28 o 0.483916 0.241548  -1.68328     0.960129 -1.1807      1.37642  -2.15959     1.33997  0.620845 0.306142  0.55369  0.277757  
1 1 1 56 22 29 o 0.690968 0.323     0.378388     1.10304  -0.495001    1.64465  1.09245      1.48709  0.671756 0.332061  0.788074 0.369801  
1 1 1 56 23 0  f 2.86683  0.155526  8.34823      0.885737 8.34823      0.885737 8.34823      0.885737 2.87817  0.10916   ?        ?         
1 1 1 56 23 1  o 2.91507  0.104145  8.55146      0.607181 9.85645      0.861091 7.26097      0.856296 3.12218  0.137899  2.67465  0.160076  
1 1 1 56 23 2  o 3.36102  0.0945436 11.3556      0.635526 12.0078      0.883776 10.6573      0.914553 3.44865  0.128134  3.2457   0.140887  
1 1 1 56 23 3  o 0.901519 0.258561  0.866593     0.490536 1.51196      0.67538  0.14603      0.713645 1.17839  0.288497  0.71203  0.298184  
1 1 1 56 23 4  o 1.6282   0.210247  2.7209       0.684648 0.505441     0.975818 4.86884      0.960833 0.893318 0.358472  2.17506  0.220875  
1 1 1 56 23 5  o 4.89518  0.09153   24.0843      0.896112 25.9904      1.31088  22.4122      1.22778  5.07237  0.129218  4.70987  0.130341  
1 1 1 56 23 6  o 1.75096  0.192133  3.13566      0.672834 2.83811      0.961833 3.4208       0.941553 1.61459  0.308879  1.81186  0.25983   
1 1 1 56 23 7  o 3.27871  0.112467  10.8359      0.737492 11.1252      1.06956  10.5738      1.01827  3.30794  0.161666  3.22617  0.157814  
1 1 1 56 23 8  o 3.36759  0.113736  11.4367      0.766033 12.5464      1.11577  10.4473      1.05357  3.51306  0.158803  3.20386  0.164422  
1 1 1 56 23 9  o 2.94761  0.127514  8.78515      0.751723 7.60692      1.06434  9.95788      1.06186  2.72268  0.195458  3.12488  0.169904  
1 1 1 56 23 10 o 2.37773  0.157285  5.75537      0.747959 6.08876      1.0917   5.46044      1.02683  2.42334  0.225247  2.29547  0.223663  
1 1 1 56 23 11 o 2.94817  0.130911  8.80337      0.771892 7.77131      1.13852  9.6813       1.05007  2.74386  0.207468  3.07814  0.170569  
1 1 1 56 23 12 o 2.30023  0.171846  5.40979      0.790568 5.55294      1.18118  5.29363      1.06403  2.29946  0.256839  2.25349  0.236085  
1 1 1 56 23 13 f 2.52711  0.150401  6.49774      0.760159 6.80987      1.07734  6.18827      1.07273  2.56625  0.209905  2.44253  0.219594  
1 1 1 56 23 14 o 3.19064  0.130655  10.3295      0.833744 9.40371      1.21439  11.155       1.1467   3.01462  0.201417  3.29748  0.173875  
1 1 1 56 23 15 o 2.66594  0.152872  7.2539       0.815094 8.43548      1.18509  6.19316      1.12286  2.85039  0.207881  2.43191  0.23086   
1 1 1 56 23 16 o 1.21767  0.30613   1.67931      0.745317 1.78048      1.05656  1.57911      1.05153  1.23321  0.38599   1.17211  0.386591  
1 1 1 56 23 17 o 0.967348 0.324854  1.02713      0.742497 1.835        1.007    0.0646591    1.09914  1.24115  0.374526  0.811372 0.355387  
1 1 1 56 23 18 o 1.04938  0.324381  1.26788      0.749319 0.996879     1.05001  1.54912      1.06966  0.992113 0.379048  1.14488  0.38991   
1 1 1 56 23 19 o 2.12633  0.190336  4.73284      0.809435 3.86265      1.17802  5.51113      1.11409  1.81813  0.336619  2.26027  0.246449  
1 1 1 56 23 20 o 1.3171   0.307263  2.0341       0.795342 2.45249      1.15619  1.65827      1.09581  1.38718  0.396666  1.15689  0.394646  
1 1 1 56 23 21 o 1.18745  0.33577   1.73164      0.832953 2.02842      1.19166  1.44811      1.16475  1.23633  0.411545  1.08283  0.402781  
1 1 1 56 23 22 o 0.835844 0.334278  0.663999     0.844473 1.01188      1.21627  0.340197     1.17342  0.970758 0.396006  0.837849 0.36709   
1 1 1 56 23 23 o 1.05701  0.342317  1.42333      0.824868 2.37844      1.18716  0.531815     1.14696  1.29969  0.40962   0.855496 0.368763  
1 1 1 56 23 24 o 0.681092 0.309562  -0.0564096   0.92095  -0.0182091   1.2805   -0.0973431   1.32551  0.773919 0.356426  0.773404 0.358636  
1 1 1 56 23 25 o 0.764454 0.332973  0.434459     0.953772 0.484741     1.40482  0.391463     1.29906  0.843446 0.38308   0.816116 0.369864  
1 1 1 56 23 26 o 0.627946 0.294646  -0.288758    0.943636 -0.0478842   1.36872  -0.506965    1.30273  0.747169 0.35162   0.689266 0.330435  
1 1 1 56 23 27 o 1.23041  0.373735  2.50637      1.00055  1.42631      1.56302  3.25623      1.30236  0.888212 0.403588  1.29673  0.430237  
1 1 1 56 23 28 o 0.846535 0.358494  1.16341      1.05073  1.31134      1.5575   1.03984      1.42344  0.858799 0.394498  0.825931 0.378451  
1 1 1 56 24 0  o 3.45687  0.131193  12.0641      0.90407  12.0641      0.90407  12.0641      0.90407  3.46511  0.0923929 ?        ?         
1 1 1 56 24 1  o 2.4529   0.122664  6.07225      0.601766 6.67863      0.821294 5.36936      0.884238 2.56405  0.160156  2.29096  0.192984  
1 1 1 56 24 2  o 1.94587  0.144629  3.83524      0.562859 2.78443      0.746818 5.21702      0.856389 1.64246  0.227347  2.25897  0.189553  
1 1 1 56 24 3  o 5.55836  0.0766376 31.0082      0.851959 32.6584      1.25863  29.6127      1.15742  5.69293  0.110543  5.42238  0.106726  
1 1 1 56 24 4  f 1.96496  0.177032  3.9374       0.69572  4.67078      0.994115 3.23342      0.973988 2.12446  0.233969  1.75564  0.277388  
1 1 1 56 24 5  o 5.04278  0.0922602 25.569       0.930495 26.8128      1.33226  24.3844      1.30016  5.15024  0.12934   4.91022  0.132394  
1 1 1 56 24 6  f 1.77216  0.194032  3.21864      0.687712 3.27801      0.981361 3.16136      0.964015 1.76591  0.277863  1.73418  0.277946  
1 1 1 56 24 7  o 2.11857  0.165579  4.57249      0.701582 3.80416      1.01375  5.27877      0.971948 1.90484  0.266098  2.26212  0.214831  
1 1 1 56 24 8  o 0.994012 0.311027  1.06225      0.686093 1.88312      0.998491 0.328007     0.944337 1.29042  0.368504  0.835945 0.346079  
1 1 1 56 24 9  o 1.68088  0.20762   2.91624      0.697969 3.86313      1.02507  2.09778      0.953018 1.91514  0.267623  1.36273  0.348318  
1 1 1 56 24 10 o 3.12537  0.127186  9.88715      0.795004 9.03382      1.15815  10.6475      1.09326  2.96324  0.19542   3.22832  0.169324  
1 1 1 56 24 11 o 2.89394  0.135826  8.49295      0.786148 7.47284      1.126    9.46311      1.09809  2.68893  0.209377  3.03851  0.180695  
1 1 1 56 24 12 o 0.691302 0.297725  0.0285171    0.746376 -0.159639    1.0767   0.202571     1.03557  0.782311 0.346495  0.834564 0.354767  
1 1 1 56 24 13 o 3.58432  0.116657  13.0001      0.83627  11.9619      1.18524  14.0293      1.18011  3.41413  0.173578  3.70492  0.159262  
1 1 1 56 24 14 o 1.19157  0.313378  1.59826      0.756835 1.71163      1.12373  1.50415      1.02388  1.22221  0.399644  1.15662  0.381474  
1 1 1 56 24 15 o 1.646    0.226917  2.84836      0.747009 2.19271      1.0208   3.60428      1.09608  1.3674   0.365941  1.81842  0.301381  
1 1 1 56 24 16 o 2.87149  0.139997  8.42562      0.803998 8.59644      1.10713  8.23501      1.16948  2.87286  0.192688  2.80217  0.208674  
1 1 1 56 24 17 o 0.565114 0.26537   -0.663429    0.770857 -0.794484    1.12592  -0.547796    1.0576   0.689718 0.32331   0.697986 0.322391  
1 1 1 56 24 18 o 4.15691  0.120127  17.598       0.998719 17.7424      1.38116  17.4398      1.44587  4.13906  0.166844  4.09522  0.176532  
1 1 1 56 24 19 o 1.36601  0.298472  2.16241      0.792949 0.899286     1.14886  3.31158      1.09582  0.970519 0.389164  1.6688   0.340114  
1 1 1 56 24 20 o 0.985702 0.336121  1.14109      0.794892 1.49874      1.17447  0.83879      1.07978  1.10034  0.405367  0.93254  0.375891  
1 1 1 56 24 21 o 1.9361   0.22039   4.08125      0.853395 3.87574      1.21564  4.28093      1.19831  1.75693  0.358367  1.9039   0.314699  
1 1 1 56 24 22 o 2.70256  0.172962  7.72788      0.93488  9.08426      1.3431   6.45305      1.30209  2.86506  0.234393  2.37276  0.274383  
1 1 1 56 24 23 o 1.82244  0.261497  3.84971      0.953126 3.54619      1.30665  4.19484      1.39337  1.56956  0.411292  1.71673  0.41072   
1 1 1 56 24 24 f 2.21998  0.232933  5.65226      1.03421  5.30232      1.53614  5.94238      1.3987   1.89041  0.41747   2.15124  0.325091  
1 1 1 56 24 25 o 1.36549  0.367428  2.69161      1.02562  4.02337      1.65859  1.86708      1.30505  1.46657  0.485525  1.06495  0.418859  
1 1 1 56 24 26 o 0.519737 0.255785  -1.12673     0.921139 -1.21035     1.2888   -1.0394      1.31704  0.610056 0.300487  0.629112 0.3084    
1 1 1 56 24 27 o 0.568595 0.275569  -0.725524    0.977998 -0.539837    1.40481  -0.900158    1.36236  0.67485  0.328067  0.639946 0.313695  
1 1 1 56 24 28 o 0.621365 0.297314  -0.0818236   1.04203  -0.523321    1.52742  0.302556     1.4252   0.648078 0.320273  0.698426 0.33739   
1 1 1 56 25 0  o 2.02859  0.204677  4.29335      0.811029 4.29335      0.811029 4.29335      0.811029 2.05101  0.141346  ?        ?         
1 1 1 56 25 1  o 2.6854   0.115344  7.27433      0.619487 7.70089      0.850281 6.79175      0.904396 2.75349  0.1544    2.58011  0.175263  
1 1 1 56 25 2  o 1.97325  0.139689  3.94391      0.551283 4.67461      0.769314 3.17266      0.790377 2.13927  0.179807  1.75188  0.225579  
1 1 1 56 25 3  o 2.62565  0.105345  6.94518      0.553196 7.9124       0.738876 5.71142      0.834497 2.7966   0.132102  2.36533  0.176401  
1 1 1 56 25 4  o 3.32224  0.116639  11.1397      0.775006 11.8409      1.0809   10.3979      1.1118   3.41196  0.158398  3.1917   0.174171  
1 1 1 56 25 5  f 1.30026  0.269844  1.83539      0.67826  0.826867     0.958072 2.8487       0.96034  0.964775 0.363972  1.6124   0.308812  
1 1 1 56 25 6  o 2.66637  0.135335  7.2043       0.721707 7.48399      1.04253  6.94693      1.00009  2.69941  0.193103  2.60106  0.192246  
1 1 1 56 25 7  o 1.597    0.21736   2.64033      0.694248 1.90403      1.00265  3.31846      0.96223  1.29484  0.369112  1.77377  0.271239  
1 1 1 56 25 8  o 2.08052  0.170692  4.42353      0.710258 4.71447      1.0329   4.16257      0.978239 2.12456  0.243086  1.99563  0.245096  
1 1 1 56 25 9  o 1.13427  0.302154  1.42443      0.69795  1.17254      1.01957  1.64656      0.957454 1.06796  0.379217  1.20977  0.365224  
1 1 1 56 25 10 o 2.85962  0.137663  8.29662      0.787325 9.32189      1.12644  7.31734      1.10089  3.0129   0.186937  2.66158  0.206811  
1 1 1 56 25 11 o 2.01782  0.184924  4.18602      0.746288 4.48871      1.06502  3.89401      1.04606  2.06301  0.258124  1.9156   0.273036  
1 1 1 56 25 12 o 2.74516  0.148387  7.68131      0.814692 7.02558      1.194    8.25254      1.11441  2.59112  0.230403  2.82507  0.197235  
1 1 1 56 25 13 o 2.93994  0.139947  8.79494      0.82287  6.73778      1.16549  10.8396      1.16195  2.53628  0.229764  3.24598  0.178983  
1 1 1 56 25 14 o 2.69359  0.150413  7.42163      0.810303 6.70172      1.13424  8.17202      1.15801  2.52555  0.224554  2.79911  0.206853  
1 1 1 56 25 15 o 1.65062  0.23144   2.88804      0.764037 2.0729       1.02346  3.91417      1.1483   1.3165   0.372171  1.8823   0.305027  
1 1 1 56 25 16 o 0.623636 0.283967  -0.331171    0.78277  -1.73406     1.13378  0.946581     1.08204  0.596082 0.290821  0.985077 0.382755  
1 1 1 56 25 17 o 0.853866 0.326552  0.680534     0.779942 1.28869      1.15696  0.17393      1.05596  1.07498  0.401119  0.810253 0.351599  
1 1 1 56 25 18 o 0.889227 0.327994  0.820749     0.769127 0.813078     1.12018  0.827592     1.05791  0.947891 0.382536  0.940453 0.374822  
1 1 1 56 25 19 o 0.71851  0.30895   0.173643     0.801328 0.00561641   1.165    0.324524     1.10396  0.796691 0.35609   0.834844 0.360845  
1 1 1 56 25 20 o 1.85977  0.22056   3.76115      0.820384 2.62804      1.19691  4.76518      1.12667  1.39492  0.405131  2.04772  0.275104  
1 1 1 56 25 21 o 1.11067  0.341128  1.56205      0.830483 1.05787      1.15984  2.09252      1.18969  0.970573 0.390257  1.22984  0.411205  
1 1 1 56 25 22 o 2.73431  0.17998   8.01295      0.984243 6.64876      1.3314   9.65689      1.46155  2.38051  0.279646  2.91095  0.251043  
1 1 1 56 25 23 o 0.841405 0.343178  0.788421     0.913241 0.347262     1.31139  1.20382      1.27253  0.820909 0.371848  0.956946 0.399295  
1 1 1 56 25 24 o 0.657205 0.306283  -0.253926    0.982323 0.342384     1.55419  -0.650612    1.26763  0.84122  0.389415  0.684642 0.327671  
1 1 1 56 25 25 o 0.50358  0.248009  -1.24509     0.893507 -1.83633     1.28882  -0.697942    1.23982  0.573333 0.285286  0.646717 0.312802  
1 1 1 56 25 26 o 0.502615 0.247544  -1.12594     0.884916 -0.731725    1.28584  -1.48065     1.2197   0.634739 0.309686  0.565988 0.281063  
1 1 1 56 25 27 o 0.860922 0.356412  1.2531       1.00154  2.10666      1.44099  0.455442     1.39301  0.966432 0.414882  0.749261 0.353223  
1 1 1 56 26 0  o 0.7612   0.400538  0.902464     0.800068 0.902464     0.800068 0.902464     0.800068 0.777874 0.34599   ?        ?         
1 1 1 56 26 1  o 1.71374  0.176459  3.00304      0.60481  3.089        0.826876 2.90413      0.88694  1.72214  0.240072  1.66203  0.266824  
1 1 1 56 26 2  o 1.78206  0.153017  3.23002      0.545369 2.98873      0.762921 3.48217      0.779895 1.69789  0.224667  1.83617  0.21237   
1 1 1 56 26 3  o 0.677311 0.285323  0.117907     0.659849 -0.620231    0.989772 0.708423     0.885283 0.679162 0.313005  0.912561 0.348224  
1 1 1 56 26 4  o 1.34867  0.266624  1.9723       0.693587 2.5328       0.969557 1.38483      0.992608 1.50579  0.330924  1.12907  0.375604  
1 1 1 56 26 5  o 2.73953  0.132187  7.60342      0.72426  7.7609       1.03363  7.45152      1.01513  2.7497   0.187954  2.69417  0.188394  
1 1 1 56 26 6  o 1.51503  0.224713  2.38282      0.680892 2.55774      0.984505 2.22244      0.942709 1.51102  0.334652  1.40516  0.338881  
1 1 1 56 26 7  o 1.38971  0.261456  2.08827      0.70001  1.25735      1.01027  2.85559      0.970836 1.0912   0.378449  1.60852  0.312947  
1 1 1 56 26 8  o 1.78802  0.201614  3.2968       0.720982 3.72009      1.04947  2.91846      0.992181 1.87308  0.280147  1.62435  0.316708  
1 1 1 56 26 9  o 1.79038  0.203561  3.3116       0.728903 3.0702       1.04453  3.54073      1.01765  1.66029  0.326186  1.82589  0.278671  
1 1 1 56 26 10 o 2.13398  0.177125  4.67714      0.755959 4.23868      1.0758   5.10482      1.0625   1.99747  0.26929   2.20503  0.240927  
1 1 1 56 26 11 o 2.52951  0.147963  6.5217       0.748547 5.67563      1.08439  7.29182      1.03458  2.32739  0.232962  2.65634  0.194737  
1 1 1 56 26 12 o 2.10361  0.192313  4.57698      0.809101 3.4494       1.1941   5.53409      1.10015  1.73394  0.356557  2.29203  0.239993  
1 1 1 56 26 13 o 1.79622  0.206643  3.36882      0.742354 3.3678       1.06788  3.36978      1.0327   1.7255   0.321423  1.73294  0.309077  
1 1 1 56 26 14 o 1.72146  0.225564  3.13427      0.776597 2.14943      1.14359  3.97713      1.05795  1.32801  0.398794  1.91274  0.276554  
1 1 1 56 26 15 o 1.06176  0.338226  1.30183      0.807698 0.840709     1.15822  1.73838      1.12694  0.973963 0.390662  1.19996  0.400213  
1 1 1 56 26 16 o 1.30352  0.305299  1.96211      0.782771 1.60645      1.168    2.2521       1.05467  1.15769  0.406402  1.35766  0.37587   
1 1 1 56 26 17 o 1.22454  0.312331  1.761        0.767479 0.371801     1.11909  2.99457      1.05454  0.857948 0.366872  1.58447  0.342483  
1 1 1 56 26 18 o 1.50457  0.27574   2.58303      0.79881  2.29407      1.13829  2.86342      1.12128  1.33225  0.397425  1.51161  0.372748  
1 1 1 56 26 19 o 0.894982 0.333835  0.880568     0.801233 1.09616      1.14259  0.671986     1.12387  0.988139 0.390882  0.894328 0.374341  
1 1 1 56 26 20 o 1.73608  0.240142  3.34302      0.83381  2.86592      1.15427  3.86367      1.20579  1.47001  0.387195  1.75138  0.356616  
1 1 1 56 26 21 o 0.893115 0.341067  0.91817      0.849811 0.661097     1.18092  1.19428      1.22386  0.879508 0.376506  0.989251 0.399592  
1 1 1 56 26 22 o 1.09362  0.363486  1.66955      0.929595 1.3651       1.34574  1.94741      1.28562  0.996988 0.412966  1.12296  0.422077  
1 1 1 56 26 23 o 0.558217 0.269943  -0.93084     0.921628 -1.22387     1.33987  -0.66769     1.26972  0.652746 0.318049  0.685693 0.328118  
1 1 1 56 26 24 o 0.586977 0.279576  -0.519978    0.897007 0.241663     1.29383  -1.22488     1.24471  0.772764 0.356798  0.615607 0.301279  
1 1 1 56 26 25 o 0.518885 0.254282  -1.01699     0.894135 -0.862142    1.2695   -1.16943     1.25956  0.627308 0.306365  0.602201 0.296611  
1 1 1 56 26 26 o 0.820034 0.353647  0.98357      1.05583  -1.28466     1.57742  2.82458      1.42112  0.649738 0.322149  1.13668  0.439269  
1 1 1 56 26 27 f 0.490964 0.245482  -1.48609     1.01337  -1.01392     1.44645  -1.94126     1.42015  0.600181 0.299142  0.547727 0.276247  
1 1 1 56 27 0  o 0.370291 0.266158  -1.08677     0.844298 -1.08677     0.844298 -1.08677     0.844298 0.281741 0.205478  ?        ?         
1 1 1 56 27 1  o 4.36062  0.0880618 19.1262      0.768008 19.2558      1.06816  18.9875      1.10503  4.36355  0.122396  4.33095  0.127574  
1 1 1 56 27 2  o 1.51123  0.174575  2.33643      0.527646 2.20613      0.719297 2.48824      0.776377 1.42934  0.261335  1.54087  0.251928  
1 1 1 56 27 3  o 1.13052  0.289003  1.40907      0.656009 0.773474     0.989614 1.90731      0.876181 0.953465 0.366956  1.3025   0.334608  
1 1 1 56 27 4  o 0.712767 0.295195  0.210712     0.687464 1.07496      0.972187 -0.653651    0.972255 1.03306  0.36995   0.666499 0.308329  
1 1 1 56 27 5  o 1.51728  0.224465  2.3909       0.681153 1.56362      0.97537  3.17845      0.95166  1.18237  0.37102   1.73348  0.274494  
1 1 1 56 27 6  o 1.90495  0.185004  3.72449      0.704845 3.59747      1.01369  3.84339      0.980733 1.84373  0.274901  1.91257  0.256391  
1 1 1 56 27 7  o 0.868281 0.312311  0.722398     0.693521 -0.035738    1.01271  1.39194      0.951701 0.780943 0.341601  1.12396  0.367783  
1 1 1 56 27 8  o 1.78987  0.203257  3.31668      0.727605 3.15432      1.02927  3.47886      1.02871  1.68376  0.317268  1.80376  0.285157  
1 1 1 56 27 9  o 1.89155  0.197079  3.69991      0.745569 3.77773      1.06386  3.6248       1.04518  1.87874  0.283131  1.83994  0.284025  
1 1 1 56 27 10 o 2.12472  0.178515  4.64193      0.758587 5.02559      1.10286  4.29741      1.04508  2.18063  0.252876  2.01359  0.259507  
1 1 1 56 27 11 o 3.29754  0.126052  11.0419      0.831321 11.6572      1.24611  10.5483      1.11596  3.35872  0.185504  3.20102  0.174313  
1 1 1 56 27 12 o 1.38003  0.2989    2.15092      0.801707 2.036        1.22824  2.23623      1.05823  1.29747  0.417467  1.37083  0.375186  
1 1 1 56 27 13 o 2.52388  0.158616  6.5546       0.800653 6.01142      1.17726  7.02205      1.09211  2.36882  0.248491  2.58413  0.211312  
1 1 1 56 27 14 o 0.783368 0.317791  0.421543     0.778745 0.172264     1.12591  0.650169     1.07826  0.832776 0.36224   0.915149 0.373016  
1 1 1 56 27 15 o 1.84487  0.214003  3.60232      0.789616 3.79801      1.18673  3.44685      1.05774  1.79989  0.342022  1.72998  0.31757   
1 1 1 56 27 16 o 0.508012 0.245469  -1.02616     0.756276 -0.950271    1.09124  -1.0963      1.04908  0.653016 0.309762  0.621774 0.297704  
1 1 1 56 27 17 o 1.76751  0.229209  3.37692      0.81026  3.18815      1.18795  3.54113      1.10799  1.59419  0.377868  1.72257  0.333513  
1 1 1 56 27 18 o 1.49444  0.285177  2.60022      0.821806 2.34605      1.14565  2.86962      1.17951  1.32754  0.399254  1.47867  0.392294  
1 1 1 56 27 19 o 2.50489  0.17607   6.63993      0.882072 6.97989      1.214    6.25974      1.28381  2.50844  0.241982  2.34324  0.273939  
1 1 1 56 27 20 o 1.56268  0.28223   2.88589      0.849776 3.60031      1.1955   2.15629      1.20813  1.66165  0.369417  1.23185  0.414379  
1 1 1 56 27 21 o 1.20532  0.350822  1.96599      0.896575 2.04187      1.29628  1.8964       1.2414   1.15206  0.425636  1.12308  0.416208  
1 1 1 56 27 22 o 0.918754 0.349878  1.11968      0.892225 1.48191      1.28782  0.785322     1.23729  1.00141  0.407831  0.870451 0.379193  
1 1 1 56 27 23 o 0.71691  0.318054  0.260801     0.912257 -0.390132    1.27702  0.939152     1.30364  0.708633 0.335648  0.888644 0.388152  
1 1 1 56 27 24 o 0.810123 0.338293  0.887084     0.914499 0.0498206    1.32276  1.65369      1.26572  0.728026 0.343502  0.957868 0.398859  
1 1 1 56 27 25 o 0.713705 0.316613  0.473361     0.903819 1.43964      1.28612  -0.469464    1.27041  0.896054 0.388419  0.656464 0.317364  
1 1 1 56 27 26 f 0.626785 0.297156  -0.0651458   1.003    -0.758454    1.47041  0.538149     1.37164  0.639635 0.315651  0.734606 0.347908  
1 1 1 56 28 0  o 0.622582 0.380645  0.430779     0.882123 0.430779     0.882123 0.430779     0.882123 0.569629 0.333397  ?        ?         
1 1 1 56 28 1  o 4.238    0.0878912 18.0675      0.744966 17.4675      1.06403  18.6444      1.04336  4.15322  0.128097  4.29356  0.121503  
1 1 1 56 28 2  o 5.94271  0.0807701 35.4935      0.959987 37.7652      1.45171  33.728       1.27975  6.11215  0.118756  5.7803   0.110699  
1 1 1 56 28 3  o 2.32196  0.155988  5.4946       0.724398 5.58675      1.08094  5.41948      0.97599  2.31454  0.233511  2.28741  0.21334   
1 1 1 56 28 4  o 2.0322   0.180023  4.23793      0.731686 3.74858      1.03     4.73642      1.03958  1.88002  0.273934  2.12564  0.244535  
1 1 1 56 28 5  o 1.69092  0.212991  2.96784      0.7203   3.12407      1.04044  2.82403      0.998187 1.6743   0.322207  1.58816  0.325466  
1 1 1 56 28 6  o 3.58558  0.113897  13.0021      0.816772 13.5329      1.17823  12.511       1.13326  3.63743  0.161959  3.49738  0.162016  
1 1 1 56 28 7  o 0.751253 0.302953  0.347224     0.701839 1.26394      1.02273  -0.468749    0.964896 1.08554  0.380364  0.686974 0.313469  
1 1 1 56 28 8  o 1.18137  0.299406  1.56133      0.708639 0.18289      1.02218  2.83684      0.983281 0.821396 0.350915  1.59096  0.320272  
1 1 1 56 28 9  o 1.48085  0.244773  2.31738      0.724942 1.86958      1.0531   2.72072      0.99945  1.26498  0.383261  1.54606  0.332755  
1 1 1 56 28 10 o 1.54577  0.253574  2.54753      0.783934 2.76508      1.20653  2.38859      1.03128  1.51848  0.393979  1.42707  0.360901  
1 1 1 56 28 11 o 2.08093  0.190318  4.5039       0.792076 4.18562      1.21244  4.74087      1.04619  1.94356  0.311913  2.10641  0.248334  
1 1 1 56 28 12 o 2.42862  0.174086  6.10904      0.845578 5.566        1.26948  6.5421       1.13367  2.2564   0.281307  2.48265  0.228317  
1 1 1 56 28 13 o 1.75518  0.223835  3.27121      0.78574  3.02048      1.14334  3.49561      1.08163  1.58629  0.367324  1.74259  0.322485  
1 1 1 56 28 14 o 2.92945  0.142731  8.80733      0.836246 9.27597      1.24181  8.41848      1.13118  2.96251  0.209587  2.82914  0.199915  
1 1 1 56 28 15 o 0.674032 0.29321   0.0494323    0.737775 -0.0595512   1.10514  0.137054     0.990924 0.778023 0.347307  0.777918 0.339111  
1 1 1 56 28 16 o 2.08064  0.202794  4.60421      0.843881 5.63037      1.18647  3.55361      1.20051  2.25523  0.263047  1.69796  0.364036  
1 1 1 56 28 17 o 0.765319 0.318319  0.39686      0.80474  0.55453      1.12323  0.230573     1.15352  0.872619 0.370154  0.821535 0.36192   
1 1 1 56 28 18 f 0.736032 0.313232  0.291407     0.80888  0.0369678    1.12448  0.564247     1.16443  0.775884 0.348235  0.874707 0.374141  
1 1 1 56 28 19 o 1.00198  0.352992  1.25901      0.881865 1.8671       1.27804  0.706361     1.21838  1.15384  0.423077  0.901212 0.384005  
1 1 1 56 28 20 o 0.851533 0.337668  0.80902      0.854593 1.06172      1.22591  0.570121     1.19196  0.944002 0.392776  0.850113 0.371239  
1 1 1 56 28 21 o 1.1617   0.342538  1.85546      0.849376 1.29868      1.18617  2.44139      1.21682  0.965972 0.392071  1.24341  0.415867  
1 1 1 56 28 22 o 0.842798 0.338484  0.861935     0.871071 2.03327      1.23258  -0.306743    1.23118  1.11783  0.414634  0.71024  0.33402   
1 1 1 56 28 23 o 0.64951  0.298291  0.0293614    0.889912 0.492042     1.24     -0.462041    1.27791  0.777264 0.354927  0.675032 0.324495  
1 1 1 56 28 24 o 0.753476 0.324608  0.702447     0.8878   0.740262     1.27712  0.667085     1.23501  0.787004 0.359719  0.774466 0.353884  
1 1 1 56 28 25 f 0.652785 0.305691  0.0370703    0.997346 1.59299      1.4153   -1.49776     1.40567  0.894276 0.396523  0.598934 0.298013  
1 1 1 56 29 0  o 0.410693 0.288713  -0.731689    0.858025 -0.731689    0.858025 -0.731689    0.858025 0.320551 0.229319  ?        ?         
1 1 1 56 29 1  o 4.25704  0.0878708 18.2446      0.748138 17.6613      1.00683  18.9637      1.11792  4.17622  0.120544  4.32341  0.129287  
1 1 1 56 29 2  o 4.8028   0.093014  23.2414      0.893456 23.5652      1.25638  22.9102      1.27082  4.81883  0.130362  4.74955  0.133783  
1 1 1 56 29 3  o 3.69962  0.109582  13.8313      0.810823 13.3426      1.15165  14.3115      1.14177  3.61283  0.159383  3.74519  0.152431  
1 1 1 56 29 4  f 2.16017  0.173502  4.78985      0.749588 4.51794      1.04479  5.07828      1.07606  2.06834  0.252567  2.19631  0.244969  
1 1 1 56 29 5  o 1.97613  0.184903  4.02293      0.730784 4.32722      1.0553   3.74257      1.01297  2.02013  0.261197  1.875    0.270125  
1 1 1 56 29 6  o 3.30541  0.121534  11.0718      0.803441 11.243       1.14028  10.9031      1.13223  3.30879  0.172311  3.25766  0.17378   
1 1 1 56 29 7  o 3.19669  0.12285   10.3668      0.785426 10.8542      1.14345  9.93136      1.08073  3.24676  0.17609   3.10676  0.173931  
1 1 1 56 29 8  o 0.881379 0.326214  0.746136     0.762108 -0.617922    1.08807  2.05979      1.06778  0.706912 0.326701  1.31778  0.38263   
1 1 1 56 29 9  o 1.82559  0.213048  3.49716      0.777874 2.82417      1.1925   3.99562      1.02628  1.53157  0.38854   1.92592  0.266439  
1 1 1 56 29 10 o 1.91887  0.211593  3.87197      0.812038 3.92248      1.24295  3.83437      1.07258  1.83405  0.351389  1.87144  0.286566  
1 1 1 56 29 11 o 0.783883 0.313408  0.461096     0.742016 0.451005     1.11463  0.469127     0.994372 0.88284  0.371319  0.856242 0.354845  
1 1 1 56 29 12 o 1.90558  0.211487  3.83405      0.80601  4.6312       1.2396   3.25017      1.06089  2.03735  0.304218  1.67364  0.328655  
1 1 1 56 29 13 o 0.997403 0.328573  1.13646      0.759592 0.0762285    1.11577  2.05227      1.037    0.808079 0.355975  1.29203  0.377696  
1 1 1 56 29 14 o 1.4095   0.273795  2.25226      0.744282 1.08037      1.14201  3.11755      0.981315 1.00963  0.39303   1.63864  0.310695  
1 1 1 56 29 15 o 0.935653 0.334694  0.983102     0.79552  0.276045     1.09796  1.76446      1.15421  0.824727 0.358212  1.17427  0.404778  
1 1 1 56 29 16 o 1.05579  0.336431  1.36793      0.799103 0.854237     1.10094  1.9399       1.16171  0.929594 0.377583  1.20587  0.406341  
1 1 1 56 29 17 o 1.02228  0.342885  1.29604      0.827208 0.773296     1.16934  1.81971      1.17036  0.915769 0.38248   1.16101  0.406884  
1 1 1 56 29 18 o 1.15506  0.342629  1.70363      0.847653 2.26956      1.21098  1.15998      1.18691  1.26955  0.414868  0.990244 0.396186  
1 1 1 56 29 19 o 3.65293  0.148832  14.0311      1.08735  15.9972      1.52563  12.0013      1.55015  3.82701  0.199324  3.25673  0.237993  
1 1 1 56 29 20 o 0.843192 0.333981  0.836616     0.835158 0.56576      1.16128  1.12677      1.20195  0.828826 0.364147  0.9354   0.389041  
1 1 1 56 29 21 o 0.755263 0.320916  0.499497     0.846711 0.500086     1.21751  0.498945     1.17831  0.816572 0.364526  0.810721 0.360351  
1 1 1 56 29 22 o 0.810933 0.336311  0.836451     0.894218 1.94478      1.26794  -0.260344    1.26132  1.04161  0.411849  0.698403 0.332113  
1 1 1 56 29 23 o 1.04712  0.362576  1.82747      0.926978 0.592528     1.28685  3.15946      1.33645  0.77552  0.357218  1.25514  0.43528   
1 1 1 56 29 24 o 0.702971 0.317046  0.386577     0.943139 -0.231573    1.44979  0.840111     1.24183  0.70375  0.340018  0.800972 0.362384  
1 1 1 56 29 25 o 0.610947 0.292196  -0.0579706   1.00356  -0.399119    1.4105   0.291777     1.42816  0.634097 0.312298  0.687004 0.332971  
1 1 1 56 30 0  o 1.26916  0.4065    2.12958      0.906855 2.12958      0.906855 2.12958      0.906855 1.37532  0.260763  ?        ?         
1 1 1 56 30 1  o 2.38032  0.12363   5.74446      0.588556 5.1265       0.806429 6.44878      0.86093  2.23131  0.180707  2.50607  0.171769  
1 1 1 56 30 2  o 2.87225  0.135493  8.38902      0.778342 7.28415      1.12002  9.42095      1.08242  2.64494  0.21173   3.02515  0.178904  
1 1 1 56 30 3  o 2.34574  0.157006  5.62997      0.736591 6.15258      1.04704  5.1179       1.03643  2.42802  0.215617  2.20585  0.234927  
1 1 1 56 30 4  o 1.65665  0.220226  2.87362      0.729673 2.1021       1.02044  3.68083      1.04378  1.33991  0.369181  1.84866  0.282308  
1 1 1 56 30 5  o 1.86186  0.202697  3.61064      0.754787 2.55344      1.05106  4.73635      1.08459  1.47895  0.358549  2.10734  0.257335  
1 1 1 56 30 6  o 2.22161  0.168303  5.0825       0.747806 4.04689      1.10986  5.94355      1.01201  1.92982  0.287555  2.38228  0.212404  
1 1 1 56 30 7  o 0.743597 0.305267  0.313772     0.727335 0.231147     1.11548  0.374881     0.959309 0.846986 0.364364  0.831345 0.346775  
1 1 1 56 30 8  o 2.20435  0.178104  5.03644      0.785207 5.26517      1.19545  4.86288      1.04134  2.203    0.271323  2.13314  0.244086  
1 1 1 56 30 9  o 1.38317  0.284311  2.15781      0.759521 1.59689      1.18277  2.55143      0.990796 1.16251  0.408878  1.47312  0.342482  
1 1 1 56 30 10 o 2.445    0.163139  6.17472      0.797747 5.74032      1.20422  6.51445      1.06494  2.30057  0.261722  2.48281  0.214464  
1 1 1 56 30 11 o 2.29214  0.173014  5.4546       0.793144 5.61651      1.20857  5.33211      1.05118  2.2691   0.266311  2.23121  0.235561  
1 1 1 56 30 12 o 1.68837  0.229302  3.05266      0.774293 2.14357      1.20257  3.6964       1.01196  1.29877  0.4126    1.8302   0.276462  
1 1 1 56 30 13 o 3.73833  0.124066  14.2913      0.927598 12.5993      1.28206  16.15        1.34375  3.46377  0.185067  3.93563  0.170717  
1 1 1 56 30 14 o 0.688026 0.301473  0.0483874    0.791552 -0.692849    1.10369  0.833451     1.13585  0.679682 0.318874  0.940447 0.383008  
1 1 1 56 30 15 o 0.760973 0.317698  0.384355     0.806259 -0.47508     1.15721  1.19512      1.12396  0.717124 0.33352   1.00837  0.390452  
1 1 1 56 30 16 o 0.631606 0.288654  -0.271382    0.822068 0.146771     1.20796  -0.632118    1.12196  0.813216 0.363059  0.682941 0.320601  
1 1 1 56 30 17 o 0.808871 0.324216  0.615583     0.796941 0.899906     1.13808  0.342025     1.11633  0.929338 0.381744  0.818602 0.358358  
1 1 1 56 30 18 o 1.92651  0.220924  4.13013      0.851227 4.87325      1.16428  3.27676      1.24767  2.02256  0.287824  1.51576  0.404081  
1 1 1 56 30 19 o 1.6458   0.260074  3.18871      0.856059 3.24143      1.19113  3.13238      1.23116  1.49525  0.393093  1.44579  0.408021  
1 1 1 56 30 20 o 1.12053  0.343747  1.75051      0.843623 0.606903     1.16951  2.99112      1.2181   0.829174 0.364861  1.39178  0.410149  
1 1 1 56 30 21 o 0.538425 0.259986  -0.768479    0.843204 -1.26668     1.2299   -0.326629    1.15826  0.60697  0.297698  0.677381 0.320286  
1 1 1 56 30 22 o 0.655318 0.299839  0.111778     0.889891 -0.257287    1.24513  0.497132     1.27231  0.678796 0.324843  0.76747  0.354149  
1 1 1 56 30 23 o 2.2037   0.228348  5.85596      1.00642  3.85786      1.36125  8.26496      1.49467  1.42591  0.43649   2.46293  0.303435  
1 1 1 56 30 24 o 0.601697 0.288753  -0.244942    1.00128  -1.53735     1.46105  0.899584     1.37492  0.586605 0.293303  0.764212 0.358058  
1 1 1 56 31 0  o 3.84369  0.153528  15.0262      1.17595  15.0262      1.17595  15.0262      1.17595  3.86015  0.107896  ?        ?         
1 1 1 56 31 1  f 4.03829  0.0937796 16.4591      0.757418 16.7015      0.99503  16.125       1.16793  4.05477  0.122699  3.97067  0.147069  
1 1 1 56 31 2  o 1.36382  0.274864  2.06664      0.723429 1.53272      1.01296  2.62246      1.03352  1.1509   0.379434  1.49911  0.350611  
1 1 1 56 31 3  o 0.839195 0.310833  0.669999     0.692198 0.262228     0.999879 1.04528      0.959217 0.820142 0.348617  1.00118  0.366583  
1 1 1 56 31 4  o 0.701804 0.298248  0.143404     0.731529 0.716296     1.07713  -0.347063    0.996633 0.936624 0.3763    0.708854 0.32214   
1 1 1 56 31 5  f 3.37134  0.124499  11.567       0.839459 12.5105      1.24648  10.7839      1.1356   3.47354  0.179425  3.22716  0.175944  
1 1 1 56 31 6  o 0.939086 0.322982  0.955876     0.734514 1.40897      1.09784  0.588694     0.988294 1.10977  0.39356   0.883158 0.358114  
1 1 1 56 31 7  o 1.93529  0.20121   3.92949      0.778799 5.17072      1.20864  3.04825      1.0184   2.17477  0.277879  1.62516  0.324809  
1 1 1 56 31 8  o 4.46173  0.110023  20.205       0.981791 20.1324      1.54245  20.2545      1.27296  4.40431  0.175107  4.44457  0.143204  
1 1 1 56 31 9  o 1.92809  0.203262  3.91172      0.783813 5.30073      1.18947  2.84566      1.04206  2.20272  0.27      1.55071  0.345016  
1 1 1 56 31 10 o 2.22097  0.172486  5.12679      0.766172 4.28906      1.18983  5.72022      1.00143  1.95423  0.304424  2.32105  0.215728  
1 1 1 56 31 11 o 0.619416 0.283946  -0.374677    0.802253 1.79237      1.12164  -2.64446     1.14793  1.19765  0.399272  0.529735 0.264376  
1 1 1 56 31 12 o 1.52109  0.294505  2.67628      0.863959 2.28901      1.26896  3.01092      1.17958  1.31571  0.424429  1.54516  0.38311   
1 1 1 56 31 13 o 0.948659 0.339732  1.02969      0.819855 2.04142      1.18258  0.093413     1.13763  1.24161  0.409974  0.799116 0.354768  
1 1 1 56 31 14 f 0.646695 0.294682  -0.2456      0.846334 -0.790483    1.23458  0.237486     1.16247  0.701014 0.331088  0.820257 0.362082  
1 1 1 56 31 15 o 1.76406  0.237712  3.44436      0.838677 2.99712      1.19741  3.87506      1.17504  1.49753  0.394329  1.76621  0.344951  
1 1 1 56 31 16 o 0.59489  0.275575  -0.37803     0.780062 -0.773046    1.09234  0.0330527    1.11434  0.652555 0.309721  0.765711 0.345021  
1 1 1 56 31 17 o 1.5302   0.277582  2.80385      0.818228 1.52725      1.09747  4.40151      1.22775  1.04976  0.390877  1.84834  0.344948  
1 1 1 56 31 18 o 0.559747 0.265896  -0.5951      0.806598 -0.404992    1.12167  -0.798684    1.16074  0.682442 0.320402  0.650083 0.311712  
1 1 1 56 31 19 o 0.59395  0.278146  -0.368301    0.82588  -0.586881    1.15109  -0.136412    1.18562  0.663777 0.316378  0.724677 0.337247  
1 1 1 56 31 20 o 1.06418  0.349435  1.66015      0.859114 1.60318      1.23651  1.71331      1.19451  0.995728 0.401881  1.02344  0.401232  
1 1 1 56 31 21 o 0.921906 0.347868  1.33012      0.875313 0.303731     1.23548  2.36453      1.2403   0.742763 0.345124  1.11229  0.41526   
1 1 1 56 31 22 o 0.638432 0.295793  0.0203517    0.899179 0.19485      1.24393  -0.170607    1.30127  0.719416 0.337698  0.689888 0.330616  
1 1 1 56 31 23 o 0.753021 0.331837  0.758683     0.970726 1.06722      1.38684  0.462323     1.3592   0.807528 0.371496  0.737483 0.348034  
1 1 1 56 32 0  o 4.54108  0.124689  20.8559      1.13052  20.8559      1.13052  20.8559      1.13052  4.554    0.0878423 ?        ?         
1 1 1 56 32 1  o 0.468539 0.223556  -0.669569    0.578628 -0.884047    0.766037 -0.384613    0.882973 0.534107 0.255408  0.657451 0.299962  
1 1 1 56 32 2  o 2.19252  0.167694  4.96775      0.735344 6.02476      1.13095  4.19363      0.967857 2.37606  0.23799   1.97888  0.244546  
1 1 1 56 32 3  o 1.10642  0.311764  1.41244      0.719332 -0.55537     1.09932  2.88588      0.951252 0.712074 0.328818  1.58986  0.31023   
1 1 1 56 32 4  o 2.25227  0.17602   5.26448      0.792886 7.01166      1.22876  4.01798      1.03787  2.55992  0.24      1.92117  0.270114  
1 1 1 56 32 5  o 2.65703  0.160421  7.28381      0.852488 7.06204      1.30877  7.44724      1.12352  2.55638  0.255982  2.65686  0.211438  
1 1 1 56 32 6  o 1.66263  0.23535   2.95556      0.782597 2.14459      1.23459  3.50031      1.01186  1.3076   0.418325  1.78331  0.283704  
1 1 1 56 32 7  f 1.57229  0.251698  2.67227      0.791485 2.70801      1.22393  2.64657      1.03765  1.46987  0.404024  1.4871   0.353585  
1 1 1 56 32 8  o 2.03487  0.189179  4.33697      0.769911 4.48969      1.2063   4.232        1.0001   2.00145  0.301356  1.97469  0.253229  
1 1 1 56 32 9  o 3.28802  0.136573  11.0919      0.898111 9.06928      1.32799  12.7968      1.21921  2.90763  0.228363  3.50405  0.173972  
1 1 1 56 32 10 o 2.71573  0.167552  7.68353      0.910055 6.86637      1.3096   8.44666      1.26556  2.49626  0.262312  2.80242  0.225797  
1 1 1 56 32 11 o 2.53661  0.170328  6.72938      0.864111 5.90011      1.25515  7.47657      1.19141  2.29665  0.273256  2.62926  0.226568  
1 1 1 56 32 12 o 1.2556   0.345171  1.96677      0.893262 1.66715      1.35431  2.19748      1.18841  1.13232  0.431103  1.27837  0.410573  
1 1 1 56 32 13 o 1.07954  0.339648  1.45638      0.816685 2.27049      1.19837  0.750384     1.11596  1.28614  0.412212  0.904563 0.375456  
1 1 1 56 32 14 o 0.602235 0.279253  -0.404475    0.803569 -0.799025    1.11709  0.018618     1.15679  0.661033 0.313492  0.779309 0.351319  
1 1 1 56 32 15 o 2.6435   0.16108   7.36041      0.851629 7.40149      1.18966  7.31722      1.21967  2.5833   0.23026   2.55968  0.238247  
1 1 1 56 32 16 o 0.738279 0.311214  0.403429     0.785898 0.296418     1.07565  0.525964     1.15103  0.783008 0.346626  0.836463 0.365048  
1 1 1 56 32 17 o 1.13852  0.333604  1.74559      0.808092 1.97601      1.13109  1.50535      1.15491  1.14083  0.399982  1.01821  0.395474  
1 1 1 56 32 18 o 0.998525 0.343142  1.37913      0.828925 2.56949      1.18517  0.239197     1.1598   1.28142  0.409858  0.770228 0.349252  
1 1 1 56 32 19 f 1.14149  0.340109  1.85323      0.833979 1.58876      1.15778  2.13843      1.20233  1.00247  0.394444  1.12977  0.410733  
1 1 1 56 32 20 o 0.776036 0.326264  0.750816     0.859967 1.86963      1.26093  -0.222148    1.17587  1.00017  0.40494   0.674155 0.320623  
1 1 1 56 32 21 o 0.678049 0.304285  0.324123     0.858305 0.563815     1.21747  0.0872771    1.21022  0.760786 0.349186  0.701156 0.330161  
1 1 1 56 32 22 o 0.656927 0.303695  0.14457      0.94118  -0.0891937   1.25411  0.445995     1.42409  0.679732 0.325465  0.752087 0.355389  
1 1 1 56 33 0  o 3.88905  0.140064  15.368       1.08623  15.368       1.08623  15.368       1.08623  3.90467  0.0984952 ?        ?         
1 1 1 56 33 1  o 2.80506  0.117468  8.00434      0.65901  8.71933      0.901466 7.18361      0.965822 2.90936  0.154925  2.62507  0.183961  
1 1 1 56 33 2  o 2.95087  0.134378  8.90522      0.793063 9.52092      1.23121  8.46862      1.0368   3.0072   0.204711  2.8513   0.181812  
1 1 1 56 33 3  o 3.13006  0.128301  10.0021      0.803178 10.9694      1.24365  9.30997      1.05198  3.23677  0.192114  2.99289  0.175747  
1 1 1 56 33 4  o 1.76503  0.218343  3.30706      0.770765 4.16361      1.21181  2.72512      0.998851 1.92038  0.315513  1.51961  0.337527  
1 1 1 56 33 5  o 0.989526 0.332581  1.11201      0.778237 -0.143303    1.17278  2.09972      1.04028  0.788729 0.354751  1.3062   0.377156  
1 1 1 56 33 6  o 2.38242  0.164221  5.8836       0.782488 6.38938      1.20308  5.51276      1.03015  2.42827  0.247723  2.26966  0.226939  
1 1 1 56 33 7  o 2.14789  0.176299  4.8168       0.75734  4.79495      1.15978  4.83305      0.999981 2.07802  0.279059  2.11627  0.23626   
1 1 1 56 33 8  o 2.36229  0.178966  5.84761      0.845537 5.63371      1.1696   6.08177      1.22378  2.26387  0.258319  2.35052  0.260321  
1 1 1 56 33 9  o 1.47823  0.293029  2.5355       0.835528 3.25772      1.17468  1.79596      1.18868  1.61555  0.371143  1.18076  0.410412  
1 1 1 56 33 10 o 1.69885  0.241071  3.16578      0.81909  2.59718      1.19682  3.66676      1.1234   1.3987   0.404758  1.74198  0.334377  
1 1 1 56 33 11 o 0.577692 0.271163  -0.577953    0.801815 -0.34443     1.17254  -0.78307     1.09891  0.736812 0.339994  0.660106 0.312049  
1 1 1 56 33 12 o 1.4994   0.294441  2.66542      0.851497 2.48816      1.21706  2.83538      1.19174  1.34266  0.413077  1.45214  0.398466  
1 1 1 56 33 13 o 2.0632   0.198519  4.58154      0.819171 3.69206      1.16759  5.44382      1.14959  1.70954  0.353492  2.19189  0.262237  
1 1 1 56 33 14 o 1.03835  0.340717  1.38638      0.816778 0.476616     1.13553  2.36165      1.17571  0.836893 0.363904  1.28574  0.407915  
1 1 1 56 33 15 o 0.636388 0.287008  -0.0565625   0.772846 0.58596      1.09097  -0.703825    1.09498  0.834156 0.359608  0.647724 0.30869   
1 1 1 56 33 16 o 0.672955 0.298116  0.133004     0.797532 0.123379     1.11644  0.143033     1.13968  0.750128 0.340912  0.757837 0.344422  
1 1 1 56 33 17 o 0.670579 0.29992   0.0968571    0.827666 1.36026      1.1742   -1.15074     1.16683  0.973536 0.392161  0.613253 0.298395  
1 1 1 56 33 18 o 0.847761 0.332056  0.933877     0.81775  2.22823      1.14736  -0.402417    1.1658   1.16619  0.403421  0.676259 0.320496  
1 1 1 56 33 19 f 0.8634   0.340325  1.10339      0.863291 1.13197      1.2388   1.07641      1.20371  0.866021 0.378323  0.856196 0.373488  
1 1 1 56 33 20 o 0.707759 0.312436  0.480484     0.865659 0.925724     1.22028  0.0294338    1.22821  0.810575 0.363311  0.696581 0.329577  
1 1 1 56 33 21 o 0.640889 0.298168  0.034737     0.925916 1.04548      1.26844  -1.11813     1.35469  0.822241 0.369429  0.615551 0.303576  
1 1 1 56 33 22 o 0.76546  0.340993  1.03796      1.06041  2.15888      1.42329  -0.360511    1.58977  0.892583 0.39647   0.654585 0.324273  
1 1 1 56 34 0  o 1.30412  0.393477  2.24136      0.893257 2.24136      0.893257 2.24136      0.893257 1.41459  0.245395  ?        ?         
1 1 1 56 34 1  o 1.00985  0.279973  1.16717      0.58475  1.18729      0.731327 1.1315       0.973661 1.01201  0.321784  1.00819  0.369314  
1 1 1 56 34 2  o 2.45089  0.159345  6.21792      0.781074 6.51272      1.24189  6.02499      1.00466  2.445    0.253966  2.38224  0.210864  
1 1 1 56 34 3  o 1.10167  0.319708  1.43256      0.745668 1.39519      1.17617  1.45767      0.964205 1.09152  0.405002  1.10143  0.370191  
1 1 1 56 34 4  o 1.43537  0.274801  2.33802      0.760747 2.44962      1.20112  2.26326      0.983062 1.38011  0.407463  1.35932  0.357001  
1 1 1 56 34 5  o 0.726983 0.30815   0.234279     0.777509 -0.0692463   1.13924  0.498921     1.06377  0.782286 0.350825  0.864036 0.363047  
1 1 1 56 34 6  o 3.14404  0.137094  10.1704      0.862056 10.5259      1.22679  9.8237       1.21161  3.15404  0.194479  3.04301  0.199081  
1 1 1 56 34 7  o 1.35527  0.302351  2.16472      0.798471 1.73135      1.09616  2.65458      1.16544  1.16411  0.394711  1.43076  0.394681  
1 1 1 56 34 8  o 1.42027  0.289955  2.35704      0.795134 2.06155      1.10756  2.6713       1.14222  1.25217  0.39578   1.4325   0.388782  
1 1 1 56 34 9  o 0.791376 0.322062  0.516536     0.802538 -0.404742    1.17298  1.32735      1.10041  0.729745 0.337999  1.03849  0.390462  
1 1 1 56 34 10 o 1.65871  0.247519  3.06389      0.821122 3.34592      1.18406  2.80261      1.13969  1.61045  0.374388  1.45802  0.385067  
1 1 1 56 34 11 o 2.53362  0.169151  6.77002      0.85713  6.0557       1.19476  7.52755      1.23036  2.31881  0.257623  2.60915  0.235778  
1 1 1 56 34 12 o 0.724616 0.311744  0.250695     0.816668 0.0434407    1.19154  0.434308     1.12152  0.786335 0.355408  0.834372 0.362212  
1 1 1 56 34 13 o 2.0188   0.206223  4.46584      0.832643 3.82136      1.18094  5.10295      1.17416  1.71023  0.356922  2.08013  0.282233  
1 1 1 56 34 14 o 2.28217  0.187703  5.66488      0.856738 4.94194      1.20372  6.40709      1.21966  2.01089  0.299301  2.34198  0.26039   
1 1 1 56 34 15 o 1.94215  0.213195  4.23607      0.828111 2.9053       1.13422  5.75531      1.21188  1.40771  0.389809  2.18369  0.277484  
1 1 1 56 34 16 o 0.625393 0.286044  -0.127248    0.809079 0.807918     1.13877  -1.08051     1.14973  0.859186 0.368829  0.613642 0.297833  
1 1 1 56 34 17 o 0.506032 0.246475  -0.952082    0.802039 -0.960521    1.13122  -0.943552    1.13731  0.60947  0.295689  0.612518 0.296954  
1 1 1 56 34 18 o 0.615937 0.28429   -0.0531167   0.820485 -1.61686     1.14565  1.59347      1.17561  0.547116 0.271788  0.954547 0.389352  
1 1 1 56 34 19 o 0.931224 0.351348  1.4309       0.892836 1.06621      1.20252  1.87892      1.33283  0.832201 0.367693  0.96278  0.405542  
1 1 1 56 34 20 o 1.0221   0.36683   1.81483      0.956321 0.0125276    1.30591  3.89907      1.40433  0.702697 0.335416  1.38619  0.446429  
1 1 1 56 34 21 o 0.779826 0.341148  1.10569      1.01024  0.721748     1.44325  1.47453      1.41458  0.725531 0.347815  0.804158 0.371973  
1 1 1 56 35 0  o 0.477681 0.334124  -0.735945    1.12086  -0.735945    1.12086  -0.735945    1.12086  0.381904 0.270711  ?        ?         
1 1 1 56 35 1  o 2.19054  0.193013  5.07586      0.845603 2.70711      1.39784  6.443        1.06195  1.40693  0.444622  2.45048  0.216682  
1 1 1 56 35 2  o 2.4066   0.16744   6.04585      0.805924 6.7386       1.28299  5.59435      1.03578  2.46831  0.259893  2.27448  0.227695  
1 1 1 56 35 3  o 3.1604   0.141735  10.3067      0.895881 10.5284      1.24414  10.0679      1.2911   3.1481   0.197602  3.06634  0.210528  
1 1 1 56 35 4  o 0.964984 0.341644  1.07786      0.826998 1.43536      1.13372  0.671298     1.20901  1.08038  0.398247  0.917863 0.386416  
1 1 1 56 35 5  o 1.08792  0.341119  1.45498      0.824706 2.18086      1.13067  0.629766     1.20555  1.28502  0.398716  0.905644 0.383785  
1 1 1 56 35 6  o 1.40814  0.300697  2.35589      0.821984 1.9681       1.15768  2.75015      1.16731  1.21309  0.405634  1.44373  0.393566  
1 1 1 56 35 7  o 0.923151 0.341697  0.973389     0.836198 0.540313     1.2121   1.36668      1.15509  0.88161  0.379544  1.04828  0.398418  
1 1 1 56 35 8  o 0.851267 0.327723  0.757623     0.789444 -0.162743    1.14857  1.58176      1.08687  0.753342 0.343281  1.10145  0.391489  
1 1 1 56 35 9  f 0.81861  0.324956  0.644732     0.792231 -0.336199    1.11396  1.64862      1.12692  0.717462 0.33119   1.11459  0.398388  
1 1 1 56 35 10 o 0.957017 0.335053  1.11271      0.793441 0.876151     1.13512  1.33871      1.10951  0.925251 0.380855  1.02909  0.390667  
1 1 1 56 35 11 o 0.831565 0.325811  0.733808     0.787402 1.45186      1.10907  0.00402834   1.11809  1.04287  0.392017  0.755277 0.342671  
1 1 1 56 35 12 o 0.592166 0.2775    -0.453961    0.827231 -1.22988     1.18562  0.282093     1.15476  0.623541 0.302578  0.795905 0.355162  
1 1 1 56 35 13 f 1.7022   0.241159  3.33139      0.821003 1.24925      1.14343  5.54716      1.17956  0.963921 0.387526  2.15777  0.273328  
1 1 1 56 35 14 o 1.6338   0.255313  3.14485      0.834261 2.64257      1.13919  3.72576      1.22513  1.32287  0.398184  1.61297  0.384642  
1 1 1 56 35 15 f 1.75291  0.241251  3.58165      0.845783 3.47555      1.18577  3.69154      1.20674  1.54465  0.384805  1.5993   0.381972  
1 1 1 56 35 16 o 0.883419 0.332946  1.08728      0.801036 0.674892     1.12578  1.51017      1.14003  0.809098 0.356847  0.972713 0.388653  
1 1 1 56 35 17 o 0.410865 0.207723  -2.25386     0.839032 -2.40649     1.12317  -2.06115     1.26207  0.492262 0.248199  0.547528 0.273764  
1 1 1 56 35 18 o 0.602262 0.284174  -0.240059    0.905472 -1.13694     1.27361  0.676572     1.28756  0.601972 0.296472  0.779816 0.358413  
1 1 1 56 35 19 o 0.69954  0.315117  0.399583     0.928902 0.571802     1.30329  0.221769     1.32429  0.764451 0.354919  0.72675  0.343135  
1 1 1 56 35 20 o 0.91792  0.35664   1.68004      0.939389 0.722889     1.40289  2.45805      1.26481  0.724438 0.346235  0.984293 0.403061  
1 1 1 56 36 0  o 0.678844 0.431889  0.532327     1.24866  0.532327     1.24866  0.532327     1.24866  0.623633 0.381065  ?        ?         
1 1 1 56 36 1  o 3.28052  0.168649  11.3059      1.10651  10.572       1.50697  12.1644      1.62994  3.0918   0.243705  3.31354  0.245952  
1 1 1 56 36 2  o 1.16651  0.351314  1.72334      0.886623 2.03521      1.11901  1.19733      1.45325  1.23276  0.398654  1.03441  0.428848  
1 1 1 56 36 3  f 0.591385 0.277378  -0.569576    0.833175 -0.0521856   1.13485  -1.17453     1.22713  0.767008 0.346752  0.659423 0.317233  
1 1 1 56 36 4  o 2.68694  0.171738  7.61084      0.922902 7.85924      1.26078  7.32409      1.35463  2.67023  0.236081  2.54605  0.266027  
1 1 1 56 36 5  o 1.86387  0.241577  3.85144      0.900538 3.60183      1.24128  4.12881      1.30848  1.66619  0.380664  1.79217  0.376958  
1 1 1 56 36 6  o 2.11812  0.210374  4.86198      0.891194 5.1349       1.2349   4.56536      1.28742  2.10208  0.293732  1.9158   0.348913  
1 1 1 56 36 7  o 3.0145   0.152551  9.49412      0.919731 10.1557      1.31851  8.86717      1.28359  3.05303  0.215934  2.84186  0.225836  
1 1 1 56 36 8  o 1.62566  0.253109  2.97722      0.822938 3.36749      1.15637  2.57673      1.1714   1.61258  0.366727  1.36721  0.401988  
1 1 1 56 36 9  o 0.504671 0.245525  -1.07866     0.789463 -1.31058     1.14105  -0.865697    1.09341  0.609501 0.2961    0.63832  0.305218  
1 1 1 56 36 10 o 0.739507 0.314932  0.369954     0.818712 1.5011       1.2001   -0.614781    1.11974  1.03927  0.403244  0.667897 0.315399  
1 1 1 56 36 11 f 1.73812  0.235175  3.43999      0.817525 3.75495      1.15009  3.1183       1.16232  1.67936  0.353538  1.48112  0.387817  
1 1 1 56 36 12 o 1.32341  0.317912  2.28805      0.83218  2.20641      1.20223  2.36315      1.15307  1.18401  0.41263   1.23997  0.404826  
1 1 1 56 36 13 o 0.599762 0.278453  -0.278922    0.802169 2.05663      1.14547  -2.52663     1.12372  1.1479   0.40251   0.502223 0.252702  
1 1 1 56 36 14 o 0.631294 0.291294  -0.172741    0.860598 -0.828632    1.15259  0.653642     1.29375  0.634984 0.305957  0.844242 0.376352  
1 1 1 56 36 15 f 1.17878  0.342236  2.0522       0.854272 2.37484      1.16915  1.68263      1.25127  1.16571  0.40685   0.984797 0.401687  
1 1 1 56 36 16 o 0.765039 0.32741   0.705103     0.892561 -0.077499    1.23719  1.55454      1.28894  0.696905 0.330225  0.92925  0.395429  
1 1 1 56 36 17 o 0.603288 0.284242  -0.225203    0.899524 0.163054     1.27268  -0.612779    1.27156  0.718271 0.338323  0.643279 0.312531  
1 1 1 56 36 18 o 1.2493   0.348472  2.4515       0.903174 1.26277      1.32291  3.4893       1.23607  0.855669 0.381032  1.37568  0.414909  
1 1 1 56 36 19 o 0.64322  0.29559   0.331958     0.875408 -0.276626    1.24657  0.924116     1.22963  0.622445 0.30391   0.743133 0.344915  
1 1 1 56 37 0  o 2.54633  0.274886  7.14883      1.36263  7.14883      1.36263  7.14883      1.36263  2.61258  0.186587  ?        ?         
1 1 1 56 37 1  o 1.09799  0.356984  1.54396      0.896633 0.846724     1.28277  2.21004      1.25378  0.943561 0.39767   1.25494  0.422136  
1 1 1 56 37 2  o 1.37856  0.355446  2.43737      0.986032 1.34112      1.33228  3.76518      1.46625  1.04397  0.418886  1.62887  0.439782  
1 1 1 56 37 3  o 1.24086  0.36958   2.02238      0.984895 2.83901      1.30961  0.959185     1.4943   1.4156   0.427097  0.986449 0.422947  
1 1 1 56 37 4  o 0.596964 0.285027  -0.836358    0.944717 -0.370881    1.25447  -1.44622     1.4359   0.749653 0.34811   0.689727 0.33416   
1 1 1 56 37 5  o 1.36728  0.348342  2.39449      0.955471 2.63553      1.26744  2.07718      1.45422  1.35983  0.422185  1.19211  0.448737  
1 1 1 56 37 6  o 2.52968  0.191403  6.88862      0.968379 7.35278      1.3364   6.37547      1.40517  2.53363  0.263733  2.31158  0.303941  
1 1 1 56 37 7  o 1.81244  0.253744  3.75569      0.919793 3.86049      1.22533  3.62041      1.39215  1.70578  0.369586  1.56989  0.430621  
1 1 1 56 37 8  o 0.581659 0.275486  -0.624029    0.860114 -0.0666703   1.16257  -1.29803     1.27844  0.747104 0.3422    0.644482 0.313196  
1 1 1 56 37 9  o 1.09828  0.352416  1.65441      0.875727 2.13641      1.1886   1.0821       1.29518  1.18479  0.410535  0.94202  0.398427  
1 1 1 56 37 10 o 0.964451 0.347721  1.25845      0.860144 2.07468      1.19663  0.385871     1.23724  1.15367  0.410708  0.811359 0.364681  
1 1 1 56 37 11 o 2.03663  0.218907  4.69321      0.891668 4.85242      1.22979  4.51675      1.29473  1.95505  0.314518  1.80365  0.371629  
1 1 1 56 37 12 o 0.579341 0.278446  -0.779107    0.939936 -1.52972     1.36185  -0.0962636   1.29892  0.632028 0.311037  0.749423 0.350397  
1 1 1 56 37 13 o 1.17872  0.355295  2.03422      0.906573 2.0225       1.28539  2.04582      1.27881  1.0847   0.418058  1.09121  0.417904  
1 1 1 56 37 14 o 0.913854 0.351631  1.28939      0.908577 1.99114      1.25814  0.524527     1.31349  1.03688  0.410167  0.787872 0.362069  
1 1 1 56 37 15 o 0.644383 0.296917  0.054589     0.890056 -0.412064    1.24915  0.535844     1.26854  0.661823 0.318797  0.768712 0.354305  
1 1 1 56 37 16 o 0.677986 0.303878  0.319911     0.853667 -0.219439    1.24753  0.794852     1.17067  0.676818 0.324199  0.792218 0.355447  
1 1 1 56 37 17 o 0.58197  0.273661  -0.206811    0.825914 -0.776401    1.18474  0.331723     1.15199  0.605669 0.295835  0.714756 0.332553  
1 1 1 56 37 18 o 0.5472   0.263932  -0.373751    0.863155 -1.93534     1.22654  1.15837      1.21491  0.512274 0.258352  0.774234 0.35287   
1 1 1 56 38 0  o 0.553137 0.382166  -0.388457    1.33963  -0.388457    1.33963  -0.388457    1.33963  0.463122 0.320435  ?        ?         
1 1 1 56 38 1  o 0.90792  0.355297  0.950122     0.935793 0.713945     1.33528  1.17809      1.31186  0.908932 0.394912  0.989422 0.408655  
1 1 1 56 38 2  o 2.69812  0.191004  7.85724      1.0307   8.55869      1.47366  7.1855       1.44212  2.71616  0.271276  2.46056  0.293046  
1 1 1 56 38 3  o 1.43256  0.334972  2.63145      0.943541 2.1062       1.33849  3.15028      1.33029  1.18203  0.43301   1.45962  0.428137  
1 1 1 56 38 4  o 2.39677  0.199216  6.26649      0.95495  6.37805      1.35477  6.15632      1.34628  2.30829  0.293458  2.26265  0.297501  
1 1 1 56 38 5  o 0.625728 0.293179  -0.449736    0.921935 -0.699271    1.25919  -0.161405    1.35354  0.694742 0.331065  0.77646  0.360957  
1 1 1 56 38 6  o 0.967786 0.354143  1.23869      0.895107 1.33332      1.21012  1.12435      1.33012  0.991027 0.398566  0.954701 0.403777  
1 1 1 56 38 7  o 1.09247  0.365267  1.68463      0.938724 1.2137       1.24654  2.30157      1.42675  0.960159 0.397567  1.17944  0.444379  
1 1 1 56 38 8  o 2.48286  0.195076  6.79547      0.968694 8.05682      1.36706  5.52344      1.37284  2.60946  0.261943  2.06526  0.332364  
1 1 1 56 38 9  o 1.08544  0.359696  1.68342      0.910307 2.28677      1.25946  1.02347      1.31722  1.18745  0.421492  0.915969 0.395012  
1 1 1 56 38 10 o 0.493485 0.244917  -1.62942     0.919412 -2.92071     1.28467  -0.273546    1.3164   0.52751  0.265862  0.733849 0.3452    
1 1 1 56 38 11 o 0.629093 0.290914  -0.188222    0.86446  -0.658513    1.25465  0.236814     1.19276  0.675927 0.324097  0.76786  0.349877  
1 1 1 56 38 12 o 0.937001 0.356159  1.34354      0.923121 1.53962      1.37795  1.18389      1.24338  0.951267 0.406948  0.892483 0.384319  
1 1 1 56 38 13 o 1.00764  0.355498  1.62978      0.894726 1.8159       1.33311  1.47722      1.20694  0.97885  0.408579  0.926347 0.387849  
1 1 1 56 38 14 o 0.805318 0.333893  0.928572     0.881042 2.18042      1.23221  -0.380823    1.26022  1.04723  0.408135  0.662018 0.319213  
1 1 1 56 38 15 o 0.511273 0.249478  -0.879933    0.835382 -1.54368     1.21468  -0.284234    1.15073  0.563761 0.280029  0.654892 0.313136  
1 1 1 56 38 16 o 0.698906 0.309212  0.496986     0.854274 1.08577      1.26872  0.008625     1.15546  0.816699 0.368062  0.671134 0.318542  
1 1 1 56 38 17 o 0.836622 0.339973  1.31419      0.892949 2.41292      1.3109   0.363051     1.21967  0.960669 0.403304  0.678835 0.324056  
1 1 1 56 39 0  o 1.44994  0.555404  3.57836      1.51376  3.57836      1.51376  3.57836      1.51376  1.69167  0.360157  ?        ?         
1 1 1 56 39 1  o 0.674232 0.309564  -0.157986    0.957751 -0.463719    1.37596  0.129362     1.33395  0.74036  0.349621  0.800676 0.366662  
1 1 1 56 39 2  o 0.948263 0.360869  1.18776      0.948627 0.0760034    1.34072  2.30229      1.3424   0.793725 0.365197  1.19665  0.434103  
1 1 1 56 39 3  o 2.02737  0.244475  4.74296      0.991286 5.47784      1.42091  4.04615      1.38362  2.01385  0.366319  1.64737  0.418878  
1 1 1 56 39 4  o 0.693605 0.313593  0.0439306    0.928363 0.0556138    1.32556  0.0326833    1.3006   0.783525 0.36153   0.776032 0.358087  
1 1 1 56 39 5  o 1.69345  0.28057   3.47805      0.95026  3.15675      1.29979  3.84694      1.39276  1.41676  0.4251    1.57093  0.430631  
1 1 1 56 39 6  o 0.83987  0.340684  0.81878      0.894883 2.29508      1.23624  -0.806341    1.29706  1.19557  0.418257  0.679687 0.326777  
1 1 1 56 39 7  o 2.26863  0.207249  5.75888      0.940344 5.85526      1.30433  5.65456      1.35693  2.16454  0.301295  2.09481  0.323878  
1 1 1 56 39 8  o 1.77659  0.25145   3.72324      0.893449 2.41531      1.19733  5.36651      1.34208  1.22727  0.412523  2.02359  0.331607  
1 1 1 56 39 9  o 1.5484   0.302685  3.08427      0.903922 2.60281      1.20655  3.70021      1.36469  1.26525  0.414108  1.50908  0.430768  
1 1 1 56 39 10 o 0.725162 0.317076  0.437618     0.871803 0.583743     1.26489  0.305389     1.20325  0.804068 0.364657  0.758458 0.347708  
1 1 1 56 39 11 o 2.20619  0.207183  5.63699      0.91417  5.88665      1.26901  5.36766      1.31805  2.10201  0.301855  1.91408  0.35758   
1 1 1 56 39 12 o 0.903432 0.356518  1.32342      0.948421 1.12526      1.40045  1.49129      1.28901  0.852759 0.385375  0.911242 0.391833  
1 1 1 56 39 13 o 0.674335 0.305914  0.267232     0.890851 -0.90953     1.24958  1.48351      1.27039  0.615181 0.301257  0.902087 0.388463  
1 1 1 56 39 14 o 0.781679 0.329868  0.83002      0.88452  -0.612423    1.21621  2.44965      1.28874  0.631996 0.306611  1.08941  0.418866  
1 1 1 56 39 15 o 0.982922 0.356024  1.74323      0.902632 0.37027      1.34323  2.87368      1.21885  0.71605  0.341405  1.15604  0.414207  
1 1 1 56 40 0  o 0.483737 0.346351  -1.12841     1.39205  -1.12841     1.39205  -1.12841     1.39205  0.390323 0.281653  ?        ?         
1 1 1 56 40 1  o 3.17161  0.173599  10.8932      1.10118  8.73795      1.57282  12.9654      1.54223  2.65479  0.296223  3.36756  0.228983  
1 1 1 56 40 2  o 0.857289 0.350244  0.87434      0.952846 0.894951     1.28099  0.848811     1.42565  0.890673 0.386887  0.895872 0.397507  
1 1 1 56 40 3  o 1.74714  0.287041  3.75009      1.003    2.73548      1.35337  4.98642      1.49394  1.27582  0.438453  1.82089  0.41871   
1 1 1 56 40 4  o 1.12443  0.367593  1.84622      0.950717 2.35822      1.35813  1.35424      1.3313   1.17838  0.43561   0.970007 0.406791  
1 1 1 56 40 5  o 0.891375 0.354388  1.03898      0.943576 0.40308      1.32822  1.6869       1.34071  0.816147 0.371163  1.02899  0.417163  
1 1 1 56 40 6  o 0.795922 0.340379  0.623051     0.963448 0.417077     1.33721  0.845395     1.38933  0.815667 0.371337  0.880749 0.3914    
1 1 1 56 40 7  o 3.13295  0.170701  10.7184      1.06959  11.0755      1.53014  10.3772      1.49572  3.04047  0.251628  2.93729  0.254609  
1 1 1 56 40 8  o 2.41747  0.208716  6.7429       1.00913  4.39374      1.41904  9.14641      1.43536  1.59975  0.432968  2.71228  0.264603  
1 1 1 56 40 9  o 1.19526  0.362431  2.25413      0.941484 2.51203      1.3356   1.9994       1.32736  1.12745  0.428446  1.01956  0.414439  
1 1 1 56 40 10 o 1.69527  0.275516  3.72042      0.934149 3.36652      1.31123  4.08517      1.33117  1.32961  0.431693  1.51864  0.42288   
1 1 1 56 40 11 o 2.12376  0.237691  5.54687      1.0096   5.81827      1.38968  5.24352      1.46922  1.93181  0.372995  1.7136   0.42921   
1 1 1 56 40 12 o 1.33962  0.362636  2.82788      0.995337 1.77398      1.41617  3.85669      1.39922  0.946428 0.408881  1.4045   0.444942  
1 1 1 56 40 13 o 0.647157 0.29612   0.170288     0.868086 0.465815     1.24785  -0.106859    1.20842  0.739128 0.344749  0.670885 0.320808  
1 1 1 56 40 14 o 0.594112 0.279534  -0.0120366   0.864202 -0.107657    1.15493  0.109616     1.3027   0.628646 0.303688  0.665739 0.321766  
1 1 1 56 41 0  o 1.28018  0.532716  2.99875      1.35383  2.99875      1.35383  2.99875      1.35383  1.51466  0.364755  ?        ?         
1 1 1 56 41 1  o 2.51889  0.199675  7.1119       1.00592  6.5394       1.46736  7.61949      1.38167  2.21783  0.33081   2.48649  0.277837  
1 1 1 56 41 2  o 1.73891  0.272834  3.72057      0.948864 4.83607      1.30944  2.48719      1.37689  1.84373  0.368135  1.17386  0.437671  
1 1 1 56 41 3  o 0.809054 0.338099  0.774516     0.914503 1.36365      1.24213  0.0772001    1.35137  0.942492 0.39396   0.760274 0.355992  
1 1 1 56 41 4  o 0.779815 0.334165  0.666819     0.931884 1.05538      1.2773   0.224622     1.3626   0.877243 0.383682  0.770615 0.359752  
1 1 1 56 41 5  o 0.921185 0.35824   1.31989      0.948292 0.733694     1.27588  2.04337      1.41743  0.815798 0.368299  1.02809  0.424713  
1 1 1 56 41 6  f 1.54802  0.326587  3.37016      0.979633 3.2908       1.31314  3.46976      1.47109  1.33509  0.431863  1.30589  0.456315  
1 1 1 56 41 7  o 0.725323 0.321575  0.474065     0.930517 0.295591     1.30992  0.655862     1.32206  0.749314 0.350794  0.794915 0.364442  
1 1 1 56 41 8  o 1.47421  0.336085  3.18711      0.969255 3.08757      1.3829   3.28323      1.35889  1.21666  0.440677  1.27551  0.439248  
1 1 1 56 41 9  o 0.608746 0.289727  -0.298851    0.96173  -1.29789     1.33784  0.769539     1.38349  0.603938 0.298767  0.797454 0.368486  
1 1 1 56 41 10 o 0.709846 0.322365  0.363702     0.994177 -0.599689    1.39545  1.35672      1.41675  0.669667 0.325986  0.882128 0.393522  
1 1 1 56 41 11 o 1.54521  0.34633   3.62064      1.04366  2.3396       1.47597  4.90161      1.47594  1.00979  0.426122  1.5979   0.44539   
1 1 1 56 41 12 o 0.583341 0.28004   -0.32007     0.943785 -0.572696    1.30139  -0.0398054   1.37073  0.625093 0.306472  0.676199 0.32738   
1 1 1 56 41 13 o 0.729949 0.32098   0.82173      0.903857 1.91719      1.21865  -0.51769     1.34754  0.893639 0.382513  0.618231 0.304472  
1 1 1 56 42 0  o 0.495622 0.350456  -0.561965    1.30654  -0.561965    1.30654  -0.561965    1.30654  0.417169 0.294917  ?        ?         
1 1 1 56 42 1  o 1.4064   0.337751  2.88437      0.939496 3.52452      1.36802  2.31295      1.29249  1.35989  0.440885  1.0882   0.419252  
1 1 1 56 42 2  o 1.63487  0.305031  3.62972      0.960276 4.83066      1.36974  2.46895      1.34663  1.71829  0.40477   1.10571  0.427538  
1 1 1 56 42 3  o 0.690737 0.311088  0.307579     0.904831 0.263755     1.23474  0.35841      1.32979  0.735138 0.342906  0.757347 0.35427   
1 1 1 56 42 4  o 0.828815 0.341804  1.00328      0.915991 1.30091      1.28535  0.696136     1.3057   0.880941 0.385098  0.793268 0.363057  
1 1 1 56 42 5  o 0.681741 0.311259  0.23314      0.953224 1.48318      1.34003  -1.04733     1.35624  0.901387 0.393627  0.627083 0.308883  
1 1 1 56 42 6  o 1.14698  0.368842  2.21349      0.958881 3.24969      1.33468  1.10813      1.37851  1.26399  0.435315  0.839227 0.380638  
1 1 1 56 42 7  o 0.774501 0.335854  0.764162     0.962255 1.24429      1.314    0.208909     1.41306  0.864481 0.382848  0.74182  0.352173  
1 1 1 56 42 8  o 1.11871  0.373832  2.13353      0.983264 1.57866      1.34576  2.76895      1.44013  0.91723  0.397456  1.12106  0.440295  
1 1 1 56 42 9  o 1.08349  0.379343  2.12259      1.01708  2.65222      1.39437  1.52041      1.4868   1.08429  0.430892  0.880973 0.397658  
1 1 1 56 42 10 o 0.829381 0.348986  1.21456      0.985302 0.975253     1.39336  1.45392      1.39349  0.779939 0.363983  0.838798 0.381119  
1 1 1 56 42 11 o 0.698772 0.317288  0.634795     0.962314 0.761145     1.33097  0.496397     1.39298  0.725959 0.343293  0.702883 0.338104  
1 1 1 56 43 0  o 0.867377 0.498786  1.89912      1.35926  1.89912      1.35926  1.89912      1.35926  0.993606 0.450912  ?        ?         
1 1 1 56 43 1  o 0.740205 0.324904  0.606755     0.922679 0.952421     1.31186  0.268363     1.29798  0.819951 0.371638  0.733518 0.344433  
1 1 1 56 43 2  o 0.65304  0.302966  0.050904     0.947379 -0.931302    1.34152  1.02809      1.33808  0.632534 0.310453  0.832205 0.376359  
1 1 1 56 43 3  o 0.692545 0.314619  0.304948     0.948828 -1.01191     1.3307   1.66687      1.35328  0.625257 0.307625  0.93127  0.400982  
1 1 1 56 43 4  o 0.766393 0.329594  0.728087     0.912253 1.45643      1.3067   0.0355647    1.27416  0.902582 0.391385  0.709536 0.335696  
1 1 1 56 43 5  o 0.57439  0.277053  -0.584685    0.951255 0.718216     1.34579  -1.88562     1.34477  0.790104 0.364457  0.5695   0.284493  
1 1 1 56 43 6  o 0.543942 0.265444  -0.839403    0.946549 -0.736459    1.32267  -0.947467    1.35517  0.636496 0.311284  0.626671 0.308679  
1 1 1 56 43 7  o 1.43612  0.347363  3.24034      0.988262 4.16945      1.4088   2.34017      1.38669  1.4051   0.446599  0.999561 0.416933  
1 1 1 56 43 8  o 1.63179  0.324681  4.06925      1.02202  3.80557      1.41585  4.35611      1.47678  1.23525  0.446045  1.32599  0.457782  
1 1 1 56 43 9  o 0.483019 0.241509  -1.54008     0.994767 -1.55858     1.44301  -1.52333     1.37321  0.56938  0.286492  0.560527 0.281185  
1 1 1 56 44 0  o 0.573319 0.393174  0.249603     1.37004  0.249603     1.37004  0.249603     1.37004  0.523832 0.350007  ?        ?         
1 1 1 56 44 1  o 0.714867 0.32097   0.523506     0.956079 0.679954     1.39639  0.385444     1.31177  0.769323 0.360523  0.731103 0.344108  
1 1 1 56 44 2  o 0.728004 0.32513   0.614331     0.969509 0.656295     1.37478  0.572816     1.36743  0.760215 0.356518  0.750643 0.352729  
1 1 1 56 44 3  o 0.58395  0.281065  -0.39771     0.966255 -0.26262     1.39492  -0.522323    1.33973  0.668607 0.325551  0.640409 0.313219  
1 1 1 56 44 4  o 0.766156 0.33416   0.924395     0.963261 -0.423873    1.37182  2.23569      1.35289  0.643336 0.315186  0.953363 0.405387  
1 1 1 56 44 5  o 1.36156  0.37155   3.32913      1.0397   2.85537      1.46347  3.81192      1.47734  0.995501 0.422408  1.17177  0.449052  
1 1 1 56 44 6  o 0.728408 0.325503  0.81209      0.973014 -0.0602339   1.37681  1.68248      1.37529  0.654547 0.319549  0.833366 0.378643  
1 1 1 57 0  0  o 4.74387  0.136751  22.5923      1.29502  22.5923      1.29502  22.5923      1.29502  4.7485   0.0965115 ?        ?         
1 1 1 57 0  1  o 2.07731  0.167222  4.40749      0.684386 4.40749      0.684386 4.40749      0.684386 2.0886   0.116684  ?        ?         
1 1 1 57 0  2  o 1.66662  0.219662  2.92928      0.703773 2.92928      0.703773 2.92928      0.703773 1.69044  0.149905  ?        ?         
1 1 1 57 0  3  o 2.60163  0.141145  6.83855      0.729473 6.83855      0.729473 6.83855      0.729473 2.6084   0.0992014 ?        ?         
1 1 1 57 0  4  o 1.67839  0.208652  2.95469      0.676005 2.95469      0.676005 2.95469      0.676005 1.69976  0.142935  ?        ?         
1 1 1 57 0  5  o 4.24837  0.105463  18.0987      0.894842 18.0987      0.894842 18.0987      0.894842 4.25131  0.0744696 ?        ?         
1 1 1 57 0  6  o 2.60841  0.148705  6.8828       0.769998 6.8828       0.769998 6.8828       0.769998 2.61603  0.104442  ?        ?         
1 1 1 57 0  7  o 2.38417  0.165992  5.78037      0.782693 5.78037      0.782693 5.78037      0.782693 2.39437  0.116197  ?        ?         
1 1 1 57 0  8  o 7.16982  0.104768  51.4927      1.50161  51.4927      1.50161  51.4927      1.50161  7.17283  0.0740331 ?        ?         
1 1 1 57 0  9  o 0.415044 0.282164  -0.30021     0.678887 -0.30021     0.678887 -0.30021     0.678887 0.331983 0.22917   ?        ?         
1 1 1 57 0  10 o 2.65756  0.144382  7.13998      0.762232 7.13998      0.762232 7.13998      0.762232 2.6649   0.10146   ?        ?         
1 1 1 57 0  11 o 4.76604  0.112151  22.7837      1.0677   22.7837      1.0677   22.7837      1.0677   4.76965  0.079193  ?        ?         
1 1 1 57 0  12 o 1.55744  0.236461  2.60048      0.68553  2.60048      0.68553  2.60048      0.68553  1.58786  0.156103  ?        ?         
1 1 1 57 0  13 o 2.3306   0.176991  5.54613      0.814053 5.54613      0.814053 5.54613      0.814053 2.34306  0.123621  ?        ?         
1 1 1 57 0  14 o 2.08936  0.217131  4.53247      0.88489  4.53247      0.88489  4.53247      0.88489  2.10993  0.15002   ?        ?         
1 1 1 57 0  15 o 3.22373  0.14241   10.4841      0.914108 10.4841      0.914108 10.4841      0.914108 3.23089  0.100249  ?        ?         
1 1 1 57 0  16 o 0.787211 0.401714  0.938277     0.788717 0.938277     0.788717 0.938277     0.788717 0.807731 0.342631  ?        ?         
1 1 1 57 0  17 o 3.10384  0.155774  9.74697      0.961439 9.74697      0.961439 9.74697      0.961439 3.11298  0.109502  ?        ?         
1 1 1 57 0  18 o 1.53401  0.332908  2.69504      0.894513 2.69504      0.894513 2.69504      0.894513 1.59762  0.205591  ?        ?         
1 1 1 57 0  19 o 1.91702  0.251156  3.9022       0.925985 3.9022       0.925985 3.9022       0.925985 1.9479   0.171108  ?        ?         
1 1 1 57 0  20 o 3.40479  0.151424  11.7143      1.02649  11.7143      1.02649  11.7143      1.02649  3.41371  0.106547  ?        ?         
1 1 1 57 0  21 o 1.01807  0.435297  1.52527      0.898702 1.52527      0.898702 1.52527      0.898702 1.10135  0.33155   ?        ?         
1 1 1 57 0  22 f 3.76888  0.153405  14.3635      1.15198  14.3635      1.15198  14.3635      1.15198  3.77944  0.107963  ?        ?         
1 1 1 57 0  23 o 0.554661 0.367694  -0.103189    1.02773  -0.103189    1.02773  -0.103189    1.02773  0.463571 0.308022  ?        ?         
1 1 1 57 0  24 o 2.93455  0.19621   8.82985      1.13976  8.82985      1.13976  8.82985      1.13976  2.95321  0.137124  ?        ?         
1 1 1 57 0  25 o 0.719946 0.435226  0.641023     1.12463  0.641023     1.12463  0.641023     1.12463  0.668661 0.382593  ?        ?         
1 1 1 57 0  26 o 0.685612 0.423512  0.503552     1.11439  0.503552     1.11439  0.503552     1.11439  0.624554 0.370577  ?        ?         
1 1 1 57 0  27 o 0.405391 0.292893  -1.52483     1.08176  -1.52483     1.08176  -1.52483     1.08176  0.307324 0.225582  ?        ?         
1 1 1 57 0  28 o 0.644057 0.410935  0.314194     1.13758  0.314194     1.13758  0.314194     1.13758  0.571183 0.356225  ?        ?         
1 1 1 57 0  29 o 0.52679  0.359193  -0.35616     1.11124  -0.35616     1.11124  -0.35616     1.11124  0.432636 0.296983  ?        ?         
1 1 1 57 0  30 o 0.66551  0.417586  0.485772     1.12652  0.485772     1.12652  0.485772     1.12652  0.607826 0.366901  ?        ?         
1 1 1 57 0  31 o 1.12643  0.495048  2.09502      1.15819  2.09502      1.15819  2.09502      1.15819  1.26176  0.373651  ?        ?         
1 1 1 57 0  32 o 0.714588 0.434029  0.801253     1.13032  0.801253     1.13032  0.801253     1.13032  0.691326 0.387972  ?        ?         
1 1 1 57 0  33 o 1.01542  0.502081  1.95892      1.2141   1.95892      1.2141   1.95892      1.2141   1.14848  0.410428  ?        ?         
1 1 1 57 0  34 o 0.439374 0.317406  -1.37481     1.26843  -1.37481     1.26843  -1.37481     1.26843  0.347652 0.253182  ?        ?         
1 1 1 57 0  35 o 0.609517 0.410195  0.384558     1.37953  0.384558     1.37953  0.384558     1.37953  0.562314 0.367046  ?        ?         
1 1 1 57 0  36 o 0.555493 0.388554  -0.185268    1.51585  -0.185268    1.51585  -0.185268    1.51585  0.487306 0.338339  ?        ?         
1 1 1 57 1  0  o 6.40166  0.0953256 41.0388      1.21987  41.0388      1.21987  41.0388      1.21987  6.4039   0.067365  ?        ?         
1 1 1 57 1  1  o 3.96505  0.0741758 15.7357      0.588221 15.7162      0.829395 15.7554      0.834366 3.96079  0.104701  3.9657   0.105198  
1 1 1 57 1  2  o 3.95671  0.0754245 15.6702      0.596865 15.1402      0.851096 16.1832      0.837264 3.88716  0.109475  4.0192   0.104158  
1 1 1 57 1  3  o 5.00856  0.069358  25.1059      0.694767 24.8077      0.97615  25.4121      0.989074 4.97668  0.0980724 5.03693  0.0981823 
1 1 1 57 1  4  o 5.40264  0.0696418 29.213       0.752499 28.5696      1.033    29.9405      1.0984   5.34071  0.0967098 5.467    0.100457  
1 1 1 57 1  5  o 4.86307  0.0716057 23.6711      0.696448 22.489       0.961984 24.973       1.00959  4.7379   0.10152   4.99274  0.101106  
1 1 1 57 1  6  o 3.42095  0.082221  11.7174      0.562548 11.7521      0.802312 11.6839      0.788982 3.4238   0.117167  3.41398  0.115552  
1 1 1 57 1  7  o 4.5536   0.0792577 20.7602      0.721815 21.0557      1.00375  20.4437      1.03875  4.5834   0.109499  4.51576  0.115014  
1 1 1 57 1  8  o 8.71152  0.0840788 75.9974      1.46491  73.3615      1.98351  79.1605      2.1728   8.55372  0.115944  8.88404  0.122287  
1 1 1 57 1  9  o 2.21857  0.119288  4.93645      0.529297 5.13164      0.768453 4.76025      0.730097 2.25864  0.170114  2.17554  0.167797  
1 1 1 57 1  10 o 0.986054 0.262309  1.02149      0.526465 1.09345      0.736633 0.946357     0.752694 1.03549  0.321934  0.985014 0.327077  
1 1 1 57 1  11 o 3.574    0.0881674 12.7962      0.630221 13.4566      0.920315 12.2131      0.864807 3.66174  0.125666  3.48861  0.123947  
1 1 1 57 1  12 o 1.60694  0.162822  2.59916      0.523291 2.4334       0.748382 2.75774      0.731982 1.54883  0.241595  1.65067  0.221723  
1 1 1 57 1  13 o 5.38515  0.0813271 29.0519      0.875917 29.5775      1.20774  28.4686      1.27224  5.4295   0.11122   5.32538  0.119451  
1 1 1 57 1  14 o 2.30322  0.135062  5.3328       0.622155 6.19248      0.8993   4.54363      0.861629 2.47678  0.181546  2.11904  0.203306  
1 1 1 57 1  15 o 2.49081  0.119237  6.23136      0.593993 7.2631       0.883758 5.38123      0.802216 2.68378  0.164648  2.30899  0.173715  
1 1 1 57 1  16 o 2.22733  0.133557  4.99059      0.594952 3.94128      0.83337  6.08129      0.849643 1.97042  0.21147   2.45362  0.173141  
1 1 1 57 1  17 o 3.72237  0.0997873 13.9058      0.742891 14.8258      1.06583  13.0365      1.03602  3.83703  0.138887  3.59711  0.144007  
1 1 1 57 1  18 o 2.18375  0.146277  4.80608      0.638865 3.73678      0.891491 5.93495      0.91599  1.91402  0.232884  2.42024  0.189235  
1 1 1 57 1  19 o 2.11957  0.150661  4.53312      0.638673 5.98398      0.91034  3.12678      0.896264 2.42927  0.187369  1.74547  0.25674   
1 1 1 57 1  20 o 3.99441  0.0968444 16.0216      0.773674 16.8246      1.1151   15.2761      1.07432  4.08492  0.136489  3.89204  0.138015  
1 1 1 57 1  21 o 1.63427  0.203966  2.727        0.666672 1.87467      0.931125 3.62352      0.954959 1.30619  0.349471  1.87309  0.254916  
1 1 1 57 1  22 o 0.665057 0.287884  -0.0362595   0.704645 -0.0455559   0.974401 -0.0260685   1.02021  0.775658 0.337185  0.796501 0.345614  
1 1 1 57 1  23 o 2.56975  0.146104  6.68855      0.750899 7.67014      1.08638  5.7906       1.03907  2.73707  0.198456  2.37218  0.219011  
1 1 1 57 1  24 o 3.5621   0.122218  12.8142      0.870706 12.1095      1.19541  13.6104      1.27078  3.44558  0.17347   3.65267  0.173951  
1 1 1 57 1  25 o 1.99663  0.197318  4.10273      0.787941 3.43777      1.1459   4.69912      1.08521  1.75737  0.33809   2.11641  0.25638   
1 1 1 57 1  26 o 2.21031  0.185503  5.01532      0.820035 4.5304       1.13988  5.5355       1.1806   2.06861  0.275518  2.29477  0.257237  
1 1 1 57 1  27 o 1.86606  0.209703  3.61724      0.782639 4.08211      1.08104  3.10523      1.13453  1.95551  0.276409  1.64743  0.354491  
1 1 1 57 1  28 o 0.917073 0.335269  0.843098     0.802073 -0.314767    1.11919  2.06569      1.15005  0.758441 0.343537  1.30829  0.401349  
1 1 1 57 1  29 o 1.83921  0.224041  3.59245      0.824113 3.88712      1.17345  3.30566      1.15765  1.832    0.33252   1.66825  0.357314  
1 1 1 57 1  30 o 0.643805 0.289382  -0.177794    0.779132 -1.04299     1.10825  0.667713     1.09557  0.647791 0.309156  0.910409 0.374355  
1 1 1 57 1  31 o 1.19377  0.334544  1.7627       0.83051  2.30954      1.16531  1.19824      1.18395  1.31281  0.404263  1.01671  0.399248  
1 1 1 57 1  32 o 0.770688 0.320134  0.446726     0.812294 0.93119      1.1531   -0.0305048   1.14446  0.939796 0.384847  0.766622 0.347311  
1 1 1 57 1  33 o 0.926998 0.350593  1.10652      0.890777 1.24567      1.29022  0.97977      1.23134  0.97191  0.403577  0.917865 0.388361  
1 1 1 57 1  34 o 0.677415 0.308134  0.0122604    0.916446 -0.358264    1.31952  0.357544     1.27379  0.723402 0.341956  0.801496 0.364227  
1 1 1 57 1  35 o 0.562185 0.273215  -0.812431    0.973067 -0.161181    1.37825  -1.45968     1.37401  0.709601 0.340109  0.607306 0.301001  
1 1 1 57 1  36 o 0.811055 0.349636  1.00217      1.03123  0.510052     1.47439  1.47348      1.44288  0.764239 0.361357  0.875955 0.393763  
1 1 1 57 2  0  o 4.55082  0.100895  20.7588      0.917288 20.7588      0.917288 20.7588      0.917288 4.5535   0.0712616 ?        ?         
1 1 1 57 2  1  o 1.40203  0.175677  1.97629      0.492608 1.15073      0.691251 2.82816      0.702182 1.05422  0.308431  1.67525  0.209575  
1 1 1 57 2  2  o 7.89632  0.073974  62.4121      1.16825  63.25        1.62827  61.5232      1.67711  7.94559  0.102464  7.83572  0.107017  
1 1 1 57 2  3  o 10.2005  0.082378  104.177      1.6806   101.947      2.33858  106.559      2.4168   10.0847  0.115947  10.31    0.117206  
1 1 1 57 2  4  o 7.02156  0.069324  49.3456      0.973525 49.8754      1.38961  48.835       1.36429  7.05597  0.0984703 6.98209  0.097699  
1 1 1 57 2  5  o 4.97273  0.0720389 24.7522      0.716461 25.5837      1.0021   23.8827      1.02473  5.05336  0.0991521 4.88193  0.104951  
1 1 1 57 2  6  o 4.80956  0.0752597 23.1573      0.723932 23.6886      0.999622 22.5714      1.04981  4.8621   0.102797  4.7453   0.110616  
1 1 1 57 2  7  o 1.349    0.185646  1.83237      0.500872 2.12173      0.681007 1.4914       0.739254 1.44864  0.23505   1.18787  0.308478  
1 1 1 57 2  8  o 5.03425  0.0766171 25.3744      0.771419 24.5965      1.10211  26.1215      1.08013  4.9532   0.111252  5.10507  0.10579   
1 1 1 57 2  9  o 2.74112  0.106068  7.53183      0.581492 7.9556       0.860424 7.17556      0.788928 2.8136   0.152905  2.67255  0.147598  
1 1 1 57 2  10 o 7.09799  0.0827477 50.4597      1.17468  51.662       1.65354  49.2348      1.66908  7.17687  0.115199  7.00553  0.119126  
1 1 1 57 2  11 o 4.53328  0.08171   20.584       0.740829 19.9846      1.03462  21.2147      1.06127  4.46314  0.115907  4.59852  0.115393  
1 1 1 57 2  12 o 5.55095  0.0802857 30.8656      0.891324 31.2442      1.20066  30.4007      1.33033  5.58117  0.107564  5.50313  0.120871  
1 1 1 57 2  13 o 3.78861  0.0937588 14.3894      0.710432 13.8757      1.01885  14.8755      0.991127 3.71519  0.13712   3.84791  0.128788  
1 1 1 57 2  14 o 3.2379   0.10104   10.5162      0.654318 10.4317      0.892238 10.6146      0.962435 3.22054  0.138523  3.24732  0.148189  
1 1 1 57 2  15 o 5.11263  0.0848137 26.1995      0.867242 26.9836      1.18488  25.2949      1.27276  5.18353  0.114293  5.01624  0.126864  
1 1 1 57 2  16 o 2.22955  0.137859  5.00442      0.614726 4.29084      0.880182 5.68394      0.858917 2.05467  0.21419   2.37025  0.181187  
1 1 1 57 2  17 o 3.08375  0.11277   9.55281      0.695509 9.82073      0.981112 9.28215      0.986104 3.11989  0.157235  3.03221  0.162605  
1 1 1 57 2  18 o 0.827045 0.293369  0.621715     0.610058 0.536539     0.845183 0.714361     0.881464 0.871789 0.338374  0.933049 0.349731  
1 1 1 57 2  19 o 5.27433  0.0877849 27.9048      0.926012 28.6902      1.31559  27.1336      1.30365  5.33987  0.123186  5.19237  0.125535  
1 1 1 57 2  20 o 3.71997  0.101762  13.9093      0.757101 16.6176      1.11477  11.5905      1.03148  4.05768  0.137365  3.38521  0.152351  
1 1 1 57 2  21 o 1.91216  0.181364  3.71922      0.693594 4.39901      0.99001  3.06392      0.972017 2.06654  0.239533  1.71468  0.28344   
1 1 1 57 2  22 o 3.82009  0.108542  14.6928      0.829281 14.6918      1.17127  14.6937      1.1743   3.80688  0.153836  3.80701  0.154229  
1 1 1 57 2  23 o 2.47342  0.1545    6.20861      0.764287 6.62356      1.0711   5.77818      1.0909   2.53836  0.210983  2.36457  0.230677  
1 1 1 57 2  24 o 2.52481  0.167473  6.49969      0.845672 5.68285      1.21052  7.27837      1.18191  2.32957  0.259818  2.65224  0.222814  
1 1 1 57 2  25 o 0.854265 0.324606  0.615666     0.766598 0.350882     1.08517  0.879439     1.0831   0.882251 0.368468  1.00101  0.384239  
1 1 1 57 2  26 o 0.803574 0.323541  0.412562     0.798684 0.926051     1.14228  -0.0785925   1.11716  1.01905  0.39382   0.808203 0.356092  
1 1 1 57 2  27 o 2.60142  0.16375   6.9355       0.851964 6.61686      1.13791  7.34198      1.28521  2.51334  0.226373  2.63805  0.243592  
1 1 1 57 2  28 o 1.09667  0.331341  1.38638      0.787832 0.306887     1.08549  2.58798      1.14523  0.850567 0.362442  1.46132  0.386032  
1 1 1 57 2  29 o 1.262    0.316255  1.85717      0.797359 1.7614       1.14676  1.94681      1.10944  1.20094  0.403717  1.25628  0.395995  
1 1 1 57 2  30 o 1.39498  0.303007  2.2776       0.821701 3.99932      1.13962  0.413246     1.18588  1.87399  0.304063  0.874091 0.375844  
1 1 1 57 2  31 o 0.445774 0.222014  -1.77024     0.789295 -2.38709     1.10308  -1.12305     1.12987  0.522236 0.260425  0.633388 0.304633  
1 1 1 57 2  32 o 0.765936 0.319721  0.44649      0.816368 0.998286     1.19089  -0.0426966   1.12129  0.947917 0.390126  0.752327 0.341842  
1 1 1 57 2  33 o 0.816655 0.337189  0.70573      0.892685 0.394241     1.26113  1.01852      1.26376  0.816121 0.367427  0.917587 0.39104   
1 1 1 57 2  34 o 0.925143 0.355572  1.21889      0.928481 2.42014      1.35992  0.170003     1.27075  1.16496  0.434844  0.765751 0.353576  
1 1 1 57 2  35 o 0.634738 0.2988    -0.143811    0.989851 -0.281529    1.41439  -0.0116088   1.38577  0.694612 0.335644  0.715732 0.342562  
1 1 1 57 2  36 o 0.484354 0.243713  -1.87808     1.04871  -2.43935     1.41166  -1.18683     1.56661  0.537128 0.271534  0.625681 0.311778  
1 1 1 57 3  0  o 4.04533  0.104476  16.4139      0.844006 16.4139      0.844006 16.4139      0.844006 4.04838  0.0737641 ?        ?         
1 1 1 57 3  1  o 5.267    0.0694287 27.7661      0.731362 27.6247      1.05379  27.8975      1.01586  5.25102  0.100341  5.27727  0.0962487 
1 1 1 57 3  2  o 4.16966  0.0752483 17.4045      0.62752  17.9129      0.882622 16.8849      0.892353 4.22805  0.104377  4.10458  0.108702  
1 1 1 57 3  3  f 2.6899   0.100223  7.24937      0.539182 7.28317      0.757798 7.2147       0.767329 2.69368  0.140662  2.68081  0.143115  
1 1 1 57 3  4  o 15.9073  0.117399  253.719      3.73499  252.62       5.25852  254.838      5.30596  15.8518  0.165865  15.9208  0.166636  
1 1 1 57 3  5  o 1.4566   0.174485  2.13451      0.508309 1.71275      0.692422 2.62744      0.748574 1.27445  0.279295  1.61236  0.232137  
1 1 1 57 3  6  o 9.40632  0.0829807 88.6024      1.56109  88.4985      2.1914   88.7095      2.22439  9.39447  0.116633  9.4053   0.118252  
1 1 1 57 3  7  o 4.63826  0.0765277 21.5397      0.70991  21.4079      1.02091  21.663       0.987839 4.62105  0.110463  4.64893  0.106244  
1 1 1 57 3  8  o 4.31052  0.0796102 18.6059      0.686322 19.0901      1.00462  18.1821      0.939827 4.36305  0.115128  4.25851  0.110347  
1 1 1 57 3  9  o 6.57228  0.0735823 43.2479      0.967207 41.2905      1.36666  45.212       1.36901  6.41755  0.106479  6.71611  0.10192   
1 1 1 57 3  10 o 4.2027   0.083973  17.6927      0.705827 17.1837      1.04635  18.1178      0.956122 4.13736  0.126451  4.25001  0.112485  
1 1 1 57 3  11 o 6.65596  0.0843279 44.384       1.12257  42.7428      1.61521  45.9174      1.56126  6.52485  0.123774  6.76457  0.1154    
1 1 1 57 3  12 o 3.52861  0.0984259 12.4849      0.694613 12.0684      0.969088 12.9249      0.996132 3.46456  0.139857  3.58552  0.13891   
1 1 1 57 3  13 o 5.32271  0.0832583 28.3893      0.886319 28.6827      1.30051  28.1349      1.21115  5.344    0.121679  5.29405  0.114387  
1 1 1 57 3  14 o 3.92045  0.0926905 15.4115      0.726777 14.7331      1.01102  16.1369      1.04548  3.8278   0.132063  4.00627  0.13048   
1 1 1 57 3  15 o 3.50512  0.0964284 12.3248      0.675986 12.409       0.968835 12.245       0.94364  3.51114  0.137966  3.4883   0.135258  
1 1 1 57 3  16 o 3.42071  0.105036  11.7477      0.718596 10.3786      0.990838 13.2669      1.04372  3.20775  0.154444  3.6288   0.14381   
1 1 1 57 3  17 o 1.99689  0.156691  4.02364      0.625788 3.14646      0.877494 4.93149      0.892698 1.75356  0.250203  2.20398  0.20252   
1 1 1 57 3  18 o 7.64643  0.0923212 58.6661      1.41186  58.1711      2.01601  59.1425      1.97787  7.60036  0.132626  7.66499  0.12902   
1 1 1 57 3  19 o 0.866771 0.293953  0.732888     0.607959 0.204814     0.870468 1.23581      0.849484 0.794597 0.330816  1.08755  0.346907  
1 1 1 57 3  20 o 1.64938  0.196369  2.77333      0.647776 2.37827      0.907338 3.18403      0.925108 1.47956  0.315905  1.75399  0.263716  
1 1 1 57 3  21 o 2.97238  0.124789  8.91154      0.741839 8.8513       1.06639  8.96804      1.03266  2.94831  0.180847  2.9697   0.173866  
1 1 1 57 3  22 o 2.76679  0.133924  7.73685      0.74108  8.17432      1.03823  7.28243      1.05814  2.83084  0.183379  2.6675   0.198339  
1 1 1 57 3  23 o 2.59614  0.153802  6.84335      0.798585 6.88391      1.17238  6.80823      1.09077  2.58064  0.22715   2.5718   0.212064  
1 1 1 57 3  24 o 2.23858  0.186717  5.14117      0.835961 3.92628      1.18574  6.34175      1.17874  1.91469  0.309644  2.46669  0.238932  
1 1 1 57 3  25 o 2.23056  0.176001  5.09335      0.785162 5.58471      1.09699  4.57724      1.12429  2.3139   0.237043  2.08208  0.269991  
1 1 1 57 3  26 o 3.40436  0.132629  11.7682      0.903036 11.9231      1.29181  11.6202      1.26286  3.39979  0.189983  3.35736  0.188073  
1 1 1 57 3  27 f 1.50923  0.283062  2.52397      0.822879 5.04657      1.0955   -0.742074    1.24652  2.17836  0.251452  0.746743 0.346854  
1 1 1 57 3  28 o 0.57942  0.270322  -0.562391    0.767807 -0.102509    1.0573   -1.07552     1.11683  0.765899 0.340861  0.654613 0.31187   
1 1 1 57 3  29 o 1.50467  0.282722  2.56118      0.819497 2.78437      1.15121  2.33189      1.16684  1.50184  0.382206  1.36134  0.401504  
1 1 1 57 3  30 o 0.795263 0.322081  0.503376     0.798058 -0.39679     1.0953   1.52206      1.16518  0.715777 0.329647  1.10666  0.404142  
1 1 1 57 3  31 o 0.655392 0.294501  -0.0982971   0.806328 -0.702418    1.11139  0.573105     1.17164  0.671448 0.316236  0.877266 0.375269  
1 1 1 57 3  32 o 1.07531  0.345431  1.52744      0.841182 1.96487      1.22384  1.13573      1.1581   1.15554  0.414952  0.960139 0.388347  
1 1 1 57 3  33 o 0.662906 0.302174  -0.061374    0.891598 -0.852862    1.25747  0.738836     1.26438  0.66529  0.320318  0.865078 0.380022  
1 1 1 57 3  34 o 0.775887 0.334546  0.67482      0.94452  -0.0170757   1.29895  1.4511       1.37588  0.727122 0.342289  0.931634 0.402763  
1 1 1 57 3  35 o 1.24061  0.379363  2.59717      1.02862  2.83976      1.4496   2.35115      1.45982  1.13018  0.442222  1.03347  0.429221  
1 1 1 57 3  36 o 0.619342 0.299513  -0.167616    1.135    -0.26171     1.47771  -0.032243    1.77245  0.65055  0.320413  0.687273 0.340936  
1 1 1 57 4  0  o 2.33798  0.164524  5.56114      0.760558 5.56114      0.760558 5.56114      0.760558 2.34827  0.11514   ?        ?         
1 1 1 57 4  1  f 5.57845  0.0698676 31.1491      0.779507 31.9231      1.09451  30.3523      1.11044  5.64484  0.0969477 5.50379  0.10088   
1 1 1 57 4  2  o 3.08019  0.0898673 9.50273      0.553616 9.67096      0.771727 9.32438      0.794639 3.10508  0.124268  3.04847  0.130334  
1 1 1 57 4  3  o 3.79842  0.0777801 14.4455      0.590884 13.6373      0.830496 15.2739      0.840871 3.68822  0.112588  3.90368  0.107703  
1 1 1 57 4  4  o 11.0912  0.0888661 123.211      1.97126  122.498      2.77263  123.939      2.80318  11.0504  0.125454  11.115   0.126099  
1 1 1 57 4  5  o 4.21726  0.0792759 17.8084      0.668654 16.834       0.934502 18.8305      0.957144 4.09747  0.114034  4.334    0.110423  
1 1 1 57 4  6  o 7.62878  0.0760125 58.2691      1.15977  56.3471      1.60269  60.382       1.68038  7.49752  0.106881  7.76108  0.108257  
1 1 1 57 4  7  o 2.53067  0.103678  6.41931      0.52475  7.84307      0.827494 5.46165      0.67866  2.79391  0.148089  2.33167  0.145531  
1 1 1 57 4  8  o 7.81904  0.0764828 61.2192      1.19604  61.6155      1.71137  60.8409      1.67223  7.8389   0.109159  7.78983  0.107334  
1 1 1 57 4  9  o 1.97858  0.129463  3.93064      0.512304 4.31411      0.763472 3.61656      0.690957 2.06854  0.184543  1.89412  0.182395  
1 1 1 57 4  10 o 1.9473   0.137401  3.81053      0.535119 3.91172      0.784668 3.72256      0.731655 1.96774  0.199383  1.92042  0.190493  
1 1 1 57 4  11 o 3.32801  0.0984815 11.1056      0.655496 11.4333      1.02169  10.8763      0.854558 3.37065  0.151557  3.29028  0.129861  
1 1 1 57 4  12 o 1.79935  0.162675  3.26273      0.585417 3.53547      0.893876 3.05788      0.774671 1.86478  0.239673  1.73617  0.223098  
1 1 1 57 4  13 o 1.48428  0.198006  2.2298       0.587793 2.13575      0.934425 2.29138      0.756129 1.40969  0.335764  1.47608  0.265822  
1 1 1 57 4  14 o 2.53333  0.127252  6.45218      0.644742 6.13109      0.955793 6.72029      0.873376 2.46058  0.194221  2.57998  0.16926   
1 1 1 57 4  15 o 2.37334  0.135081  5.66989      0.641189 5.26373      0.913982 6.0635       0.899743 2.27769  0.200637  2.44745  0.183812  
1 1 1 57 4  16 o 3.72995  0.10411   13.9664      0.776648 13.8324      1.01848  14.1527      1.20052  3.70658  0.137389  3.74467  0.160297  
1 1 1 57 4  17 o 3.98429  0.0950465 15.9305      0.757385 16.3233      1.04835  15.5017      1.0954   4.0269   0.130169  3.92232  0.139637  
1 1 1 57 4  18 o 1.73135  0.182809  3.03794      0.633012 3.83135      0.915804 2.31209      0.875953 1.93543  0.23659   1.46666  0.308375  
1 1 1 57 4  19 o 1.66787  0.191456  2.83236      0.638646 2.27721      0.907202 3.37778      0.899216 1.44638  0.322002  1.81062  0.248317  
1 1 1 57 4  20 o 2.79824  0.127626  7.89634      0.714254 8.5051       1.03093  7.33439      0.990499 2.89255  0.178204  2.68454  0.184482  
1 1 1 57 4  21 o 0.809691 0.306709  0.527355     0.682629 0.390216     0.978929 0.657158     0.952384 0.868242 0.35491   0.925209 0.359175  
1 1 1 57 4  22 o 0.670279 0.291201  -0.0500189   0.725936 0.640184     1.05569  -0.669126    0.999842 0.946535 0.375312  0.680537 0.314001  
1 1 1 57 4  23 o 2.5293   0.160846  6.51016      0.813656 4.66592      1.14745  8.37533      1.15394  2.10749  0.272231  2.85454  0.202124  
1 1 1 57 4  24 o 1.44935  0.280002  2.28714      0.782672 2.48212      1.08742  2.07756      1.1274   1.47432  0.369241  1.34518  0.394     
1 1 1 57 4  25 o 1.71933  0.231925  3.08191      0.797508 2.57431      1.1682   3.52497      1.0914   1.49038  0.388129  1.81363  0.30089   
1 1 1 57 4  26 o 2.28842  0.182664  5.39127      0.836026 4.56757      1.12703  6.39906      1.24663  2.07032  0.272188  2.46066  0.253313  
1 1 1 57 4  27 o 1.96227  0.213762  4.04108      0.838921 3.90669      1.10172  4.22653      1.29421  1.89152  0.291226  1.91183  0.351636  
1 1 1 57 4  28 o 0.561472 0.26415   -0.688355    0.771317 0.189818     1.06126  -1.67162     1.12297  0.81669  0.353408  0.597136 0.290992  
1 1 1 57 4  29 o 1.37439  0.296732  2.1845       0.792464 2.14592      1.08383  2.22882      1.16163  1.30811  0.387311  1.32272  0.402881  
1 1 1 57 4  30 o 0.843593 0.33401   0.673452     0.835007 -0.279492    1.17027  1.66174      1.19178  0.749579 0.343333  1.13244  0.4092    
1 1 1 57 4  31 o 0.568102 0.26707   -0.579805    0.785601 -1.38098     1.09592  0.267064     1.12674  0.594672 0.289301  0.810881 0.357399  
1 1 1 57 4  32 o 1.09362  0.351133  1.62646      0.869266 3.11535      1.2279   0.13061      1.23076  1.46024  0.405992  0.784529 0.356918  
1 1 1 57 4  33 o 0.592286 0.280972  -0.555604    0.897933 1.0359       1.28902  -2.05593     1.25155  0.911378 0.391861  0.568137 0.282483  
1 1 1 57 4  34 o 0.700809 0.315955  0.314672     0.935815 2.35463      1.31079  -1.80597     1.33647  1.09523  0.422158  0.581564 0.289538  
1 1 1 57 4  35 o 1.28862  0.394929  2.908        1.11392  3.1181       1.50215  2.65131      1.66034  1.16665  0.451458  1.04108  0.446082  
1 1 1 57 5  0  o 12.5458  0.14434   157.794      3.62063  157.794      3.62063  157.794      3.62063  12.5537  0.101984  ?        ?         
1 1 1 57 5  1  f 2.22163  0.120907  4.95041      0.53722  4.7749       0.753855 5.13151      0.765773 2.17852  0.17302   2.25868  0.169518  
1 1 1 57 5  2  o 4.21468  0.074919  17.784       0.631519 17.9357      0.884902 17.6266      0.901535 4.23032  0.10459   4.19344  0.107493  
1 1 1 57 5  3  o 6.46528  0.0700925 41.8426      0.906336 41.155       1.25717  42.5867      1.30784  6.40885  0.0980804 6.51907  0.100309  
1 1 1 57 5  4  o 6.10608  0.0710573 37.3239      0.867763 37.5615      1.25288  37.1048      1.20305  6.12204  0.102325  6.08515  0.098851  
1 1 1 57 5  5  f 5.59915  0.0720114 31.3856      0.806405 31.8751      1.1513   30.9142      1.12986  5.63951  0.102075  5.5539   0.101717  
1 1 1 57 5  6  f 2.03196  0.127019  4.14375      0.516194 4.59341      0.791712 3.81125      0.680795 2.13508  0.185406  1.94563  0.174955  
1 1 1 57 5  7  o 1.31136  0.186192  1.73353      0.488329 1.08623      0.711933 2.30868      0.671079 1.02855  0.31583   1.5108   0.222093  
1 1 1 57 5  8  o 7.47129  0.0778603 55.9031      1.16343  55.7689      1.63559  56.0405      1.65528  7.4569   0.109669  7.47483  0.110724  
1 1 1 57 5  9  o 2.54198  0.106722  6.48085      0.542571 6.24111      0.785578 6.69952      0.750263 2.4902   0.157734  2.58128  0.145327  
1 1 1 57 5  10 o 5.11283  0.0769009 26.184       0.786363 25.0535      1.09901  27.37        1.12564  4.99703  0.109966  5.22329  0.107752  
1 1 1 57 5  11 o 5.22228  0.0787382 27.3213      0.822385 26.3954      1.17727  28.2038      1.14929  5.1279   0.11479   5.30174  0.108388  
1 1 1 57 5  12 f 3.22163  0.0955452 10.4079      0.615623 10.5404      0.877411 10.2794      0.863988 3.23751  0.135507  3.19722  0.135116  
1 1 1 57 5  13 o 3.15753  0.102771  10.0042      0.649006 9.8704       1.01179  10.0977      0.845977 3.12828  0.161716  3.16841  0.133502  
1 1 1 57 5  14 o 1.95337  0.161348  3.8508       0.630345 4.38567      0.927674 3.39203      0.859151 2.07583  0.223447  1.82382  0.235536  
1 1 1 57 5  15 o 1.30431  0.252563  1.79539      0.635328 1.52585      0.939134 2.02284      0.862703 1.19889  0.361668  1.37096  0.320129  
1 1 1 57 5  16 o 3.46681  0.104594  12.0682      0.725216 12.9429      0.963592 10.9254      1.10138  3.58541  0.134377  3.28798  0.167487  
1 1 1 57 5  17 o 2.32434  0.136124  5.44252      0.632799 6.08687      0.90161  4.81697      0.888363 2.45057  0.183959  2.17665  0.204067  
1 1 1 57 5  18 f 1.25789  0.263068  1.68856      0.640386 2.46472      0.912946 0.936757     0.898511 1.51177  0.312561  0.998845 0.355859  
1 1 1 57 5  19 o 3.43964  0.110337  11.9038      0.759037 12.6225      1.04495  11.101       1.1044   3.53342  0.147866  3.30871  0.166893  
1 1 1 57 5  20 o 3.08726  0.115626  9.60178      0.713933 10.3722      1.01511  8.84767      1.00429  3.19825  0.158697  2.95082  0.170171  
1 1 1 57 5  21 o 1.16741  0.303769  1.48975      0.715948 1.35108      1.06788  1.60297      0.964936 1.13888  0.389585  1.20826  0.367026  
1 1 1 57 5  22 o 3.49037  0.119308  12.2939      0.832857 13.3213      1.27019  11.519       1.10309  3.61395  0.175734  3.36488  0.163912  
1 1 1 57 5  23 o 3.0098   0.136322  9.18135      0.820603 9.50561      1.14876  8.84348      1.17263  3.04407  0.188688  2.93159  0.199998  
1 1 1 57 5  24 o 1.4191   0.277054  2.19266      0.758283 1.98505      1.03513  2.43309      1.11395  1.3183   0.374803  1.45517  0.379032  
1 1 1 57 5  25 o 1.0795   0.337885  1.29376      0.809617 0.605554     1.16402  1.93868      1.12683  0.95013  0.387469  1.29228  0.397447  
1 1 1 57 5  26 o 1.38346  0.292866  2.13511      0.7855   2.2939       1.05674  1.93905      1.17426  1.39958  0.37132   1.28239  0.407745  
1 1 1 57 5  27 o 0.743677 0.312308  0.240328     0.786503 0.751994     1.10573  -0.283647    1.11895  0.948025 0.381105  0.759211 0.343713  
1 1 1 57 5  28 o 1.48301  0.281826  2.47916      0.805712 3.84877      1.11099  0.959609     1.17022  1.85865  0.29887   0.997505 0.395265  
1 1 1 57 5  29 f 0.917517 0.332455  0.919918     0.787139 0.137904     1.04971  1.92454      1.18977  0.790645 0.346799  1.22302  0.411218  
1 1 1 57 5  30 o 0.708826 0.310205  0.115302     0.835946 0.236473     1.17999  -0.00678565  1.18444  0.823643 0.364031  0.786501 0.354976  
1 1 1 57 5  31 o 1.53415  0.277326  2.77147      0.819729 1.37592      1.11816  4.39294      1.20528  1.03147  0.392007  1.91     0.315517  
1 1 1 57 5  32 o 0.713379 0.312024  0.264862     0.844805 1.10426      1.17387  -0.636976    1.21675  0.932075 0.385864  0.68116  0.324809  
1 1 1 57 5  33 o 0.807262 0.33667   0.712142     0.903969 0.54851      1.29573  0.867304     1.26175  0.82768  0.372543  0.873609 0.381723  
1 1 1 57 5  34 o 0.596401 0.285177  -0.422055    0.954606 -1.57856     1.29304  0.963397     1.41525  0.580058 0.288233  0.831206 0.379402  
1 1 1 57 5  35 o 0.540485 0.267647  -1.27148     1.08043  -0.648804    1.38915  -2.22488     1.71891  0.648939 0.317753  0.610528 0.307667  
1 1 1 57 6  0  o 3.93299  0.112786  15.5275      0.885525 15.5275      0.885525 15.5275      0.885525 3.93676  0.0796008 ?        ?         
1 1 1 57 6  1  f 2.58039  0.102908  6.67351      0.531088 6.72526      0.744989 6.62004      0.757306 2.58763  0.143952  2.56702  0.147507  
1 1 1 57 6  2  o 0.972409 0.252642  0.994365     0.495709 0.951166     0.690303 1.04036      0.712291 0.975146 0.312889  1.01207  0.316956  
1 1 1 57 6  3  o 5.61839  0.0724186 31.6026      0.813752 30.7078      1.14043  32.5308      1.1615   5.53506  0.103018  5.69713  0.101937  
1 1 1 57 6  4  o 4.93572  0.0717787 24.3895      0.70856  23.792       1.02269  24.9411      0.982619 4.87172  0.104962  4.98871  0.0984842 
1 1 1 57 6  5  o 0.721698 0.262788  0.433417     0.492337 0.941657     0.772498 0.0857594    0.638909 0.986475 0.331352  0.673406 0.282079  
1 1 1 57 6  6  o 3.10261  0.087013  9.6436       0.539935 9.29662      0.760634 9.99601      0.766567 3.04337  0.124966  3.15609  0.121442  
1 1 1 57 6  7  f 4.2649   0.0770333 18.2164      0.657078 18.0975      0.912751 18.3442      0.946675 4.24801  0.107433  4.27648  0.110684  
1 1 1 57 6  8  o 2.29329  0.115088  5.27761      0.527861 5.04032      0.765203 5.49306      0.72912  2.23648  0.171073  2.33626  0.156044  
1 1 1 57 6  9  o 3.66139  0.0865521 13.4338      0.633803 12.6282      0.891085 14.2587      0.901675 3.54589  0.12565   3.76862  0.119629  
1 1 1 57 6  10 o 6.62293  0.0753951 43.9357      0.998674 43.8817      1.43484  43.9864      1.39086  6.6131   0.108485  6.62169  0.105023  
1 1 1 57 6  11 o 2.45304  0.114831  6.04156      0.563369 5.76292      0.813016 6.29894      0.781375 2.3901   0.17008   2.50049  0.156245  
1 1 1 57 6  12 o 3.02358  0.0998345 9.17128      0.603715 9.41258      0.865861 8.94299      0.842194 3.05804  0.141571  2.98082  0.141269  
1 1 1 57 6  13 o 4.72503  0.0850566 22.382       0.803791 22.906       1.14026  21.8644      1.13324  4.77413  0.119421  4.66391  0.12149   
1 1 1 57 6  14 o 5.38759  0.0852746 29.1021      0.918849 28.6388      1.30324  29.56        1.29569  5.33713  0.122092  5.42291  0.119465  
1 1 1 57 6  15 o 2.57409  0.127759  6.66543      0.657726 6.27074      0.984214 6.98395      0.884143 2.48627  0.19793   2.62906  0.168148  
1 1 1 57 6  16 o 4.51687  0.091072  20.469       0.82272  21.3402      1.16904  19.6142      1.15804  4.60487  0.126935  4.41377  0.131185  
1 1 1 57 6  17 o 3.67982  0.101487  13.5985      0.746905 13.5977      1.01654  13.5993      1.10109  3.67292  0.138383  3.6706   0.149987  
1 1 1 57 6  18 o 3.8168   0.0981527 14.6378      0.749258 14.3593      1.03539  14.9439      1.08561  3.77185  0.137252  3.84686  0.141104  
1 1 1 57 6  19 o 0.650246 0.278018  0.0193412    0.642502 0.220741     0.89699  -0.192868    0.920746 0.804349 0.335406  0.728856 0.321925  
1 1 1 57 6  20 o 0.869814 0.309648  0.709673     0.680187 0.824775     1.01302  0.615178     0.917863 0.984591 0.373435  0.904734 0.352321  
1 1 1 57 6  21 o 1.58504  0.225018  2.59037      0.713324 0.844577     1.02062  4.2575       0.997362 0.988869 0.374899  2.02576  0.246169  
1 1 1 57 6  22 o 2.44166  0.158096  6.06208      0.772033 6.58109      1.13024  5.6081       1.05707  2.52305  0.223982  2.32804  0.22703   
1 1 1 57 6  23 o 0.963231 0.326654  0.960713     0.750746 0.908064     1.08132  1.00971      1.04314  1.00879  0.384879  1.02814  0.381426  
1 1 1 57 6  24 o 1.28496  0.301508  1.83001      0.762347 0.737309     1.04489  3.07368      1.11474  0.95678  0.375229  1.65182  0.348302  
1 1 1 57 6  25 o 2.35094  0.179485  5.68354      0.843915 5.4097       1.16064  5.99073      1.22927  2.26128  0.256634  2.37872  0.258389  
1 1 1 57 6  26 o 0.777365 0.321402  0.324193     0.812781 -0.809958    1.11677  1.60152      1.18517  0.691275 0.323672  1.1794   0.409819  
1 1 1 57 6  27 o 2.08667  0.194423  4.55436      0.811391 4.07679      1.13508  5.05337      1.16029  1.9202   0.295565  2.15551  0.269145  
1 1 1 57 6  28 o 1.88051  0.21496   3.75494      0.80847  3.94847      1.08584  3.5142       1.21108  1.88476  0.28806   1.70502  0.365707  
1 1 1 57 6  29 o 2.20616  0.181847  5.12462      0.802368 5.51007      1.08443  4.65833      1.19273  2.24418  0.241609  2.02121  0.295054  
1 1 1 57 6  30 o 1.18335  0.326708  1.74219      0.798159 1.88963      1.09358  1.57413      1.16759  1.18738  0.394245  1.09667  0.404161  
1 1 1 57 6  31 o 1.27371  0.325721  2.07732      0.833077 1.48014      1.16994  2.69157      1.18654  1.03957  0.399257  1.36851  0.405257  
1 1 1 57 6  32 o 0.992361 0.359377  1.38114      0.919674 1.96898      1.29445  0.781974     1.30687  1.10576  0.42133   0.877189 0.385843  
1 1 1 57 6  33 o 0.711175 0.317189  0.315251     0.91997  -0.503963    1.28195  1.18514      1.321    0.680989 0.326785  0.89959  0.39185   
1 1 1 57 6  34 o 0.627185 0.299631  -0.312452    1.04788  -1.22776     1.31572  1.27519      1.73283  0.60471  0.298457  0.86152  0.403349  
1 1 1 57 6  35 o 1.04026  0.389765  2.32108      1.09461  1.65622      1.41982  3.29527      1.71867  0.839068 0.382164  1.00284  0.441782  
1 1 1 57 7  0  o 4.81172  0.105422  23.2153      1.01343  23.2153      1.01343  23.2153      1.01343  4.81498  0.0744537 ?        ?         
1 1 1 57 7  1  o 0.703567 0.268291  0.351945     0.525212 0.60375      0.711659 0.0507466    0.778334 0.857253 0.315572  0.729055 0.308634  
1 1 1 57 7  2  f 6.54653  0.0709006 42.9068      0.928306 41.9913      1.28387  43.9099      1.34382  6.47274  0.0991755 6.6186   0.101519  
1 1 1 57 7  3  o 3.12027  0.0922186 9.7555       0.575494 9.92114      0.846845 9.61336      0.784471 3.14311  0.134715  3.09472  0.126743  
1 1 1 57 7  4  o 5.64367  0.072474  31.8912      0.818039 30.4553      1.18825  33.1849      1.12787  5.51095  0.107808  5.754    0.0980076 
1 1 1 57 7  5  o 6.01154  0.0732313 36.1867      0.880467 36.4118      1.25588  35.9692      1.23473  6.02613  0.104203  5.98956  0.103073  
1 1 1 57 7  6  o 2.30629  0.10962   5.33551      0.505631 5.58399      0.707573 5.07621      0.72281  2.35623  0.150149  2.24558  0.16094   
1 1 1 57 7  7  o 4.24698  0.0778672 18.0665      0.6614   18.6664      0.949763 17.5016      0.921595 4.31344  0.110093  4.17666  0.110327  
1 1 1 57 7  8  o 1.38028  0.182572  1.92306      0.504    1.92338      0.7204   1.92275      0.705366 1.3489   0.27655   1.35009  0.270774  
1 1 1 57 7  9  o 2.33339  0.112665  5.4649       0.525783 5.84951      0.75384  5.10055      0.733708 2.41003  0.156396  2.24977  0.163063  
1 1 1 57 7  10 o 3.72116  0.0848597 13.8774      0.631553 13.4783      0.903892 14.2582      0.882784 3.66277  0.123389  3.76812  0.117139  
1 1 1 57 7  11 o 3.38775  0.0928327 11.5085      0.628989 12.4906      0.935535 10.6984      0.849697 3.52416  0.132732  3.26189  0.130246  
1 1 1 57 7  12 o 1.39217  0.194865  1.96339      0.542571 1.26766      0.787217 2.59295      0.748843 1.09834  0.331084  1.59512  0.23473   
1 1 1 57 7  13 o 2.58107  0.11833   6.69556      0.610837 5.59173      0.870791 7.7649       0.85708  2.3501   0.185267  2.77458  0.154452  
1 1 1 57 7  14 o 1.33717  0.221467  1.81939      0.592277 1.26036      0.850187 2.34651      0.825567 1.10074  0.34659   1.48646  0.287974  
1 1 1 57 7  15 o 2.25038  0.134969  5.10008      0.607465 4.01079      0.847287 6.25222      0.871389 1.98518  0.213404  2.48562  0.175286  
1 1 1 57 7  16 f 0.507056 0.237412  -0.57286     0.600754 0.383136     0.900363 -1.34001     0.806546 0.849459 0.342896  0.513805 0.249401  
1 1 1 57 7  17 o 0.880157 0.299862  0.756584     0.632646 2.5791       0.933219 -0.793255    0.860581 1.54615  0.312721  0.605876 0.283766  
1 1 1 57 7  18 o 5.70032  0.0928449 32.6355      1.05849  34.8258      1.45918  30.203       1.53777  5.87845  0.124113  5.46842  0.140605  
1 1 1 57 7  19 o 1.61342  0.210403  2.66775      0.67894  1.85301      0.927628 3.60775      0.996386 1.29454  0.349928  1.86224  0.267523  
1 1 1 57 7  20 o 0.993812 0.308519  1.04936      0.676858 0.864515     0.991591 1.21063      0.926196 0.989422 0.37092   1.07868  0.362821  
1 1 1 57 7  21 o 2.2771   0.157714  5.26779      0.718262 5.97681      1.02762  4.59055      1.00433  2.40964  0.213231  2.10422  0.238646  
1 1 1 57 7  22 o 1.9478   0.195156  3.89818      0.76025  3.55269      1.08943  4.22612      1.06142  1.82735  0.298092  2.00586  0.264581  
1 1 1 57 7  23 o 3.96327  0.113217  15.8604      0.897416 13.7255      1.25967  18.0606      1.27882  3.66387  0.171904  4.21305  0.15177   
1 1 1 57 7  24 o 1.39023  0.287879  2.13062      0.773418 2.22202      1.07481  2.03247      1.11378  1.38533  0.377654  1.32398  0.392752  
1 1 1 57 7  25 o 3.19491  0.138666  10.3874      0.886052 10.1809      1.21022  10.6259      1.30081  3.13766  0.192854  3.19965  0.203274  
1 1 1 57 7  26 o 1.61227  0.247266  2.77766      0.797321 2.50776      1.11032  3.06502      1.14568  1.44369  0.379518  1.6096   0.364327  
1 1 1 57 7  27 o 1.39044  0.293664  2.20336      0.791336 1.77293      1.13453  2.61118      1.10432  1.20646  0.401559  1.46549  0.375167  
1 1 1 57 7  28 o 1.05977  0.337624  1.33149      0.804813 1.73889      1.09563  0.854037     1.18611  1.18105  0.394614  0.964803 0.391905  
1 1 1 57 7  29 o 0.682532 0.300436  0.0395299    0.793506 0.647397     1.07746  -0.680908    1.17299  0.882448 0.367763  0.697746 0.327598  
1 1 1 57 7  30 o 1.19025  0.323482  1.7649       0.790068 1.40114      1.06999  2.20099      1.17155  1.0467   0.386706  1.26077  0.407924  
1 1 1 57 7  31 f 1.04082  0.346132  1.45633      0.84295  0.974093     1.20145  1.92386      1.18299  0.918844 0.38594   1.13464  0.407916  
1 1 1 57 7  32 o 0.517942 0.25463   -1.29699     0.908752 -0.886458    1.25971  -1.74246     1.31224  0.660237 0.31855   0.605739 0.298748  
1 1 1 57 7  33 o 0.789315 0.335623  0.781367     0.927268 0.038149     1.2524   1.6831       1.3795   0.718023 0.337449  0.956547 0.408126  
1 1 1 57 7  34 o 0.924506 0.374895  1.48545      1.08315  2.49282      1.4152   0.0608213    1.68296  1.07588  0.431712  0.758179 0.36632   
1 1 1 57 8  0  o 3.36986  0.13044   11.4305      0.876134 11.4305      0.876134 11.4305      0.876134 3.37541  0.0919239 ?        ?         
1 1 1 57 8  1  o 2.2622   0.1203    5.1358       0.544286 3.98019      0.744294 6.46412      0.797979 1.98649  0.187339  2.53475  0.157408  
1 1 1 57 8  2  o 1.28557  0.204608  1.66991      0.526074 1.41915      0.783983 1.87531      0.709538 1.15928  0.32509   1.33314  0.27549   
1 1 1 57 8  3  o 4.32518  0.078874  18.7367      0.682288 19.4768      1.03165  18.1613      0.909632 4.40563  0.117083  4.25547  0.106878  
1 1 1 57 8  4  o 6.2118   0.0748182 38.6427      0.929511 38.2037      1.27056  39.1481      1.3634   6.17245  0.102922  6.24722  0.109121  
1 1 1 57 8  5  o 4.09981  0.0799725 16.8374      0.655744 17.2777      0.949153 16.4354      0.907007 4.14939  0.114373  4.04727  0.112052  
1 1 1 57 8  6  o 2.16238  0.118882  4.69429      0.514138 3.77997      0.718841 5.65188      0.735651 1.93503  0.185744  2.36951  0.155233  
1 1 1 57 8  7  o 2.1523   0.119884  4.65143      0.51605  5.63453      0.767932 3.84191      0.696845 2.36488  0.162362  1.95127  0.178562  
1 1 1 57 8  8  o 3.72979  0.0801669 13.9378      0.598011 14.3649      0.888527 13.5841      0.808549 3.78244  0.117454  3.67913  0.109883  
1 1 1 57 8  9  o 0.664837 0.258903  0.285208     0.495649 0.967986     0.712081 -0.356498    0.690332 0.980902 0.318093  0.597283 0.270211  
1 1 1 57 8  10 o 1.96817  0.134765  3.89627      0.530479 4.57995      0.780195 3.30844      0.723438 2.12849  0.183274  1.80718  0.200157  
1 1 1 57 8  11 o 2.12182  0.130103  4.52817      0.552111 4.76427      0.82303  4.33499      0.744474 2.16928  0.189701  2.07054  0.179778  
1 1 1 57 8  12 o 1.01923  0.260396  1.10468      0.532807 0.27035      0.74705  1.96847      0.760126 0.765534 0.311003  1.35802  0.288552  
1 1 1 57 8  13 o 0.862147 0.282671  0.738872     0.562184 1.61303      0.81     -0.0735954   0.780896 1.22492  0.325143  0.69784  0.302581  
1 1 1 57 8  14 o 4.44698  0.086799  19.8324      0.771986 20.3367      1.06883  19.2823      1.11622  4.49749  0.118825  4.37758  0.127493  
1 1 1 57 8  15 o 2.56336  0.123481  6.6108       0.63305  6.98479      0.886007 6.22077      0.904825 2.62792  0.168576  2.47761  0.1826    
1 1 1 57 8  16 o 5.3561   0.0873558 28.7836      0.935772 28.6782      1.27803  28.9055      1.37393  5.33841  0.119702  5.35704  0.128236  
1 1 1 57 8  17 f 1.2935   0.254894  1.78213      0.635925 0.960623     0.950192 2.44861      0.855856 1.01365  0.365468  1.50963  0.293956  
1 1 1 57 8  18 o 3.385    0.109239  11.5313      0.739551 11.0822      1.03416  12.0014      1.05802  3.3074   0.15634   3.44259  0.153666  
1 1 1 57 8  19 o 2.44463  0.142271  6.04642      0.695597 5.88583      0.995511 6.19963      0.972344 2.39617  0.207729  2.46213  0.19746   
1 1 1 57 8  20 o 1.10013  0.297916  1.31994      0.671612 1.63381      0.932484 0.981613     0.968123 1.21603  0.359015  1.01518  0.368615  
1 1 1 57 8  21 o 2.63777  0.141712  7.05216      0.747606 7.52062      1.0844   6.6278       1.03209  2.70592  0.200375  2.53927  0.203226  
1 1 1 57 8  22 o 1.99976  0.188036  4.10496      0.752053 3.43037      1.0324   4.86762      1.09773  1.79754  0.287171  2.15462  0.254738  
1 1 1 57 8  23 o 1.37241  0.282737  2.06202      0.749519 1.75424      1.06939  2.35921      1.05081  1.24406  0.388114  1.43729  0.364792  
1 1 1 57 8  24 o 2.35417  0.174163  5.68966      0.820019 5.67537      1.09605  5.70784      1.23586  2.32639  0.235569  2.31799  0.26658   
1 1 1 57 8  25 o 1.26722  0.304923  1.81935      0.764582 2.03679      1.0468   1.57069      1.11942  1.31296  0.378084  1.17057  0.398875  
1 1 1 57 8  26 o 0.693423 0.30214   0.0227607    0.78589  -1.49477     1.10061  1.60136      1.12254  0.60593  0.293358  1.1635   0.399367  
1 1 1 57 8  27 o 0.793817 0.32176   0.452764     0.797384 0.583574     1.15858  0.33504      1.09911  0.913302 0.381036  0.850358 0.363603  
1 1 1 57 8  28 o 0.768152 0.314243  0.42091      0.768042 0.155798     1.08463  0.687539     1.08773  0.80158  0.352052  0.905176 0.372743  
1 1 1 57 8  29 o 0.775385 0.319211  0.463513     0.797518 -0.228824    1.06886  1.33303      1.19785  0.721969 0.329615  1.04063  0.403053  
1 1 1 57 8  30 o 0.735014 0.308464  0.369979     0.766408 0.668856     1.04403  0.0207018    1.12863  0.860536 0.360531  0.763588 0.345472  
1 1 1 57 8  31 o 0.901531 0.342171  1.0403       0.850994 1.41142      1.24271  0.712598     1.16776  0.995497 0.402433  0.856069 0.370586  
1 1 1 57 8  32 f 0.814471 0.340918  0.72994      0.932148 1.6212       1.24038  -0.426508    1.41292  1.01635  0.405613  0.73217  0.349342  
1 1 1 57 8  33 o 0.656112 0.304789  0.0274467    0.962843 -0.0762964   1.25353  0.176728     1.50369  0.696033 0.331034  0.753362 0.359676  
1 1 1 57 8  34 o 0.731246 0.330275  0.555556     1.02717  -0.470719    1.39228  1.78136      1.52161  0.666272 0.324562  0.910431 0.406941  
1 1 1 57 9  0  o 6.6609   0.114697  44.485       1.52695  44.485       1.52695  44.485       1.52695  6.66533  0.081022  ?        ?         
1 1 1 57 9  1  o 9.8161   0.088443  96.558       1.73633  97.0807      2.43479  96.0171      2.47684  9.83291  0.123808  9.77798  0.126654  
1 1 1 57 9  2  o 3.66139  0.0900859 13.4353      0.659679 12.9681      0.956538 13.859       0.910982 3.59257  0.133127  3.71527  0.1226    
1 1 1 57 9  3  o 3.39388  0.0866798 11.5423      0.588362 10.7808      0.816754 12.3638      0.84828  3.27646  0.12464   3.50922  0.120865  
1 1 1 57 9  4  o 6.89676  0.0776755 47.6456      1.07142  46.8439      1.55305  48.3736      1.48002  6.83202  0.113659  6.94418  0.106565  
1 1 1 57 9  5  o 2.52023  0.104419  6.37131      0.526318 5.81164      0.755248 6.89974      0.733865 2.40234  0.15719   2.61947  0.140079  
1 1 1 57 9  6  o 2.49008  0.10799   6.22163      0.537808 6.13684      0.776656 6.29975      0.745454 2.46841  0.157319  2.50188  0.148979  
1 1 1 57 9  7  o 1.48976  0.168126  2.23827      0.500937 1.61046      0.719353 2.82935      0.697992 1.22895  0.295799  1.67117  0.208834  
1 1 1 57 9  8  o 4.72167  0.0769706 22.3353      0.726859 22.8177      1.06002  21.9071      0.998593 4.76758  0.11117   4.67216  0.106866  
1 1 1 57 9  9  o 3.95397  0.0836663 15.6693      0.661628 14.7592      0.928107 16.6098      0.943447 3.83254  0.121082  4.06653  0.116002  
1 1 1 57 9  10 o 2.47236  0.114399  6.14011      0.565674 7.21993      0.825751 5.18528      0.776488 2.67596  0.154291  2.2656   0.171365  
1 1 1 57 9  11 o 2.25998  0.128917  5.13814      0.582698 5.35206      0.831052 4.93127      0.817241 2.29987  0.180674  2.20696  0.185151  
1 1 1 57 9  12 o 0.91996  0.275305  0.880509     0.545639 1.07855      0.7772   0.688021     0.766217 1.02832  0.332205  0.894633 0.327628  
1 1 1 57 9  13 o 2.47532  0.116972  6.15879      0.57909  6.74836      0.842865 5.63167      0.796974 2.58479  0.163043  2.36042  0.16882   
1 1 1 57 9  14 o 1.57542  0.181929  2.51459      0.573228 3.3263       0.842053 1.81355      0.782548 1.80432  0.233343  1.29775  0.306103  
1 1 1 57 9  15 o 3.93054  0.0928395 15.5047      0.729818 16.8007      1.03258  14.2109      1.03166  4.08515  0.126382  3.75485  0.137377  
1 1 1 57 9  16 o 7.55356  0.0943429 57.3087      1.42525  58.4961      2.03712  56.1702      1.99476  7.61474  0.133762  7.46186  0.133664  
1 1 1 57 9  17 o 1.47259  0.2166    2.22079      0.637925 1.01233      0.909615 3.39045      0.89489  1.01938  0.358566  1.81311  0.246783  
1 1 1 57 9  18 o 1.82443  0.184633  3.39328      0.6737   2.82686      1.00233  3.86002      0.909878 1.60943  0.32277   1.93429  0.235197  
1 1 1 57 9  19 f 3.24393  0.114692  10.6061      0.744102 10.0575      1.03968  11.1821      1.06543  3.14562  0.165258  3.31834  0.160537  
1 1 1 57 9  20 o 0.550432 0.253916  -0.46783     0.653348 -0.632307    0.903534 -0.287579    0.945865 0.643949 0.297643  0.716931 0.320637  
1 1 1 57 9  21 o 1.21263  0.300339  1.62497      0.725534 0.453335     1.02084  2.82086      1.03136  0.887158 0.3625    1.59088  0.334705  
1 1 1 57 9  22 f 0.978677 0.322106  1.01355      0.729987 0.240799     1.01238  1.85046      1.05357  0.836675 0.352982  1.27537  0.382735  
1 1 1 57 9  23 o 1.40412  0.283528  2.16536      0.76833  2.21303      1.05567  2.11166      1.12038  1.3847   0.37285   1.34844  0.392074  
1 1 1 57 9  24 o 0.778248 0.31862   0.336312     0.790202 -0.50363     1.06711  1.3561       1.17581  0.720089 0.329001  1.12624  0.406501  
1 1 1 57 9  25 o 1.20598  0.30966   1.66488      0.750671 2.05545      1.02037  1.20412      1.10829  1.31334  0.371715  1.06229  0.393344  
1 1 1 57 9  26 o 1.38927  0.290135  2.19157      0.779884 3.66199      1.08671  0.629991     1.11989  1.81597  0.299208  0.919374 0.378338  
1 1 1 57 9  27 o 1.193    0.317576  1.67969      0.771356 2.55177      1.07359  0.749135     1.10899  1.43952  0.370734  0.931842 0.378805  
1 1 1 57 9  28 o 0.693184 0.303288  0.0710003    0.798686 -0.913339    1.14083  1.01723      1.11853  0.664278 0.31587   0.974572 0.386355  
1 1 1 57 9  29 o 1.00218  0.33564   1.23795      0.792621 1.56448      1.07573  0.850131     1.17236  1.09426  0.389424  0.929859 0.385321  
1 1 1 57 9  30 o 0.594116 0.278052  -0.433446    0.820648 0.159209     1.11342  -1.13833     1.21427  0.770585 0.346171  0.641674 0.310224  
1 1 1 57 9  31 o 0.533899 0.258289  -0.913941    0.847049 -0.523278    1.15173  -1.3742      1.25013  0.672351 0.318602  0.618364 0.302466  
1 1 1 57 9  32 o 1.07127  0.369693  1.8229       0.963037 1.37325      1.32573  2.32529      1.40129  0.928322 0.398213  1.1015   0.433776  
1 1 1 57 9  33 o 1.04527  0.375109  1.92319      0.999956 1.6184       1.33811  2.30867      1.50483  0.91868  0.39718   1.01229  0.428872  
1 1 1 57 9  34 o 0.985969 0.389519  2.1272       1.13328  4.10135      1.50495  -0.458584    1.72238  1.25255  0.459117  0.673434 0.334361  
1 1 1 57 10 0  o 1.58319  0.262086  2.72446      0.761281 2.72446      0.761281 2.72446      0.761281 1.62118  0.170326  ?        ?         
1 1 1 57 10 1  o 7.68572  0.0835312 59.1877      1.28399  60.3044      1.7981   58.0259      1.83412  7.75086  0.115993  7.60184  0.120637  
1 1 1 57 10 2  o 2.05567  0.13123   4.24664      0.539531 4.55143      0.760982 3.93858      0.765059 2.12372  0.179162  1.97406  0.193778  
1 1 1 57 10 3  o 6.48929  0.0720011 42.1742      0.934471 41.4825      1.34375  42.8219      1.3004   6.43059  0.104481  6.53454  0.0995018 
1 1 1 57 10 4  o 4.73113  0.0739557 22.4196      0.699788 22.3486      1.0165   22.4836      0.964824 4.71942  0.107693  4.7345   0.101893  
1 1 1 57 10 5  o 3.24482  0.0894608 10.5542      0.580568 10.8662      0.872208 10.306       0.777948 3.28773  0.132646  3.20323  0.121432  
1 1 1 57 10 6  o 4.87719  0.0767834 23.8302      0.748974 23.4678      1.09747  24.146       1.02469  4.83475  0.113498  4.9056   0.104441  
1 1 1 57 10 7  o 2.35452  0.108602  5.56453      0.511411 5.9991       0.734026 5.15459      0.712923 2.44047  0.150386  2.26138  0.15763   
1 1 1 57 10 8  o 3.66112  0.0838322 13.4349      0.61384  12.6469      0.862123 14.2452      0.874205 3.54749  0.121512  3.7658   0.116072  
1 1 1 57 10 9  o 5.49607  0.0806933 30.2754      0.886991 29.3429      1.27703  31.1446      1.23292  5.40366  0.118164  5.56875  0.1107    
1 1 1 57 10 10 o 2.4786   0.114182  6.17235      0.566021 6.30614      0.800104 6.03831      0.800847 2.49962  0.160045  2.44544  0.163743  
1 1 1 57 10 11 o 6.77328  0.0855996 45.9976      1.15958  46.4773      1.7963   45.6549      1.51832  6.79602  0.132158  6.74141  0.112611  
1 1 1 57 10 12 o 2.07351  0.135434  4.32901      0.561649 4.43565      0.805057 4.2279       0.783946 2.09155  0.192455  2.04206  0.19195   
1 1 1 57 10 13 o 1.65623  0.171907  2.77525      0.569436 3.20521      0.820222 2.3752       0.791171 1.77154  0.231499  1.49704  0.274483  
1 1 1 57 10 14 o 1.99547  0.151325  4.01877      0.603931 3.12301      0.861363 4.88489      0.846993 1.74559  0.246725  2.19351  0.193068  
1 1 1 57 10 15 o 2.54286  0.127504  6.51669      0.648447 6.67688      0.931454 6.36603      0.903279 2.5638   0.181655  2.50368  0.18039   
1 1 1 57 10 16 o 2.7744   0.121835  7.7552       0.676037 7.90858      0.99149  7.62194      0.924177 2.78999  0.177687  2.74112  0.168576  
1 1 1 57 10 17 o 3.46738  0.104186  12.095       0.722503 12.4653      1.02248  11.7258      1.02107  3.50996  0.145654  3.40305  0.150022  
1 1 1 57 10 18 o 1.8119   0.176478  3.34302      0.639521 2.98215      0.916951 3.68482      0.892388 1.69073  0.27117   1.88886  0.236225  
1 1 1 57 10 19 o 3.19674  0.126313  10.3209      0.807578 10.5645      1.11391  10.051       1.17251  3.22005  0.172965  3.13593  0.186948  
1 1 1 57 10 20 o 1.2318   0.280069  1.65649      0.674555 2.01286      0.947991 1.29099      0.960053 1.33879  0.350097  1.10133  0.369393  
1 1 1 57 10 21 o 0.757947 0.305664  0.338969     0.714492 1.46044      0.988989 -0.885391    1.03336  1.15194  0.374919  0.660189 0.309516  
1 1 1 57 10 22 o 0.60307  0.274834  -0.393219    0.736618 0.409647     1.00125  -1.34047     1.08756  0.869101 0.357709  0.629226 0.301715  
1 1 1 57 10 23 o 1.26017  0.316551  1.79036      0.797424 0.997122     1.08705  2.71451      1.17334  1.0232   0.387203  1.52368  0.384729  
1 1 1 57 10 24 o 1.51421  0.274365  2.52555      0.80034  1.96053      1.08028  3.21301      1.19159  1.288    0.387764  1.65814  0.368962  
1 1 1 57 10 25 o 3.50474  0.12592   12.5117      0.882636 12.9783      1.23302  12.0214      1.26403  3.54013  0.174149  3.39895  0.185944  
1 1 1 57 10 26 o 0.483967 0.236545  -1.28012     0.76073  -0.649896    1.02232  -2.06207     1.13874  0.668315 0.311845  0.569673 0.280568  
1 1 1 57 10 27 o 1.8084   0.2187    3.50536      0.790992 4.16562      1.08788  2.76478      1.15215  1.92949  0.281909  1.47877  0.385615  
1 1 1 57 10 28 o 1.11803  0.327318  1.54425      0.778251 1.27262      1.06333  1.85762      1.14212  1.02188  0.383903  1.17835  0.4029    
1 1 1 57 10 29 o 1.7954   0.231721  3.56291      0.832063 4.3546       1.15283  2.70204      1.20214  1.92379  0.299626  1.398    0.406013  
1 1 1 57 10 30 o 0.915453 0.345519  1.06649      0.863708 1.31434      1.12986  0.718033     1.33971  0.982857 0.388728  0.885116 0.389969  
1 1 1 57 10 31 o 0.793487 0.337543  0.608701     0.938626 2.04506      1.27212  -1.10771     1.39062  1.11748  0.419888  0.671453 0.326412  
1 1 1 57 10 32 o 0.706494 0.32117   0.287483     0.992397 -0.229039    1.35116  0.892505     1.46234  0.704999 0.337625  0.83873  0.384011  
1 1 1 57 10 33 o 1.31381  0.371011  2.79512      1.01763  1.9604       1.34565  3.91019      1.5553   0.985456 0.410862  1.32746  0.468668  
1 1 1 57 11 0  o 1.05804  0.38348   1.50743      0.742909 1.50743      0.742909 1.50743      0.742909 1.14261  0.264551  ?        ?         
1 1 1 57 11 1  o 1.95283  0.142901  3.83693      0.558123 4.10795      0.830305 3.61354      0.753835 2.01403  0.20613   1.8897   0.199458  
1 1 1 57 11 2  o 4.21171  0.0796075 17.7725      0.670568 18.0193      0.929309 17.5044      0.96856  4.23723  0.10966   4.17535  0.115985  
1 1 1 57 11 3  o 3.06212  0.0897347 9.39968      0.549557 10.0664      0.777486 8.73401      0.776896 3.16545  0.122808  2.94751  0.131789  
1 1 1 57 11 4  o 4.32667  0.0802504 18.7575      0.694434 18.5831      1.03391  18.9009      0.937331 4.30112  0.120191  4.33962  0.107997  
1 1 1 57 11 5  o 2.06434  0.126668  4.28318      0.522972 3.47318      0.764588 4.99531      0.716902 1.85103  0.20653   2.22578  0.161045  
1 1 1 57 11 6  o 2.58028  0.103079  6.68093      0.531946 6.92361      0.759704 6.4475       0.74508  2.62218  0.144861  2.53013  0.147241  
1 1 1 57 11 7  o 3.59092  0.0844034 12.9259      0.606171 12.2839      0.84131  13.6191      0.874143 3.49615  0.120319  3.6815   0.118721  
1 1 1 57 11 8  o 2.76984  0.104149  7.70175      0.576953 7.58224      0.820045 7.81889      0.811885 2.7426   0.149501  2.78563  0.145728  
1 1 1 57 11 9  o 1.80943  0.15032   3.30066      0.543987 3.73603      0.770948 2.86896      0.76769  1.9189   0.200883  1.67797  0.228756  
1 1 1 57 11 10 o 3.18535  0.0965129 10.1802      0.614856 10.993       0.88901  9.43498      0.85129  3.30479  0.134503  3.06097  0.139056  
1 1 1 57 11 11 o 2.79987  0.109418  7.87456      0.612711 6.53211      0.86236  9.24313      0.870709 2.54202  0.169621  3.02845  0.143755  
1 1 1 57 11 12 o 1.61882  0.17163   2.65115      0.555675 2.79453      0.834022 2.5367       0.745151 1.65091  0.252595  1.57531  0.23651   
1 1 1 57 11 13 o 4.27462  0.088683  18.3303      0.758172 17.7984      1.11528  18.7873      1.03378  4.20376  0.132653  4.32185  0.1196    
1 1 1 57 11 14 o 1.09412  0.273576  1.28632      0.597675 1.35832      0.905582 1.23076      0.795549 1.13275  0.357861  1.07875  0.334395  
1 1 1 57 11 15 o 1.47068  0.208631  2.21032      0.613656 3.59727      0.906408 1.03666      0.83381  1.86923  0.242455  1.01499  0.344251  
1 1 1 57 11 16 o 4.01242  0.0927315 16.174       0.744156 16.477       1.06059  15.8802      1.04439  4.04045  0.131246  3.96649  0.131652  
1 1 1 57 11 17 o 3.67024  0.10913   13.5636      0.80107  14.5066      1.10462  12.5175      1.16343  3.78542  0.145905  3.51013  0.165725  
1 1 1 57 11 18 o 3.38059  0.119912  11.5287      0.810744 10.4603      1.14856  12.5896      1.14458  3.20276  0.179308  3.51971  0.162596  
1 1 1 57 11 19 o 1.64632  0.206558  2.78655      0.680121 3.94366      1.00769  1.81844      0.921722 1.94313  0.259295  1.27569  0.350597  
1 1 1 57 11 20 o 0.824701 0.309545  0.585292     0.691003 0.627006     0.96621  0.541619     0.988626 0.912117 0.359877  0.897528 0.360545  
1 1 1 57 11 21 o 1.89187  0.187319  3.67477      0.708767 4.2575       0.998951 3.08405      1.00578  2.01677  0.247661  1.67322  0.312164  
1 1 1 57 11 22 o 2.13931  0.186527  4.70997      0.798076 3.82929      1.06577  5.83423      1.20416  1.89526  0.281165  2.35188  0.256     
1 1 1 57 11 23 o 1.66682  0.227952  2.90856      0.759911 3.07167      1.04101  2.72249      1.11183  1.65263  0.326579  1.53221  0.367085  
1 1 1 57 11 24 o 2.09039  0.190987  4.54368      0.798474 4.12174      1.08509  5.04199      1.1792   1.94937  0.278319  2.15918  0.273066  
1 1 1 57 11 25 o 0.818675 0.321682  0.561778     0.769043 0.314668     1.07693  0.818925     1.09858  0.845097 0.360588  0.956955 0.381783  
1 1 1 57 11 26 o 0.968316 0.325538  1.06246      0.745627 0.278063     0.975231 2.16617      1.15682  0.802301 0.34276   1.30874  0.402742  
1 1 1 57 11 27 o 1.60959  0.24096   2.83274      0.775692 4.224        1.04348  1.1144       1.15968  1.94486  0.268267  1.00449  0.394917  
1 1 1 57 11 28 o 1.60972  0.256708  2.91116      0.826458 2.55607      1.09787  3.37555      1.25551  1.39107  0.382777  1.59371  0.395309  
1 1 1 57 11 29 o 0.758359 0.317642  0.440339     0.81007  0.345655     1.13533  0.538531     1.15617  0.811232 0.357999  0.847968 0.367934  
1 1 1 57 11 30 o 0.975479 0.349115  1.30499      0.865646 1.3023       1.11674  1.30904      1.37019  0.967171 0.385219  0.971267 0.41025   
1 1 1 57 11 31 o 0.585781 0.281377  -0.720446    0.956346 -0.95998     1.22221  -0.342204    1.53584  0.635836 0.308127  0.75566  0.361423  
1 1 1 57 11 32 o 0.964329 0.371839  1.61671      1.01714  0.091896     1.39488  3.34813      1.48638  0.730076 0.348048  1.23259  0.4557    
1 1 1 57 11 33 o 0.651703 0.311825  -0.181225    1.14611  -0.388324    1.59288  0.0410841    1.65034  0.69648  0.34085   0.733276 0.356191  
1 1 1 57 12 0  o 0.90478  0.389156  1.18788      0.717408 1.18788      0.717408 1.18788      0.717408 0.972177 0.299045  ?        ?         
1 1 1 57 12 1  o 5.39306  0.0757397 29.1381      0.816937 29.4447      1.20835  28.88        1.10872  5.41548  0.111564  5.36482  0.103332  
1 1 1 57 12 2  f 2.45352  0.110848  6.04344      0.543934 5.76073      0.75162  6.3543       0.788159 2.3906   0.157203  2.51077  0.156956  
1 1 1 57 12 3  o 3.77008  0.0814284 14.244       0.613983 13.9782      0.897776 14.4776      0.841555 3.72987  0.12035   3.79729  0.11081   
1 1 1 57 12 4  o 2.52422  0.102468  6.39386      0.517304 5.74986      0.725708 7.05912      0.737593 2.38866  0.151907  2.6483   0.139258  
1 1 1 57 12 5  o 1.93981  0.128782  3.78415      0.499626 3.75158      0.69983  3.818        0.713524 1.92599  0.181681  1.94273  0.18364   
1 1 1 57 12 6  o 2.66221  0.106138  7.11554      0.565124 7.86951      0.823576 6.44465      0.776878 2.7945   0.147357  2.52804  0.153652  
1 1 1 57 12 7  o 3.94582  0.0880885 15.6131      0.695163 15.9839      1.01106  15.2806      0.957351 3.98637  0.126815  3.89839  0.122788  
1 1 1 57 12 8  o 4.46464  0.0863635 19.9863      0.771163 19.37        1.22775  20.3879      0.991052 4.38562  0.139975  4.50545  0.109984  
1 1 1 57 12 9  o 5.04159  0.0805609 25.477       0.81231  25.177       1.19335  25.736       1.10886  5.00476  0.119221  5.06204  0.109527  
1 1 1 57 12 10 o 3.63398  0.0893005 13.2458      0.649033 12.7779      0.937362 13.6768      0.899548 3.56288  0.131545  3.68777  0.121964  
1 1 1 57 12 11 o 4.52756  0.0833036 20.5552      0.754325 19.6798      1.07998  21.3892      1.05405  4.4231   0.122084  4.61289  0.11425   
1 1 1 57 12 12 o 2.62708  0.1134    6.93729      0.595821 6.90909      0.861374 6.96316      0.825037 2.6141   0.164756  2.62561  0.157114  
1 1 1 57 12 13 o 1.77364  0.16672   3.18594      0.591403 3.63583      0.861103 2.78427      0.813654 1.88434  0.228489  1.64569  0.247208  
1 1 1 57 12 14 o 2.6809   0.121773  7.24072      0.65292  9.09267      0.97834  5.75347      0.876731 2.99549  0.163302  2.37852  0.184302  
1 1 1 57 12 15 o 2.779    0.120216  7.78167      0.668162 6.61385      0.951928 8.91574      0.938071 2.54835  0.186773  2.96639  0.158117  
1 1 1 57 12 16 o 0.671254 0.284377  0.0729903    0.661597 -0.673634    0.974329 0.711774     0.901221 0.670805 0.309685  0.926771 0.352015  
1 1 1 57 12 17 o 3.63948  0.103951  13.3316      0.756658 13.4179      1.08145  13.2488      1.05905  3.63896  0.148593  3.61665  0.146414  
1 1 1 57 12 18 o 3.04422  0.119278  9.35172      0.726219 8.10048      1.0287   10.5949      1.02536  2.81597  0.182655  3.2288   0.158784  
1 1 1 57 12 19 o 1.58705  0.21728   2.60286      0.689669 2.47917      0.970354 2.72913      0.980401 1.49113  0.333762  1.57076  0.323152  
1 1 1 57 12 20 o 2.5555   0.150211  6.64167      0.767729 7.039        1.11621  6.28495      1.05763  2.60848  0.213957  2.46458  0.214565  
1 1 1 57 12 21 o 2.17904  0.172567  4.85832      0.752061 5.48153      0.999386 4.04459      1.14197  2.29934  0.217321  1.94693  0.293274  
1 1 1 57 12 22 o 2.34753  0.168803  5.64887      0.79254  5.7636       1.1114   5.53016      1.13049  2.34358  0.237116  2.29118  0.246705  
1 1 1 57 12 23 o 3.25696  0.135185  10.8034      0.880583 10.2127      1.21316  11.4612      1.28021  3.13752  0.19333   3.32425  0.192557  
1 1 1 57 12 24 o 3.71146  0.121832  14.0146      0.904348 13.6744      1.23862  14.403       1.32347  3.6366   0.1703    3.72691  0.177556  
1 1 1 57 12 25 o 0.889202 0.322462  0.818138     0.740666 0.9487       1.01592  0.670002     1.08213  0.970062 0.372198  0.916563 0.373654  
1 1 1 57 12 26 o 1.80674  0.211163  3.48008      0.763032 2.49278      1.01537  4.76098      1.15653  1.42541  0.356684  2.06583  0.279919  
1 1 1 57 12 27 o 0.881206 0.32641   0.852331     0.763328 0.717472     0.981918 1.05831      1.21351  0.878054 0.356609  0.986313 0.398107  
1 1 1 57 12 28 o 1.74329  0.235055  3.36431      0.819538 2.694        1.0896   4.23751      1.24362  1.42983  0.375999  1.8373   0.350993  
1 1 1 57 12 29 f 0.709881 0.310561  0.22324      0.837277 0.0696747    1.15904  0.390834     1.21083  0.762311 0.34669   0.820475 0.364971  
1 1 1 57 12 30 o 0.652432 0.299607  -0.132408    0.897571 -0.232389    1.20628  -0.00838815  1.34349  0.717302 0.335954  0.771674 0.359072  
1 1 1 57 12 31 o 0.840017 0.355491  0.979438     1.03205  0.911033     1.31417  1.08951      1.66705  0.843012 0.377459  0.879528 0.405677  
1 1 1 57 12 32 o 0.629474 0.300304  -0.292472    1.04323  0.727003     1.51177  -1.21929     1.44143  0.801993 0.375705  0.630531 0.311486  
1 1 1 57 12 33 o 0.586343 0.288767  -0.748544    1.21232  0.842145     1.78113  -2.1216      1.6548   0.746356 0.364204  0.577657 0.292044  
1 1 1 57 13 0  o 1.13307  0.357763  1.6362       0.71045  1.6362       0.71045  1.6362       0.71045  1.21415  0.231641  ?        ?         
1 1 1 57 13 1  o 2.48773  0.114092  6.21634      0.567657 6.74672      0.85942  5.80587      0.756052 2.58514  0.166223  2.39927  0.157559  
1 1 1 57 13 2  o 2.07186  0.125635  4.31602      0.520597 4.6844       0.714628 3.89946      0.75993  2.15404  0.165881  1.96192  0.19367   
1 1 1 57 13 3  o 2.23574  0.115511  5.02193      0.516504 5.08637      0.719418 4.95338      0.741999 2.24513  0.160217  2.21466  0.16752   
1 1 1 57 13 4  o 5.29408  0.0748657 28.0837      0.79269  28.5596      1.12023  27.6065      1.12184  5.33351  0.105018  5.24336  0.106977  
1 1 1 57 13 5  o 3.93656  0.0820828 15.5342      0.646248 15.534       0.910444 15.5344      0.917463 3.93177  0.11578   3.93167  0.116676  
1 1 1 57 13 6  o 3.35684  0.0916421 11.3024      0.615255 10.8004      0.837599 11.8905      0.90671  3.27673  0.12781   3.43746  0.131887  
1 1 1 57 13 7  o 6.39827  0.0815796 41.0353      1.04394  43.6248      1.5084   38.6547      1.44626  6.58934  0.114458  6.20208  0.116595  
1 1 1 57 13 8  o 1.89388  0.141435  3.6132       0.535723 2.9947       0.766487 4.20391      0.749066 1.7147   0.223504  2.03761  0.18381   
1 1 1 57 13 9  o 4.47768  0.0814245 20.1011      0.729186 19.0277      1.05828  21.0713      1.00614  4.34962  0.121652  4.57965  0.109849  
1 1 1 57 13 10 o 3.80372  0.0844247 14.5093      0.642255 14.0662      0.926461 14.9193      0.891139 3.73904  0.12389   3.85227  0.115664  
1 1 1 57 13 11 o 1.67508  0.163749  2.83627      0.548586 2.12524      0.78205  3.52507      0.769732 1.41056  0.28718   1.86133  0.206769  
1 1 1 57 13 12 o 1.01549  0.272032  1.10337      0.563757 0.949577     0.816228 1.24367      0.779579 0.98555  0.340327  1.08238  0.330118  
1 1 1 57 13 13 o 2.35819  0.127594  5.60647      0.601785 5.99573      0.892662 5.28219      0.814766 2.42823  0.183809  2.28021  0.178661  
1 1 1 57 13 14 o 1.25301  0.246482  1.67084      0.595681 1.15577      0.871175 2.1231       0.816337 1.05846  0.351879  1.39968  0.30028   
1 1 1 57 13 15 o 1.1397   0.287069  1.41111      0.654461 1.15078      0.981761 1.61932      0.878003 1.06966  0.372871  1.21364  0.345231  
1 1 1 57 13 16 o 1.12331  0.272283  1.36734      0.606218 1.44972      0.876323 1.29173      0.839505 1.15339  0.34965   1.09637  0.344245  
1 1 1 57 13 17 f 1.64143  0.194499  2.75816      0.638516 2.09811      0.926665 3.35483      0.881056 1.37343  0.338972  1.79775  0.245044  
1 1 1 57 13 18 o 1.46391  0.224387  2.21657      0.656964 1.58721      0.940301 2.81677      0.918265 1.19577  0.362127  1.6092   0.29643   
1 1 1 57 13 19 o 2.26891  0.15944   5.24583      0.72351  4.78353      1.01647  5.72058      1.03006  2.14263  0.237202  2.35004  0.219157  
1 1 1 57 13 20 o 0.671871 0.291052  -0.0139256   0.721262 -0.656426    0.977319 0.754563     1.06885  0.668049 0.309079  0.966963 0.379449  
1 1 1 57 13 21 o 0.997228 0.324589  1.07543      0.741285 2.20858      1.07852  0.0608096    1.02055  1.37852  0.379419  0.798791 0.346126  
1 1 1 57 13 22 o 1.72421  0.220327  3.10592      0.759779 3.22774      1.01983  2.95397      1.13899  1.70158  0.311252  1.59753  0.364414  
1 1 1 57 13 23 o 1.74545  0.223934  3.21504      0.781733 3.55303      1.07363  2.83365      1.14047  1.79845  0.298487  1.54199  0.373272  
1 1 1 57 13 24 o 0.988637 0.326906  1.10094      0.751904 1.54308      1.02894  0.594261     1.10147  1.14124  0.382416  0.908087 0.37471   
1 1 1 57 13 25 o 1.59356  0.235902  2.73099      0.751848 3.46246      1.01929  1.85806      1.11349  1.76321  0.289042  1.22176  0.397819  
1 1 1 57 13 26 o 1.00955  0.332973  1.2114       0.780073 0.948534     1.01869  1.58407      1.21294  0.949373 0.370868  1.12274  0.412114  
1 1 1 57 13 27 o 0.531778 0.253842  -0.740901    0.748146 -0.607998    0.975967 -0.930287    1.16504  0.638463 0.299594  0.663635 0.31678   
1 1 1 57 13 28 o 0.512844 0.247827  -0.935023    0.771562 -0.818118    1.03492  -1.0813      1.15767  0.62516  0.29845   0.636486 0.306668  
1 1 1 57 13 29 o 0.888677 0.336896  0.998026     0.824156 1.49533      1.13098  0.434942     1.20346  1.01673  0.392086  0.815025 0.363164  
1 1 1 57 13 30 o 0.638124 0.299014  -0.326784    0.959787 -0.537418    1.37604  -0.127221    1.33939  0.71556  0.34221   0.750199 0.351835  
1 1 1 57 13 31 o 0.886609 0.3706    1.27621      1.09918  1.86187      1.56321  0.703451     1.5459   0.957794 0.42164   0.813423 0.380856  
1 1 1 57 13 32 o 0.772669 0.351165  0.688267     1.18476  -0.32767     1.73494  1.57603      1.6218   0.727634 0.356009  0.893754 0.407439  
1 1 1 57 14 0  o 0.507595 0.328452  0.0435408    0.759651 0.0435408    0.759651 0.0435408    0.759651 0.431517 0.278165  ?        ?         
1 1 1 57 14 1  o 4.66774  0.0768828 21.8342      0.717737 21.1319      1.00642  22.561       1.02387  4.58695  0.109705  4.73983  0.108007  
1 1 1 57 14 2  o 6.68456  0.0782468 44.7818      1.04609  42.7758      1.42345  47.1374      1.54251  6.52627  0.109055  6.84995  0.112593  
1 1 1 57 14 3  o 2.96544  0.0961578 8.82304      0.5703   8.15812      0.731129 9.85624      0.911391 2.84776  0.128369  3.12746  0.145708  
1 1 1 57 14 4  o 4.07587  0.0781739 16.6491      0.637253 17.4986      0.915737 15.8514      0.887357 4.17406  0.109694  3.97243  0.111689  
1 1 1 57 14 5  o 1.66923  0.149482  2.80859      0.49904  2.21071      0.684022 3.48896      0.729688 1.47257  0.232254  1.85496  0.196685  
1 1 1 57 14 6  o 1.74367  0.141312  3.06261      0.492803 3.06739      0.661534 3.05664      0.738688 1.73983  0.190114  1.73387  0.213017  
1 1 1 57 14 7  o 4.53709  0.0781611 20.633       0.709248 21.859       0.99681  19.3759      1.00936  4.66522  0.106834  4.39075  0.114942  
1 1 1 57 14 8  o 1.17192  0.211732  1.43916      0.478088 1.23348      0.620339 1.74004      0.750282 1.07426  0.284263  1.27231  0.299482  
1 1 1 57 14 9  o 3.07858  0.0966736 9.51309      0.595236 8.99358      0.840684 10.0353      0.842901 2.98705  0.140721  3.15656  0.133516  
1 1 1 57 14 10 o 4.24805  0.081596  18.0956      0.693249 17.8627      0.98561  18.3236      0.975276 4.21443  0.116933  4.269    0.114228  
1 1 1 57 14 11 o 1.40688  0.197015  2.01527      0.554352 1.32299      0.773803 2.74518      0.794552 1.11118  0.326723  1.63446  0.243063  
1 1 1 57 14 12 o 2.43739  0.12178   5.98506      0.593649 5.63213      0.864321 6.30024      0.816786 2.35347  0.183627  2.49337  0.163791  
1 1 1 57 14 13 o 1.94725  0.144991  3.83316      0.564669 4.76859      0.854083 3.10676      0.752631 2.16188  0.197532  1.74158  0.216077  
1 1 1 57 14 14 o 2.18786  0.142572  4.84184      0.623854 6.41695      0.905805 3.42046      0.860465 2.51001  0.180438  1.82074  0.236296  
1 1 1 57 14 15 o 2.87     0.116094  8.30212      0.666376 8.56559      0.957533 8.05467      0.927959 2.90357  0.164889  2.81567  0.164785  
1 1 1 57 14 16 o 2.78038  0.121862  7.80151      0.677645 6.69587      0.952341 8.93542      0.964442 2.56014  0.185994  2.96484  0.162647  
1 1 1 57 14 17 o 2.86215  0.121288  8.272        0.694288 8.34132      0.997315 8.20681      0.967125 2.85931  0.174398  2.83743  0.170423  
1 1 1 57 14 18 o 2.7182   0.140689  7.49698      0.764844 8.08612      1.05745  6.85064      1.1076   2.8071   0.188353  2.57378  0.215169  
1 1 1 57 14 19 o 3.49154  0.122954  12.3308      0.858601 11.8928      1.19295  12.8015      1.23673  3.40915  0.174962  3.53707  0.174824  
1 1 1 57 14 20 o 2.53606  0.146778  6.54382      0.744474 6.47539      1.06184  6.60998      1.04407  2.49945  0.212416  2.52773  0.206523  
1 1 1 57 14 21 o 2.42391  0.156665  6.00253      0.759484 5.56594      1.07711  6.43423      1.07106  2.30428  0.23372   2.48614  0.215407  
1 1 1 57 14 22 o 1.55355  0.238746  2.55546      0.741808 1.70484      1.01357  3.53665      1.08859  1.20715  0.3781    1.77044  0.319085  
1 1 1 57 14 23 o 2.12415  0.183651  4.69231      0.780205 4.48071      1.04848  4.95486      1.1679   2.03855  0.257164  2.13345  0.273713  
1 1 1 57 14 24 o 1.92887  0.202809  3.91652      0.782383 3.45121      1.03135  4.54729      1.2008   1.76335  0.29244   2.02087  0.297098  
1 1 1 57 14 25 o 1.92145  0.205752  3.92378      0.790686 3.27994      1.02515  4.86926      1.24228  1.67302  0.317859  2.07361  0.299544  
1 1 1 57 14 26 o 1.47688  0.278678  2.52862      0.793059 2.14345      1.04449  3.05296      1.21865  1.28226  0.380331  1.52109  0.396558  
1 1 1 57 14 27 o 1.3394   0.298037  2.15726      0.777511 2.58174      1.02201  1.57403      1.19797  1.4147   0.360174  1.09141  0.407984  
1 1 1 57 14 28 o 0.518305 0.250421  -0.904379    0.786437 -0.68788     1.03217  -1.20401     1.21427  0.631771 0.300431  0.633827 0.307144  
1 1 1 57 14 29 o 0.552545 0.265611  -0.779435    0.856139 -1.88145     1.14677  0.608209     1.28683  0.550847 0.273405  0.846375 0.376378  
1 1 1 57 14 30 o 1.10068  0.380052  1.96634      1.01788  0.0681807    1.53462  3.45738      1.36012  0.776042 0.367752  1.39218  0.438381  
1 1 1 57 14 31 o 0.722337 0.334241  0.348282     1.14343  0.633831     1.59867  0.0492059    1.6361   0.793376 0.375674  0.74523  0.360256  
1 1 1 57 14 32 o 0.640425 0.309561  -0.271456    1.2069   0.892015     1.93453  -1.01287     1.54429  0.787458 0.383414  0.635352 0.315611  
1 1 1 57 15 0  o 1.95339  0.219699  3.98961      0.833585 3.98961      0.833585 3.98961      0.833585 1.97631  0.151158  ?        ?         
1 1 1 57 15 1  o 1.44944  0.190242  2.12803      0.551489 1.97591      0.779541 2.28046      0.780306 1.35932  0.295019  1.46779  0.275956  
1 1 1 57 15 2  o 7.22898  0.0781423 52.3732      1.12978  52.0449      1.56175  52.7336      1.63636  7.19882  0.108472  7.24499  0.112931  
1 1 1 57 15 3  o 3.71023  0.081309  13.7991      0.60335  13.4757      0.834385 14.1534      0.873489 3.66218  0.113919  3.75275  0.11638   
1 1 1 57 15 4  o 2.16059  0.117641  4.69223      0.508347 4.33065      0.704791 5.08431      0.733914 2.0698   0.170256  2.24361  0.163556  
1 1 1 57 15 5  o 4.04708  0.0780922 16.4171      0.632091 16.4408      0.886134 16.3925      0.901896 4.04542  0.109523  4.03912  0.111645  
1 1 1 57 15 6  o 1.80042  0.135585  3.26504      0.488219 2.96943      0.65529  3.63385      0.731942 1.71087  0.191508  1.89235  0.193395  
1 1 1 57 15 7  o 2.95155  0.0958436 8.74352      0.565775 9.02361      0.759238 8.39375      0.848422 2.99432  0.12678   2.88474  0.147053  
1 1 1 57 15 8  o 2.13423  0.117695  4.58034      0.502377 4.92308      0.653746 4.08604      0.78509  2.20899  0.147974  2.00584  0.195701  
1 1 1 57 15 9  o 2.4558   0.110037  6.06245      0.540457 7.10272      0.736163 4.84626      0.79598  2.65404  0.138687  2.18576  0.182083  
1 1 1 57 15 10 o 3.14619  0.0878165 9.93555      0.552576 9.2859       0.72287  10.8488      0.85708  3.03693  0.119013  3.28029  0.130641  
1 1 1 57 15 11 o 4.05469  0.104793  16.5314      0.849808 17.9712      1.11407  14.5279      1.31419  4.22085  0.131973  3.78303  0.173695  
1 1 1 57 15 12 o 1.99373  0.148631  4.02075      0.592661 3.88382      0.868686 4.13998      0.810622 1.94556  0.223248  2.01348  0.201298  
1 1 1 57 15 13 o 1.88031  0.149081  3.58         0.560637 3.31764      0.840873 3.78996      0.752232 1.79365  0.234402  1.92602  0.195281  
1 1 1 57 15 14 o 1.8788   0.151644  3.57744      0.569819 3.48927      0.866824 3.64454      0.756156 1.83822  0.235778  1.88697  0.200362  
1 1 1 57 15 15 o 2.0311   0.151938  4.18381      0.617204 3.93694      0.899137 4.4038       0.848758 1.95242  0.230263  2.07181  0.204835  
1 1 1 57 15 16 o 3.29443  0.106269  10.9335      0.700195 10.3181      1.00299  11.5186      0.977931 3.18633  0.15739   3.37065  0.145066  
1 1 1 57 15 17 o 0.633489 0.27765   -0.0907145   0.671761 -0.257784    0.94282  0.0815532    0.957375 0.718266 0.320707  0.787304 0.338084  
1 1 1 57 15 18 o 2.38818  0.161611  5.81581      0.771912 5.00175      1.08116  6.66225      1.10245  2.18659  0.247224  2.53632  0.217333  
1 1 1 57 15 19 o 1.03685  0.311942  1.17692      0.699274 1.907        1.03875  0.57187      0.945639 1.29263  0.378061  0.891059 0.354614  
1 1 1 57 15 20 o 0.983406 0.315713  1.04917      0.702751 1.58296      1.01714  0.561642     0.97207  1.18151  0.379875  0.889971 0.357511  
1 1 1 57 15 21 o 3.14615  0.133991  10.0691      0.843111 10.5282      1.14164  9.5182       1.25046  3.19623  0.178591  3.02382  0.206768  
1 1 1 57 15 22 o 1.00982  0.32187   1.1486       0.731389 1.0969       1.0339   1.20038      1.03478  1.02208  0.379622  1.05034  0.381122  
1 1 1 57 15 23 o 2.17847  0.173554  4.92287      0.756165 4.68158      1.00397  5.23919      1.1495   2.09033  0.240146  2.19774  0.261519  
1 1 1 57 15 24 o 2.20497  0.177859  5.07271      0.784347 5.78138      1.04554  4.16052      1.1862   2.32499  0.224848  1.9175   0.309308  
1 1 1 57 15 25 o 2.47288  0.164589  6.38023      0.81402  7.06985      1.07275  5.44413      1.24984  2.57023  0.208687  2.19423  0.284801  
1 1 1 57 15 26 f 0.91556  0.328105  0.973417     0.764815 1.43329      1.01063  0.357053     1.17002  1.06179  0.377497  0.839923 0.367289  
1 1 1 57 15 27 o 0.880744 0.324952  0.901702     0.755031 -0.0617051   1.00915  2.12675      1.13797  0.71872  0.325844  1.22908  0.402166  
1 1 1 57 15 28 o 0.510213 0.249034  -1.1227      0.834632 -0.218485    1.18724  -2.00621     1.17357  0.722668 0.336762  0.554065 0.275218  
1 1 1 57 15 29 o 0.916951 0.352899  1.14264      0.915244 0.218633     1.32765  1.97944      1.26344  0.791707 0.363908  1.09982  0.417072  
1 1 1 57 15 30 o 0.756177 0.333857  0.591348     0.988917 0.996424     1.4603   0.248222     1.344    0.849966 0.387247  0.751348 0.352385  
1 1 1 57 15 31 o 0.782594 0.350156  0.731344     1.12912  0.363469     1.6799   1.03449      1.52496  0.783777 0.375619  0.841897 0.3882    
1 1 1 57 15 32 o 0.948579 0.39645   2.23078      1.25761  2.02205      1.92657  2.38577      1.6601   0.823108 0.396346  0.883032 0.406324  
1 1 1 57 16 0  o 1.05369  0.398103  1.53098      0.782895 1.53098      0.782895 1.53098      0.782895 1.14146  0.280299  ?        ?         
1 1 1 57 16 1  f 3.42945  0.090345  11.7982      0.619667 11.9167      0.857518 11.6687      0.896461 3.44173  0.124577  3.40455  0.131656  
1 1 1 57 16 2  o 2.5106   0.109471  6.33255      0.549676 6.15794      0.745093 6.54106      0.814215 2.47059  0.150793  2.54488  0.159971  
1 1 1 57 16 3  o 2.20082  0.125118  4.87354      0.550724 5.01542      0.713285 4.66412      0.866589 2.22828  0.160053  2.14244  0.202244  
1 1 1 57 16 4  f 2.36824  0.109217  5.63509      0.517306 6.49508      0.724472 4.74051      0.738902 2.53829  0.142709  2.16477  0.170665  
1 1 1 57 16 5  o 1.34603  0.178939  1.83494      0.481713 2.316        0.651867 1.25619      0.714992 1.50777  0.216169  1.08593  0.312392  
1 1 1 57 16 6  o 2.62458  0.100894  6.91662      0.529609 7.0325       0.701295 6.76282      0.807935 2.64246  0.132698  2.58777  0.156106  
1 1 1 57 16 7  o 4.36679  0.0794791 19.1193      0.694137 18.7241      0.939526 19.5943      1.03002  4.31634  0.108834  4.41386  0.11668   
1 1 1 57 16 8  o 1.11875  0.219466  1.32067      0.473549 2.20912      0.616575 0.0428325    0.739443 1.47159  0.209493  0.702238 0.299187  
1 1 1 57 16 9  o 3.85342  0.101675  14.9253      0.783595 15.8455      1.09165  13.9472      1.12546  3.9621   0.137762  3.71357  0.151534  
1 1 1 57 16 10 o 1.64869  0.203395  2.77503      0.670669 3.14167      0.94984  2.4105       0.947105 1.74004  0.272936  1.48623  0.327448  
1 1 1 57 16 11 o 5.18638  0.0985308 27.0364      1.02204  27.6005      1.39491  26.3826      1.50175  5.22904  0.133381  5.10724  0.147022  
1 1 1 57 16 12 o 4.54524  0.103278  20.7844      0.938845 19.6512      1.366    21.7989      1.2925   4.40283  0.155127  4.64333  0.139178  
1 1 1 57 16 13 o 3.94372  0.113721  15.6708      0.89697  14.434       1.22821  17.0844      1.31305  3.76997  0.162894  4.10261  0.160026  
1 1 1 57 16 14 o 2.63466  0.143671  7.02906      0.757049 7.16406      1.07292  6.8952       1.06836  2.64325  0.202954  2.59218  0.206073  
1 1 1 57 16 15 o 1.89191  0.152176  3.63312      0.575808 3.29133      0.798582 4.00323      0.831018 1.78529  0.223656  1.97244  0.210657  
1 1 1 57 16 16 o 2.93381  0.116406  8.68968      0.683026 9.71119      0.970938 7.68892      0.961027 3.08948  0.157136  2.74335  0.175155  
1 1 1 57 16 17 o 0.761697 0.300633  0.401477     0.674491 0.649007     0.952795 0.152823     0.954958 0.913265 0.358281  0.799546 0.340304  
1 1 1 57 16 18 f 1.62454  0.210658  2.72894      0.684446 2.49032      1.02397  2.92167      0.920229 1.48317  0.35035   1.63605  0.291721  
1 1 1 57 16 19 o 0.518107 0.24441   -0.693189    0.669044 -1.05019     0.952534 -0.345567    0.939935 0.603435 0.28766   0.697047 0.315324  
1 1 1 57 16 20 o 2.32054  0.155547  5.50261      0.721906 4.92173      1.00893  6.11197      1.03337  2.16595  0.232907  2.42286  0.213254  
1 1 1 57 16 21 o 1.62295  0.221635  2.77237      0.719404 3.03544      1.004    2.49478      1.03133  1.63534  0.318329  1.45765  0.356281  
1 1 1 57 16 22 o 2.30826  0.166194  5.50635      0.767237 6.04804      1.02657  4.82092      1.15478  2.39384  0.21442   2.10216  0.274665  
1 1 1 57 16 23 o 1.21337  0.30804   1.7123       0.749145 1.41146      1.0076   2.08415      1.12023  1.0957   0.378148  1.29371  0.395956  
1 1 1 57 16 24 o 0.976421 0.332155  1.10179      0.776245 0.997147     1.00616  1.25565      1.22005  0.966821 0.370565  1.05273  0.406971  
1 1 1 57 16 25 o 2.30382  0.174997  5.59503      0.806322 6.29605      1.05244  4.59872      1.25466  2.40923  0.218417  1.97484  0.31766   
1 1 1 57 16 26 o 0.724276 0.306776  0.29869      0.769662 -0.643337    1.01287  1.58589      1.18398  0.644361 0.303016  1.09433  0.406286  
1 1 1 57 16 27 o 0.758479 0.324561  0.399949     0.876901 1.01747      1.29097  -0.129033    1.19485  0.940958 0.397869  0.746095 0.343872  
1 1 1 57 16 28 o 0.791848 0.3325    0.614859     0.891325 0.549272     1.29849  0.673299     1.22571  0.839653 0.375597  0.850151 0.373811  
1 1 1 57 16 29 o 0.804126 0.337574  0.760814     0.91837  1.51536      1.42086  0.219409     1.20356  0.961558 0.412354  0.7527   0.346192  
1 1 1 57 16 30 o 0.647172 0.303454  -0.0573558   0.994498 1.21806      1.435    -1.23605     1.37951  0.858149 0.388834  0.61784  0.305098  
1 1 1 57 16 31 o 0.51679  0.260034  -2.07372     1.19418  -1.87378     1.83749  -2.21991     1.57124  0.641986 0.323026  0.586253 0.29517   
1 1 1 57 17 0  o 0.456314 0.306714  -0.231209    0.767002 -0.231209    0.767002 -0.231209    0.767002 0.371534 0.252442  ?        ?         
1 1 1 57 17 1  o 4.41897  0.080669  19.5781      0.712948 18.9418      0.990611 20.262       1.02689  4.34084  0.114104  4.48951  0.114365  
1 1 1 57 17 2  o 2.83693  0.104301  8.08327      0.591788 8.25742      0.790437 7.86116      0.892689 2.86256  0.138065  2.78938  0.160016  
1 1 1 57 17 3  o 2.82138  0.104742  7.99532      0.591033 8.3529       0.791491 7.5446       0.888608 2.87911  0.137454  2.7321   0.162624  
1 1 1 57 17 4  o 3.18014  0.0905605 10.147       0.575991 10.0709      0.784602 10.236       0.848265 3.16348  0.12401   3.18779  0.133049  
1 1 1 57 17 5  o 3.4929   0.0893312 12.242       0.62405  12.4841      0.825732 11.9197      0.952959 3.52287  0.117196  3.43828  0.138581  
1 1 1 57 17 6  o 2.47298  0.109796  6.14937      0.543048 6.58007      0.686909 5.43153      0.88679  2.55462  0.134444  2.31119  0.191847  
1 1 1 57 17 7  o 2.23824  0.110689  5.04018      0.4955   5.27342      0.641791 4.69598      0.779636 2.28534  0.140415  2.1497   0.181336  
1 1 1 57 17 8  o 3.13998  0.112762  9.92247      0.708143 10.3568      1.02274  9.52245      0.981469 3.19781  0.159912  3.06626  0.160043  
1 1 1 57 17 9  o 3.77278  0.101806  14.309       0.768182 12.6376      1.06784  16.1018      1.10591  3.53443  0.151063  3.99322  0.138473  
1 1 1 57 17 10 o 0.844491 0.304403  0.647541     0.659154 1.97668      0.944924 -0.612258    0.919946 1.33767  0.349403  0.657476 0.302509  
1 1 1 57 17 11 o 1.68462  0.205042  2.90613      0.690839 2.4622       0.983892 3.33782      0.970238 1.49446  0.337182  1.78964  0.271071  
1 1 1 57 17 12 o 3.74364  0.117435  14.1285      0.879269 13.9897      1.28556  14.2505      1.20527  3.70762  0.173367  3.74656  0.16085   
1 1 1 57 17 13 o 2.64267  0.147224  7.07636      0.77813  6.34613      1.07093  7.89303      1.13254  2.48379  0.215583  2.77402  0.204133  
1 1 1 57 17 14 o 2.73024  0.156032  7.57162      0.852009 7.42801      1.18331  7.72623      1.22777  2.6833   0.220495  2.73512  0.224446  
1 1 1 57 17 15 o 3.4767   0.134193  12.2397      0.9331   11.6522      1.26667  12.9367      1.37978  3.37223  0.187809  3.55024  0.194322  
1 1 1 57 17 16 o 1.16007  0.3218    1.49723      0.772304 2.21931      1.11038  0.820576     1.07489  1.39002  0.385948  0.985609 0.381792  
1 1 1 57 17 17 o 1.98883  0.16058   4.03333      0.638732 4.28216      0.947251 3.82585      0.864955 2.02748  0.233603  1.91908  0.225357  
1 1 1 57 17 18 o 1.58037  0.207523  2.58654      0.655925 2.57615      0.973068 2.59519      0.887994 1.5131   0.330663  1.53332  0.300274  
1 1 1 57 17 19 o 1.8223   0.189257  3.42576      0.689768 3.45748      0.996293 3.39655      0.955917 1.79946  0.27683   1.78733  0.267415  
1 1 1 57 17 20 o 1.26661  0.282459  1.79294      0.697092 2.51997      0.964915 0.999252     1.00818  1.48162  0.333658  1.00056  0.374225  
1 1 1 57 17 21 o 2.42369  0.161794  6.05335      0.784279 5.88593      1.03167  6.28257      1.20717  2.36133  0.218452  2.42034  0.249379  
1 1 1 57 17 22 o 0.651079 0.285031  -0.0173843   0.706266 -0.232705    0.916905 0.296753     1.10749  0.692607 0.312475  0.848228 0.363914  
1 1 1 57 17 23 o 1.56044  0.246124  2.64266      0.768124 2.29177      1.03308  3.07647      1.14868  1.362    0.369783  1.58444  0.369021  
1 1 1 57 17 24 o 0.75189  0.309556  0.390059     0.750044 0.622872     0.969127 0.0423209    1.18441  0.861121 0.352752  0.803478 0.359086  
1 1 1 57 17 25 f 1.66159  0.236106  3.04841      0.784621 4.83445      1.04886  0.778823     1.18234  2.07927  0.252217  0.918896 0.384246  
1 1 1 57 17 26 o 2.10788  0.207731  4.84864      0.875743 4.47173      1.24949  5.21256      1.22777  1.87924  0.345362  2.10106  0.292177  
1 1 1 57 17 27 o 0.735426 0.323289  0.284757     0.916337 0.50031      1.37591  0.112949     1.22839  0.852233 0.383729  0.774995 0.353648  
1 1 1 57 17 28 o 1.09461  0.362095  1.74183      0.922492 1.18829      1.36099  2.21227      1.25468  0.937857 0.402929  1.15931  0.419766  
1 1 1 57 17 29 o 0.726951 0.325855  0.42118      0.981811 -0.308382    1.38907  1.14953      1.38791  0.704431 0.338551  0.871544 0.38913   
1 1 1 57 17 30 o 0.821408 0.366751  0.957262     1.23291  2.29922      1.86999  -0.0746303   1.63979  0.973429 0.442079  0.742403 0.359196  
1 1 1 57 17 31 o 0.595183 0.29317   -0.617346    1.22152  -2.16304     1.86524  0.543379     1.61636  0.599344 0.3042    0.716632 0.349204  
1 1 1 57 18 0  o 2.3334   0.182227  5.58212      0.838489 5.58212      0.838489 5.58212      0.838489 2.3483   0.127091  ?        ?         
1 1 1 57 18 1  o 5.02315  0.0787469 25.3007      0.791115 25.7731      1.10041  24.7954      1.13815  5.06355  0.10866   4.96514  0.114615  
1 1 1 57 18 2  o 4.32323  0.0782233 18.7415      0.676355 19.0322      0.962345 18.4576      0.950781 4.35068  0.110597  4.28443  0.110958  
1 1 1 57 18 3  o 1.8221   0.148127  3.35365      0.539807 3.366        0.733939 3.33911      0.796726 1.81767  0.20189   1.8072   0.220431  
1 1 1 57 18 4  o 4.68383  0.0857748 22.0161      0.803509 22.2135      1.2119   21.8612      1.07334  4.69441  0.129079  4.6608   0.115146  
1 1 1 57 18 5  o 2.36346  0.115852  5.62327      0.547624 5.84376      0.726452 5.33307      0.833439 2.40386  0.151101  2.29068  0.18192   
1 1 1 57 18 6  o 1.62166  0.159697  2.66349      0.51795  2.82932      0.657057 2.39131      0.841775 1.66592  0.197205  1.49182  0.29256   
1 1 1 57 18 7  o 0.941537 0.315263  0.891719     0.699299 0.788308     0.973838 1.00181      1.00481  0.970224 0.366682  1.03592  0.375594  
1 1 1 57 18 8  o 3.17926  0.120665  10.1852      0.767252 9.48043      1.0864   10.8865      1.08373  3.05362  0.177886  3.27588  0.16541   
1 1 1 57 18 9  o 1.23182  0.297913  1.65246      0.726979 1.66637      1.02078  1.63814      1.03559  1.23336  0.378072  1.22512  0.381875  
1 1 1 57 18 10 o 1.04563  0.320432  1.17071      0.733329 1.36842      1.05212  0.983911     1.02267  1.14323  0.386701  1.02946  0.378359  
1 1 1 57 18 11 o 3.13167  0.12861   9.90344      0.805527 9.58548      1.1519   10.2078      1.12689  3.06411  0.187966  3.16536  0.178003  
1 1 1 57 18 12 o 2.23793  0.182354  5.11086      0.816189 5.08306      1.21139  5.13398      1.10453  2.20344  0.274886  2.22363  0.248362  
1 1 1 57 18 13 o 2.82491  0.143403  8.08657      0.810199 8.25494      1.15487  7.92339      1.13693  2.83501  0.20368   2.77713  0.204695  
1 1 1 57 18 14 o 2.06568  0.187069  4.37123      0.772847 2.93501      1.16348  5.50535      1.0339   1.61079  0.368907  2.3063   0.224147  
1 1 1 57 18 15 o 2.1051   0.183704  4.54327      0.77343  4.08952      1.15074  4.91713      1.04454  1.96027  0.293516  2.17111  0.240555  
1 1 1 57 18 16 o 2.24959  0.183095  5.18983      0.823778 6.75022      1.179    3.70142      1.15148  2.54662  0.231483  1.82906  0.326535  
1 1 1 57 18 17 o 1.54338  0.247527  2.49958      0.764056 2.32456      1.07432  2.67871      1.08686  1.4207   0.373241  1.53162  0.360409  
1 1 1 57 18 18 o 0.809949 0.299792  0.595367     0.64367  1.57398      1.06938  0.0393973    0.806033 1.18037  0.389859  0.715218 0.308726  
1 1 1 57 18 19 o 0.775599 0.307516  0.436367     0.708703 0.402063     1.00103  0.470838     1.00349  0.856332 0.355527  0.872138 0.35839   
1 1 1 57 18 20 o 2.99662  0.131342  9.15439      0.787161 9.00956      1.02456  9.36303      1.22974  2.95162  0.173559  2.98905  0.205708  
1 1 1 57 18 21 o 0.804356 0.309246  0.572681     0.702436 -0.343468    0.909612 1.92619      1.10561  0.672781 0.306282  1.25414  0.395309  
1 1 1 57 18 22 o 1.37771  0.273367  2.14094      0.726466 1.16639      0.924355 3.71534      1.17488  1.01577  0.361036  1.77347  0.343497  
1 1 1 57 18 23 o 1.6661   0.217719  2.97883      0.72548  2.75942      0.930772 3.31847      1.15803  1.52895  0.315155  1.64113  0.362507  
1 1 1 57 18 24 o 1.77931  0.226773  3.46105      0.806999 3.9087       1.07827  2.89099      1.21678  1.8387   0.293214  1.46682  0.402691  
1 1 1 57 18 25 o 1.79427  0.238325  3.5744       0.855237 3.88111      1.20895  3.26715      1.21002  1.74868  0.358019  1.5676   0.387624  
1 1 1 57 18 26 o 0.58411  0.278424  -0.689742    0.891834 0.692482     1.30101  -1.915       1.22491  0.884719 0.387088  0.580715 0.286941  
1 1 1 57 18 27 o 0.937154 0.358207  1.19223      0.938061 -0.373452    1.3641   2.5969       1.29206  0.736686 0.347976  1.2608   0.428532  
1 1 1 57 18 28 o 0.679218 0.307731  0.127172     0.898605 -0.192115    1.35308  0.379115     1.20194  0.730728 0.345823  0.77535  0.352734  
1 1 1 57 18 29 o 0.680047 0.316497  0.110227     1.04441  -0.680441    1.47301  0.909583     1.48108  0.673899 0.329325  0.82327  0.380738  
1 1 1 57 18 30 o 0.786469 0.357389  0.831956     1.22625  1.81997      1.91061  0.139894     1.59905  0.892035 0.418689  0.739091 0.357093  
1 1 1 57 19 0  o 0.68563  0.3869    0.673037     0.800423 0.673037     0.800423 0.673037     0.800423 0.665731 0.340169  ?        ?         
1 1 1 57 19 1  o 2.77657  0.108464  7.75466      0.602315 8.1064       0.85153  7.40247      0.852074 2.8313   0.150378  2.70412  0.157551  
1 1 1 57 19 2  o 0.943478 0.26442   0.948504     0.518814 0.933752     0.706363 0.965785     0.764508 0.958527 0.316851  0.979619 0.329634  
1 1 1 57 19 3  o 2.2376   0.120874  5.04367      0.540938 5.00033      0.738715 5.09379      0.79431  2.22079  0.166318  2.23934  0.177353  
1 1 1 57 19 4  o 3.30584  0.0895852 10.973       0.59231  10.9986      0.817661 10.9448      0.859186 3.30364  0.123751  3.29415  0.130411  
1 1 1 57 19 5  o 2.46359  0.110416  6.107        0.544039 6.03267      0.745604 6.19164      0.795602 2.44165  0.152685  2.472    0.160923  
1 1 1 57 19 6  o 4.22389  0.0986442 17.9329      0.833324 18.2155      1.20205  17.6714      1.15628  4.24549  0.141567  4.18263  0.138224  
1 1 1 57 19 7  o 2.53227  0.14109   6.4827       0.714555 5.66343      1.05325  7.18135      0.972626 2.34735  0.224349  2.65529  0.183149  
1 1 1 57 19 8  o 1.12383  0.304279  1.37508      0.700685 2.4813       1.03664  0.444551     0.950761 1.49547  0.352033  0.87218  0.352241  
1 1 1 57 19 9  o 3.11428  0.119066  9.77898      0.741609 8.02567      1.10695  11.2068      0.998936 2.80116  0.197587  3.3258   0.15018   
1 1 1 57 19 10 o 0.725693 0.296028  0.252396     0.679641 -0.745494    1.03008  1.0217       0.904441 0.683007 0.316501  1.01584  0.357521  
1 1 1 57 19 11 o 1.98448  0.184237  4.0213       0.731228 3.52112      1.08856  4.43258      0.987093 1.82615  0.298049  2.06867  0.238581  
1 1 1 57 19 12 o 2.49994  0.158372  6.35234      0.791844 6.03898      1.25304  6.56068      1.02171  2.40432  0.260581  2.52765  0.202107  
1 1 1 57 19 13 o 1.943    0.182133  3.8632       0.707771 3.41983      1.02427  4.26836      0.979134 1.79886  0.2847    2.02491  0.241772  
1 1 1 57 19 14 o 1.19185  0.303386  1.57412      0.725231 1.69476      1.09587  1.48011      0.967371 1.22908  0.394216  1.15706  0.370309  
1 1 1 57 19 15 o 1.23537  0.310389  1.69824      0.766553 1.51471      1.14875  1.84557      1.02922  1.17895  0.404066  1.27431  0.377451  
1 1 1 57 19 16 o 0.733829 0.306894  0.194728     0.754358 -0.38312     1.15709  0.621885     0.994843 0.774842 0.350222  0.915329 0.363895  
1 1 1 57 19 17 o 2.33447  0.181362  5.6069       0.846767 5.29568      1.21894  5.89716      1.17717  2.22949  0.273367  2.36516  0.248857  
1 1 1 57 19 18 o 1.1571   0.318543  1.51592      0.760099 1.94193      1.04314  1.03369      1.10984  1.2893   0.379426  1.0315   0.390977  
1 1 1 57 19 19 o 3.30519  0.127384  11.1173      0.842058 10.471       1.11365  11.9799      1.28671  3.18326  0.174923  3.39542  0.189477  
1 1 1 57 19 20 o 0.850586 0.31772   0.698395     0.726246 0.590046     0.989867 0.824713     1.0688   0.881873 0.358087  0.953941 0.377829  
1 1 1 57 19 21 f 0.756587 0.306091  0.397621     0.719711 0.198726     0.977477 0.633119     1.06362  0.790383 0.340559  0.903559 0.369745  
1 1 1 57 19 22 o 0.456697 0.225657  -1.52426     0.757464 -1.6584      1.0131   -1.35423     1.14064  0.551877 0.27052   0.625343 0.302042  
1 1 1 57 19 23 o 0.601905 0.277951  -0.39453     0.78555  -0.853979    1.08998  0.102024     1.13314  0.652736 0.309608  0.796494 0.353778  
1 1 1 57 19 24 o 1.11598  0.34322   1.57691      0.840321 2.56531      1.18664  0.582641     1.19016  1.37098  0.405072  0.881681 0.377724  
1 1 1 57 19 25 o 0.758908 0.323982  0.376149     0.87017  0.61623      1.26468  0.160303     1.19915  0.879979 0.383356  0.795777 0.358275  
1 1 1 57 19 26 o 1.20952  0.364685  2.06967      0.95503  2.88379      1.35173  1.25821      1.34951  1.33286  0.438315  0.967912 0.407905  
1 1 1 57 19 27 o 1.07982  0.355215  1.67501      0.887771 3.17359      1.30481  0.383341     1.21139  1.3998   0.427114  0.79554  0.359027  
1 1 1 57 19 28 o 1.16796  0.38855   2.32931      1.06221  2.36255      1.49227  2.29518      1.51232  1.06096  0.436691  1.04536  0.435684  
1 1 1 57 19 29 o 0.637814 0.306107  -0.390141    1.12577  1.9536       1.97121  -1.52458     1.37142  0.929337 0.433403  0.598743 0.297424  
1 1 1 57 19 30 o 0.741567 0.33972   0.866234     1.1463   1.75454      1.68546  0.101718     1.56361  0.819814 0.387085  0.68534  0.335985  
1 1 1 57 20 0  o 0.7703   0.396081  0.911394     0.770101 0.911394     0.770101 0.911394     0.770101 0.791606 0.338882  ?        ?         
1 1 1 57 20 1  o 2.49167  0.118397  6.25359      0.590014 6.60066      0.825914 5.89186      0.843166 2.55185  0.161827  2.40819  0.175062  
1 1 1 57 20 2  o 2.15268  0.126559  4.67292      0.544883 4.51993      0.758248 4.83629      0.783537 2.10818  0.179835  2.18074  0.179649  
1 1 1 57 20 3  o 1.27449  0.2083    1.66185      0.530953 1.85132      0.712982 1.42596      0.795547 1.31001  0.280277  1.14576  0.329493  
1 1 1 57 20 4  o 1.92856  0.130613  3.7539       0.503788 5.0399       0.690114 2.28667      0.737137 2.23043  0.154704  1.48742  0.247791  
1 1 1 57 20 5  o 2.0945   0.12376   4.42464      0.518431 5.13416      0.672008 3.38156      0.814798 2.25178  0.149217  1.81329  0.224674  
1 1 1 57 20 6  o 1.87305  0.182064  3.57491      0.682029 3.18545      0.992626 3.92321      0.938699 1.74466  0.284476  1.94848  0.24088   
1 1 1 57 20 7  o 2.01484  0.171521  4.12906      0.691174 4.0839       1.01017  4.16882      0.947747 1.98371  0.254617  2.00944  0.235824  
1 1 1 57 20 8  o 2.39777  0.143535  5.81965      0.688331 5.6478       1.0052   5.97138      0.944528 2.34469  0.214356  2.41635  0.195445  
1 1 1 57 20 9  o 2.65403  0.133482  7.12053      0.708529 8.40475      1.06253  6.09225      0.950778 2.86898  0.185176  2.43991  0.194839  
1 1 1 57 20 10 o 1.4504   0.24165   2.18147      0.700975 1.9185       1.0031   2.43245      0.979966 1.30825  0.368002  1.48011  0.338285  
1 1 1 57 20 11 f 2.63054  0.146912  7.01905      0.772919 7.61884      1.13933  6.50765      1.05202  2.72077  0.209377  2.51461  0.209183  
1 1 1 57 20 12 o 1.86645  0.201454  3.58437      0.752009 3.19059      1.15702  3.87239      0.989517 1.68619  0.354325  1.9231   0.257271  
1 1 1 57 20 13 o 1.56065  0.228577  2.53089      0.713455 1.96979      1.05997  2.99567      0.964703 1.31403  0.381127  1.65355  0.303001  
1 1 1 57 20 14 o 1.7974   0.214279  3.34349      0.770292 3.66462      1.16081  3.09083      1.02966  1.81734  0.331676  1.67197  0.319346  
1 1 1 57 20 15 o 1.04757  0.330365  1.19888      0.77205  2.71552      1.10816  -0.231624    1.07623  1.54173  0.364652  0.770117 0.343285  
1 1 1 57 20 16 o 2.55164  0.158144  6.65338      0.807052 6.98521      1.18663  6.36777      1.10088  2.58416  0.229596  2.47048  0.222806  
1 1 1 57 20 17 o 1.67192  0.229972  2.93097      0.768991 4.10951      1.12639  1.90215      1.05241  1.95403  0.288221  1.27794  0.382326  
1 1 1 57 20 18 o 2.10708  0.195913  4.62054      0.825611 4.88102      1.14633  4.3398       1.19008  2.12916  0.269197  1.99124  0.29883   
1 1 1 57 20 19 o 0.730536 0.304435  0.259545     0.738267 0.317426     1.00042  0.190332     1.09398  0.826679 0.349931  0.828998 0.358776  
1 1 1 57 20 20 o 0.776785 0.308907  0.467359     0.71709  0.822791     0.975389 0.0492797    1.05786  0.932282 0.363164  0.789209 0.347143  
1 1 1 57 20 21 o 0.681859 0.294466  0.0918889    0.733955 0.596944     1.00864  -0.4765      1.07001  0.877115 0.359683  0.704538 0.324983  
1 1 1 57 20 22 o 0.589876 0.276093  -0.550119    0.809807 -0.604373    1.14509  -0.495837    1.14539  0.703442 0.328936  0.717733 0.333035  
1 1 1 57 20 23 o 0.783392 0.32123   0.489915     0.804456 1.36446      1.13348  -0.397677    1.14191  1.04579  0.395493  0.719948 0.333474  
1 1 1 57 20 24 o 0.664737 0.298584  -0.071112    0.828116 -1.22043     1.14188  1.204        1.20275  0.622176 0.300804  0.999596 0.399261  
1 1 1 57 20 25 o 0.695707 0.310293  0.0938263    0.880425 -1.37012     1.26282  1.47844      1.22813  0.630852 0.30763   1.02388  0.405176  
1 1 1 57 20 26 o 1.94439  0.248013  4.42159      0.964469 5.02249      1.36627  3.82474      1.36167  1.90259  0.372335  1.57228  0.423496  
1 1 1 57 20 27 o 0.937063 0.358256  1.3182       0.938496 2.44818      1.26147  -0.0824987   1.40448  1.17283  0.421272  0.746582 0.352857  
1 1 1 57 20 28 o 0.620861 0.29475   -0.267346    0.989823 0.354936     1.42494  -0.847604    1.37599  0.757667 0.357204  0.645361 0.316058  
1 1 1 57 20 29 o 0.544041 0.270639  -1.52179     1.15609  -1.3524      1.82831  -1.63463     1.49231  0.670949 0.334682  0.606292 0.302421  
1 1 1 57 21 0  o 0.692214 0.391829  0.689208     0.823895 0.689208     0.823895 0.689208     0.823895 0.67206  0.344737  ?        ?         
1 1 1 57 21 1  o 5.04881  0.0805682 25.5846      0.813546 24.3754      1.15483  26.776       1.14627  4.9178   0.117413  5.15637  0.111151  
1 1 1 57 21 2  o 4.05021  0.0853508 16.4725      0.691377 14.9646      0.981311 17.9587      0.974237 3.85052  0.127426  4.22167  0.115385  
1 1 1 57 21 3  o 1.17432  0.239394  1.47214      0.542765 1.41393      0.706476 1.55597      0.847904 1.13877  0.304286  1.19082  0.339428  
1 1 1 57 21 4  o 5.00582  0.0824605 25.157       0.825564 25.8596      1.21266  24.55        1.12708  5.06418  0.119729  4.93613  0.114166  
1 1 1 57 21 5  o 3.09439  0.119147  9.65495      0.737374 9.83194      1.12004  9.51957      0.979616 3.10608  0.180299  3.06246  0.159939  
1 1 1 57 21 6  o 2.98424  0.124048  8.98732      0.740375 8.4871       1.10139  9.39971      1.00003  2.88201  0.191081  3.04144  0.1644    
1 1 1 57 21 7  o 3.07055  0.120086  9.51112      0.737462 9.29967      1.07923  9.69633      1.01006  3.02012  0.178674  3.08868  0.16351   
1 1 1 57 21 8  f 0.66547  0.285732  0.0143224    0.683697 0.159862     1.01433  -0.106856    0.925549 0.827314 0.35138   0.742593 0.325684  
1 1 1 57 21 9  o 0.899656 0.317708  0.782776     0.714766 1.35217      1.06596  0.317628     0.963454 1.13394  0.389177  0.843052 0.349326  
1 1 1 57 21 10 o 1.10386  0.310479  1.33827      0.714048 1.55831      1.05448  1.15193      0.970385 1.19157  0.387133  1.06043  0.370604  
1 1 1 57 21 11 o 3.19526  0.12392   10.324       0.791914 9.33157      1.13365  11.2699      1.1067   3.01628  0.187922  3.32374  0.166485  
1 1 1 57 21 12 o 1.59797  0.234779  2.6592       0.750339 2.13894      1.14353  3.05255      0.994325 1.36336  0.396004  1.66631  0.30994   
1 1 1 57 21 13 o 0.51701  0.247376  -0.905688    0.721284 -0.300353    1.03664  -1.47376     1.00423  0.745417 0.334464  0.581311 0.281227  
1 1 1 57 21 14 o 2.90218  0.140991  8.55521      0.818362 8.22676      1.16888  8.87101      1.14613  2.82068  0.207199  2.93443  0.19529   
1 1 1 57 21 15 o 2.48082  0.165903  6.3027       0.823152 5.31047      1.17031  7.2742       1.15802  2.23869  0.261382  2.64229  0.219131  
1 1 1 57 21 16 o 1.16097  0.316789  1.5206       0.755847 0.429337     1.09925  2.49924      1.04098  0.893319 0.371826  1.47157  0.356867  
1 1 1 57 21 17 o 4.14798  0.118817  17.4591      0.985697 19.3115      1.39278  15.6003      1.39519  4.33678  0.160578  3.88519  0.179553  
1 1 1 57 21 18 o 0.89116  0.329689  0.787867     0.77826  0.796423     1.10303  0.779384     1.09824  0.956958 0.382314  0.95212  0.381031  
1 1 1 57 21 19 o 0.869138 0.329264  0.722554     0.786793 0.783953     1.13414  0.665588     1.09242  0.954362 0.385009  0.91999  0.375301  
1 1 1 57 21 20 o 0.520042 0.250106  -0.953193    0.761374 -1.13499     1.06864  -0.765775    1.08504  0.625704 0.299797  0.673302 0.315933  
1 1 1 57 21 21 o 0.833721 0.328898  0.631897     0.806913 1.46155      1.21349  -0.0257203   1.08037  1.09775  0.410566  0.769105 0.343358  
1 1 1 57 21 22 o 0.728048 0.312217  0.235273     0.814563 0.334614     1.17632  0.143756     1.12906  0.84046  0.367895  0.797416 0.353795  
1 1 1 57 21 23 o 0.649238 0.294987  -0.184856    0.834758 -0.603616    1.15279  0.276777     1.21036  0.693653 0.325512  0.831358 0.367903  
1 1 1 57 21 24 o 0.838261 0.337055  0.738301     0.865158 1.0749       1.24449  0.423471     1.20358  0.953527 0.396177  0.832326 0.367788  
1 1 1 57 21 25 o 1.05073  0.363014  1.57218      0.928774 1.46441      1.28925  1.68845      1.33914  1.00071  0.407885  1.04475  0.419646  
1 1 1 57 21 26 o 1.01995  0.369253  1.53294      0.97085  3.39378      1.3536   -0.438492    1.39324  1.4363   0.434385  0.728223 0.347326  
1 1 1 57 21 27 o 0.600533 0.286602  -0.421014    0.952431 -1.019       1.44362  0.03989      1.2674   0.654577 0.321522  0.717708 0.33793   
1 1 1 57 21 28 o 0.658513 0.305444  0.0570059    0.962321 -0.191695    1.37442  0.296178     1.34783  0.700833 0.336807  0.745475 0.350269  
1 1 1 57 21 29 o 0.688485 0.325581  0.43034      1.19725  -0.13197     1.85268  0.833553     1.56884  0.688401 0.342474  0.738863 0.356241  
1 1 1 57 22 0  o 1.33854  0.349966  2.16769      0.807799 2.16769      0.807799 2.16769      0.807799 1.41696  0.216782  ?        ?         
1 1 1 57 22 1  o 1.78139  0.161956  3.22259      0.577015 2.24197      0.778974 4.41481      0.858914 1.44257  0.279989  2.07499  0.206968  
1 1 1 57 22 2  o 5.36392  0.078409  28.8769      0.841159 30.3835      1.18256  27.3339      1.19672  5.49319  0.107639  5.20774  0.114899  
1 1 1 57 22 3  o 1.74981  0.149068  3.10263      0.52168  3.54172      0.69567  2.53846      0.788563 1.8625   0.186757  1.56362  0.25216   
1 1 1 57 22 4  o 4.07934  0.084217  16.7126      0.6871   18.8055      0.975039 14.6482      0.968407 4.31977  0.112858  3.80855  0.127136  
1 1 1 57 22 5  o 2.26869  0.148525  5.21694      0.673917 5.38428      0.996262 5.07578      0.915034 2.28692  0.217818  2.22388  0.20573   
1 1 1 57 22 6  o 2.12618  0.162204  4.59547      0.689749 5.65889      1.00697  3.6555       0.946719 2.34472  0.214731  1.87431  0.252551  
1 1 1 57 22 7  o 1.48404  0.233166  2.27996      0.692055 2.36584      0.978362 2.19396      0.979067 1.45733  0.341313  1.39993  0.350213  
1 1 1 57 22 8  o 3.63929  0.110383  13.3527      0.803433 12.9417      1.14407  13.7526      1.12854  3.56678  0.160379  3.67951  0.153355  
1 1 1 57 22 9  o 5.16824  0.0972337 26.8894      1.00505  26.0955      1.3919   27.7544      1.45278  5.07476  0.137139  5.23273  0.138816  
1 1 1 57 22 10 o 3.38896  0.119118  11.6065      0.807375 10.6377      1.13369  12.6036      1.15009  3.22476  0.175778  3.5154   0.163579  
1 1 1 57 22 11 o 3.51289  0.12434   12.4843      0.873588 12.3818      1.17268  12.6122      1.30949  3.48172  0.168406  3.50553  0.186774  
1 1 1 57 22 12 o 1.9215   0.2021    3.8075       0.77667  2.55559      1.13247  4.91926      1.06719  1.49107  0.378854  2.16823  0.246097  
1 1 1 57 22 13 o 1.28489  0.295788  1.82879      0.74486  2.28273      1.06721  1.39762      1.0401   1.40819  0.37295   1.13249  0.384484  
1 1 1 57 22 14 o 2.41316  0.164343  5.96107      0.793173 6.52842      1.1463   5.43991      1.09865  2.49829  0.229416  2.27515  0.241446  
1 1 1 57 22 15 o 4.10847  0.120235  17.1004      0.987966 16.5295      1.3251   17.815       1.4825   4.01638  0.164962  4.16132  0.178128  
1 1 1 57 22 16 o 1.81172  0.213559  3.43734      0.773821 2.56233      1.11407  4.25301      1.07564  1.46957  0.377179  1.98872  0.270434  
1 1 1 57 22 17 o 2.08557  0.185398  4.52183      0.773322 5.18279      1.06827  3.79412      1.12092  2.20304  0.242453  1.85242  0.302555  
1 1 1 57 22 18 o 1.44544  0.270536  2.33315      0.753132 1.87321      1.06127  2.79977      1.06895  1.24038  0.386573  1.53379  0.355176  
1 1 1 57 22 19 o 0.904687 0.327711  0.86143      0.764789 0.288999     1.11401  1.37173      1.05182  0.844289 0.363674  1.08429  0.385151  
1 1 1 57 22 20 o 1.68332  0.247008  3.09322      0.831587 3.88928      1.19051  2.33473      1.16209  1.80312  0.342506  1.34604  0.401562  
1 1 1 57 22 21 o 2.65451  0.173655  7.40987      0.921936 9.1165       1.28492  5.59902      1.32357  2.89933  0.221588  2.2012   0.300648  
1 1 1 57 22 22 o 0.931644 0.343082  1.01212      0.841212 0.643286     1.23021  1.33603      1.15286  0.899944 0.384738  1.0363   0.396816  
1 1 1 57 22 23 o 1.96345  0.223522  4.26401      0.877746 4.11455      1.2371   4.41552      1.24559  1.78509  0.35913   1.86483  0.346926  
1 1 1 57 22 24 o 1.28707  0.356767  2.27985      0.949606 2.01154      1.40117  2.50777      1.29142  1.12085  0.435549  1.25802  0.428425  
1 1 1 57 22 25 o 0.538746 0.262332  -1.06792     0.906129 -1.18376     1.25981  -0.943774    1.30426  0.635019 0.30923   0.666135 0.321957  
1 1 1 57 22 26 o 0.75354  0.330037  0.55383      0.947806 1.51637      1.35068  -0.379956    1.33035  0.944187 0.403377  0.696382 0.333864  
1 1 1 57 22 27 o 0.725723 0.327722  0.479197     1.01091  2.12306      1.51314  -0.846019    1.3586   0.979952 0.422997  0.640134 0.313628  
1 1 1 57 22 28 f 0.651536 0.306247  -0.00293551  1.03224  0.967946     1.50445  -0.866563    1.41892  0.807997 0.377518  0.639223 0.314847  
1 1 1 57 23 0  o 0.544993 0.344256  0.199008     0.780837 0.199008     0.780837 0.199008     0.780837 0.477711 0.296619  ?        ?         
1 1 1 57 23 1  o 2.07761  0.139871  4.36916      0.581193 3.69214      0.796026 5.14209      0.850543 1.89529  0.210001  2.2423   0.189659  
1 1 1 57 23 2  o 1.84614  0.149467  3.45607      0.551873 4.66148      0.750638 2.03803      0.814157 2.13823  0.175528  1.36309  0.306153  
1 1 1 57 23 3  o 2.70762  0.10608   7.38365      0.574452 7.22987      0.779105 7.56684      0.850358 2.67069  0.145862  2.72964  0.155764  
1 1 1 57 23 4  o 3.0901   0.116511  9.63238      0.720059 8.96941      1.0667   10.1874      0.975971 2.96387  0.179951  3.16742  0.154064  
1 1 1 57 23 5  o 1.58533  0.212682  2.58819      0.674339 2.39409      0.979662 2.76297      0.929624 1.46583  0.340398  1.59234  0.302828  
1 1 1 57 23 6  o 1.96987  0.17666   3.96248      0.695996 3.00163      0.987548 4.91075      0.981058 1.65718  0.309455  2.17888  0.225129  
1 1 1 57 23 7  o 2.25103  0.160265  5.1591       0.721525 5.96908      1.01162  4.32041      1.02939  2.40595  0.210233  2.03311  0.253156  
1 1 1 57 23 8  o 3.84358  0.107346  14.8995      0.825188 13.6013      1.15868  16.2356      1.17549  3.65422  0.15854   3.99754  0.147027  
1 1 1 57 23 9  o 3.28654  0.119115  10.9164      0.782951 10.6162      1.13301  11.1908      1.08319  3.22112  0.175872  3.31224  0.163514  
1 1 1 57 23 10 o 3.62786  0.118247  13.3011      0.857969 12.6188      1.20202  14.0097      1.22501  3.51344  0.171059  3.70466  0.165334  
1 1 1 57 23 11 o 2.3419   0.164068  5.59795      0.768459 4.92419      1.09783  6.24522      1.07603  2.16617  0.253404  2.45407  0.219233  
1 1 1 57 23 12 o 3.22542  0.130563  10.5496      0.842241 10.2779      1.23746  10.784       1.1496   3.15638  0.196025  3.24223  0.177286  
1 1 1 57 23 13 o 3.05908  0.132389  9.50187      0.809978 8.85458      1.15547  10.1272      1.13575  2.92611  0.197442  3.13762  0.180989  
1 1 1 57 23 14 o 1.06972  0.325958  1.27915      0.760285 2.72172      1.14138  0.128556     1.01935  1.52632  0.375888  0.808321 0.348027  
1 1 1 57 23 15 f 2.79085  0.146542  7.96224      0.817951 7.74545      1.14717  8.18643      1.16659  2.72139  0.210769  2.79918  0.20838   
1 1 1 57 23 16 o 1.74719  0.217953  3.21903      0.761608 3.50904      1.03416  2.87533      1.12582  1.78925  0.288994  1.55332  0.367643  
1 1 1 57 23 17 o 1.17947  0.327708  1.62894      0.800286 1.23354      1.1575   1.99105      1.10769  1.06492  0.400449  1.27392  0.394518  
1 1 1 57 23 18 o 0.959895 0.32926   1.0267       0.762911 1.32406      1.111    0.761371     1.04947  1.07689  0.3945    0.928662 0.372128  
1 1 1 57 23 19 o 0.610295 0.278534  -0.321414    0.762515 -0.146924    1.11473  -0.474851    1.04533  0.764251 0.344683  0.694239 0.320605  
1 1 1 57 23 20 o 1.1914   0.331593  1.7369       0.818679 2.84955      1.19237  0.7446       1.12605  1.47746  0.395549  0.916278 0.378537  
1 1 1 57 23 21 o 2.37096  0.189829  5.99723      0.900155 6.33162      1.27007  5.65972      1.27597  2.36352  0.268682  2.21526  0.287996  
1 1 1 57 23 22 o 0.714031 0.311488  0.168881     0.837327 -0.264295    1.15277  0.652676     1.21826  0.733725 0.338016  0.891367 0.382025  
1 1 1 57 23 23 o 1.65902  0.300028  3.39453      0.958992 6.15453      1.34523  0.542443     1.36748  2.25034  0.298894  0.868095 0.386958  
1 1 1 57 23 24 f 0.981711 0.360207  1.34771      0.926562 1.14618      1.30962  1.54969      1.3111   0.937472 0.398748  1.01356  0.411928  
1 1 1 57 23 25 o 0.81402  0.343609  0.743074     0.960167 0.657248     1.37399  0.824989     1.34232  0.844099 0.381576  0.865156 0.384578  
1 1 1 57 23 26 o 0.888485 0.354232  1.2449       0.945171 -0.144838    1.38291  2.46317      1.29479  0.711983 0.341114  1.11323  0.422198  
1 1 1 57 23 27 o 1.52034  0.358097  3.54251      1.07216  4.6474       1.67871  2.7813       1.39338  1.42969  0.48846   1.13982  0.436309  
1 1 1 57 23 28 o 0.570247 0.279327  -0.613531    1.07617  0.656851     1.53221  -1.85037     1.51185  0.721923 0.348928  0.566606 0.285762  
1 1 1 57 24 0  o 2.1792   0.193619  4.91792      0.828547 4.91792      0.828547 4.91792      0.828547 2.1989   0.134368  ?        ?         
1 1 1 57 24 1  o 0.992464 0.273819  1.06784      0.560894 1.51238      0.78761  0.61039      0.798958 1.16967  0.32514   0.865254 0.330625  
1 1 1 57 24 2  o 3.33938  0.0944109 11.2189      0.630549 10.8725      0.854937 11.632       0.933724 3.2785   0.130385  3.38883  0.137765  
1 1 1 57 24 3  o 2.66653  0.100058  7.1594       0.533616 8.21542      0.770144 6.1843       0.74005  2.84839  0.135189  2.4678   0.149941  
1 1 1 57 24 4  o 1.61798  0.210444  2.69952      0.680989 3.97595      0.993329 1.56761      0.935406 1.94999  0.254701  1.18744  0.361499  
1 1 1 57 24 5  o 3.76169  0.103983  14.2612      0.782301 14.0768      1.13621  14.4274      1.07871  3.72068  0.152688  3.77056  0.143044  
1 1 1 57 24 6  o 3.02677  0.126108  9.26985      0.763399 8.68856      1.06449  9.8854       1.09539  2.91176  0.182791  3.1085   0.176193  
1 1 1 57 24 7  o 2.51997  0.146711  6.45285      0.739417 5.71457      1.04245  7.20037      1.04896  2.34754  0.222032  2.64465  0.198318  
1 1 1 57 24 8  o 1.28263  0.278788  1.80194      0.695168 1.05189      1.00388  2.49299      0.963591 1.03211  0.375301  1.49251  0.331523  
1 1 1 57 24 9  o 2.59584  0.143922  6.84516      0.747198 7.24132      1.08923  6.49304      1.02691  2.64842  0.205638  2.50821  0.204711  
1 1 1 57 24 10 o 2.6042   0.151343  6.904        0.788257 7.19997      1.12617  6.61973      1.1037   2.63638  0.213582  2.52589  0.218477  
1 1 1 57 24 11 o 2.12037  0.179694  4.62016      0.762035 3.80221      1.07025  5.46124      1.08527  1.88627  0.283695  2.28257  0.237729  
1 1 1 57 24 12 o 3.22973  0.132174  10.5915      0.85377  9.84858      1.25654  11.2287      1.16363  3.08237  0.203827  3.30614  0.17598   
1 1 1 57 24 13 o 1.61696  0.23361   2.74804      0.755477 2.61335      1.10594  2.86589      1.03445  1.49595  0.37099   1.58682  0.336213  
1 1 1 57 24 14 o 1.83796  0.208894  3.53251      0.767879 3.93475      1.11279  3.16687      1.06096  1.90043  0.292772  1.66607  0.33014   
1 1 1 57 24 15 o 2.76622  0.150578  7.85151      0.833063 7.05466      1.19088  8.6151       1.16577  2.57795  0.230975  2.86763  0.203264  
1 1 1 57 24 16 o 2.90264  0.14712   8.64948      0.854072 7.71786      1.21732  9.55264      1.19858  2.69513  0.225837  3.01867  0.198528  
1 1 1 57 24 17 o 1.01177  0.333612  1.17231      0.783069 0.92893      1.13121  1.39625      1.08508  0.982417 0.388831  1.09518  0.390976  
1 1 1 57 24 18 o 2.4652   0.16991   6.32965      0.837724 5.76643      1.17223  6.91754      1.19762  2.29632  0.25524   2.53033  0.236654  
1 1 1 57 24 19 o 2.20722  0.190019  5.15493      0.838823 4.99746      1.22943  5.29208      1.14737  2.09383  0.293584  2.18126  0.263006  
1 1 1 57 24 20 o 0.515416 0.250182  -1.11314     0.811576 -1.34811     1.1688   -0.894369    1.12779  0.624001 0.302142  0.656312 0.3129    
1 1 1 57 24 21 o 0.582967 0.273843  -0.579131    0.822792 -0.617518    1.14992  -0.538861    1.17779  0.690292 0.324146  0.707914 0.33163   
1 1 1 57 24 22 o 0.764459 0.323263  0.442749     0.852319 1.0119       1.20142  -0.133941    1.20934  0.936349 0.389165  0.751213 0.346125  
1 1 1 57 24 23 o 1.06463  0.362078  1.61029      0.922405 1.07704      1.28135  2.18387      1.32891  0.927931 0.394547  1.15645  0.430217  
1 1 1 57 24 24 o 1.07283  0.37322   1.71504      0.98318  -1.01848     1.42149  4.22206      1.36132  0.683614 0.331598  1.67015  0.410018  
1 1 1 57 24 25 o 1.51937  0.348653  3.38487      1.03758  4.65691      1.64926  2.55163      1.33483  1.50466  0.483716  1.14226  0.429933  
1 1 1 57 24 26 f 0.674567 0.30849   0.211286     0.940655 -0.393463    1.31672  0.841622     1.34428  0.669839 0.323703  0.806034 0.368683  
1 1 1 57 24 27 o 0.972624 0.374251  1.82285      1.02924  1.05432      1.4548   2.59302      1.45633  0.800018 0.372798  1.01893  0.426287  
1 1 1 57 25 0  o 4.46017  0.115423  20.0312      1.02805  20.0312      1.02805  20.0312      1.02805  4.46794  0.0814122 ?        ?         
1 1 1 57 25 1  o 2.81931  0.112818  8.02378      0.636136 8.76019      0.866505 7.1629       0.936873 2.93618  0.147557  2.64582  0.177048  
1 1 1 57 25 2  o 4.70418  0.0837994 22.2451      0.788414 22.5203      1.10566  21.9603      1.12455  4.72159  0.117086  4.66107  0.120632  
1 1 1 57 25 3  o 1.13979  0.22406   1.3896       0.492561 1.56233      0.627196 1.11162      0.795652 1.19642  0.268707  1.02146  0.336281  
1 1 1 57 25 4  o 1.61701  0.214758  2.70521      0.69453  2.96621      1.00684  2.46828      0.959308 1.63838  0.318639  1.48566  0.331382  
1 1 1 57 25 5  o 2.52664  0.140904  6.47953      0.712029 6.03926      1.01841  6.90054      0.995889 2.41736  0.210646  2.59103  0.19218   
1 1 1 57 25 6  o 4.15415  0.102271  17.3941      0.849697 17.8685      1.1986   16.9148      1.20473  4.19469  0.142871  4.07908  0.147672  
1 1 1 57 25 7  o 3.81839  0.107843  14.7099      0.823572 15.467       1.17993  13.9906      1.15006  3.89876  0.151322  3.70638  0.155146  
1 1 1 57 25 8  o 2.81063  0.13472   8.0109       0.757295 7.67231      1.09026  8.32655      1.05268  2.72789  0.199836  2.84803  0.184808  
1 1 1 57 25 9  o 2.18594  0.174987  4.89976      0.765019 3.26878      1.0783   6.5527       1.08553  1.71174  0.326682  2.5117   0.216096  
1 1 1 57 25 10 o 1.73114  0.214153  3.11721      0.741458 3.25416      1.05059  2.98131      1.04659  1.70803  0.319383  1.62601  0.333301  
1 1 1 57 25 11 o 0.582575 0.267871  -0.449203    0.720039 -0.79657     1.03243  -0.120235    1.00471  0.666501 0.311919  0.759158 0.33567   
1 1 1 57 25 12 f 1.67793  0.237937  2.96982      0.798483 2.33723      1.21042  3.45719      1.06244  1.39663  0.407989  1.75773  0.313493  
1 1 1 57 25 13 o 2.9218   0.141915  8.72054      0.829295 7.91761      1.2003   9.45388      1.14711  2.7447   0.218657  3.01711  0.190101  
1 1 1 57 25 14 o 0.523445 0.25084   -0.906785    0.748835 -1.23536     1.11594  -0.637641    1.00999  0.638647 0.306086  0.66985  0.311553  
1 1 1 57 25 15 o 3.15165  0.139265  10.1702      0.877832 10.8091      1.26832  9.58266      1.21621  3.21169  0.197453  3.0213   0.201272  
1 1 1 57 25 16 f 0.755507 0.312853  0.3295       0.772007 0.092383     1.16421  0.515598     1.03138  0.825544 0.363645  0.870511 0.361112  
1 1 1 57 25 17 o 0.859889 0.326266  0.728251     0.773525 0.681059     1.11678  0.77177      1.07243  0.916869 0.377646  0.927871 0.374361  
1 1 1 57 25 18 o 1.42291  0.290525  2.35254      0.798181 2.91602      1.16294  1.85069      1.0975   1.51198  0.383769  1.19926  0.394951  
1 1 1 57 25 19 o 1.1559   0.334916  1.66636      0.818924 1.92741      1.15558  1.40298      1.16071  1.19633  0.405267  1.05796  0.400179  
1 1 1 57 25 20 o 0.924973 0.339583  0.999365     0.823597 1.24268      1.15202  0.744997     1.17789  1.01112  0.394515  0.907988 0.381794  
1 1 1 57 25 21 o 0.849886 0.337572  0.77453      0.855409 0.42105      1.18743  1.15587      1.23334  0.833319 0.367144  0.974247 0.398326  
1 1 1 57 25 22 o 1.00834  0.355498  1.39782      0.894582 0.947373     1.24288  1.88203      1.28862  0.90867  0.387535  1.10027  0.420045  
1 1 1 57 25 23 f 0.860062 0.349124  0.898266     0.940647 0.747689     1.35874  1.03686      1.30353  0.872606 0.387514  0.913988 0.393542  
1 1 1 57 25 24 o 0.656197 0.303112  -0.0376396   0.935114 0.605869     1.43348  -0.51434     1.23378  0.821699 0.377879  0.668499 0.320743  
1 1 1 57 25 25 o 0.678742 0.308039  0.267468     0.904526 0.750493     1.28125  -0.212473    1.27715  0.794216 0.362084  0.683331 0.327489  
1 1 1 57 25 26 o 0.951062 0.366279  1.5853       0.98632  1.11063      1.38753  2.07015      1.40232  0.835799 0.379902  0.981085 0.414747  
1 1 1 57 26 0  o 0.85144  0.414545  1.13519      0.822698 1.13519      0.822698 1.13519      0.822698 0.901045 0.344101  ?        ?         
1 1 1 57 26 1  o 3.79862  0.0921784 14.5225      0.700302 13.8711      0.94066  15.3324      1.04891  3.70177  0.127055  3.8889   0.13486   
1 1 1 57 26 2  o 2.12742  0.132204  4.58602      0.562505 4.91145      0.778817 4.23112      0.813307 2.18999  0.177813  2.02615  0.200702  
1 1 1 57 26 3  o 1.05149  0.298133  1.21555      0.655819 0.515765     0.986694 1.76936      0.877768 0.889296 0.358966  1.2535   0.341094  
1 1 1 57 26 4  o 1.02706  0.307335  1.15276      0.680004 0.657867     0.992837 1.59004      0.933266 0.925044 0.364858  1.1904   0.360824  
1 1 1 57 26 5  o 2.28055  0.156401  5.2988       0.71336  3.31081      1.01005  7.27731      1.00764  1.76474  0.286176  2.66115  0.189324  
1 1 1 57 26 6  o 5.49981  0.0922427 30.4518      1.01463  29.8748      1.4125   31.0669      1.45842  5.42951  0.130076  5.53584  0.131725  
1 1 1 57 26 7  o 2.46895  0.1532    6.21508      0.756487 5.90145      1.08214  6.51483      1.05794  2.3786   0.227475  2.50637  0.21105   
1 1 1 57 26 8  o 3.2206   0.124802  10.5135      0.803871 9.86268      1.14202  11.1527      1.13174  3.0949   0.184501  3.2975   0.171605  
1 1 1 57 26 9  o 3.7963   0.112748  14.5734      0.856049 14.4762      1.21227  14.6701      1.20901  3.76191  0.161124  3.78782  0.159591  
1 1 1 57 26 10 o 1.32437  0.282201  1.94383      0.725291 0.605209     1.02313  3.29608      1.02832  0.910655 0.366382  1.72026  0.310223  
1 1 1 57 26 11 o 2.04414  0.194373  4.33886      0.794651 3.49332      1.11936  5.19797      1.12831  1.75373  0.331225  2.2084   0.255458  
1 1 1 57 26 12 o 2.3977   0.171301  5.93444      0.821457 4.65509      1.26108  6.87738      1.08265  2.05351  0.307055  2.56016  0.211442  
1 1 1 57 26 13 o 1.84276  0.207083  3.56756      0.763209 1.88225      1.11891  5.03392      1.04369  1.24534  0.398228  2.17095  0.240377  
1 1 1 57 26 14 o 0.668688 0.295273  -0.0678903   0.773924 -0.305189    1.14345  0.132714     1.05133  0.760231 0.345372  0.80309  0.349694  
1 1 1 57 26 15 f 2.4955   0.168717  6.45853      0.842066 7.3838       1.22672  5.63407      1.15797  2.62518  0.233645  2.27936  0.254012  
1 1 1 57 26 16 o 2.37247  0.170804  5.86313      0.810456 6.37215      1.20169  5.43842      1.09767  2.42015  0.248268  2.23801  0.245235  
1 1 1 57 26 17 o 1.58076  0.252189  2.75011      0.797299 2.84825      1.1491   2.659        1.10717  1.49571  0.382576  1.44719  0.378307  
1 1 1 57 26 18 o 0.622674 0.284051  -0.267266    0.791128 -0.57426     1.10251  0.0585962    1.13589  0.686456 0.321449  0.785309 0.351291  
1 1 1 57 26 19 o 0.619198 0.284046  -0.301485    0.804403 0.822484     1.11977  -1.5         1.15631  0.91641  0.377921  0.604928 0.294877  
1 1 1 57 26 20 o 1.72576  0.244     3.35521      0.842171 3.32974      1.16414  3.38317      1.21983  1.5833   0.373279  1.5783   0.38853   
1 1 1 57 26 21 o 1.59449  0.302014  3.166        0.928133 1.53752      1.30415  4.83728      1.32117  1.03095  0.414117  1.90487  0.359916  
1 1 1 57 26 22 o 1.15444  0.3627    1.91317      0.931741 0.729276     1.44655  2.75262      1.21807  0.881247 0.395261  1.32534  0.414366  
1 1 1 57 26 23 o 1.19477  0.363063  2.12102      0.944093 1.50035      1.32367  2.7637       1.34693  0.974667 0.407     1.24859  0.436602  
1 1 1 57 26 24 o 0.800275 0.335331  0.863176     0.903397 0.295479     1.29136  1.4073       1.26426  0.746186 0.349075  0.905035 0.38857   
1 1 1 57 26 25 o 0.551947 0.268386  -0.800782    0.941197 -0.423082    1.3133   -1.19962     1.34955  0.670045 0.323713  0.616581 0.303824  
1 1 1 57 26 26 o 0.841318 0.35588   1.3761       1.03354  1.73836      1.5811   1.10581      1.36572  0.838454 0.38991   0.776919 0.361713  
1 1 1 57 27 0  o 4.84139  0.116621  23.6047      1.12773  23.6047      1.12773  23.6047      1.12773  4.84994  0.0822633 ?        ?         
1 1 1 57 27 1  o 1.08454  0.282016  1.29547      0.617345 0.747542     0.82863  1.97899      0.925493 0.907969 0.339333  1.32125  0.346108  
1 1 1 57 27 2  o 2.83502  0.10229   8.10442      0.579986 8.22274      0.814587 7.98278      0.825981 2.84436  0.143193  2.80119  0.147434  
1 1 1 57 27 3  o 2.08571  0.166417  4.44823      0.694194 4.74615      1.0489   4.21603      0.926018 2.12662  0.246613  2.0104   0.230307  
1 1 1 57 27 4  o 1.00298  0.311873  1.09876      0.691275 1.66262      0.988847 0.559824     0.96675  1.20916  0.372409  0.890342 0.357     
1 1 1 57 27 5  o 3.50232  0.113626  12.4039      0.795912 12.4578      1.19081  12.3603      1.07003  3.48582  0.170808  3.48031  0.153726  
1 1 1 57 27 6  o 3.79455  0.110826  14.5537      0.841071 14.928       1.20664  14.1999      1.17298  3.82221  0.157846  3.7281   0.157316  
1 1 1 57 27 7  o 0.666658 0.288798  -0.000573389 0.710151 -0.858553    1.03105  0.773823     0.979541 0.658128 0.308661  0.943601 0.364684  
1 1 1 57 27 8  o 3.92141  0.117824  15.5726      0.924071 17.7396      1.31202  13.4394      1.30171  4.16483  0.157512  3.61273  0.180156  
1 1 1 57 27 9  o 1.0808   0.31358   1.31753      0.717435 0.606167     1.03569  1.97379      0.994764 0.910258 0.367629  1.29876  0.366838  
1 1 1 57 27 10 o 0.799083 0.315646  0.492117     0.7441   2.46696      1.1282   -1.02836     0.989939 1.43502  0.385015  0.615781 0.293477  
1 1 1 57 27 11 o 2.49866  0.160255  6.42575      0.800845 6.98347      1.26402  6.05175      1.0351   2.55482  0.24738   2.39702  0.215915  
1 1 1 57 27 12 o 2.1892   0.18782   4.99669      0.822351 4.80215      1.28119  5.13299      1.07242  2.07582  0.308598  2.18803  0.245066  
1 1 1 57 27 13 o 0.670584 0.295798  -0.0570876   0.773901 -0.29928     1.11325  0.169418     1.07659  0.750744 0.340987  0.816613 0.354698  
1 1 1 57 27 14 o 1.54318  0.255152  2.58581      0.787492 2.69035      1.16126  2.4968       1.07151  1.47169  0.388702  1.42841  0.371593  
1 1 1 57 27 15 o 1.30188  0.299399  1.97342      0.763779 2.53786      1.13805  1.51083      1.03027  1.4175   0.389574  1.1152   0.382619  
1 1 1 57 27 16 o 2.03392  0.203948  4.40959      0.829628 3.89084      1.16083  4.95118      1.18612  1.80226  0.334584  2.09536  0.283034  
1 1 1 57 27 17 f 3.16297  0.147423  10.393       0.93259  10.5678      1.31481  10.216       1.32299  3.12935  0.210078  3.07105  0.215396  
1 1 1 57 27 18 o 1.891    0.227718  3.92722      0.861229 2.68125      1.16365  5.43637      1.28067  1.41057  0.396223  2.15971  0.29649   
1 1 1 57 27 19 o 2.15314  0.204743  5.03906      0.881682 3.80495      1.19527  6.51201      1.30582  1.71754  0.359556  2.37198  0.27526   
1 1 1 57 27 20 o 2.43105  0.196524  6.46736      0.955521 6.34775      1.37201  6.58001      1.33152  2.28075  0.300779  2.34536  0.283863  
1 1 1 57 27 21 o 0.929978 0.348536  1.15764      0.875402 0.656301     1.28082  1.59712      1.19921  0.854698 0.378317  1.02945  0.40234   
1 1 1 57 27 22 o 0.523061 0.255229  -1.08431     0.874318 -2.06479     1.221    -0.0525032   1.25255  0.556696 0.277101  0.742339 0.345918  
1 1 1 57 27 23 o 0.931015 0.35308   1.3609       0.905523 0.0543381    1.25803  2.76564      1.30444  0.720521 0.338502  1.19954  0.428633  
1 1 1 57 27 24 o 0.772568 0.331899  0.776258     0.923368 1.4701       1.37891  0.212198     1.24328  0.893953 0.394517  0.719904 0.337869  
1 1 1 57 27 25 o 0.649046 0.304131  0.0639183    0.992898 -0.885587    1.36844  1.11948      1.44285  0.625191 0.307916  0.816696 0.376969  
1 1 1 57 28 0  o 2.84064  0.165742  8.247        0.934293 8.247        0.934293 8.247        0.934293 2.85638  0.116079  ?        ?         
1 1 1 57 28 1  o 2.29584  0.136113  5.3565       0.624989 5.62463      0.852246 5.04453      0.919291 2.33789  0.182269  2.20446  0.208508  
1 1 1 57 28 2  o 0.988388 0.251433  1.06949      0.498353 1.04886      0.704011 1.09021      0.705547 0.983366 0.316026  0.998767 0.315908  
1 1 1 57 28 3  o 1.01501  0.31081   1.13525      0.690129 1.20727      1.01962  1.07436      0.937516 1.06905  0.379264  1.01968  0.36348   
1 1 1 57 28 4  o 0.957012 0.317414  0.976773     0.708876 0.980418     1.01538  0.973306     0.9901   1.00573  0.375677  0.999326 0.37143   
1 1 1 57 28 5  o 1.88914  0.194755  3.69017      0.73584  2.52538      1.04499  4.83575      1.03634  1.48024  0.356667  2.14347  0.241742  
1 1 1 57 28 6  o 2.43984  0.154259  6.08605      0.752734 6.86969      1.06691  5.30937      1.06216  2.56949  0.207611  2.24596  0.23646   
1 1 1 57 28 7  o 2.57417  0.150536  6.77631      0.775009 8.23893      1.10568  5.36365      1.08663  2.81701  0.19625   2.25181  0.241279  
1 1 1 57 28 8  o 1.93191  0.199655  3.88933      0.771432 2.71214      1.13695  4.89362      1.05015  1.51034  0.377132  2.14555  0.244727  
1 1 1 57 28 9  o 0.603525 0.274903  -0.33872     0.734961 -0.404542    1.10124  -0.285855    0.986915 0.737091 0.335945  0.71448  0.323165  
1 1 1 57 28 10 o 1.67618  0.232961  2.98913      0.780966 3.03246      1.19805  2.95712      1.02984  1.58381  0.382067  1.59621  0.333443  
1 1 1 57 28 11 f 0.617919 0.28063   -0.28884     0.753605 1.38359      1.15699  -1.52123     0.993185 1.10325  0.402735  0.561507 0.273635  
1 1 1 57 28 12 o 2.03429  0.197576  4.34269      0.803855 3.12466      1.22169  5.27265      1.0675   1.59616  0.386303  2.21609  0.240851  
1 1 1 57 28 13 o 1.65563  0.232477  2.93997      0.769794 1.29604      1.11464  4.43904      1.0644   1.06683  0.394582  2.01423  0.26422   
1 1 1 57 28 14 o 1.31124  0.301137  2.00852      0.77353  1.81905      1.14219  2.16904      1.05132  1.19943  0.402913  1.31449  0.379023  
1 1 1 57 28 15 o 1.21898  0.323173  1.79566      0.800822 0.822829     1.11021  2.85086      1.15626  0.933073 0.379111  1.49225  0.384986  
1 1 1 57 28 16 o 1.78482  0.231758  3.49319      0.827291 3.07368      1.14515  3.95116      1.19647  1.54461  0.374118  1.78791  0.346984  
1 1 1 57 28 17 o 1.65867  0.249061  3.07433      0.82622  2.23606      1.13679  4.01297      1.20292  1.28196  0.400202  1.79519  0.347439  
1 1 1 57 28 18 o 1.73608  0.250691  3.40212      0.870439 2.63726      1.21555  4.20708      1.24702  1.36606  0.411338  1.81507  0.356217  
1 1 1 57 28 19 o 1.88149  0.245837  4.05352      0.925077 5.15175      1.35834  3.10355      1.26333  1.98109  0.355749  1.44888  0.414742  
1 1 1 57 28 20 o 1.56872  0.296382  3.08598      0.895962 1.52096      1.26388  4.66699      1.27031  1.0117   0.40714   1.86192  0.353906  
1 1 1 57 28 21 o 0.883846 0.341834  1.02127      0.860959 2.11281      1.27003  0.0930888    1.17114  1.13062  0.420584  0.747755 0.3429    
1 1 1 57 28 22 o 0.681622 0.308487  0.212541     0.90063  0.0755608    1.23336  0.369026     1.31824  0.724001 0.339201  0.771203 0.357629  
1 1 1 57 28 23 o 0.875979 0.348505  1.22721      0.913085 -0.176467    1.26505  2.75372      1.31924  0.682455 0.326795  1.15261  0.428677  
1 1 1 57 28 24 o 1.15283  0.377372  2.31337      1.00197  4.41653      1.55546  0.821693     1.30997  1.41954  0.470187  0.794691 0.363683  
1 1 1 57 28 25 o 1.25576  0.37972   2.9982       1.03441  2.07966      1.47244  3.89325      1.45349  0.873408 0.394908  1.19895  0.449154  
1 1 1 57 29 0  o 3.162    0.15394   10.179       0.968257 10.179       0.968257 10.179       0.968257 3.17634  0.108059  ?        ?         
1 1 1 57 29 1  o 2.04542  0.143104  4.26439      0.585418 3.75059      0.80504  4.84101      0.852838 1.89691  0.212197  2.16104  0.197321  
1 1 1 57 29 2  o 3.01697  0.118138  9.22328      0.712836 8.14961      0.954351 10.5782      1.07209  2.81654  0.169419  3.2101   0.166988  
1 1 1 57 29 3  o 2.13507  0.173139  4.69189      0.739326 4.66153      1.04427  4.72241      1.04686  2.09679  0.249017  2.11095  0.24796   
1 1 1 57 29 4  o 2.80834  0.144717  8.05337      0.812832 6.91523      1.1429   9.21827      1.15625  2.56673  0.222637  2.98052  0.193968  
1 1 1 57 29 5  o 0.510927 0.245212  -0.920758    0.722447 -1.09267     1.02262  -0.749473    1.02077  0.622222 0.296958  0.662936 0.310217  
1 1 1 57 29 6  o 0.943494 0.322459  0.957011     0.731588 0.287741     1.04914  1.59048      1.02069  0.839985 0.357078  1.16733  0.38088   
1 1 1 57 29 7  o 0.837763 0.318443  0.638361     0.737974 -0.0328024   1.07188  1.24321      1.01755  0.785462 0.34708   1.06032  0.378605  
1 1 1 57 29 8  o 2.25947  0.172299  5.28329      0.778609 4.6977       1.15052  5.7781       1.05758  2.07584  0.277121  2.33447  0.226515  
1 1 1 57 29 9  o 1.0484   0.325393  1.26537      0.75298  1.70518      1.15599  0.941237     0.992383 1.19034  0.405339  0.968937 0.368992  
1 1 1 57 29 10 o 3.26678  0.131487  10.9022      0.85908  12.2375      1.30329  9.87623      1.14239  3.42151  0.190455  3.07707  0.18563   
1 1 1 57 29 11 o 1.38887  0.27863   2.17946      0.74669  1.86265      1.14452  2.41423      0.985251 1.22667  0.403322  1.41983  0.34897   
1 1 1 57 29 12 o 2.93745  0.148964  8.89408      0.875147 7.50343      1.2963   10.0587      1.18629  2.63056  0.246392  3.09354  0.191737  
1 1 1 57 29 13 o 1.82906  0.220666  3.59131      0.807222 4.43636      1.16241  2.80421      1.12184  1.98201  0.293239  1.49735  0.375058  
1 1 1 57 29 14 o 1.41992  0.30078   2.37434      0.828065 0.801629     1.14264  4.11386      1.20171  0.931897 0.382603  1.84659  0.337967  
1 1 1 57 29 15 o 0.879021 0.3334    0.834917     0.807469 0.300725     1.14039  1.37201      1.14348  0.825635 0.361812  1.04966  0.397151  
1 1 1 57 29 16 o 2.29146  0.191074  5.61478      0.875677 3.93618      1.22729  7.3555       1.2498   1.76361  0.360403  2.5726   0.242906  
1 1 1 57 29 17 o 0.675013 0.301742  -0.0205289   0.836763 -0.328069    1.2064   0.264586     1.16159  0.737202 0.341962  0.811142 0.3595    
1 1 1 57 29 18 o 0.947142 0.344027  1.15074      0.843342 0.527169     1.18912  1.78181      1.19624  0.841316 0.369067  1.10259  0.408577  
1 1 1 57 29 19 o 2.1773   0.20213   5.26137      0.880197 5.89387      1.23542  4.60933      1.25437  2.208    0.27976   1.85609  0.350697  
1 1 1 57 29 20 o 0.830108 0.331824  0.819467     0.831546 1.10188      1.15925  0.520137     1.19346  0.916015 0.381592  0.81543  0.362546  
1 1 1 57 29 21 o 0.7757   0.326817  0.696368     0.865929 0.498944     1.23548  0.886993     1.21402  0.785387 0.357387  0.842035 0.371076  
1 1 1 57 29 22 o 0.704098 0.312903  0.419564     0.887994 -0.871534    1.23556  1.79891      1.27709  0.617915 0.301885  0.967478 0.401614  
1 1 1 57 29 23 o 1.1283   0.368846  2.13119      0.957208 2.18755      1.36876  2.07724      1.33912  1.02244  0.419092  1.00682  0.413919  
1 1 1 57 29 24 o 0.563285 0.273596  -0.478891    0.973372 1.48262      1.40928  -2.26822     1.34601  0.811005 0.373663  0.521401 0.263601  
1 1 1 57 30 0  o 0.716494 0.41491   0.769857     0.949655 0.769857     0.949655 0.769857     0.949655 0.697311 0.366941  ?        ?         
1 1 1 57 30 1  o 2.46383  0.128084  6.17846      0.631155 6.21526      0.808067 6.12089      1.01074  2.45725  0.164425  2.41737  0.209058  
1 1 1 57 30 2  o 0.692796 0.294136  0.138373     0.710276 0.154226     1.01778  0.123322     0.99169  0.803744 0.346927  0.789587 0.341653  
1 1 1 57 30 3  o 1.26851  0.281768  1.80885      0.696061 2.47818      0.981904 1.13272      0.986872 1.45673  0.342422  1.02715  0.372245  
1 1 1 57 30 4  o 0.889716 0.319366  0.809762     0.724878 -0.0442631   1.05132  1.58368      1.0008   0.776527 0.343357  1.16034  0.377152  
1 1 1 57 30 5  o 2.4452   0.157922  6.15274      0.7723   6.29116      1.13005  6.03142      1.05791  2.43289  0.232244  2.38856  0.221454  
1 1 1 57 30 6  f 2.58314  0.151705  6.85666      0.783749 6.00067      1.14737  7.60546      1.07313  2.36803  0.242263  2.69473  0.199116  
1 1 1 57 30 7  o 0.956681 0.328183  1.00703      0.75794  0.502984     1.15871  1.384        1.00205  0.902916 0.379121  1.09361  0.377136  
1 1 1 57 30 8  o 3.21597  0.133338  10.5719      0.857618 9.51285      1.27178  11.4552      1.16143  3.00127  0.211874  3.32172  0.174823  
1 1 1 57 30 9  o 1.04979  0.322556  1.27809      0.742422 1.46868      1.11996  1.12869      0.991601 1.11734  0.397378  1.01466  0.372602  
1 1 1 57 30 10 o 2.22177  0.176638  5.1439       0.784897 4.50022      1.16668  5.67612      1.06087  2.0098   0.290248  2.30109  0.230515  
1 1 1 57 30 11 o 1.07852  0.333234  1.38512      0.7909   1.85974      1.11776  0.909233     1.11925  1.21431  0.398579  0.965796 0.385343  
1 1 1 57 30 12 o 2.70456  0.165653  7.62679      0.896038 6.53907      1.2661   8.71827      1.26828  2.432    0.2603    2.84459  0.222929  
1 1 1 57 30 13 o 1.2974   0.317432  2.03352      0.818047 0.940662     1.16681  3.09         1.14723  0.960853 0.389322  1.55952  0.372412  
1 1 1 57 30 14 o 1.01918  0.347036  1.28149      0.847356 1.10565      1.21846  1.44618      1.17919  0.992174 0.39956   1.06778  0.403511  
1 1 1 57 30 15 o 0.686138 0.302366  0.0652184    0.805991 0.950122     1.17295  -0.726377    1.10939  0.949207 0.38833   0.666822 0.314611  
1 1 1 57 30 16 o 0.558861 0.266437  -0.722987    0.817663 -1.11304     1.19933  -0.384242    1.11768  0.647552 0.312034  0.704607 0.327728  
1 1 1 57 30 17 o 1.04058  0.339233  1.43229      0.809679 2.62574      1.11182  0.0846227    1.18147  1.35876  0.389122  0.770746 0.350393  
1 1 1 57 30 18 o 1.79533  0.241526  3.72667      0.867237 3.18459      1.20013  4.31908      1.2546   1.46838  0.398516  1.77614  0.365699  
1 1 1 57 30 19 o 0.728302 0.315107  0.376006     0.84343  0.920239     1.16489  -0.223687    1.2228   0.88201  0.375641  0.720038 0.337417  
1 1 1 57 30 20 o 0.769174 0.323177  0.653884     0.842898 -0.027627    1.19377  1.33146      1.19031  0.716276 0.335247  0.929629 0.386929  
1 1 1 57 30 21 o 0.600291 0.282018  -0.230867    0.87321  -0.861339    1.23001  0.40975      1.23986  0.620015 0.302572  0.752551 0.348156  
1 1 1 57 30 22 o 0.692806 0.308804  0.377752     0.870769 0.713492     1.23444  0.0452412    1.22849  0.786822 0.357825  0.702825 0.331442  
1 1 1 57 30 23 o 1.03498  0.380465  2.11056      1.03413  2.03991      1.44893  2.18391      1.47642  0.915042 0.404041  0.932082 0.410048  
1 1 1 57 31 0  o 0.614829 0.382802  0.407358     0.924424 0.407358     0.924424 0.407358     0.924424 0.560802 0.335353  ?        ?         
1 1 1 57 31 1  f 0.867639 0.287738  0.813838     0.582522 -0.533641    0.750848 2.85109      0.923238 0.576247 0.268252  1.58492  0.30211   
1 1 1 57 31 2  o 3.77918  0.111585  14.4978      0.843401 13.8714      1.29027  14.965       1.11445  3.65643  0.176438  3.81976  0.14588   
1 1 1 57 31 3  o 0.689678 0.296071  0.102394     0.733826 -0.303052    1.13172  0.396531     0.963931 0.757691 0.344052  0.831628 0.347297  
1 1 1 57 31 4  o 1.1265   0.320638  1.47648      0.757145 1.8292       1.18587  1.23373      0.983761 1.22347  0.410543  1.04795  0.372459  
1 1 1 57 31 5  o 1.4284   0.276263  2.28989      0.761061 2.59616      1.16922  2.06472      1.00252  1.44969  0.393308  1.30635  0.368034  
1 1 1 57 31 6  o 0.621009 0.283532  -0.360129    0.790973 -0.270628    1.18641  -0.431742    1.06124  0.777084 0.352701  0.713458 0.326855  
1 1 1 57 31 7  o 0.965306 0.333413  1.03693      0.78344  1.23647      1.20886  0.892426     1.02872  1.0638   0.40663   0.956306 0.37287   
1 1 1 57 31 8  o 0.710289 0.302924  0.1683       0.759391 0.612301     1.169    -0.155856    0.998846 0.918008 0.382856  0.730498 0.328027  
1 1 1 57 31 9  o 4.29921  0.120075  18.8645      1.03246  17.7842      1.50007  19.8368      1.42319  4.12074  0.182015  4.37188  0.162767  
1 1 1 57 31 10 o 1.81896  0.241502  3.60233      0.878568 4.08023      1.21884  3.08547      1.26756  1.84529  0.343081  1.54518  0.405181  
1 1 1 57 31 11 o 2.67245  0.165195  7.45694      0.882949 5.28147      1.26801  9.50463      1.23021  2.1508   0.294776  2.98121  0.206327  
1 1 1 57 31 12 o 0.638092 0.292327  -0.312943    0.84886  -0.7292      1.274    0.0194006    1.13836  0.720842 0.339231  0.781247 0.350516  
1 1 1 57 31 13 o 1.93502  0.215594  4.06778      0.834356 3.85171      1.22079  4.25718      1.14296  1.74555  0.361846  1.91118  0.299021  
1 1 1 57 31 14 o 1.77546  0.24894   3.52912      0.883966 3.55982      1.33683  3.50527      1.17835  1.61202  0.412835  1.65136  0.366443  
1 1 1 57 31 15 o 0.80188  0.321974  0.620889     0.787901 1.40089      1.10876  -0.17478     1.11984  1.03135  0.390825  0.731224 0.335314  
1 1 1 57 31 16 o 0.974006 0.336658  1.2375       0.798886 0.918512     1.08424  1.61637      1.18162  0.899064 0.371436  1.05965  0.402901  
1 1 1 57 31 17 o 1.1699   0.33279   1.84976      0.815864 1.64193      1.11987  2.08484      1.19103  1.04983  0.394061  1.15414  0.409859  
1 1 1 57 31 18 o 0.812882 0.328186  0.752818     0.824963 0.159575     1.1511   1.37928      1.18289  0.755643 0.34415   0.975297 0.393304  
1 1 1 57 31 19 o 0.571629 0.271877  -0.498027    0.845603 0.752583     1.2055   -1.70942     1.18645  0.83058  0.367412  0.562307 0.278943  
1 1 1 57 31 20 o 0.913402 0.346369  1.30466      0.871361 1.4816       1.23631  1.13         1.22831  0.920502 0.389294  0.859229 0.376024  
1 1 1 57 31 21 o 1.02707  0.35816   1.75246      0.905896 2.03811      1.2754   1.46163      1.28694  1.00936  0.407834  0.899992 0.389311  
1 1 1 57 31 22 o 0.642182 0.298824  0.0976893    0.930528 0.525892     1.33327  -0.30898     1.29932  0.743086 0.348954  0.657699 0.318477  
1 1 1 57 32 0  o 1.3742   0.392541  2.4341       0.934025 2.4341       0.934025 2.4341       0.934025 1.48169  0.242466  ?        ?         
1 1 1 57 32 1  o 1.51405  0.192285  2.39983      0.582258 2.29985      0.768102 2.5349       0.892759 1.42895  0.278708  1.48222  0.311077  
1 1 1 57 32 2  f 2.83837  0.137332  8.25041      0.779599 7.46383      1.20691  8.81358      1.02124  2.6452   0.228132  2.91194  0.175354  
1 1 1 57 32 3  o 3.2401   0.126796  10.7163      0.821663 12.2361      1.31732  9.74854      1.05121  3.41663  0.19278   3.06434  0.171524  
1 1 1 57 32 4  o 1.32894  0.301003  2.03786      0.781596 1.09104      1.22168  2.69395      1.01696  1.03083  0.405316  1.50395  0.345209  
1 1 1 57 32 5  o 3.64522  0.123188  13.5583      0.898097 14.355       1.42663  13.0353      1.15588  3.69713  0.192937  3.54751  0.162915  
1 1 1 57 32 6  o 1.29136  0.313429  1.95912      0.802468 -0.0901419   1.25415  3.37968      1.0442   0.815953 0.366932  1.70433  0.318161  
1 1 1 57 32 7  o 2.89147  0.14624   8.62085      0.845699 7.90927      1.24668  9.22744      1.15103  2.71023  0.229995  2.95749  0.194596  
1 1 1 57 32 8  o 0.83419  0.328844  0.631191     0.806102 1.03834      1.16771  0.260523     1.11417  0.995955 0.394782  0.828382 0.360338  
1 1 1 57 32 9  o 1.54959  0.280962  2.75878      0.838707 2.29632      1.18271  3.2266       1.18955  1.31877  0.407506  1.59755  0.377773  
1 1 1 57 32 10 o 2.16124  0.199305  4.98919      0.861489 3.64588      1.24137  6.23718      1.19652  1.69294  0.376491  2.37056  0.252371  
1 1 1 57 32 11 o 2.04258  0.205629  4.49475      0.840027 4.10695      1.22621  4.8377       1.15311  1.81883  0.34956   2.05666  0.280336  
1 1 1 57 32 12 o 1.3441   0.32391   2.23106      0.861759 1.72539      1.27346  2.65824      1.17046  1.13115  0.421078  1.40221  0.398516  
1 1 1 57 32 13 f 0.891049 0.331672  0.903366     0.790063 0.567227     1.12155  1.23448      1.11314  0.861233 0.367744  1.00323  0.388545  
1 1 1 57 32 14 o 0.948688 0.341521  1.12682      0.82947  1.08314      1.16899  1.17111      1.17714  0.95391  0.388535  0.973374 0.392422  
1 1 1 57 32 15 o 0.738389 0.311111  0.424145     0.784757 0.893841     1.07685  -0.10781     1.146    0.889822 0.369046  0.73209  0.337171  
1 1 1 57 32 16 o 0.762942 0.317806  0.546883     0.804015 0.369181     1.11077  0.742459     1.16529  0.78471  0.349299  0.856262 0.370426  
1 1 1 57 32 17 o 0.541215 0.259559  -0.707568    0.805751 0.0731058    1.1328   -1.50701     1.14633  0.739346 0.338289  0.576655 0.284045  
1 1 1 57 32 18 o 0.611813 0.28193   -0.12368     0.802679 0.134034     1.12902  -0.387075    1.1414   0.728236 0.335091  0.666609 0.31649   
1 1 1 57 32 19 o 0.68664  0.305145  0.337873     0.844497 0.901048     1.2152   -0.188163    1.17445  0.823054 0.365887  0.675305 0.320818  
1 1 1 57 32 20 o 0.881022 0.342588  1.22717      0.867193 0.633282     1.22462  1.82452      1.22818  0.771926 0.352586  0.972076 0.397474  
1 1 1 57 32 21 o 0.854946 0.343385  1.18989      0.896557 2.7055       1.30536  -0.1635      1.23353  1.11865  0.424017  0.668277 0.320654  
1 1 1 57 33 0  o 0.866397 0.446055  1.27106      0.977394 1.27106      0.977394 1.27106      0.977394 0.919156 0.380299  ?        ?         
1 1 1 57 33 1  o 4.59644  0.0997876 21.4225      0.917336 20.3554      1.30866  22.4534      1.28625  4.44456  0.14722   4.67681  0.137513  
1 1 1 57 33 2  o 2.04271  0.188459  4.38283      0.769935 4.95269      1.1635   3.93889      1.02694  2.11493  0.27507   1.88816  0.271943  
1 1 1 57 33 3  o 2.13651  0.175516  4.76759      0.749982 5.57029      1.21748  4.27672      0.952071 2.24425  0.271245  1.98756  0.239508  
1 1 1 57 33 4  o 3.31896  0.1282    11.2834      0.850983 10.3566      1.29593  11.986       1.12835  3.12063  0.207639  3.39371  0.166241  
1 1 1 57 33 5  o 0.820414 0.32206   0.609974     0.770171 0.510308     1.18091  0.683743     1.01598  0.889885 0.378581  0.89136  0.362496  
1 1 1 57 33 6  o 1.2043   0.327349  1.75423      0.808995 2.17456      1.15658  1.35157      1.132    1.29064  0.403822  1.06414  0.39683   
1 1 1 57 33 7  o 0.930557 0.334874  0.977016     0.797435 0.664135     1.08564  1.34363      1.17516  0.893314 0.370524  1.05826  0.401967  
1 1 1 57 33 8  o 1.05314  0.334995  1.35747      0.792551 2.28009      1.1034   0.374142     1.13912  1.31613  0.391018  0.84264  0.365411  
1 1 1 57 33 9  o 0.827717 0.326508  0.663189     0.795177 0.21264      1.1462   1.08123      1.10408  0.811876 0.358812  0.976387 0.384868  
1 1 1 57 33 10 o 3.25214  0.144387  10.9896      0.939135 9.54059      1.34912  12.3518      1.3081   2.9484   0.228789  3.39927  0.192409  
1 1 1 57 33 11 o 1.20721  0.327426  1.82199      0.810465 0.713197     1.1605   2.87764      1.13236  0.898175 0.378378  1.47568  0.381115  
1 1 1 57 33 12 o 1.09603  0.342624  1.54749      0.832836 0.638323     1.19254  2.41308      1.16361  0.879822 0.377554  1.31062  0.404044  
1 1 1 57 33 13 o 0.569848 0.269055  -0.590679    0.814228 0.100526     1.19956  -1.18121     1.10877  0.780641 0.354405  0.606038 0.293622  
1 1 1 57 33 14 o 1.45495  0.295352  2.63139      0.829516 2.20562      1.15547  3.0842       1.19159  1.20758  0.405248  1.45557  0.398012  
1 1 1 57 33 15 o 0.766946 0.321237  0.549132     0.828497 -1.46483     1.14973  2.72452      1.19492  0.583627 0.286756  1.32796  0.409455  
1 1 1 57 33 16 o 1.48181  0.295718  2.78169      0.845366 1.8099       1.17433  3.82695      1.21791  1.0729   0.40337   1.63432  0.37955   
1 1 1 57 33 17 o 1.34187  0.313854  2.44275      0.828139 3.16197      1.15744  1.68838      1.18539  1.41611  0.394319  1.0055   0.398012  
1 1 1 57 33 18 o 0.882576 0.33958   1.18459      0.847346 0.913897     1.2248   1.43308      1.1735   0.825123 0.367053  0.916772 0.383047  
1 1 1 57 33 19 o 0.813187 0.332381  0.962723     0.858527 0.328685     1.21564  1.59363      1.21264  0.730982 0.340687  0.927551 0.388579  
1 1 1 57 33 20 o 0.845399 0.343866  1.147        0.914387 1.22732      1.2188   1.04358      1.38298  0.847639 0.372731  0.820111 0.374634  
1 1 1 57 33 21 o 0.484984 0.244041  -1.79036     1.06586  -2.2019      1.43038  -1.27655     1.59826  0.537533 0.271756  0.605473 0.303568  
1 1 1 57 34 0  o 0.980087 0.486984  1.67844      1.14437  1.67844      1.14437  1.67844      1.14437  1.06968  0.404945  ?        ?         
1 1 1 57 34 1  o 2.32561  0.1697    5.65485      0.789309 6.59276      1.3618   5.18038      0.968599 2.41982  0.281386  2.19258  0.220881  
1 1 1 57 34 2  o 0.478691 0.233607  -1.16392     0.733267 -0.803098    1.14259  -1.41658     0.956134 0.67939  0.320172  0.54801  0.267313  
1 1 1 57 34 3  o 3.0022   0.158139  9.37815      0.949527 8.78619      1.40582  9.87476      1.28762  2.82463  0.24885   3.03269  0.212291  
1 1 1 57 34 4  o 1.47635  0.29915   2.561        0.85248  2.60298      1.14419  2.50862      1.27806  1.4126   0.391636  1.35754  0.42445   
1 1 1 57 34 5  o 3.36324  0.137565  11.6796      0.925331 12.7389      1.3081   10.6187      1.30913  3.46392  0.188818  3.14283  0.208273  
1 1 1 57 34 6  o 0.735354 0.313563  0.270054     0.813434 -0.608898    1.14036  1.18055      1.16064  0.693917 0.325296  1.00584  0.395198  
1 1 1 57 34 7  o 2.9008   0.155631  8.78945      0.902909 9.14202      1.2583   8.41522      1.29636  2.9009   0.216881  2.76474  0.234446  
1 1 1 57 34 8  o 1.13692  0.336684  1.62386      0.81896  0.607072     1.18496  2.55368      1.13315  0.885913 0.37813   1.38081  0.39201   
1 1 1 57 34 9  o 1.34488  0.311108  2.20544      0.82082  2.53782      1.19966  1.91288      1.12552  1.35503  0.408766  1.18593  0.399961  
1 1 1 57 34 10 o 0.730449 0.310366  0.310351     0.791926 0.22832      1.11186  0.394815     1.12822  0.79629  0.35247   0.828197 0.361427  
1 1 1 57 34 11 o 1.20226  0.326548  1.85367      0.805415 2.21266      1.14869  1.5065       1.12961  1.24005  0.404057  1.05049  0.395482  
1 1 1 57 34 12 o 1.97173  0.218516  4.33807      0.861712 2.46193      1.22538  6.17351      1.21202  1.27415  0.417328  2.29888  0.26361   
1 1 1 57 34 13 o 1.4703   0.284475  2.66295      0.80667  2.63196      1.12514  2.69573      1.15714  1.33478  0.394455  1.34286  0.400726  
1 1 1 57 34 14 o 1.88923  0.235715  4.11489      0.890641 4.65814      1.26106  3.57423      1.25806  1.85925  0.351927  1.54997  0.402376  
1 1 1 57 34 15 o 1.82171  0.233583  3.84065      0.851042 2.78979      1.18132  4.97452      1.22709  1.33572  0.40617   1.97368  0.310864  
1 1 1 57 34 16 o 0.713481 0.309315  0.44102      0.815796 0.77632      1.14833  0.0993627    1.15917  0.819597 0.36108   0.721282 0.334817  
1 1 1 57 34 17 o 1.41951  0.313971  2.81482      0.867632 2.0212       1.2372   3.58282      1.21708  1.02854  0.406781  1.45347  0.404228  
1 1 1 57 34 18 o 0.614309 0.28795   -0.132306    0.8928   0.646871     1.19355  -1.12211     1.34523  0.771164 0.351009  0.618677 0.304699  
1 1 1 57 34 19 o 0.723858 0.319014  0.576009     0.897426 0.247045     1.20739  0.982097     1.34148  0.710723 0.333452  0.812232 0.370351  
1 1 1 57 34 20 o 0.691094 0.318631  0.556228     1.02701  -0.751537    1.40186  2.07126      1.50887  0.609482 0.302478  0.867385 0.394767  
1 1 1 57 35 0  o 0.854869 0.476103  1.3291       1.19122  1.3291       1.19122  1.3291       1.19122  0.891132 0.421018  ?        ?         
1 1 1 57 35 1  o 2.03341  0.252001  4.61115      1.02484  5.60516      1.35889  3.30004      1.56066  2.18314  0.311224  1.49127  0.469589  
1 1 1 57 35 2  o 2.5976   0.176216  7.12934      0.915477 6.7765       1.21728  7.58875      1.38901  2.47001  0.246412  2.59021  0.268126  
1 1 1 57 35 3  o 1.09284  0.345078  1.50138      0.842124 2.1161       1.13472  0.747696     1.25645  1.25149  0.401116  0.925887 0.392056  
1 1 1 57 35 4  o 2.35854  0.18292   5.90789      0.862848 6.20923      1.17758  5.55854      1.26792  2.35978  0.24951   2.19449  0.288888  
1 1 1 57 35 5  o 2.20025  0.202609  5.21461      0.891582 5.09166      1.21163  5.3598       1.31668  2.09918  0.288596  2.13325  0.308609  
1 1 1 57 35 6  o 0.698622 0.30919   0.0469916    0.855125 -1.56285     1.1405   2.11406      1.29235  0.593833 0.290101  1.22398  0.427695  
1 1 1 57 35 7  o 2.49484  0.184881  6.63713      0.922497 6.87656      1.32056  6.40892      1.28923  2.45561  0.268886  2.36687  0.272348  
1 1 1 57 35 8  o 0.727497 0.31124   0.283462     0.806107 1.04715      1.163    -0.422669    1.11832  0.958414 0.388542  0.701366 0.326838  
1 1 1 57 35 9  o 0.879533 0.333225  0.901565     0.805883 1.77391      1.15211  0.0658509    1.12766  1.1192   0.402539  0.764105 0.345535  
1 1 1 57 35 10 o 0.732739 0.312517  0.360275     0.808334 0.718841     1.15805  0.0195801    1.12882  0.870226 0.372698  0.750195 0.341437  
1 1 1 57 35 11 f 1.78644  0.229377  3.62055      0.819537 3.73795      1.17657  3.50991      1.1422   1.6576   0.364763  1.6051   0.364095  
1 1 1 57 35 12 o 1.51116  0.29602   2.86795      0.862765 2.64457      1.22199  3.08998      1.21829  1.29729  0.416301  1.42828  0.406786  
1 1 1 57 35 13 o 1.61309  0.263571  3.10645      0.850327 3.04831      1.20724  3.16368      1.1979   1.41216  0.405824  1.4508   0.40011   
1 1 1 57 35 14 o 0.782263 0.325374  0.646946     0.840837 1.05597      1.1749   0.217496     1.20387  0.898443 0.379711  0.765845 0.349716  
1 1 1 57 35 15 o 0.437624 0.218812  -1.676       0.805114 -0.294296    1.15913  -2.96397     1.11913  0.669064 0.318264  0.465534 0.236146  
1 1 1 57 35 16 o 0.581716 0.274813  -0.321879    0.851043 -1.25568     1.13906  0.858064     1.28042  0.56755  0.279536  0.813941 0.368126  
1 1 1 57 35 17 o 0.669706 0.303174  0.255346     0.870432 -0.164221    1.20522  0.712794     1.25845  0.675065 0.322226  0.786237 0.358555  
1 1 1 57 35 18 o 0.467509 0.233648  -1.64998     0.911952 -3.35461     1.25575  0.252297     1.32655  ?        ?         0.723896 0.342508  
1 1 1 57 35 19 o 0.635281 0.297473  0.217417     0.943834 -0.259989    1.41145  0.603557     1.26939  0.64383  0.316782  0.707106 0.334792  
1 1 1 57 36 0  o 0.999169 0.521102  1.8951       1.34484  1.8951       1.34484  1.8951       1.34484  1.09768  0.444701  ?        ?         
1 1 1 57 36 1  f 0.936303 0.364227  0.992884     0.980405 -0.469481    1.31943  2.79566      1.46497  0.755617 0.353238  1.37054  0.456305  
1 1 1 57 36 2  o 0.851538 0.340335  0.716577     0.874544 0.643443     1.14942  0.817116     1.34768  0.882883 0.374473  0.944582 0.403218  
1 1 1 57 36 3  o 0.896776 0.351571  0.871531     0.917117 2.09777      1.19584  -0.879738    1.4291   1.22727  0.412267  0.738849 0.352245  
1 1 1 57 36 4  o 0.982945 0.36277   1.1836       0.941142 1.1015       1.2018   1.31378      1.51338  0.9794   0.395824  1.0439   0.435503  
1 1 1 57 36 5  o 0.772291 0.332643  0.339858     0.931915 0.228501     1.2197   0.496039     1.44448  0.818233 0.365072  0.89892  0.399332  
1 1 1 57 36 6  o 0.591734 0.278702  -0.593256    0.863368 -0.961261    1.15692  -0.13072     1.29703  0.647631 0.310696  0.779183 0.358796  
1 1 1 57 36 7  o 1.36938  0.318464  2.36902      0.856492 2.65771      1.18493  2.05316      1.23944  1.35677  0.405637  1.17579  0.418049  
1 1 1 57 36 8  o 0.514615 0.250328  -1.0598      0.820165 -1.62284     1.13167  -0.436884    1.19033  0.57325  0.28237   0.704026 0.33045   
1 1 1 57 36 9  o 2.55328  0.171814  7.01025      0.877376 8.70106      1.23408  5.28213      1.24762  2.78101  0.221876  2.07214  0.301047  
1 1 1 57 36 10 o 1.1987   0.334429  1.94541      0.831759 2.00807      1.1667   1.88064      1.18611  1.13714  0.405468  1.10135  0.407097  
1 1 1 57 36 11 o 2.80699  0.180599  8.58862      1.01388  7.27766      1.48882  9.72234      1.38453  2.39961  0.310221  2.8997   0.238737  
1 1 1 57 36 12 o 0.84301  0.345729  0.843938     0.931989 -0.924381    1.28213  2.8252       1.35713  0.659596 0.318869  1.28652  0.43919   
1 1 1 57 36 13 o 1.34783  0.333908  2.5393       0.896615 3.10402      1.24159  1.92382      1.29619  1.36644  0.416578  1.05016  0.416038  
1 1 1 57 36 14 o 1.69454  0.269322  3.63859      0.912755 4.12058      1.23411  3.05654      1.35617  1.62044  0.385809  1.25228  0.438077  
1 1 1 57 36 15 o 0.63497  0.293777  0.0146713    0.882969 -2.21681     1.24479  2.27449      1.25266  0.529187 0.266267  1.0681   0.412486  
1 1 1 57 36 16 f 0.478583 0.238705  -1.63412     0.929044 -2.67035     1.36539  -0.740762    1.26777  0.534983 0.269848  0.634423 0.309166  
1 1 1 57 36 17 o 0.888081 0.343497  1.31217      0.869391 0.172531     1.27574  2.30037      1.18796  0.706354 0.334999  1.06088  0.403801  
1 1 1 57 36 18 o 0.894849 0.35238   1.57449      0.924702 1.50971      1.41667  1.62258      1.22058  0.808167 0.373223  0.843403 0.371826  
1 1 1 57 37 0  o 0.754248 0.461191  0.982031     1.29523  0.982031     1.29523  0.982031     1.29523  0.742146 0.415786  ?        ?         
1 1 1 57 37 1  o 0.694552 0.314168  -0.0501382   0.932854 0.55887      1.30455  -0.687409    1.33447  0.875591 0.385318  0.721843 0.342477  
1 1 1 57 37 2  o 2.17358  0.234018  5.30378      1.01732  5.09384      1.42277  5.52339      1.45518  1.95736  0.37689   2.05113  0.368084  
1 1 1 57 37 3  o 1.47368  0.365719  2.9164       1.07418  5.03789      1.68004  1.44942      1.39705  1.81684  0.461336  1.03321  0.423437  
1 1 1 57 37 4  f 0.573552 0.275494  -0.866248    0.916578 -1.47829     1.22394  -0.0847176   1.38307  0.614226 0.300171  0.793067 0.367211  
1 1 1 57 37 5  o 2.00911  0.240894  4.60307      0.967964 5.26627      1.28223  3.72438      1.47593  2.06749  0.310095  1.53997  0.450728  
1 1 1 57 37 6  f 0.86265  0.351668  0.839348     0.958507 1.2652       1.27435  0.284574     1.45451  0.975237 0.402782  0.840314 0.384004  
1 1 1 57 37 7  o 1.15046  0.372497  1.90297      0.976766 1.42713      1.26648  2.60151      1.5345   0.999251 0.40531   1.22204  0.460747  
1 1 1 57 37 8  o 2.16239  0.216794  5.27238      0.937587 4.84096      1.28668  5.76081      1.36905  1.89963  0.351886  2.1209   0.322751  
1 1 1 57 37 9  o 0.708511 0.314602  0.204193     0.895159 -1.63602     1.20304  2.48687      1.33988  0.584861 0.288043  1.2183   0.434509  
1 1 1 57 37 10 o 1.65595  0.299973  3.48023      0.956957 4.39835      1.31344  2.44142      1.39711  1.74813  0.386004  1.18559  0.441106  
1 1 1 57 37 11 o 0.879825 0.349071  1.03935      0.913736 1.55952      1.2867   0.510169     1.29781  0.990232 0.406187  0.815014 0.369509  
1 1 1 57 37 12 o 1.34298  0.367441  2.78284      1.0152   1.25121      1.44901  4.25949      1.42277  0.896508 0.399011  1.55337  0.438701  
1 1 1 57 37 13 o 1.38688  0.337815  2.82302      0.929649 1.90455      1.29626  3.79574      1.334    0.995449 0.407904  1.44526  0.430053  
1 1 1 57 37 14 o 1.33886  0.343169  2.73041      0.923143 2.70598      1.3517   2.75176      1.26377  1.1245   0.42994   1.16876  0.421472  
1 1 1 57 37 15 o 0.665805 0.303392  0.192642     0.89714  0.819414     1.4266   -0.21738     1.15386  0.811097 0.374559  0.661556 0.31566   
1 1 1 57 37 16 o 1.11489  0.34478   2.05169      0.846402 2.06588      1.2562   2.0399       1.14544  0.971608 0.400415  0.99337  0.391868  
1 1 1 57 38 0  o 1.19872  0.549252  2.74537      1.42768  2.74537      1.42768  2.74537      1.42768  1.40434  0.414028  ?        ?         
1 1 1 57 38 1  o 1.94333  0.264298  4.45096      1.02724  4.60719      1.50394  4.31433      1.40642  1.74534  0.432496  1.71372  0.41431   
1 1 1 57 38 2  o 0.632161 0.296355  -0.414515    0.946725 -0.700819    1.37832  -0.158797    1.30262  0.714722 0.341974  0.755457 0.352315  
1 1 1 57 38 3  o 1.19165  0.361757  2.00102      0.93762  1.85873      1.34509  2.13551      1.3077   1.08618  0.425781  1.1539   0.427267  
1 1 1 57 38 4  o 0.71847  0.31819   0.224114     0.907692 2.10113      1.30145  -1.55372     1.2666   1.14124  0.425513  0.610933 0.300431  
1 1 1 57 38 5  o 0.662274 0.304831  -0.148373    0.935088 0.640498     1.34012  -0.896894    1.30539  0.859573 0.383116  0.673562 0.324805  
1 1 1 57 38 6  o 2.67366  0.188117  7.84375      1.00592  7.76843      1.35481  7.93629      1.50168  2.5526   0.265377  2.52929  0.296858  
1 1 1 57 38 7  o 0.676035 0.308698  -0.048833    0.93797  -0.534738    1.28976  0.496659     1.36655  0.701902 0.334631  0.837686 0.37951   
1 1 1 57 38 8  o 3.53344  0.15934   13.3953      1.12604  12.8504      1.56734  13.9766      1.61882  3.33126  0.235247  3.47943  0.232628  
1 1 1 57 38 9  o 1.23765  0.360143  2.24506      0.944961 1.63206      1.3144   2.90084      1.35949  1.00197  0.410691  1.28203  0.439553  
1 1 1 57 38 10 o 1.11763  0.361583  1.95588      0.920498 2.13818      1.31211  1.77921      1.29169  1.06821  0.420038  0.996942 0.407628  
1 1 1 57 38 11 o 0.633874 0.294601  -0.067097    0.900929 -0.0268794   1.31328  -0.10285     1.23824  0.718016 0.340228  0.698127 0.330597  
1 1 1 57 38 12 o 0.608683 0.286517  -0.217633    0.90986  0.314366     1.34541  -0.665992    1.23513  0.746551 0.350574  0.634229 0.308098  
1 1 1 57 38 13 o 0.742226 0.32085   0.638906     0.872998 0.37406      1.22192  0.91504      1.24769  0.738871 0.343281  0.813672 0.365942  
1 1 1 57 38 14 o 0.753237 0.325343  0.70922      0.896225 0.861094     1.22968  0.537135     1.30894  0.797361 0.360686  0.760115 0.353976  
1 1 1 57 38 15 o 0.740947 0.321555  0.802603     0.883358 0.929095     1.32262  0.700743     1.18688  0.7653   0.356171  0.733468 0.339828  
1 1 1 57 39 0  o 3.81875  0.217321  15.6615      1.64749  15.6615      1.64749  15.6615      1.64749  3.88951  0.150265  ?        ?         
1 1 1 57 39 1  o 1.57255  0.325664  3.24346      0.98969  2.53222      1.35855  4.04774      1.44468  1.22455  0.437446  1.59274  0.439458  
1 1 1 57 39 2  o 1.08907  0.36885   1.7304       0.957232 1.17795      1.35694  2.27765      1.35055  0.941949 0.403426  1.16456  0.433612  
1 1 1 57 39 3  o 1.15734  0.365325  1.94219      0.9439   2.07127      1.33989  1.81502      1.32992  1.11586  0.427645  1.06183  0.421179  
1 1 1 57 39 4  o 0.848942 0.347516  0.859542     0.939905 0.490478     1.36035  1.19667      1.30015  0.833219 0.378007  0.938398 0.398157  
1 1 1 57 39 5  o 2.59053  0.195118  7.44759      1.01092  7.86901      1.44815  7.04703      1.41186  2.52305  0.286983  2.37027  0.297828  
1 1 1 57 39 6  o 1.12339  0.363698  1.86876      0.931182 0.941905     1.3203   2.7861       1.31351  0.885633 0.388698  1.27608  0.432073  
1 1 1 57 39 7  o 2.23147  0.229891  5.84228      1.02599  5.30291      1.46618  6.35984      1.43622  1.8504   0.407188  2.16524  0.331655  
1 1 1 57 39 8  o 1.09012  0.369294  1.92402      0.959539 0.418385     1.37433  3.356        1.3403   0.783345 0.363989  1.35013  0.436263  
1 1 1 57 39 9  o 0.697484 0.311165  0.349582     0.885882 -0.301924    1.22061  1.07473      1.28774  0.673883 0.322285  0.8553   0.378864  
1 1 1 57 39 10 o 0.730099 0.323212  0.527449     0.935325 0.114278     1.27808  1.0039       1.37246  0.718324 0.33855   0.834028 0.37876   
1 1 1 57 39 11 o 1.80786  0.278454  4.29104      1.00681  4.89362      1.41045  3.665        1.43763  1.66792  0.422215  1.3197   0.452028  
1 1 1 57 39 12 o 0.79922  0.34073   0.885261     0.960164 1.68613      1.38648  0.147232     1.33097  0.931319 0.403491  0.726765 0.343495  
1 1 1 57 39 13 o 0.729327 0.322478  0.624412     0.927273 -0.413921    1.29637  1.71221      1.32689  0.651307 0.316159  0.908964 0.394278  
1 1 1 57 39 14 f 0.724422 0.322142  0.791606     0.94266  0.0700565    1.3482   1.48176      1.31854  0.662789 0.321947  0.811959 0.369405  
1 1 1 57 40 0  o 1.09837  0.536107  2.52133      1.37717  2.52133      1.37717  2.52133      1.37717  1.30127  0.42415   ?        ?         
1 1 1 57 40 1  o 0.927766 0.353061  1.23735      0.908005 2.43177      1.29431  0.0798395    1.27415  1.17674  0.426318  0.751885 0.349794  
1 1 1 57 40 2  o 1.80058  0.259333  3.94092      0.933898 3.14267      1.29025  4.81932      1.35348  1.35844  0.426817  1.79962  0.387145  
1 1 1 57 40 3  o 1.03103  0.363042  1.64756      0.93269  0.433104     1.25119  3.16643      1.39924  0.78506  0.357883  1.30624  0.445951  
1 1 1 57 40 4  o 1.06874  0.363361  1.80554      0.928955 1.84019      1.2928   1.76856      1.33574  1.01061  0.409671  0.992385 0.411267  
1 1 1 57 40 5  o 1.77747  0.273547  4.01508      0.972447 4.2878       1.32757  3.69933      1.42846  1.61615  0.409929  1.39289  0.450413  
1 1 1 57 40 6  o 2.07235  0.240777  5.22014      0.997947 4.59187      1.4401   5.80058      1.38418  1.6109   0.436252  1.97722  0.363642  
1 1 1 57 40 7  o 1.17154  0.374493  2.27999      0.989573 2.23054      1.4093   2.32809      1.38984  1.03609  0.425065  1.05878  0.42659   
1 1 1 57 40 8  o 0.869357 0.356163  1.21608      0.988058 0.241892     1.39464  2.19779      1.40002  0.742905 0.351354  1.01697  0.421227  
1 1 1 57 40 9  o 1.36142  0.366296  2.96193      1.01938  3.21688      1.47846  2.7309       1.40741  1.19743  0.452024  1.11744  0.436044  
1 1 1 57 40 10 o 1.19067  0.376595  2.38568      1.00267  3.30334      1.46049  1.56758      1.37899  1.23399  0.452287  0.915343 0.399518  
1 1 1 57 40 11 o 0.92881  0.365844  1.53488      0.996945 2.33495      1.43315  0.784732     1.38773  1.0102   0.422775  0.787362 0.365818  
1 1 1 57 40 12 o 0.703819 0.317905  0.599899     0.951797 2.00313      1.34727  -0.798233    1.34482  0.906978 0.395391  0.608943 0.300833  
1 1 1 57 41 0  o 0.883457 0.496202  1.86947      1.30882  1.86947      1.30882  1.86947      1.30882  1.01115  0.442527  ?        ?         
1 1 1 57 41 1  o 0.977604 0.356539  1.54456      0.906602 0.851023     1.29878  2.20364      1.2661   0.819576 0.370712  1.06564  0.414038  
1 1 1 57 41 2  o 0.889364 0.352096  1.23987      0.927797 0.928688     1.31209  1.55106      1.31212  0.829183 0.373961  0.926933 0.396842  
1 1 1 57 41 3  o 0.925961 0.399899  1.59181      1.35374  0            0        1.59181      1.35374  ?        ?         0.927115 0.400142  
1 1 1 57 41 4  o 0.832833 0.346759  1.03355      0.956503 0.0125066    1.37199  1.9991       1.3342   0.720272 0.343803  0.996409 0.411865  
1 1 1 57 41 5  o 1.30269  0.363679  2.72035      0.983302 4.10156      1.34535  1.13631      1.44075  1.49331  0.428167  0.846074 0.385251  
1 1 1 57 41 6  f 1.48912  0.330224  3.23227      0.9575   2.8348       1.32989  3.66007      1.37971  1.16673  0.431105  1.35009  0.442827  
1 1 1 57 41 7  o 1.23135  0.36789   2.47206      0.974882 2.57751      1.32548  2.3478       1.43887  1.11614  0.426039  1.04027  0.428597  
1 1 1 57 41 8  o 0.609081 0.291005  -0.357758    0.988925 -1.49776     1.3201   1.10018      1.49288  0.58769  0.291916  0.841816 0.3865    
1 1 1 57 41 9  o 1.23419  0.377796  2.63913      1.01978  3.61932      1.4341   1.63653      1.4504   1.27549  0.450065  0.893391 0.398368  
1 1 1 57 41 10 o 0.484382 0.241986  -1.52059     0.973564 -2.02139     1.36318  -0.999219    1.3909   0.543108 0.273753  0.604703 0.300267  
1 1 1 57 41 11 o 0.877332 0.362074  1.60316      1.02858  1.05402      1.51612  2.07145      1.40007  0.756803 0.361281  0.883965 0.39286   
1 1 1 57 42 0  o 0.47949  0.342436  -0.760227    1.33682  -0.760227    1.33682  -0.760227    1.33682  0.399808 0.286068  ?        ?         
1 1 1 57 42 1  o 0.854324 0.351198  1.14248      0.96397  1.3927       1.42207  0.929761     1.31119  0.883505 0.394195  0.818335 0.371192  
1 1 1 57 42 2  o 1.10677  0.370247  2.07168      0.964497 1.5553       1.39773  2.54107      1.33261  0.91036  0.399739  1.10432  0.425658  
1 1 1 57 42 3  o 0.697874 0.316087  0.334389     0.947355 -0.894       1.34165  1.55588      1.33788  0.637226 0.312077  0.916054 0.39661   
1 1 1 57 42 4  o 0.965927 0.362935  1.57432      0.950419 -1.39703     1.34254  4.55945      1.34565  0.600778 0.297709  1.63195  0.411979  
1 1 1 57 42 5  o 1.30589  0.362822  2.74019      0.980991 3.0747       1.42197  2.43639      1.35511  1.17948  0.443783  1.0638   0.424144  
1 1 1 57 42 6  o 0.446767 0.225314  -2.07788     0.93231  -3.14292     1.32531  -1.03449     1.31177  0.498172 0.253606  0.610411 0.300624  
1 1 1 57 42 7  o 1.88537  0.282256  4.86474      1.06432  3.92236      1.45328  5.95484      1.56304  1.2923   0.453356  1.73101  0.448097  
1 1 1 57 42 8  o 0.64119  0.302633  0.153725     1.0284   0.337674     1.45123  -0.0318259   1.45754  0.695641 0.336803  0.667791 0.326631  
1 1 1 57 43 0  o 0.7625   0.468708  1.52094      1.35196  1.52094      1.35196  1.52094      1.35196  0.832392 0.437877  ?        ?         
1 1 1 57 43 1  o 0.993315 0.3705    1.82933      0.986874 0.69352      1.40377  2.93926      1.38768  0.763893 0.358605  1.1178   0.433634  
1 1 1 57 43 2  o 0.632001 0.296503  0.0226283    0.954242 0.932477     1.35579  -0.870543    1.3433   0.784205 0.363285  0.616918 0.303823  
1 1 1 57 43 3  o 0.679034 0.310799  0.388374     0.957085 1.13863      1.3439   -0.383766    1.36336  0.798952 0.366773  0.648733 0.316982  
1 1 1 57 43 4  o 0.880652 0.35727   1.51572      0.984301 1.29497      1.42369  1.71786      1.36236  0.799012 0.37096   0.857395 0.384098  
1 1 1 57 43 5  o 0.67596  0.312179  0.468737     0.991264 0.945623     1.43472  0.0331711    1.37116  0.746244 0.354552  0.662046 0.32243   
1 1 1 58 0  0  o 0.867278 0.443619  1.12834      0.963158 1.12834      0.963158 1.12834      0.963158 0.886469 0.378929  ?        ?         
1 1 1 58 0  1  o 2.82686  0.134645  8.05789      0.757309 8.05789      0.757309 8.05789      0.757309 2.83279  0.0947581 ?        ?         
1 1 1 58 0  2  o 10.3717  0.117881  107.745      2.44454  107.745      2.44454  107.745      2.44454  10.3758  0.0833089 ?        ?         
1 1 1 58 0  3  o 2.89004  0.130914  8.41629      0.753157 8.41629      0.753157 8.41629      0.753157 2.89559  0.0921724 ?        ?         
1 1 1 58 0  4  o 3.2199   0.124851  10.4291      0.801269 10.4291      0.801269 10.4291      0.801269 3.22467  0.0879994 ?        ?         
1 1 1 58 0  5  o 3.38263  0.115801  11.4967      0.78134  11.4967      0.78134  11.4967      0.78134  3.38667  0.0816758 ?        ?         
1 1 1 58 0  6  o 4.60859  0.104744  21.2946      0.96432  21.2946      0.96432  21.2946      0.96432  4.61161  0.0739734 ?        ?         
1 1 1 58 0  7  o 6.10785  0.105027  37.38        1.28212  37.38        1.28212  37.38        1.28212  6.11089  0.0742034 ?        ?         
1 1 1 58 0  8  o 2.72675  0.143636  7.51248      0.778353 7.51248      0.778353 7.51248      0.778353 2.7339   0.100971  ?        ?         
1 1 1 58 0  9  o 3.21422  0.133807  10.4044      0.856781 10.4044      0.856781 10.4044      0.856781 3.21994  0.0942582 ?        ?         
1 1 1 58 0  10 o 0.671651 0.364975  0.655464     0.681436 0.655464     0.681436 0.655464     0.681436 0.663445 0.317877  ?        ?         
1 1 1 58 0  11 o 11.5715  0.139943  134.276      3.23764  134.276      3.23764  134.276      3.23764  11.5796  0.098869  ?        ?         
1 1 1 58 0  12 o 5.53701  0.111571  30.7461      1.23441  30.7461      1.23441  30.7461      1.23441  5.54098  0.0788    ?        ?         
1 1 1 58 0  13 o 5.43552  0.129102  29.6645      1.40168  29.6645      1.40168  29.6645      1.40168  5.44105  0.0911374 ?        ?         
1 1 1 58 0  14 o 2.66536  0.172852  7.22466      0.912537 7.22466      0.912537 7.22466      0.912537 2.67678  0.121093  ?        ?         
1 1 1 58 0  15 o 2.23063  0.189331  5.11013      0.830655 5.11013      0.830655 5.11013      0.830655 2.24592  0.131801  ?        ?         
1 1 1 58 0  16 o 0.667641 0.3862    0.594687     0.821328 0.594687     0.821328 0.594687     0.821328 0.633592 0.339054  ?        ?         
1 1 1 58 0  17 o 4.7001   0.142335  22.2315      1.3352   22.2315      1.3352   22.2315      1.3352   4.70755  0.100381  ?        ?         
1 1 1 58 0  18 o 0.584103 0.364719  0.271869     0.846369 0.271869     0.846369 0.271869     0.846369 0.517045 0.314885  ?        ?         
1 1 1 58 0  19 o 2.72413  0.173301  7.55462      0.935426 7.55462      0.935426 7.55462      0.935426 2.73647  0.121401  ?        ?         
1 1 1 58 0  20 f 3.26091  0.156013  10.7697      1.01218  10.7697      1.01218  10.7697      1.01218  3.27143  0.109669  ?        ?         
1 1 1 58 0  21 o 1.1787   0.43141   1.91007      0.935186 1.91007      0.935186 1.91007      0.935186 1.28057  0.297199  ?        ?         
1 1 1 58 0  22 o 0.655972 0.404973  0.429925     1.01784  0.429925     1.01784  0.429925     1.01784  0.592772 0.353052  ?        ?         
1 1 1 58 0  23 o 0.608189 0.389014  0.202236     1.02498  0.202236     1.02498  0.202236     1.02498  0.530093 0.333532  ?        ?         
1 1 1 58 0  24 o 2.80826  0.212368  8.14162      1.17709  8.14162      1.17709  8.14162      1.17709  2.83123  0.147912  ?        ?         
1 1 1 58 0  25 o 0.845883 0.463005  1.12639      1.10307  1.12639      1.10307  1.12639      1.10307  0.852008 0.404851  ?        ?         
1 1 1 58 0  26 o 0.668834 0.416785  0.450104     1.0983   0.450104     1.0983   0.450104     1.0983   0.605284 0.363915  ?        ?         
1 1 1 58 0  27 o 0.989293 0.478738  1.58334      1.09559  1.58334      1.09559  1.58334      1.09559  1.06231  0.394083  ?        ?         
1 1 1 58 0  28 o 0.533194 0.362202  -0.326511    1.11565  -0.326511    1.11565  -0.326511    1.11565  0.439013 0.300332  ?        ?         
1 1 1 58 0  29 o 3.09748  0.208719  9.98312      1.27953  9.98312      1.27953  9.98312      1.27953  3.12892  0.145294  ?        ?         
1 1 1 58 0  30 o 0.452495 0.320117  -0.921875    1.09372  -0.921875    1.09372  -0.921875    1.09372  0.356775 0.256054  ?        ?         
1 1 1 58 0  31 o 0.603672 0.393323  0.245565     1.11411  0.245565     1.11411  0.245565     1.11411  0.535834 0.341926  ?        ?         
1 1 1 58 0  32 o 0.788723 0.45758   1.12821      1.15848  1.12821      1.15848  1.12821      1.15848  0.804178 0.409615  ?        ?         
1 1 1 58 0  33 o 0.335001 0.249479  -3.36345     1.244    -3.36345     1.244    -3.36345     1.244    ?        ?         ?        ?         
1 1 1 58 0  34 o 0.574564 0.391012  0.0387915    1.30825  0.0387915    1.30825  0.0387915    1.30825  0.505707 0.338974  ?        ?         
1 1 1 58 0  35 o 0.526015 0.368579  -0.282804    1.37596  -0.282804    1.37596  -0.282804    1.37596  0.456131 0.317167  ?        ?         
1 1 1 58 0  36 o 0.569227 0.395258  0.22675      1.46613  0.22675      1.46613  0.22675      1.46613  0.521887 0.352562  ?        ?         
1 1 1 58 1  0  o 6.45654  0.0961365 41.7499      1.2408   41.7499      1.2408   41.7499      1.2408   6.45897  0.0679361 ?        ?         
1 1 1 58 1  1  o 7.84938  0.0720168 61.6716      1.13057  61.1355      1.60754  62.1963      1.59034  7.81129  0.102898  7.87905  0.100922  
1 1 1 58 1  2  o 10.7637  0.0873491 116.021      1.88039  115.844      2.71934  116.184      2.60303  10.7471  0.126516  10.7642  0.120911  
1 1 1 58 1  3  o 7.18857  0.0703686 51.7238      1.0117   51.9377      1.4595   51.526       1.40365  7.1998   0.101357  7.17168  0.0978606 
1 1 1 58 1  4  o 6.40431  0.07016   41.0541      0.898652 41.1083      1.25744  40.9975      1.28477  6.40563  0.0981515 6.39671  0.100424  
1 1 1 58 1  5  o 1.44564  0.170672  2.10193      0.49346  1.80038      0.683648 2.42993      0.712993 1.30881  0.270384  1.55075  0.229886  
1 1 1 58 1  6  o 5.46671  0.0715433 29.9158      0.782213 28.8604      1.07012  31.1267      1.14622  5.36682  0.0996982 5.5732   0.102833  
1 1 1 58 1  7  o 1.33627  0.186182  1.79845      0.49758  2.80504      0.729371 0.922152     0.680535 1.66663  0.218817  0.962875 0.310839  
1 1 1 58 1  8  o 3.13099  0.0927515 9.82114      0.580808 9.62985      0.802146 10.032       0.842081 3.09769  0.129475  3.16138  0.133183  
1 1 1 58 1  9  o 3.18587  0.0946914 10.1703      0.603349 9.285        0.835194 11.1366      0.872561 3.04069  0.137336  3.33073  0.130986  
1 1 1 58 1  10 o 7.45975  0.0789804 55.7311      1.17835  56.6778      1.678    54.8101      1.65511  7.51725  0.11161   7.39229  0.111949  
1 1 1 58 1  11 o 9.32233  0.0934734 87.1024      1.74278  86.3849      2.48077  87.8016      2.44886  9.273    0.133763  9.34962  0.13096   
1 1 1 58 1  12 o 4.48707  0.0869635 20.1763      0.780423 19.0889      1.0589   21.4692      1.15467  4.3602   0.121428  4.62353  0.124869  
1 1 1 58 1  13 o 5.53106  0.083273  30.6551      0.921176 30.7137      1.28076  30.5923      1.32589  5.53115  0.115777  5.51938  0.120112  
1 1 1 58 1  14 o 0.814398 0.278817  0.627232     0.546961 1.1455       0.755785 0.0572889    0.792566 1.05187  0.325904  0.733624 0.31105   
1 1 1 58 1  15 o 4.84182  0.0910586 23.5092      0.881778 23.8501      1.17682  23.0727      1.3315   4.87148  0.120787  4.78756  0.139058  
1 1 1 58 1  16 o 2.21162  0.141333  4.92646      0.625149 4.84513      0.903924 5.00102      0.865516 2.18428  0.206916  2.22107  0.194842  
1 1 1 58 1  17 o 2.12069  0.148447  4.53364      0.629618 3.7085       0.884771 5.38018      0.896168 1.90688  0.231995  2.30347  0.194525  
1 1 1 58 1  18 o 0.843057 0.29581   0.660404     0.618746 1.06831      0.868564 0.240104     0.881661 1.03732  0.351352  0.809009 0.33463   
1 1 1 58 1  19 o 4.11306  0.0929985 16.9807      0.765016 17.1404      1.07578  16.8173      1.08811  4.12482  0.130404  4.08512  0.13318   
1 1 1 58 1  20 o 3.41566  0.10545   11.732       0.720359 10.9456      0.997602 12.5888      1.04128  3.28949  0.151634  3.52885  0.147539  
1 1 1 58 1  21 o 0.973969 0.308813  0.994131     0.673908 0.552209     0.953033 1.43608      0.953067 0.900406 0.356731  1.15599  0.367319  
1 1 1 58 1  22 o 1.78088  0.201491  3.24792      0.717665 2.44779      0.986768 4.1464       1.04565  1.48796  0.339031  1.996    0.261937  
1 1 1 58 1  23 o 1.2903   0.292899  1.82006      0.738742 2.85826      1.06047  0.841266     1.02968  1.60475  0.340713  0.987746 0.375948  
1 1 1 58 1  24 o 1.69528  0.243764  3.00032      0.826494 0.0737938    1.14793  6.15021      1.19093  0.849669 0.367616  2.42671  0.24538   
1 1 1 58 1  25 o 1.82759  0.218899  3.46246      0.800117 2.30669      1.14214  4.57626      1.12122  1.4132   0.391104  2.08223  0.269235  
1 1 1 58 1  26 f 0.724115 0.307664  0.128067     0.778157 0.773751     1.076    -0.579916    1.12671  0.965985 0.380204  0.732332 0.336039  
1 1 1 58 1  27 o 2.12435  0.192552  4.68063      0.818095 3.77515      1.14035  5.64084      1.17431  1.85775  0.306918  2.3016   0.255108  
1 1 1 58 1  28 o 1.77214  0.236461  3.34991      0.838084 4.12569      1.14156  2.44292      1.23433  1.93345  0.295214  1.40085  0.412888  
1 1 1 58 1  29 o 1.06642  0.33568   1.33168      0.797584 1.15262      1.13374  1.50713      1.12226  1.034    0.394214  1.12498  0.398017  
1 1 1 58 1  30 o 0.925779 0.335936  0.951962     0.803963 1.32429      1.16823  0.616976     1.1081   1.05778  0.401073  0.891149 0.372273  
1 1 1 58 1  31 o 1.2206   0.328754  1.8559       0.820595 1.92254      1.16275  1.78976      1.15825  1.18998  0.406523  1.15342  0.404721  
1 1 1 58 1  32 o 0.626406 0.286517  -0.215986    0.811838 -0.412235    1.12598  -0.00350967  1.17161  0.695715 0.325618  0.762213 0.347158  
1 1 1 58 1  33 o 1.29306  0.340843  2.27925      0.894027 1.49147      1.24424  3.12006      1.28545  1.0038   0.403963  1.40805  0.422802  
1 1 1 58 1  34 o 0.794053 0.3392    0.748405     0.954896 1.10481      1.35005  0.391607     1.3508   0.880719 0.389303  0.783902 0.362943  
1 1 1 58 1  35 o 0.984839 0.373887  1.70781      1.01628  2.16539      1.46032  1.27805      1.41523  0.99939  0.422897  0.866368 0.389684  
1 1 1 58 1  36 o 0.573804 0.280759  -0.575639    1.07939  -0.720585    1.45468  -0.398066    1.61009  0.618312 0.307032  0.654015 0.324522  
1 1 1 58 2  0  o 5.24367  0.0963103 27.5486      1.00927  27.5486      1.00927  27.5486      1.00927  5.24618  0.0680431 ?        ?         
1 1 1 58 2  1  o 6.73984  0.0705437 45.4696      0.950906 45.4543      1.33305  45.4854      1.35683  6.73555  0.0989565 6.73763  0.10069   
1 1 1 58 2  2  o 5.35212  0.0742218 28.6763      0.794487 27.6447      1.13062  29.6826      1.11666  5.25184  0.10764   5.44254  0.102586  
1 1 1 58 2  3  o 5.62981  0.0699765 31.7257      0.787909 32.1871      1.12673  31.2841      1.10222  5.66781  0.0993971 5.58783  0.0986268 
1 1 1 58 2  4  o 4.19161  0.0750342 17.5895      0.629028 16.8122      0.863339 18.469       0.918367 4.09571  0.105396  4.29263  0.10697   
1 1 1 58 2  5  o 7.78713  0.0738898 60.7074      1.15078  63.8165      1.70645  58.114       1.55849  7.97922  0.106931  7.61512  0.102329  
1 1 1 58 2  6  o 4.4669   0.0746477 19.9765      0.666887 19.6741      0.922738 20.3071      0.964917 4.43056  0.104133  4.50096  0.10719   
1 1 1 58 2  7  o 4.21667  0.0783121 17.8039      0.660432 17.3293      0.884965 18.4004      0.99219  4.15779  0.106422  4.2834   0.115818  
1 1 1 58 2  8  o 5.93205  0.0747858 35.2339      0.887266 34.7884      1.21333  35.7459      1.3008   5.89111  0.10298   5.97079  0.10893   
1 1 1 58 2  9  o 5.93852  0.0738503 35.3121      0.877123 35.2973      1.1942   35.3294      1.2925   5.93396  0.100624  5.93543  0.10888   
1 1 1 58 2  10 o 1.47613  0.184506  2.19802      0.544713 1.77934      0.764469 2.62982      0.776348 1.294    0.300829  1.60975  0.241139  
1 1 1 58 2  11 o 3.35878  0.093102  11.3084      0.625418 11.1571      0.841017 11.4957      0.935451 3.33296  0.126167  3.38168  0.138312  
1 1 1 58 2  12 o 5.36152  0.0851347 28.8065      0.912903 28.1631      1.27369  29.4862      1.30912  5.29585  0.120254  5.41871  0.120796  
1 1 1 58 2  13 o 4.34134  0.0857656 18.8898      0.744675 18.3855      1.10886  19.3042      1.00504  4.27677  0.129637  4.38479  0.114605  
1 1 1 58 2  14 o 0.874521 0.277878  0.774195     0.545438 1.26889      0.762313 0.255284     0.780748 1.09779  0.324767  0.776363 0.317088  
1 1 1 58 2  15 o 1.76512  0.169328  3.14786      0.597767 3.04119      0.834426 3.26032      0.856756 1.72572  0.241762  1.78712  0.239703  
1 1 1 58 2  16 o 0.677481 0.277492  0.179023     0.59964  0.266359     0.879111 0.103035     0.820009 0.815897 0.33539   0.754167 0.317903  
1 1 1 58 2  17 f 2.83417  0.117203  8.07521      0.664348 8.24566      0.95053  7.91242      0.928903 2.85624  0.166395  2.798    0.165994  
1 1 1 58 2  18 o 4.06688  0.095683  16.6004      0.778262 16.5735      1.12453  16.6252      1.07819  4.05524  0.138651  4.06289  0.132688  
1 1 1 58 2  19 o 0.870713 0.294794  0.745711     0.611439 0.0668553    0.860006 1.43961      0.869483 0.757397 0.322671  1.15685  0.3478    
1 1 1 58 2  20 o 2.42968  0.139276  5.96227      0.67679  6.28759      0.943412 5.61733      0.971455 2.48452  0.189858  2.34428  0.207197  
1 1 1 58 2  21 o 1.34108  0.269592  1.9331       0.697655 0.639202     0.988683 3.21632      0.984595 0.930667 0.364995  1.75399  0.280673  
1 1 1 58 2  22 o 3.42853  0.114962  11.85        0.788301 11.0998      1.10025  12.6413      1.12999  3.30348  0.166529  3.52765  0.160163  
1 1 1 58 2  23 o 3.73736  0.118221  14.0997      0.883665 14.2739      1.30027  13.9502      1.20459  3.74007  0.17383   3.70202  0.162693  
1 1 1 58 2  24 o 1.19403  0.325546  1.59143      0.798611 2.10818      1.15279  1.11458      1.10739  1.35394  0.399004  1.06673  0.393545  
1 1 1 58 2  25 o 1.27128  0.305425  1.79725      0.768023 1.07486      1.06978  2.56561      1.10329  1.04744  0.38673   1.49581  0.370294  
1 1 1 58 2  26 o 0.736645 0.3111    0.166874     0.787714 -0.118905    1.10159  0.4659       1.12683  0.793197 0.351003  0.909895 0.377451  
1 1 1 58 2  27 o 1.66693  0.241076  2.95186      0.803714 4.65462      1.07652  0.807547     1.20807  2.08424  0.258252  0.986721 0.39765   
1 1 1 58 2  28 o 0.789143 0.319537  0.437021     0.785273 1.92674      1.09606  -1.13414     1.12562  1.255    0.393204  0.65049  0.310712  
1 1 1 58 2  29 o 1.36038  0.300878  2.14599      0.79681  2.16424      1.15768  2.12956      1.09838  1.30509  0.403149  1.30201  0.390801  
1 1 1 58 2  30 o 1.74631  0.235495  3.33477      0.822493 3.09063      1.14086  3.59901      1.18687  1.56174  0.370383  1.69964  0.360142  
1 1 1 58 2  31 f 1.25036  0.322165  1.93885      0.810444 1.23089      1.12926  2.69079      1.16381  1.00643  0.391025  1.40972  0.396336  
1 1 1 58 2  32 o 1.05151  0.347961  1.48755      0.851881 1.95292      1.22176  1.04722      1.18842  1.13932  0.414055  0.934038 0.387557  
1 1 1 58 2  33 o 1.10481  0.363087  1.76572      0.927554 4.08082      1.35611  -0.269498    1.27149  1.64226  0.412973  0.725786 0.34082   
1 1 1 58 2  34 o 0.578936 0.27864   -0.615369    0.949414 -2.57914     1.30437  1.59726      1.38456  0.531548 0.267897  0.940523 0.405285  
1 1 1 58 2  35 o 1.51809  0.351667  3.49042      1.04763  3.41192      1.47736  3.56982      1.48582  1.2465   0.455086  1.27898  0.45742   
1 1 1 58 3  0  o 2.12089  0.168159  4.59501      0.70298  4.59501      0.70298  4.59501      0.70298  2.1325   0.117361  ?        ?         
1 1 1 58 3  1  o 0.901331 0.259415  0.842301     0.492932 1.28024      0.708722 0.431932     0.686053 1.10475  0.308864  0.794089 0.305551  
1 1 1 58 3  2  o 3.90496  0.07869   15.268       0.614563 15.5142      0.873352 15.0266      0.864955 3.93387  0.111004  3.87151  0.111708  
1 1 1 58 3  3  o 1.02316  0.242437  1.10172      0.489137 2.26936      0.679957 -0.150549    0.704166 1.49854  0.226873  0.649508 0.284472  
1 1 1 58 3  4  o 3.55568  0.0801763 12.6599      0.570163 12.2093      0.813269 13.0954      0.799571 3.48926  0.116539  3.61417  0.110616  
1 1 1 58 3  5  o 0.877916 0.25947   0.793473     0.486817 0.470788     0.677935 1.13701      0.699497 0.803447 0.305269  1.04811  0.311319  
1 1 1 58 3  6  o 4.40031  0.0745125 19.3864      0.655755 19.7836      0.914795 18.9666      0.940495 4.44271  0.102955  4.34949  0.108116  
1 1 1 58 3  7  o 0.920214 0.264403  0.880608     0.512496 0.616699     0.780609 1.08054      0.679435 0.88283  0.329469  1.02289  0.307433  
1 1 1 58 3  8  o 1.76235  0.163788  3.126        0.577302 2.43911      0.826406 3.78069      0.806804 1.52403  0.281725  1.93427  0.208555  
1 1 1 58 3  9  o 6.27818  0.0806473 39.4815      1.01264  39.1735      1.42036  39.7999      1.44411  6.24855  0.113655  6.29813  0.114646  
1 1 1 58 3  10 o 0.714338 0.27783   0.332334     0.570397 1.68668      0.917788 -0.519998    0.728084 1.25862  0.351348  0.588262 0.270015  
1 1 1 58 3  11 o 3.71745  0.0949289 13.8553      0.705786 13.9671      1.01805  13.7519      0.979342 3.72732  0.136565  3.69908  0.132376  
1 1 1 58 3  12 o 4.24144  0.0870707 18.0312      0.738611 18.0609      1.03258  18.0001      1.05695  4.24029  0.121758  4.23266  0.124857  
1 1 1 58 3  13 o 2.97045  0.102347  8.85324      0.608031 8.90684      0.872568 8.80265      0.847742 2.97403  0.146698  2.95705  0.143343  
1 1 1 58 3  14 o 3.82154  0.0964866 14.6517      0.737454 13.2209      1.004    16.328       1.08675  3.62383  0.138527  4.0279   0.134903  
1 1 1 58 3  15 f 4.47952  0.09313   20.1286      0.834355 21.0059      1.19406  19.2915      1.16634  4.56912  0.130666  4.37817  0.1332    
1 1 1 58 3  16 o 4.17389  0.0935961 17.4782      0.78132  16.4587      1.08172  18.5902      1.12975  4.04341  0.133764  4.29776  0.131435  
1 1 1 58 3  17 o 4.59838  0.0928546 21.2177      0.853962 20.5747      1.19439  21.8902      1.22144  4.52019  0.132117  4.66273  0.130979  
1 1 1 58 3  18 o 4.72501  0.0907726 22.4061      0.857803 22.2758      1.2426   22.5247      1.18563  4.70173  0.132143  4.72974  0.125338  
1 1 1 58 3  19 o 2.34564  0.138937  5.55542      0.65179  5.82524      0.915179 5.27768      0.928506 2.39171  0.191323  2.27369  0.204185  
1 1 1 58 3  20 o 2.2919   0.146318  5.31439      0.670693 5.18629      0.933725 5.45094      0.964007 2.25088  0.207413  2.30721  0.208912  
1 1 1 58 3  21 o 1.34481  0.26299   1.93947      0.682115 1.81526      0.97571  2.05822      0.953969 1.27867  0.363998  1.36114  0.348837  
1 1 1 58 3  22 o 2.15428  0.168415  4.72462      0.725625 4.01218      1.00864  5.4889       1.04469  1.96189  0.257057  2.30518  0.226596  
1 1 1 58 3  23 o 2.91396  0.145558  8.62047      0.848298 7.91583      1.21317  9.29459      1.18662  2.76623  0.219283  3.00703  0.197307  
1 1 1 58 3  24 o 1.00401  0.331797  1.07038      0.774572 1.35502      1.12311  0.812184     1.06966  1.13186  0.398399  0.98147  0.380724  
1 1 1 58 3  25 o 2.66538  0.153743  7.24631      0.819569 7.44116      1.15921  7.05157      1.15888  2.6754   0.216642  2.6016   0.222725  
1 1 1 58 3  26 o 0.769423 0.316493  0.315793     0.783346 1.12802      1.06978  -0.623178    1.15022  1.04998  0.386872  0.731942 0.337365  
1 1 1 58 3  27 o 1.33711  0.309296  2.04778      0.811318 2.33418      1.07223  1.66419      1.24092  1.39272  0.376102  1.18742  0.418689  
1 1 1 58 3  28 o 1.01062  0.334938  1.16292      0.789307 1.79643      1.08983  0.464033     1.14469  1.2131   0.393533  0.889117 0.375235  
1 1 1 58 3  29 o 0.850144 0.330032  0.685297     0.804097 1.13536      1.12714  0.21886      1.14746  1.01631  0.391524  0.832001 0.363779  
1 1 1 58 3  30 o 0.676201 0.299325  0.00675671   0.801947 -0.42723     1.09235  0.51412      1.18109  0.702136 0.325581  0.871384 0.374894  
1 1 1 58 3  31 o 0.785069 0.320228  0.53254      0.795254 1.24767      1.12055  -0.193185    1.12882  1.0026   0.389519  0.736252 0.337216  
1 1 1 58 3  32 o 1.79886  0.254744  3.77824      0.916501 3.24268      1.29859  4.30976      1.29368  1.45537  0.421763  1.76425  0.377595  
1 1 1 58 3  33 f 0.865375 0.347156  0.949095     0.914796 1.05228      1.29976  0.847806     1.28776  0.908315 0.392057  0.874168 0.38377   
1 1 1 58 3  34 o 0.669157 0.308291  0.120792     0.959146 0.574681     1.34349  -0.351027    1.36977  0.781192 0.361792  0.688273 0.332101  
1 1 1 58 3  35 o 0.610979 0.293495  -0.386917    1.0408   0.873126     1.38932  -1.99855     1.57124  0.796745 0.368579  0.599581 0.300776  
1 1 1 58 4  0  o 7.2546   0.102401  52.7188      1.48509  52.7188      1.48509  52.7188      1.48509  7.2577   0.0723612 ?        ?         
1 1 1 58 4  1  o 2.63962  0.0988767 6.98201      0.521994 7.88061      0.746056 6.12023      0.730609 2.80204  0.133127  2.46825  0.148002  
1 1 1 58 4  2  o 2.73003  0.0988713 7.46857      0.539843 7.56625      0.753441 7.36552      0.773877 2.74523  0.137227  2.70812  0.142881  
1 1 1 58 4  3  o 5.942    0.0685115 35.3432      0.814192 35.2418      1.15486  35.4435      1.14805  5.93045  0.0973673 5.9475   0.0965152 
1 1 1 58 4  4  o 1.81484  0.138358  3.30756      0.502194 3.28268      0.706735 3.33293      0.713736 1.80423  0.195855  1.81796  0.196302  
1 1 1 58 4  5  f 3.47846  0.0821829 12.1183      0.57174  12.1482      0.803862 12.0876      0.813347 3.48018  0.115491  3.47133  0.117152  
1 1 1 58 4  6  o 1.94087  0.137084  3.78363      0.532126 3.05155      0.793481 4.38197      0.717346 1.73625  0.228504  2.08608  0.171936  
1 1 1 58 4  7  o 3.37039  0.0922304 11.3833      0.621706 11.7314      0.917462 11.0878      0.845402 3.41756  0.134228  3.32324  0.127195  
1 1 1 58 4  8  o 1.73183  0.157715  3.01866      0.546272 3.90733      0.834329 2.35183      0.722725 1.96528  0.212267  1.52251  0.237346  
1 1 1 58 4  9  o 3.90946  0.0874249 15.3162      0.683569 14.7487      1.02147  15.7764      0.919914 3.83109  0.133313  3.96466  0.116014  
1 1 1 58 4  10 o 2.03077  0.141971  4.14796      0.576622 4.43261      0.924708 3.96686      0.73759  2.09082  0.221135  1.98192  0.18608   
1 1 1 58 4  11 o 2.59643  0.115765  6.76871      0.60115  5.7772       0.941549 7.45103      0.781071 2.38967  0.197004  2.72124  0.143514  
1 1 1 58 4  12 o 2.4869   0.121954  6.21389      0.606574 5.8648       0.936172 6.46648      0.796343 2.40717  0.194455  2.5329   0.1572    
1 1 1 58 4  13 o 1.65133  0.178623  2.75662      0.589929 2.92206      0.881864 2.62261      0.793662 1.68967  0.260958  1.60258  0.24762   
1 1 1 58 4  14 o 2.97054  0.111967  8.86397      0.665202 8.58632      0.889933 9.2155       1.00137  2.91797  0.152492  3.02069  0.165752  
1 1 1 58 4  15 o 2.11754  0.142092  4.51662      0.601769 4.56468      0.8268   4.46248      0.877524 2.1219   0.194826  2.0958   0.209353  
1 1 1 58 4  16 f 2.95744  0.109239  8.78762      0.646136 7.68771      0.879954 10.0745      0.951818 2.75887  0.159477  3.15994  0.150607  
1 1 1 58 4  17 o 3.54596  0.101946  12.6266      0.72299  11.1849      0.996041 14.232       1.05111  3.3292   0.149592  3.75756  0.139865  
1 1 1 58 4  18 o 2.98527  0.117696  8.97297      0.702708 8.34008      1.0031   9.58287      0.984716 2.86645  0.174972  3.07633  0.160047  
1 1 1 58 4  19 o 1.14604  0.274408  1.41653      0.621575 0.817523     0.866253 2.05227      0.89241  0.952075 0.348389  1.36872  0.32948   
1 1 1 58 4  20 o 2.17091  0.161599  4.78346      0.701634 3.74743      0.979684 5.87446      1.00533  1.8998   0.257839  2.39352  0.210012  
1 1 1 58 4  21 f 0.883045 0.307498  0.759361     0.667543 0.77539      0.949921 0.743722     0.938282 0.954283 0.361712  0.942707 0.358854  
1 1 1 58 4  22 o 1.83997  0.200949  3.4765       0.739481 3.69287      1.08448  3.28848      1.01095  1.86993  0.289979  1.76578  0.286262  
1 1 1 58 4  23 o 0.887949 0.326166  0.728384     0.759892 1.48988      1.07995  -0.0183542   1.06943  1.16752  0.39178   0.806647 0.351955  
1 1 1 58 4  24 o 1.05664  0.33438   1.21772      0.790395 0.98997      1.14318  1.4263       1.09401  1.0397   0.396009  1.14841  0.394252  
1 1 1 58 4  25 o 1.71144  0.233781  3.06957      0.800206 3.74058      1.15104  2.44192      1.11324  1.82946  0.32632   1.44687  0.37986   
1 1 1 58 4  26 o 0.917706 0.333975  0.841008     0.79511  0.890949     1.08436  0.782929     1.16936  0.985569 0.38312   0.977888 0.392412  
1 1 1 58 4  27 o 4.28996  0.119089  18.7176      1.02178  20.4301      1.39531  16.7373      1.50043  4.45501  0.1566    4.00789  0.187184  
1 1 1 58 4  28 o 1.84191  0.214001  3.59821      0.788341 4.13499      1.08756  3.00388      1.14437  1.93444  0.281106  1.57122  0.36988   
1 1 1 58 4  29 o 1.72854  0.231378  3.24034      0.799891 3.74306      1.09019  2.65411      1.17726  1.80882  0.301354  1.42999  0.397515  
1 1 1 58 4  30 o 1.62288  0.262185  2.97172      0.850992 3.25203      1.16582  2.65201      1.24505  1.5871   0.373145  1.3849   0.416156  
1 1 1 58 4  31 o 1.14565  0.334937  1.70296      0.815455 2.4638       1.16611  0.974847     1.14076  1.31018  0.404594  0.929107 0.382012  
1 1 1 58 4  32 o 1.57649  0.304881  3.15345      0.926973 3.64744      1.28075  2.60997      1.34336  1.56492  0.405863  1.25303  0.436226  
1 1 1 58 4  33 o 0.563238 0.271279  -0.728089    0.90391  1.26166      1.29595  -2.61315     1.2614   0.919754 0.394099  0.527574 0.265472  
1 1 1 58 4  34 o 0.699811 0.319032  0.3288       0.994472 -0.450422    1.34153  1.27935      1.48169  0.667323 0.32322   0.861506 0.391852  
1 1 1 58 4  35 o 0.831491 0.361815  1.3326       1.12404  1.72194      1.42704  0.696218     1.82446  0.860013 0.388816  0.754942 0.368432  
1 1 1 58 5  0  o 2.38599  0.156793  5.78173      0.7408   5.78173      0.7408   5.78173      0.7408   2.3954   0.109866  ?        ?         
1 1 1 58 5  1  o 5.01128  0.0719976 25.1422      0.721601 25.8144      1.02981  24.4938      1.01143  5.07495  0.10146   4.94333  0.102302  
1 1 1 58 5  2  o 1.77733  0.142919  3.17353      0.508028 2.67864      0.70012  3.72389      0.738322 1.62817  0.215002  1.92174  0.192097  
1 1 1 58 5  3  o 0.493682 0.224627  -0.302319    0.487832 -0.895014    0.671297 0.360942     0.710137 0.500689 0.239347  0.781339 0.308447  
1 1 1 58 5  4  o 1.14193  0.218688  1.36137      0.481639 0.912926     0.677518 1.81953      0.684823 0.957568 0.310252  1.3144   0.269781  
1 1 1 58 5  5  o 4.47817  0.0796234 20.0849      0.713134 19.6687      1.01671  20.488       1.00053  4.42786  0.114808  4.51964  0.110687  
1 1 1 58 5  6  o 4.30585  0.0814513 18.5715      0.701435 18.6796      1.04204  18.4819      0.948499 4.31407  0.120773  4.29246  0.110484  
1 1 1 58 5  7  o 2.68667  0.101333  7.23789      0.544496 8.01213      0.79709  6.56051      0.745557 2.82316  0.14117   2.55418  0.145948  
1 1 1 58 5  8  o 2.43002  0.108978  5.9245       0.529638 6.17218      0.753096 5.68212      0.745013 2.4765   0.152048  2.37567  0.1568    
1 1 1 58 5  9  o 4.37326  0.0813838 19.162       0.711824 19.1718      1.01966  19.1526      0.994165 4.37004  0.116665  4.36827  0.113794  
1 1 1 58 5  10 o 2.29896  0.119874  5.3081       0.551169 4.05884      0.803628 6.41767      0.757368 2.00258  0.200648  2.52479  0.149986  
1 1 1 58 5  11 o 6.3192   0.0783698 40.0098      0.990469 40.521       1.40568  39.5058      1.39585  6.35322  0.110627  6.27299  0.111258  
1 1 1 58 5  12 o 5.57267  0.0802524 31.122       0.89444  31.7567      1.33232  30.6012      1.20683  5.62188  0.118494  5.52061  0.109302  
1 1 1 58 5  13 o 2.33807  0.13702   5.50364      0.640725 5.92004      0.993444 5.20707      0.838402 2.41463  0.205713  2.26788  0.184843  
1 1 1 58 5  14 o 1.67029  0.189345  2.82563      0.632523 2.80568      0.938633 2.84223      0.856098 1.62502  0.300085  1.66614  0.25691   
1 1 1 58 5  15 o 2.09325  0.152951  4.42089      0.64033  4.19001      0.93721  4.62303      0.87692  2.02626  0.231266  2.1329   0.20557   
1 1 1 58 5  16 o 3.92856  0.0935219 15.4876      0.734814 15.3         1.02603  15.6852      1.05286  3.89794  0.131612  3.94633  0.133397  
1 1 1 58 5  17 f 1.99428  0.157401  4.0217       0.627806 3.79088      0.88058  4.2603       0.895307 1.92435  0.228799  2.04196  0.219228  
1 1 1 58 5  18 o 3.62526  0.10388   13.2141      0.753188 13.7785      1.04748  12.6098      1.08379  3.6933   0.141807  3.53015  0.153505  
1 1 1 58 5  19 o 2.33853  0.14364   5.53087      0.671813 5.60442      0.951618 5.45778      0.948564 2.34079  0.203269  2.30942  0.205368  
1 1 1 58 5  20 o 1.72231  0.195497  3.0331       0.673413 3.48299      0.957681 2.5931       0.947106 1.82972  0.261702  1.54006  0.318313  
1 1 1 58 5  21 o 0.693944 0.291913  0.120966     0.689048 -0.131373    1.00571  0.344213     0.945959 0.76877  0.338314  0.844052 0.347595  
1 1 1 58 5  22 o 2.68715  0.154555  7.343        0.830624 7.70859      1.23993  7.04537      1.11876  2.72703  0.22734   2.61228  0.214134  
1 1 1 58 5  23 o 1.76348  0.215109  3.21875      0.758679 3.85541      1.05759  2.54375      1.08897  1.90881  0.277027  1.49309  0.36682   
1 1 1 58 5  24 o 3.22006  0.136094  10.5258      0.876459 10.9212      1.22195  10.1068      1.25783  3.25828  0.187514  3.1279   0.201067  
1 1 1 58 5  25 o 0.881137 0.328652  0.715643     0.776522 1.57316      1.13259  -0.0450068   1.06671  1.18179  0.401216  0.793539 0.348822  
1 1 1 58 5  26 o 1.1669   0.331118  1.57562      0.808654 1.21317      1.10579  1.99227      1.1856   1.06414  0.393126  1.28229  0.409913  
1 1 1 58 5  27 o 2.32353  0.185794  5.6297       0.863396 4.75989      1.20781  6.53865      1.23469  2.07564  0.290949  2.46307  0.250639  
1 1 1 58 5  28 o 1.71433  0.23126   3.16028      0.792912 3.20461      1.07537  3.10747      1.17377  1.64198  0.339023  1.58742  0.375186  
1 1 1 58 5  29 o 1.70088  0.234684  3.16273      0.798338 3.66277      1.10367  2.61394      1.15621  1.74448  0.328381  1.41019  0.394578  
1 1 1 58 5  30 o 2.02265  0.209693  4.43657      0.848271 3.8931       1.16704  5.04532      1.23513  1.77046  0.341784  2.0772   0.297307  
1 1 1 58 5  31 o 0.567803 0.270723  -0.679497    0.844634 -1.18964     1.16964  -0.123577    1.221    0.621329 0.3012    0.75095  0.346682  
1 1 1 58 5  32 o 1.18259  0.365511  2.02035      0.95143  2.40432      1.32251  1.60844      1.36979  1.20056  0.431332  1.02027  0.418902  
1 1 1 58 5  33 o 0.570688 0.274601  -0.629153    0.920632 -0.0290512   1.30215  -1.22892     1.30179  0.721253 0.340456  0.614971 0.302922  
1 1 1 58 5  34 o 0.81045  0.351737  0.920922     1.05709  1.1294       1.42266  0.663939     1.57952  0.85043  0.386053  0.802894 0.37781   
1 1 1 58 5  35 o 0.767171 0.347402  1.06522      1.14378  2.01666      1.42707  -0.643848    1.91264  0.87163  0.391722  0.666236 0.333196  
1 1 1 58 6  0  o 1.70848  0.242135  3.10881      0.779792 3.10881      0.779792 3.10881      0.779792 1.73835  0.161821  ?        ?         
1 1 1 58 6  1  o 5.03374  0.0762462 25.374       0.767607 26.6573      1.09394  24.1293      1.07737  5.15609  0.106082  4.90504  0.109823  
1 1 1 58 6  2  o 4.93421  0.0732815 24.3782      0.723173 24.3442      1.01878  24.4127      1.02671  4.92759  0.103375  4.93444  0.104035  
1 1 1 58 6  3  o 3.92884  0.0780802 15.4591      0.613528 15.1258      0.853148 15.816       0.882938 3.8834   0.109846  3.97088  0.111177  
1 1 1 58 6  4  o 1.1912   0.229886  1.4848       0.528135 1.72824      0.79474  1.29226      0.706766 1.27394  0.31361   1.10687  0.308106  
1 1 1 58 6  5  o 4.10323  0.0846324 16.8682      0.694533 15.7568      1.02751  17.8032      0.942431 3.96079  0.12971   4.21251  0.111861  
1 1 1 58 6  6  o 3.72409  0.0807684 13.8937      0.601578 13.4486      0.841016 14.3601      0.86085  3.66067  0.114872  3.78282  0.113784  
1 1 1 58 6  7  o 3.17197  0.0893281 10.084       0.566692 10.9022      0.826837 9.35931      0.778217 3.29459  0.125484  3.05237  0.127478  
1 1 1 58 6  8  o 5.33133  0.0782141 28.4737      0.83397  27.7071      1.18392  29.2288      1.17495  5.2541   0.112666  5.39711  0.10885   
1 1 1 58 6  9  o 7.27674  0.0808194 53.0556      1.1762   50.5756      1.63422  55.7211      1.6942   7.09745  0.115127  7.45011  0.113703  
1 1 1 58 6  10 o 3.67558  0.0866545 13.542       0.637012 13.2128      0.911313 13.8566      0.890779 3.62581  0.12567   3.71393  0.119924  
1 1 1 58 6  11 o 1.94713  0.138921  3.81584      0.540993 3.5166       0.769304 4.10858      0.760924 1.86184  0.206598  2.01482  0.188831  
1 1 1 58 6  12 o 5.79913  0.0860182 33.7198      0.997662 33.4436      1.44034  33.9746      1.38321  5.76675  0.124883  5.81387  0.118958  
1 1 1 58 6  13 o 1.98012  0.147796  3.95158      0.585309 4.29959      0.84845  3.63557      0.808497 2.05779  0.206156  1.89116  0.213758  
1 1 1 58 6  14 o 6.26216  0.08621   39.3237      1.07972  40.5517      1.51517  38.0567      1.53903  6.35105  0.119285  6.15093  0.125105  
1 1 1 58 6  15 o 2.80197  0.120823  7.89661      0.677088 7.96467      1.01744  7.8425       0.90712  2.80383  0.181438  2.78576  0.162814  
1 1 1 58 6  16 o 0.715278 0.28409   0.301149     0.605802 0.369296     0.886618 0.241474     0.829679 0.840245 0.339818  0.788478 0.325258  
1 1 1 58 6  17 f 0.704469 0.283098  0.267676     0.609843 0.191082     0.861074 0.344762     0.86383  0.785367 0.328129  0.822786 0.334373  
1 1 1 58 6  18 o 3.77046  0.0994501 14.29        0.749946 13.629       1.02735  15.0439      1.09726  3.67295  0.139854  3.85824  0.142197  
1 1 1 58 6  19 o 2.17901  0.15824   4.81655      0.689613 4.94874      0.93975  4.66229      1.01513  2.19572  0.213996  2.12449  0.238911  
1 1 1 58 6  20 o 1.15951  0.292953  1.46777      0.680003 1.95653      0.972052 0.999352     0.951613 1.32411  0.358339  1.01762  0.365856  
1 1 1 58 6  21 o 2.84724  0.132059  8.20063      0.752005 8.24007      1.08836  8.16459      1.04027  2.836    0.191882  2.82568  0.184074  
1 1 1 58 6  22 o 2.43988  0.158714  6.06492      0.774486 8.42669      1.11774  3.88381      1.07414  2.86257  0.195233  1.91552  0.280378  
1 1 1 58 6  23 o 0.985673 0.329464  1.02284      0.763718 3.16502      1.13388  -0.755978    1.03325  1.6767   0.349597  0.676794 0.314912  
1 1 1 58 6  24 o 1.90471  0.21292   3.77185      0.811101 3.71593      1.1156   3.83455      1.18136  1.85591  0.300554  1.85039  0.331193  
1 1 1 58 6  25 o 2.29396  0.187369  5.44409      0.859636 5.1102       1.2033   5.79212      1.22851  2.18074  0.275892  2.32863  0.263785  
1 1 1 58 6  26 o 1.77501  0.223889  3.33518      0.794812 3.52695      1.10094  3.12642      1.14865  1.75287  0.326217  1.62327  0.362989  
1 1 1 58 6  27 o 0.927797 0.329223  0.925972     0.768348 0.705794     1.09775  1.13743      1.0758   0.926961 0.37686   1.02682  0.386071  
1 1 1 58 6  28 o 0.747562 0.311713  0.326754     0.774687 0.784645     1.04677  -0.227726    1.1519   0.921012 0.370574  0.761174 0.346026  
1 1 1 58 6  29 o 1.1069   0.333185  1.52317      0.79762  2.22873      1.09852  0.736428     1.16     1.29271  0.391394  0.90946  0.380469  
1 1 1 58 6  30 o 0.590688 0.273513  -0.369775    0.767389 -0.0696174   1.03669  -0.733599    1.14135  0.728304 0.330221  0.671503 0.31771   
1 1 1 58 6  31 o 0.475816 0.236491  -1.68948     0.873101 -2.3714      1.18693  -0.885406    1.28886  0.53487  0.267206  0.676238 0.325271  
1 1 1 58 6  32 o 1.42165  0.342269  2.77155      0.962929 3.06835      1.30488  2.41667      1.42686  1.36753  0.429141  1.16961  0.443317  
1 1 1 58 6  33 o 0.623275 0.29309   -0.203369    0.947442 -0.520865    1.27371  0.189901     1.41758  0.658661 0.318314  0.748684 0.354156  
1 1 1 58 6  34 o 0.817078 0.351733  1.01671      1.04082  0.550594     1.35473  1.68818      1.62601  0.763045 0.357137  0.900183 0.409724  
1 1 1 58 7  0  o 5.58072  0.106401  31.2241      1.18661  31.2241      1.18661  31.2241      1.18661  5.5843   0.0751575 ?        ?         
1 1 1 58 7  1  o 3.0357   0.0962265 9.23773      0.58423  9.15289      0.800655 9.33435      0.854414 3.0185   0.132625  3.04746  0.140185  
1 1 1 58 7  2  o 2.90376  0.0957549 8.45222      0.556099 8.31197      0.765936 8.60858      0.808689 2.87637  0.133143  2.92673  0.138156  
1 1 1 58 7  3  o 3.5556   0.0911696 12.6706      0.648325 11.4336      0.959086 13.7114      0.87978  3.37228  0.142202  3.69591  0.119021  
1 1 1 58 7  4  o 2.01678  0.136692  4.08835      0.551356 5.26442      0.86999  3.29894      0.712771 2.28315  0.190524  1.80673  0.197254  
1 1 1 58 7  5  o 4.04934  0.0790369 16.4259      0.640094 17.2136      0.917636 15.6794      0.893314 4.14185  0.110776  3.9527   0.113     
1 1 1 58 7  6  o 1.30691  0.180232  1.72397      0.471094 1.81213      0.684671 1.64471      0.649199 1.30928  0.270665  1.24636  0.268126  
1 1 1 58 7  7  o 3.06841  0.0905183 9.43795      0.555494 10.4789      0.845033 8.64581      0.737146 3.229    0.130851  2.93357  0.12564   
1 1 1 58 7  8  o 6.40957  0.0767165 41.1566      0.98344  42.5506      1.42263  39.8807      1.361    6.51119  0.109245  6.30387  0.10795   
1 1 1 58 7  9  o 3.56261  0.0865131 12.7224      0.616425 12.7739      0.882271 12.6734      0.86161  3.56528  0.123731  3.55158  0.1213    
1 1 1 58 7  10 o 2.99466  0.0976739 8.99673      0.585    8.70482      0.834651 9.27859      0.820168 2.94035  0.141931  3.03668  0.135043  
1 1 1 58 7  11 o 3.88572  0.0888395 15.1417      0.690411 14.0237      1.02121  16.0829      0.936999 3.73222  0.136809  4.00044  0.117112  
1 1 1 58 7  12 o 1.02929  0.26056   1.12687      0.537153 1.59928      0.764343 0.665896     0.755041 1.22018  0.311973  0.884412 0.325099  
1 1 1 58 7  13 o 4.05379  0.0854343 16.4774      0.692666 16.5562      0.993565 16.403       0.966163 4.05765  0.122431  4.03935  0.119594  
1 1 1 58 7  14 o 3.23974  0.103339  10.5402      0.669585 11.7445      0.969185 9.44052      0.926154 3.41344  0.141966  3.0587   0.151397  
1 1 1 58 7  15 o 2.42334  0.125395  5.90983      0.607749 5.12709      0.842635 6.75848      0.877393 2.24825  0.187398  2.58455  0.169738  
1 1 1 58 7  16 o 0.759239 0.287623  0.447826     0.600357 -0.975569    0.892257 1.62533      0.811537 0.596009 0.281481  1.22231  0.325908  
1 1 1 58 7  17 o 1.91446  0.170335  3.71914      0.652199 4.47945      0.966634 3.08378      0.883642 2.08825  0.231445  1.72761  0.255741  
1 1 1 58 7  18 o 3.39386  0.114871  11.6037      0.779714 11.1683      1.00831  12.2512      1.22973  3.32037  0.151837  3.46956  0.177217  
1 1 1 58 7  19 o 2.32263  0.155204  5.47153      0.720964 5.07742      0.993859 5.90929      1.04744  2.22059  0.223782  2.39723  0.218469  
1 1 1 58 7  20 o 0.791937 0.301627  0.498399     0.663181 -0.517964    0.961855 1.41939      0.915613 0.686613 0.313215  1.14165  0.35972   
1 1 1 58 7  21 o 3.88003  0.107795  15.1786      0.836496 15.008       1.17516  15.3538      1.19096  3.84236  0.152922  3.88624  0.153228  
1 1 1 58 7  22 o 0.902687 0.321627  0.792928     0.733969 1.47169      1.02054  0.0656826    1.05636  1.15691  0.380852  0.816948 0.353043  
1 1 1 58 7  23 o 1.92055  0.195834  3.80237      0.752216 3.7485       1.07584  3.8539       1.05215  1.87501  0.286889  1.90557  0.276071  
1 1 1 58 7  24 o 1.11029  0.331385  1.3832       0.791281 1.79169      1.12846  0.988067     1.10986  1.24574  0.400082  1.02398  0.390143  
1 1 1 58 7  25 o 2.18114  0.197574  4.95598      0.861874 6.58597      1.20726  3.26174      1.23083  2.48932  0.242488  1.65729  0.37935   
1 1 1 58 7  26 o 0.81222  0.32464   0.510529     0.795807 0.624412     1.13009  0.398503     1.12085  0.921351 0.379758  0.873263 0.37006   
1 1 1 58 7  27 o 2.19052  0.186866  5.025        0.818669 5.57677      1.1862   4.52312      1.1313   2.25808  0.262656  2.022    0.279747  
1 1 1 58 7  28 o 1.45243  0.277247  2.42266      0.776506 2.53286      1.05554  2.29268      1.14636  1.41628  0.368989  1.32281  0.39969   
1 1 1 58 7  29 o 0.985959 0.333757  1.18661      0.783749 0.809691     1.07942  1.6069       1.13982  0.909275 0.372348  1.10582  0.400122  
1 1 1 58 7  30 o 0.831883 0.325851  0.749548     0.787492 1.30521      1.10096  0.167434     1.12686  0.99877  0.386497  0.777812 0.348864  
1 1 1 58 7  31 o 0.751444 0.324548  0.421977     0.891739 0.12398      1.25077  0.73004      1.27171  0.774207 0.354752  0.865914 0.380752  
1 1 1 58 7  32 f 0.699629 0.317018  0.17577      0.953949 1.45415      1.27256  -1.46415     1.44132  0.957563 0.39941   0.641888 0.316142  
1 1 1 58 7  33 o 0.730354 0.32633   0.531435     0.977677 1.60743      1.29551  -0.892086    1.49011  0.91926  0.393965  0.658357 0.324296  
1 1 1 58 7  34 o 0.710817 0.326051  0.520595     1.05969  0.311348     1.40249  0.798985     1.6177   0.714444 0.342589  0.769601 0.368771  
1 1 1 58 8  0  o 1.40564  0.344344  2.32226      0.837613 2.32226      0.837613 2.32226      0.837613 1.4754   0.213932  ?        ?         
1 1 1 58 8  1  o 5.9185   0.0769724 35.0868      0.911123 34.8998      1.29563  35.2697      1.28153  5.89774  0.109841  5.92923  0.108069  
1 1 1 58 8  2  o 3.09779  0.0961709 9.62129      0.595834 9.18143      0.85009  10.0461      0.835375 3.02175  0.140662  3.16185  0.132102  
1 1 1 58 8  3  o 2.48902  0.114413  6.21833      0.569552 5.49818      0.875347 6.74704      0.750031 2.33325  0.187581  2.58984  0.144802  
1 1 1 58 8  4  o 3.04962  0.0936016 9.32377      0.5709   8.6723       0.804846 9.9835       0.809925 2.93697  0.13702   3.15221  0.12847   
1 1 1 58 8  5  f 2.83309  0.0958946 8.04817      0.543356 8.03246      0.800631 8.06159      0.739811 2.82586  0.141661  2.83222  0.130606  
1 1 1 58 8  6  o 2.73739  0.0968632 7.51458      0.530306 6.82228      0.78552  8.09434      0.71884  2.60302  0.150886  2.83819  0.126637  
1 1 1 58 8  7  o 4.35611  0.0776237 19.0113      0.676275 19.1072      0.998439 18.93        0.919255 4.36224  0.114441  4.34326  0.105826  
1 1 1 58 8  8  o 0.697116 0.261917  0.373313     0.494961 -0.0339979   0.698567 0.783938     0.701402 0.669398 0.288159  0.911283 0.315405  
1 1 1 58 8  9  o 1.62928  0.157226  2.67685      0.512332 2.54871      0.727405 2.803        0.721722 1.58218  0.229874  1.66081  0.21728   
1 1 1 58 8  10 o 5.38239  0.0799779 29.0371      0.860945 28.4173      1.23749  29.6186      1.19857  5.31774  0.116355  5.4303   0.110359  
1 1 1 58 8  11 o 4.37632  0.0864728 19.2036      0.756865 21.1437      1.16224  17.7749      0.997324 4.58492  0.126746  4.20535  0.118578  
1 1 1 58 8  12 o 2.05331  0.133655  4.24365      0.548869 3.30016      0.745623 5.35962      0.810919 1.80246  0.206834  2.30195  0.176138  
1 1 1 58 8  13 o 0.7621   0.276414  0.501524     0.544252 -0.394005    0.776719 1.36535      0.762845 0.631564 0.286123  1.13009  0.321901  
1 1 1 58 8  14 o 5.50952  0.0857647 30.4445      0.945045 31.8752      1.3354   29.009       1.33759  5.62978  0.118602  5.36914  0.124563  
1 1 1 58 8  15 o 2.74118  0.119397  7.56297      0.654578 7.85231      0.948746 7.30012      0.904281 2.7838   0.170405  2.68454  0.168424  
1 1 1 58 8  16 o 1.73242  0.174778  3.04742      0.605576 4.17456      0.865232 1.9651       0.84786  2.02006  0.21416   1.34228  0.319914  
1 1 1 58 8  17 o 2.70772  0.131385  7.39997      0.711505 6.71565      1.04277  7.9961       0.973261 2.56293  0.203434  2.80499  0.173487  
1 1 1 58 8  18 o 3.53299  0.110931  12.5713      0.783838 11.5501      1.07453  13.7327      1.14594  3.37372  0.15925   3.67987  0.155704  
1 1 1 58 8  19 o 0.729637 0.293523  0.300083     0.656573 1.56665      0.953875 -0.840295    0.905112 1.19371  0.365381  0.615597 0.288801  
1 1 1 58 8  20 o 1.60174  0.211399  2.6423       0.677215 2.01199      0.927545 3.36188      0.99106  1.34114  0.344125  1.7881   0.277126  
1 1 1 58 8  21 o 3.77002  0.116474  14.3571      0.878222 15.3887      1.26843  13.4073      1.21714  3.88447  0.163269  3.62373  0.167941  
1 1 1 58 8  22 o 2.07479  0.176986  4.40806      0.734418 4.69171      1.02567  4.10961      1.05208  2.11895  0.242023  1.97417  0.266461  
1 1 1 58 8  23 o 1.75016  0.218961  3.19143      0.766433 3.24432      1.07716  3.13719      1.09077  1.70104  0.328336  1.66618  0.339101  
1 1 1 58 8  24 f 1.7229   0.245389  3.14055      0.84556  3.69909      1.1816   2.55433      1.21052  1.80451  0.339863  1.46158  0.401831  
1 1 1 58 8  25 o 0.685576 0.296557  0.0514947    0.746744 0.186622     1.02948  -0.0985445   1.0848   0.810814 0.349433  0.777461 0.345657  
1 1 1 58 8  26 o 0.593206 0.275592  -0.522226    0.787433 -0.0589627   1.12372  -0.969175    1.10375  0.790627 0.351648  0.659628 0.312253  
1 1 1 58 8  27 o 0.714449 0.304949  0.185537     0.770695 -0.420343    1.06708  0.846223     1.1143   0.709279 0.326117  0.949906 0.382282  
1 1 1 58 8  28 o 0.986203 0.339481  1.16663      0.81163  1.22257      1.15768  1.11255      1.13821  1.0187   0.39589   0.991661 0.390808  
1 1 1 58 8  29 o 0.668707 0.295472  0.0323222    0.77666  0.519102     1.05821  -0.536041    1.14346  0.841069 0.358111  0.698338 0.327076  
1 1 1 58 8  30 o 1.15039  0.335173  1.75501      0.817968 1.61066      1.11628  1.92238      1.20203  1.06107  0.394387  1.13268  0.410792  
1 1 1 58 8  31 o 1.02507  0.371495  1.52856      0.982899 2.30225      1.30449  0.512433     1.49496  1.17831  0.427881  0.856365 0.390606  
1 1 1 58 8  32 o 0.646487 0.300919  -0.0704616   0.944541 -0.114926    1.21703  -0.00311179  1.49783  0.697613 0.329251  0.751    0.35865   
1 1 1 58 8  33 o 1.1212   0.3807    2.18532      1.01972  3.16477      1.33582  0.817443     1.57862  1.25447  0.435165  0.817757 0.383239  
1 1 1 58 8  34 f 0.801588 0.35066   1.24881      1.06731  1.45522      1.44043  0.997502     1.58936  0.800247 0.372149  0.751861 0.361538  
1 1 1 58 9  0  o 2.96244  0.136021  8.85506      0.802038 8.85506      0.802038 8.85506      0.802038 2.96915  0.0957286 ?        ?         
1 1 1 58 9  1  o 1.82476  0.153079  3.35271      0.558662 3.43349      0.727628 3.23671      0.871947 1.84249  0.197458  1.78357  0.244439  
1 1 1 58 9  2  o 2.23804  0.12871   5.0334       0.576113 4.97022      0.873849 5.08198      0.766215 2.21675  0.197101  2.24471  0.170671  
1 1 1 58 9  3  o 3.49246  0.0894515 12.2265      0.624812 10.7998      0.936558 13.3708      0.838747 3.27634  0.142928  3.64942  0.114915  
1 1 1 58 9  4  o 3.61516  0.0833841 13.097       0.602893 12.3024      0.86185  13.8585      0.843679 3.49941  0.123142  3.71541  0.113538  
1 1 1 58 9  5  o 2.87396  0.0922671 8.2815       0.530344 9.02735      0.783394 7.65047      0.720577 2.99657  0.130715  2.75861  0.130605  
1 1 1 58 9  6  o 2.24529  0.113117  5.06188      0.507962 5.82765      0.754729 4.42775      0.6868   2.40453  0.156939  2.09517  0.163901  
1 1 1 58 9  7  o 4.81191  0.075679  23.1983      0.728321 21.9903      1.0173   24.4685      1.04319  4.68014  0.108683  4.93736  0.105643  
1 1 1 58 9  8  o 3.51301  0.0892073 12.3753      0.626772 13.4163      0.885501 11.3301      0.887282 3.65346  0.121187  3.35578  0.132202  
1 1 1 58 9  9  o 2.20664  0.12585   4.8971       0.555412 5.4343       0.783881 4.35551      0.787072 2.31917  0.169001  2.07347  0.189795  
1 1 1 58 9  10 o 2.11819  0.129928  4.51389      0.550424 4.28835      0.767279 4.75303      0.790053 2.05794  0.18642   2.16716  0.182278  
1 1 1 58 9  11 o 2.72936  0.108306  7.4814       0.591211 7.82909      0.851205 7.15735      0.82177  2.78608  0.15276   2.66365  0.154256  
1 1 1 58 9  12 o 2.66545  0.108911  7.13761      0.580596 7.56931      0.832669 6.72913      0.809973 2.73888  0.152009  2.58165  0.156871  
1 1 1 58 9  13 o 2.19402  0.131895  4.84727      0.578763 4.59441      0.814977 5.10454      0.822058 2.12776  0.19151   2.24418  0.183153  
1 1 1 58 9  14 o 4.88616  0.0860713 23.9524      0.841117 23.8913      1.17912  24.0157      1.2002   4.87213  0.121006  4.88431  0.122863  
1 1 1 58 9  15 o 2.12749  0.146187  4.57459      0.622021 4.22852      0.911765 4.87589      0.850744 2.03105  0.224457  2.18767  0.194441  
1 1 1 58 9  16 o 3.36135  0.106115  11.3651      0.713378 10.8397      1.02866  11.852       0.990178 3.27127  0.157227  3.42398  0.144595  
1 1 1 58 9  17 o 4.34575  0.110511  19.0176      0.96051  15.9277      1.43956  21.4971      1.28953  3.95346  0.182063  4.61065  0.139842  
1 1 1 58 9  18 o 3.31236  0.113649  11.0569      0.752893 10.4317      1.09158  11.6241      1.03981  3.20189  0.170459  3.38543  0.153572  
1 1 1 58 9  19 o 1.03564  0.297396  1.16425      0.648558 0.779444     0.906958 1.56693      0.927797 0.943084 0.354503  1.19113  0.359509  
1 1 1 58 9  20 o 0.742971 0.297656  0.337894     0.67125  -0.616373    0.952703 1.27862      0.945917 0.665185 0.306762  1.09377  0.366664  
1 1 1 58 9  21 o 1.50949  0.243617  2.38095      0.735476 2.78036      1.02084  1.94988      1.06053  1.57683  0.33392   1.30689  0.38193   
1 1 1 58 9  22 o 1.7971   0.205858  3.34001      0.739897 3.51514      1.03467  3.15673      1.05848  1.8164   0.284813  1.68354  0.325997  
1 1 1 58 9  23 o 2.56871  0.160461  6.74831      0.824354 7.61394      1.11084  5.6873       1.22984  2.7094   0.204998  2.31356  0.26579   
1 1 1 58 9  24 o 3.4777   0.134002  12.3239      0.932034 13.1989      1.28981  11.3677      1.34832  3.57218  0.180536  3.29979  0.204304  
1 1 1 58 9  25 f 1.63594  0.234533  2.85548      0.767362 2.92822      1.03367  2.76617      1.14533  1.58338  0.336529  1.50962  0.379468  
1 1 1 58 9  26 o 1.25067  0.313544  1.82992      0.78351  1.2862       1.09779  2.39443      1.1186   1.06412  0.391921  1.38695  0.388118  
1 1 1 58 9  27 o 0.966876 0.333629  1.08209      0.784291 1.8921       1.07454  0.158591     1.14735  1.21593  0.390397  0.817008 0.360304  
1 1 1 58 9  28 o 1.49959  0.285825  2.63943      0.826441 2.56519      1.15978  2.71603      1.17797  1.38035  0.398119  1.42151  0.398445  
1 1 1 58 9  29 o 0.642558 0.290715  -0.120093    0.799214 -0.390305    1.07161  0.218592     1.19973  0.689479 0.320773  0.80903  0.361488  
1 1 1 58 9  30 o 1.00658  0.345462  1.38213      0.839939 2.00643      1.14398  0.651941     1.23719  1.1469   0.402241  0.854892 0.375729  
1 1 1 58 9  31 o 1.56763  0.317246  3.21673      0.959897 4.20588      1.31117  2.0743       1.40911  1.68747  0.395066  1.09657  0.433984  
1 1 1 58 9  32 o 2.04817  0.257636  5.26873      1.05536  5.96228      1.41335  4.39468      1.58665  1.97879  0.370828  1.44151  0.474878  
1 1 1 58 9  33 o 0.527992 0.261415  -1.31067     1.02958  -0.254795    1.30638  -3.04172     1.6727   0.675238 0.325445  0.574122 0.290694  
1 1 1 58 10 0  o 3.18151  0.135452  10.2055      0.858328 10.2055      0.858328 10.2055      0.858328 3.18808  0.0953805 ?        ?         
1 1 1 58 10 1  o 3.27631  0.0983598 10.7664      0.644514 10.916       0.866995 10.5816      0.963601 3.29506  0.13156   3.24179  0.148622  
1 1 1 58 10 2  o 6.15617  0.0760641 37.9669      0.936527 37.8286      1.34273  38.098       1.30689  6.13896  0.109362  6.16146  0.106054  
1 1 1 58 10 3  o 0.589393 0.245837  0.0794622    0.482079 -0.428013    0.697686 0.543114     0.666881 0.587722 0.267741  0.819502 0.304785  
1 1 1 58 10 4  o 2.34286  0.108954  5.50991      0.510526 5.68087      0.727485 5.34402      0.716622 2.3744   0.153194  2.30265  0.155608  
1 1 1 58 10 5  o 5.99723  0.074338  36.0324      0.891644 37.3428      1.31631  34.9213      1.21208  6.09901  0.107912  5.89903  0.102736  
1 1 1 58 10 6  o 5.18049  0.0752035 26.8894      0.779182 26.9102      1.12977  26.8705      1.07605  5.17688  0.109117  5.17403  0.103986  
1 1 1 58 10 7  o 4.23257  0.0794308 17.955       0.672394 17.3073      0.943183 18.6243      0.958827 4.15061  0.11362   4.30603  0.111335  
1 1 1 58 10 8  o 1.07604  0.247735  1.22899      0.522462 2.22221      0.73033  0.187905     0.747723 1.45193  0.260998  0.744841 0.308132  
1 1 1 58 10 9  o 3.61987  0.0907071 13.142       0.656695 13.2037      0.931668 13.0812      0.925775 3.62288  0.128581  3.60607  0.128364  
1 1 1 58 10 10 o 2.50612  0.111687  6.30956      0.559802 6.01542      0.79812  6.59439      0.785392 2.44054  0.163513  2.55677  0.153591  
1 1 1 58 10 11 o 5.44927  0.0818096 29.7724      0.891605 27.9266      1.29495  31.4362      1.22944  5.26899  0.122884  5.59357  0.109898  
1 1 1 58 10 12 o 3.56574  0.0928997 12.7584      0.662513 12.1222      0.928602 13.4181      0.945497 3.46919  0.133835  3.65075  0.129494  
1 1 1 58 10 13 o 2.10005  0.141762  4.44849      0.595414 4.52761      0.854454 4.37381      0.830157 2.1091   0.202563  2.0734   0.200193  
1 1 1 58 10 14 o 6.73426  0.0898188 45.5324      1.20973  47.5743      1.75743  43.6936      1.66772  6.86968  0.127912  6.58406  0.126648  
1 1 1 58 10 15 o 3.9954   0.09837   16.0421      0.786055 14.9907      1.20168  16.8283      1.03923  3.84787  0.156149  4.08537  0.127189  
1 1 1 58 10 16 o 2.82806  0.126258  8.06987      0.714133 8.64291      0.976385 7.4107       1.0472   2.91682  0.167372  2.69357  0.19439   
1 1 1 58 10 17 o 0.905074 0.297519  0.838417     0.622796 1.52165      0.894713 0.196176     0.867454 1.17922  0.352464  0.784787 0.328706  
1 1 1 58 10 18 o 2.64858  0.132222  7.09172      0.700398 7.73751      0.993116 6.45266      0.98793  2.75344  0.180341  2.50963  0.196828  
1 1 1 58 10 19 o 0.771545 0.299053  0.443754     0.659696 0.766152     0.968159 0.164332     0.901324 0.95138  0.363832  0.785967 0.332396  
1 1 1 58 10 20 f 0.66296  0.285681  0.0100839    0.687956 -0.201896    0.9704   0.224277     0.975453 0.737719 0.327565  0.821702 0.346567  
1 1 1 58 10 21 o 0.856994 0.314109  0.676612     0.704416 0.695935     0.978893 0.655859     1.01445  0.930717 0.363557  0.930014 0.368177  
1 1 1 58 10 22 o 0.817311 0.317142  0.53208      0.742343 1.37237      1.00629  -0.471205    1.09956  1.11681  0.378184  0.73796  0.336166  
1 1 1 58 10 23 o 0.823642 0.327492  0.500432     0.805863 0.377486     1.1128   0.636008     1.16857  0.883134 0.371208  0.950272 0.387991  
1 1 1 58 10 24 o 2.64106  0.158614  7.17563      0.837818 8.06928      1.14763  6.15585      1.22595  2.77342  0.206898  2.39273  0.256182  
1 1 1 58 10 25 o 3.65555  0.120994  13.6078      0.884596 12.9842      1.2263   14.2844      1.27727  3.53735  0.173337  3.71121  0.172082  
1 1 1 58 10 26 o 2.31592  0.176077  5.60128      0.815561 5.69614      1.10111  5.486        1.21387  2.29416  0.239982  2.22707  0.272525  
1 1 1 58 10 27 o 2.47499  0.172618  6.435        0.854453 5.87332      1.15023  7.12661      1.27635  2.30408  0.249606  2.53604  0.251642  
1 1 1 58 10 28 o 0.637377 0.2873    -0.126199    0.773381 0.186112     1.02699  -0.535312    1.17543  0.773875 0.341134  0.709122 0.332035  
1 1 1 58 10 29 o 0.55672  0.266332  -0.75392     0.835187 0.913382     1.1776   -2.4414      1.1847   0.912611 0.382649  0.534957 0.267207  
1 1 1 58 10 30 o 0.740033 0.320957  0.382943     0.879043 -0.316316    1.16725  1.29913      1.33609  0.699548 0.328146  0.965432 0.406319  
1 1 1 58 10 31 o 0.594094 0.282929  -0.474035    0.918394 -0.296288    1.23854  -0.691148    1.36883  0.69259  0.329231  0.68015  0.32892   
1 1 1 58 10 32 o 1.08301  0.376548  2.06059      1.00067  2.46429      1.37994  1.61286      1.45323  1.06627  0.426946  0.908303 0.402391  
1 1 1 58 10 33 o 0.762816 0.349183  0.862984     1.20844  -0.208077    1.63432  2.15488      1.79492  0.689951 0.339862  0.884472 0.412901  
1 1 1 58 11 0  o 0.89522  0.382027  1.15944      0.692475 1.15944      0.692475 1.15944      0.692475 0.962809 0.291976  ?        ?         
1 1 1 58 11 1  o 2.25833  0.125669  5.12665      0.567604 6.12773      0.820159 4.20644      0.786334 2.46403  0.166426  2.03831  0.192888  
1 1 1 58 11 2  o 2.6902   0.103169  7.26284      0.555091 7.68663      0.83939  6.93347      0.740004 2.76174  0.151968  2.62436  0.140988  
1 1 1 58 11 3  o 0.776292 0.261849  0.578788     0.482414 0.11215      0.672623 1.07309      0.692273 0.693027 0.289808  1.01596  0.311332  
1 1 1 58 11 4  o 3.8632   0.0798148 14.9573      0.616682 14.4025      0.863104 15.5359      0.881424 3.78648  0.113972  3.93294  0.112057  
1 1 1 58 11 5  o 4.07269  0.0835973 16.6282      0.680931 17.6118      1.01983  15.8369      0.914688 4.18551  0.121829  3.97012  0.115197  
1 1 1 58 11 6  o 2.60707  0.10334   6.82298      0.538827 7.4975       0.797988 6.25772      0.730509 2.72759  0.146281  2.49185  0.14658   
1 1 1 58 11 7  f 2.76374  0.104998  7.66848      0.580375 7.28508      0.83768  8.02242      0.804852 2.6873   0.155859  2.82202  0.142602  
1 1 1 58 11 8  o 3.07698  0.0963286 9.49917      0.592802 9.47488      0.843882 9.52283      0.832923 3.06767  0.137544  3.07575  0.135402  
1 1 1 58 11 9  o 6.23687  0.0833676 38.9998      1.03991  37.9775      1.48499  39.9836      1.45672  6.14572  0.120815  6.30744  0.115476  
1 1 1 58 11 10 o 5.23441  0.0791274 27.4668      0.82837  26.6308      1.18409  28.268       1.15929  5.14708  0.115026  5.30428  0.109278  
1 1 1 58 11 11 o 3.27694  0.10006   10.7814      0.655779 10.3454      0.945894 11.1848      0.909973 3.20236  0.147687  3.33185  0.136557  
1 1 1 58 11 12 o 1.12229  0.253002  1.34329      0.554322 2.05429      0.81821  0.740099     0.753627 1.38043  0.304534  0.9047   0.325548  
1 1 1 58 11 13 o 3.48297  0.097886  12.1888      0.681868 12.9871      1.01704  11.537       0.919011 3.58604  0.141805  3.38126  0.135898  
1 1 1 58 11 14 o 5.90837  0.0940421 35.0657      1.11127  35.3769      1.66892  34.8178      1.48949  5.91803  0.141003  5.87672  0.126728  
1 1 1 58 11 15 o 2.16852  0.144724  4.75683      0.627673 4.00385      0.896899 5.47958      0.878708 1.97292  0.227302  2.31789  0.189549  
1 1 1 58 11 16 o 2.66109  0.124703  7.14564      0.663693 7.17092      0.96484  7.12294      0.914397 2.65234  0.181885  2.64589  0.172795  
1 1 1 58 11 17 o 0.632344 0.272467  -0.0109717   0.625692 0.0623089    0.908174 -0.0771831   0.863259 0.76963  0.329846  0.723644 0.315972  
1 1 1 58 11 18 o 0.93055  0.301144  0.904813     0.638459 0.399383     0.902369 1.41148      0.903468 0.841095 0.341771  1.13677  0.357156  
1 1 1 58 11 19 o 1.24903  0.279527  1.70867      0.68071  1.27823      1.02479  2.04855      0.910628 1.10086  0.381222  1.35021  0.337736  
1 1 1 58 11 20 o 0.820306 0.313279  0.551163     0.717007 -0.118176    1.03396  1.1712       0.995151 0.775858 0.342113  1.06392  0.374963  
1 1 1 58 11 21 o 2.22074  0.171619  5.05128      0.762245 5.11018      1.00957  4.97318      1.16248  2.21376  0.228022  2.1669   0.268236  
1 1 1 58 11 22 o 1.49838  0.273258  2.45412      0.788534 1.80027      1.03651  3.35247      1.21494  1.24848  0.380624  1.70602  0.366612  
1 1 1 58 11 23 o 0.608111 0.277222  -0.362028    0.750799 -0.211464    1.0503   -0.519365    1.07366  0.751756 0.337     0.713751 0.327731  
1 1 1 58 11 24 o 2.10507  0.191821  4.62955      0.807593 6.1201       1.12485  3.04389      1.16019  2.39533  0.234801  1.59205  0.37091   
1 1 1 58 11 25 o 0.698215 0.298347  0.143564     0.739112 0.0345014    1.02298  0.262677     1.06907  0.772878 0.34061   0.827664 0.356385  
1 1 1 58 11 26 o 0.981504 0.327522  1.12508      0.75474  0.819872     0.968849 1.59618      1.2037   0.913686 0.360409  1.13123  0.410997  
1 1 1 58 11 27 o 0.611909 0.282295  -0.365933    0.807738 -1.16171     1.08659  0.616958     1.2076   0.61474  0.296415  0.89422  0.381702  
1 1 1 58 11 28 o 1.00096  0.34339   1.25632      0.829816 0.656434     1.10975  2.01712      1.24976  0.872842 0.368969  1.19087  0.420151  
1 1 1 58 11 29 o 1.63375  0.266524  3.15052      0.870867 4.26382      1.20753  1.94383      1.25715  1.79781  0.348263  1.12231  0.418257  
1 1 1 58 11 30 o 0.650696 0.300672  -0.174756    0.921131 -0.241452    1.20673  -0.0816363   1.42588  0.713378 0.334456  0.773646 0.362864  
1 1 1 58 11 31 o 0.687934 0.313348  0.209882     0.954866 0.930045     1.30557  -0.618399    1.40015  0.836236 0.375279  0.678361 0.329066  
1 1 1 58 11 32 o 0.622439 0.298567  -0.430031    1.06737  0.450902     1.49616  -1.34309     1.5232   0.777318 0.366338  0.639585 0.316981  
1 1 1 58 11 33 o 0.662772 0.319935  0.118286     1.27462  -0.745911    1.85025  0.898831     1.75842  0.656736 0.328368  0.745381 0.363394  
1 1 1 58 12 0  o 2.32861  0.163307  5.52723      0.751962 5.52723      0.751962 5.52723      0.751962 2.33998  0.114237  ?        ?         
1 1 1 58 12 1  o 3.25406  0.0916658 10.6208      0.596572 10.6409      0.867673 10.6027      0.821575 3.25164  0.133421  3.24684  0.126519  
1 1 1 58 12 2  o 1.66239  0.150472  2.78615      0.500286 2.76207      0.66968  2.81656      0.752574 1.64965  0.202976  1.66287  0.226288  
1 1 1 58 12 3  o 8.1535   0.0799565 66.633       1.30385  64.0984      1.83712  69.2054      1.8508   7.987    0.115007  8.30027  0.11149   
1 1 1 58 12 4  o 5.83996  0.0768424 34.1776      0.897513 33.7586      1.31446  34.5437      1.22845  5.79672  0.11338   5.86574  0.104714  
1 1 1 58 12 5  o 4.43921  0.0789504 19.7507      0.700955 21.0383      1.02159  18.6051      0.963551 4.57645  0.111614  4.30362  0.111947  
1 1 1 58 12 6  o 1.70352  0.155244  2.92699      0.528925 3.11997      0.787436 2.76833      0.713974 1.75042  0.224927  1.64994  0.216364  
1 1 1 58 12 7  o 1.98721  0.137362  3.97635      0.545935 3.32081      0.804694 4.5354       0.743115 1.8058   0.222808  2.11762  0.17546   
1 1 1 58 12 8  o 2.38098  0.115311  5.69798      0.549107 6.31207      0.801067 5.15369      0.754164 2.50008  0.160208  2.2581   0.166991  
1 1 1 58 12 9  o 3.57982  0.0905476 12.8568      0.648288 12.274       0.91892  13.4342      0.914729 3.49144  0.131596  3.65391  0.125171  
1 1 1 58 12 10 o 3.63     0.0898317 13.2196      0.652178 12.6808      0.920623 13.7624      0.924024 3.54892  0.129705  3.69809  0.124933  
1 1 1 58 12 11 o 5.50492  0.0824901 30.3939      0.908203 29.9574      1.30697  30.8014      1.26295  5.45625  0.119768  5.53417  0.114105  
1 1 1 58 12 12 o 3.3417   0.10227   11.225       0.683513 10.0909      1.00627  12.1965      0.931336 3.15692  0.159376  3.47701  0.133928  
1 1 1 58 12 13 o 4.23816  0.0872273 18.0313      0.739367 17.6509      1.04636  18.4107      1.04488  4.18474  0.125021  4.27461  0.12222   
1 1 1 58 12 14 o 2.89772  0.116649  8.459        0.676034 8.37349      0.971945 8.53914      0.940923 2.87131  0.169251  2.90141  0.162149  
1 1 1 58 12 15 o 4.56596  0.0934614 20.9534      0.853482 20.2349      1.28738  21.5169      1.14002  4.4715   0.143954  4.61825  0.123426  
1 1 1 58 12 16 o 0.818383 0.291604  0.623123     0.603347 0.797749     0.885904 0.472057     0.82398  0.945654 0.35137   0.837275 0.331706  
1 1 1 58 12 17 o 0.616557 0.268627  -0.0642036   0.621114 -0.173328    0.905706 0.0326813    0.853401 0.721407 0.318876  0.740791 0.31869   
1 1 1 58 12 18 o 3.39504  0.119396  11.6433      0.810707 12.3052      1.1082   10.8812      1.18909  3.47663  0.159379  3.26036  0.182356  
1 1 1 58 12 19 o 1.82338  0.193406  3.41846      0.705302 4.41489      1.00022  2.43299      0.994701 2.0558   0.243267  1.46939  0.344161  
1 1 1 58 12 20 o 0.784892 0.314076  0.398817     0.746078 1.24982      1.03552  -0.519784    1.07586  1.09086  0.382687  0.726386 0.331331  
1 1 1 58 12 21 o 0.868668 0.32313   0.693219     0.749645 -0.290403    0.993439 1.99398      1.14242  0.726025 0.326528  1.30662  0.399849  
1 1 1 58 12 22 o 1.13304  0.327529  1.46067      0.78409  0.493908     1.07079  2.57832      1.15132  0.895029 0.369409  1.47453  0.385926  
1 1 1 58 12 23 o 1.08094  0.319652  1.34018      0.738632 0.953655     0.985349 1.83599      1.11597  0.975474 0.368791  1.23427  0.398009  
1 1 1 58 12 24 o 1.8424   0.207112  3.57668      0.763166 3.58992      1.03873  3.56114      1.12498  1.80323  0.28802   1.74991  0.333426  
1 1 1 58 12 25 o 1.76977  0.215006  3.33788      0.761023 2.69649      1.00273  4.20919      1.16873  1.49962  0.341815  1.92979  0.302813  
1 1 1 58 12 26 o 0.955623 0.328815  1.0675       0.761358 1.74529      0.985859 0.0658604    1.19845  1.16977  0.373776  0.808536 0.361281  
1 1 1 58 12 27 o 0.886535 0.330261  0.881728     0.783668 0.723383     1.03745  1.09214      1.19591  0.882905 0.363877  0.983009 0.395855  
1 1 1 58 12 28 o 1.05697  0.344415  1.46873      0.834608 1.10031      1.14127  1.89227      1.22366  0.952156 0.385351  1.13824  0.414307  
1 1 1 58 12 29 o 1.18732  0.34125   1.93521      0.85357  0.69169      1.15356  3.43991      1.26893  0.84553  0.367207  1.50996  0.409771  
1 1 1 58 12 30 o 0.808834 0.348489  0.697332     1.02342  1.7809       1.45739  -0.356842    1.43748  1.01774  0.426159  0.734936 0.351067  
1 1 1 58 12 31 o 1.08839  0.392859  2.16876      1.09823  2.34143      1.65316  2.03236      1.46931  1.00332  0.43768   0.980259 0.419815  
1 1 1 58 12 32 o 0.831909 0.365089  1.14338      1.1646   0.604177     1.70695  1.61296      1.59294  0.782752 0.375974  0.882301 0.402642  
1 1 1 58 13 0  o 8.29646  0.113394  69.0284      1.88075  69.0284      1.88075  69.0284      1.88075  8.30236  0.0801079 ?        ?         
1 1 1 58 13 1  o 2.69232  0.107839  7.27882      0.580674 7.15589      0.855533 7.38383      0.790688 2.66265  0.160655  2.7069   0.146051  
1 1 1 58 13 2  o 1.01551  0.252697  1.0959       0.511791 0.478135     0.700014 1.80532      0.750147 0.807665 0.309227  1.29866  0.295395  
1 1 1 58 13 3  o 5.40801  0.0752477 29.3058      0.813881 29.3579      1.14715  29.253       1.15489  5.40732  0.106074  5.39746  0.106985  
1 1 1 58 13 4  f 2.51289  0.104547  6.33943      0.525429 6.66115      0.731702 5.9969       0.754984 2.57149  0.142272  2.43827  0.15482   
1 1 1 58 13 5  o 4.15434  0.0780105 17.2972      0.648163 17.7305      0.908366 16.8478      0.925148 4.20166  0.108096  4.09491  0.112963  
1 1 1 58 13 6  o 1.89956  0.130051  3.63156      0.494081 2.41115      0.673079 5.05756      0.727569 1.5388   0.218703  2.23763  0.162575  
1 1 1 58 13 7  o 3.55245  0.0826031 12.6539      0.586886 12.3529      0.804202 12.9967      0.858413 3.50559  0.114703  3.595    0.11939   
1 1 1 58 13 8  o 2.80695  0.103878  7.91289      0.583161 6.61893      0.794699 9.42263      0.858408 2.56039  0.155191  3.05758  0.140374  
1 1 1 58 13 9  o 0.48172  0.224084  -0.456776    0.522725 -0.146033    0.718822 -0.805523    0.761512 0.652176 0.286516  0.557393 0.2623    
1 1 1 58 13 10 o 0.704879 0.269249  0.365843     0.529707 0.714374     0.742671 0.00494035   0.755737 0.892834 0.322985  0.701004 0.300679  
1 1 1 58 13 11 o 5.26562  0.0861583 27.8292      0.907354 25.5878      1.31652  29.8572      1.25227  5.03722  0.130679  5.44641  0.114963  
1 1 1 58 13 12 o 0.8444   0.280162  0.712548     0.552252 0.591637     0.796352 0.824565     0.766506 0.866791 0.330413  0.931523 0.329001  
1 1 1 58 13 13 o 1.95034  0.149306  3.84978      0.582396 3.37665      0.861462 4.24805      0.790386 1.8099   0.237986  2.04037  0.193687  
1 1 1 58 13 14 o 2.00135  0.160063  4.06456      0.640684 3.61257      0.908714 4.51131      0.903437 1.869    0.243101  2.09602  0.215513  
1 1 1 58 13 15 o 2.25032  0.140805  5.1242       0.633713 5.04325      0.91284  5.19951      0.880448 2.2176   0.205817  2.2545   0.195265  
1 1 1 58 13 16 o 0.969191 0.293058  1.00455      0.616134 0.968403     0.906972 1.03553      0.839612 0.9983   0.357344  1.00759  0.345435  
1 1 1 58 13 17 o 1.29719  0.250347  1.80751      0.626312 1.03144      0.907314 2.51392      0.865635 1.0139   0.357962  1.51835  0.295606  
1 1 1 58 13 18 o 3.028    0.126137  9.27806      0.763888 8.63204      1.09869  9.88257      1.0628   2.8994   0.189469  3.10991  0.170874  
1 1 1 58 13 19 o 0.810774 0.31398   0.511011     0.72686  1.09312      0.983392 -0.189962    1.07914  1.03974  0.372102  0.779209 0.345779  
1 1 1 58 13 20 o 2.05647  0.186145  4.35446      0.765601 5.16263      1.04769  3.42838      1.12152  2.22003  0.235963  1.74878  0.332652  
1 1 1 58 13 21 o 1.21348  0.305425  1.65532      0.741252 2.34115      1.06931  1.02089      1.02846  1.41701  0.372414  1.01709  0.378452  
1 1 1 58 13 22 o 0.783145 0.311259  0.455586     0.727673 1.46811      0.97566  -0.813665    1.09237  1.12872  0.372384  0.680174 0.318768  
1 1 1 58 13 23 o 1.20238  0.301345  1.663        0.723896 2.09779      0.977153 1.13412      1.07771  1.32311  0.35982   1.03161  0.3867    
1 1 1 58 13 24 o 0.77199  0.310518  0.440713     0.734662 0.909541     0.977212 -0.168705    1.11414  0.95067  0.364957  0.766925 0.345311  
1 1 1 58 13 25 o 2.43519  0.167211  6.18584      0.814379 5.21533      1.0589   7.59101      1.27415  2.18697  0.242093  2.6391   0.241399  
1 1 1 58 13 26 o 1.33384  0.298458  2.12519      0.776136 2.31625      1.0186   1.86071      1.19844  1.33739  0.369006  1.17337  0.411686  
1 1 1 58 13 27 o 0.572067 0.26716   -0.454112    0.75232  -1.34024     0.993499 0.737028     1.15186  0.56112  0.273488  0.897999 0.377571  
1 1 1 58 13 28 o 0.696904 0.306337  0.189898     0.822654 0.617579     1.13239  -0.288072    1.19712  0.841871 0.364693  0.720294 0.336625  
1 1 1 58 13 29 o 1.13267  0.357009  1.83217      0.901765 1.79262      1.30795  1.868        1.24496  1.05932  0.418473  1.08234  0.412965  
1 1 1 58 13 30 o 0.833595 0.355462  0.953944     1.04539  3.58154      1.59337  -1.03192     1.3852   1.28874  0.472409  0.647837 0.317234  
1 1 1 58 13 31 o 1.51597  0.369172  3.62247      1.11045  4.53225      1.66003  2.88568      1.4939   1.40827  0.485435  1.12627  0.446499  
1 1 1 58 13 32 o 0.555557 0.275271  -1.00842     1.14705  -0.486136    1.67225  -1.4725      1.57633  0.65907  0.327534  0.595782 0.299774  
1 1 1 58 14 0  o 9.40284  0.119149  88.6879      2.23987  88.6879      2.23987  88.6879      2.23987  9.41009  0.084171  ?        ?         
1 1 1 58 14 1  o 2.91347  0.106572  8.52409      0.620992 9.12107      0.900055 7.98172      0.857893 3.00756  0.149632  2.81301  0.152487  
1 1 1 58 14 2  o 3.98495  0.081185  15.919       0.647037 15.9495      0.896205 15.8858      0.935133 3.98421  0.11247   3.97536  0.117616  
1 1 1 58 14 3  o 4.94424  0.0737511 24.496       0.729286 24.4491      1.02881  24.5432      1.03394  4.9344   0.104248  4.94382  0.104569  
1 1 1 58 14 4  o 0.739365 0.259493  0.500457     0.47617  1.31458      0.651988 -0.430179    0.697083 1.10823  0.290588  0.585516 0.266975  
1 1 1 58 14 5  o 0.832501 0.258946  0.710407     0.476506 0.593181     0.647459 0.848934     0.703829 0.827662 0.301358  0.932043 0.316282  
1 1 1 58 14 6  o 4.28116  0.076354  18.3708      0.653766 17.95        0.91002  18.8197      0.939831 4.22696  0.107645  4.32797  0.108576  
1 1 1 58 14 7  o 4.09089  0.0795639 16.778       0.650975 16.5136      0.889971 17.0822      0.954664 4.0538   0.10977   4.12186  0.115805  
1 1 1 58 14 8  o 2.3255   0.112518  5.43683      0.523323 4.84881      0.676021 6.31616      0.826687 2.19094  0.154276  2.4987   0.165423  
1 1 1 58 14 9  o 1.25298  0.195917  1.59811      0.490958 1.77826      0.630148 1.31983      0.783177 1.29395  0.252506  1.11063  0.329317  
1 1 1 58 14 10 o 0.787301 0.271991  0.590702     0.521398 0.56387      0.729219 0.618768     0.745797 0.838832 0.317221  0.860988 0.321896  
1 1 1 58 14 11 o 2.79713  0.108356  7.87065      0.606172 6.74845      0.863259 8.96217      0.851378 2.57945  0.167334  2.97824  0.142933  
1 1 1 58 14 12 o 2.99827  0.102127  9.04065      0.61241  7.84142      0.865638 10.2423      0.86652  2.78193  0.155582  3.18431  0.136061  
1 1 1 58 14 13 o 1.82141  0.157538  3.36496      0.573885 4.13115      0.850058 2.72329      0.777922 2.00668  0.211807  1.62354  0.239576  
1 1 1 58 14 14 o 2.82237  0.115308  8.02904      0.650886 7.7002       0.94408  8.32696      0.898589 2.75077  0.171603  2.86462  0.156843  
1 1 1 58 14 15 o 2.68234  0.124863  7.26548      0.669848 7.75361      0.99184  6.85613      0.908283 2.75633  0.17992   2.59328  0.175123  
1 1 1 58 14 16 o 1.66231  0.192101  2.83225      0.638664 2.22914      0.921365 3.39005      0.886083 1.41577  0.330991  1.80477  0.245484  
1 1 1 58 14 17 o 1.96173  0.168671  3.92995      0.661773 4.05439      0.986427 3.82811      0.892398 1.9682   0.250591  1.91842  0.232587  
1 1 1 58 14 18 o 3.7068   0.11368   13.8754      0.842781 14.0171      1.17424  13.7248      1.21033  3.70872  0.158307  3.66687  0.165035  
1 1 1 58 14 19 o 1.55139  0.241754  2.52107      0.750109 2.44986      1.05135  2.59491      1.07054  1.46274  0.361083  1.5067   0.359718  
1 1 1 58 14 20 o 1.47943  0.240861  2.30064      0.712673 1.87839      1.02778  2.69168      0.98908  1.27461  0.377106  1.54351  0.330025  
1 1 1 58 14 21 o 2.43701  0.155839  6.08617      0.759561 6.03365      1.05366  6.143        1.09595  2.39841  0.219659  2.41633  0.226779  
1 1 1 58 14 22 o 0.818338 0.319287  0.56499      0.754555 0.234462     1.06851  0.893779     1.0657   0.830501 0.356919  0.972257 0.379426  
1 1 1 58 14 23 o 3.19264  0.131646  10.4154      0.8406   11.0039      1.12495  9.67136      1.2649   3.25641  0.172728  3.02755  0.208898  
1 1 1 58 14 24 o 0.928065 0.324263  0.9576       0.742841 1.62415      0.971519 0.0193943    1.15262  1.15161  0.371358  0.802747 0.356649  
1 1 1 58 14 25 o 1.98195  0.200381  4.19247      0.794291 3.58199      1.03314  5.07485      1.24209  1.76959  0.291917  2.10324  0.29528   
1 1 1 58 14 26 o 0.912725 0.328753  0.968882     0.768701 0.73115      1.0022   1.30861      1.19805  0.878768 0.35914   1.03129  0.402332  
1 1 1 58 14 27 o 0.574611 0.268883  -0.436742    0.766846 -0.245033    1.04147  -0.663753    1.13331  0.695436 0.320722  0.669186 0.316603  
1 1 1 58 14 28 o 0.820098 0.334285  0.742737     0.865998 0.879808     1.24306  0.613474     1.20714  0.889067 0.383575  0.840578 0.370278  
1 1 1 58 14 29 f 0.941967 0.373098  1.27         1.04223  0.799696     1.56858  1.64176      1.39459  0.886324 0.40315   1.00931  0.419375  
1 1 1 58 14 30 o 0.695996 0.319142  0.230004     1.01427  0.390586     1.45896  0.0798013    1.41102  0.771497 0.363056  0.735198 0.350387  
1 1 1 58 14 31 o 0.645262 0.31079   -0.38035     1.1865   -0.509374    1.67277  -0.249714    1.68319  0.707014 0.3469    0.725147 0.35389   
1 1 1 58 15 0  o 3.09172  0.151867  9.67092      0.933897 9.67092      0.933897 9.67092      0.933897 3.10083  0.106769  ?        ?         
1 1 1 58 15 1  o 2.43708  0.114999  5.97048      0.560524 5.94176      0.76248  6.00426      0.826826 2.42572  0.157166  2.43649  0.169676  
1 1 1 58 15 2  o 2.72652  0.103323  7.46542      0.563427 7.20541      0.752791 7.79657      0.84957  2.67377  0.140774  2.77935  0.152836  
1 1 1 58 15 3  o 2.33131  0.113986  5.46313      0.531473 6.13952      0.729999 4.70023      0.775275 2.46703  0.147951  2.15409  0.179954  
1 1 1 58 15 4  o 3.08766  0.0939367 9.5673       0.580089 9.91205      0.774351 9.1264       0.875708 3.13873  0.123354  3.00818  0.145555  
1 1 1 58 15 5  o 5.06071  0.0734921 25.6665      0.743844 25.6576      1.03667  25.6759      1.06794  5.05453  0.102548  5.05567  0.105618  
1 1 1 58 15 6  o 1.02572  0.237384  1.11835      0.477724 1.40409      0.64142  0.762404     0.715908 1.14368  0.281862  0.90281  0.318048  
1 1 1 58 15 7  o 4.46593  0.0777    19.999       0.694005 19.3545      0.961917 20.6987      1.00227  4.38745  0.109621  4.53706  0.110454  
1 1 1 58 15 8  o 1.50679  0.164518  2.30091      0.495788 2.40821      0.628841 2.12464      0.805973 1.53609  0.204689  1.40305  0.296396  
1 1 1 58 15 9  o 1.45749  0.173386  2.1564       0.505414 2.17739      0.641592 2.12206      0.820484 1.458    0.220024  1.40011  0.301626  
1 1 1 58 15 10 o 3.72724  0.0916304 13.9523      0.683056 12.0277      0.983632 15.7448      0.949259 3.45005  0.142553  3.9533   0.120059  
1 1 1 58 15 11 o 0.455038 0.219999  -0.949092    0.610842 -0.955467    0.809625 -0.940668    0.930694 0.557828 0.265653  0.615758 0.289827  
1 1 1 58 15 12 o 1.2121   0.263927  1.5834       0.622003 1.60611      0.796873 1.54797      0.995066 1.20963  0.323143  1.19276  0.374839  
1 1 1 58 15 13 o 4.54073  0.0832191 20.7035      0.75575  18.8056      1.07389  22.5658      1.06377  4.31659  0.124391  4.73248  0.11239   
1 1 1 58 15 14 o 3.7748   0.0982307 14.3351      0.741602 13.1351      1.02623  15.6468      1.07289  3.60119  0.142485  3.93252  0.136413  
1 1 1 58 15 15 f 3.78165  0.101784  14.3999      0.769825 14.5851      1.09352  14.218       1.08394  3.79275  0.144159  3.7445   0.144737  
1 1 1 58 15 16 o 1.48458  0.22082   2.28321      0.65565  2.75345      0.915689 1.78849      0.939217 1.58624  0.29957   1.25938  0.356686  
1 1 1 58 15 17 f 0.711213 0.295713  0.194182     0.694125 1.52544      0.972664 -1.18738     0.990872 1.17073  0.370982  0.606751 0.290226  
1 1 1 58 15 18 o 3.19678  0.12462   10.3433      0.796767 11.9821      1.16313  8.89434      1.09367  3.42314  0.169892  2.94292  0.185814  
1 1 1 58 15 19 o 1.20503  0.2901    1.61595      0.691792 1.66302      1.01394  1.57495      0.946247 1.20619  0.378242  1.17739  0.364638  
1 1 1 58 15 20 o 2.53537  0.144649  6.55682      0.733477 6.7022       1.03118  6.40795      1.04352  2.53938  0.203038  2.47953  0.210426  
1 1 1 58 15 21 o 1.11845  0.313121  1.43415      0.727909 0.453544     1.01333  2.47962      1.0463   0.862445 0.357862  1.44527  0.362331  
1 1 1 58 15 22 o 2.62996  0.156205  7.1246       0.821623 4.8713       1.09744  9.9984       1.23936  2.12158  0.258637  3.08647  0.200774  
1 1 1 58 15 23 o 0.784822 0.310232  0.504369     0.719261 1.14374      0.940313 -0.397277    1.11664  1.01029  0.363632  0.733564 0.335737  
1 1 1 58 15 24 o 1.12781  0.321951  1.52879      0.762282 1.81082      0.989632 1.11735      1.19532  1.19949  0.37319   1.01374  0.400181  
1 1 1 58 15 25 o 0.887648 0.32359   0.887461     0.746708 0.956797     0.978758 0.790907     1.155    0.932502 0.36368   0.91944  0.381819  
1 1 1 58 15 26 o 0.501039 0.242604  -0.992126    0.753556 -1.75354     0.983056 0.0927199    1.17341  0.521925 0.25769   0.790538 0.355246  
1 1 1 58 15 27 o 1.29241  0.334173  2.20151      0.869937 1.84788      1.24826  2.53546      1.21305  1.10611  0.41587   1.29329  0.414752  
1 1 1 58 15 28 o 0.837567 0.339322  0.820556     0.886176 1.06911      1.28699  0.596465     1.22201  0.919828 0.393386  0.834962 0.369562  
1 1 1 58 15 29 o 0.74413  0.333858  0.448601     1.03269  -0.200678    1.58952  0.922828     1.35845  0.749638 0.360734  0.848328 0.381666  
1 1 1 58 15 30 o 0.610946 0.294389  -0.504623    1.06742  -0.52808     1.59683  -0.485676    1.43519  0.699724 0.342165  0.680816 0.331164  
1 1 1 58 15 31 o 0.804457 0.363238  1.1606       1.24155  -0.0301996   1.83488  2.16621      1.68618  0.71726  0.353634  0.897833 0.411607  
1 1 1 58 16 0  o 2.31647  0.188381  5.50897      0.859478 5.50897      0.859478 5.50897      0.859478 2.33209  0.131251  ?        ?         
1 1 1 58 16 1  o 3.47283  0.0909577 12.1008      0.631761 11.2121      0.866605 13.1088      0.922944 3.33698  0.129849  3.60857  0.127882  
1 1 1 58 16 2  o 2.22461  0.127041  4.98147      0.565231 5.22777      0.733739 4.62196      0.886458 2.27425  0.161314  2.13094  0.207997  
1 1 1 58 16 3  o 2.67547  0.107892  7.1931       0.577326 6.88134      0.767097 7.60039      0.876774 2.61133  0.146879  2.74208  0.159874  
1 1 1 58 16 4  o 2.32117  0.114157  5.41851      0.529954 5.50102      0.711896 5.31595      0.793695 2.33353  0.152536  2.29058  0.173252  
1 1 1 58 16 5  o 2.94918  0.0906995 8.73071      0.534978 8.82694      0.730772 8.61957      0.785316 2.96063  0.123415  2.92376  0.134299  
1 1 1 58 16 6  o 1.50838  0.162264  2.30493      0.489513 2.10984      0.659261 2.54466      0.730806 1.43402  0.229865  1.57449  0.232077  
1 1 1 58 16 7  o 3.30272  0.0906542 10.9529      0.598811 11.9125      0.801308 9.73928      0.90115  3.43982  0.116475  3.10451  0.145136  
1 1 1 58 16 8  o 4.14317  0.0818112 17.2242      0.677916 18.4715      0.928248 15.7985      0.9924   4.28511  0.108311  3.95898  0.125335  
1 1 1 58 16 9  o 2.82527  0.127457  8.05074      0.720201 8.10822      0.992328 7.98676      1.0469   2.82448  0.175666  2.80026  0.186929  
1 1 1 58 16 10 o 2.39032  0.147224  5.78332      0.703827 4.77526      1.00572  6.75089      0.985315 2.15229  0.23364   2.57171  0.191568  
1 1 1 58 16 11 o 4.70839  0.0990594 22.2951      0.93282  22.4219      1.34006  22.176       1.2993   4.70751  0.142332  4.683    0.138725  
1 1 1 58 16 12 o 2.30309  0.158799  5.38441      0.731456 5.99502      1.0171   4.73032      1.05269  2.41649  0.21045   2.13627  0.246385  
1 1 1 58 16 13 o 0.979699 0.3203    1.0016       0.721823 1.58763      1.05881  0.492734     0.986632 1.20482  0.3876    0.891362 0.359304  
1 1 1 58 16 14 o 3.13882  0.139923  9.98066      0.878388 10.7578      1.20853  9.11031      1.27892  3.24255  0.186355  2.97277  0.215106  
1 1 1 58 16 15 o 3.13448  0.105494  9.90465      0.661339 9.52342      0.986238 10.2161      0.891475 3.05726  0.161295  3.17362  0.140451  
1 1 1 58 16 16 o 1.22991  0.273735  1.65452      0.655763 1.42702      0.952413 1.85959      0.90424  1.13869  0.367738  1.28409  0.344765  
1 1 1 58 16 17 o 1.57487  0.211383  2.56548      0.665804 2.35935      0.986717 2.73779      0.902135 1.44467  0.345627  1.58078  0.29629   
1 1 1 58 16 18 o 0.592725 0.266974  -0.253245    0.666588 0.271445     1.0136   -0.653109    0.884856 0.837691 0.353293  0.626284 0.291415  
1 1 1 58 16 19 f 1.18305  0.293209  1.56421      0.691144 2.85067      1.01192  0.439351     0.946235 1.58816  0.329606  0.85191  0.3487    
1 1 1 58 16 20 o 2.02222  0.185766  4.24001      0.751322 3.41686      1.04324  5.12698      1.08293  1.74165  0.310672  2.19419  0.246772  
1 1 1 58 16 21 o 1.38173  0.283903  2.15296      0.757626 1.79307      1.01374  2.6083       1.14028  1.22114  0.377264  1.46308  0.384598  
1 1 1 58 16 22 o 0.629401 0.280383  -0.136918    0.716943 -0.0319884   0.932913 -0.288285    1.12049  0.732731 0.323788  0.752774 0.341958  
1 1 1 58 16 23 o 3.28681  0.130752  11.075       0.859517 10.7709      1.14986  11.4601      1.29393  3.20723  0.179261  3.2934   0.196443  
1 1 1 58 16 24 o 1.00138  0.323836  1.20328      0.738399 2.02869      0.961014 0.0136784    1.1537   1.26291  0.361802  0.786971 0.352983  
1 1 1 58 16 25 o 1.07516  0.329847  1.44204      0.776763 1.24547      1.03966  1.69039      1.16863  1.00813  0.379435  1.12458  0.40532   
1 1 1 58 16 26 o 0.836411 0.341341  0.700677     0.904024 1.03961      1.29621  0.379677     1.26146  0.953389 0.400681  0.837426 0.372517  
1 1 1 58 16 27 o 0.649239 0.297714  -0.141013    0.882746 -0.752474    1.34424  0.322603     1.1705   0.697631 0.334737  0.78878  0.354611  
1 1 1 58 16 28 o 0.774526 0.331053  0.557984     0.910527 0.0756055    1.34912  0.96151      1.23393  0.774466 0.36016   0.887446 0.382511  
1 1 1 58 16 29 o 0.658834 0.308328  -0.0384839   1.00873  -0.400994    1.57159  0.21549      1.31545  0.716755 0.347984  0.739692 0.347225  
1 1 1 58 16 30 o 0.721533 0.337997  0.246488     1.22303  -0.544515    1.79965  0.925345     1.6672   0.723542 0.356405  0.827507 0.389031  
1 1 1 58 17 0  o 3.13187  0.142295  9.91552      0.887107 9.91552      0.887107 9.91552      0.887107 3.14044  0.100101  ?        ?         
1 1 1 58 17 1  o 2.18137  0.129216  4.796        0.563734 4.48954      0.774667 5.14098      0.821911 2.10207  0.184263  2.24972  0.18267   
1 1 1 58 17 2  o 4.67896  0.0803237 21.9609      0.751663 23.47        1.08901  20.5878      1.03879  4.82986  0.112737  4.52308  0.114832  
1 1 1 58 17 3  o 1.68078  0.161882  2.86177      0.544177 2.59271      0.720533 3.21899      0.830238 1.59022  0.226551  1.77035  0.234484  
1 1 1 58 17 4  o 1.41558  0.182675  2.03723      0.517181 1.6709       0.70046  2.4763       0.766849 1.24412  0.28713   1.55028  0.247327  
1 1 1 58 17 5  o 3.83871  0.0848128 14.789       0.651143 15.6399      0.911691 13.903       0.930303 3.94154  0.115652  3.7141   0.125239  
1 1 1 58 17 6  o 2.14486  0.123466  4.63601      0.529632 5.26026      0.682141 3.68848      0.840409 2.28062  0.149552  1.89706  0.221502  
1 1 1 58 17 7  o 1.60823  0.154643  2.61869      0.497402 3.31826      0.6268   1.42887      0.817432 1.80744  0.173394  1.14835  0.335219  
1 1 1 58 17 8  o 1.67737  0.215615  2.88526      0.723334 2.45987      0.95285  3.46379      1.11121  1.49855  0.326974  1.78708  0.322714  
1 1 1 58 17 9  o 2.93703  0.133541  8.71408      0.784427 10.2661      1.05291  6.77812      1.17596  3.17914  0.165596  2.56508  0.229225  
1 1 1 58 17 10 o 1.98146  0.179808  4.0005       0.712566 4.24679      0.982779 3.72751      1.03466  2.02613  0.242526  1.8896   0.273779  
1 1 1 58 17 11 o 2.5156   0.154644  6.41973      0.778041 6.78774      1.09917  6.05019      1.10146  2.56985  0.213859  2.42195  0.227392  
1 1 1 58 17 12 f 1.98336  0.197673  4.03063      0.784114 3.90427      1.03574  4.20028      1.20015  1.93222  0.268018  1.99273  0.301131  
1 1 1 58 17 13 o 0.81531  0.326995  0.4146       0.811361 0.212543     1.11467  0.642293     1.18327  0.868801 0.368648  0.976597 0.393558  
1 1 1 58 17 14 o 1.35413  0.314927  2.03502      0.837549 2.25754      1.18449  1.81251      1.18446  1.39992  0.401874  1.2689   0.410128  
1 1 1 58 17 15 o 1.64274  0.252734  2.82838      0.830349 3.10919      1.18115  2.55401      1.16755  1.65436  0.366685  1.48829  0.388222  
1 1 1 58 17 16 o 2.97688  0.148146  9.01099      0.882025 8.43569      1.27308  9.54207      1.22316  2.85035  0.223319  3.04217  0.201035  
1 1 1 58 17 17 f 1.20438  0.251452  1.5785       0.585928 1.76725      0.855152 1.41148      0.804426 1.24879  0.335271  1.12292  0.333918  
1 1 1 58 17 18 o 1.87383  0.173703  3.60489      0.650979 4.30934      0.953973 2.991        0.890543 2.02673  0.235347  1.67787  0.265379  
1 1 1 58 17 19 o 1.04111  0.320311  1.21937      0.731795 0.801207     0.971494 1.76785      1.11264  0.940432 0.36324   1.22615  0.397616  
1 1 1 58 17 20 o 1.87617  0.195943  3.67721      0.735241 3.56517      0.956156 3.83931      1.15007  1.81633  0.263211  1.85858  0.309395  
1 1 1 58 17 21 o 0.956493 0.322632  1.01639      0.732373 0.244607     0.963289 2.07361      1.12744  0.797426 0.340665  1.295    0.397407  
1 1 1 58 17 22 o 0.895344 0.315969  0.867326     0.706857 0.0617275    0.916751 2.04846      1.11005  0.740883 0.324538  1.27602  0.39489   
1 1 1 58 17 23 o 0.983079 0.327059  1.13712      0.75261  1.90739      1.00294  0.144305     1.13863  1.22529  0.37458   0.810309 0.357936  
1 1 1 58 17 24 o 2.02821  0.193079  4.39664      0.78321  4.68613      1.04302  4.02238      1.18594  2.04583  0.254915  1.80749  0.340541  
1 1 1 58 17 25 o 1.44557  0.304154  2.53516      0.851624 2.68566      1.21653  2.39053      1.19259  1.38419  0.410438  1.3027   0.410553  
1 1 1 58 17 26 o 1.41073  0.325017  2.5736       0.898762 2.92371      1.30156  2.2545       1.24258  1.37375  0.428097  1.20699  0.419606  
1 1 1 58 17 27 o 0.702342 0.313503  0.166204     0.900347 -0.695663    1.32481  0.905916     1.22734  0.694971 0.333182  0.886853 0.381863  
1 1 1 58 17 28 o 1.1155   0.36595   1.97578      0.942241 2.15305      1.41639  1.83505      1.26199  1.05165  0.4279    1.01084  0.406819  
1 1 1 58 17 29 o 0.729566 0.331775  0.466738     1.06106  1.641        1.47537  -0.791329    1.52711  0.910906 0.404253  0.671025 0.32995   
1 1 1 58 17 30 o 1.15971  0.427656  3.00704      1.30745  2.48419      2.17007  3.30498      1.63816  0.902279 0.431086  1.08666  0.453207  
1 1 1 58 18 0  o 1.0262   0.415187  1.51016      0.829245 1.51016      0.829245 1.51016      0.829245 1.11401  0.304876  ?        ?         
1 1 1 58 18 1  o 2.04814  0.136419  4.2343       0.558812 3.72171      0.798163 4.72712      0.782624 1.90826  0.209134  2.15638  0.181467  
1 1 1 58 18 2  o 2.85531  0.0985095 8.19281      0.56255  8.39965      0.789247 7.97921      0.802038 2.8846   0.136804  2.81032  0.142695  
1 1 1 58 18 3  o 1.8253   0.146691  3.36816      0.535511 3.09179      0.737767 3.67592      0.778531 1.73856  0.212178  1.89707  0.205193  
1 1 1 58 18 4  o 0.642845 0.255761  0.2395       0.491779 0.554093     0.706483 -0.0562317   0.684978 0.828044 0.312503  0.652682 0.283201  
1 1 1 58 18 5  o 5.54267  0.0811032 30.8283      0.899057 32.3922      1.33318  29.5238      1.21758  5.67063  0.117552  5.41543  0.112418  
1 1 1 58 18 6  o 4.12953  0.0852954 17.1211      0.70446  16.9208      0.963517 17.3512      1.03258  4.09791  0.117562  4.14781  0.124473  
1 1 1 58 18 7  o 0.942884 0.323568  0.883955     0.736833 0.108248     1.0133   1.75438      1.07338  0.819782 0.34978   1.2618   0.387873  
1 1 1 58 18 8  o 1.63857  0.224823  2.76365      0.736777 2.01733      1.01806  3.5844       1.06762  1.34505  0.367938  1.84897  0.288708  
1 1 1 58 18 9  o 5.36985  0.0967278 28.9953      1.03883  28.64        1.46626  29.3535      1.472    5.32172  0.137762  5.3881   0.136597  
1 1 1 58 18 10 o 1.45891  0.26193   2.27776      0.736508 1.31707      1.03824  3.25089      1.04495  1.12338  0.384141  1.72852  0.313836  
1 1 1 58 18 11 o 2.86961  0.144846  8.34498      0.831302 9.8365       1.20925  7.00847      1.14469  3.09857  0.19513   2.60721  0.219523  
1 1 1 58 18 12 o 3.07635  0.135629  9.58123      0.834484 9.34673      1.18585  9.81127      1.17451  3.01821  0.196449  3.09494  0.189747  
1 1 1 58 18 13 o 0.48571  0.235473  -1.13518     0.715082 -1.99395     1.07582  -0.455477    0.95711  0.564847 0.277483  0.691182 0.31453   
1 1 1 58 18 14 o 0.69504  0.298959  0.0315636    0.75078  -0.778724    1.1654   0.60644      0.981621 0.725189 0.336279  0.910467 0.361624  
1 1 1 58 18 15 o 2.73642  0.150524  7.61794      0.823794 8.23965      1.15473  6.97357      1.17559  2.8256   0.204334  2.5901   0.22694   
1 1 1 58 18 16 o 2.75305  0.152153  7.72518      0.83777  7.14289      1.21233  8.2574       1.15903  2.61494  0.231809  2.82465  0.205164  
1 1 1 58 18 17 f 1.31224  0.308744  1.93199      0.797681 2.72124      1.16419  1.23357      1.09515  1.52632  0.381925  1.08599  0.392277  
1 1 1 58 18 18 o 2.16357  0.177045  4.82676      0.7661   4.85347      1.07773  4.79948      1.08922  2.13697  0.252162  2.12286  0.256546  
1 1 1 58 18 19 o 3.22537  0.133137  10.6119      0.858831 10.6064      1.17689  10.6182      1.25612  3.19566  0.184139  3.18891  0.196951  
1 1 1 58 18 20 o 1.57986  0.226353  2.65352      0.715212 2.6207       0.936329 2.6995       1.10817  1.50424  0.32072   1.49427  0.371847  
1 1 1 58 18 21 o 1.19573  0.294654  1.65056      0.701026 1.58991      0.925274 1.73228      1.07409  1.14954  0.361495  1.18858  0.390716  
1 1 1 58 18 22 o 1.13464  0.308992  1.52676      0.719977 0.347622     0.9216   3.37349      1.15335  0.794446 0.336055  1.66086  0.357452  
1 1 1 58 18 23 o 0.759054 0.316674  0.384368     0.8002   -0.0743285   1.09434  0.911435     1.17306  0.754379 0.340803  0.949823 0.388427  
1 1 1 58 18 24 o 1.59091  0.260543  2.861        0.829001 2.48929      1.17374  3.231        1.17103  1.347    0.403921  1.57277  0.376686  
1 1 1 58 18 25 f 2.05587  0.224663  4.71622      0.923755 3.33425      1.3723   5.86126      1.24914  1.48859  0.434274  2.2286   0.280252  
1 1 1 58 18 26 o 0.534101 0.260099  -1.07907     0.891667 -1.58111     1.26413  -0.581955    1.25791  0.607106 0.299056  0.69325  0.330499  
1 1 1 58 18 27 o 0.883182 0.345535  1.03005      0.884965 1.21259      1.26208  0.853496     1.24124  0.933069 0.393906  0.868893 0.379143  
1 1 1 58 18 28 o 0.806217 0.347831  0.868718     1.02218  1.46991      1.41631  0.215105     1.47676  0.909219 0.400727  0.758766 0.360126  
1 1 1 58 18 29 o 0.967202 0.39713   1.79427      1.23115  2.17142      1.83894  1.4879       1.6574   0.958424 0.436097  0.890091 0.408067  
1 1 1 58 18 30 o 0.652743 0.312378  0.142043     1.15145  0.654086     1.69342  -0.298267    1.57033  0.726573 0.354654  0.656879 0.32465   
1 1 1 58 19 0  o 1.68372  0.253301  3.06169      0.794909 3.06169      0.794909 3.06169      0.794909 1.71975  0.167039  ?        ?         
1 1 1 58 19 1  o 2.14199  0.134195  4.63266      0.57489  5.2671       0.813974 4.0012       0.812063 2.27542  0.178862  1.97789  0.205285  
1 1 1 58 19 2  o 2.26389  0.122534  5.16709      0.554806 6.36121      0.791831 4.01553      0.777592 2.50512  0.158043  1.98317  0.196047  
1 1 1 58 19 3  o 3.3912   0.0900337 11.5518      0.610645 12.1813      0.863821 10.923       0.863344 3.4753   0.12428   3.2893   0.131235  
1 1 1 58 19 4  o 1.12772  0.231461  1.35503      0.504102 0.968657     0.696038 1.78126      0.731068 0.966716 0.314527  1.28033  0.291882  
1 1 1 58 19 5  o 1.89625  0.134689  3.63313      0.510806 3.49313      0.69651  3.79606      0.751383 1.85023  0.188222  1.9274   0.194922  
1 1 1 58 19 6  o 2.5519   0.135795  6.58198      0.69307  6.32333      0.9786   6.84228      0.981706 2.48674  0.196763  2.58881  0.189605  
1 1 1 58 19 7  o 4.20794  0.101983  17.8155      0.858274 16.6241      1.21183  19.0147      1.21575  4.05058  0.149587  4.33547  0.14021   
1 1 1 58 19 8  o 0.95878  0.312504  0.955096     0.687115 1.95887      1.03565  0.165822     0.918348 1.32312  0.374487  0.795931 0.336011  
1 1 1 58 19 9  o 2.80109  0.137296  7.93832      0.769156 7.56047      1.12882  8.26578      1.05086  2.71286  0.20805   2.84459  0.184712  
1 1 1 58 19 10 o 1.78881  0.202818  3.28548      0.725608 3.06873      1.10027  3.45231      0.965261 1.66352  0.342432  1.81656  0.265683  
1 1 1 58 19 11 o 4.88902  0.101494  24.0718      0.99241  23.116       1.44905  24.9161      1.36195  4.77024  0.151884  4.95958  0.137305  
1 1 1 58 19 12 o 0.650915 0.283826  -0.0572026   0.694562 -0.428365    1.01664  0.267674     0.951143 0.718589 0.326243  0.823452 0.344506  
1 1 1 58 19 13 o 1.29899  0.281245  1.8492       0.71004  0.338412     1.03827  3.17651      0.973182 0.865767 0.360926  1.73148  0.281025  
1 1 1 58 19 14 f 2.27268  0.172375  5.28262      0.783504 6.25366      1.17818  4.51269      1.0491   2.44693  0.240747  2.07404  0.252912  
1 1 1 58 19 15 o 1.27522  0.299031  1.80822      0.750248 2.14158      1.11     1.52784      1.01799  1.35825  0.388746  1.16859  0.380375  
1 1 1 58 19 16 o 1.64786  0.238819  2.85172      0.787082 1.18953      1.19992  4.107        1.04276  1.08924  0.40809   1.96666  0.265109  
1 1 1 58 19 17 o 2.98472  0.142354  9.08311      0.84977  7.89979      1.1814   10.3516      1.2232   2.75018  0.214786  3.16087  0.193491  
1 1 1 58 19 18 o 1.37664  0.30149   2.15079      0.807342 1.88131      1.12181  2.44032      1.1628   1.2514   0.398602  1.41717  0.395431  
1 1 1 58 19 19 o 0.825334 0.313506  0.627326     0.71487  1.4982       0.969162 -0.411936    1.05872  1.12836  0.371141  0.717697 0.327824  
1 1 1 58 19 20 o 0.876668 0.315737  0.798321     0.709022 1.38188      0.966958 0.119707     1.04274  1.08625  0.370719  0.795267 0.347258  
1 1 1 58 19 21 o 2.10221  0.187049  4.64516      0.78643  3.13399      1.05841  6.50781      1.17507  1.6206   0.337661  2.45055  0.239757  
1 1 1 58 19 22 o 1.63507  0.261528  2.97881      0.855233 2.70031      1.20841  3.25831      1.21056  1.42647  0.40477   1.59333  0.383863  
1 1 1 58 19 23 o 1.01367  0.341021  1.27016      0.81824  1.114        1.12247  1.44724      1.19529  0.98285  0.387855  1.06548  0.405194  
1 1 1 58 19 24 o 0.531611 0.25688   -0.981317    0.82846  -1.80975     1.22729  -0.287828    1.1229   0.596471 0.293804  0.717886 0.331816  
1 1 1 58 19 25 o 1.47738  0.327881  2.83622      0.943275 3.07059      1.35882  2.61822      1.31048  1.3892   0.438306  1.28258  0.431575  
1 1 1 58 19 26 o 0.863003 0.349283  0.912862     0.937681 0.82663      1.26739  1.01715      1.39377  0.875668 0.382599  0.916103 0.400735  
1 1 1 58 19 27 o 0.614042 0.289758  -0.322998    0.941808 -0.573969    1.30211  -0.0476578   1.36387  0.670164 0.323469  0.731756 0.34673   
1 1 1 58 19 28 o 0.812823 0.356278  0.9579       1.10628  -1.29415     1.58755  3.0838       1.54245  0.648148 0.321697  1.14258  0.453466  
1 1 1 58 19 29 o 0.729973 0.337377  0.550075     1.16056  1.11529      1.8294   0.169395     1.50135  0.810064 0.389125  0.717505 0.346552  
1 1 1 58 20 0  o 4.6678   0.113844  21.9084      1.06137  21.9084      1.06137  21.9084      1.06137  4.67422  0.0803347 ?        ?         
1 1 1 58 20 1  o 4.35337  0.0830612 19.0274      0.723193 18.7501      1.00573  19.3243      1.04066  4.31319  0.116588  4.37807  0.118849  
1 1 1 58 20 2  f 1.52818  0.181369  2.37984      0.554328 3.67596      0.784807 1.08944      0.783072 1.8938   0.207204  1.02121  0.333612  
1 1 1 58 20 3  o 2.56208  0.110657  6.61115      0.567027 7.54903      0.786245 5.59468      0.818522 2.73107  0.143945  2.34453  0.17456   
1 1 1 58 20 4  o 6.34659  0.0818137 40.4379      1.03848  41.1717      1.49606  39.7555      1.44265  6.39079  0.117048  6.28085  0.114845  
1 1 1 58 20 5  o 1.03669  0.227639  1.14907      0.459143 1.18974      0.618474 1.09913      0.68531  1.04777  0.286851  1.01366  0.309586  
1 1 1 58 20 6  o 2.42245  0.14102   5.93916      0.683229 6.10076      1.02102  5.80811      0.919409 2.43751  0.20944   2.38305  0.192905  
1 1 1 58 20 7  o 2.60184  0.135967  6.8473       0.707528 7.80402      1.05012  6.05195      0.957474 2.76242  0.190073  2.43066  0.196958  
1 1 1 58 20 8  o 0.834455 0.311241  0.59861      0.696428 0.774463     1.0235   0.446994     0.950357 0.969004 0.373134  0.868621 0.351604  
1 1 1 58 20 9  o 3.07173  0.1319    9.54507      0.810323 9.36698      1.15551  9.71739      1.13666  3.02388  0.191065  3.08244  0.184377  
1 1 1 58 20 10 o 3.90783  0.108921  15.3992      0.851292 15.6764      1.25814  15.1652      1.15614  3.92391  0.160317  3.86385  0.149609  
1 1 1 58 20 11 o 3.43596  0.131786  11.9588      0.905626 12.1294      1.33173  11.812       1.23521  3.43509  0.193842  3.39535  0.181897  
1 1 1 58 20 12 o 1.00084  0.319305  1.07703      0.719658 0.102674     1.07692  1.86323      0.967369 0.830627 0.357677  1.28179  0.361658  
1 1 1 58 20 13 o 0.921732 0.324282  0.84647      0.744023 1.41343      1.1075   0.380118     1.00444  1.14609  0.396363  0.863723 0.357211  
1 1 1 58 20 14 o 1.44968  0.278601  2.29806      0.778944 2.38952      1.15951  2.22283      1.05157  1.43101  0.393205  1.38828  0.371365  
1 1 1 58 20 15 o 3.02815  0.138894  9.32524      0.841183 10.1126      1.23275  8.6392       1.15071  3.12705  0.19711   2.8893   0.199133  
1 1 1 58 20 16 o 2.37148  0.17164   5.78186      0.814082 4.62608      1.20097  6.76437      1.1073   2.06956  0.290151  2.54417  0.217615  
1 1 1 58 20 17 o 3.64934  0.125056  13.5437      0.912747 12.1597      1.295    14.9099      1.28667  3.42117  0.189263  3.80269  0.169179  
1 1 1 58 20 18 o 0.544031 0.2567    -0.711289    0.738882 -0.769616    0.984195 -0.635953    1.11852  0.640998 0.300796  0.708195 0.3288    
1 1 1 58 20 19 o 1.2163   0.31159   1.71974      0.761361 1.28868      1.05056  2.19659      1.10495  1.06611  0.384294  1.33388  0.389856  
1 1 1 58 20 20 o 1.63676  0.237695  2.89164      0.778099 3.32863      1.06938  2.4          1.13428  1.68189  0.329664  1.37887  0.392444  
1 1 1 58 20 21 f 1.91282  0.218661  3.93815      0.836517 3.89552      1.2056   3.97773      1.16165  1.78917  0.34938   1.82495  0.330405  
1 1 1 58 20 22 o 2.10775  0.204267  4.78256      0.861086 4.64482      1.21921  4.91964      1.21631  1.99095  0.306189  2.05959  0.29528   
1 1 1 58 20 23 o 1.42202  0.304002  2.4452       0.839356 2.28766      1.15416  2.62205      1.22288  1.28664  0.403565  1.37035  0.412565  
1 1 1 58 20 24 o 1.81047  0.261963  3.81361      0.948551 3.13981      1.39783  4.3887       1.29139  1.41512  0.44418   1.81014  0.369495  
1 1 1 58 20 25 o 0.907207 0.354469  1.07658      0.93069  0.0403401    1.28304  2.22729      1.35205  0.768729 0.355077  1.15739  0.433274  
1 1 1 58 20 26 o 1.01163  0.363349  1.52484      0.938416 1.43354      1.26502  1.63657      1.39937  0.966535 0.400373  0.999507 0.417996  
1 1 1 58 20 27 o 0.671574 0.30971   0.113951     0.97111  -0.15537     1.33078  0.420721     1.4203   0.702257 0.336013  0.771567 0.361937  
1 1 1 58 20 28 o 1.06654  0.383573  2.04306      1.04609  2.95958      1.53446  1.24722      1.42987  1.1257   0.450434  0.86124  0.389294  
1 1 1 58 20 29 o 1.0733   0.402899  2.65098      1.17071  3.01098      1.71804  2.33891      1.59957  0.945652 0.427126  0.886958 0.40442   
1 1 1 58 21 0  o 4.6405   0.116007  21.6615      1.07514  21.6615      1.07514  21.6615      1.07514  4.64734  0.0818499 ?        ?         
1 1 1 58 21 1  o 3.63576  0.0916318 13.2856      0.666302 13.2955      0.931875 13.2753      0.953068 3.62822  0.12842   3.62461  0.131472  
1 1 1 58 21 2  o 1.02884  0.259121  1.14337      0.533273 0.668262     0.723828 1.70739      0.788661 0.865782 0.318302  1.24576  0.315939  
1 1 1 58 21 3  f 3.44113  0.0928675 11.9038      0.639138 13.1705      0.885191 10.5241      0.923801 3.61247  0.122519  3.22378  0.143279  
1 1 1 58 21 4  o 3.52992  0.0861805 12.5175      0.60842  12.4627      0.822331 12.5839      0.904383 3.51527  0.116966  3.52934  0.128124  
1 1 1 58 21 5  o 0.922122 0.301909  0.878699     0.641312 0.869591     0.941822 0.886573     0.87569  0.977142 0.362445  0.968071 0.350668  
1 1 1 58 21 6  o 1.98297  0.167614  4.00345      0.664748 4.87409      0.981321 3.26515      0.903664 2.17203  0.2259    1.76989  0.255288  
1 1 1 58 21 7  o 0.52009  0.245456  -0.727392    0.676267 -1.86176     0.997296 0.238221     0.920129 0.545293 0.267648  0.809811 0.338823  
1 1 1 58 21 8  o 4.49705  0.116766  20.415       1.05021  18.9517      1.55098  21.654       1.42716  4.30514  0.180131  4.61525  0.154614  
1 1 1 58 21 9  o 4.13926  0.111752  17.2905      0.925141 15.4807      1.3073   19.1061      1.30939  3.89464  0.167834  4.33505  0.151024  
1 1 1 58 21 10 o 2.7992   0.138872  7.94886      0.777459 8.58484      1.14109  7.39784      1.06213  2.88809  0.197551  2.68079  0.198101  
1 1 1 58 21 11 o 1.24805  0.308292  1.73157      0.766007 2.26856      1.15048  1.30394      1.02666  1.4014   0.39408   1.10695  0.381739  
1 1 1 58 21 12 o 0.880246 0.325455  0.708537     0.75817  -0.573148    1.13545  1.73978      1.01849  0.741066 0.338913  1.23923  0.377201  
1 1 1 58 21 13 o 3.21631  0.130816  10.4934      0.841489 9.99783      1.19363  10.983       1.18649  3.11436  0.191634  3.26925  0.181462  
1 1 1 58 21 14 o 2.20206  0.184729  4.99467      0.813568 4.68344      1.15111  5.30531      1.15001  2.09566  0.27464   2.23924  0.256786  
1 1 1 58 21 15 o 0.853448 0.326679  0.630088     0.781108 -0.209824    1.15529  1.33736      1.06014  0.792718 0.35445   1.10477  0.387244  
1 1 1 58 21 16 o 2.1737   0.181717  4.89279      0.789996 4.18652      1.14866  5.52671      1.08824  1.95751  0.293397  2.28218  0.23842   
1 1 1 58 21 17 o 1.00546  0.33441   1.13651      0.786819 0.57389      1.14188  1.64513      1.0857   0.916074 0.379986  1.17561  0.392822  
1 1 1 58 21 18 o 0.555322 0.261696  -0.704012    0.763235 -0.428368    1.13853  -0.92899     1.02858  0.740519 0.338958  0.636823 0.301446  
1 1 1 58 21 19 o 1.17243  0.326244  1.62878      0.792564 1.9405       1.14913  1.34595      1.09457  1.24299  0.404134  1.07696  0.39186   
1 1 1 58 21 20 o 2.79024  0.159357  8.09172      0.889287 9.15288      1.27716  7.09304      1.23899  2.91897  0.218768  2.54908  0.243028  
1 1 1 58 21 21 o 1.2768   0.320766  1.99411      0.818725 2.23681      1.21306  1.79105      1.10956  1.27883  0.41522   1.16406  0.397115  
1 1 1 58 21 22 o 0.871201 0.333242  0.82315      0.812349 0.0818618    1.18349  1.48356      1.11706  0.794996 0.357024  1.07033  0.395182  
1 1 1 58 21 23 o 0.512202 0.251013  -1.31984     0.871373 -1.07681     1.22453  -1.56915     1.24023  0.652603 0.31467   0.614908 0.30089   
1 1 1 58 21 24 o 1.04064  0.361797  1.52481      0.923793 0.395765     1.2945   2.69648      1.31871  0.823029 0.371302  1.29137  0.432929  
1 1 1 58 21 25 o 2.0329   0.24305   4.82799      0.988193 3.38045      1.3285   6.62093      1.47854  1.4504   0.428623  2.25248  0.328201  
1 1 1 58 21 26 o 1.47935  0.34311   3.1806       0.996313 5.02658      1.42742  1.42695      1.39127  1.75188  0.413542  0.918059 0.400993  
1 1 1 58 21 27 o 0.646027 0.302225  -0.0205767   0.968049 -0.502718    1.38903  0.434757     1.34986  0.67282  0.326809  0.757092 0.354733  
1 1 1 58 21 28 o 0.804876 0.35333   1.09416      1.09144  2.57741      1.61325  -0.157767    1.48212  0.972354 0.428192  0.684552 0.333718  
1 1 1 58 22 0  o 2.67392  0.162328  7.28769      0.860776 7.28769      0.860776 7.28769      0.860776 2.68685  0.11373   ?        ?         
1 1 1 58 22 1  o 3.92098  0.0888738 15.4518      0.696945 15.5895      0.956402 15.2958      1.01771  3.92964  0.121691  3.88959  0.130825  
1 1 1 58 22 2  o 1.05907  0.25715   1.214        0.539998 1.76448      0.753694 0.633375     0.774058 1.26772  0.301297  0.866649 0.327097  
1 1 1 58 22 3  o 2.15849  0.128643  4.70928      0.555347 4.97459      0.749671 4.38661      0.826731 2.20966  0.169635  2.06754  0.199931  
1 1 1 58 22 4  o 2.42274  0.106671  5.91387      0.516873 5.42513      0.701785 6.49331      0.764127 2.31157  0.151798  2.52911  0.151066  
1 1 1 58 22 5  o 1.49625  0.220114  2.31223      0.658689 3.31529      0.969305 1.45161      0.897847 1.77653  0.272808  1.14907  0.355054  
1 1 1 58 22 6  o 1.13633  0.292584  1.41907      0.66879  2.18449      0.974835 0.738476     0.919235 1.39327  0.350005  0.931378 0.355003  
1 1 1 58 22 7  o 1.18205  0.293963  1.54091      0.692906 0.779316     0.998375 2.24867      0.962447 0.958863 0.368672  1.4138   0.343319  
1 1 1 58 22 8  o 3.30662  0.122705  11.0569      0.811479 10.839       1.15852  11.2668      1.13699  3.25402  0.178014  3.32049  0.171208  
1 1 1 58 22 9  o 2.12162  0.176537  4.60722      0.749085 4.96854      1.06009  4.24688      1.05865  2.18087  0.243042  2.00876  0.263507  
1 1 1 58 22 10 o 1.50929  0.241952  2.37982      0.73035  2.54895      1.04542  2.21857      1.02076  1.49957  0.353858  1.39508  0.362577  
1 1 1 58 22 11 o 1.75725  0.21908   3.20436      0.769957 3.54518      1.14073  2.91916      1.04352  1.78481  0.331969  1.61458  0.33443   
1 1 1 58 22 12 f 3.40418  0.126547  11.7483      0.861579 9.89948      1.2227   13.5718      1.21426  3.09492  0.197533  3.64078  0.166759  
1 1 1 58 22 13 o 0.749505 0.30759   0.292385     0.738205 0.698323     1.07009  -0.0762158   1.01969  0.946452 0.377049  0.772527 0.340309  
1 1 1 58 22 14 o 0.572807 0.268508  -0.66769     0.776595 -0.377975    1.13362  -0.923889    1.06603  0.759443 0.344713  0.661184 0.31091   
1 1 1 58 22 15 o 3.49889  0.132326  12.4728      0.925987 12.6615      1.27334  12.261       1.34903  3.4965   0.182087  3.43099  0.196595  
1 1 1 58 22 16 o 0.786624 0.3175    0.434129     0.771824 1.37304      1.13081  -0.384767    1.05607  1.10246  0.398573  0.722128 0.329087  
1 1 1 58 22 17 o 1.69631  0.238193  3.08093      0.8081   2.27518      1.17807  3.79699      1.11057  1.35143  0.404546  1.84728  0.300596  
1 1 1 58 22 18 o 1.40628  0.284346  2.2491       0.771772 1.7121       1.13078  2.71737      1.05596  1.18035  0.400896  1.50016  0.356689  
1 1 1 58 22 19 o 0.841339 0.324328  0.680137     0.773707 0.679595     1.13725  0.680603     1.05568  0.914948 0.379347  0.899142 0.36822   
1 1 1 58 22 20 o 0.911359 0.338762  0.92043      0.82363  0.865228     1.1511   0.97834      1.17898  0.940862 0.384769  0.968426 0.391777  
1 1 1 58 22 21 o 1.44151  0.300631  2.48822      0.838315 0.881383     1.19216  4.05996      1.17906  0.940083 0.388998  1.81726  0.337049  
1 1 1 58 22 22 o 0.75577  0.321559  0.366176     0.852118 0.162093     1.20171  0.572563     1.20847  0.801132 0.359771  0.869137 0.376628  
1 1 1 58 22 23 o 0.70632  0.31527   0.119779     0.910466 -0.340362    1.2725   0.602415     1.30323  0.730765 0.342759  0.862535 0.381721  
1 1 1 58 22 24 o 0.79181  0.335234  0.601528     0.918428 -0.616939    1.28852  1.8599       1.30944  0.694715 0.331979  1.07602  0.420449  
1 1 1 58 22 25 o 0.666784 0.305502  0.0181227    0.927363 -0.438584    1.26998  0.539828     1.35735  0.6878   0.328892  0.81317  0.371331  
1 1 1 58 22 26 o 0.693473 0.316341  0.268806     0.981092 -0.00841816  1.44102  0.508338     1.33948  0.72712  0.348328  0.769647 0.358286  
1 1 1 58 22 27 o 1.21629  0.382428  2.56228      1.03559  2.99217      1.5693   2.23068      1.3783   1.10966  0.450774  1.01617  0.41921   
1 1 1 58 23 0  o 2.02952  0.210666  4.31075      0.834006 4.31075      0.834006 4.31075      0.834006 2.05371  0.145246  ?        ?         
1 1 1 58 23 1  o 2.48844  0.120847  6.25511      0.601442 6.39873      0.818654 6.08669      0.886531 2.50649  0.163307  2.43934  0.181715  
1 1 1 58 23 2  o 0.616517 0.259819  0.0817012    0.54752  -0.335888    0.730819 0.61595      0.826623 0.612094 0.277408  0.872937 0.335503  
1 1 1 58 23 3  o 0.571858 0.247813  -0.0350211   0.523216 -0.0928704   0.69487  0.0407196    0.795095 0.644128 0.282349  0.716899 0.307984  
1 1 1 58 23 4  o 0.690532 0.27215   0.318691     0.551994 0.382465     0.701941 0.215344     0.893571 0.766754 0.305404  0.792658 0.332883  
1 1 1 58 23 5  o 2.0666   0.166454  4.35894      0.687986 2.9589       0.977512 5.73319      0.968468 1.64093  0.30918   2.3578   0.205375  
1 1 1 58 23 6  o 1.3432   0.268512  1.95911      0.695832 2.60046      1.03096  1.42251      0.943019 1.51944  0.34677   1.1371   0.36579   
1 1 1 58 23 7  o 3.26183  0.119952  10.7551      0.782524 10.2268      1.13765  11.2296      1.07806  3.15947  0.180039  3.31814  0.16245   
1 1 1 58 23 8  o 3.10281  0.126085  9.74404      0.782437 9.3801       1.09437  10.1246      1.11911  3.02517  0.180878  3.14416  0.177966  
1 1 1 58 23 9  o 2.07586  0.181825  4.41884      0.754888 5.70642      1.08014  3.1895       1.05543  2.34128  0.230673  1.69674  0.322656  
1 1 1 58 23 10 f 2.71299  0.143169  7.48397      0.776833 7.47018      1.12639  7.49647      1.07279  2.68525  0.209736  2.69462  0.199061  
1 1 1 58 23 11 o 1.56588  0.245558  2.58137      0.769026 2.20245      1.12125  2.91796      1.05675  1.37176  0.390109  1.60449  0.339714  
1 1 1 58 23 12 o 2.22096  0.177407  5.06993      0.788024 5.61306      1.15511  4.5971       1.07777  2.30589  0.25047   2.08314  0.258689  
1 1 1 58 23 13 o 3.23907  0.134226  10.677       0.869532 11.333       1.23004  10.0218      1.22937  3.31112  0.185744  3.10689  0.197846  
1 1 1 58 23 14 o 2.47254  0.166386  6.29731      0.822793 5.31941      1.18798  7.19888      1.14067  2.22167  0.267362  2.61634  0.217991  
1 1 1 58 23 15 o 2.62579  0.153116  7.08575      0.8041   6.24131      1.12556  7.96595      1.14915  2.42232  0.23233   2.75253  0.208744  
1 1 1 58 23 16 o 3.01853  0.154247  9.38128      0.931198 8.67371      1.28542  10.1627      1.35084  2.85649  0.225     3.09755  0.218049  
1 1 1 58 23 17 o 1.45019  0.284522  2.38657      0.795806 2.61888      1.17045  2.18685      1.08525  1.44686  0.393951  1.32701  0.385889  
1 1 1 58 23 18 o 0.717209 0.305202  0.206561     0.767859 0.16821      1.1228   0.240257     1.05244  0.816897 0.35849   0.810589 0.351369  
1 1 1 58 23 19 o 0.807253 0.323357  0.565911     0.791988 1.40736      1.16783  -0.150627    1.07767  1.07056  0.402299  0.742307 0.336622  
1 1 1 58 23 20 o 1.25352  0.32549   1.94529      0.823097 1.32787      1.1812   2.52808      1.1476   1.03723  0.40055   1.37118  0.396203  
1 1 1 58 23 21 o 0.938129 0.341962  1.05196      0.833889 0.522102     1.16351  1.61159      1.19575  0.858847 0.370824  1.0948   0.407932  
1 1 1 58 23 22 o 0.621648 0.289126  -0.351397    0.869739 -1.87686     1.20762  1.29259      1.25366  0.578008 0.285435  0.98883  0.402493  
1 1 1 58 23 23 o 0.901083 0.355293  1.04928      0.941181 -1.01529     1.28099  3.47122      1.38743  0.656637 0.317661  1.4667   0.43902   
1 1 1 58 23 24 o 1.34573  0.347392  2.52748      0.941106 3.4974       1.33009  1.55512      1.33176  1.47264  0.426875  0.99803  0.411949  
1 1 1 58 23 25 o 0.919197 0.359955  1.35621      0.960822 1.57487      1.39991  1.16147      1.32113  0.931415 0.404514  0.868881 0.384456  
1 1 1 58 23 26 o 1.37444  0.365577  2.99346      1.02268  2.959        1.49013  3.02415      1.4061   1.14479  0.448274  1.18939  0.442523  
1 1 1 58 23 27 o 0.812725 0.351822  1.21227      1.05249  -1.66141     1.54344  3.70997      1.43894  0.589378 0.296553  1.20848  0.448051  
1 1 1 58 24 0  o 2.74293  0.16007   7.67125      0.871277 7.67125      0.871277 7.67125      0.871277 2.75648  0.112175  ?        ?         
1 1 1 58 24 1  o 2.996    0.103761  9.04834      0.621735 9.45698      0.875724 8.63301      0.882852 3.05186  0.143474  2.91334  0.151519  
1 1 1 58 24 2  o 2.32684  0.128225  5.48091      0.596717 6.33835      0.823823 4.53454      0.865489 2.49226  0.165276  2.09628  0.206434  
1 1 1 58 24 3  o 1.50208  0.171518  2.30614      0.515268 1.6945       0.69027  3.07587      0.774354 1.24214  0.283926  1.72141  0.224918  
1 1 1 58 24 4  o 2.13746  0.161265  4.65844      0.689397 4.68599      1.03825  4.63672      0.92198  2.11718  0.245197  2.11571  0.217889  
1 1 1 58 24 5  o 1.7935   0.192655  3.30725      0.691054 2.82732      1.00812  3.73267      0.949142 1.5936   0.32754   1.8872   0.251468  
1 1 1 58 24 6  o 3.45202  0.114878  12.0366      0.793124 12.7318      1.16216  11.4305      1.08509  3.53179  0.164529  3.34743  0.162078  
1 1 1 58 24 7  o 2.10028  0.172702  4.51245      0.725445 6.01655      1.05884  3.18182      0.995914 2.40842  0.219821  1.72935  0.287944  
1 1 1 58 24 8  o 1.73807  0.212476  3.13104      0.738596 2.5859       1.05756  3.65013      1.03198  1.50604  0.356241  1.85344  0.278396  
1 1 1 58 24 9  o 1.47294  0.262698  2.35683      0.746046 1.27115      1.07664  3.35967      1.03475  1.0953   0.389608  1.76886  0.292491  
1 1 1 58 24 10 o 3.01837  0.132663  9.25163      0.800853 8.43028      1.11777  10.118       1.14799  2.85578  0.195704  3.13498  0.183093  
1 1 1 58 24 11 o 1.88816  0.198861  3.69402      0.750962 3.76511      1.09418  3.63071      1.03254  1.86847  0.292802  1.84032  0.280533  
1 1 1 58 24 12 o 1.59458  0.237758  2.68864      0.75825  2.34826      1.12569  2.97135      1.0259   1.40346  0.388219  1.61562  0.32891   
1 1 1 58 24 13 f 2.33926  0.168759  5.64464      0.78954  5.90576      1.14659  5.40918      1.08881  2.35388  0.243553  2.25389  0.241539  
1 1 1 58 24 14 o 0.739623 0.308216  0.271214     0.756695 0.948393     1.12179  -0.294151    1.025    0.993507 0.388963  0.724241 0.328368  
1 1 1 58 24 15 o 0.728346 0.308019  0.208401     0.773941 1.21189      1.10725  -0.750228    1.08222  1.05257  0.392477  0.678286 0.317775  
1 1 1 58 24 16 o 3.66054  0.129881  13.6998      0.950869 14.5171      1.38722  12.9754      1.30592  3.72497  0.186206  3.52232  0.185378  
1 1 1 58 24 17 o 1.37788  0.300159  2.21316      0.804173 2.45991      1.18148  2.00018      1.09768  1.38272  0.40281   1.25495  0.393556  
1 1 1 58 24 18 o 0.804907 0.323141  0.551381     0.793452 1.84607      1.14352  -0.650674    1.10186  1.18941  0.403148  0.68222  0.319802  
1 1 1 58 24 19 o 1.85205  0.227241  3.75615      0.841721 4.20937      1.1866   3.29712      1.19418  1.88745  0.314339  1.59337  0.379615  
1 1 1 58 24 20 o 0.733711 0.314487  0.27108      0.825728 2.19234      1.1466   -1.79883     1.19013  1.26128  0.403106  0.590069 0.29051   
1 1 1 58 24 21 o 1.53165  0.304315  2.89351      0.899093 2.37911      1.27481  3.40262      1.26824  1.25333  0.425661  1.54601  0.405239  
1 1 1 58 24 22 o 0.57196  0.27357   -0.703808    0.880101 -0.516794    1.2432   -0.891695    1.2461   0.69864  0.331037  0.661689 0.318653  
1 1 1 58 24 23 o 0.789959 0.337549  0.589672     0.946108 0.513726     1.3336   0.666629     1.34244  0.83247  0.376143  0.855269 0.38226   
1 1 1 58 24 24 o 0.614653 0.289271  -0.280936    0.926567 -0.0212505   1.37584  -0.496465    1.25343  0.735037 0.348267  0.667361 0.320945  
1 1 1 58 24 25 o 1.45735  0.361296  3.33193      1.04917  3.72958      1.49567  2.94671      1.47211  1.29858  0.459481  1.13531  0.445352  
1 1 1 58 24 26 o 0.955678 0.364394  1.62451      0.968795 0.976369     1.38127  2.25207      1.35917  0.808556 0.371456  1.00851  0.416212  
1 1 1 58 25 0  o 2.50244  0.173402  6.4222       0.858289 6.4222       0.858289 6.4222       0.858289 2.51856  0.121125  ?        ?         
1 1 1 58 25 1  o 0.879956 0.283862  0.812132     0.56761  0.347163     0.790035 1.30822      0.816041 0.786157 0.319676  1.09045  0.338806  
1 1 1 58 25 2  o 0.888757 0.282058  0.835406     0.562098 1.29922      0.734839 0.181289     0.872665 1.08506  0.318183  0.77588  0.327547  
1 1 1 58 25 3  o 0.766909 0.261559  0.582535     0.481343 0.806361     0.60915  0.210448     0.7854   0.883598 0.294241  0.750447 0.313449  
1 1 1 58 25 4  o 0.502225 0.240257  -0.854904    0.679565 -1.31969     1.01751  -0.480654    0.913052 0.602974 0.289782  0.667578 0.304725  
1 1 1 58 25 5  o 2.70795  0.135741  7.43956      0.735159 6.16749      1.07158  8.57064      1.01045  2.43742  0.219819  2.89297  0.17464   
1 1 1 58 25 6  o 2.43474  0.151239  6.03962      0.736452 6.40375      1.05625  5.69513      1.02735  2.48482  0.21254   2.34054  0.21947   
1 1 1 58 25 7  o 0.826029 0.312438  0.590998     0.707503 0.914867     1.03114  0.302885     0.972552 0.992411 0.376654  0.831564 0.348161  
1 1 1 58 25 8  o 3.44001  0.120204  11.9838      0.827007 12.071       1.1789   11.8994      1.16045  3.43015  0.171844  3.40644  0.170331  
1 1 1 58 25 9  o 1.35359  0.283903  2.0252       0.743995 2.89209      1.07058  1.21548      1.03468  1.59264  0.345796  1.07261  0.3819    
1 1 1 58 25 10 o 2.09435  0.178923  4.52172      0.749453 5.56072      1.07935  3.55443      1.04144  2.29798  0.234848  1.81487  0.286918  
1 1 1 58 25 11 o 2.44639  0.159611  6.14492      0.780942 5.71316      1.11834  6.55582      1.09101  2.32075  0.240943  2.49887  0.2183    
1 1 1 58 25 12 o 0.770231 0.315598  0.359184     0.775922 0.480662     1.18415  0.267783     1.02716  0.910125 0.382755  0.826591 0.352408  
1 1 1 58 25 13 o 2.12208  0.183163  4.68609      0.777375 4.40097      1.13781  4.9357       1.06459  2.00279  0.284055  2.14347  0.248333  
1 1 1 58 25 14 o 1.72686  0.230781  3.18087      0.797053 2.35871      1.1522   3.93537      1.10376  1.37873  0.396545  1.88501  0.292773  
1 1 1 58 25 15 o 1.6987   0.230579  3.09028      0.783369 3.61458      1.14959  2.63576      1.07036  1.75122  0.340371  1.47146  0.365006  
1 1 1 58 25 16 o 0.874009 0.332484  0.764711     0.805013 1.09528      1.19003  0.485819     1.09306  1.01538  0.39978   0.868665 0.366643  
1 1 1 58 25 17 o 1.77419  0.227006  3.41203      0.805504 4.06283      1.19393  2.86832      1.09128  1.83528  0.337935  1.51195  0.364592  
1 1 1 58 25 18 o 0.901872 0.333853  0.916593     0.798286 1.91604      1.11249  -0.144273    1.14616  1.19627  0.397639  0.756357 0.34419   
1 1 1 58 25 19 o 0.700887 0.30606   0.134971     0.810084 0.456387     1.12486  -0.211333    1.1676   0.843426 0.364395  0.748359 0.342844  
1 1 1 58 25 20 o 1.00345  0.34615   1.30432      0.844214 1.41958      1.17644  1.18196      1.21216  1.02766  0.399143  0.976167 0.396298  
1 1 1 58 25 21 o 1.59005  0.291495  3.12271      0.892414 3.00624      1.23832  3.24857      1.28722  1.4107   0.412846  1.46176  0.418716  
1 1 1 58 25 22 o 0.781373 0.333187  0.555487     0.91845  -0.0010925   1.32974  1.06325      1.27008  0.769576 0.357762  0.917449 0.39153   
1 1 1 58 25 23 o 1.00639  0.37074   1.59102      0.982384 2.64474      1.50811  0.814357     1.29476  1.15376  0.451138  0.843828 0.376324  
1 1 1 58 25 24 o 0.691464 0.311812  0.322995     0.911945 0.633614     1.33638  0.0522874    1.24757  0.786321 0.36289   0.708425 0.334061  
1 1 1 58 25 25 o 0.679353 0.30935   0.250757     0.929177 1.2373       1.2927   -0.803786    1.33651  0.862316 0.381085  0.640338 0.313104  
1 1 1 58 25 26 o 0.616861 0.294065  0.00781489   0.995519 1.66339      1.47517  -1.37672     1.34903  0.821861 0.380045  0.564628 0.282314  
1 1 1 58 26 0  o 2.80614  0.161182  8.03425      0.897769 8.03425      0.897769 8.03425      0.897769 2.82046  0.11295   ?        ?         
1 1 1 58 26 1  o 3.15058  0.105942  10.0174      0.66756  10.6007      0.912156 9.34458      0.979591 3.22964  0.141216  3.02463  0.161936  
1 1 1 58 26 2  o 3.90454  0.0898948 15.3476      0.701996 15.7249      0.966694 14.9266      1.02108  3.94101  0.122645  3.83549  0.13311   
1 1 1 58 26 3  o 1.68732  0.202549  2.94586      0.683531 2.65536      1.01712  3.18511      0.923034 1.5307   0.341076  1.73361  0.266217  
1 1 1 58 26 4  o 0.838804 0.311032  0.642206     0.693466 1.00353      0.997639 0.304407     0.964613 1.00998  0.37335   0.829329 0.346949  
1 1 1 58 26 5  o 1.74965  0.201024  3.16968      0.703442 2.62453      1.01083  3.68162      0.979546 1.51929  0.341062  1.86328  0.262855  
1 1 1 58 26 6  o 4.33202  0.101279  18.9359      0.877483 19.5528      1.26723  18.3677      1.21623  4.38166  0.144607  4.24756  0.143169  
1 1 1 58 26 7  o 0.580198 0.267737  -0.482614    0.727213 0.201655     1.0521   -1.10859     1.00629  0.834155 0.356179  0.617978 0.294848  
1 1 1 58 26 8  o 1.8361   0.203467  3.50438      0.747171 4.68161      1.06734  2.3731       1.0463   2.10014  0.254111  1.42624  0.365213  
1 1 1 58 26 9  o 0.529504 0.252825  -0.857634    0.74346  0.171823     1.09609  -1.73481     1.01178  0.835053 0.360228  0.554402 0.271396  
1 1 1 58 26 10 o 1.43171  0.267347  2.26595      0.737086 1.41641      1.07354  3.02359      1.01381  1.1162   0.389832  1.62728  0.322984  
1 1 1 58 26 11 o 2.91953  0.149604  8.74607      0.873546 8.88512      1.27575  8.62332      1.19862  2.90008  0.21995   2.86432  0.209232  
1 1 1 58 26 12 o 1.42852  0.28702   2.3057       0.791167 2.3861       1.20654  2.24505      1.04791  1.384    0.408307  1.36091  0.373743  
1 1 1 58 26 13 o 1.19384  0.316248  1.66243      0.767266 0.339778     1.14555  2.73852      1.03327  0.865458 0.370669  1.51883  0.34752   
1 1 1 58 26 14 o 1.24949  0.322683  1.84287      0.811773 2.44443      1.16505  1.27524      1.13172  1.3925   0.39818   1.06243  0.396664  
1 1 1 58 26 15 o 0.908118 0.33234   0.887315     0.7883   1.12759      1.13402  0.66265      1.09657  1.01527  0.392386  0.905208 0.373732  
1 1 1 58 26 16 o 1.62419  0.253985  2.9158       0.825036 2.94024      1.1721   2.8918       1.16153  1.5119   0.386188  1.4999   0.385227  
1 1 1 58 26 17 o 1.46732  0.296693  2.55355      0.840242 1.63233      1.15184  3.60133      1.22841  1.11566  0.40237   1.6732   0.376239  
1 1 1 58 26 18 o 1.01286  0.342124  1.27545      0.823539 0.0789988    1.12447  2.65969      1.2095   0.779923 0.349185  1.38959  0.408442  
1 1 1 58 26 19 o 0.882083 0.337733  0.896116     0.835057 1.08226      1.13976  0.680403     1.22695  0.954643 0.385615  0.885749 0.3816    
1 1 1 58 26 20 o 1.20231  0.344697  1.95773      0.871974 1.39709      1.21001  2.56343      1.25769  1.00075  0.400176  1.28413  0.422793  
1 1 1 58 26 21 o 1.20426  0.350966  2.02934      0.896745 2.04552      1.33338  2.01597      1.21171  1.11564  0.426882  1.12716  0.412083  
1 1 1 58 26 22 o 1.50769  0.321441  3.03815      0.940576 1.53128      1.42619  4.19803      1.25126  0.979716 0.416399  1.70127  0.377689  
1 1 1 58 26 23 o 1.01766  0.361808  1.69601      0.92837  0.952698     1.30616  2.4549       1.31977  0.835031 0.375035  1.10959  0.42466   
1 1 1 58 26 24 o 1.19543  0.367867  2.35183      0.965153 3.1663       1.39332  1.60051      1.33822  1.22711  0.442544  0.921058 0.397689  
1 1 1 58 26 25 o 0.539271 0.265241  -0.886161    0.988041 -0.610903    1.36654  -1.18768     1.43024  0.632678 0.311426  0.604854 0.30091   
1 1 1 58 27 0  o 2.65308  0.175469  7.22422      0.921719 7.22422      0.921719 7.22422      0.921719 2.67067  0.122609  ?        ?         
1 1 1 58 27 1  o 0.819171 0.289206  0.657699     0.592239 0.901917     0.797494 0.357407     0.884324 0.944363 0.335378  0.815379 0.335983  
1 1 1 58 27 2  o 2.33521  0.120492  5.52299      0.562749 7.20545      0.79322  3.81806      0.7985   2.65831  0.149197  1.91764  0.208199  
1 1 1 58 27 3  o 3.1103   0.121552  9.80024      0.756127 9.38354      1.10214  10.1708      1.03928  3.01903  0.182533  3.15144  0.164889  
1 1 1 58 27 4  o 1.08981  0.318275  1.3297       0.736718 0.968523     1.05541  1.67293      1.02885  1.00852  0.381561  1.2074   0.38144   
1 1 1 58 27 5  o 0.53924  0.253615  -0.681304    0.709982 -0.426822    1.01189  -0.928066    0.996422 0.709512 0.323014  0.63421  0.298913  
1 1 1 58 27 6  o 0.853398 0.317926  0.676506     0.726233 0.84278      1.02541  0.509166     1.02869  0.964907 0.373082  0.887089 0.363417  
1 1 1 58 27 7  o 2.52589  0.154113  6.53695      0.778547 6.9058       1.10242  6.16994      1.09965  2.56767  0.214672  2.42046  0.227158  
1 1 1 58 27 8  o 3.86002  0.118119  15.1263      0.911881 14.7046      1.28922  15.5485      1.28997  3.77506  0.170755  3.88515  0.166012  
1 1 1 58 27 9  o 1.67552  0.232017  2.98096      0.7775   3.51527      1.15671  2.5406       1.0501   1.73893  0.344853  1.46192  0.360864  
1 1 1 58 27 10 o 1.96548  0.199567  4.04871      0.78449  3.85376      1.1875   4.19968      1.04498  1.8227   0.338429  1.96769  0.265535  
1 1 1 58 27 11 f 0.639853 0.285745  -0.15875     0.748752 0.850113     1.11226  -0.994819    1.01254  0.965634 0.384496  0.623271 0.296944  
1 1 1 58 27 12 o 1.61016  0.244023  2.79219      0.785833 2.52115      1.20341  2.9937       1.03761  1.41571  0.404641  1.59574  0.33571   
1 1 1 58 27 13 o 0.773879 0.315067  0.420063     0.768358 -1.05768     1.08914  1.88424      1.08412  0.640448 0.305848  1.22903  0.391886  
1 1 1 58 27 14 o 3.35306  0.134315  11.5501      0.900734 9.31758      1.29822  13.6223      1.25077  2.94645  0.220302  3.60999  0.173237  
1 1 1 58 27 15 o 0.78263  0.320102  0.464187     0.796797 -0.217123    1.10047  1.21494      1.1552   0.740256 0.336969  1.02391  0.39597   
1 1 1 58 27 16 o 0.809751 0.325834  0.586485     0.809366 0.354745     1.14645  0.816744     1.14279  0.835534 0.364486  0.922858 0.381303  
1 1 1 58 27 17 o 1.46257  0.299519  2.56135      0.845941 1.14575      1.13995  4.29639      1.26203  0.988164 0.390575  1.84961  0.35379   
1 1 1 58 27 18 o 0.781866 0.323432  0.514947     0.823757 0.573669     1.12603  0.447336     1.20825  0.852242 0.366336  0.845314 0.371415  
1 1 1 58 27 19 o 0.813723 0.334665  0.669821     0.875752 0.374594     1.25098  0.953555     1.22639  0.821163 0.36796   0.914472 0.387285  
1 1 1 58 27 20 o 1.02736  0.353821  1.48385      0.881738 0.873469     1.30295  1.99955      1.19763  0.890921 0.388608  1.1271   0.409914  
1 1 1 58 27 21 o 1.48345  0.314691  2.88311      0.905324 2.96475      1.27706  2.80063      1.28361  1.34582  0.424947  1.29853  0.427127  
1 1 1 58 27 22 o 0.980445 0.351102  1.51075      0.875643 -0.352858    1.229    3.43214      1.24791  0.673452 0.322393  1.40973  0.415041  
1 1 1 58 27 23 o 0.772452 0.333248  0.775549     0.938189 1.41222      1.38951  0.242105     1.27188  0.883056 0.392051  0.725856 0.340856  
1 1 1 58 27 24 o 0.829102 0.346037  1.09724      0.956068 0.700283     1.37095  1.47307      1.33398  0.774261 0.36122   0.877492 0.387543  
1 1 1 58 28 0  o 0.868148 0.418     1.1968       0.834198 1.1968       0.834198 1.1968       0.834198 0.927937 0.343741  ?        ?         
1 1 1 58 28 1  o 2.20034  0.13982   4.93427      0.615304 5.5759       0.827554 4.14104      0.920133 2.32569  0.177916  1.98355  0.23194   
1 1 1 58 28 2  o 1.93475  0.154396  3.83198      0.597436 3.93024      0.748594 3.6596       0.991504 1.94724  0.192219  1.84842  0.268203  
1 1 1 58 28 3  o 2.64853  0.142693  7.15995      0.755851 7.98963      1.12856  6.48505      1.01786  2.76914  0.203775  2.4947   0.204004  
1 1 1 58 28 4  o 4.11259  0.112313  17.1356      0.923799 15.9664      1.28081  18.4033      1.33369  3.94223  0.162447  4.23583  0.15743   
1 1 1 58 28 5  o 1.1035   0.310137  1.38714      0.712745 0.846913     0.987532 1.97453      1.02974  0.952152 0.366545  1.28892  0.376238  
1 1 1 58 28 6  o 1.82751  0.200649  3.48993      0.733376 3.74861      1.02933  3.22324      1.04516  1.85782  0.277025  1.67987  0.322591  
1 1 1 58 28 7  f 1.90063  0.19872   3.77741      0.755388 4.13698      1.10444  3.46136      1.03546  1.94515  0.283895  1.77504  0.291671  
1 1 1 58 28 8  o 1.73593  0.224796  3.19656      0.780459 3.74777      1.1441   2.7168       1.06737  1.80334  0.329454  1.51095  0.358201  
1 1 1 58 28 9  o 1.4613   0.276409  2.39315      0.778425 2.58576      1.17973  2.24463      1.03595  1.44613  0.39629   1.36159  0.370577  
1 1 1 58 28 10 o 1.25088  0.306622  1.81157      0.762191 1.76703      1.15013  1.84644      1.01777  1.20266  0.40431   1.232    0.377485  
1 1 1 58 28 11 o 2.29189  0.172587  5.46077      0.791103 5.93397      1.16767  5.05929      1.07557  2.34068  0.24943   2.16173  0.248775  
1 1 1 58 28 12 o 2.01038  0.196967  4.26585      0.791959 3.8416       1.17716  4.61667      1.07043  1.7999   0.339426  2.05123  0.260925  
1 1 1 58 28 13 o 0.82681  0.325161  0.623779     0.786408 1.87093      1.13743  -0.518352    1.08848  1.20662  0.402072  0.699351 0.324564  
1 1 1 58 28 14 o 0.778926 0.323983  0.415071     0.833651 0.177574     1.18176  0.650335     1.17619  0.821418 0.363514  0.903519 0.380792  
1 1 1 58 28 15 o 1.12404  0.334575  1.57678      0.807333 1.52726      1.12634  1.62911      1.15779  1.08768  0.397335  1.11381  0.403239  
1 1 1 58 28 16 o 1.9375   0.217569  4.09532      0.843081 3.95971      1.17203  4.24073      1.21366  1.78745  0.340105  1.85055  0.340681  
1 1 1 58 28 17 o 0.767352 0.323101  0.432945     0.845482 1.13743      1.2006   -0.260127    1.19084  0.973022 0.394646  0.737813 0.341287  
1 1 1 58 28 18 o 0.915009 0.346425  1.05608      0.870489 1.78318      1.2615   0.395168     1.20272  1.08991  0.415744  0.817286 0.363643  
1 1 1 58 28 19 o 0.890773 0.345072  1.01855      0.878089 0.111638     1.26762  1.85518      1.21751  0.775431 0.356074  1.08938  0.410491  
1 1 1 58 28 20 o 1.02661  0.34906   1.49698      0.857267 1.28427      1.22214  1.70301      1.20281  0.950507 0.393619  1.04057  0.40371   
1 1 1 58 28 21 o 0.715153 0.315931  0.414611     0.887342 0.0633798    1.25924  0.761033     1.25059  0.72615  0.340662  0.815899 0.366687  
1 1 1 58 28 22 o 0.760242 0.324455  0.72988      0.872261 0.635852     1.23337  0.823965     1.23375  0.772797 0.353341  0.798574 0.361257  
1 1 1 58 28 23 o 0.908146 0.360788  1.40173      0.977299 0.831059     1.38455  1.9684       1.37968  0.801647 0.369738  0.968497 0.410502  
1 1 1 58 28 24 o 0.605073 0.289158  -0.0717172   0.97787  -0.153014    1.42971  -0.000256697 1.34044  0.653649 0.320714  0.65653  0.319569  
1 1 1 58 29 0  o 2.11779  0.230001  4.76692      0.947945 4.76692      0.947945 4.76692      0.947945 2.15171  0.157706  ?        ?         
1 1 1 58 29 1  o 0.449211 0.217543  -0.924646    0.606822 -0.981509    0.752203 -0.818665    1.0269   0.516237 0.248355  0.653482 0.306763  
1 1 1 58 29 2  o 1.54064  0.208997  2.49065      0.643979 2.99613      0.829686 1.72466      1.02134  1.67356  0.24788   1.20429  0.380003  
1 1 1 58 29 3  o 1.27825  0.286533  1.84551      0.714304 1.9496       1.04435  1.75402      0.979154 1.27353  0.380829  1.21461  0.369873  
1 1 1 58 29 4  o 1.31304  0.292425  1.95611      0.74797  2.80986      1.05804  1.10318      1.05753  1.54521  0.350367  1.02477  0.383275  
1 1 1 58 29 5  o 0.875446 0.317195  0.777865     0.716531 0.846513     1.07022  0.722093     0.964641 0.960583 0.37883   0.909368 0.359334  
1 1 1 58 29 6  o 0.911741 0.319961  0.887597     0.723933 1.01175      1.07709  0.785299     0.977702 0.999761 0.383342  0.926085 0.363011  
1 1 1 58 29 7  o 1.05825  0.321827  1.29365      0.741624 0.552154     1.09769  1.91638      1.00594  0.897812 0.372494  1.25866  0.373228  
1 1 1 58 29 8  f 1.1706   0.319953  1.60138      0.770228 -0.194662    1.15679  3.03177      1.03234  0.779148 0.351278  1.61153  0.331656  
1 1 1 58 29 9  o 0.671834 0.295076  -0.0181261   0.76201  -0.253294    1.14457  0.169092     1.02124  0.764019 0.346667  0.796736 0.345752  
1 1 1 58 29 10 o 2.97609  0.136936  9.08764      0.815065 8.25877      1.20087  9.79561      1.10985  2.78522  0.21558   3.06062  0.181311  
1 1 1 58 29 11 o 2.09892  0.197082  4.66112      0.827319 4.54359      1.14782  4.78821      1.19353  2.01349  0.285031  2.06374  0.289168  
1 1 1 58 29 12 o 1.98804  0.224123  4.26874      0.891128 3.13756      1.21432  5.58884      1.31181  1.56469  0.389175  2.21327  0.29635   
1 1 1 58 29 13 o 1.25985  0.322462  1.93889      0.815952 2.88199      1.16502  1.03086      1.14315  1.48503  0.388002  0.974217 0.389207  
1 1 1 58 29 14 o 0.673728 0.29995   -0.0292008   0.819408 -1.05804     1.12913  1.11542      1.19097  0.639147 0.306703  0.990476 0.396621  
1 1 1 58 29 15 o 0.539312 0.259135  -0.890694    0.812671 -1.05441     1.16223  -0.734067    1.13677  0.647357 0.310769  0.673461 0.317957  
1 1 1 58 29 16 o 1.52385  0.293785  2.80439      0.863414 2.91294      1.23029  2.69903      1.21202  1.4301   0.409256  1.37298  0.4102    
1 1 1 58 29 17 o 0.587112 0.278914  -0.636775    0.887635 -2.03806     1.33158  0.483851     1.19079  0.600058 0.297143  0.829609 0.366306  
1 1 1 58 29 18 o 0.644628 0.292966  -0.055231    0.824514 -0.993502    1.14212  0.965975     1.19153  0.621947 0.300717  0.898854 0.38126   
1 1 1 58 29 19 o 1.41943  0.307854  2.61031      0.849389 2.9772       1.18834  2.22706      1.21452  1.39155  0.403526  1.17017  0.41405   
1 1 1 58 29 20 o 0.576166 0.273711  -0.432857    0.854806 -1.03057     1.19789  0.187292     1.22017  0.609039 0.297479  0.738178 0.342988  
1 1 1 58 29 21 o 0.914985 0.350203  1.35121      0.89759  1.55216      1.26518  1.14757      1.27363  0.921198 0.391878  0.853354 0.377548  
1 1 1 58 29 22 o 0.822865 0.340507  0.993415     0.913513 1.20646      1.28833  0.777991     1.2955   0.860486 0.380337  0.798793 0.36415   
1 1 1 58 29 23 o 0.526029 0.259889  -1.01639     1.0041   -0.557031    1.4507   -1.43883     1.39118  0.635756 0.313686  0.573773 0.286886  
1 1 1 58 30 0  o 1.69725  0.299541  3.26638      0.922248 3.26638      0.922248 3.26638      0.922248 1.75907  0.190462  ?        ?         
1 1 1 58 30 1  o 1.48394  0.205592  2.31579      0.610174 1.53387      0.794856 3.4377       0.95211  1.14579  0.329301  1.77821  0.267715  
1 1 1 58 30 2  o 1.96671  0.194209  4.04678      0.763906 1.63628      1.16827  5.84719      1.00966  1.17072  0.406878  2.35284  0.214562  
1 1 1 58 30 3  o 0.991313 0.32353   1.11068      0.736457 0.402027     1.12741  1.63813      0.972654 0.874968 0.370981  1.17098  0.370972  
1 1 1 58 30 4  o 1.61233  0.229466  2.76978      0.739951 2.40522      1.10792  3.06332      0.994187 1.40073  0.384127  1.63262  0.315746  
1 1 1 58 30 5  o 1.0967   0.316984  1.39662      0.73446  1.52966      1.11266  1.2939       0.977736 1.13635  0.396872  1.06259  0.371943  
1 1 1 58 30 6  o 0.688246 0.296454  0.0942947    0.740233 -0.450595    1.0848   0.569079     1.01262  0.71776  0.329511  0.878167 0.360299  
1 1 1 58 30 7  o 3.26494  0.13485   10.9172      0.880556 12.7383      1.29821  9.36543      1.19836  3.48948  0.186018  2.98106  0.200996  
1 1 1 58 30 8  o 2.44285  0.166296  6.1966       0.812474 5.07772      1.22496  7.07545      1.08564  2.13449  0.286943  2.5818   0.210249  
1 1 1 58 30 9  o 0.711169 0.30252   0.198213     0.753928 0.298534     1.12313  0.11593      1.01716  0.840659 0.363669  0.778965 0.34153   
1 1 1 58 30 10 o 2.20515  0.196525  5.15528      0.866733 5.3586       1.15308  4.8912       1.31414  2.1999   0.262076  2.05354  0.319969  
1 1 1 58 30 11 o 0.655339 0.29778   -0.229381    0.85098  0.291367     1.18062  -0.792493    1.2277   0.841238 0.368398  0.704364 0.331924  
1 1 1 58 30 12 o 2.45289  0.182206  6.37897      0.893863 5.94496      1.31647  6.7502       1.21754  2.27104  0.28984   2.4651   0.246955  
1 1 1 58 30 13 o 2.21616  0.19345   5.25721      0.85743  4.74323      1.25037  5.71344      1.17804  2.00324  0.312087  2.2506   0.261717  
1 1 1 58 30 14 o 2.23788  0.211008  5.44309      0.944424 6.02994      1.31509  4.8181       1.35714  2.27702  0.288775  1.94793  0.361895  
1 1 1 58 30 15 o 1.05573  0.346723  1.46115      0.845831 2.23895      1.23046  0.764352     1.16463  1.23224  0.418191  0.889236 0.377043  
1 1 1 58 30 16 o 1.07573  0.346233  1.56891      0.844795 1.37026      1.17334  1.78273      1.21731  0.996839 0.395542  1.09134  0.41061   
1 1 1 58 30 17 o 0.824858 0.329505  0.785269     0.819278 0.732813     1.16557  0.836495     1.15182  0.853873 0.369945  0.871121 0.372343  
1 1 1 58 30 18 o 1.14012  0.338684  1.80361      0.827846 1.13059      1.14674  2.53612      1.19634  0.919857 0.381126  1.2602   0.412352  
1 1 1 58 30 19 o 0.59562  0.278764  -0.23643     0.825091 -0.376761    1.18468  -0.104236    1.14981  0.670079 0.319756  0.693195 0.32526   
1 1 1 58 30 20 f 1.05608  0.352989  1.79293      0.876678 2.55969      1.24446  1.03752      1.23521  1.14738  0.417796  0.839004 0.371426  
1 1 1 58 30 21 o 0.890651 0.349196  1.26445      0.904802 1.46854      1.30484  1.07543      1.25574  0.903617 0.391459  0.841448 0.37325   
1 1 1 58 30 22 o 0.4215   0.213803  -2.3406      0.917181 -3.01435     1.3113   -1.69529     1.28334  0.491759 0.25046   0.549233 0.274617  
1 1 1 58 31 0  o 1.49705  0.347853  2.70405      0.904748 2.70405      0.904748 2.70405      0.904748 1.58357  0.210268  ?        ?         
1 1 1 58 31 1  o 1.25357  0.242621  1.73608      0.586571 1.40766      0.775829 2.17432      0.896206 1.09637  0.328317  1.35633  0.332497  
1 1 1 58 31 2  o 1.90904  0.200581  3.83526      0.765835 5.06677      1.21829  3.03069      0.984721 2.14055  0.284573  1.61986  0.3152    
1 1 1 58 31 3  o 3.44478  0.121628  12.0977      0.837962 10.9402      1.2987   12.9233      1.09683  3.2222   0.201524  3.53915  0.154957  
1 1 1 58 31 4  o 1.61446  0.243821  2.81401      0.787277 2.57517      1.23495  2.97753      1.02184  1.42173  0.411068  1.59055  0.332057  
1 1 1 58 31 5  o 5.95002  0.104615  35.9362      1.24492  35.5588      1.86055  36.2421      1.67516  5.86209  0.158694  5.93915  0.141027  
1 1 1 58 31 6  o 1.07128  0.337133  1.36369      0.804569 0.74783      1.20688  1.85634      1.07943  0.947522 0.391693  1.21726  0.39133   
1 1 1 58 31 7  o 4.09403  0.127146  17.1666      1.04108  14.7786      1.55673  19.0988      1.40027  3.7251   0.208951  4.28589  0.163359  
1 1 1 58 31 8  f 0.610067 0.282177  -0.43779     0.813887 1.15641      1.16591  -1.95303     1.13667  1.01923  0.397048  0.570355 0.280913  
1 1 1 58 31 9  o 1.35825  0.323685  2.22966      0.868041 2.93011      1.20737  1.48022      1.24887  1.49832  0.396622  1.09311  0.414622  
1 1 1 58 31 10 o 2.19423  0.201996  5.16235      0.886451 5.25153      1.22329  5.06374      1.28635  2.14168  0.285591  2.08055  0.309138  
1 1 1 58 31 11 o 1.73462  0.248186  3.35184      0.861013 2.4721       1.23932  4.17267      1.19709  1.33523  0.418066  1.84475  0.336975  
1 1 1 58 31 12 o 0.84912  0.334279  0.732624     0.831928 1.48976      1.24983  0.130282     1.11477  1.07242  0.412461  0.786236 0.349954  
1 1 1 58 31 13 o 1.44869  0.293881  2.51662      0.821813 3.26887      1.22312  1.89754      1.10959  1.5544   0.393     1.1739   0.397121  
1 1 1 58 31 14 o 1.72113  0.247246  3.37675      0.851083 3.35896      1.20938  3.39421      1.19793  1.55758  0.388977  1.57277  0.383709  
1 1 1 58 31 15 o 1.71993  0.240819  3.39337      0.828384 2.43917      1.13044  4.50003      1.21741  1.28228  0.398839  1.85838  0.340215  
1 1 1 58 31 16 o 1.32908  0.320988  2.32539      0.844863 2.75311      1.19132  1.89261      1.19835  1.33721  0.408136  1.10028  0.408693  
1 1 1 58 31 17 o 1.11247  0.341267  1.7316       0.831502 2.59348      1.1911   0.912299     1.16131  1.27723  0.411121  0.877065 0.374345  
1 1 1 58 31 18 o 0.831756 0.331705  0.934687     0.82899  -0.104236    1.1769   1.95775      1.16789  0.698716 0.32807   1.06103  0.401392  
1 1 1 58 31 19 o 0.783129 0.328286  0.804876     0.866448 -0.0910778   1.22345  1.7064       1.22724  0.691114 0.327908  0.960631 0.395812  
1 1 1 58 31 20 o 0.753488 0.320795  0.697224     0.849047 1.01837      1.202    0.377428     1.19947  0.83034  0.367147  0.738003 0.341813  
1 1 1 58 31 21 f 0.750977 0.327767  0.768698     0.928081 0.804411     1.31636  0.7334       1.30868  0.771511 0.357619  0.762537 0.354654  
1 1 1 58 32 0  o 2.22229  0.223813  5.25677      0.97162  5.25677      0.97162  5.25677      0.97162  2.25867  0.153724  ?        ?         
1 1 1 58 32 1  o 3.7081   0.115823  14.0159      0.85897  15.1303      1.33162  13.2217      1.1241   3.80691  0.174896  3.57313  0.1573    
1 1 1 58 32 2  o 1.34185  0.284308  2.06977      0.739707 2.26733      1.12403  1.91885      0.98242  1.33572  0.39411   1.24474  0.368786  
1 1 1 58 32 3  o 2.51505  0.153116  6.54545      0.770187 4.76894      1.16179  7.93832      1.02873  2.06661  0.281086  2.74733  0.187223  
1 1 1 58 32 4  o 1.10869  0.328556  1.47434      0.779709 0.701594     1.1927   2.05106      1.03038  0.929782 0.387175  1.27648  0.377557  
1 1 1 58 32 5  o 2.10179  0.189287  4.66334      0.795683 5.86859      1.24334  3.82739      1.03549  2.29507  0.270872  1.84672  0.280359  
1 1 1 58 32 6  o 1.77545  0.237948  3.43829      0.84493  3.38395      1.19823  3.49203      1.19162  1.64185  0.373252  1.6754   0.365734  
1 1 1 58 32 7  o 1.08017  0.329724  1.42222      0.777501 1.48472      1.09547  1.35878      1.10368  1.08838  0.392414  1.05527  0.392169  
1 1 1 58 32 8  o 0.746297 0.313444  0.341033     0.792384 1.80986      1.11267  -1.17042     1.1287   1.16981  0.397672  0.629499 0.30318   
1 1 1 58 32 9  o 0.894102 0.338275  0.881379     0.829539 0.735576     1.1234   1.05621      1.23015  0.902412 0.375767  0.982071 0.399049  
1 1 1 58 32 10 o 0.760096 0.318216  0.39496      0.812366 0.476849     1.15586  0.315025     1.14198  0.855832 0.369564  0.824908 0.361775  
1 1 1 58 32 11 o 1.7696   0.231932  3.45956      0.820852 2.43572      1.14667  4.5357       1.17559  1.33362  0.3991    1.96511  0.299116  
1 1 1 58 32 12 o 0.545026 0.261026  -0.793095    0.807855 -1.19698     1.195    -0.453157    1.09632  0.635921 0.307496  0.686666 0.321368  
1 1 1 58 32 13 o 1.21556  0.322975  1.90903      0.798743 0.854153     1.12536  2.97994      1.13388  0.892418 0.374118  1.46242  0.383099  
1 1 1 58 32 14 o 0.61375  0.284516  -0.284821    0.833424 -0.752511    1.1318   0.269179     1.23182  0.647209 0.309722  0.796353 0.360575  
1 1 1 58 32 15 o 1.18888  0.336568  1.93026      0.836441 1.03293      1.16237  2.89393      1.20457  0.907879 0.380393  1.37259  0.408706  
1 1 1 58 32 16 f 1.64178  0.26213   3.22993      0.86072  3.70322      1.21641  2.75535      1.21807  1.59335  0.385371  1.31154  0.415108  
1 1 1 58 32 17 o 1.66378  0.254706  3.40039      0.847553 2.89936      1.19139  3.91378      1.20599  1.30151  0.41038   1.59684  0.382151  
1 1 1 58 32 18 o 0.578158 0.272295  -0.291731    0.823929 -0.228574    1.18394  -0.351045    1.14735  0.669593 0.319556  0.650013 0.311251  
1 1 1 58 32 19 o 0.691141 0.307478  0.383412     0.859638 0.499207     1.21933  0.268982     1.21212  0.755206 0.347808  0.725173 0.338836  
1 1 1 58 32 20 o 0.908539 0.349423  1.41952      0.89698  2.63822      1.26166  0.173951     1.27549  1.10867  0.417847  0.703174 0.334189  
1 1 1 58 33 0  o 1.70513  0.409941  3.6602       1.21135  3.6602       1.21135  3.6602       1.21135  1.82635  0.244228  ?        ?         
1 1 1 58 33 1  o 2.29516  0.181631  5.54864      0.833743 5.09693      1.17119  6.01275      1.18715  2.13015  0.274908  2.33196  0.254539  
1 1 1 58 33 2  o 2.233    0.177551  5.24304      0.792943 5.0443       1.18742  5.403        1.06528  2.11265  0.281026  2.22157  0.239758  
1 1 1 58 33 3  o 2.67879  0.162714  7.49215      0.871756 8.4399       1.27486  6.6598       1.19473  2.78537  0.22885   2.46194  0.24264   
1 1 1 58 33 4  o 0.85165  0.338695  0.684874     0.862095 0.961883     1.17619  0.363304     1.26727  0.965097 0.390949  0.86964  0.38125   
1 1 1 58 33 5  o 1.66661  0.251679  3.08914      0.838902 2.15075      1.15773  4.12656      1.21729  1.26363  0.405179  1.83225  0.34484   
1 1 1 58 33 6  o 2.95792  0.148233  9.0999       0.876919 9.53967      1.25885  8.68532      1.22227  2.9693   0.211977  2.8291   0.216017  
1 1 1 58 33 7  o 2.28047  0.18867   5.54469      0.860512 5.59969      1.19924  5.48632      1.23546  2.22127  0.269945  2.18629  0.282547  
1 1 1 58 33 8  o 2.47673  0.178227  6.50424      0.882842 6.01101      1.24566  7.00203      1.25141  2.29751  0.271091  2.50255  0.250027  
1 1 1 58 33 9  o 1.24651  0.330302  1.94935      0.836818 0.88783      1.16232  3.09169      1.20575  0.932331 0.384843  1.51621  0.394067  
1 1 1 58 33 10 o 1.45838  0.290893  2.55062      0.818412 2.32633      1.17118  2.76467      1.14411  1.28195  0.407171  1.4212   0.390619  
1 1 1 58 33 11 o 0.884423 0.330294  0.93491      0.784792 1.25517      1.09896  0.601623     1.12109  0.983706 0.385014  0.848229 0.365094  
1 1 1 58 33 12 o 2.37249  0.183914  6.10334      0.872671 7.11436      1.24529  5.12775      1.22329  2.48017  0.25105   2.04899  0.298509  
1 1 1 58 33 13 o 0.982252 0.342755  1.31567      0.829758 0.18118      1.16955  2.46544      1.1774   0.767964 0.348993  1.26245  0.408989  
1 1 1 58 33 14 f 0.774027 0.326278  0.561643     0.863793 1.0062       1.24972  0.15498      1.19528  0.906554 0.387677  0.765305 0.349124  
1 1 1 58 33 15 o 0.89189  0.336155  1.05904      0.816576 0.483174     1.12762  1.69402      1.18407  0.794863 0.353001  1.03637  0.400867  
1 1 1 58 33 16 o 1.56133  0.282119  3.16054      0.848685 4.07404      1.19613  2.23443      1.20436  1.64335  0.372467  1.11005  0.410236  
1 1 1 58 33 17 o 0.921685 0.342989  1.33578      0.844788 0.706262     1.20581  1.94264      1.18391  0.786807 0.356474  1.0153   0.399068  
1 1 1 58 33 18 o 0.688065 0.306849  0.36468      0.860769 -0.191127    1.2145   0.925663     1.22014  0.674771 0.322414  0.815641 0.364493  
1 1 1 58 33 19 o 0.612613 0.286119  -0.0303025   0.863112 0.417209     1.25951  -0.426526    1.18514  0.729575 0.341986  0.631917 0.305675  
1 1 1 58 34 0  o 0.52163  0.359146  -0.397936    1.16657  -0.397936    1.16657  -0.397936    1.16657  0.431193 0.298569  ?        ?         
1 1 1 58 34 1  f 0.89092  0.352994  0.816142     0.933221 1.72541      1.36802  0.0247281    1.27629  1.13381  0.432811  0.812934 0.367609  
1 1 1 58 34 2  o 3.82837  0.134155  15.1421      1.02719  15.7456      1.35895  14.3376      1.5689   3.85968  0.176044  3.63409  0.215858  
1 1 1 58 34 3  o 0.982686 0.349929  1.17003      0.868717 1.96865      1.13455  0.0383119    1.3506   1.20724  0.401563  0.830581 0.376738  
1 1 1 58 34 4  o 0.599262 0.279131  -0.457122    0.814504 0.316815     1.12096  -1.32277     1.18552  0.821502 0.359368  0.63066  0.30518   
1 1 1 58 34 5  o 2.11724  0.207284  4.84824      0.877741 4.7368       1.19323  4.97963      1.29572  2.01625  0.295904  2.04641  0.316582  
1 1 1 58 34 6  o 1.24756  0.339294  1.97049      0.868819 1.81143      1.16755  2.16786      1.30057  1.15327  0.406177  1.23458  0.429278  
1 1 1 58 34 7  o 3.0643   0.154292  9.8286       0.945595 10.1395      1.31864  9.49942      1.35672  3.04694  0.216387  2.93148  0.231406  
1 1 1 58 34 8  o 0.611957 0.282935  -0.343303    0.817179 -1.78369     1.1861   0.958185     1.12746  0.585564 0.288425  0.931426 0.380836  
1 1 1 58 34 9  o 0.887336 0.335419  0.93628      0.814988 0.867288     1.15444  1.00483      1.1507   0.904488 0.379038  0.932247 0.38355   
1 1 1 58 34 10 o 0.61215  0.281636  -0.241132    0.797241 -0.380781    1.12134  -0.0983848   1.1337   0.691548 0.323895  0.731912 0.336363  
1 1 1 58 34 11 o 0.791876 0.324153  0.639825     0.817768 0.144296     1.15264  1.14205      1.1604   0.762841 0.346611  0.939112 0.385565  
1 1 1 58 34 12 o 1.45345  0.306829  2.70486      0.864222 3.54753      1.24203  1.91394      1.20328  1.55164  0.398256  1.10449  0.409678  
1 1 1 58 34 13 o 1.99061  0.232671  4.56912      0.926312 3.70331      1.38138  5.27656      1.24866  1.51897  0.433331  2.04476  0.305332  
1 1 1 58 34 14 o 1.22234  0.336238  2.09911      0.847298 1.84183      1.19079  2.36295      1.20587  1.05577  0.403575  1.18454  0.413212  
1 1 1 58 34 15 o 1.6313   0.25788   3.30771      0.84136  3.13699      1.19217  3.47711      1.18757  1.35628  0.407155  1.46072  0.396419  
1 1 1 58 34 16 o 0.603046 0.281816  -0.129044    0.838898 1.15428      1.22316  -1.26883     1.15273  0.853801 0.37443   0.568077 0.280132  
1 1 1 58 34 17 o 0.675004 0.303137  0.296888     0.853198 0.225717     1.20827  0.367667     1.20494  0.720452 0.337216  0.738098 0.342139  
1 1 1 58 34 18 o 0.645711 0.299114  0.126455     0.918976 0.628952     1.23578  -0.495198    1.37451  0.751488 0.347633  0.655409 0.319845  
1 1 1 58 35 0  o 0.907968 0.512335  1.58635      1.40347  1.58635      1.40347  1.58635      1.40347  0.956679 0.456431  ?        ?         
1 1 1 58 35 1  o 2.57882  0.201008  7.17053      1.03673  7.25775      1.36454  7.05144      1.59447  2.52124  0.270609  2.4127   0.330432  
1 1 1 58 35 2  o 2.23294  0.209019  5.40945      0.933457 4.9638       1.19211  6.11573      1.50076  2.06701  0.288367  2.24057  0.334907  
1 1 1 58 35 3  o 1.03029  0.356769  1.34399      0.897535 2.00902      1.18126  0.435669     1.38052  1.20244  0.409745  0.885777 0.392331  
1 1 1 58 35 4  o 0.740254 0.319104  0.271607     0.858934 0.360445     1.13246  0.151282     1.31796  0.822794 0.36056   0.828524 0.374169  
1 1 1 58 35 5  o 0.639477 0.293411  -0.26403     0.858827 -0.685343    1.12664  0.320394     1.32692  0.669436 0.316225  0.84904  0.379745  
1 1 1 58 35 6  o 1.01569  0.349928  1.3443       0.862504 0.773536     1.23951  1.88009      1.20093  0.900579 0.385637  1.14111  0.410924  
1 1 1 58 35 7  o 0.578423 0.274736  -0.654579    0.860893 0.69121      1.24185  -1.89972     1.19451  0.87935  0.381433  0.573809 0.283487  
1 1 1 58 35 8  o 0.636778 0.290365  -0.145112    0.824843 0.709479     1.13069  -1.11726     1.20595  0.859351 0.368163  0.63589  0.307727  
1 1 1 58 35 9  f 1.36049  0.324538  2.42115      0.871957 2.2921       1.18243  2.57498      1.29097  1.2199   0.409949  1.26985  0.428351  
1 1 1 58 35 10 o 0.815639 0.32978   0.744454     0.834706 0.427932     1.18402  1.05719      1.17692  0.805723 0.359586  0.915305 0.383095  
1 1 1 58 35 11 o 1.13352  0.344564  1.79159      0.85024  0.676917     1.21174  2.87262      1.19331  0.846405 0.371922  1.36702  0.406739  
1 1 1 58 35 12 o 0.927154 0.347021  1.18089      0.867242 1.32228      1.28621  1.06303      1.17434  0.95583  0.400299  0.903753 0.380672  
1 1 1 58 35 13 o 0.708218 0.310318  0.385017     0.838667 0.722791     1.22559  0.0875684    1.15011  0.819848 0.365868  0.720301 0.334032  
1 1 1 58 35 14 o 0.540524 0.260605  -0.653216    0.839435 -1.19892     1.17403  -0.082437    1.2007   0.584035 0.287684  0.693455 0.327214  
1 1 1 58 35 15 o 0.511144 0.24999   -0.924923    0.853287 -1.25063     1.15439  -0.532627    1.26691  0.567603 0.280003  0.648685 0.314177  
1 1 1 58 35 16 o 1.008    0.352915  1.65455      0.880297 1.96016      1.22771  1.33118      1.26289  1.00767  0.403031  0.883442 0.383951  
1 1 1 58 35 17 o 0.810962 0.341875  1.06893      0.948483 0.0342618    1.35691  2.05749      1.32633  0.692499 0.333252  0.955877 0.403685  
1 1 1 58 36 0  f 0.607813 0.406488  0.120447     1.31367  0.120447     1.31367  0.120447     1.31367  0.534383 0.352477  ?        ?         
1 1 1 58 36 1  o 1.57751  0.330293  3.16035      1.0085   3.17669      1.4806   3.14621      1.37744  1.41516  0.458654  1.43791  0.43886   
1 1 1 58 36 2  o 1.51267  0.35192   3.00701      1.04559  4.20765      1.43063  1.63034      1.53192  1.70828  0.420911  1.06708  0.441219  
1 1 1 58 36 3  o 0.677679 0.313745  -0.280939    1.00923  0.538218     1.35991  -1.28521     1.50575  0.871781 0.387347  0.703364 0.341211  
1 1 1 58 36 4  o 0.671623 0.310167  -0.244404    0.97843  0.23039      1.31567  -0.831911    1.46353  0.817045 0.370993  0.729795 0.349954  
1 1 1 58 36 5  o 1.19677  0.374841  2.03171      0.996184 2.80834      1.40519  1.24701      1.41247  1.31478  0.446898  0.979487 0.415265  
1 1 1 58 36 6  o 1.02833  0.361023  1.46946      0.921744 2.27454      1.19785  0.300689     1.44327  1.2154   0.412613  0.837588 0.382658  
1 1 1 58 36 7  o 1.39293  0.337199  2.59638      0.930669 3.18127      1.20216  1.7215       1.47028  1.46762  0.399095  1.0481   0.432743  
1 1 1 58 36 8  o 0.826518 0.337588  0.766487     0.885004 0.69124      1.14411  0.878585     1.39644  0.843277 0.365956  0.900221 0.397184  
1 1 1 58 36 9  f 1.182    0.351241  1.96361      0.890267 1.52754      1.15808  2.59363      1.39201  1.01147  0.395366  1.23015  0.442465  
1 1 1 58 36 10 o 0.780463 0.330409  0.591581     0.892089 1.96584      1.20452  -1.078       1.32766  1.10379  0.409795  0.657173 0.319303  
1 1 1 58 36 11 o 0.825516 0.337701  0.85296      0.886968 1.21339      1.17491  0.375347     1.35248  0.914393 0.382744  0.796665 0.366653  
1 1 1 58 36 12 o 2.02578  0.242659  4.98196      0.983147 5.92172      1.39669  4.05902      1.38415  2.01146  0.360217  1.51298  0.434459  
1 1 1 58 36 13 o 0.647775 0.299951  0.0212393    0.922938 -0.00980906  1.32124  0.0508269    1.28979  0.714274 0.339779  0.716232 0.338338  
1 1 1 58 36 14 o 1.69931  0.304747  3.98328      0.99817  3.8          1.41722  4.1637       1.4061   1.36507  0.448808  1.46895  0.442422  
1 1 1 58 36 15 o 0.697197 0.315389  0.360812     0.940293 -0.834914    1.38425  1.38523      1.28126  0.645515 0.316354  0.883175 0.385293  
1 1 1 58 36 16 o 0.606722 0.285701  -0.0598275   0.906344 1.3439       1.42356  -1.01672     1.17534  0.821492 0.377273  0.56981  0.281437  
1 1 1 58 37 0  o 0.86603  0.501144  1.57074      1.38381  1.57074      1.38381  1.57074      1.38381  0.923964 0.451745  ?        ?         
1 1 1 58 37 1  o 2.04591  0.237591  4.80117      0.972178 5.22551      1.36144  4.35967      1.3887   1.97538  0.357748  1.72904  0.407729  
1 1 1 58 37 2  o 0.79056  0.336963  0.55075      0.93868  0.37436      1.28861  0.750164     1.37013  0.819362 0.370008  0.88544  0.391686  
1 1 1 58 37 3  o 0.663656 0.309688  -0.294551    1.00839  -2.52093     1.63156  1.08157      1.28272  0.638831 0.318309  0.929357 0.394944  
1 1 1 58 37 4  o 1.8396   0.276556  4.08574      1.0175   3.92956      1.55178  4.20353      1.34765  1.52007  0.466185  1.6927   0.403264  
1 1 1 58 37 5  f 0.640074 0.297822  -0.27516     0.924087 -1.4617      1.33791  0.807263     1.27786  0.63491  0.311111  0.877796 0.383847  
1 1 1 58 37 6  o 1.47682  0.332449  2.90369      0.958239 3.49809      1.25951  2.08679      1.47653  1.52524  0.405712  1.10674  0.442267  
1 1 1 58 37 7  o 1.01084  0.371347  1.48867      0.985015 1.4965       1.30395  1.47826      1.50326  0.996035 0.40879   0.990393 0.424412  
1 1 1 58 37 8  o 1.61854  0.306125  3.36881      0.95487  3.25244      1.24509  3.53498      1.4879   1.44304  0.411313  1.41658  0.45985   
1 1 1 58 37 9  o 0.593404 0.283806  -0.591027    0.946752 -1.42809     1.22263  0.662597     1.49625  0.593726 0.29244   0.846903 0.388039  
1 1 1 58 37 10 o 1.08329  0.377394  1.95072      1.0056   1.57511      1.31628  2.47724      1.55844  0.949778 0.401682  1.08141  0.445884  
1 1 1 58 37 11 o 0.679902 0.310053  0.192687     0.940889 0.522141     1.29127  -0.180227    1.3738   0.775098 0.35733   0.709155 0.339815  
1 1 1 58 37 12 o 1.83593  0.267305  4.34104      0.981507 4.17561      1.4398   4.48466      1.34153  1.45081  0.449886  1.60572  0.414885  
1 1 1 58 37 13 o 0.941371 0.354291  1.45365      0.906415 0.854011     1.33093  1.97235      1.23785  0.811223 0.369622  1.00593  0.40371   
1 1 1 58 37 14 o 0.787099 0.338512  0.88257      0.962351 1.3076       1.42226  0.523647     1.30698  0.854758 0.38721   0.753175 0.351891  
1 1 1 58 37 15 o 0.790773 0.331396  1.08407      0.882522 1.10782      1.31563  1.06463      1.18996  0.772827 0.357957  0.769611 0.350351  
1 1 1 58 38 0  o 0.52401  0.367708  -0.605349    1.37938  -0.605349    1.37938  -0.605349    1.37938  0.436773 0.307271  ?        ?         
1 1 1 58 38 1  o 1.24819  0.372983  2.27197      1.00201  1.08891      1.53811  3.14424      1.32071  0.936163 0.414451  1.39444  0.430571  
1 1 1 58 38 2  o 0.945475 0.359568  1.23598      0.941286 1.84869      1.38358  0.708038     1.28432  1.064    0.426896  0.858269 0.379501  
1 1 1 58 38 3  o 0.497671 0.246866  -1.61529     0.928969 -2.2318      1.36804  -1.08776     1.26547  0.587745 0.292661  0.643011 0.312206  
1 1 1 58 38 4  o 1.96209  0.247403  4.52517      0.970852 4.9636       1.42408  4.14446      1.32704  1.8398   0.398269  1.66649  0.40217   
1 1 1 58 38 5  o 2.19244  0.222305  5.49952      0.974781 4.67315      1.41615  6.2436       1.34379  1.75897  0.409783  2.22131  0.302478  
1 1 1 58 38 6  o 2.41778  0.204416  6.60661      0.988467 6.16952      1.40743  7.03206      1.38857  2.15407  0.326692  2.35442  0.294885  
1 1 1 58 38 7  o 1.19233  0.363379  2.1892       0.944824 1.68983      1.31916  2.7152       1.35388  0.985169 0.408518  1.20013  0.435897  
1 1 1 58 38 8  o 0.732015 0.321692  0.496113     0.906733 0.442836     1.27388  0.550826     1.29092  0.7721   0.355554  0.788106 0.36082   
1 1 1 58 38 9  o 0.703131 0.315065  0.36336      0.917138 0.139292     1.20091  0.676931     1.42066  0.716057 0.335342  0.804057 0.37225   
1 1 1 58 38 10 o 0.863251 0.346676  1.16943      0.913659 2.33578      1.23888  -0.221397    1.35285  1.0839   0.412424  0.69292  0.333284  
1 1 1 58 38 11 o 1.04705  0.358945  1.81822      0.906564 1.272        1.21953  2.49287      1.35535  0.870206 0.377737  1.08491  0.426808  
1 1 1 58 38 12 o 1.1411   0.367112  2.17976      0.94983  2.50684      1.33683  1.84632      1.34979  1.08716  0.424819  0.955158 0.405499  
1 1 1 58 38 13 o 1.36358  0.350114  2.98322      0.959641 0.418028     1.35298  5.5802       1.36134  0.727451 0.344998  1.82228  0.385392  
1 1 1 58 38 14 o 1.13679  0.378309  2.55667      1.00696  1.26344      1.41592  3.88007      1.43234  0.779336 0.364824  1.20918  0.44728   
1 1 1 58 39 0  o 0.857974 0.49358   1.66659      1.33164  1.66659      1.33164  1.66659      1.33164  0.944331 0.445254  ?        ?         
1 1 1 58 39 1  o 0.737911 0.325371  0.423134     0.93515  0.218398     1.30523  0.639077     1.34048  0.767674 0.355942  0.825771 0.374827  
1 1 1 58 39 2  o 1.21687  0.355549  2.21081      0.919177 2.09315      1.27486  2.33819      1.3265   1.08147  0.41644   1.12729  0.427393  
1 1 1 58 39 3  o 0.889771 0.352852  1.16706      0.933231 0.567728     1.30092  1.80247      1.3395   0.801618 0.365296  1.00156  0.41324   
1 1 1 58 39 4  o 0.627355 0.294262  -0.208053    0.938062 -0.70382     1.33612  0.273859     1.31732  0.664945 0.322212  0.759836 0.354334  
1 1 1 58 39 5  o 0.625794 0.293568  -0.196288    0.934754 -0.519581    1.36609  0.0883444    1.28181  0.682644 0.329861  0.728908 0.34227   
1 1 1 58 39 6  o 0.528254 0.259091  -1.0631      0.931587 -2.1326      1.35289  -0.0987291   1.28468  0.564605 0.282302  0.704353 0.335053  
1 1 1 58 39 7  o 1.11839  0.375402  2.12502      0.991538 0.522965     1.45795  3.50368      1.35248  0.783235 0.367283  1.3422   0.438436  
1 1 1 58 39 8  o 0.807644 0.345678  0.942714     0.995127 0.756864     1.47799  1.09683      1.34591  0.800322 0.374029  0.83817  0.378342  
1 1 1 58 39 9  f 0.573323 0.277642  -0.698289    0.988208 -2.02385     1.39171  0.649723     1.40344  0.572905 0.286453  0.788099 0.366824  
1 1 1 58 39 10 o 0.909531 0.363833  1.39957      1.00073  2.47031      1.40484  0.296512     1.42589  1.06506  0.428982  0.750138 0.355008  
1 1 1 58 39 11 o 0.925331 0.363372  1.53696      0.980747 0.851405     1.401    2.19575      1.37338  0.788858 0.366917  0.986957 0.413501  
1 1 1 58 39 12 o 0.883601 0.364176  1.62166      1.0392   1.37207      1.42505  1.90514      1.51871  0.796476 0.370304  0.851788 0.390554  
1 1 1 58 40 0  o 0.413518 0.302583  -1.75092     1.32571  -1.75092     1.32571  -1.75092     1.32571  0.327384 0.241493  ?        ?         
1 1 1 58 40 1  o 0.925197 0.354427  1.37973      0.920047 1.76925      1.30281  0.992187     1.29949  0.965559 0.403526  0.83643  0.374908  
1 1 1 58 40 2  o 1.55184  0.319113  3.3827       0.956464 1.67841      1.3191   5.27212      1.38889  0.944533 0.400919  1.8121   0.394224  
1 1 1 58 40 3  o 0.774463 0.336524  0.745099     0.969822 1.49224      1.32336  -0.121696    1.42539  0.908489 0.393908  0.715755 0.343739  
1 1 1 58 40 4  o 0.810781 0.343082  0.945179     0.961087 0.369239     1.33302  1.56866      1.38695  0.749881 0.351561  0.911587 0.399249  
1 1 1 58 40 5  o 0.525835 0.25795   -0.998699    0.924084 -0.532824    1.30657  -1.46498     1.30713  0.654682 0.317673  0.585969 0.290982  
1 1 1 58 40 6  o 0.825264 0.342215  1.01324      0.925724 1.14026      1.31358  0.88792      1.30481  0.847381 0.378447  0.811514 0.368741  
1 1 1 58 40 7  o 1.50983  0.338886  3.35065      0.998098 2.30845      1.33495  4.67174      1.50299  1.05827  0.421279  1.55473  0.454775  
1 1 1 58 40 8  o 1.7203   0.315235  4.1746       1.04417  3.8005       1.49167  4.53404      1.46213  1.31253  0.459414  1.51957  0.449839  
1 1 1 58 40 9  o 0.714648 0.326086  0.479677     1.04396  -0.907805    1.42655  2.07953      1.53184  0.63319  0.312095  0.93647  0.414221  
1 1 1 58 40 10 o 0.871181 0.364915  1.56995      1.06921  2.41041      1.47011  0.626113     1.55789  0.933767 0.409988  0.728506 0.352063  
1 1 1 58 41 0  o 0.7581   0.476963  1.41916      1.48187  1.41916      1.48187  1.41916      1.48187  0.798602 0.445816  ?        ?         
1 1 1 58 41 1  o 0.926845 0.364064  1.44881      0.984735 0.328541     1.41412  2.50346      1.37208  0.755399 0.35605   1.08652  0.428801  
1 1 1 58 41 2  o 1.06412  0.370227  1.92885      0.967493 1.42284      1.36054  2.44648      1.37608  0.893921 0.393442  1.07555  0.427856  
1 1 1 58 41 3  o 1.0457   0.368489  1.85888      0.961052 1.12607      1.36     2.58983      1.35826  0.849959 0.382171  1.111    0.429424  
1 1 1 58 41 4  o 0.950633 0.361398  1.5348       0.950603 0.660294     1.37294  2.34008      1.31748  0.784702 0.364305  1.05914  0.419491  
1 1 1 58 41 5  f 0.620716 0.293556  -0.196316    0.973472 1.14991      1.38718  -1.50261     1.36645  0.837999 0.380622  0.593062 0.294916  
1 1 1 58 41 6  o 0.560318 0.272323  -0.690666    0.966956 -2.60157     1.31409  1.56579      1.42797  0.518102 0.261917  0.879326 0.393598  
1 1 1 58 41 7  f 0.853028 0.359954  1.37797      1.05311  2.01618      1.46535  0.696217     1.5145   0.904235 0.401886  0.751501 0.359307  
1 1 1 58 41 8  o 0.670197 0.313778  0.391126     1.04875  0.194381     1.41762  0.628982     1.55871  0.67878  0.329846  0.720556 0.348899  
1 1 1 58 42 0  o 0.475579 0.340191  -0.669892    1.33429  -0.669892    1.33429  -0.669892    1.33429  0.40108  0.286714  ?        ?         
1 1 1 58 42 1  o 0.928787 0.360811  1.59949      0.961421 0.704178     1.38081  2.44195      1.33944  0.755255 0.354767  1.01617  0.415226  
1 1 1 58 42 2  o 0.671439 0.308059  0.344152     0.946566 0.263046     1.33724  0.425601     1.34006  0.702708 0.336372  0.718581 0.342     
1 1 1 58 42 3  o 0.581321 0.279807  -0.331569    0.957787 0.641589     1.35823  -1.29416     1.35083  0.732382 0.346547  0.579979 0.289075  
1 1 1 58 42 4  o 0.557528 0.270821  -0.488808    0.954074 0.482296     1.36346  -1.42049     1.3355   0.703032 0.337279  0.561585 0.280793  
1 1 1 58 42 5  o 0.601866 0.289977  -0.188371    1.03483  -0.940625    1.48619  0.519586     1.44177  0.609626 0.303762  0.706969 0.341022  
1 1 1 59 0  0  o 0.732847 0.420438  0.719039     0.963237 0.719039     0.963237 0.719039     0.963237 0.697639 0.368873  ?        ?         
1 1 1 59 0  1  o 0.745063 0.37446   0.831882     0.679625 0.831882     0.679625 0.831882     0.679625 0.766804 0.317097  ?        ?         
1 1 1 59 0  2  o 2.22451  0.163112  5.04043      0.716721 5.04043      0.716721 5.04043      0.716721 2.235    0.114056  ?        ?         
1 1 1 59 0  3  o 8.07239  0.10381   65.2655      1.67536  65.2655      1.67536  65.2655      1.67536  8.07555  0.0733619 ?        ?         
1 1 1 59 0  4  o 6.28637  0.0976189 39.5849      1.22667  39.5849      1.22667  39.5849      1.22667  6.28902  0.0689791 ?        ?         
1 1 1 59 0  5  o 3.59363  0.114717  12.9709      0.822595 12.9709      0.822595 12.9709      0.822595 3.59759  0.080933  ?        ?         
1 1 1 59 0  6  o 0.81342  0.392196  0.99046      0.734635 0.99046      0.734635 0.99046      0.734635 0.850528 0.32525   ?        ?         
1 1 1 59 0  7  o 1.5998   0.239819  2.73861      0.71552  2.73861      0.71552  2.73861      0.71552  1.63003  0.158647  ?        ?         
1 1 1 59 0  8  o 3.89752  0.109349  15.247       0.850859 15.247       0.850859 15.247       0.850859 3.90114  0.0771799 ?        ?         
1 1 1 59 0  9  o 1.03874  0.365795  1.4308       0.688267 1.4308       0.688267 1.4308       0.688267 1.11926  0.249196  ?        ?         
1 1 1 59 0  10 o 3.736    0.124886  14.0322      0.930789 14.0322      0.930789 14.0322      0.930789 3.741    0.0880769 ?        ?         
1 1 1 59 0  11 o 2.20596  0.204855  5.01811      0.885891 5.01811      0.885891 5.01811      0.885891 2.22358  0.142192  ?        ?         
1 1 1 59 0  12 o 1.86395  0.231052  3.65693      0.831498 3.65693      0.831498 3.65693      0.831498 1.88944  0.158139  ?        ?         
1 1 1 59 0  13 o 8.58015  0.137207  73.8877      2.35316  73.8877      2.35316  73.8877      2.35316  8.58797  0.0969038 ?        ?         
1 1 1 59 0  14 o 0.807583 0.399827  0.988522     0.770315 0.988522     0.770315 0.988522     0.770315 0.838944 0.335978  ?        ?         
1 1 1 59 0  15 f 0.556658 0.349938  0.210532     0.795669 0.210532     0.795669 0.210532     0.795669 0.487717 0.301094  ?        ?         
1 1 1 59 0  16 o 5.87096  0.135191  34.6354      1.58551  34.6354      1.58551  34.6354      1.58551  5.87803  0.0954221 ?        ?         
1 1 1 59 0  17 o 5.20445  0.125014  27.2146      1.29956  27.2146      1.29956  27.2146      1.29956  5.21061  0.0882354 ?        ?         
1 1 1 59 0  18 o 5.24806  0.130666  27.6875      1.36956  27.6875      1.36956  27.6875      1.36956  5.25494  0.0922085 ?        ?         
1 1 1 59 0  19 o 2.27983  0.203913  5.3718       0.912671 5.3718       0.912671 5.3718       0.912671 2.29931  0.141566  ?        ?         
1 1 1 59 0  20 o 3.8103   0.142125  14.6537      1.07966  14.6537      1.07966  14.6537      1.07966  3.81919  0.100103  ?        ?         
1 1 1 59 0  21 o 2.29186  0.234692  5.49517      1.04991  5.49517      1.04991  5.49517      1.04991  2.31889  0.161889  ?        ?         
1 1 1 59 0  22 o 1.14518  0.457847  1.89596      1.01203  1.89596      1.01203  1.89596      1.01203  1.25002  0.332089  ?        ?         
1 1 1 59 0  23 o 0.444591 0.312199  -0.843505    0.997862 -0.843505    0.997862 -0.843505    0.997862 0.346967 0.248012  ?        ?         
1 1 1 59 0  24 o 3.17037  0.194882  10.3055      1.225    10.3055      1.225    10.3055      1.225    3.19055  0.136311  ?        ?         
1 1 1 59 0  25 o 2.03433  0.303752  4.53405      1.15324  4.53405      1.15324  4.53405      1.15324  2.08583  0.19968   ?        ?         
1 1 1 59 0  26 o 1.59723  0.398559  3.11472      1.1003   3.11472      1.1003   3.11472      1.1003   1.69521  0.244292  ?        ?         
1 1 1 59 0  27 o 1.08614  0.485037  1.87111      1.11182  1.87111      1.11182  1.87111      1.11182  1.19281  0.376163  ?        ?         
1 1 1 59 0  28 o 2.42569  0.256235  6.30433      1.21136  6.30433      1.21136  6.30433      1.21136  2.4698   0.175441  ?        ?         
1 1 1 59 0  29 o 2.00082  0.304883  4.49529      1.13496  4.49529      1.13496  4.49529      1.13496  2.06548  0.198484  ?        ?         
1 1 1 59 0  30 o 0.662032 0.416317  0.522087     1.12729  0.522087     1.12729  0.522087     1.12729  0.610309 0.367754  ?        ?         
1 1 1 59 0  31 o 1.34165  0.482228  2.71748      1.18089  2.71748      1.18089  2.71748      1.18089  1.50872  0.313939  ?        ?         
1 1 1 59 0  32 o 1.1459   0.497768  2.29361      1.17139  2.29361      1.17139  2.29361      1.17139  1.31694  0.364085  ?        ?         
1 1 1 59 0  33 o 0.568674 0.384412  0.0347701    1.23561  0.0347701    1.23561  0.0347701    1.23561  0.498125 0.33272   ?        ?         
1 1 1 59 0  34 o 0.765401 0.47239   1.36845      1.38414  1.36845      1.38414  1.36845      1.38414  0.807681 0.437833  ?        ?         
1 1 1 59 0  35 o 0.459599 0.332737  -1.28443     1.43626  -1.28443     1.43626  -1.28443     1.43626  0.375152 0.272391  ?        ?         
1 1 1 59 1  0  f 4.64956  0.098796  21.669       0.91778  21.669       0.91778  21.669       0.91778  4.65229  0.0697826 ?        ?         
1 1 1 59 1  1  o 1.51145  0.160782  2.29644      0.486026 1.69486      0.684529 2.90803      0.690197 1.26773  0.277592  1.69823  0.20321   
1 1 1 59 1  2  o 2.70366  0.0964266 7.32364      0.52141  7.55322      0.740982 7.09845      0.733839 2.74324  0.135056  2.65916  0.137983  
1 1 1 59 1  3  o 3.48674  0.0799081 12.1733      0.557238 11.5282      0.781058 12.8421      0.79524  3.39072  0.115176  3.57907  0.111096  
1 1 1 59 1  4  o 4.01486  0.0766457 16.1388      0.615443 17.6428      0.88311  14.7186      0.858161 4.19553  0.105244  3.8315   0.111988  
1 1 1 59 1  5  o 5.84487  0.0718189 34.2         0.839545 34.7292      1.1871   33.6704      1.18749  5.88685  0.100826  5.79622  0.102437  
1 1 1 59 1  6  o 7.02401  0.0762961 49.3997      1.07181  48.3442      1.49701  50.5098      1.53524  6.9442   0.107789  7.09797  0.108146  
1 1 1 59 1  7  o 3.30005  0.090084  10.9105      0.594564 11.3039      0.800927 10.4276      0.887384 3.35669  0.119303  3.22223  0.137697  
1 1 1 59 1  8  o 4.75083  0.0764242 22.602       0.726156 23.27        1.06539  22.0224      0.992376 4.81683  0.11059   4.68651  0.105876  
1 1 1 59 1  9  o 6.5956   0.081469  43.5757      1.07467  44.102       1.55454  43.0941      1.48732  6.62935  0.117247  6.55389  0.113469  
1 1 1 59 1  10 o 5.66607  0.0834387 32.1657      0.945539 31.9287      1.40151  32.3637      1.28099  5.63872  0.124276  5.67909  0.112781  
1 1 1 59 1  11 f 1.96712  0.145494  3.89308      0.572409 4.9069       0.777003 2.68988      0.846469 2.20542  0.176158  1.62444  0.260542  
1 1 1 59 1  12 o 7.9435   0.0954484 63.273       1.51639  64.05        2.01267  62.2528      2.30616  7.98401  0.126044  7.86458  0.146617  
1 1 1 59 1  13 o 4.36957  0.0868165 19.1392      0.758702 19.4815      1.113    18.8421      1.03696  4.4024   0.126408  4.3307   0.119722  
1 1 1 59 1  14 o 2.61575  0.117655  6.87504      0.615511 6.35801      0.843428 7.46412      0.900279 2.50912  0.168072  2.71903  0.165551  
1 1 1 59 1  15 o 3.04571  0.107019  9.31453      0.6519   8.00782      0.923387 10.613       0.920471 2.81614  0.163946  3.24597  0.141787  
1 1 1 59 1  16 o 3.37367  0.101537  11.4251      0.685107 11.168       0.958811 11.6933      0.979289 3.32901  0.144008  3.40646  0.14374   
1 1 1 59 1  17 o 2.91259  0.114628  8.52751      0.667729 7.99139      0.937801 9.07878      0.950958 2.81135  0.166788  2.9981   0.158594  
1 1 1 59 1  18 o 4.64852  0.0898978 21.6842      0.835783 22.5348      1.19983  20.8824      1.1649   4.73058  0.126816  4.55356  0.127911  
1 1 1 59 1  19 o 2.17801  0.148341  4.79615      0.646176 4.74502      0.914597 4.84711      0.913068 2.15417  0.212286  2.17781  0.209629  
1 1 1 59 1  20 f 4.55891  0.0939308 20.8834      0.856443 21.8988      1.23475  19.9421      1.18894  4.65731  0.13256   4.44398  0.133769  
1 1 1 59 1  21 o 1.22475  0.283373  1.62849      0.680889 1.19077      0.951265 2.08835      0.97502  1.07633  0.367699  1.37005  0.353561  
1 1 1 59 1  22 o 0.726125 0.299416  0.22244      0.702799 0.0654836    0.976868 0.390846     1.01187  0.794828 0.341418  0.875552 0.359854  
1 1 1 59 1  23 o 1.67102  0.22357   2.89202      0.747179 2.72162      1.07337  3.0522       1.04073  1.55527  0.353066  1.66251  0.324576  
1 1 1 59 1  24 o 1.57892  0.256705  2.61766      0.810635 1.89973      1.14018  3.3515       1.15275  1.28976  0.40043   1.72999  0.34539   
1 1 1 59 1  25 o 1.32142  0.310253  1.9535       0.80682  1.36657      1.13952  2.54352      1.14252  1.13045  0.400954  1.47904  0.383216  
1 1 1 59 1  26 o 0.60188  0.278158  -0.521937    0.78873  -1.14891     1.07852  0.19888      1.15642  0.641048 0.30571   0.863188 0.371151  
1 1 1 59 1  27 o 1.49506  0.276988  2.4884       0.797117 1.73365      1.11242  3.28489      1.14278  1.20521  0.397628  1.67455  0.352329  
1 1 1 59 1  28 o 1.05999  0.340006  1.30287      0.815191 1.53099      1.1038   1.02915      1.20909  1.13644  0.395442  1.02017  0.402556  
1 1 1 59 1  29 o 2.55897  0.162968  6.80616      0.83406  7.28677      1.21355  6.37589      1.14824  2.59685  0.233658  2.42686  0.236569  
1 1 1 59 1  30 o 1.91252  0.212399  3.95579      0.812434 4.26048      1.16999  3.67207      1.12902  1.90806  0.306591  1.72961  0.338449  
1 1 1 59 1  31 o 1.21934  0.329539  1.87399      0.822774 1.34205      1.15277  2.42636      1.17469  1.02748  0.395926  1.31908  0.405824  
1 1 1 59 1  32 o 0.64386  0.295882  -0.187353    0.877111 -0.730217    1.21904  0.395347     1.26297  0.673977 0.322269  0.821548 0.368886  
1 1 1 59 1  33 o 0.677454 0.30746   0.0438728    0.901225 -1.01732     1.30284  1.01759      1.24798  0.655706 0.317872  0.900095 0.386241  
1 1 1 59 1  34 o 1.17361  0.37188   2.27591      0.977384 2.56107      1.40496  2.00849      1.36057  1.09997  0.433972  1.00047  0.414873  
1 1 1 59 1  35 o 0.7792   0.341709  0.834455     1.01869  0.557629     1.4252   1.12362      1.45661  0.764456 0.359477  0.829985 0.381364  
1 1 1 59 2  0  o 1.90856  0.207048  3.78514      0.769086 3.78514      0.769086 3.78514      0.769086 1.92784  0.142848  ?        ?         
1 1 1 59 2  1  o 8.24089  0.0740452 67.9905      1.2204   67.8404      1.69943  68.1503      1.75365  8.22738  0.103279  8.24559  0.106338  
1 1 1 59 2  2  o 2.56016  0.102614  6.56901      0.525416 7.28068      0.74852  5.87776      0.737699 2.69282  0.138984  2.41852  0.152511  
1 1 1 59 2  3  o 6.29743  0.0714908 39.7011      0.900417 39.2         1.28569  40.1835      1.26142  6.25396  0.10279   6.33237  0.099601  
1 1 1 59 2  4  o 7.68104  0.0737721 59.0687      1.13329  59.5812      1.60869  58.5636      1.59682  7.70976  0.104328  7.64362  0.104454  
1 1 1 59 2  5  o 8.79591  0.0798374 77.4791      1.40449  79.0102      2.01853  76.0423      1.95546  8.87591  0.113708  8.70792  0.112281  
1 1 1 59 2  6  o 4.9011   0.0727179 24.0504      0.712796 23.0543      1.00576  25.0556      1.01035  4.79536  0.104868  4.99962  0.101043  
1 1 1 59 2  7  o 1.66849  0.152576  2.79963      0.509142 3.25363      0.711847 2.32413      0.728514 1.79522  0.198262  1.51388  0.240611  
1 1 1 59 2  8  o 5.01624  0.0807253 25.2049      0.809875 24.5446      1.0917   26.013       1.20775  4.94654  0.11035   5.09113  0.118613  
1 1 1 59 2  9  o 3.98471  0.0875912 15.9114      0.698051 16.119       0.980697 15.6981      0.993819 4.00669  0.122382  3.9536   0.125685  
1 1 1 59 2  10 o 1.79051  0.159387  3.22921      0.570767 3.44242      0.805311 3.01401      0.809075 1.84293  0.218487  1.72266  0.234834  
1 1 1 59 2  11 o 0.8565   0.274968  0.735087     0.533066 1.19746      0.733752 0.218286     0.775736 1.0703   0.319043  0.766412 0.315052  
1 1 1 59 2  12 o 5.04123  0.0797151 25.465       0.803725 24.4919      1.05516  26.81        1.24048  4.93996  0.106798  5.16599  0.120062  
1 1 1 59 2  13 o 5.6335   0.0826887 31.8098      0.931653 32.2744      1.33588  31.3698      1.29996  5.6676   0.117853  5.58795  0.116318  
1 1 1 59 2  14 o 1.65209  0.177484  2.76042      0.58644  1.8138       0.789151 3.92792      0.876397 1.29952  0.307951  1.96425  0.223088  
1 1 1 59 2  15 o 0.929419 0.283453  0.89506      0.574765 0.223314     0.820324 1.54284      0.805559 0.783058 0.323271  1.19909  0.326973  
1 1 1 59 2  16 o 1.63181  0.186687  2.69909      0.609273 2.28256      0.886036 3.07272      0.839157 1.45677  0.313106  1.73315  0.24209   
1 1 1 59 2  17 o 2.60201  0.125078  6.81312      0.650908 5.80775      0.950511 7.70092      0.893204 2.39077  0.198787  2.76038  0.16179   
1 1 1 59 2  18 o 2.72839  0.121052  7.49716      0.660553 6.93838      0.933197 8.05825      0.935131 2.61403  0.178498  2.82003  0.165801  
1 1 1 59 2  19 o 2.79176  0.122885  7.85405      0.686133 7.88137      0.976378 7.82739      0.964411 2.78557  0.175256  2.7764   0.17368   
1 1 1 59 2  20 o 1.54671  0.216179  2.45624      0.668733 2.6586       0.954665 2.26128      0.937042 1.56165  0.316698  1.43263  0.333058  
1 1 1 59 2  21 o 1.31817  0.268257  1.87193      0.682658 3.1193       0.962239 0.607906     0.968642 1.72578  0.278784  0.915518 0.360612  
1 1 1 59 2  22 o 3.02735  0.128805  9.26546      0.779877 8.6608       1.06427  9.96668      1.1461   2.91082  0.182812  3.1223   0.183535  
1 1 1 59 2  23 f 1.34725  0.298048  2.00183      0.781712 1.14599      1.1379   2.76673      1.07574  1.08034  0.398856  1.56612  0.352028  
1 1 1 59 2  24 o 1.28348  0.308444  1.83189      0.783109 0.727685     1.13078  2.84957      1.08557  0.975446 0.387909  1.58812  0.35114   
1 1 1 59 2  25 o 1.69508  0.228137  3.00442      0.77342  2.23222      1.08608  3.79892      1.10165  1.38378  0.380693  1.87971  0.293036  
1 1 1 59 2  26 o 2.56877  0.16469   6.7801       0.846102 6.51064      1.16255  7.08359      1.23376  2.48404  0.234005  2.58852  0.238313  
1 1 1 59 2  27 o 2.06144  0.19765   4.44774      0.81489  4.45732      1.08821  4.43552      1.22955  2.02605  0.268554  1.9964   0.307941  
1 1 1 59 2  28 o 2.86062  0.149583  8.42383      0.855801 8.90142      1.18752  7.90777      1.23441  2.90449  0.204428  2.72121  0.226813  
1 1 1 59 2  29 o 1.06189  0.336475  1.35827      0.80014  2.01954      1.17671  0.789564     1.09125  1.24396  0.408955  0.925418 0.375908  
1 1 1 59 2  30 o 1.67786  0.243095  3.12451      0.81576  2.06098      1.10612  4.39276      1.2079   1.23776  0.395961  1.92806  0.313241  
1 1 1 59 2  31 o 0.847199 0.331403  0.782164     0.813991 1.61655      1.11993  -0.152226    1.18515  1.08229  0.396122  0.748475 0.343948  
1 1 1 59 2  32 o 1.06826  0.358519  1.61905      0.904362 0.392228     1.25133  2.96055      1.3085   0.811596 0.36566   1.35739  0.430304  
1 1 1 59 2  33 o 1.92561  0.262361  4.52298      1.01041  4.27792      1.37548  4.81022      1.48916  1.63673  0.41852   1.71518  0.43363   
1 1 1 59 2  34 o 1.00753  0.367736  1.75855      0.9646   1.43794      1.38116  2.06384      1.34775  0.886309 0.392513  0.994978 0.412774  
1 1 1 59 2  35 o 0.663764 0.312167  0.179048     1.07543  -1.43647     1.45949  2.09817      1.59073  0.593552 0.29649   0.898924 0.408108  
1 1 1 59 3  0  o 5.7066   0.0967552 32.6271      1.10357  32.6271      1.10357  32.6271      1.10357  5.70932  0.0683615 ?        ?         
1 1 1 59 3  1  o 5.04755  0.0692749 25.505       0.699337 25.2448      0.985231 25.7691      0.992838 5.01908  0.0981486 5.07096  0.0978944 
1 1 1 59 3  2  o 4.67098  0.0730318 21.8442      0.682261 22.5168      0.995261 21.2479      0.937089 4.73935  0.105     4.60423  0.101764  
1 1 1 59 3  3  o 7.78849  0.0741455 60.7365      1.15496  61.9895      1.64409  59.5156      1.62284  7.86359  0.104538  7.70494  0.105312  
1 1 1 59 3  4  o 4.25416  0.0762114 18.1224      0.648431 18.6476      0.926013 17.6171      0.908283 4.31251  0.107364  4.19156  0.108347  
1 1 1 59 3  5  f 3.53339  0.081084  12.5046      0.573003 12.5308      0.799201 12.4768      0.821977 3.53447  0.113058  3.52652  0.116542  
1 1 1 59 3  6  o 2.67859  0.102962  7.19384      0.551587 6.24086      0.767557 8.21156      0.793199 2.49082  0.154077  2.85874  0.138732  
1 1 1 59 3  7  o 4.73761  0.07975   22.4824      0.75565  24.2802      1.07705  20.7396      1.06045  4.91982  0.10946   4.54603  0.116635  
1 1 1 59 3  8  o 4.37619  0.0875214 19.1916      0.766021 18.968       1.09385  19.4068      1.07309  4.34582  0.12585   4.39636  0.122043  
1 1 1 59 3  9  o 4.83012  0.0857471 23.3792      0.828339 24.1877      1.22625  22.7007      1.12339  4.90722  0.124943  4.7551   0.118125  
1 1 1 59 3  10 f 1.91419  0.151626  3.6893       0.580484 3.44051      0.88782  3.87508      0.767187 1.839    0.241387  1.95738  0.195973  
1 1 1 59 3  11 o 3.12332  0.104274  9.78833      0.651363 9.58035      0.942547 9.97846      0.901179 3.08387  0.152819  3.14871  0.143103  
1 1 1 59 3  12 o 1.38383  0.193942  1.93898      0.536766 1.2251       0.736019 2.75003      0.784504 1.07907  0.319081  1.64261  0.238798  
1 1 1 59 3  13 o 4.40529  0.0850113 19.4572      0.748999 20.3794      1.07361  18.5828      1.04544  4.50276  0.119217  4.29927  0.121584  
1 1 1 59 3  14 o 2.71465  0.113158  7.40312      0.61437  6.62984      0.830364 8.33846      0.913238 2.56272  0.162008  2.87456  0.158848  
1 1 1 59 3  15 o 2.54582  0.122706  6.51814      0.624775 6.38959      0.876012 6.65122      0.891316 2.5133   0.174275  2.56432  0.173792  
1 1 1 59 3  16 o 1.2943   0.239769  1.76521      0.59735  1.94477      0.825786 1.56812      0.865149 1.34293  0.312958  1.20684  0.342502  
1 1 1 59 3  17 o 2.78263  0.117265  7.7901       0.652609 7.55377      0.958238 7.99454      0.891255 2.72982  0.175513  2.81184  0.158483  
1 1 1 59 3  18 o 0.98735  0.298914  1.03111      0.640742 1.38481      0.955196 0.741764     0.863951 1.14381  0.368164  0.930037 0.346706  
1 1 1 59 3  19 o 1.30375  0.253765  1.81345      0.63808  2.32048      0.914635 1.33271      0.890608 1.45646  0.32255   1.11756  0.355076  
1 1 1 59 3  20 o 2.03781  0.165839  4.21962      0.675899 4.05019      0.950851 4.39267      0.960959 1.97928  0.240202  2.06329  0.23287   
1 1 1 59 3  21 f 1.09309  0.299141  1.30371      0.672767 0.947342     0.945557 1.66908      0.957425 1.00017  0.364182  1.22722  0.364161  
1 1 1 59 3  22 o 2.28024  0.161076  5.29396      0.734582 5.2748       1.03393  5.3135       1.04385  2.25563  0.22919   2.2634   0.230594  
1 1 1 59 3  23 o 2.04479  0.197678  4.30455      0.808421 4.29536      1.18558  4.31255      1.10521  2.00746  0.295293  2.02036  0.273518  
1 1 1 59 3  24 o 0.819001 0.323905  0.482547     0.784422 0.487144     1.1339   0.478328     1.08631  0.921405 0.380193  0.906513 0.372763  
1 1 1 59 3  25 o 0.986904 0.331714  1.03999      0.774188 0.553177     1.09313  1.52991      1.09661  0.918986 0.375245  1.16819  0.394792  
1 1 1 59 3  26 o 1.09856  0.336453  1.38442      0.808653 1.06538      1.10726  1.74909      1.18379  1.02766  0.390228  1.21514  0.410184  
1 1 1 59 3  27 o 1.24379  0.327192  1.81333      0.824901 1.57472      1.10574  2.11277      1.23872  1.15155  0.39626   1.30052  0.419324  
1 1 1 59 3  28 o 2.12851  0.191271  4.76102      0.814245 5.14391      1.13702  4.35796      1.16658  2.1665   0.262409  1.9708   0.295966  
1 1 1 59 3  29 o 0.756164 0.315874  0.358445     0.797745 0.175861     1.13961  0.533883     1.11709  0.811866 0.358425  0.870599 0.369211  
1 1 1 59 3  30 o 1.02768  0.338056  1.31546      0.80407  2.47803      1.10963  0.0300459    1.16678  1.35961  0.388538  0.783427 0.353022  
1 1 1 59 3  31 o 1.75589  0.247178  3.52856      0.868036 3.63109      1.2092   3.41955      1.24684  1.63128  0.377764  1.55237  0.399371  
1 1 1 59 3  32 f 0.778442 0.330432  0.556166     0.896091 -0.168073    1.28873  1.23408      1.24684  0.742527 0.347675  0.949703 0.395692  
1 1 1 59 3  33 o 0.75079  0.328637  0.563989     0.938634 0.901956     1.27669  0.16639      1.38474  0.838728 0.373879  0.755244 0.35491   
1 1 1 59 3  34 o 0.662757 0.30829   0.0550511    0.98931  -0.208947    1.36203  0.349878     1.43936  0.69652  0.334868  0.759661 0.358397  
1 1 1 59 3  35 o 0.559367 0.276124  -0.874754    1.12737  -0.182675    1.45241  -1.92376     1.78813  0.653479 0.32147   0.599671 0.303178  
1 1 1 59 4  0  o 1.6624   0.228245  2.93237      0.727157 2.93237      0.727157 2.93237      0.727157 1.68906  0.155222  ?        ?         
1 1 1 59 4  1  o 3.56774  0.0811003 12.7486      0.57869  13.4056      0.835273 12.1423      0.802494 3.65571  0.114242  3.4791   0.115331  
1 1 1 59 4  2  o 3.99272  0.0798209 15.9661      0.637404 16.509       0.918553 15.4618      0.885222 4.05692  0.113208  3.92619  0.112733  
1 1 1 59 4  3  o 6.37307  0.0763258 40.6737      0.97286  40.9363      1.34785  40.3881      1.40563  6.3895   0.105473  6.3457   0.110755  
1 1 1 59 4  4  o 6.13753  0.0737853 37.7205      0.905719 36.3204      1.23441  39.3533      1.33303  6.01876  0.102547  6.26439  0.106397  
1 1 1 59 4  5  o 8.30591  0.0816982 69.1072      1.35716  68.9307      1.90277  69.29        1.93629  8.28842  0.114785  8.30958  0.11651   
1 1 1 59 4  6  o 4.27133  0.0864808 18.281       0.738777 17.9821      1.0871   18.5376      1.00706  4.23121  0.128463  4.29766  0.117164  
1 1 1 59 4  7  o 3.75459  0.0937341 14.1316      0.703867 15.1397      1.01608  13.2014      0.975969 3.88178  0.130878  3.62429  0.134643  
1 1 1 59 4  8  o 7.59227  0.079033  57.7464      1.20008  57.2129      1.77046  58.1999      1.63229  7.54907  0.117264  7.61637  0.107156  
1 1 1 59 4  9  o 2.69057  0.108357  7.26461      0.583085 7.15844      0.903326 7.34044      0.763428 2.66412  0.169535  2.70129  0.141308  
1 1 1 59 4  10 o 2.06925  0.138895  4.30762      0.574817 4.45821      0.91364  4.20896      0.739521 2.09583  0.217967  2.04105  0.181161  
1 1 1 59 4  11 o 1.15919  0.241125  1.41882      0.540495 1.628        0.829395 1.26441      0.712586 1.23206  0.329914  1.09223  0.311116  
1 1 1 59 4  12 o 3.12426  0.106669  9.80051      0.666524 8.78518      1.02773  10.5376      0.875645 2.948    0.17431   3.23558  0.135315  
1 1 1 59 4  13 o 1.83456  0.167109  3.39933      0.613142 2.86928      0.927014 3.81155      0.817501 1.67078  0.277419  1.93677  0.211048  
1 1 1 59 4  14 f 3.20369  0.102102  10.3031      0.654204 8.15796      0.836771 13.6759      1.04924  2.8448   0.14707   3.68423  0.142396  
1 1 1 59 4  15 o 3.07312  0.10565   9.48584      0.649349 9.04525      0.900481 9.96315      0.937258 2.99413  0.150375  3.14261  0.149121  
1 1 1 59 4  16 o 2.17146  0.141275  4.75386      0.613546 5.09387      0.862585 4.4057       0.872876 2.23979  0.192559  2.08006  0.20982   
1 1 1 59 4  17 o 5.86488  0.0877761 34.5285      1.02959  32.5886      1.4489   36.5072      1.46334  5.68594  0.127411  6.02024  0.121535  
1 1 1 59 4  18 o 3.43645  0.107045  11.8789      0.735708 11.565       1.03638  12.1979      1.04457  3.38027  0.153298  3.4723   0.150414  
1 1 1 59 4  19 o 1.55479  0.210694  2.47883      0.65517  2.19014      0.923427 2.77145      0.929705 1.40961  0.332535  1.6008   0.301442  
1 1 1 59 4  20 o 1.92833  0.182329  3.79321      0.70318  3.99156      1.02937  3.61966      0.962855 1.95717  0.262973  1.86514  0.258118  
1 1 1 59 4  21 o 2.51862  0.14176   6.42719      0.714077 5.77689      0.993979 7.12077      1.02652  2.36937  0.209756  2.63571  0.194734  
1 1 1 59 4  22 o 0.907154 0.321396  0.806327     0.731992 1.23563      1.06801  0.426005     1.00523  1.09393  0.388151  0.875529 0.35906   
1 1 1 59 4  23 o 1.33229  0.290675  1.954        0.753087 2.55735      1.02985  1.26055      1.10407  1.50441  0.348783  1.10385  0.39435   
1 1 1 59 4  24 o 2.82565  0.153361  8.14828      0.86669  9.47101      1.23879  6.88007      1.21299  3.02279  0.204908  2.56127  0.236794  
1 1 1 59 4  25 o 1.35303  0.297494  2.05161      0.78322  2.55545      1.13043  1.58645      1.08617  1.47193  0.381094  1.1776   0.392908  
1 1 1 59 4  26 o 2.22278  0.191701  5.15042      0.85222  5.26811      1.16686  5.01587      1.24763  2.20778  0.264261  2.13674  0.291948  
1 1 1 59 4  27 o 0.782929 0.318882  0.416111     0.787408 0.604932     1.0762   0.198582     1.15511  0.901814 0.37096   0.842407 0.366677  
1 1 1 59 4  28 o 1.13075  0.323996  1.52959      0.770604 1.21185      1.05382  1.89476      1.12973  1.02947  0.383083  1.22007  0.400709  
1 1 1 59 4  29 o 0.517826 0.24999   -0.966181    0.77869  -0.576872    1.07895  -1.3894      1.12496  0.678246 0.317674  0.60667  0.294499  
1 1 1 59 4  30 o 0.785249 0.322779  0.509861     0.814216 0.327765     1.11107  0.72108      1.19663  0.814768 0.35709   0.901364 0.382187  
1 1 1 59 4  31 o 0.881557 0.339489  0.956201     0.847283 0.487188     1.16411  1.48455      1.23556  0.822076 0.362682  1.01818  0.405301  
1 1 1 59 4  32 o 0.614815 0.288694  -0.402984    0.911854 0.979893     1.26173  -1.91497     1.31931  0.89667  0.386645  0.593727 0.294436  
1 1 1 59 4  33 o 1.0385   0.3729    1.82343      0.988341 2.75463      1.33182  0.682016     1.4745   1.17476  0.431775  0.809147 0.376379  
1 1 1 59 4  34 o 2.36363  0.237545  6.87684      1.12293  5.91645      1.49131  8.13439      1.70649  1.87156  0.409655  2.27083  0.375742  
1 1 1 59 5  0  o 2.94275  0.144316  8.74481      0.844712 8.74481      0.844712 8.74481      0.844712 2.95002  0.101509  ?        ?         
1 1 1 59 5  1  o 6.25428  0.0752131 39.1725      0.940807 39.2694      1.35     39.081       1.31183  6.25728  0.107874  6.24272  0.105068  
1 1 1 59 5  2  o 7.13186  0.0783205 50.944       1.11714  51.49        1.60711  50.4336      1.55398  7.16408  0.112164  7.09073  0.109579  
1 1 1 59 5  3  o 2.96443  0.0948086 8.80863      0.562107 8.09576      0.777006 9.59132      0.814174 2.83836  0.136876  3.08998  0.131744  
1 1 1 59 5  4  o 3.58627  0.0847139 12.8863      0.607614 12.8358      0.862938 12.9359      0.855698 3.57573  0.120666  3.58983  0.119184  
1 1 1 59 5  5  o 4.73388  0.0865742 22.4562      0.819664 21.9387      1.17461  22.9473      1.14434  4.67374  0.125661  4.78093  0.119677  
1 1 1 59 5  6  o 6.24231  0.0798666 39.0371      0.997104 38.6424      1.45023  39.3909      1.37316  6.20437  0.116872  6.26562  0.109579  
1 1 1 59 5  7  o 3.18898  0.0931406 10.1954      0.594047 11.4534      0.934559 9.34248      0.769509 3.37491  0.138457  3.04951  0.126169  
1 1 1 59 5  8  o 3.44255  0.087211  11.8784      0.600456 12.5656      0.885741 11.294       0.816791 3.53644  0.125231  3.35316  0.121794  
1 1 1 59 5  9  o 4.29524  0.0788738 18.4851      0.677564 19.4527      0.976736 17.5876      0.940719 4.40195  0.110944  4.1854   0.112381  
1 1 1 59 5  10 o 1.93241  0.135246  3.75676      0.522702 3.22333      0.747904 4.2661       0.730816 1.78229  0.209816  2.05461  0.177847  
1 1 1 59 5  11 o 2.48925  0.116034  6.22581      0.577674 6.09933      0.79045  6.37079      0.846317 2.45841  0.160764  2.5114   0.168495  
1 1 1 59 5  12 o 5.14941  0.0878116 26.5899      0.904356 27.1218      1.33083  26.1336      1.2327   5.19244  0.128151  5.09862  0.120886  
1 1 1 59 5  13 o 2.34797  0.134843  5.54934      0.633215 4.96714      0.972638 5.97763      0.834218 2.20919  0.220134  2.43186  0.171519  
1 1 1 59 5  14 o 0.697211 0.279123  0.262481     0.589659 0.381867     0.871233 0.161569     0.800994 0.839763 0.337997  0.759027 0.316757  
1 1 1 59 5  15 o 4.10401  0.0967436 16.9063      0.794075 17.0057      1.05931  16.7787      1.19973  4.10997  0.128871  4.07832  0.147087  
1 1 1 59 5  16 o 1.59069  0.184597  2.57039      0.587274 1.96292      0.817914 3.21683      0.84375  1.34626  0.30998   1.77037  0.238298  
1 1 1 59 5  17 o 4.33379  0.095268  18.8679      0.825742 18.9132      1.12347  18.8146      1.21777  4.33058  0.129714  4.31595  0.141078  
1 1 1 59 5  18 f 2.94873  0.116965  8.7606       0.689796 8.72897      0.943864 8.79686      1.01059  2.93354  0.160875  2.94202  0.171751  
1 1 1 59 5  19 o 2.94654  0.122295  8.75841      0.720693 8.60249      1.01705  8.91567      1.0214   2.90695  0.174934  2.9601   0.172527  
1 1 1 59 5  20 o 0.760357 0.297439  0.405792     0.655701 -0.532058    0.923221 1.36041      0.931435 0.668355 0.305636  1.12433  0.363722  
1 1 1 59 5  21 o 0.720551 0.297422  0.222109     0.694222 -0.00903277  1.0059   0.432332     0.959309 0.788366 0.342649  0.865276 0.352124  
1 1 1 59 5  22 o 1.29317  0.303097  1.85199      0.771072 2.25154      1.13175  1.50586      1.05338  1.39807  0.390122  1.16969  0.386932  
1 1 1 59 5  23 o 1.61415  0.232919  2.71684      0.751936 3.96103      1.07712  1.53409      1.05019  1.93195  0.278764  1.17512  0.386345  
1 1 1 59 5  24 o 1.68063  0.242491  2.97095      0.815079 2.65947      1.14143  3.29503      1.1643   1.51042  0.378311  1.69881  0.354292  
1 1 1 59 5  25 o 0.735771 0.310313  0.197745     0.782001 1.02257      1.14973  -0.512321    1.06676  1.02638  0.395424  0.712798 0.327034  
1 1 1 59 5  26 o 3.23068  0.146856  10.7113      0.94889  10.0543      1.33902  11.3739      1.34487  3.0841   0.217084  3.29037  0.204364  
1 1 1 59 5  27 o 2.67763  0.156092  7.40264      0.835912 7.43542      1.16361  7.36769      1.20162  2.64236  0.220184  2.62378  0.228986  
1 1 1 59 5  28 o 0.631638 0.285061  -0.185326    0.763688 -0.384612    1.07043  0.0212592    1.08986  0.709937 0.326507  0.777291 0.345996  
1 1 1 59 5  29 o 0.891642 0.330312  0.894222     0.78173  0.526292     1.05998  1.33298      1.15752  0.847333 0.359512  1.0371   0.397472  
1 1 1 59 5  30 o 1.80677  0.22748   3.63357      0.822007 2.87312      1.13531  4.47147      1.19172  1.4473   0.385287  1.92226  0.30998   
1 1 1 59 5  31 o 0.662337 0.301721  -0.0617929   0.885834 0.231474     1.24199  -0.365455    1.26381  0.787859 0.358462  0.717841 0.337835  
1 1 1 59 5  32 o 1.16134  0.366931  2.03066      0.952054 1.09618      1.30042  3.11009      1.39765  0.902095 0.390798  1.31815  0.445697  
1 1 1 59 5  33 o 0.866451 0.354084  1.20104      0.974118 1.31544      1.30249  1.05582      1.46744  0.875263 0.385094  0.838704 0.384283  
1 1 1 59 5  34 o 0.531857 0.264081  -1.32102     1.07506  -1.57322     1.35939  -0.899933    1.75657  0.577012 0.287932  0.67389  0.335008  
1 1 1 59 6  0  o 3.60387  0.133298  13.0727      0.957796 13.0727      0.957796 13.0727      0.957796 3.60979  0.0939531 ?        ?         
1 1 1 59 6  1  o 2.96318  0.105601  8.80744      0.625831 8.66878      0.87791  8.9507       0.892384 2.93532  0.149543  2.98266  0.149595  
1 1 1 59 6  2  o 4.64498  0.0809098 21.615       0.751648 21.7152      1.04278  21.5067      1.08443  4.65192  0.112081  4.6288   0.117139  
1 1 1 59 6  3  o 0.679818 0.264659  0.297822     0.517858 1.11191      0.728889 -0.531968    0.735884 1.03809  0.319734  0.590088 0.271106  
1 1 1 59 6  4  o 0.871583 0.279654  0.761149     0.551446 0.92858      0.838334 0.633452     0.732133 0.992977 0.34471   0.870842 0.320127  
1 1 1 59 6  5  o 5.94063  0.0761923 35.3506      0.90526  33.7387      1.29378  36.8968      1.2671   5.79809  0.111569  6.06472  0.104465  
1 1 1 59 6  6  o 6.42754  0.0738618 41.3805      0.9495   41.8461      1.39178  40.9751      1.29865  6.45775  0.10776   6.39141  0.101593  
1 1 1 59 6  7  o 4.83109  0.075178  23.3799      0.726383 23.8003      1.0733   23.0247      0.98668  4.86947  0.110207  4.7906   0.102981  
1 1 1 59 6  8  o 1.82218  0.141123  3.34133      0.514303 3.06985      0.753955 3.57759      0.703348 1.73904  0.216774  1.88093  0.186968  
1 1 1 59 6  9  o 4.44156  0.0769255 19.7663      0.683339 19.8538      0.959709 19.6763      0.973205 4.44705  0.107904  4.4268   0.109922  
1 1 1 59 6  10 o 1.45855  0.184377  2.15296      0.537845 1.89852      0.762347 2.40511      0.75892  1.33256  0.293939  1.53422  0.247331  
1 1 1 59 6  11 o 3.3911   0.0960088 11.5377      0.651151 11.8074      0.93664  11.2854      0.905864 3.42461  0.136751  3.3483   0.135272  
1 1 1 59 6  12 o 0.984661 0.273293  1.026        0.556872 1.45034      0.803361 0.633528     0.772609 1.16493  0.329864  0.879389 0.327858  
1 1 1 59 6  13 o 4.23132  0.0890599 17.9589      0.753682 17.5072      1.1295   18.3214      1.0119   4.16939  0.135452  4.26877  0.118524  
1 1 1 59 6  14 o 1.16635  0.262605  1.45087      0.597816 3.36189      0.90133  -0.0501189   0.798804 1.81111  0.248834  0.709467 0.306804  
1 1 1 59 6  15 o 2.63052  0.121108  6.96415      0.637152 5.64713      0.954926 8.02095      0.855404 2.35513  0.202733  2.81786  0.151783  
1 1 1 59 6  16 o 3.31221  0.107289  11.034       0.710728 11.0063      1.02768  11.0593      0.983988 3.29769  0.155818  3.30737  0.148757  
1 1 1 59 6  17 o 1.80015  0.178409  3.295        0.642325 3.35437      0.894381 3.23176      0.923068 1.80235  0.248115  1.76606  0.261336  
1 1 1 59 6  18 o 0.983519 0.300144  1.02879      0.644313 0.556301     0.882821 1.56732      0.942496 0.8791   0.344875  1.19683  0.36257   
1 1 1 59 6  19 f 3.38989  0.11444   11.5829      0.775879 10.7511      1.08329  12.459       1.11178  3.25138  0.166589  3.50283  0.158698  
1 1 1 59 6  20 o 2.23706  0.163187  5.09228      0.730118 4.76009      1.05939  5.3928       1.00763  2.13879  0.247662  2.28579  0.220413  
1 1 1 59 6  21 o 1.65823  0.215541  2.84477      0.714834 1.57042      1.01373  4.10516      1.00815  1.18809  0.378961  1.97911  0.254699  
1 1 1 59 6  22 o 1.88308  0.200638  3.65493      0.755635 3.1215       1.04364  4.24272      1.09551  1.67887  0.322313  2.00336  0.273418  
1 1 1 59 6  23 f 1.08723  0.317654  1.31772      0.733699 1.06173      1.03945  1.5719       1.03578  1.03352  0.381284  1.18029  0.383685  
1 1 1 59 6  24 o 1.53692  0.2773    2.59396      0.821208 2.58204      1.16928  2.60556      1.15361  1.47767  0.38993   1.48689  0.384987  
1 1 1 59 6  25 o 1.47025  0.292971  2.43315      0.830944 3.7962       1.17195  1.05521      1.17834  1.81647  0.335178  1.03149  0.399706  
1 1 1 59 6  26 f 1.90573  0.212299  3.8361       0.809169 4.52755      1.14207  3.13912      1.14662  2.02981  0.281324  1.61954  0.363028  
1 1 1 59 6  27 o 1.29433  0.312236  1.97193      0.800127 2.20344      1.13616  1.74415      1.12699  1.31663  0.397926  1.18225  0.400223  
1 1 1 59 6  28 o 1.1113   0.334862  1.51977      0.805388 0.126421     1.09633  3.15326      1.18705  0.790555 0.349957  1.565    0.382056  
1 1 1 59 6  29 o 0.98216  0.33118   1.18122      0.771693 0.986074     1.07496  1.38874      1.10849  0.94513  0.377472  1.04538  0.39212   
1 1 1 59 6  30 o 2.14811  0.195533  5.03435      0.840052 5.6083       1.18122  4.447        1.19493  2.18622  0.270151  1.89708  0.314939  
1 1 1 59 6  31 o 0.78759  0.33759   0.555887     0.951545 0.353115     1.26236  0.822703     1.44805  0.804666 0.364643  0.89372  0.398293  
1 1 1 59 6  32 o 0.587752 0.281034  -0.506804    0.926924 -1.84393     1.24071  1.18226      1.39446  0.560597 0.279082  0.885656 0.393034  
1 1 1 59 6  33 o 0.59719  0.286565  -0.467715    0.985622 -1.33403     1.33542  0.568826     1.46075  0.602832 0.298288  0.782521 0.367072  
1 1 1 59 6  34 o 0.586551 0.285088  -0.392233    1.05999  0.386537     1.35484  -1.62111     1.70192  0.690651 0.332518  0.602443 0.303831  
1 1 1 59 7  0  o 2.58625  0.15792   6.78689      0.809862 6.78689      0.809862 6.78689      0.809862 2.59584  0.110762  ?        ?         
1 1 1 59 7  1  o 4.1339   0.0861872 17.1259      0.712579 17.7357      1.00758  16.5156      1.0079   4.2027   0.119872  4.05495  0.12428   
1 1 1 59 7  2  o 4.95472  0.0770455 24.5917      0.763477 23.6939      1.0773   25.4976      1.08215  4.859    0.110857  5.04111  0.107333  
1 1 1 59 7  3  o 4.57143  0.0803012 20.9377      0.734182 22.1723      1.04548  19.7365      1.03125  4.70024  0.111215  4.4338   0.116294  
1 1 1 59 7  4  o 2.95153  0.10228   8.73884      0.603766 9.15491      0.912095 8.41433      0.805512 3.01544  0.151237  2.8924   0.139246  
1 1 1 59 7  5  o 1.1458   0.232145  1.38084      0.513419 0.488709     0.809839 1.98038      0.663888 0.850765 0.331015  1.37348  0.251009  
1 1 1 59 7  6  o 2.24768  0.112902  5.07222      0.507533 4.99608      0.740249 5.13977      0.697203 2.2255   0.166311  2.25863  0.154342  
1 1 1 59 7  7  o 1.84721  0.137303  3.43296      0.507255 3.63241      0.755845 3.26951      0.684225 1.89357  0.199582  1.79755  0.190322  
1 1 1 59 7  8  o 3.70843  0.0822642 13.7839      0.610142 13.061       0.876411 14.4639      0.849939 3.6049   0.121558  3.79501  0.111981  
1 1 1 59 7  9  o 0.696355 0.263489  0.364772     0.50334  0.74621      0.719455 -0.000915387 0.704443 0.901055 0.318693  0.679067 0.29075   
1 1 1 59 7  10 o 2.0548   0.138805  4.25145      0.570435 4.02647      0.809665 4.47318      0.8038   1.99176  0.203254  2.10111  0.19128   
1 1 1 59 7  11 o 1.11977  0.247381  1.33014      0.539211 1.55727      0.757565 1.09693      0.767654 1.20436  0.312049  1.03336  0.329791  
1 1 1 59 7  12 o 0.765921 0.269211  0.537294     0.512665 -0.65037     0.716543 1.78286      0.733801 0.558089 0.26067   1.29002  0.291287  
1 1 1 59 7  13 o 2.67311  0.111376  7.18082      0.595442 6.93223      0.855273 7.41464      0.829483 2.61896  0.163285  2.7103   0.153024  
1 1 1 59 7  14 o 1.66715  0.176279  2.81578      0.587765 3.12763      0.848975 2.52871      0.814543 1.74672  0.24302   1.56786  0.259762  
1 1 1 59 7  15 o 4.56061  0.0846076 20.8731      0.771724 20.5859      1.09538  21.1562      1.08743  4.52083  0.121148  4.58371  0.118619  
1 1 1 59 7  16 o 2.27423  0.142025  5.22536      0.645992 4.02186      0.94832  6.26732      0.882382 1.97659  0.239888  2.48351  0.177649  
1 1 1 59 7  17 f 2.54437  0.14054   6.54638      0.715173 6.5592       0.949355 6.52956      1.08747  2.53589  0.187184  2.5221   0.215588  
1 1 1 59 7  18 o 0.918217 0.303758  0.861681     0.649193 0.986398     0.907297 0.730843     0.929294 1.00651  0.357695  0.93804  0.357116  
1 1 1 59 7  19 o 1.56716  0.22008   2.53143      0.689799 2.56709      0.98113  2.49656      0.970011 1.52344  0.331263  1.50188  0.3318    
1 1 1 59 7  20 o 2.91634  0.128826  8.60417      0.751399 8.73615      1.06059  8.47117      1.0647   2.92214  0.181475  2.87617  0.185091  
1 1 1 59 7  21 o 1.23322  0.296703  1.68135      0.723987 1.63632      1.01779  1.72747      1.03006  1.2077   0.379009  1.23673  0.379925  
1 1 1 59 7  22 o 2.24388  0.1691    5.14786      0.75888  4.96986      1.06411  5.3321       1.08257  2.17895  0.244179  2.25882  0.239631  
1 1 1 59 7  23 o 0.562311 0.262508  -0.588091    0.725515 -0.480899    1.0209   -0.697466    1.03124  0.706899 0.322527  0.679903 0.315683  
1 1 1 59 7  24 o 2.37397  0.178229  5.8202       0.846218 5.91574      1.15171  5.7081       1.24749  2.36134  0.243867  2.30422  0.270696  
1 1 1 59 7  25 o 0.747928 0.315879  0.227869     0.812158 -0.157706    1.14404  0.619611     1.15315  0.784655 0.351733  0.927373 0.38309   
1 1 1 59 7  26 o 1.11833  0.328161  1.46915      0.781394 1.63917      1.09912  1.2954       1.11109  1.16316  0.395243  1.06949  0.39425   
1 1 1 59 7  27 o 1.25362  0.314145  1.87131      0.786776 2.53382      1.11394  1.21181      1.11141  1.4119   0.384273  1.03039  0.391048  
1 1 1 59 7  28 o 0.542626 0.259551  -0.811097    0.792436 -1.04051     1.08359  -0.547355    1.16185  0.626543 0.300606  0.706793 0.330796  
1 1 1 59 7  29 o 0.694189 0.300697  0.180023     0.769739 0.554609     1.09172  -0.190284    1.08546  0.84901  0.362682  0.723989 0.331214  
1 1 1 59 7  30 o 0.793974 0.328337  0.619832     0.848514 1.45594      1.1833   -0.265144    1.21739  1.01053  0.398401  0.724556 0.338946  
1 1 1 59 7  31 o 0.607638 0.287125  -0.501826    0.929496 -0.0173327   1.26235  -1.07557     1.37371  0.750678 0.348823  0.668571 0.324826  
1 1 1 59 7  32 o 0.668373 0.304309  0.171304     0.898478 0.990114     1.22174  -0.793122    1.32593  0.837822 0.370341  0.64765  0.315713  
1 1 1 59 7  33 o 0.869115 0.359453  1.23815      1.01714  0.574038     1.34958  2.1114       1.54757  0.771429 0.359316  0.973114 0.423998  
1 1 1 59 8  0  o 0.47589  0.317621  -0.176394    0.792512 -0.176394    0.792512 -0.176394    0.792512 0.390459 0.262364  ?        ?         
1 1 1 59 8  1  o 2.06981  0.131085  4.30653      0.542639 4.43285      0.767204 4.18008      0.767612 2.09476  0.183125  2.03352  0.18874   
1 1 1 59 8  2  o 1.01803  0.255936  1.09817      0.520948 0.922398     0.741757 1.26927      0.731807 0.969738 0.324692  1.09672  0.316223  
1 1 1 59 8  3  f 2.41659  0.120379  5.86617      0.581814 6.77578      0.861975 5.10496      0.788539 2.59189  0.166283  2.24867  0.175335  
1 1 1 59 8  4  o 8.20172  0.0786372 67.3993      1.28992  67.3206      1.84955  67.4739      1.79991  8.18832  0.112938  8.19855  0.10977   
1 1 1 59 8  5  o 2.57372  0.101305  6.64591      0.52146  6.62281      0.7627   6.66619      0.714563 2.56424  0.148718  2.57381  0.138814  
1 1 1 59 8  6  o 4.05806  0.0782237 16.5014      0.634873 16.3741      0.914504 16.6198      0.882065 4.03777  0.113244  4.0687   0.108397  
1 1 1 59 8  7  o 1.60787  0.154449  2.60665      0.496669 3.04731      0.722087 2.21098      0.684234 1.73254  0.208389  1.4731   0.232243  
1 1 1 59 8  8  o 4.79987  0.077731  23.089       0.746197 23.8412      1.08814  22.4213      1.02523  4.87173  0.111679  4.72503  0.10849   
1 1 1 59 8  9  o 1.57691  0.164286  2.51074      0.518129 2.50729      0.72358  2.51437      0.742267 1.56841  0.230673  1.56987  0.23641   
1 1 1 59 8  10 o 4.08738  0.0872467 16.7525      0.713221 15.9147      1.00452  17.6043      1.01282  3.9778   0.126266  4.18461  0.121018  
1 1 1 59 8  11 o 4.41641  0.082646  19.5557      0.729997 18.9668      1.01328  20.1912      1.05259  4.34376  0.116636  4.48161  0.117434  
1 1 1 59 8  12 o 1.30283  0.206177  1.72608      0.537227 1.7561       0.766241 1.69706      0.753429 1.27718  0.303954  1.25554  0.303055  
1 1 1 59 8  13 o 2.23171  0.1299    5.01511      0.579796 4.53119      0.832569 5.47077      0.8079   2.11166  0.197136  2.32441  0.173786  
1 1 1 59 8  14 o 5.78214  0.085249  33.5509      0.985844 35.448       1.40285  31.7         1.38569  5.93388  0.118207  5.6097   0.123509  
1 1 1 59 8  15 o 3.89146  0.0922312 15.2087      0.717828 14.6583      1.02779  15.7329      1.00299  3.81111  0.134841  3.95039  0.126948  
1 1 1 59 8  16 o 0.958355 0.287391  0.974418     0.594183 1.2858       0.843601 0.667864     0.837042 1.09717  0.345201  0.898703 0.339865  
1 1 1 59 8  17 o 1.65997  0.204555  2.82278      0.679109 1.46417      1.02545  3.88413      0.90635  1.16875  0.381767  1.94011  0.233582  
1 1 1 59 8  18 f 1.36456  0.254659  1.992        0.669154 2.30961      0.95499  1.68567      0.937895 1.44344  0.336663  1.23327  0.35877   
1 1 1 59 8  19 o 1.60842  0.201837  2.65746      0.649276 2.55014      0.927233 2.7607       0.909456 1.52279  0.315116  1.59355  0.296428  
1 1 1 59 8  20 o 1.39054  0.264766  2.09204      0.709834 2.14998      1.00201  2.03368      1.00571  1.37601  0.359982  1.33744  0.36563   
1 1 1 59 8  21 o 1.81084  0.206668  3.38615      0.748486 4.03615      1.05718  2.73283      1.05987  1.9551   0.270365  1.55582  0.349218  
1 1 1 59 8  22 o 3.59977  0.115344  13.1064      0.830422 13.5181      1.16083  12.6749      1.18845  3.63727  0.159574  3.51747  0.168935  
1 1 1 59 8  23 o 4.17853  0.11084   17.6589      0.926296 19.6702      1.29786  15.5708      1.32245  4.39087  0.14779   3.89428  0.169794  
1 1 1 59 8  24 o 2.27498  0.185938  5.37515      0.846011 5.40744      1.16167  5.33868      1.23453  2.24265  0.258996  2.21626  0.278515  
1 1 1 59 8  25 o 1.24653  0.30419   1.79221      0.752726 1.64732      1.02421  1.96239      1.10998  1.17224  0.381537  1.26403  0.395625  
1 1 1 59 8  26 o 2.78212  0.15171   7.98769      0.844152 7.48037      1.17899  8.52135      1.20921  2.64513  0.22286   2.83065  0.213592  
1 1 1 59 8  27 o 1.41814  0.288216  2.34048      0.789032 3.04134      1.09263  1.57669      1.14064  1.56466  0.356922  1.11577  0.400606  
1 1 1 59 8  28 o 3.23496  0.147798  10.8971      0.956238 11.7877      1.35009  10.0005      1.35457  3.3064   0.204163  3.02315  0.224033  
1 1 1 59 8  29 o 1.10983  0.345265  1.62822      0.847091 1.21004      1.14145  2.14087      1.26381  0.977143 0.389373  1.1965   0.422469  
1 1 1 59 8  30 o 0.825763 0.334874  0.771403     0.864307 -0.574952    1.21188  2.16513      1.23302  0.682459 0.32501   1.16449  0.416671  
1 1 1 59 8  31 o 0.628271 0.294712  -0.298294    0.941542 -0.39982     1.30594  -0.188396    1.35871  0.703029 0.335537  0.734306 0.347057  
1 1 1 59 8  32 o 0.811571 0.340166  0.955247     0.930096 1.04098      1.23271  0.841922     1.41722  0.831304 0.369147  0.810019 0.37378   
1 1 1 59 8  33 o 1.09356  0.389848  2.32252      1.07849  2.61791      1.4117   1.90845      1.67142  1.04266  0.426203  0.8941   0.409856  
1 1 1 59 9  0  o 0.486951 0.321701  -0.0895834   0.77786  -0.0895834   0.77786  -0.0895834   0.77786  0.404575 0.2685    ?        ?         
1 1 1 59 9  1  o 1.31187  0.200798  1.7433       0.526842 1.42704      0.685687 2.19907      0.823139 1.15627  0.295398  1.43751  0.296432  
1 1 1 59 9  2  o 4.87399  0.0763999 23.8007      0.744744 22.8193      1.00169  25.0136      1.11363  4.76832  0.105036  4.99116  0.11156   
1 1 1 59 9  3  o 3.49468  0.0849196 12.2418      0.593534 12.085       0.892258 12.3663      0.794918 3.46679  0.128686  3.50907  0.113266  
1 1 1 59 9  4  o 0.819272 0.257497  0.681197     0.469556 0.62992      0.669818 0.730746     0.658434 0.849009 0.306774  0.881343 0.305538  
1 1 1 59 9  5  o 5.60145  0.0736724 31.4352      0.825344 32.0915      1.22422  30.8883      1.1175   5.65338  0.108273  5.54791  0.100713  
1 1 1 59 9  6  o 3.00867  0.0936619 9.08061      0.563596 9.35989      0.821651 8.83244      0.774525 3.04943  0.134722  2.96283  0.130707  
1 1 1 59 9  7  o 5.03252  0.0757187 25.3786      0.762112 25.171       1.09951  25.5705      1.05731  5.00614  0.109816  5.0467   0.104752  
1 1 1 59 9  8  o 1.53487  0.16769   2.37956      0.514764 2.04569      0.721262 2.72619      0.734902 1.39028  0.268995  1.63627  0.224567  
1 1 1 59 9  9  o 2.51622  0.109199  6.35888      0.549538 6.29009      0.78067  6.42645      0.773705 2.4968   0.156334  2.52416  0.15326   
1 1 1 59 9  10 o 2.49709  0.115471  6.26749      0.576681 5.98446      0.812312 6.55508      0.818826 2.43326  0.166919  2.54762  0.160704  
1 1 1 59 9  11 o 1.82824  0.153631  3.37386      0.561748 4.15293      0.811628 2.6575       0.778283 2.02165  0.200734  1.61151  0.241476  
1 1 1 59 9  12 o 6.2945   0.0811886 39.7272      1.02208  39.8902      1.45972  39.5704      1.43158  6.29845  0.115879  6.27368  0.114094  
1 1 1 59 9  13 o 2.99557  0.106528  9.02164      0.638221 9.10047      0.914435 8.94678      0.891177 3.0003   0.152391  2.97541  0.149757  
1 1 1 59 9  14 o 3.00072  0.110099  9.05934      0.660753 8.86115      0.938702 9.25398      0.930248 2.9581   0.158666  3.0241   0.153806  
1 1 1 59 9  15 o 2.59232  0.125315  6.77664      0.649713 7.13269      0.960671 6.47649      0.882025 2.6474   0.181436  2.52428  0.174708  
1 1 1 59 9  16 o 2.74786  0.121641  7.61518      0.668505 9.13961      0.980662 6.29182      0.913704 3.00009  0.163439  2.48416  0.183906  
1 1 1 59 9  17 o 3.30953  0.112153  11.0363      0.742349 10.9069      1.07048  11.1561      1.03035  3.2761   0.163378  3.31584  0.155367  
1 1 1 59 9  18 o 2.46723  0.142634  6.16743      0.703824 6.01883      1.03892  6.29349      0.956855 2.41722  0.214899  2.47877  0.19301   
1 1 1 59 9  19 o 1.67979  0.198857  2.90191      0.668077 3.52517      0.944876 2.27884      0.94473  1.83442  0.25754   1.42697  0.336167  
1 1 1 59 9  20 o 1.46786  0.241514  2.24963      0.709017 1.69823      0.99895  2.80939      1.0065   1.227    0.373583  1.58841  0.328009  
1 1 1 59 9  21 f 0.974522 0.320276  1.00926      0.721716 0.182366     1.0197   1.83928      1.02163  0.82531  0.351471  1.26973  0.376049  
1 1 1 59 9  22 o 3.68792  0.117524  13.7662      0.86684  14.17        1.19085  13.3111      1.26423  3.72257  0.15995   3.59985  0.175595  
1 1 1 59 9  23 o 0.639133 0.289223  -0.292001    0.79142  -1.1112      1.05589  0.758225     1.19555  0.633571 0.302226  0.977433 0.394891  
1 1 1 59 9  24 o 1.20004  0.312906  1.66459      0.758667 1.90281      1.03223  1.38473      1.11883  1.25619  0.379214  1.10403  0.396721  
1 1 1 59 9  25 o 1.28136  0.294745  1.88443      0.740082 1.78215      1.00427  2.006        1.09486  1.21047  0.375807  1.27336  0.391797  
1 1 1 59 9  26 o 2.22908  0.184087  5.22223      0.820691 6.99633      1.14729  3.36311      1.17445  2.55011  0.224949  1.65429  0.364776  
1 1 1 59 9  27 o 2.0155   0.208224  4.37904      0.839349 4.43007      1.1532   4.32154      1.224    1.95713  0.294615  1.88035  0.337744  
1 1 1 59 9  28 o 1.69406  0.245161  3.20617      0.830637 2.4514       1.14553  4.04302      1.20621  1.33847  0.398568  1.79507  0.348414  
1 1 1 59 9  29 f 1.09679  0.346895  1.62934      0.850754 1.23584      1.12644  2.15184      1.29801  0.968094 0.38648   1.17439  0.426782  
1 1 1 59 9  30 o 0.806483 0.336644  0.680853     0.905072 1.50538      1.2562   -0.209159    1.30513  1.00182  0.404767  0.739922 0.347067  
1 1 1 59 9  31 o 0.661516 0.302828  0.082455     0.909012 0.840423     1.2364   -0.809251    1.34105  0.825247 0.367899  0.655984 0.319369  
1 1 1 59 9  32 o 0.58549  0.2826    -0.596955    0.993879 -0.330034    1.36698  -0.896283    1.44759  0.685612 0.33105   0.654692 0.321703  
1 1 1 59 9  33 o 0.690371 0.322373  0.517702     1.09504  0.619877     1.61424  0.430604     1.4904   0.722379 0.351329  0.701932 0.340188  
1 1 1 59 10 0  o 2.58295  0.156271  6.77225      0.800513 6.77225      0.800513 6.77225      0.800513 2.59274  0.109605  ?        ?         
1 1 1 59 10 1  o 3.28536  0.090452  10.8242      0.594335 10.6083      0.821793 11.061       0.860582 3.24797  0.126509  3.31607  0.12976   
1 1 1 59 10 2  o 0.981231 0.262425  1.02035      0.525174 -0.108374    0.756444 2.07067      0.729696 0.679455 0.296236  1.39902  0.270441  
1 1 1 59 10 3  o 1.29296  0.209339  1.69778      0.541332 1.92264      0.891908 1.56663      0.681135 1.3345   0.334514  1.21066  0.285592  
1 1 1 59 10 4  o 1.48515  0.169343  2.22853      0.502998 2.06025      0.73932  2.37355      0.686327 1.39385  0.274999  1.52669  0.224776  
1 1 1 59 10 5  o 5.29982  0.0769113 28.1479      0.815232 28.8628      1.21768  27.5672      1.09749  5.35989  0.113592  5.24004  0.104721  
1 1 1 59 10 6  o 6.07498  0.0761132 36.982       0.924772 38.3129      1.34711  35.7958      1.27179  6.17647  0.109051  5.97072  0.106502  
1 1 1 59 10 7  o 0.931558 0.260972  0.914691     0.505474 -0.0400084   0.715717 1.86477      0.713984 0.675199 0.291177  1.32336  0.278531  
1 1 1 59 10 8  o 5.1288   0.0785104 26.3649      0.805328 26.3716      1.16515  26.3588      1.11436  5.12293  0.113719  5.12275  0.108766  
1 1 1 59 10 9  o 0.815969 0.27147   0.653794     0.518515 0.57487      0.727817 0.735137     0.73889  0.846331 0.31768   0.901141 0.32254   
1 1 1 59 10 10 o 2.41625  0.119461  5.8715       0.577293 5.68004      0.800102 6.07942      0.833771 2.36978  0.168814  2.45147  0.170055  
1 1 1 59 10 11 o 1.48805  0.188241  2.24645      0.560222 2.6632       0.810886 1.86589      0.774885 1.61091  0.251685  1.31675  0.300719  
1 1 1 59 10 12 o 1.01087  0.273299  1.09363      0.565774 0.97857      0.823859 1.19633      0.778331 0.996016 0.34211   1.06453  0.330912  
1 1 1 59 10 13 o 1.7327   0.171889  3.04686      0.595665 3.13634      0.857647 2.96348      0.827933 1.74475  0.245779  1.69634  0.244035  
1 1 1 59 10 14 o 1.65371  0.185917  2.78456      0.614905 2.30753      0.883828 3.23207      0.856051 1.45635  0.312454  1.77067  0.241731  
1 1 1 59 10 15 o 1.28245  0.247051  1.75366      0.611049 1.21662      0.895993 2.22062      0.835485 1.07821  0.356857  1.4288   0.301729  
1 1 1 59 10 16 o 0.74427  0.288182  0.401543     0.612276 0.186213     0.878904 0.604574     0.853436 0.78652  0.330215  0.882492 0.340538  
1 1 1 59 10 17 o 3.71626  0.101211  13.8999      0.752252 13.3424      1.07016  14.4445      1.05764  3.62764  0.147501  3.77705  0.140009  
1 1 1 59 10 18 o 2.13966  0.155964  4.65493      0.667422 5.28847      0.946042 4.02715      0.941727 2.26589  0.208758  1.96833  0.23922   
1 1 1 59 10 19 o 0.494942 0.237935  -0.94224     0.687265 0.000829759  1.0518   -1.64488     0.907881 0.80382  0.349888  0.524507 0.256838  
1 1 1 59 10 20 o 2.95667  0.138938  8.87133      0.82159  10.8814      1.11277  6.46244      1.21818  3.26246  0.170541  2.48546  0.245062  
1 1 1 59 10 21 o 1.5374   0.234297  2.4769       0.720416 3.08832      0.997893 1.81135      1.04113  1.6676   0.310779  1.25343  0.381339  
1 1 1 59 10 22 f 0.823457 0.321243  0.540639     0.763776 0.57312      1.01833  0.49887      1.15478  0.901011 0.364271  0.920481 0.381988  
1 1 1 59 10 23 o 1.32301  0.304286  1.99452      0.788855 2.58438      1.09971  1.36928      1.13222  1.46993  0.373247  1.10628  0.398933  
1 1 1 59 10 24 o 2.03419  0.191086  4.32481      0.777409 2.9035       1.04365  6.09647      1.16521  1.57131  0.34164   2.38267  0.244517  
1 1 1 59 10 25 o 1.98963  0.189912  4.15459      0.755711 5.12754      1.04578  3.09125      1.09328  2.17972  0.239888  1.60542  0.350197  
1 1 1 59 10 26 o 1.17935  0.31935   1.67694      0.771755 1.66718      1.01192  1.69051      1.19319  1.14807  0.379241  1.148    0.409974  
1 1 1 59 10 27 o 1.83899  0.229383  3.71462      0.843669 3.84585      1.12396  3.54525      1.27687  1.77659  0.328694  1.63664  0.3942    
1 1 1 59 10 28 o 0.770248 0.31956   0.484953     0.807838 -0.533337    1.12147  1.58321      1.16467  0.683348 0.320745  1.07365  0.40209   
1 1 1 59 10 29 o 1.92384  0.236718  4.25191      0.910814 4.07669      1.23305  4.46232      1.35122  1.71973  0.369139  1.76987  0.392119  
1 1 1 59 10 30 o 2.00581  0.25007   4.7575       1.00319  6.2978       1.35935  2.91525      1.48663  2.22642  0.305276  1.26441  0.457011  
1 1 1 59 10 31 o 0.640637 0.299542  -0.0707188   0.949337 -0.465566    1.36967  0.294348     1.31701  0.679465 0.328664  0.74682  0.350004  
1 1 1 59 10 32 o 0.901554 0.371878  1.43605      1.08449  2.44566      1.50225  0.337234     1.56722  1.02689  0.43145   0.760508 0.364067  
1 1 1 59 11 0  o 1.25815  0.321267  1.88293      0.69774  1.88293      0.69774  1.88293      0.69774  1.3256   0.199734  ?        ?         
1 1 1 59 11 1  o 2.42027  0.112423  5.88436      0.544188 6.34931      0.737443 5.32844      0.806362 2.50998  0.146902  2.29554  0.175637  
1 1 1 59 11 2  o 2.29989  0.118012  5.31599      0.542829 5.00722      0.817387 5.55961      0.726056 2.22412  0.183755  2.34774  0.154629  
1 1 1 59 11 3  o 3.44345  0.08617   11.8889      0.593444 11.6795      0.862143 12.0775      0.8181   3.40768  0.1265    3.46654  0.117999  
1 1 1 59 11 4  o 8.18454  0.0822512 67.149       1.34638  63.8661      1.90985  70.3924      1.89833  7.97097  0.1198    8.37058  0.113393  
1 1 1 59 11 5  o 5.31123  0.0782089 28.2708      0.83077  27.4656      1.21334  28.9814      1.13988  5.22807  0.116041  5.37253  0.106084  
1 1 1 59 11 6  o 2.99871  0.0941242 9.02164      0.564503 9.46611      0.835642 8.64854      0.765604 3.06615  0.136269  2.93157  0.130579  
1 1 1 59 11 7  o 5.34862  0.0803393 28.6784      0.859409 29.8305      1.23271  27.5889      1.19878  5.44836  0.113127  5.23937  0.114401  
1 1 1 59 11 8  o 2.65302  0.109449  7.0719       0.580739 6.49469      0.835047 7.61257      0.80819  2.53488  0.164711  2.74734  0.147086  
1 1 1 59 11 9  o 5.21422  0.0807348 27.259       0.841938 27.0441      1.19453  27.4712      1.18686  5.18654  0.115157  5.22772  0.113516  
1 1 1 59 11 10 o 0.868193 0.278167  0.765685     0.545743 0.841972     0.787256 0.69511      0.757214 0.945992 0.333494  0.891622 0.325778  
1 1 1 59 11 11 o 4.82973  0.0855785 23.4076      0.826643 23.1947      1.20111  23.5991      1.13942  4.79832  0.12516   4.84204  0.11766   
1 1 1 59 11 12 o 1.35468  0.210984  1.87622      0.571629 1.50679      0.843469 2.19003      0.777381 1.17817  0.339422  1.42935  0.281975  
1 1 1 59 11 13 f 1.65452  0.179666  2.78364      0.594519 2.89276      0.870681 2.68831      0.813757 1.67134  0.260474  1.61292  0.252262  
1 1 1 59 11 14 o 3.21612  0.107901  10.4119      0.694046 10.0709      0.979811 10.7553      0.983257 3.1518   0.155437  3.2584   0.15088   
1 1 1 59 11 15 o 1.62798  0.187083  2.70501      0.609136 2.61914      0.871927 2.78686      0.851339 1.55806  0.290624  1.63706  0.260021  
1 1 1 59 11 16 f 3.93379  0.0983706 15.5677      0.773939 16.527       1.12733  14.7125      1.06441  4.04075  0.139495  3.81245  0.139597  
1 1 1 59 11 17 o 1.19353  0.278313  1.55329      0.652757 0.251201     0.95073  2.71447      0.897817 0.823057 0.344391  1.58042  0.295009  
1 1 1 59 11 18 o 1.29857  0.258886  1.8242       0.648538 2.22788      0.927633 1.43824      0.907055 1.40988  0.333735  1.14061  0.357765  
1 1 1 59 11 19 o 1.5797   0.229259  2.59518      0.724319 2.81363      1.07057  2.41078      0.983626 1.57975  0.34821   1.46289  0.341981  
1 1 1 59 11 20 o 3.25249  0.130705  10.7265      0.850234 10.4312      1.27239  10.9647      1.14284  3.17812  0.20018   3.27077  0.174705  
1 1 1 59 11 21 o 3.0666   0.134156  9.55349      0.822809 9.56136      1.10504  9.5437       1.23264  3.04815  0.181264  3.0344   0.203112  
1 1 1 59 11 22 o 2.11919  0.207756  4.69265      0.880551 6.12775      1.18976  2.95441      1.3094   2.40025  0.24784   1.55703  0.413442  
1 1 1 59 11 23 o 1.5813   0.234877  2.66499      0.742823 1.65751      1.01344  3.83464      1.09197  1.17947  0.379181  1.86552  0.29267   
1 1 1 59 11 24 o 1.30427  0.289952  1.9441       0.73652  2.1176       1.01788  1.75343      1.06705  1.31757  0.37073   1.19875  0.389434  
1 1 1 59 11 25 o 0.808696 0.315824  0.59088      0.738635 0.683253     0.98048  0.469663     1.12317  0.885957 0.357745  0.871256 0.369889  
1 1 1 59 11 26 o 2.59777  0.161017  7.05771      0.836574 7.84026      1.0797   5.88219      1.32331  2.70611  0.199493  2.25947  0.292838  
1 1 1 59 11 27 o 0.861231 0.32957   0.799954     0.794824 -0.0221486   1.07376  1.79639      1.18214  0.74992  0.338251  1.1477   0.408251  
1 1 1 59 11 28 o 0.6371   0.290303  -0.150013    0.821262 -0.0406262   1.1261   -0.274299    1.20034  0.740594 0.338204  0.727297 0.338802  
1 1 1 59 11 29 o 0.691947 0.308032  0.15534      0.863979 0.169178     1.20308  0.140603     1.24152  0.769625 0.350871  0.772854 0.353842  
1 1 1 59 11 30 o 0.75918  0.337991  0.501173     1.0404   0.863034     1.46297  0.130893     1.47989  0.853752 0.388604  0.771969 0.36397   
1 1 1 59 11 31 o 1.43956  0.369996  3.31617      1.07092  3.39184      1.56605  3.24969      1.46776  1.19489  0.461255  1.20462  0.451338  
1 1 1 59 11 32 o 0.743026 0.338195  0.732035     1.10788  1.79876      1.69983  -0.0557293   1.46075  0.859634 0.401504  0.68677  0.334073  
1 1 1 59 12 0  o 6.40629  0.103968  41.1522      1.33131  41.1522      1.33131  41.1522      1.33131  6.41061  0.0734451 ?        ?         
1 1 1 59 12 1  o 5.49145  0.0783605 30.2224      0.860626 30.9333      1.22291  29.5248      1.21138  5.54958  0.110181  5.42143  0.111722  
1 1 1 59 12 2  o 2.44578  0.112007  6.00899      0.547889 7.29212      0.842484 5.06861      0.721234 2.68837  0.15669   2.24079  0.160933  
1 1 1 59 12 3  o 2.97391  0.0935671 8.87251      0.55652  8.37882      0.78449  9.37267      0.78961  2.88478  0.135971  3.05206  0.129357  
1 1 1 59 12 4  o 5.67459  0.0758452 32.2702      0.86078  31.5271      1.25869  32.9231      1.17979  5.60161  0.112351  5.72644  0.103012  
1 1 1 59 12 5  o 6.17191  0.07675   38.1787      0.947389 37.7818      1.4047   38.5098      1.28315  6.13122  0.114553  6.19284  0.1036    
1 1 1 59 12 6  o 1.50749  0.17481   2.29995      0.527048 2.3644       0.760282 2.24032      0.731279 1.51898  0.25026   1.45666  0.26041   
1 1 1 59 12 7  o 7.2359   0.0779326 52.485       1.12783  51.9919      1.62375  52.9447      1.5677   7.19221  0.112883  7.25938  0.107977  
1 1 1 59 12 8  o 3.49619  0.0913124 12.2644      0.638491 11.2282      0.913886 13.2524      0.892422 3.33815  0.136885  3.62924  0.122949  
1 1 1 59 12 9  o 3.76604  0.0874208 14.2302      0.658461 13.5834      0.912781 14.9318      0.950792 3.67321  0.124248  3.85138  0.123435  
1 1 1 59 12 10 o 1.00941  0.264656  1.09214      0.540842 1.55978      0.732272 0.530859     0.802239 1.19938  0.304589  0.851871 0.329867  
1 1 1 59 12 11 o 3.25897  0.10005   10.6744      0.652117 11.9968      0.972919 9.59573      0.878725 3.44644  0.141149  3.08201  0.142557  
1 1 1 59 12 12 f 3.90955  0.0952079 15.3571      0.744441 16.6287      1.03233  13.9794      1.07453  4.06066  0.127114  3.71859  0.144481  
1 1 1 59 12 13 o 4.47656  0.0862685 20.1242      0.772373 20.0066      1.09273  20.2417      1.09187  4.45381  0.122673  4.48015  0.121857  
1 1 1 59 12 14 f 4.98821  0.0960877 25.017       0.958611 26.2502      1.35328  23.775       1.35809  5.09718  0.132748  4.8481   0.140064  
1 1 1 59 12 15 o 3.21723  0.107665  10.4243      0.692768 9.63913      0.992858 11.1693      0.967095 3.07999  0.161179  3.32029  0.145634  
1 1 1 59 12 16 o 0.859062 0.29757   0.724084     0.624432 0.516672     0.933881 0.891794     0.83976  0.880207 0.351734  0.96091  0.34386   
1 1 1 59 12 17 o 1.84197  0.178048  3.47066      0.65592  3.81475      0.970228 3.18102      0.890157 1.90919  0.254095  1.74303  0.255348  
1 1 1 59 12 18 o 2.07619  0.168886  4.40341      0.701278 3.6711       1.00798  5.0904       0.976291 1.86526  0.270198  2.21594  0.220289  
1 1 1 59 12 19 o 0.972386 0.312164  1.0115       0.687046 1.82147      0.988535 0.254663     0.955563 1.26595  0.368345  0.820186 0.34433   
1 1 1 59 12 20 o 3.22494  0.137984  10.5738      0.889979 13.6312      1.23375  7.25685      1.28505  3.64667  0.169162  2.62593  0.244685  
1 1 1 59 12 21 o 0.803316 0.319705  0.467116     0.768647 0.49987      1.01294  0.422652     1.1802   0.881537 0.360796  0.909841 0.382351  
1 1 1 59 12 22 f 1.2937   0.298083  1.90286      0.755917 3.36243      1.0709   0.453452     1.06716  1.7142   0.324169  0.875642 0.365533  
1 1 1 59 12 23 o 1.77352  0.211432  3.31987      0.749957 3.85158      1.00666  2.65667      1.12426  1.88076  0.267621  1.47672  0.378831  
1 1 1 59 12 24 o 0.905911 0.321184  0.887585     0.731144 0.236063     0.973334 1.73128      1.10762  0.792551 0.340632  1.18321  0.396768  
1 1 1 59 12 25 o 0.808249 0.318734  0.589049     0.757558 0.901027     0.981131 0.128459     1.19213  0.931408 0.363943  0.82058  0.363874  
1 1 1 59 12 26 o 0.856229 0.32573   0.78168      0.772655 1.0409       1.00474  0.406529     1.20871  0.954892 0.369283  0.856172 0.373863  
1 1 1 59 12 27 o 1.00222  0.332086  1.26798      0.775924 0.0783623    1.00617  3.01349      1.21879  0.740193 0.33088   1.47002  0.402781  
1 1 1 59 12 28 o 0.564622 0.267914  -0.589593    0.816863 -0.846977    1.11391  -0.290144    1.20149  0.632409 0.30375   0.716538 0.335541  
1 1 1 59 12 29 o 0.931929 0.362707  1.2032       0.97249  1.89882      1.44899  0.633039     1.31183  1.06181  0.432542  0.845371 0.377855  
1 1 1 59 12 30 o 0.680616 0.31988   -0.0652111   1.12557  0.806557     1.65276  -0.819238    1.5371   0.835149 0.391524  0.68437  0.334901  
1 1 1 59 12 31 o 0.870888 0.366258  1.23433      1.08429  0.130209     1.69226  2.00333      1.41228  0.763906 0.368727  0.983927 0.416096  
1 1 1 59 12 32 o 0.632649 0.306062  -0.104997    1.18936  1.08523      1.82235  -0.988167    1.56978  0.758613 0.369863  0.616996 0.308099  
1 1 1 59 13 0  o 2.50245  0.156593  6.36455      0.776697 6.36455      0.776697 6.36455      0.776697 2.51275  0.109761  ?        ?         
1 1 1 59 13 1  o 2.81473  0.110013  7.95976      0.619313 6.93886      0.910627 8.8383       0.844758 2.6189   0.173857  2.9613   0.142633  
1 1 1 59 13 2  o 4.97821  0.0772945 24.8402      0.769577 25.9513      1.10089  23.7785      1.07622  5.08263  0.108299  4.86472  0.110615  
1 1 1 59 13 3  o 0.744666 0.259763  0.512805     0.47655  0.260326     0.650328 0.805606     0.700335 0.722297 0.29148   0.915832 0.315339  
1 1 1 59 13 4  o 2.909    0.0945187 8.49227      0.54991  8.89744      0.760825 8.04907      0.79573  2.9732   0.127947  2.82598  0.140789  
1 1 1 59 13 5  f 3.74713  0.080493  14.0773      0.603236 13.5365      0.830061 14.6827      0.87818  3.66979  0.113094  3.82168  0.114894  
1 1 1 59 13 6  o 2.16018  0.117042  4.69207      0.505665 3.55092      0.681727 6.08783      0.753951 1.87183  0.182102  2.45563  0.153515  
1 1 1 59 13 7  o 4.43313  0.0768427 19.7013      0.681308 19.445       0.945916 19.9776      0.982134 4.39891  0.107517  4.45821  0.110149  
1 1 1 59 13 8  o 6.01365  0.079439  36.2685      0.955436 34.7259      1.35167  37.8089      1.35071  5.87508  0.115034  6.13188  0.110138  
1 1 1 59 13 9  o 1.45209  0.184925  2.14446      0.537057 2.60534      0.743028 1.64029      0.777146 1.59283  0.233241  1.22786  0.314954  
1 1 1 59 13 10 o 3.72425  0.090112  13.927       0.671199 14.1746      0.950351 13.6805      0.948089 3.74975  0.126722  3.68334  0.1287    
1 1 1 59 13 11 o 3.74477  0.0913334 14.0851      0.684045 14.2666      0.998041 13.9243      0.939393 3.75961  0.132732  3.71583  0.126404  
1 1 1 59 13 12 o 4.50611  0.085619  20.3896      0.771617 20.6538      1.10299  20.1363      1.07984  4.52551  0.121864  4.46877  0.120821  
1 1 1 59 13 13 o 5.0832   0.090556  25.963       0.920628 23.3088      1.31691  28.5002      1.28752  4.8015   0.137135  5.31573  0.121105  
1 1 1 59 13 14 o 2.21706  0.144248  4.97792      0.639615 4.69424      0.924409 5.23848      0.885923 2.13603  0.216385  2.26221  0.195809  
1 1 1 59 13 15 o 1.39003  0.220191  1.99297      0.612146 1.2356       0.89487  2.65908      0.839217 1.07914  0.356633  1.59504  0.263071  
1 1 1 59 13 16 o 0.994344 0.292324  1.07126      0.619488 0.658069     0.922589 1.41052      0.835978 0.910215 0.35348   1.13113  0.341228  
1 1 1 59 13 17 o 1.52264  0.212527  2.39709      0.647203 1.97798      0.942589 2.77092      0.890221 1.32247  0.350614  1.59426  0.289905  
1 1 1 59 13 18 f 0.983831 0.30947   1.04331      0.678051 1.71603      0.983032 0.432793     0.936479 1.2322   0.369684  0.854616 0.347867  
1 1 1 59 13 19 o 2.25692  0.166686  5.21531      0.752394 5.57188      1.03734  4.81949      1.09293  2.31116  0.224419  2.13629  0.255801  
1 1 1 59 13 20 f 1.53431  0.244156  2.48091      0.749225 2.76201      1.02572  2.15939      1.097    1.55805  0.338636  1.35704  0.385849  
1 1 1 59 13 21 o 2.23765  0.176738  5.17438      0.790957 3.84838      1.14248  6.39498      1.09613  1.87074  0.305355  2.46454  0.222379  
1 1 1 59 13 22 o 0.586701 0.268701  -0.374358    0.716579 -0.342891    0.964206 -0.413179    1.07097  0.694305 0.315882  0.722057 0.329773  
1 1 1 59 13 23 o 0.750365 0.305736  0.370638     0.724099 -0.159445    0.953231 1.0938       1.11338  0.716299 0.321079  1.01835  0.389956  
1 1 1 59 13 24 o 0.613555 0.277926  -0.224794    0.732613 0.402798     0.953126 -1.13095     1.14528  0.815975 0.343288  0.648745 0.310723  
1 1 1 59 13 25 f 1.50031  0.27121   2.59347      0.783965 3.4926       1.02116  1.30283      1.22344  1.71394  0.309203  1.04023  0.406419  
1 1 1 59 13 26 o 1.18959  0.317175  1.74961      0.768642 2.99434      1.00915  0.0296431    1.18625  1.55206  0.334644  0.787026 0.355228  
1 1 1 59 13 27 o 0.632348 0.286194  -0.0909701   0.775207 0.0937387    1.03387  -0.328182    1.17163  0.739487 0.332815  0.714796 0.333653  
1 1 1 59 13 28 f 0.860946 0.337872  0.916114     0.847483 0.0508759    1.20158  1.77261      1.19549  0.753973 0.346411  1.07033  0.405757  
1 1 1 59 13 29 o 0.697978 0.319483  0.0905277    1.01143  0.466221     1.5655   -0.178651    1.32513  0.8275   0.386036  0.726243 0.343009  
1 1 1 59 13 30 o 0.634498 0.299692  -0.189976    1.01169  1.39468      1.4809   -1.57681     1.38538  0.880933 0.397295  0.597241 0.296988  
1 1 1 59 13 31 o 0.709256 0.332748  0.285013     1.20181  -0.514747    1.82824  0.893568     1.59479  0.711215 0.351213  0.800098 0.377409  
1 1 1 59 14 0  o 3.15549  0.141798  10.0569      0.890768 10.0569      0.890768 10.0569      0.890768 3.16341  0.0997801 ?        ?         
1 1 1 59 14 1  f 1.49158  0.190669  2.25714      0.568797 2.89993      0.844839 1.72421      0.769263 1.6817   0.251186  1.26485  0.306802  
1 1 1 59 14 2  o 4.9979   0.0765202 25.0376      0.764881 26.2216      1.07694  23.8324      1.08653  5.10926  0.105391  4.86962  0.111563  
1 1 1 59 14 3  o 4.02532  0.0786868 16.2435      0.633479 16.4525      0.877423 16.016       0.915542 4.04653  0.108417  3.99136  0.114691  
1 1 1 59 14 4  o 2.66112  0.10076   7.11057      0.53627  6.85637      0.727056 7.41389      0.794184 2.60813  0.139383  2.71098  0.146476  
1 1 1 59 14 5  o 2.19997  0.115582  4.86735      0.508553 4.72329      0.707966 5.02094      0.730993 2.16093  0.16381   2.22794  0.164051  
1 1 1 59 14 6  o 3.2736   0.0870407 10.7533      0.569873 11.2334      0.798151 10.2541      0.813925 3.34081  0.119455  3.19042  0.127557  
1 1 1 59 14 7  o 4.08535  0.079551  16.7422      0.649987 16.1826      0.892745 17.3734      0.9482   4.01062  0.111298  4.15493  0.114105  
1 1 1 59 14 8  o 4.10917  0.0816604 16.9418      0.671113 15.7185      0.90961  18.4031      0.994218 3.95161  0.115094  4.27547  0.11627   
1 1 1 59 14 9  o 0.988099 0.245928  1.04521      0.484664 0.966758     0.621524 1.16693      0.774188 0.958987 0.295223  1.05127  0.330682  
1 1 1 59 14 10 o 1.79637  0.157347  3.26991      0.565307 3.38264      0.790416 3.15186      0.808831 1.81615  0.217608  1.75033  0.231051  
1 1 1 59 14 11 o 3.03586  0.107927  9.27769      0.655302 10.0348      0.980668 8.66691      0.880826 3.14595  0.155862  2.92503  0.150567  
1 1 1 59 14 12 o 1.81478  0.155553  3.34022      0.564589 2.18311      0.803915 4.46639      0.793093 1.41861  0.293306  2.0914   0.189608  
1 1 1 59 14 13 o 2.24598  0.13313   5.09904      0.598015 5.33944      0.87388  4.88731      0.820119 2.28516  0.191208  2.18719  0.187482  
1 1 1 59 14 14 f 1.31544  0.240225  1.84532      0.608539 2.29905      0.904857 1.47063      0.822268 1.44306  0.321811  1.15579  0.33583   
1 1 1 59 14 15 o 3.95231  0.0970624 15.7233      0.767242 16.7243      1.13328  14.8762      1.04249  4.06212  0.139493  3.83238  0.136011  
1 1 1 59 14 16 o 0.575036 0.259417  -0.267293    0.631869 -0.236471    0.931005 -0.293614    0.860366 0.71622  0.319272  0.676847 0.304172  
1 1 1 59 14 17 o 1.58714  0.210128  2.60388      0.667005 1.51576      0.959589 3.62109      0.927791 1.16655  0.36836   1.85922  0.249511  
1 1 1 59 14 18 o 0.71546  0.298531  0.192444     0.711301 -0.839013    0.974782 1.36715      1.04027  0.639842 0.300091  1.12207  0.384516  
1 1 1 59 14 19 o 2.03073  0.190853  4.25636      0.775142 4.5422       1.11136  3.98558      1.08168  2.06625  0.268931  1.93059  0.280142  
1 1 1 59 14 20 o 3.20796  0.126307  10.4581      0.810373 9.18451      1.112    11.9006      1.18341  2.97859  0.186666  3.39803  0.174132  
1 1 1 59 14 21 o 0.75989  0.309451  0.366825     0.7414   0.897542     1.02668  -0.211537    1.07177  0.966625 0.373402  0.754293 0.339204  
1 1 1 59 14 22 o 1.58889  0.239983  2.70657      0.762613 2.55503      1.04475  2.87939      1.11574  1.45852  0.359893  1.5466   0.365957  
1 1 1 59 14 23 o 1.66979  0.220122  2.97758      0.735113 2.16047      0.949887 4.19774      1.16074  1.33387  0.351205  1.93005  0.300702  
1 1 1 59 14 24 o 1.78844  0.216604  3.44196      0.774765 3.7408       1.00669  3.00781      1.21339  1.8237   0.276003  1.52241  0.395143  
1 1 1 59 14 25 o 1.0857   0.329043  1.46472      0.776141 1.03617      1.01095  2.07993      1.21127  0.954165 0.370128  1.22886  0.414917  
1 1 1 59 14 26 o 0.834035 0.319709  0.754514     0.749018 0.588045     0.977811 0.9909       1.1652   0.830831 0.348535  0.942524 0.386562  
1 1 1 59 14 27 o 0.606651 0.281863  -0.313897    0.82391  -0.833668    1.14349  0.247279     1.18816  0.642852 0.308521  0.786375 0.355193  
1 1 1 59 14 28 o 0.657789 0.301048  -0.0842386   0.897741 -1.8145      1.36056  1.24997      1.19474  0.611715 0.302295  0.94606  0.390295  
1 1 1 59 14 29 o 0.845102 0.356585  1.03004      1.03337  1.55339      1.54831  0.60967      1.38766  0.92755  0.412652  0.80136  0.369814  
1 1 1 59 14 30 o 0.710818 0.323015  0.367497     1.00176  -0.121714    1.47522  0.786112     1.36464  0.719787 0.346652  0.803936 0.369283  
1 1 1 59 14 31 o 0.520224 0.261749  -1.69804     1.19937  -2.08653     1.6664   -1.2805      1.72757  0.577901 0.292178  0.619601 0.311772  
1 1 1 59 15 0  o 0.49814  0.331253  -0.133093    0.84318  -0.133093    0.84318  -0.133093    0.84318  0.412422 0.275318  ?        ?         
1 1 1 59 15 1  o 3.85711  0.0894686 14.9289      0.690181 15.2962      0.991554 14.5836      0.961276 3.89733  0.127209  3.80566  0.126296  
1 1 1 59 15 2  o 2.43074  0.115379  5.94312      0.560912 5.21742      0.723258 7.03829      0.888495 2.27147  0.159205  2.63647  0.168501  
1 1 1 59 15 3  o 2.54595  0.104997  6.51431      0.534634 6.76005      0.712654 6.19799      0.808571 2.58888  0.137637  2.47461  0.163374  
1 1 1 59 15 4  o 1.8835   0.131785  3.57681      0.496434 3.85306      0.684889 3.27101      0.720599 1.94875  0.175726  1.79154  0.201111  
1 1 1 59 15 5  f 2.05639  0.126232  4.2622       0.519162 5.0018       0.73254  3.51584      0.735884 2.22164  0.164865  1.85718  0.198119  
1 1 1 59 15 6  o 2.31909  0.112666  5.41239      0.522565 6.01386      0.726957 4.76928      0.7517   2.43884  0.149038  2.16766  0.173389  
1 1 1 59 15 7  o 4.65587  0.0772362 21.7426      0.719203 21.3721      0.99764  22.1436      1.03776  4.60934  0.108219  4.69118  0.110607  
1 1 1 59 15 8  o 2.31825  0.112488  5.40982      0.521553 5.92563      0.695634 4.74763      0.78818  2.42121  0.143654  2.16016  0.182436  
1 1 1 59 15 9  o 2.34821  0.112006  5.55227      0.526026 5.35322      0.687896 5.83257      0.816305 2.29949  0.149576  2.39588  0.170356  
1 1 1 59 15 10 o 1.64535  0.154697  2.74441      0.509061 4.21681      0.671927 0.760655     0.779926 2.03757  0.164884  0.911033 0.330847  
1 1 1 59 15 11 o 2.27023  0.14199   5.21525      0.644697 6.11736      0.870761 4.1208       0.959108 2.4506   0.177663  1.99625  0.240228  
1 1 1 59 15 12 o 1.85799  0.163796  3.50891      0.608664 2.73196      0.779161 4.72536      0.974942 1.62424  0.239854  2.13974  0.227818  
1 1 1 59 15 13 o 4.08915  0.0891284 16.8069      0.728918 18.1542      1.04468  15.5286      1.01754  4.23992  0.123196  3.91924  0.129814  
1 1 1 59 15 14 o 1.25841  0.235415  1.69192      0.570545 0.682418     0.846904 2.53081      0.772029 0.898187 0.341217  1.5581   0.247746  
1 1 1 59 15 15 o 0.663334 0.273687  0.182976     0.587547 -0.763546    0.862787 1.00151      0.802335 0.603839 0.283048  0.985024 0.337681  
1 1 1 59 15 16 o 1.99186  0.167084  4.05171      0.665615 3.68675      0.945119 4.41087      0.93757  1.8753   0.251991  2.05999  0.227566  
1 1 1 59 15 17 o 3.18193  0.123519  10.2479      0.786058 11.1283      1.10593  9.34903      1.11747  3.29916  0.167608  3.01662  0.185218  
1 1 1 59 15 18 o 1.52123  0.236452  2.42775      0.719396 3.29859      1.04071  1.63085      0.995548 1.72241  0.31372   1.19566  0.374767  
1 1 1 59 15 19 o 1.28958  0.279725  1.84744      0.701177 2.26408      1.02719  1.48392      0.959496 1.39247  0.364565  1.1421   0.369129  
1 1 1 59 15 20 o 1.73349  0.211834  3.15578      0.734423 2.51064      1.01576  3.86249      1.06312  1.46088  0.351418  1.88282  0.282322  
1 1 1 59 15 21 o 0.805783 0.31306   0.55792      0.723823 0.534486     0.971998 0.587093     1.0845   0.864115 0.353509  0.902903 0.372063  
1 1 1 59 15 22 o 0.692289 0.296048  0.135981     0.728781 0.597499     0.973427 -0.452633    1.09932  0.872816 0.354868  0.720592 0.331187  
1 1 1 59 15 23 o 1.48144  0.264156  2.4803       0.754529 2.04585      0.946631 3.23716      1.24945  1.28591  0.356129  1.5931   0.393863  
1 1 1 59 15 24 o 0.854671 0.321749  0.779017     0.747653 2.07395      0.977955 -1.04239     1.15984  1.26811  0.365529  0.652137 0.31243   
1 1 1 59 15 25 o 1.32828  0.298576  2.12504      0.77384  1.80065      1.03388  2.53828      1.1669   1.1621   0.383333  1.36161  0.401495  
1 1 1 59 15 26 o 0.77756  0.330911  0.464357     0.902801 0.943733     1.25927  -0.0425959   1.29499  0.924246 0.391985  0.77912  0.358661  
1 1 1 59 15 27 o 1.94825  0.234491  4.36633      0.913693 6.14387      1.35493  2.88387      1.23737  2.21308  0.306119  1.35824  0.416233  
1 1 1 59 15 28 o 0.575522 0.278658  -0.892714    0.993827 -0.370334    1.50105  -1.30043     1.32612  0.741329 0.355225  0.629834 0.30898   
1 1 1 59 15 29 o 0.657926 0.308202  -0.0236789   1.01695  -0.551142    1.52811  0.39563      1.36246  0.69289  0.337975  0.758012 0.355383  
1 1 1 59 15 30 o 0.923777 0.381235  1.59846      1.14031  2.7479       1.66527  0.583642     1.56472  1.0334   0.444882  0.777699 0.369862  
1 1 1 59 16 0  o 5.63409  0.109573  31.8737      1.23363  31.8737      1.23363  31.8737      1.23363  5.63992  0.0773662 ?        ?         
1 1 1 59 16 1  o 1.87061  0.148184  3.53748      0.55439  4.98769      0.779281 2.05141      0.788858 2.21642  0.175797  1.37837  0.294748  
1 1 1 59 16 2  o 1.66078  0.168624  2.79737      0.560095 1.94175      0.730475 4.01805      0.872501 1.34407  0.280869  1.98079  0.220241  
1 1 1 59 16 3  o 1.99741  0.133666  4.02541      0.533974 5.13458      0.740266 2.82231      0.770976 2.25081  0.164444  1.65773  0.23254   
1 1 1 59 16 4  o 2.76728  0.100904  7.69716      0.558458 7.96027      0.758477 7.38565      0.825305 2.80853  0.135031  2.70183  0.152731  
1 1 1 59 16 5  o 3.00947  0.0961617 9.09946      0.578791 9.36263      0.780217 8.77738      0.863114 3.04717  0.128023  2.94663  0.146458  
1 1 1 59 16 6  o 2.2544   0.115185  5.11753      0.519348 5.84625      0.720939 4.33141      0.748792 2.4038   0.149958  2.06351  0.181437  
1 1 1 59 16 7  o 3.62808  0.0841297 13.2136      0.610458 12.0345      0.830347 14.6006      0.900556 3.45548  0.120149  3.80655  0.11829   
1 1 1 59 16 8  o 1.33639  0.183008  1.81996      0.489141 1.84378      0.635189 1.78526      0.76673  1.3147   0.250574  1.27862  0.303894  
1 1 1 59 16 9  o 0.694529 0.289555  0.151692     0.668306 0.15233      0.934805 0.151024     0.955799 0.800202 0.33847   0.807495 0.341936  
1 1 1 59 16 10 o 2.48197  0.150866  6.24381      0.748889 5.7509       1.0139   6.83557      1.11092  2.36584  0.214278  2.57897  0.215381  
1 1 1 59 16 11 o 3.1298   0.126024  9.8918       0.788862 9.86913      1.12838  9.91347      1.10328  3.10974  0.181427  3.11826  0.176906  
1 1 1 59 16 12 o 2.17217  0.168343  4.80512      0.731339 3.76436      0.999138 6.00631      1.07339  1.89773  0.263246  2.41209  0.222502  
1 1 1 59 16 13 o 2.39944  0.171754  5.87518      0.824229 6.62388      1.10511  4.93662      1.23733  2.53222  0.218211  2.16129  0.286248  
1 1 1 59 16 14 o 1.65677  0.233061  2.85611      0.772258 2.76703      1.04574  2.96297      1.14531  1.57024  0.342477  1.61677  0.363109  
1 1 1 59 16 15 o 3.42345  0.118891  11.8457      0.814037 11.7681      1.07091  11.9519      1.25281  3.39857  0.157554  3.41376  0.183494  
1 1 1 59 16 16 o 1.49444  0.212337  2.31203      0.63465  2.39606      0.921644 2.23625      0.875215 1.46429  0.32336   1.41627  0.316959  
1 1 1 59 16 17 o 1.80169  0.182269  3.34046      0.656784 3.27642      1.00148  3.38878      0.870001 1.74859  0.286369  1.79544  0.24228   
1 1 1 59 16 18 f 0.864389 0.302321  0.75429      0.645848 0.984827     0.95871  0.562736     0.873904 0.994371 0.366252  0.861022 0.341452  
1 1 1 59 16 19 o 2.91385  0.138647  8.66589      0.807993 8.82969      1.09466  8.46982      1.19761  2.91684  0.187646  2.84336  0.210598  
1 1 1 59 16 20 o 2.62482  0.153211  7.08421      0.804304 7.25722      1.09327  6.88008      1.18748  2.62664  0.208111  2.54121  0.233645  
1 1 1 59 16 21 o 1.16602  0.301977  1.57222      0.709657 1.03444      0.932549 2.31211      1.09385  0.981828 0.36126   1.36965  0.383971  
1 1 1 59 16 22 o 0.795385 0.310357  0.560767     0.712969 1.66748      0.911606 -1.18255     1.14413  1.16847  0.3571    0.644758 0.309235  
1 1 1 59 16 23 o 0.57831  0.270687  -0.529113    0.778612 -0.310176    1.03291  -0.817231    1.18492  0.705084 0.322787  0.688397 0.324894  
1 1 1 59 16 24 o 1.75971  0.230879  3.40705      0.812562 3.53924      1.11473  3.25719      1.18693  1.68974  0.341801  1.58048  0.37968   
1 1 1 59 16 25 o 0.550657 0.263769  -0.806442    0.825836 -0.934909    1.195    -0.688998    1.14258  0.661893 0.31711   0.672507 0.318042  
1 1 1 59 16 26 o 1.69272  0.274507  3.42479      0.929324 2.97057      1.34237  3.84285      1.28785  1.36234  0.43624   1.63283  0.397531  
1 1 1 59 16 27 o 1.11025  0.357367  1.77232      0.899989 2.84954      1.2989   0.777618     1.24817  1.31498  0.429665  0.863074 0.378369  
1 1 1 59 16 28 o 0.605486 0.288472  -0.402098    0.955586 1.24947      1.41604  -1.78315     1.29488  0.888637 0.395007  0.575146 0.286156  
1 1 1 59 16 29 o 0.819561 0.357933  0.974747     1.10827  2.19951      1.51337  -0.441719    1.6275   0.99865  0.426823  0.711946 0.347545  
1 1 1 59 16 30 o 1.31541  0.422601  3.69209      1.25899  4.80384      1.87469  2.77877      1.69918  1.17061  0.486304  0.941713 0.425091  
1 1 1 59 17 0  o 3.05288  0.149722  9.43982      0.909154 9.43982      0.909154 9.43982      0.909154 3.06272  0.105232  ?        ?         
1 1 1 59 17 1  o 1.99236  0.139973  4.00925      0.557754 3.55709      0.77013  4.50804      0.808862 1.86578  0.206382  2.1034   0.192275  
1 1 1 59 17 2  o 2.22512  0.127263  4.99254      0.566351 5.33079      0.784887 4.62513      0.818025 2.29154  0.171257  2.1304   0.191988  
1 1 1 59 17 3  o 1.08401  0.238902  1.25537      0.504002 0.699632     0.697924 1.86104      0.728597 0.87302  0.313372  1.31258  0.285512  
1 1 1 59 17 4  o 2.09853  0.129288  4.44328      0.542628 4.09972      0.732643 4.86074      0.807605 2.00687  0.182533  2.18473  0.184829  
1 1 1 59 17 5  o 5.58572  0.0833977 31.3201      0.931673 30.5524      1.3878   31.9499      1.25705  5.50323  0.12609   5.63302  0.111578  
1 1 1 59 17 6  o 1.73673  0.155357  3.05767      0.539626 2.28841      0.699283 4.19016      0.84846  1.48947  0.234743  2.0217   0.209839  
1 1 1 59 17 7  o 1.8244   0.142187  3.36735      0.518811 3.05863      0.65714  3.87818      0.845312 1.7309   0.189826  1.94282  0.217547  
1 1 1 59 17 8  o 3.53466  0.112769  12.5875      0.797203 11.9478      1.06254  13.4113      1.20585  3.4324   0.15478   3.63276  0.165968  
1 1 1 59 17 9  o 0.742421 0.304333  0.252307     0.721829 -0.749253    0.934781 1.73156      1.13604  0.641837 0.298988  1.25435  0.40128   
1 1 1 59 17 10 o 3.85172  0.116059  14.9609      0.894055 15.2573      1.17392  14.5515      1.37961  3.87803  0.151355  3.77493  0.182733  
1 1 1 59 17 11 o 3.06344  0.141321  9.50784      0.865856 10.629       1.18031  8.20147      1.27407  3.22477  0.183006  2.81667  0.226167  
1 1 1 59 17 12 f 2.07935  0.202379  4.4479       0.841634 4.79142      1.15927  4.06503      1.22386  2.1345   0.271555  1.95006  0.313801  
1 1 1 59 17 13 o 0.801043 0.322982  0.391131     0.797532 -0.189059    1.09585  1.04447      1.16289  0.786425 0.348782  1.05905  0.400566  
1 1 1 59 17 14 o 2.00733  0.2162    4.17224      0.86797  4.72927      1.19286  3.54547      1.26533  2.11166  0.282447  1.76691  0.369981  
1 1 1 59 17 15 o 2.94684  0.147448  8.82989      0.869013 7.26318      1.22174  10.4342      1.23633  2.64087  0.231313  3.18407  0.194143  
1 1 1 59 17 16 o 2.11945  0.190297  4.63415      0.80665  3.84066      1.19689  5.29452      1.09188  1.84952  0.33596   2.24393  0.243296  
1 1 1 59 17 17 o 0.676269 0.277364  0.222977     0.599884 0.021239     0.845331 0.427638     0.851431 0.725995 0.314804  0.820814 0.332575  
1 1 1 59 17 18 o 3.0036   0.128733  9.17755      0.773324 9.28049      1.0199   9.03833      1.18612  3.00174  0.169885  2.945    0.201377  
1 1 1 59 17 19 o 0.584274 0.268392  -0.404809    0.720906 -0.0206299   0.967257 -0.884899    1.08128  0.751615 0.331227  0.664292 0.31259   
1 1 1 59 17 20 o 1.7737   0.206875  3.31436      0.733867 3.0887       0.953822 3.64174      1.14887  1.64843  0.30044   1.76751  0.337094  
1 1 1 59 17 21 o 0.638884 0.281738  -0.0492628   0.701418 -0.35184     0.920472 0.36974      1.08318  0.670585 0.306041  0.848647 0.361854  
1 1 1 59 17 22 o 1.29828  0.290834  1.96754      0.736299 2.09532      0.942541 1.76748      1.1794   1.29909  0.353435  1.1719   0.408666  
1 1 1 59 17 23 o 1.42448  0.30445   2.43298      0.842009 2.55822      1.15421  2.29051      1.23106  1.38089  0.396801  1.28734  0.418294  
1 1 1 59 17 24 o 0.953602 0.341228  1.09781      0.826944 0.196104     1.19518  1.92591      1.14536  0.812749 0.362038  1.18391  0.403471  
1 1 1 59 17 25 o 1.01423  0.352142  1.37682      0.874897 2.39919      1.30687  0.546476     1.17776  1.24103  0.430432  0.841462 0.368228  
1 1 1 59 17 26 o 1.33953  0.344804  2.45475      0.929022 1.78152      1.3366   3.08399      1.2922   1.05954  0.421615  1.39391  0.42499   
1 1 1 59 17 27 o 0.94047  0.362208  1.31321      0.964524 0.260052     1.37774  2.32551      1.35075  0.786148 0.364963  1.13222  0.430691  
1 1 1 59 17 28 o 0.687151 0.317257  0.178876     1.02282  1.49806      1.43853  -1.16993     1.45459  0.902239 0.399945  0.63851  0.31482   
1 1 1 59 17 29 o 0.792467 0.35017   0.875124     1.09097  -0.0825529   1.50447  1.93723      1.58437  0.715862 0.345956  0.933964 0.416412  
1 1 1 59 18 0  o 2.06414  0.221033  4.46066      0.888569 4.46066      0.888569 4.46066      0.888569 2.08897  0.152247  ?        ?         
1 1 1 59 18 1  o 3.15262  0.0976841 9.99224      0.615922 10.2497      0.876458 9.74108      0.865732 3.18456  0.137611  3.1041   0.13945   
1 1 1 59 18 2  o 1.68083  0.165673  2.86913      0.556936 3.46993      0.790301 2.27639      0.78498  1.83875  0.214901  1.45509  0.279716  
1 1 1 59 18 3  o 3.43028  0.0945674 11.8268      0.648785 11.8329      0.866086 11.8191      0.979361 3.42424  0.126464  3.41785  0.143271  
1 1 1 59 18 4  o 1.39798  0.177948  1.98997      0.497536 2.20065      0.687266 1.75796      0.721203 1.4603   0.235318  1.2719   0.289869  
1 1 1 59 18 5  o 0.454338 0.212971  -0.476135    0.488499 -0.968045    0.672316 0.0739941    0.71099  0.486092 0.234082  0.693183 0.294291  
1 1 1 59 18 6  o 1.71991  0.147338  2.99599      0.506817 2.56139      0.684555 3.52318      0.753956 1.57868  0.216813  1.85453  0.203274  
1 1 1 59 18 7  o 2.46137  0.144438  6.13454      0.71103  5.51533      1.03959  6.6788       0.974643 2.31338  0.224692  2.55636  0.190631  
1 1 1 59 18 8  o 2.88184  0.133302  8.39623      0.768309 10.1185      1.13349  6.93234      1.045    3.14928  0.17996   2.60036  0.200935  
1 1 1 59 18 9  o 2.03877  0.194013  4.25682      0.791096 4.71788      1.06113  3.67991      1.18698  2.12981  0.249113  1.82879  0.337179  
1 1 1 59 18 10 o 3.8993   0.111847  15.3318      0.872248 14.0666      1.23129  16.6064      1.23581  3.71651  0.165652  4.04356  0.152812  
1 1 1 59 18 11 o 3.26991  0.132265  10.826       0.864987 10.5397      1.29297  11.058       1.16376  3.20024  0.202012  3.28884  0.176925  
1 1 1 59 18 12 o 1.46623  0.264109  2.3213       0.746235 4.00352      1.13486  1.03989      0.99048  1.93988  0.292508  1.02728  0.372863  
1 1 1 59 18 13 o 2.16508  0.177233  4.7994       0.76745  5.05706      1.17885  4.60988      1.01105  2.18927  0.269233  2.10133  0.240574  
1 1 1 59 18 14 o 3.31318  0.143424  11.1517      0.950378 10.8946      1.25136  11.5022      1.46093  3.25446  0.192252  3.33003  0.219356  
1 1 1 59 18 15 o 1.54215  0.254152  2.51164      0.78388  0.776493     1.09787  4.31615      1.1196   0.972093 0.383591  2.01122  0.278337  
1 1 1 59 18 16 o 1.3094   0.312022  1.9281       0.806656 1.88682      1.22332  1.95987      1.07298  1.27412  0.416976  1.2981   0.385575  
1 1 1 59 18 17 o 2.13893  0.187072  4.7386       0.800266 3.54941      1.17608  5.76397      1.09208  1.758    0.346842  2.33695  0.233654  
1 1 1 59 18 18 o 0.637895 0.283206  -0.130768    0.725064 -0.125158    1.01829  -0.136538    1.03265  0.751125 0.334393  0.754082 0.336196  
1 1 1 59 18 19 o 1.23163  0.31439   1.76234      0.777169 2.49007      1.09966  1.03613      1.09851  1.42961  0.378556  1.00738  0.386883  
1 1 1 59 18 20 o 0.639852 0.283993  -0.103894    0.728408 -0.164689    0.998855 -0.0348415   1.06453  0.729812 0.327866  0.772871 0.34314   
1 1 1 59 18 21 o 1.33269  0.277131  2.0371       0.714155 2.09247      0.943076 1.96266      1.09347  1.30354  0.35304   1.2402   0.393381  
1 1 1 59 18 22 o 2.16945  0.193876  5.01631      0.841209 4.65026      1.18004  5.39455      1.1995   2.00942  0.293626  2.18213  0.274847  
1 1 1 59 18 23 o 1.82022  0.231674  3.65233      0.843396 3.17588      1.16152  4.18369      1.22663  1.56097  0.375971  1.83248  0.347292  
1 1 1 59 18 24 o 1.74878  0.247188  3.4753       0.864555 1.56981      1.21923  5.40243      1.22613  1.06216  0.407682  2.13623  0.286984  
1 1 1 59 18 25 o 0.730944 0.321474  0.283799     0.906966 -0.336856    1.29036  0.889829     1.27507  0.729334 0.342695  0.897257 0.387812  
1 1 1 59 18 26 o 0.641056 0.297414  -0.219043    0.913063 -1.1328      1.2771   0.736411     1.30591  0.64115  0.312034  0.860688 0.381354  
1 1 1 59 18 27 o 0.804356 0.34539   0.833672     0.999118 -0.391752    1.34274  2.35381      1.49551  0.689625 0.331781  1.06033  0.436922  
1 1 1 59 18 28 o 0.694358 0.32159   0.196905     1.06166  0.424704     1.45183  -0.0649059   1.55644  0.767507 0.361467  0.732675 0.353644  
1 1 1 59 18 29 o 0.630534 0.306975  -0.317636    1.23883  -0.0391175   1.99169  -0.493385    1.58213  0.714408 0.355368  0.657716 0.325258  
1 1 1 59 19 0  o 2.42579  0.185579  6.04485      0.888233 6.04485      0.888233 6.04485      0.888233 2.44251  0.129401  ?        ?         
1 1 1 59 19 1  o 2.76477  0.107409  7.69565      0.59392  7.52127      0.836322 7.87308      0.843586 2.72372  0.153526  2.78723  0.15133   
1 1 1 59 19 2  o 2.60956  0.110109  6.85836      0.574672 6.48281      0.80301  7.25261      0.822768 2.52743  0.158859  2.6745   0.153817  
1 1 1 59 19 3  o 2.10633  0.130318  4.48127      0.548988 3.87348      0.745234 5.20249      0.811803 1.94709  0.191372  2.25938  0.179652  
1 1 1 59 19 4  o 1.27899  0.19695   1.67386      0.503796 1.50006      0.700983 1.85953      0.724551 1.17165  0.298288  1.30865  0.284769  
1 1 1 59 19 5  o 2.7159   0.103677  7.42436      0.563154 8.38178      0.778432 6.37304      0.815715 2.87906  0.135188  2.50423  0.162867  
1 1 1 59 19 6  o 2.08859  0.165353  4.43615      0.690709 4.55581      1.00224  4.32791      0.953221 2.09726  0.23894   2.04588  0.232961  
1 1 1 59 19 7  o 1.73877  0.20091   3.10109      0.698672 3.97877      1.00573  2.28244      0.971315 1.95352  0.257414  1.43097  0.343279  
1 1 1 59 19 8  o 1.46348  0.234861  2.21968      0.687429 2.15106      0.997948 2.28165      0.948295 1.38339  0.358019  1.4317   0.336492  
1 1 1 59 19 9  o 0.847317 0.312524  0.642861     0.698271 1.27414      1.0036   0.0505253    0.972156 1.10083  0.37764   0.787762 0.339533  
1 1 1 59 19 10 o 2.83176  0.137492  8.13032      0.778686 8.05708      1.10342  8.20297      1.09905  2.79895  0.197114  2.8252   0.194507  
1 1 1 59 19 11 o 3.30455  0.134607  11.0687      0.889634 11.5486      1.24115  10.5616      1.27584  3.35555  0.184939  3.20254  0.199191  
1 1 1 59 19 12 o 2.17341  0.17076   4.82857      0.742263 4.56112      1.10873  5.04579      0.999223 2.0801   0.266509  2.20352  0.226734  
1 1 1 59 19 13 o 1.91173  0.199771  3.7686       0.763815 4.08591      1.1626   3.52763      1.01315  1.95495  0.297348  1.82403  0.277724  
1 1 1 59 19 14 o 1.63314  0.242548  2.80376      0.79223  3.63794      1.13139  2.00126      1.10969  1.80511  0.325257  1.31124  0.392654  
1 1 1 59 19 15 o 3.00995  0.140498  9.21795      0.845788 8.58954      1.24729  9.75287      1.15078  2.87134  0.217197  3.07559  0.187083  
1 1 1 59 19 16 o 2.51526  0.17058   6.51209      0.858109 6.81416      1.24878  6.24186      1.18114  2.53453  0.246353  2.42749  0.243285  
1 1 1 59 19 17 o 1.38987  0.293299  2.18278      0.789932 1.86999      1.12685  2.48499      1.10766  1.2454   0.39978   1.43608  0.379774  
1 1 1 59 19 18 o 1.05413  0.327335  1.28176      0.761863 0.405163     1.09411  2.10687      1.0615   0.867803 0.366576  1.31513  0.381389  
1 1 1 59 19 19 o 1.33607  0.279924  2.02395      0.723959 1.36894      0.987161 2.78621      1.06492  1.0823   0.374218  1.52382  0.355578  
1 1 1 59 19 20 f 1.2472   0.299852  1.81922      0.739847 2.13436      1.0238   1.47476      1.07036  1.30794  0.373029  1.10327  0.38887   
1 1 1 59 19 21 o 0.698573 0.305873  0.0738991    0.813613 -0.212774    1.18317  0.33106      1.12062  0.764306 0.348314  0.834077 0.362075  
1 1 1 59 19 22 o 0.871884 0.335141  0.812365     0.824916 0.950094     1.18596  0.683272     1.14818  0.954106 0.39043   0.894759 0.376623  
1 1 1 59 19 23 o 0.8791   0.338577  0.861359     0.842785 1.8739       1.20108  -0.120722    1.18288  1.15537  0.411456  0.758729 0.346544  
1 1 1 59 19 24 o 1.52066  0.303771  2.88921      0.891186 2.10081      1.30648  3.57527      1.21874  1.15813  0.427422  1.59685  0.385441  
1 1 1 59 19 25 o 0.707871 0.318128  0.139252     0.94123  2.57323      1.30164  -2.5283      1.36266  1.24941  0.429931  0.570435 0.285162  
1 1 1 59 19 26 o 0.929877 0.358515  1.29716      0.945492 1.84609      1.36795  0.795061     1.3083   1.01817  0.418427  0.84127  0.376649  
1 1 1 59 19 27 o 1.15209  0.384241  2.32062      1.03878  2.59445      1.43689  2.02082      1.50349  1.08663  0.435431  0.972613 0.42076   
1 1 1 59 19 28 o 1.00779  0.383789  1.90224      1.07357  3.11978      1.56241  0.813237     1.47764  1.12617  0.452896  0.797537 0.373217  
1 1 1 59 20 0  o 4.19211  0.121625  17.6976      1.01779  17.6976      1.01779  17.6976      1.01779  4.19946  0.0857688 ?        ?         
1 1 1 59 20 1  o 0.715084 0.278407  0.35905      0.573073 0.846579     0.792384 -0.175615    0.829807 0.938894 0.334215  0.690259 0.30515   
1 1 1 59 20 2  o 2.60321  0.109902  6.82729      0.572195 7.68533      0.805199 5.95196      0.813274 2.75394  0.14619   2.41842  0.168141  
1 1 1 59 20 3  o 2.48861  0.113492  6.24288      0.564875 6.68213      0.770492 5.73243      0.830597 2.56682  0.150087  2.37143  0.175126  
1 1 1 59 20 4  o 2.96603  0.100925  8.85405      0.598692 9.56765      0.839122 8.11415      0.854444 3.07492  0.136446  2.82798  0.151069  
1 1 1 59 20 5  o 3.33681  0.0895559 11.192       0.597662 11.7557      0.832567 10.5927      0.858472 3.41218  0.121999  3.23618  0.132637  
1 1 1 59 20 6  o 2.05311  0.173389  4.29927      0.711975 3.94459      1.02083  4.63522      0.993499 1.94201  0.262827  2.11452  0.234924  
1 1 1 59 20 7  o 3.18497  0.123864  10.251       0.789005 10.606       1.14852  9.9338       1.08576  3.2217   0.178248  3.1195   0.174029  
1 1 1 59 20 8  o 3.12031  0.124364  9.84496      0.776106 11.1635      1.16546  8.79437      1.04033  3.30442  0.176348  2.93253  0.177377  
1 1 1 59 20 9  o 3.05098  0.134651  9.43452      0.821637 10.0258      1.20166  8.91542      1.12597  3.12361  0.192351  2.94608  0.191096  
1 1 1 59 20 10 f 1.51534  0.245512  2.40079      0.744071 1.72063      1.09139  2.9915       1.01709  1.23569  0.393114  1.6441   0.320759  
1 1 1 59 20 11 o 3.3907   0.126511  11.6375      0.857919 12.5105      1.29211  10.9492      1.14731  3.49155  0.185034  3.27067  0.175394  
1 1 1 59 20 12 o 2.79475  0.144344  7.9403       0.806813 8.14026      1.19917  7.77493      1.09056  2.80247  0.21395   2.74555  0.198604  
1 1 1 59 20 13 o 1.50926  0.271977  2.48592      0.791001 1.33643      1.16023  3.48422      1.08123  1.12215  0.403918  1.76989  0.316917  
1 1 1 59 20 14 o 2.73708  0.150006  7.64072      0.821158 7.26349      1.15738  8.02309      1.16525  2.63936  0.219253  2.77881  0.209667  
1 1 1 59 20 15 o 3.50521  0.130856  12.4978      0.917358 12.4248      1.27587  12.5758      1.31993  3.46682  0.184012  3.48445  0.189403  
1 1 1 59 20 16 o 0.783346 0.314317  0.437288     0.750144 1.16425      1.09814  -0.19872     1.02715  1.04869  0.390893  0.742805 0.333119  
1 1 1 59 20 17 o 0.889161 0.334023  0.772901     0.804943 0.696415     1.14566  0.847469     1.1312   0.940141 0.384064  0.970542 0.387346  
1 1 1 59 20 18 o 1.00471  0.335489  1.14842      0.791906 1.74868      1.13221  0.573509     1.10803  1.19625  0.401147  0.90165  0.374176  
1 1 1 59 20 19 f 1.61893  0.24699   2.84804      0.799716 3.51489      1.19446  2.30626      1.07663  1.70164  0.361827  1.358    0.381012  
1 1 1 59 20 20 o 2.07636  0.20139   4.59136      0.836315 3.58109      1.21234  5.50861      1.15518  1.69532  0.367885  2.22939  0.259081  
1 1 1 59 20 21 o 0.83336  0.329033  0.676214     0.808209 1.42417      1.18462  0.0248986    1.10544  1.06251  0.403581  0.770487 0.345557  
1 1 1 59 20 22 o 2.34004  0.184608  5.83869      0.863983 4.17183      1.233    7.44666      1.21101  1.82199  0.350886  2.59477  0.233357  
1 1 1 59 20 23 o 0.533962 0.258788  -1.04138     0.86256  -1.94601     1.21632  -0.126188    1.2234   0.576982 0.285297  0.753796 0.347625  
1 1 1 59 20 24 o 0.95141  0.35923   1.23633      0.93392  0.986377     1.2805   1.52039      1.36508  0.909466 0.390785  1.00937  0.416876  
1 1 1 59 20 25 o 0.652212 0.299707  -0.108962    0.899839 -0.582737    1.25001  0.400618     1.29638  0.683279 0.326626  0.80786  0.367205  
1 1 1 59 20 26 o 0.934061 0.365015  1.42676      0.986967 2.44077      1.32961  0.18238      1.47293  1.10659  0.42546   0.759035 0.359972  
1 1 1 59 20 27 o 0.737076 0.333356  0.495688     1.04991  0.664303     1.52458  0.34359      1.44798  0.798979 0.37483   0.76053  0.359001  
1 1 1 59 20 28 o 0.562249 0.277474  -0.91502     1.13654  -1.54818     1.68039  -0.381156    1.54301  0.608075 0.305982  0.656241 0.323726  
1 1 1 59 21 0  o 2.19815  0.193619  5.00063      0.836015 5.00063      0.836015 5.00063      0.836015 2.21763  0.134416  ?        ?         
1 1 1 59 21 1  o 3.21499  0.100485  10.4047      0.646114 10.7913      0.898452 9.99063      0.929844 3.26469  0.137601  3.13817  0.148151  
1 1 1 59 21 2  o 3.097    0.0990555 9.65364      0.613551 9.96148      0.86465  9.34143      0.870766 3.13648  0.137837  3.03574  0.143419  
1 1 1 59 21 3  o 1.97447  0.135091  3.94612      0.533466 4.59306      0.728776 3.19931      0.78301  2.12229  0.171696  1.75973  0.22248   
1 1 1 59 21 4  o 3.34635  0.0894437 11.2592      0.598619 11.8007      0.819086 10.6383      0.877032 3.41851  0.119802  3.24145  0.135284  
1 1 1 59 21 5  o 2.10901  0.16805   4.53614      0.708836 4.06389      1.01036  4.99388      0.994717 1.97101  0.256305  2.19553  0.226532  
1 1 1 59 21 6  o 5.83382  0.0897472 34.233       1.04714  33.1865      1.47274  35.303       1.48915  5.72652  0.12859   5.90768  0.126035  
1 1 1 59 21 7  o 1.10702  0.304664  1.35355      0.695433 2.55613      1.02804  0.338971     0.944271 1.5061   0.348019  0.836993 0.346263  
1 1 1 59 21 8  o 1.56554  0.228442  2.5472       0.715269 1.92497      1.04543  3.09483      0.980755 1.29984  0.378986  1.6809   0.302781  
1 1 1 59 21 9  o 2.55518  0.151064  6.64223      0.771992 5.98062      1.10788  7.2667       1.07632  2.39728  0.23107   2.65446  0.202739  
1 1 1 59 21 10 o 1.61444  0.224277  2.70726      0.724166 3.68556      1.04012  1.78689      1.00885  1.86474  0.27889   1.25492  0.374105  
1 1 1 59 21 11 f 0.935004 0.330159  0.878399     0.771871 0.546959     1.12834  1.16992      1.05821  0.931278 0.380915  1.06857  0.385641  
1 1 1 59 21 12 o 1.70714  0.229629  3.049        0.78402  3.25462      1.12964  2.85789      1.08902  1.69409  0.345373  1.58056  0.353445  
1 1 1 59 21 13 o 1.14848  0.317432  1.48582      0.752971 1.5023       1.09172  1.47088      1.0399   1.15903  0.393909  1.14648  0.384447  
1 1 1 59 21 14 o 2.08418  0.195994  4.51276      0.816972 3.03573      1.17748  5.88386      1.13447  1.60721  0.373159  2.35805  0.240552  
1 1 1 59 21 15 o 3.32254  0.137906  11.2745      0.916396 10.3676      1.2614   12.2881      1.33357  3.14956  0.200249  3.43331  0.194211  
1 1 1 59 21 16 o 2.47122  0.161803  6.30114      0.7997   6.04961      1.16512  6.52518      1.09961  2.37478  0.245311  2.48193  0.221524  
1 1 1 59 21 17 o 1.45219  0.278447  2.37239      0.779866 2.79729      1.13772  1.9958       1.07109  1.5146   0.376689  1.27452  0.386596  
1 1 1 59 21 18 o 1.19179  0.317884  1.67721      0.771893 0.633847     1.15327  2.5239       1.03891  0.91666  0.381153  1.43751  0.361449  
1 1 1 59 21 19 o 1.48745  0.282545  2.5429       0.810166 3.01375      1.16868  2.10728      1.12412  1.54341  0.380516  1.27521  0.397939  
1 1 1 59 21 20 o 2.3614   0.181062  5.90476      0.85512  5.9254       1.23333  5.88566      1.18666  2.28909  0.269393  2.29153  0.258924  
1 1 1 59 21 21 o 2.8087   0.172011  8.3354       0.966254 10.2722      1.37134  6.42575      1.36169  3.062    0.22393   2.35413  0.289212  
1 1 1 59 21 22 o 0.874785 0.3443    0.858647     0.882356 1.31856      1.24639  0.39659      1.24929  1.00834  0.404924  0.840048 0.372502  
1 1 1 59 21 23 o 0.573763 0.275652  -0.816827    0.918802 -0.660176    1.31743  -0.965176    1.28205  0.703921 0.336213  0.665898 0.321301  
1 1 1 59 21 24 o 0.653234 0.298614  -0.0876514   0.880401 -0.131528    1.23277  -0.0419769   1.25776  0.73329  0.342272  0.749456 0.34823   
1 1 1 59 21 25 o 1.46559  0.34031   3.0901       0.979226 2.36085      1.28928  4.08428      1.50537  1.12032  0.42235   1.45906  0.461438  
1 1 1 59 21 26 o 1.53322  0.353517  3.59223      1.06262  3.63923      1.49003  3.54358      1.51584  1.28291  0.458142  1.24886  0.460482  
1 1 1 59 21 27 o 0.613037 0.293947  -0.347021    1.03216  -0.756789    1.52565  -0.00116986  1.40162  0.663688 0.326903  0.706122 0.339537  
1 1 1 59 22 0  o 1.57474  0.285891  2.77024      0.81159  2.77024      0.81159  2.77024      0.81159  1.62576  0.181666  ?        ?         
1 1 1 59 22 1  o 2.4546   0.123695  6.09135      0.60724  6.08021      0.821391 6.10478      0.90176  2.44114  0.168239  2.44109  0.184704  
1 1 1 59 22 2  o 3.86719  0.0874741 15.0383      0.676558 15.973       0.973457 14.165       0.940964 3.97509  0.122444  3.74228  0.125721  
1 1 1 59 22 3  o 1.4371   0.181259  2.11537      0.520975 1.90572      0.677811 2.41801      0.81439  1.32617  0.264923  1.49064  0.283395  
1 1 1 59 22 4  o 1.6179   0.152727  2.66313      0.494196 2.45428      0.663956 2.92256      0.740011 1.54026  0.215534  1.67953  0.220303  
1 1 1 59 22 5  o 0.945771 0.308809  0.942791     0.670959 0.541315     0.993311 1.27969      0.909923 0.898181 0.361153  1.0886   0.35962   
1 1 1 59 22 6  o 0.951149 0.311743  0.953376     0.683771 -0.186898    1.02221  1.87673      0.91986  0.759683 0.336898  1.28904  0.348468  
1 1 1 59 22 7  o 1.61514  0.219265  2.70402      0.708287 2.78861      1.06181  2.63621      0.950711 1.57323  0.346792  1.54099  0.319231  
1 1 1 59 22 8  o 1.22344  0.294599  1.65513      0.713289 0.0691103    1.03651  3.0819       0.983095 0.810252 0.349924  1.6755   0.304624  
1 1 1 59 22 9  o 1.87807  0.199052  3.63812      0.747667 3.71432      1.06875  3.56509      1.04633  1.86748  0.286146  1.82967  0.285935  
1 1 1 59 22 10 o 1.81352  0.206994  3.40967      0.750776 3.02956      1.0686   3.78019      1.05504  1.63863  0.337612  1.88212  0.28028   
1 1 1 59 22 11 o 1.03105  0.329071  1.16732      0.764298 0.957172     1.12039  1.35023      1.04527  1.01841  0.390832  1.11293  0.38505   
1 1 1 59 22 12 o 3.00445  0.138185  9.18551      0.830337 7.99047      1.14938  10.49        1.20086  2.77237  0.207291  3.18711  0.188394  
1 1 1 59 22 13 o 0.751203 0.310524  0.291173     0.758463 1.20428      1.07506  -0.613708    1.07021  1.06456  0.388254  0.700802 0.323927  
1 1 1 59 22 14 o 2.48493  0.167696  6.37088      0.833424 6.77996      1.19784  5.98702      1.16034  2.52447  0.237245  2.36751  0.245054  
1 1 1 59 22 15 o 0.625622 0.283246  -0.263058    0.759956 -1.23231     1.08063  0.685325     1.06894  0.624377 0.299719  0.921536 0.372947  
1 1 1 59 22 16 o 1.75042  0.22568   3.26108      0.790073 4.12441      1.16149  2.51759      1.07786  1.92276  0.302035  1.43906  0.371914  
1 1 1 59 22 17 o 0.734072 0.308538  0.258708     0.768718 0.367223     1.13998  0.168216     1.04101  0.862614 0.36962   0.799502 0.34805   
1 1 1 59 22 18 o 0.629111 0.28469   -0.21254     0.766832 -1.16348     1.12001  0.626588     1.0521   0.635295 0.305001  0.885099 0.365792  
1 1 1 59 22 19 o 1.78049  0.227375  3.45593      0.809675 3.48607      1.17913  3.42904      1.11377  1.66331  0.364428  1.66752  0.345585  
1 1 1 59 22 20 o 0.669762 0.299834  -0.0623822   0.8289   -0.838203    1.17043  0.718269     1.17406  0.67421  0.320284  0.904592 0.380808  
1 1 1 59 22 21 o 2.76132  0.177656  8.12833      0.98113  6.99928      1.34014  9.43251      1.44033  2.4614   0.272231  2.88891  0.249286  
1 1 1 59 22 22 o 0.531518 0.257283  -0.972684    0.845019 -0.308601    1.19281  -1.64175     1.19728  0.716489 0.335302  0.589549 0.290398  
1 1 1 59 22 23 f 1.81556  0.271884  3.96711      0.987246 3.97481      1.38676  3.9592       1.40578  1.60274  0.425436  1.58909  0.431326  
1 1 1 59 22 24 o 0.613194 0.287163  -0.28707     0.880456 -1.6327      1.19556  1.30752      1.30147  0.573097 0.28325   0.935319 0.397659  
1 1 1 59 22 25 o 0.84866  0.354773  1.09069      1.00746  1.49901      1.40627  0.660162     1.44402  0.910561 0.400386  0.800209 0.372317  
1 1 1 59 22 26 o 0.777558 0.341291  0.753904     1.01805  0.687019     1.53743  0.806133     1.35858  0.801503 0.376085  0.805934 0.369472  
1 1 1 59 22 27 o 0.711529 0.32513   0.690719     1.0425   1.68306      1.47299  -0.305238    1.47566  0.824304 0.380635  0.647476 0.318879  
1 1 1 59 23 0  o 0.680471 0.388653  0.670069     0.818954 0.670069     0.818954 0.670069     0.818954 0.659716 0.342521  ?        ?         
1 1 1 59 23 1  o 1.70762  0.169736  2.97924      0.57969  2.24333      0.773861 3.92016      0.875043 1.43523  0.279571  1.94321  0.225154  
1 1 1 59 23 2  o 3.89431  0.0874193 15.2531      0.680876 15.6401      0.969457 14.8763      0.956483 3.93229  0.123269  3.83455  0.124719  
1 1 1 59 23 3  o 1.49631  0.180958  2.29443      0.541539 1.38064      0.713045 3.53988      0.832449 1.11667  0.309016  1.84626  0.225443  
1 1 1 59 23 4  o 1.30762  0.233674  1.82865      0.589074 2.11109      0.738241 1.33363      0.977338 1.39274  0.274816  1.1108   0.372704  
1 1 1 59 23 5  o 1.84077  0.184492  3.47654      0.679214 2.94927      1.00697  3.91667      0.920013 1.63191  0.319932  1.93774  0.237394  
1 1 1 59 23 6  o 1.31779  0.272826  1.8948       0.694769 1.37971      1.02363  2.33477      0.94605  1.12835  0.381429  1.44178  0.334308  
1 1 1 59 23 7  o 0.513578 0.244807  -0.805202    0.689531 -1.45166     1.0089   -0.238561    0.944564 0.584663 0.282681  0.719367 0.321106  
1 1 1 59 23 8  o 4.38479  0.101152  19.3923      0.887056 19.7254      1.26123  19.0662      1.24785  4.4035   0.143208  4.32882  0.144133  
1 1 1 59 23 9  o 1.39699  0.27824   2.14373      0.74983  1.14663      1.07585  3.08561      1.04563  1.06061  0.388242  1.6585   0.326876  
1 1 1 59 23 10 f 2.29418  0.168371  5.39514      0.772547 5.5797       1.09291  5.21082      1.09219  2.30542  0.23703   2.22406  0.245539  
1 1 1 59 23 11 o 1.91799  0.204166  3.82577      0.783174 4.48603      1.1394   3.23445      1.07828  2.04341  0.278798  1.69045  0.330727  
1 1 1 59 23 12 o 2.5062   0.157136  6.44435      0.787625 6.81859      1.11658  6.07373      1.11118  2.5478   0.219126  2.39783  0.231705  
1 1 1 59 23 13 o 3.17283  0.133686  10.2725      0.848325 10.2683      1.25349  10.276       1.15231  3.13333  0.200025  3.14567  0.183158  
1 1 1 59 23 14 o 2.13737  0.19204   4.77392      0.820922 4.47168      1.17455  5.06256      1.14783  2.01317  0.291716  2.1593   0.265788  
1 1 1 59 23 15 o 2.08685  0.195165  4.56492      0.814557 4.1628       1.14369  4.97889      1.16041  1.93582  0.2954    2.13337  0.271967  
1 1 1 59 23 16 o 2.25667  0.185696  5.3329       0.838109 6.6012       1.22307  4.21015      1.15076  2.46732  0.247855  1.93792  0.296906  
1 1 1 59 23 17 o 2.4811   0.168759  6.42361      0.837418 6.51635      1.21824  6.34053      1.15303  2.43938  0.249702  2.4153   0.238692  
1 1 1 59 23 18 o 1.72151  0.231617  3.2355       0.797458 3.80529      1.17746  2.75267      1.0839   1.76093  0.346678  1.47023  0.368901  
1 1 1 59 23 19 o 1.38588  0.318312  2.34714      0.86421  2.73934      1.20763  1.93547      1.23726  1.419    0.405277  1.18677  0.418111  
1 1 1 59 23 20 o 0.6328   0.288676  -0.231781    0.817177 -0.0312841   1.14921  -0.436846    1.16222  0.764654 0.347078  0.713259 0.332694  
1 1 1 59 23 21 o 1.61174  0.290568  3.16661      0.902431 2.5876       1.28008  3.7387       1.27241  1.29841  0.426541  1.63202  0.393777  
1 1 1 59 23 22 o 0.983343 0.350912  1.33628      0.87402  1.7243       1.27229  0.989521     1.20274  1.05385  0.413862  0.904117 0.383248  
1 1 1 59 23 23 o 0.944707 0.359243  1.25517      0.939512 1.79905      1.31768  0.692759     1.33994  1.04971  0.418333  0.854866 0.381996  
1 1 1 59 23 24 o 0.714259 0.320957  0.367552     0.957741 -0.104567    1.43558  0.74622      1.28568  0.730295 0.349324  0.810343 0.367565  
1 1 1 59 23 25 o 1.30875  0.372781  2.80503      1.02307  1.75439      1.45473  3.83318      1.43908  0.933376 0.408839  1.36396  0.452255  
1 1 1 59 23 26 o 0.736307 0.328739  0.68796      0.990487 0.970523     1.48259  0.460176     1.33114  0.789624 0.370296  0.729167 0.344201  
1 1 1 59 24 0  o 3.30465  0.140102  11.0611      0.922191 11.0611      0.922191 11.0611      0.922191 3.31529  0.0985426 ?        ?         
1 1 1 59 24 1  o 1.14199  0.260879  1.42189      0.583038 1.44103      0.787901 1.39872      0.866817 1.13778  0.328137  1.1238   0.349192  
1 1 1 59 24 2  o 1.59264  0.180782  2.60026      0.57584  2.73383      0.764288 2.42489      0.87577  1.61906  0.236028  1.48148  0.306002  
1 1 1 59 24 3  o 1.7756   0.150207  3.20767      0.533417 3.22973      0.718972 3.18067      0.795561 1.76914  0.203199  1.74882  0.227457  
1 1 1 59 24 4  o 1.60928  0.213473  2.6834       0.687077 1.64988      1.02894  3.51507      0.923012 1.20894  0.381408  1.82924  0.252294  
1 1 1 59 24 5  o 1.88084  0.189021  3.64143      0.711035 3.09813      1.04909  4.10305      0.967025 1.66619  0.326456  1.97767  0.244486  
1 1 1 59 24 6  o 1.33423  0.274765  1.95451      0.70811  3.03167      1.05276  1.06453      0.956926 1.64203  0.332176  1.02135  0.366908  
1 1 1 59 24 7  o 1.33186  0.277054  1.95275      0.713544 1.10936      1.01895  2.7643       0.999538 1.04216  0.378191  1.56564  0.329579  
1 1 1 59 24 8  o 2.3189   0.163596  5.50432      0.758728 5.60135      1.09389  5.41436      1.05327  2.31014  0.236758  2.27356  0.231635  
1 1 1 59 24 9  o 1.91297  0.205926  3.80345      0.787859 3.68998      1.11682  3.91586      1.1116   1.84407  0.302813  1.90504  0.291752  
1 1 1 59 24 10 o 1.69801  0.218656  3.02287      0.742564 2.59374      1.05528  3.44375      1.04509  1.49114  0.357869  1.78022  0.293527  
1 1 1 59 24 11 o 4.73834  0.118516  22.7953      1.12314  22.1125      1.5655   23.5195      1.61225  4.63082  0.16903   4.77608  0.168784  
1 1 1 59 24 12 o 2.70332  0.151119  7.50247      0.817045 5.79786      1.19212  9.01249      1.12202  2.32024  0.256896  2.94031  0.190799  
1 1 1 59 24 13 o 2.11943  0.181424  4.67357      0.769033 3.65799      1.11675  5.58955      1.06058  1.78183  0.325459  2.29025  0.231542  
1 1 1 59 24 14 o 1.00007  0.32943   1.13804      0.763559 1.06334      1.0972   1.20818      1.06327  1.01057  0.387073  1.04439  0.385561  
1 1 1 59 24 15 o 1.45231  0.278606  2.38962      0.780377 3.44774      1.12618  1.41224      1.08236  1.70466  0.342378  1.09319  0.390463  
1 1 1 59 24 16 o 0.872297 0.329926  0.775264     0.788896 1.37149      1.20447  0.327331     1.04399  1.0773   0.407607  0.822724 0.353162  
1 1 1 59 24 17 o 1.91912  0.21523   3.9722       0.826107 4.49223      1.18628  3.48256      1.1511   1.97279  0.300659  1.67586  0.354357  
1 1 1 59 24 18 o 1.01373  0.343687  1.26828      0.831081 1.49864      1.1354   1.00241      1.21978  1.0789   0.3984    0.969283 0.396186  
1 1 1 59 24 19 o 1.03775  0.344646  1.35811      0.835724 0.770897     1.15291  2.00831      1.21317  0.906051 0.379191  1.1987   0.414813  
1 1 1 59 24 20 o 1.01098  0.353357  1.35259      0.882185 1.8343       1.21413  0.813834     1.284    1.11945  0.412178  0.906515 0.390456  
1 1 1 59 24 21 o 0.50658  0.249479  -1.32759     0.878779 -1.09548     1.26264  -1.54567     1.22383  0.646979 0.313419  0.600152 0.29519   
1 1 1 59 24 22 o 0.766865 0.327378  0.521971     0.888506 -0.746857    1.24511  1.83845      1.26828  0.668998 0.32128   1.0688   0.414574  
1 1 1 59 24 23 o 0.991406 0.365626  1.58         0.955696 1.64341      1.40557  1.52547      1.30333  0.959003 0.410656  0.944545 0.399597  
1 1 1 59 24 24 o 1.61088  0.332734  3.7699       1.03545  3.85119      1.54118  3.70302      1.39798  1.31234  0.466211  1.35348  0.44575   
1 1 1 59 24 25 o 0.597449 0.28525   -0.339462    0.946011 0.471491     1.31074  -1.22119     1.36674  0.750368 0.351219  0.611099 0.302229  
1 1 1 59 25 0  o 2.39294  0.185683  5.91054      0.876349 5.91054      0.876349 5.91054      0.876349 2.41244  0.129281  ?        ?         
1 1 1 59 25 1  o 1.81526  0.160654  3.36776      0.583257 3.03767      0.802445 3.73748      0.849243 1.70314  0.235578  1.89316  0.224292  
1 1 1 59 25 2  o 0.462942 0.219882  -0.630809    0.55142  -0.36623     0.726179 -0.991129    0.84744  0.60069  0.273516  0.564565 0.269652  
1 1 1 59 25 3  o 0.67275  0.264778  0.31237      0.521829 0.598341     0.65496  -0.184681    0.863485 0.814274 0.302206  0.69384  0.308436  
1 1 1 59 25 4  o 3.28974  0.115935  10.9499      0.76279  11.716       1.13834  10.3257      1.02763  3.38119  0.168334  3.17719  0.16172   
1 1 1 59 25 5  o 2.56285  0.145006  6.6898       0.743257 5.16789      1.08506  8.03518      1.02019  2.21554  0.244875  2.79392  0.182573  
1 1 1 59 25 6  f 3.87868  0.109719  15.2044      0.851126 15.2338      1.22371  15.1768      1.18459  3.86024  0.158502  3.85557  0.153621  
1 1 1 59 25 7  o 1.54908  0.23971   2.52834      0.742662 2.7308       1.06148  2.3342       1.03943  1.54031  0.352093  1.4162   0.364824  
1 1 1 59 25 8  o 3.04749  0.13244   9.45006      0.807223 8.49115      1.12549  10.4658      1.15839  2.85946  0.196802  3.18316  0.181956  
1 1 1 59 25 9  o 2.22301  0.17402   5.10097      0.773699 3.7591       1.08331  6.49806      1.10538  1.85676  0.29172   2.4847   0.222437  
1 1 1 59 25 10 o 0.895216 0.324467  0.812384     0.749817 0.4728       1.07495  1.13419      1.04643  0.881696 0.367385  1.03335  0.382293  
1 1 1 59 25 11 o 2.07113  0.19848   4.49183      0.822156 4.63027      1.2514   4.38669      1.09054  2.0404   0.306654  2.00799  0.27155   
1 1 1 59 25 12 o 1.36702  0.293487  2.13049      0.779289 2.17806      1.16181  2.09159      1.05071  1.32457  0.402807  1.30983  0.379312  
1 1 1 59 25 13 o 1.12812  0.315133  1.48513      0.738091 0.723226     1.10379  2.10135      0.992664 0.93104  0.378105  1.3152   0.364832  
1 1 1 59 25 14 o 0.831882 0.321609  0.63858      0.761935 0.746181     1.08716  0.534704     1.06817  0.92643  0.375625  0.87744  0.365957  
1 1 1 59 25 15 o 0.952404 0.3322    1.03541      0.779374 1.31524      1.15563  0.801954     1.05556  1.05952  0.399733  0.924823 0.372118  
1 1 1 59 25 16 o 1.03898  0.341999  1.3154       0.822936 1.17868      1.17074  1.44893      1.157    1.01355  0.397246  1.07859  0.401392  
1 1 1 59 25 17 o 1.313    0.314611  2.10301      0.816597 3.56588      1.13692  0.544136     1.17364  1.69178  0.347941  0.87353  0.374692  
1 1 1 59 25 18 o 0.933148 0.338863  1.03156      0.81817  0.634941     1.13585  1.45926      1.17952  0.877414 0.372209  1.06108  0.402807  
1 1 1 59 25 19 o 0.746932 0.321683  0.336067     0.871319 -0.30209     1.25959  0.921647     1.20658  0.743243 0.346552  0.921002 0.386801  
1 1 1 59 25 20 o 2.44186  0.18864   6.5143       0.921262 5.99682      1.27494  7.07974      1.3327   2.22398  0.286635  2.43549  0.273601  
1 1 1 59 25 21 o 0.573146 0.274858  -0.737409    0.903239 -1.33286     1.31241  -0.201551    1.245    0.636011 0.31082   0.728696 0.341293  
1 1 1 59 25 22 o 0.764056 0.327188  0.595386     0.89231  -1.06594     1.30645  2.04804      1.22165  0.639301 0.311956  1.08626  0.410648  
1 1 1 59 25 23 o 0.697914 0.317641  0.287063     0.97694  0.507466     1.49511  0.122842     1.29056  0.785722 0.369101  0.723613 0.340796  
1 1 1 59 25 24 o 1.27292  0.361114  2.57175      0.961917 1.79953      1.36196  3.34034      1.35875  0.955674 0.406569  1.29087  0.439452  
1 1 1 59 25 25 o 0.665909 0.311453  0.340874     1.02731  0.892794     1.49922  -0.147657    1.4105   0.749062 0.357985  0.656777 0.321262  
1 1 1 59 26 0  o 6.70909  0.12508   45.3695      1.67703  45.3695      1.67703  45.3695      1.67703  6.72237  0.0882351 ?        ?         
1 1 1 59 26 1  o 2.52607  0.124694  6.46879      0.629975 7.32941      0.879467 5.56183      0.902831 2.67542  0.16436   2.31972  0.194599  
1 1 1 59 26 2  o 2.13294  0.139161  4.62773      0.593644 4.76638      0.790223 4.4481       0.899414 2.15108  0.18368   2.06585  0.217686  
1 1 1 59 26 3  o 1.00385  0.313983  1.1085       0.699291 0.023056     1.03513  2.01976      0.948443 0.794222 0.346401  1.32405  0.352006  
1 1 1 59 26 4  o 0.628215 0.280846  -0.206148    0.72501  1.3513       1.07501  -1.50557     0.981934 1.1111   0.389904  0.565148 0.274593  
1 1 1 59 26 5  o 1.9268   0.191043  3.8448       0.736203 4.21905      1.09066  3.53156      0.997821 1.98242  0.275083  1.81373  0.275074  
1 1 1 59 26 6  f 2.07701  0.181936  4.4602       0.755766 5.27313      1.0827   3.68767      1.05545  2.23045  0.242708  1.84507  0.28602   
1 1 1 59 26 7  o 0.731202 0.30321   0.262694     0.726724 -0.617124    1.04008  1.10197      1.01583  0.68737  0.318336  1.02571  0.377082  
1 1 1 59 26 8  o 1.98513  0.191709  4.10412      0.761134 5.01184      1.12702  3.34293      1.03205  2.15678  0.261274  1.71682  0.312093  
1 1 1 59 26 9  o 3.33068  0.127567  11.3061      0.849769 11.951       1.24744  10.7476      1.16075  3.39017  0.183979  3.21733  0.180391  
1 1 1 59 26 10 o 0.666054 0.295324  -0.104547    0.785023 -0.333412    1.15266  0.0934413    1.07209  0.759944 0.345646  0.803257 0.351416  
1 1 1 59 26 11 o 1.51155  0.286119  2.57874      0.833517 3.72542      1.30449  1.78757      1.08356  1.75142  0.382949  1.21131  0.392346  
1 1 1 59 26 12 o 1.30858  0.303166  1.98187      0.778521 3.48315      1.15613  0.736323     1.05306  1.71195  0.349754  0.922381 0.371453  
1 1 1 59 26 13 o 2.01157  0.197654  4.27252      0.795191 4.04643      1.1336   4.49154      1.11575  1.89407  0.29925   2.0117   0.277316  
1 1 1 59 26 14 o 1.29484  0.321978  2.01254      0.831338 2.97532      1.17915  1.06098      1.17226  1.52997  0.385299  0.998822 0.395665  
1 1 1 59 26 15 o 0.831197 0.327332  0.657054     0.797952 0.508888     1.12846  0.805228     1.12849  0.865583 0.369215  0.925136 0.380094  
1 1 1 59 26 16 o 1.18822  0.330828  1.7607       0.814761 1.1852       1.14274  2.35575      1.16199  1.00189  0.392511  1.31604  0.403366  
1 1 1 59 26 17 o 1.52753  0.289055  2.76234      0.850957 3.09921      1.15928  2.36878      1.25305  1.53359  0.379529  1.29324  0.422013  
1 1 1 59 26 18 o 1.99725  0.21713   4.41182      0.867329 5.02836      1.17559  3.67533      1.28486  2.06197  0.285065  1.62511  0.397952  
1 1 1 59 26 19 o 0.959118 0.347162  1.22324      0.858126 2.72048      1.20513  -0.316721    1.2222   1.34012  0.410794  0.719825 0.33732   
1 1 1 59 26 20 o 0.705882 0.313475  0.197882     0.889142 -0.247068    1.30703  0.581174     1.21309  0.737325 0.346114  0.832148 0.368277  
1 1 1 59 26 21 o 1.46164  0.338258  2.94664      0.970015 1.65319      1.43393  4.03794      1.31712  0.998884 0.420691  1.61565  0.407422  
1 1 1 59 26 22 o 0.628306 0.290846  -0.0428225   0.866906 -0.304052    1.22445  0.219725     1.22754  0.673514 0.322272  0.731532 0.341487  
1 1 1 59 26 23 o 0.745009 0.329445  0.603041     0.968104 -0.368392    1.37396  1.56087      1.3643   0.682645 0.330025  0.911551 0.397629  
1 1 1 59 26 24 f 0.745354 0.327627  0.74962      0.940929 -0.554735    1.33927  2.021        1.32224  0.639238 0.312767  0.946271 0.401513  
1 1 1 59 27 0  o 1.06585  0.412353  1.64035      0.831183 1.64035      0.831183 1.64035      0.831183 1.1695   0.290687  ?        ?         
1 1 1 59 27 1  o 1.27774  0.245831  1.7815       0.605799 0.910364     0.787355 3.04546      0.948406 0.938592 0.333249  1.65274  0.297787  
1 1 1 59 27 2  o 2.3409   0.140777  5.59198      0.659091 6.09037      0.817447 4.66604      1.1142   2.43285  0.168002  2.08501  0.267194  
1 1 1 59 27 3  o 2.27532  0.161686  5.31926      0.735774 5.46814      1.09082  5.19497      0.996633 2.27084  0.240179  2.22149  0.224317  
1 1 1 59 27 4  o 0.636277 0.286089  -0.230277    0.762106 -0.0629437   1.0857   -0.392818    1.07004  0.787732 0.348539  0.730062 0.332314  
1 1 1 59 27 5  f 1.67107  0.219606  2.94209      0.733955 1.49618      1.01194  4.54693      1.06611  1.13565  0.379245  2.05672  0.259178  
1 1 1 59 27 6  o 1.30358  0.29129   1.92467      0.740133 1.85227      1.03741  1.99972      1.05626  1.24251  0.381191  1.28832  0.382537  
1 1 1 59 27 7  o 0.881185 0.31839   0.791795     0.7215   1.47276      1.07213  0.228136     0.975424 1.12547  0.38991   0.801037 0.342525  
1 1 1 59 27 8  o 2.19847  0.178068  5.02075      0.782956 4.85622      1.14871  5.16352      1.07001  2.11052  0.272137  2.19426  0.24382   
1 1 1 59 27 9  o 3.12241  0.137245  9.97854      0.85707  9.09359      1.28112  10.6955      1.15312  2.92935  0.21867   3.20629  0.179822  
1 1 1 59 27 10 o 1.60858  0.242807  2.78487      0.781147 3.28182      1.1716   2.38716      1.04811  1.65137  0.364503  1.39982  0.369077  
1 1 1 59 27 11 o 1.06124  0.334133  1.32393      0.790187 1.69418      1.16679  1.01024      1.07396  1.17277  0.406713  0.987832 0.38184   
1 1 1 59 27 12 o 0.752694 0.312209  0.346939     0.770841 0.945122     1.09628  -0.238003    1.08408  0.968576 0.382962  0.740513 0.33638   
1 1 1 59 27 13 o 2.09551  0.198672  4.66673      0.832636 4.84038      1.14809  4.47406      1.20935  2.07683  0.276404  1.97209  0.306616  
1 1 1 59 27 14 o 0.968914 0.336965  1.11571      0.801388 2.68589      1.1229   -0.514217    1.14406  1.43505  0.383698  0.708704 0.330381  
1 1 1 59 27 15 o 2.11379  0.197272  4.79246      0.833982 4.14974      1.14192  5.52715      1.22089  1.88272  0.303264  2.19896  0.277606  
1 1 1 59 27 16 o 1.75547  0.243033  3.43584      0.853275 3.26652      1.18147  3.62044      1.23364  1.57659  0.378843  1.66364  0.379087  
1 1 1 59 27 17 o 1.40929  0.312069  2.47701      0.856247 2.06417      1.1879   2.92347      1.23532  1.18951  0.410583  1.42327  0.411006  
1 1 1 59 27 18 o 0.903328 0.344801  1.03012      0.868176 1.78193      1.22465  0.270553     1.23095  1.08647  0.411027  0.799516 0.361309  
1 1 1 59 27 19 o 0.866233 0.340131  0.935087     0.859225 2.06151      1.27129  -0.0121603   1.16581  1.12932  0.420655  0.73763  0.339856  
1 1 1 59 27 20 o 1.60877  0.301432  3.31573      0.934024 2.73794      1.40679  3.77121      1.24905  1.24123  0.444971  1.58981  0.394261  
1 1 1 59 27 21 o 0.80987  0.335447  0.882177     0.887882 1.69501      1.26539  0.0938946    1.24614  0.969172 0.400886  0.72327  0.339234  
1 1 1 59 27 22 o 0.543602 0.263787  -0.742012    0.901107 0.189416     1.27399  -1.67452     1.27473  0.72029  0.339047  0.566504 0.282143  
1 1 1 59 27 23 o 1.75774  0.285587  4.15993      1.00397  4.1644       1.43942  4.1557       1.40103  1.41611  0.45156   1.43979  0.443248  
1 1 1 59 28 0  o 0.392402 0.278705  -0.850138    0.851677 -0.850138    0.851677 -0.850138    0.851677 0.304325 0.219692  ?        ?         
1 1 1 59 28 1  f 1.15676  0.269533  1.49975      0.612588 1.96089      0.78242  0.769338     0.984716 1.30982  0.304232  0.927372 0.364128  
1 1 1 59 28 2  o 1.86205  0.159208  3.56879      0.592904 3.98148      0.732628 2.78549      1.00934  1.95604  0.187273  1.54779  0.335504  
1 1 1 59 28 3  o 3.33416  0.123973  11.3166      0.826691 13.352       1.25995  9.77802      1.09547  3.58991  0.175485  3.07031  0.178397  
1 1 1 59 28 4  o 3.18386  0.130434  10.3425      0.830567 10.378       1.18152  10.3079      1.1678   3.15643  0.18716   3.14683  0.185552  
1 1 1 59 28 5  o 2.05006  0.18202   4.37231      0.746306 3.21781      1.06739  5.4765       1.04387  1.66568  0.332174  2.26859  0.230071  
1 1 1 59 28 6  o 3.01395  0.131715  9.27824      0.793965 8.18543      1.16882  10.2145      1.08189  2.78657  0.209723  3.13916  0.172321  
1 1 1 59 28 7  o 1.06656  0.318726  1.31584      0.731674 1.33547      1.08606  1.29953      0.990072 1.08269  0.390689  1.06527  0.374149  
1 1 1 59 28 8  o 1.00447  0.326793  1.15366      0.751383 0.731066     1.12506  1.49393      1.00954  0.937408 0.381381  1.12114  0.378793  
1 1 1 59 28 9  o 3.98274  0.116588  16.1521      0.928681 16.5172      1.42089  15.8798      1.22704  3.97938  0.178532  3.92063  0.156484  
1 1 1 59 28 10 o 0.54859  0.259333  -0.712628    0.758983 0.704688     1.09311  -2.03195     1.05465  0.916695 0.374931  0.537798 0.265859  
1 1 1 59 28 11 o 1.0479   0.341609  1.31369      0.821062 0.569719     1.15544  2.07259      1.16696  0.895012 0.377322  1.26397  0.406943  
1 1 1 59 28 12 o 1.2818   0.321202  1.98598      0.822528 1.79589      1.13054  2.19976      1.19893  1.17606  0.400853  1.2842   0.41238   
1 1 1 59 28 13 o 0.612958 0.281956  -0.340369    0.798645 -0.646515    1.10348  -0.00360327  1.15735  0.677333 0.317965  0.78054  0.351664  
1 1 1 59 28 14 o 1.43867  0.296617  2.46706      0.824308 1.72011      1.11606  3.3636       1.22272  1.13666  0.39743   1.60035  0.385933  
1 1 1 59 28 15 o 2.88619  0.153176  8.71247      0.88419  8.3295       1.21546  9.14294      1.28861  2.75768  0.220377  2.88589  0.223261  
1 1 1 59 28 16 o 0.793601 0.328864  0.558792     0.854008 1.0799       1.22368  0.0639664    1.19242  0.954692 0.394519  0.776379 0.352703  
1 1 1 59 28 17 o 0.599549 0.280712  -0.402824    0.839681 -0.386006    1.21557  -0.418172    1.16127  0.710869 0.333711  0.693661 0.32573   
1 1 1 59 28 18 o 1.07833  0.351157  1.63482      0.867602 3.14487      1.30417  0.435962     1.16204  1.40655  0.426579  0.802276 0.35719   
1 1 1 59 28 19 o 1.1432   0.346563  1.85166      0.860916 1.40942      1.25291  2.24724      1.18497  0.972756 0.40022   1.17753  0.409725  
1 1 1 59 28 20 o 0.544938 0.262272  -0.640007    0.84105  -0.0722702   1.18856  -1.2094      1.19029  0.697383 0.328036  0.590665 0.290715  
1 1 1 59 28 21 o 2.01701  0.233442  4.96365      0.94171  3.86873      1.3102   6.13378      1.35446  1.45096  0.424667  2.07028  0.327119  
1 1 1 59 28 22 o 0.697616 0.313274  0.399454     0.9111   0.667003     1.28893  0.132273     1.28805  0.776185 0.357518  0.713929 0.337655  
1 1 1 59 28 23 o 0.718562 0.323892  0.752341     0.982915 -1.22803     1.4654   2.37199      1.32524  0.590391 0.295195  0.948973 0.402279  
1 1 1 59 29 0  o 0.388222 0.277118  -0.952454    0.872413 -0.952454    0.872413 -0.952454    0.872413 0.299466 0.216822  ?        ?         
1 1 1 59 29 1  o 1.09383  0.280901  1.36015      0.617649 1.49665      0.783896 1.13667      1.00304  1.13211  0.327562  1.02233  0.374811  
1 1 1 59 29 2  o 3.15549  0.115907  10.1228      0.731487 10.2159      0.969307 9.9997       1.11485  3.15043  0.153837  3.10082  0.179768  
1 1 1 59 29 3  o 3.50817  0.11748   12.5189      0.824277 12.7567      1.23298  12.3267      1.10836  3.50469  0.175904  3.45598  0.160354  
1 1 1 59 29 4  o 3.47158  0.124264  12.2857      0.862788 12.4044      1.2578   12.1802      1.18572  3.45052  0.182263  3.42598  0.173048  
1 1 1 59 29 5  o 1.02695  0.322478  1.21549      0.736674 0.0458419    1.10839  2.141        0.985952 0.802573 0.354011  1.33058  0.361251  
1 1 1 59 29 6  o 3.92681  0.116372  15.6944      0.913942 14.9665      1.28003  16.4514      1.30536  3.79812  0.168509  3.9861   0.163739  
1 1 1 59 29 7  o 4.299    0.111765  18.7953      0.960956 18.8042      1.45666  18.7884      1.27867  4.25208  0.171288  4.26971  0.149737  
1 1 1 59 29 8  o 0.88602  0.32696   0.818937     0.764461 0.0426667    1.14585  1.44159      1.02623  0.804948 0.356867  1.09546  0.381284  
1 1 1 59 29 9  o 1.61421  0.241037  2.83497      0.778169 0.905038     1.12462  4.60777      1.07786  0.961052 0.385174  2.04185  0.263943  
1 1 1 59 29 10 o 0.946219 0.33806   1.01783      0.811381 1.39241      1.10166  0.573757     1.1995   1.07034  0.392767  0.899309 0.382039  
1 1 1 59 29 11 f 0.661838 0.300482  -0.204687    0.862496 -1.42011     1.1291   1.49818      1.33647  0.607546 0.294961  1.09298  0.425238  
1 1 1 59 29 12 o 0.631837 0.289476  -0.300469    0.832495 0.42281      1.18945  -0.995002    1.16557  0.855969 0.372325  0.657778 0.314667  
1 1 1 59 29 13 o 1.4244   0.297351  2.42599      0.819445 2.35956      1.19618  2.48474      1.12485  1.30573  0.411103  1.35895  0.392121  
1 1 1 59 29 14 o 2.13406  0.203962  4.93587      0.870535 3.70959      1.20354  6.28135      1.26069  1.69261  0.3659    2.3407   0.269297  
1 1 1 59 29 15 o 0.794438 0.327503  0.580023     0.840624 0.911464     1.20088  0.261571     1.17712  0.916711 0.385484  0.80051  0.357863  
1 1 1 59 29 16 o 0.657219 0.299807  -0.113058    0.881282 0.195112     1.32854  -0.35522     1.17769  0.805678 0.367685  0.704515 0.33032   
1 1 1 59 29 17 o 0.484022 0.238387  -1.3214      0.82105  -2.58136     1.19118  -0.181       1.13326  0.520033 0.261308  0.708464 0.329708  
1 1 1 59 29 18 o 0.66394  0.297391  0.0985393    0.816439 -0.511428    1.15217  0.713721     1.15708  0.667599 0.317443  0.838726 0.366022  
1 1 1 59 29 19 o 0.734361 0.317443  0.538914     0.854518 -0.505062    1.22633  1.52423      1.19137  0.660814 0.317713  0.948915 0.390316  
1 1 1 59 29 20 o 0.770327 0.327072  0.767623     0.878335 0.409057     1.24415  1.12389      1.24016  0.746408 0.346631  0.847017 0.373929  
1 1 1 59 29 21 o 0.544815 0.265272  -0.818547    0.926062 -1.99025     1.2858   0.44433      1.33488  0.551368 0.275684  0.75834  0.354818  
1 1 1 59 29 22 o 0.778626 0.332844  1.02809      0.920588 1.62341      1.29264  0.415393     1.31138  0.847777 0.377108  0.699893 0.334563  
1 1 1 59 30 0  o 0.868265 0.436611  1.25492      0.924136 1.25492      0.924136 1.25492      0.924136 0.925886 0.367404  ?        ?         
1 1 1 59 30 1  o 1.94656  0.16254   3.92112      0.632787 4.00336      0.823692 3.80269      0.988466 1.94389  0.211867  1.86525  0.264969  
1 1 1 59 30 2  o 3.07737  0.132349  9.69055      0.814572 9.13488      1.27578  10.073       1.05839  2.9312   0.21762   3.11437  0.169921  
1 1 1 59 30 3  o 1.02065  0.325878  1.20654      0.749484 2.0626       1.18894  0.642042     0.965473 1.2772   0.410713  0.88074  0.355262  
1 1 1 59 30 4  o 0.551021 0.260366  -0.72083     0.764279 -0.467846    1.18116  -0.903038    1.00241  0.742879 0.342203  0.626181 0.296964  
1 1 1 59 30 5  o 2.39968  0.166588  5.98511      0.799513 4.68204      1.2319   6.93342      1.05091  2.0357   0.302573  2.55772  0.205439  
1 1 1 59 30 6  o 2.98632  0.142045  9.18345      0.848385 6.63566      1.29234  11.113       1.12466  2.45411  0.263301  3.26324  0.172323  
1 1 1 59 30 7  o 2.0781   0.197701  4.57723      0.821684 3.52069      1.24359  5.39588      1.09467  1.67781  0.379445  2.22193  0.246334  
1 1 1 59 30 8  o 2.20912  0.190925  5.16482      0.843551 4.66362      1.18449  5.68064      1.20162  2.02444  0.292546  2.25808  0.266072  
1 1 1 59 30 9  o 0.955624 0.34302   1.05875      0.836232 1.97292      1.2139   0.233117     1.15362  1.21396  0.415368  0.823337 0.362333  
1 1 1 59 30 10 o 0.705401 0.311302  0.0596871    0.85852  -0.347752    1.1413   0.590718     1.30295  0.727152 0.335498  0.906916 0.392009  
1 1 1 59 30 11 o 2.24632  0.203896  5.43912      0.916031 5.28593      1.33002  5.57737      1.26347  2.11239  0.314815  2.19863  0.287331  
1 1 1 59 30 12 o 1.76764  0.241846  3.47785      0.854994 1.77135      1.24445  5.00354      1.17668  1.13813  0.417464  2.082    0.282583  
1 1 1 59 30 13 o 0.694441 0.303802  0.145783     0.801204 0.396772     1.18497  -0.0655945   1.08745  0.834719 0.367283  0.739295 0.336113  
1 1 1 59 30 14 o 1.0143   0.344454  1.35801      0.834794 0.942518     1.12694  1.86324      1.24268  0.911713 0.377791  1.12035  0.416177  
1 1 1 59 30 15 o 1.36817  0.317685  2.4214       0.853361 1.81078      1.21934  3.00759      1.1947   1.08861  0.410635  1.4248   0.401881  
1 1 1 59 30 16 o 0.709579 0.309124  0.29881      0.822336 0.562567     1.17168  0.0427607    1.15443  0.823942 0.363637  0.74258  0.340493  
1 1 1 59 30 17 o 1.18581  0.331056  1.92911      0.814795 0.372185     1.14335  3.53572      1.16145  0.780265 0.350646  1.56834  0.374836  
1 1 1 59 30 18 o 0.592447 0.277397  -0.226175    0.820241 -1.23947     1.17346  0.741916     1.14699  0.585168 0.288217  0.805551 0.357101  
1 1 1 59 30 19 o 0.510364 0.249505  -0.928771    0.847657 -2.60823     1.18656  0.821644     1.21136  0.495248 0.250167  0.800813 0.360344  
1 1 1 59 30 20 o 0.925858 0.350662  1.38406      0.892185 -0.0970468   1.25663  2.88949      1.26691  0.692869 0.33032   1.21772  0.42366   
1 1 1 59 30 21 o 0.545664 0.265265  -0.612945    0.918438 0.351842     1.29187  -1.59891     1.30598  0.703751 0.335347  0.556833 0.278416  
1 1 1 59 31 0  f 0.49167  0.331897  -0.200078    0.915635 -0.200078    0.915635 -0.200078    0.915635 0.4088   0.277045  ?        ?         
1 1 1 59 31 1  o 1.32959  0.2827    2.03412      0.729194 2.5553       1.09974  1.62521      0.974122 1.42697  0.378896  1.14851  0.372005  
1 1 1 59 31 2  f 2.14656  0.178551  4.8279       0.76654  3.48887      1.1368   5.94434      1.03802  1.70318  0.345769  2.35425  0.220458  
1 1 1 59 31 3  o 0.667623 0.290403  0.061215     0.723622 0.452821     1.11725  -0.22177     0.949745 0.864994 0.368121  0.696832 0.316005  
1 1 1 59 31 4  f 0.539935 0.255619  -0.695884    0.739848 -0.241742    1.13378  -1.03269     0.976383 0.751771 0.342162  0.596807 0.2861    
1 1 1 59 31 5  o 1.97491  0.204742  4.16028      0.808691 3.77792      1.28738  4.4095       1.03934  1.73061  0.382172  1.99433  0.260575  
1 1 1 59 31 6  o 1.70347  0.248479  3.19716      0.846554 3.68497      1.26034  2.79617      1.1427   1.70529  0.379457  1.47387  0.383888  
1 1 1 59 31 7  o 1.01766  0.33747   1.25738      0.801285 1.33039      1.15576  1.18981      1.11189  1.04595  0.398241  1.00857  0.388799  
1 1 1 59 31 8  o 2.84844  0.165767  8.51931      0.944356 7.81012      1.26629  9.40799      1.41751  2.6608   0.237952  2.91426  0.243202  
1 1 1 59 31 9  o 0.71524  0.312709  0.136462     0.847792 1.49828      1.19539  -1.24173     1.20256  1.07872  0.406677  0.64374  0.31075   
1 1 1 59 31 10 o 3.76849  0.128825  14.6529      0.970954 14.0012      1.35293  15.3451      1.39428  3.62321  0.186703  3.79701  0.183602  
1 1 1 59 31 11 o 0.797164 0.328597  0.533103     0.846174 0.453568     1.2127   0.608567     1.18126  0.855621 0.374043  0.876752 0.375984  
1 1 1 59 31 12 o 0.748401 0.318648  0.373877     0.837808 -0.68258     1.23924  1.26325      1.13703  0.69667  0.330295  0.990801 0.390562  
1 1 1 59 31 13 o 1.54766  0.289182  2.92918      0.861888 2.94475      1.2349   2.91438      1.2035   1.40743  0.412397  1.40914  0.405271  
1 1 1 59 31 14 o 1.11744  0.342855  1.71755      0.839206 0.7948       1.15394  2.75351      1.22268  0.866724 0.371645  1.33289  0.414833  
1 1 1 59 31 15 f 2.01705  0.21182   4.57429      0.854503 3.92683      1.18625  5.2726       1.23195  1.68719  0.361989  2.05627  0.299559  
1 1 1 59 31 16 o 0.908843 0.339439  1.12102      0.828881 1.258        1.17231  0.984076     1.17212  0.939944 0.386996  0.885778 0.377012  
1 1 1 59 31 17 o 0.763923 0.319799  0.692352     0.82039  -0.536663    1.17546  1.85957      1.14553  0.646581 0.310915  1.02775  0.394968  
1 1 1 59 31 18 o 2.22844  0.20623   5.80066      0.919143 6.61576      1.30112  4.9887       1.29861  2.2245   0.292452  1.79028  0.374773  
1 1 1 59 31 19 o 0.683697 0.306664  0.323547     0.870808 0.7341       1.27202  -0.0385759   1.19464  0.793498 0.361493  0.689262 0.325608  
1 1 1 59 31 20 o 0.572807 0.273772  -0.301154    0.877271 -0.495434    1.24711  -0.110851    1.23428  0.626005 0.305346  0.658147 0.316994  
1 1 1 59 32 0  o 2.0706   0.332896  4.94304      1.27123  4.94304      1.27123  4.94304      1.27123  2.15381  0.213488  ?        ?         
1 1 1 59 32 1  o 2.47852  0.165279  6.42234      0.819291 5.61347      1.1457   7.26885      1.17205  2.2501   0.254589  2.58703  0.226525  
1 1 1 59 32 2  o 2.46112  0.162039  6.32483      0.797596 5.16666      1.16213  7.35619      1.09666  2.1434   0.271094  2.61656  0.209561  
1 1 1 59 32 3  o 3.70329  0.124894  14.0814      0.92504  14.6905      1.38794  13.5947      1.2408   3.72278  0.186411  3.59586  0.172532  
1 1 1 59 32 4  o 1.06378  0.347833  1.40413      0.851253 1.63278      1.19721  1.17034      1.21061  1.11982  0.409589  1.01046  0.401514  
1 1 1 59 32 5  o 1.0877   0.337083  1.47329      0.808459 2.23223      1.14649  0.722641     1.14021  1.28514  0.402048  0.903765 0.377591  
1 1 1 59 32 6  o 1.41153  0.302552  2.38807      0.829427 1.7029       1.16166  3.10062      1.18465  1.1325   0.404513  1.53661  0.385731  
1 1 1 59 32 7  o 1.01049  0.34067   1.26145      0.816553 1.63427      1.14325  0.873182     1.16667  1.11283  0.400913  0.935171 0.385722  
1 1 1 59 32 8  o 1.58967  0.258775  2.85181      0.822732 1.82111      1.13564  3.99033      1.19356  1.1595   0.401331  1.7888   0.345969  
1 1 1 59 32 9  o 0.936972 0.339932  1.04831      0.823172 0.919938     1.18068  1.16974      1.14828  0.938507 0.387659  0.989001 0.391653  
1 1 1 59 32 10 o 2.30259  0.188799  5.71079      0.869454 5.6265       1.22668  5.79588      1.23253  2.19361  0.279602  2.23014  0.276335  
1 1 1 59 32 11 o 0.94851  0.344249  1.15071      0.844282 -0.144393    1.16252  2.59623      1.22817  0.73623  0.339274  1.31796  0.416793  
1 1 1 59 32 12 o 3.06546  0.152468  9.95474      0.934767 10.4392      1.35178  9.51075      1.29403  3.04603  0.221892  2.90635  0.222621  
1 1 1 59 32 13 o 0.81022  0.329267  0.721781     0.837655 0.393907     1.19401  1.03954      1.17545  0.802095 0.359448  0.911869 0.382317  
1 1 1 59 32 14 o 1.43973  0.30283   2.65345      0.844448 2.97871      1.16257  2.29018      1.22862  1.4079   0.396223  1.1882   0.416843  
1 1 1 59 32 15 o 1.3088   0.315475  2.2971       0.817319 0.8232       1.13197  3.90236      1.18134  0.845629 0.365449  1.65118  0.367335  
1 1 1 59 32 16 o 1.09766  0.340582  1.81995      0.824997 1.45087      1.1707   2.18405      1.16278  0.931362 0.385441  1.10157  0.403584  
1 1 1 59 32 17 o 0.968717 0.344734  1.50504      0.842996 1.62638      1.22471  1.3958       1.1621   0.936122 0.391236  0.897077 0.378311  
1 1 1 59 32 18 o 1.41331  0.323721  2.86595      0.895822 2.59259      1.29489  3.11689      1.24062  1.13361  0.424086  1.29226  0.419914  
1 1 1 59 32 19 o 0.616462 0.288193  0.0239038    0.878326 -0.748276    1.25402  0.767506     1.23059  0.609242 0.299386  0.75763  0.349109  
1 1 1 59 33 0  o 0.454383 0.324195  -1.12021     1.19017  -1.12021     1.19017  -1.12021     1.19017  0.357759 0.258459  ?        ?         
1 1 1 59 33 1  o 1.26818  0.331835  2.00365      0.851337 0.638109     1.13092  3.78947      1.2933   0.883505 0.372924  1.70297  0.388211  
1 1 1 59 33 2  o 2.83415  0.165107  8.44019      0.935876 8.81038      1.25244  7.97213      1.40829  2.84314  0.220256  2.65575  0.265139  
1 1 1 59 33 3  o 1.05391  0.356085  1.40162      0.892123 1.89738      1.21363  0.818809     1.31587  1.17809  0.414196  0.945101 0.400757  
1 1 1 59 33 4  f 2.34984  0.192626  5.90989      0.90528  4.55985      1.1838   7.8114       1.40493  1.97493  0.299707  2.62345  0.267763  
1 1 1 59 33 5  o 1.52259  0.286131  2.73232      0.839265 4.3368       1.19013  1.14514      1.1837   1.91311  0.311046  0.991619 0.396083  
1 1 1 59 33 6  o 0.721277 0.31376   0.185846     0.844804 0.264387     1.14507  0.0920299    1.25148  0.813471 0.359189  0.810229 0.365327  
1 1 1 59 33 7  o 0.634878 0.28923   -0.208122    0.814276 -1.23241     1.12242  0.92992      1.1831   0.613422 0.296858  0.936828 0.387577  
1 1 1 59 33 8  o 0.771019 0.31976   0.491579     0.808383 0.320835     1.17041  0.647334     1.11786  0.81473  0.361004  0.862224 0.36762   
1 1 1 59 33 9  o 0.557608 0.266609  -0.740675    0.833973 -1.77464     1.20349  0.214515     1.15673  0.585533 0.288379  0.786796 0.353162  
1 1 1 59 33 10 o 0.754528 0.318241  0.463352     0.822545 0.935325     1.19808  0.042522     1.1313   0.907094 0.383406  0.748365 0.340927  
1 1 1 59 33 11 o 1.08432  0.342413  1.61721      0.829154 1.44837      1.14681  1.80214      1.20021  1.00168  0.393049  1.08265  0.407642  
1 1 1 59 33 12 o 1.29853  0.330147  2.26105      0.859582 1.25909      1.23617  3.19908      1.19609  0.955016 0.395702  1.46604  0.397827  
1 1 1 59 33 13 o 1.35614  0.316381  2.42355      0.843227 2.93638      1.21781  1.95124      1.16871  1.36625  0.411786  1.1071   0.404708  
1 1 1 59 33 14 o 0.644823 0.292255  0.064268     0.811222 -0.749629    1.12171  0.956734     1.1746   0.622946 0.300567  0.860887 0.372158  
1 1 1 59 33 15 o 1.39762  0.305369  2.67231      0.830037 2.64085      1.17224  2.70395      1.17546  1.214    0.408178  1.23032  0.408739  
1 1 1 59 33 16 o 0.594954 0.278893  -0.168627    0.837936 0.799626     1.20777  -1.06721     1.16351  0.792871 0.35812   0.583626 0.287307  
1 1 1 59 33 17 o 0.516673 0.251877  -0.855016    0.844284 -0.976325    1.20465  -0.737906    1.18362  0.602752 0.295316  0.617833 0.300595  
1 1 1 59 33 18 o 0.949405 0.352018  1.60813      0.888236 1.58347      1.24857  1.63341      1.26388  0.875462 0.381146  0.882132 0.383753  
1 1 1 59 34 0  o 0.471436 0.340088  -1.60587     1.42997  -1.60587     1.42997  -1.60587     1.42997  0.369553 0.269065  ?        ?         
1 1 1 59 34 1  o 1.17646  0.375876  1.83737      0.996987 2.32632      1.37798  1.30026      1.44425  1.26056  0.441528  1.03753  0.428668  
1 1 1 59 34 2  o 0.498904 0.245723  -1.50513     0.869209 -1.38612     1.10458  -1.69868     1.40863  0.59569  0.289985  0.660725 0.322692  
1 1 1 59 34 3  o 1.26474  0.337327  2.03754      0.869227 2.4061       1.15911  1.56393      1.31394  1.3138   0.402905  1.07876  0.421242  
1 1 1 59 34 4  o 1.58219  0.284526  2.97483      0.867575 3.33346      1.16155  2.52229      1.30478  1.58903  0.371727  1.30851  0.430635  
1 1 1 59 34 5  o 0.727306 0.317798  0.217178     0.87456  0.394424     1.13665  -0.040008    1.36919  0.820547 0.360389  0.804311 0.369641  
1 1 1 59 34 6  o 1.04564  0.351713  1.45135      0.870349 1.22442      1.1701   1.73241      1.30218  0.979504 0.392754  1.09137  0.420748  
1 1 1 59 34 7  o 2.61429  0.175147  7.33809      0.91577  6.2605       1.27607  8.48242      1.31499  2.29889  0.277541  2.72881  0.240947  
1 1 1 59 34 8  o 2.00678  0.224731  4.54172      0.901973 3.41054      1.25311  5.75786      1.29931  1.52878  0.403781  2.16669  0.299838  
1 1 1 59 34 9  o 0.640921 0.292056  -0.0999438   0.831401 -0.48089     1.17768  0.278547     1.17388  0.686393 0.323935  0.784097 0.353667  
1 1 1 59 34 10 o 0.807203 0.325899  0.724626     0.813526 0.776391     1.14548  0.671942     1.15559  0.857962 0.36916   0.840717 0.366348  
1 1 1 59 34 11 o 1.27745  0.333028  2.21348      0.859485 0.906396     1.17419  3.72217      1.26149  0.879735 0.375979  1.58372  0.398339  
1 1 1 59 34 12 o 0.777612 0.325677  0.627312     0.851436 1.22208      1.27411  0.147382     1.14451  0.930351 0.394416  0.74406  0.340274  
1 1 1 59 34 13 o 0.742187 0.315504  0.591039     0.81906  1.68841      1.19227  -0.389681    1.12712  0.986397 0.396067  0.652917 0.311644  
1 1 1 59 34 14 o 0.675572 0.300272  0.310568     0.818114 -0.0936039   1.13534  0.747109     1.17993  0.67742  0.319217  0.795357 0.356852  
1 1 1 59 34 15 o 0.789188 0.326378  0.86903      0.838499 0.220637     1.21326  1.4619       1.16015  0.71591  0.335592  0.904716 0.379593  
1 1 1 59 34 16 o 0.551331 0.265593  -0.582083    0.867387 -1.80293     1.28282  0.446169     1.1773   0.560875 0.279855  0.741184 0.341506  
1 1 1 59 34 17 o 0.471421 0.235514  -1.5244      0.922347 -1.79279     1.22695  -1.17565     1.39864  0.530286 0.265918  0.59916  0.298006  
1 1 1 59 35 0  o 0.468121 0.338214  -1.60098     1.44244  -1.60098     1.44244  -1.60098     1.44244  0.369088 0.269051  ?        ?         
1 1 1 59 35 1  o 1.61709  0.334837  3.35035      1.04636  4.67943      1.42296  1.78553      1.54401  1.8356   0.398764  1.09108  0.445818  
1 1 1 59 35 2  o 1.06338  0.37348   1.5609       0.986531 3.62979      1.40856  -0.431149    1.38215  1.54935  0.436163  0.752625 0.35394   
1 1 1 59 35 3  o 0.850696 0.354904  0.731075     1.00506  0.611148     1.3502   0.880103     1.50514  0.8775   0.388417  0.935195 0.412518  
1 1 1 59 35 4  o 1.11133  0.363748  1.71582      0.930933 0.362651     1.16484  4.10805      1.54878  0.805639 0.358183  1.60516  0.45913   
1 1 1 59 35 5  o 1.41399  0.332814  2.62414      0.926617 2.82004      1.20974  2.34606      1.44134  1.37103  0.409855  1.19105  0.447059  
1 1 1 59 35 6  o 0.953913 0.355108  1.22246      0.9057   0.830296     1.25147  1.65375      1.31241  0.886332 0.383662  1.04526  0.417202  
1 1 1 59 35 7  o 1.28769  0.339542  2.2513       0.887025 0.266877     1.18199  4.80977      1.3421   0.781606 0.353588  1.86393  0.373193  
1 1 1 59 35 8  o 0.99603  0.349108  1.38094      0.86161  1.92918      1.14738  0.672008     1.30473  1.11543  0.401658  0.858151 0.380585  
1 1 1 59 35 9  o 0.630835 0.291579  -0.204711    0.867064 1.10363      1.21083  -1.58173     1.2422   0.919334 0.386855  0.598054 0.294569  
1 1 1 59 35 10 o 0.727542 0.315651  0.384199     0.850779 1.16471      1.1715   -0.486845    1.23758  0.922756 0.383951  0.689657 0.328438  
1 1 1 59 35 11 o 0.553903 0.266714  -0.699008    0.872351 -0.337292    1.18746  -1.12309     1.28577  0.678292 0.322405  0.627748 0.306984  
1 1 1 59 35 12 o 1.15533  0.352783  2.06881      0.889955 2.23946      1.30318  1.91968      1.21828  1.07461  0.419536  1.02152  0.403767  
1 1 1 59 35 13 o 0.586265 0.277343  -0.314979    0.869478 -0.218393    1.18468  -0.427751    1.28011  0.668027 0.31901   0.664104 0.320589  
1 1 1 59 35 14 o 1.11187  0.367761  2.07655      0.951589 2.4883       1.30232  1.60491      1.39383  1.09953  0.421544  0.916451 0.400817  
1 1 1 59 35 15 o 0.722477 0.319969  0.544351     0.917925 -0.828964    1.32124  1.82568      1.27622  0.630998 0.309185  0.953391 0.398975  
1 1 1 59 35 16 o 0.943096 0.372359  1.83486      1.03506  1.03912      1.50229  2.55397      1.42812  0.769212 0.364205  0.973469 0.415298  
1 1 1 59 36 0  o 0.664578 0.430596  0.585646     1.312    0.585646     1.312    0.585646     1.312    0.621187 0.385086  ?        ?         
1 1 1 59 36 1  o 0.982706 0.359524  1.33393      0.922468 1.16189      1.28249  1.51835      1.32782  0.94489  0.397899  1.01359  0.413672  
1 1 1 59 36 2  o 0.647019 0.303362  -0.383188    0.993308 -2.03131     1.41814  1.20412      1.39173  0.616633 0.305666  0.95504  0.408784  
1 1 1 59 36 3  f 1.31362  0.365748  2.44738      0.995833 2.063        1.43214  2.80721      1.38565  1.11238  0.438377  1.29269  0.443709  
1 1 1 59 36 4  o 1.47632  0.358732  3.02044      1.05029  3.50087      1.52073  2.58227      1.45229  1.42094  0.464908  1.22008  0.45057   
1 1 1 59 36 5  o 1.75988  0.291175  3.82034      1.02487  4.52946      1.49133  3.18575      1.41078  1.70203  0.436127  1.37657  0.447787  
1 1 1 59 36 6  o 0.886985 0.353325  1.00756      0.939589 0.574706     1.24037  1.59035      1.43926  0.832677 0.369957  1.0133   0.423848  
1 1 1 59 36 7  o 0.609884 0.287528  -0.469693    0.923209 -1.80596     1.21448  1.35947      1.42092  0.573037 0.283766  0.967162 0.41348   
1 1 1 59 36 8  o 0.741975 0.326233  0.385803     0.933476 1.07784      1.2288   -0.558551    1.43543  0.903577 0.385346  0.721336 0.346062  
1 1 1 59 36 9  o 0.711767 0.322645  0.240986     0.98907  0.0213439    1.27587  0.571763     1.56573  0.734503 0.344279  0.83194  0.387316  
1 1 1 59 36 10 o 0.555334 0.27069   -0.926686    0.973998 -0.0734009   1.2839   -2.08356     1.49495  0.712358 0.337006  0.601214 0.300282  
1 1 1 59 36 11 o 1.42691  0.34836   3.05793      0.986865 3.83764      1.34021  2.13443      1.45857  1.44595  0.431216  1.00846  0.424486  
1 1 1 59 36 12 o 0.927758 0.366265  1.48764      1.00136  0.878237     1.41484  2.09929      1.41744  0.811061 0.373959  0.989254 0.417528  
1 1 1 59 36 13 o 0.683335 0.311716  0.231493     0.952617 0.449043     1.30881  -0.0135985   1.38919  0.760311 0.354025  0.72047  0.344387  
1 1 1 59 36 14 o 0.650003 0.30662   -0.038796    1.05283  -0.827741    1.39316  1.01173      1.60761  0.636417 0.313487  0.812227 0.381896  
1 1 1 59 36 15 o 0.729058 0.324593  0.816672     0.959635 1.36929      1.43821  0.373201     1.28838  0.79036  0.369214  0.685181 0.328508  
1 1 1 59 37 0  o 0.564064 0.38891   -0.192335    1.37579  -0.192335    1.37579  -0.192335    1.37579  0.48596  0.332735  ?        ?         
1 1 1 59 37 1  o 0.730699 0.323681  0.281712     0.940024 1.05454      1.35786  -0.429535    1.30264  0.917989 0.398533  0.714366 0.338664  
1 1 1 59 37 2  o 0.858359 0.35239   0.890224     0.969248 0.07729      1.46023  1.53047      1.29589  0.79674  0.37213   1.00166  0.408712  
1 1 1 59 37 3  o 2.58258  0.190993  7.36635      0.98651  6.91443      1.41374  7.79524      1.37725  2.34352  0.301628  2.53877  0.271243  
1 1 1 59 37 4  o 0.942221 0.358034  1.2447       0.932631 1.18075      1.33771  1.30519      1.30094  0.931639 0.399835  0.953046 0.401014  
1 1 1 59 37 5  o 0.98006  0.361122  1.40526      0.932122 1.03611      1.3666   1.72641      1.27464  0.901394 0.395535  1.02823  0.410908  
1 1 1 59 37 6  o 1.16239  0.372584  2.09796      0.979018 2.67416      1.44864  1.61354      1.32826  1.18066  0.446928  0.982579 0.408837  
1 1 1 59 37 7  o 2.28667  0.230472  6.22081      1.05402  5.76004      1.58522  6.58595      1.41115  1.8473   0.435632  2.19895  0.320869  
1 1 1 59 37 8  o 0.642699 0.300662  -0.103993    0.958004 1.12371      1.36012  -1.31274     1.34958  0.866942 0.386195  0.617047 0.304     
1 1 1 59 37 9  o 0.880959 0.353614  1.22376      0.949932 1.85397      1.29441  0.488205     1.39842  0.980742 0.405551  0.776278 0.363193  
1 1 1 59 37 10 o 0.516607 0.254469  -1.08415     0.919049 -0.261491    1.28181  -1.95447     1.31842  0.675358 0.324734  0.558957 0.279479  
1 1 1 59 37 11 o 1.47358  0.332951  3.16848      0.958222 1.44574      1.29378  5.26172      1.42613  0.899082 0.38965   1.76808  0.41078   
1 1 1 59 37 12 o 0.874552 0.360359  1.28697      1.01728  1.15547      1.47631  1.40585      1.40374  0.840275 0.385187  0.873879 0.390726  
1 1 1 59 37 13 o 1.20006  0.380155  2.6669       1.02142  2.73778      1.43524  2.59417      1.45394  1.0281   0.426205  0.996991 0.421933  
1 1 1 59 38 0  o 1.10159  0.541548  2.63578      1.40926  2.63578      1.40926  2.63578      1.40926  1.32278  0.427716  ?        ?         
1 1 1 59 38 1  o 1.55969  0.313309  3.27965      0.94293  3.10444      1.34132  3.45083      1.32583  1.30319  0.436624  1.40402  0.430975  
1 1 1 59 38 2  o 0.807641 0.341913  0.817572     0.955276 0.433901     1.38306  1.16759      1.32101  0.791671 0.366812  0.888815 0.389456  
1 1 1 59 38 3  o 1.2185   0.359553  2.28879      0.935517 3.44235      1.3615   1.25701      1.28763  1.36456  0.439578  0.897189 0.388775  
1 1 1 59 38 4  o 0.688993 0.313354  0.210774     0.946981 -1.12889     1.39914  1.34327      1.28642  0.642392 0.315856  0.906777 0.390699  
1 1 1 59 38 5  o 0.783512 0.335885  0.756637     0.942168 0.847819     1.39012  0.679164     1.28137  0.828828 0.377673  0.799235 0.363762  
1 1 1 59 38 6  o 0.571567 0.276107  -0.664479    0.954442 -0.303708    1.41775  -0.963509    1.29074  0.702332 0.338633  0.625884 0.306423  
1 1 1 59 38 7  o 1.05244  0.371863  1.90632      0.979325 0.7449       1.37496  3.10221      1.39521  0.799487 0.368633  1.21298  0.44231   
1 1 1 59 38 8  o 0.974808 0.36854   1.65508      0.984012 0.850605     1.43134  2.37602      1.355    0.809252 0.374269  1.0555   0.422889  
1 1 1 59 38 9  o 1.31177  0.37363   2.80702      1.02775  4.11954      1.49592  1.63363      1.41442  1.41188  0.461101  0.922677 0.403651  
1 1 1 59 38 10 o 0.618599 0.292881  -0.223356    0.971413 0.0400591    1.42274  -0.453396    1.32956  0.720858 0.345517  0.663474 0.321475  
1 1 1 59 38 11 o 0.559919 0.273409  -0.75377     1.00981  -1.15408     1.37386  -0.283358    1.48931  0.603485 0.299493  0.679887 0.331997  
1 1 1 59 38 12 o 0.594589 0.287521  -0.275646    1.04516  0.113077     1.47967  -0.662696    1.47649  0.676614 0.330516  0.624397 0.309954  
1 1 1 59 39 0  o 0.564382 0.389087  0.0634676    1.37644  0.0634676    1.37644  0.0634676    1.37644  0.504303 0.340999  ?        ?         
1 1 1 59 39 1  o 1.24161  0.366564  2.48305      0.972109 2.50993      1.3866   2.45706      1.36324  1.09088  0.430891  1.08582  0.427769  
1 1 1 59 39 2  o 0.628577 0.295495  -0.165745    0.961648 -0.60684     1.3349   0.310117     1.38652  0.659147 0.320234  0.752425 0.354036  
1 1 1 59 39 3  o 1.49309  0.341432  3.31004      0.997856 3.24893      1.37873  3.37727      1.44603  1.25253  0.44136   1.25321  0.450949  
1 1 1 59 39 4  o 0.886883 0.357019  1.30087      0.97228  0.899539     1.38388  1.69208      1.36632  0.813387 0.372891  0.92762  0.401198  
1 1 1 59 39 5  o 1.1695   0.370788  2.29606      0.971552 2.79184      1.44551  1.88755      1.31212  1.11694  0.440341  0.96982  0.405114  
1 1 1 59 39 6  o 0.830773 0.347582  1.03378      0.968267 2.1938       1.40952  -0.00278501  1.3324   1.01647  0.421935  0.711685 0.339491  
1 1 1 59 39 7  o 1.27968  0.368275  2.65498      0.993482 0.884458     1.47424  4.12795      1.34467  0.819665 0.379372  1.50805  0.426681  
1 1 1 59 39 8  o 0.859027 0.362198  1.24303      1.06489  -0.125       1.60035  2.33005      1.42655  0.721947 0.350708  1.01605  0.423288  
1 1 1 59 39 9  o 0.754194 0.340074  0.778619     1.08453  1.63303      1.51074  -0.129942    1.55787  0.863201 0.393438  0.695556 0.339631  
1 1 1 59 39 10 o 0.915145 0.369225  1.78923      1.0432   0.522805     1.45827  3.11661      1.49295  0.707813 0.341808  1.02586  0.430523  
1 1 1 59 40 0  o 0.497489 0.353979  -0.659627    1.39163  -0.659627    1.39163  -0.659627    1.39163  0.418833 0.297936  ?        ?         
1 1 1 59 40 1  o 0.836859 0.347576  1.04982      0.957331 1.00405      1.35065  1.09602      1.35712  0.833506 0.377473  0.846289 0.381073  
1 1 1 59 40 2  o 0.676241 0.309355  0.196        0.946796 0.0514959    1.33866  0.340641     1.33929  0.719177 0.342064  0.749666 0.351627  
1 1 1 59 40 3  o 1.37493  0.363717  2.99385      1.01577  4.06901      1.40705  1.82367      1.46791  1.44508  0.444062  0.942458 0.411768  
1 1 1 59 40 4  o 1.8448   0.300753  4.67008      1.10966  6.26586      1.50623  2.77596      1.641    1.94702  0.400531  1.05402  0.447271  
1 1 1 59 40 5  o 0.77375  0.339667  0.809176     1.00867  -1.20081     1.36484  3.22823      1.4973   0.609103 0.30143   1.16308  0.450594  
1 1 1 59 40 6  o 0.514846 0.255654  -1.31408     1.00854  -2.41792     1.40316  -0.134334    1.45059  0.541053 0.273043  0.688494 0.334281  
1 1 1 59 40 7  o 0.691292 0.318728  0.487385     1.02769  1.23614      1.42106  -0.333564    1.488    0.792852 0.369068  0.657339 0.32379   
1 1 1 59 40 8  f 0.674639 0.315457  0.422107     1.05306  1.87146      1.43731  -1.25753     1.54728  0.851132 0.386814  0.600345 0.300172  
1 1 1 59 41 0  o 1.08677  0.53826   2.91337      1.39629  2.91337      1.39629  2.91337      1.39629  1.37001  0.41393   ?        ?         
1 1 1 59 41 1  o 1.0912   0.374595  2.25687      0.987632 1.48895      1.39588  3.02664      1.39756  0.837517 0.380779  1.09478  0.432542  
1 1 1 59 41 2  o 0.648337 0.302034  0.223398     0.954093 -0.866812    1.3728   1.242        1.32695  0.609561 0.301814  0.801373 0.366446  
1 1 1 59 41 3  f 0.911042 0.365469  1.70172      1.01383  2.26277      1.39727  1.07795      1.47329  0.924704 0.402894  0.767218 0.362149  
1 1 1 59 41 4  o 0.615237 0.294695  -0.058663    1.03065  -0.485402    1.48127  0.341801     1.43495  0.636207 0.314645  0.691452 0.334799  
1 1 1 59 41 5  o 0.706548 0.324076  0.655554     1.04674  0.63107      1.46511  0.681081     1.49598  0.717865 0.345661  0.723115 0.348457  
1 1 1 60 0  0  o 0.529869 0.351947  -0.158692    0.94763  -0.158692    0.94763  -0.158692    0.94763  0.437385 0.291955  ?        ?         
1 1 1 60 0  1  f 0.951853 0.3747    1.25965      0.681745 1.25965      0.681745 1.25965      0.681745 1.0277   0.272134  ?        ?         
1 1 1 60 0  2  o 1.30361  0.303155  1.96317      0.68656  1.96317      0.68656  1.96317      0.68656  1.36212  0.185888  ?        ?         
1 1 1 60 0  3  o 2.62404  0.137665  6.95606      0.717935 6.95606      0.717935 6.95606      0.717935 2.63081  0.0967801 ?        ?         
1 1 1 60 0  4  o 6.23622  0.0985321 38.9607      1.22824  38.9607      1.22824  38.9607      1.22824  6.23905  0.0696215 ?        ?         
1 1 1 60 0  5  o 1.8084   0.200838  3.40374      0.705962 3.40374      0.705962 3.40374      0.705962 1.82747  0.138405  ?        ?         
1 1 1 60 0  6  f 7.06682  0.109543  50.0455      1.5474   50.0455      1.5474   50.0455      1.5474   7.07056  0.0773965 ?        ?         
1 1 1 60 0  7  o 7.37115  0.115013  54.4607      1.69463  54.4607      1.69463  54.4607      1.69463  7.37546  0.0812567 ?        ?         
1 1 1 60 0  8  o 1.51586  0.266172  2.51725      0.73257  2.51725      0.73257  2.51725      0.73257  1.55625  0.17115   ?        ?         
1 1 1 60 0  9  o 0.51961  0.335407  0.0560925    0.784974 0.0560925    0.784974 0.0560925    0.784974 0.442265 0.284286  ?        ?         
1 1 1 60 0  10 o 4.0856   0.124697  16.7756      1.01677  16.7756      1.01677  16.7756      1.01677  4.09073  0.0879693 ?        ?         
1 1 1 60 0  11 o 8.74439  0.131021  76.712       2.29023  76.712       2.29023  76.712       2.29023  8.7515   0.092547  ?        ?         
1 1 1 60 0  12 o 1.30279  0.335213  2.02179      0.753589 2.02179      0.753589 2.02179      0.753589 1.37302  0.208497  ?        ?         
1 1 1 60 0  13 o 8.63006  0.145519  74.8074      2.51007  74.8074      2.51007  74.8074      2.51007  8.63952  0.102752  ?        ?         
1 1 1 60 0  14 o 1.79585  0.228452  3.40714      0.790699 3.40714      0.790699 3.40714      0.790699 1.82222  0.156047  ?        ?         
1 1 1 60 0  15 o 6.00545  0.133699  36.2338      1.60405  36.2338      1.60405  36.2338      1.60405  6.01241  0.0943769 ?        ?         
1 1 1 60 0  16 o 0.680189 0.390166  0.633801     0.82937  0.633801     0.82937  0.633801     0.82937  0.650716 0.342777  ?        ?         
1 1 1 60 0  17 o 3.75469  0.139813  14.2114      1.04661  14.2114      1.04661  14.2114      1.04661  3.76224  0.0985066 ?        ?         
1 1 1 60 0  18 o 1.11751  0.407535  1.70527      0.836181 1.70527      0.836181 1.70527      0.836181 1.21182  0.280775  ?        ?         
1 1 1 60 0  19 o 2.78453  0.175285  7.90504      0.967309 7.90504      0.967309 7.90504      0.967309 2.79823  0.122756  ?        ?         
1 1 1 60 0  20 o 3.29888  0.163066  11.0439      1.06988  11.0439      1.06988  11.0439      1.06988  3.31113  0.114549  ?        ?         
1 1 1 60 0  21 o 2.2758   0.232161  5.41962      1.0315   5.41962      1.0315   5.41962      1.0315   2.30274  0.160151  ?        ?         
1 1 1 60 0  22 o 0.466428 0.32304   -0.573961    0.966533 -0.573961    0.966533 -0.573961    0.966533 0.370721 0.259764  ?        ?         
1 1 1 60 0  23 o 0.533128 0.357695  -0.230264    1.03458  -0.230264    1.03458  -0.230264    1.03458  0.440132 0.29697   ?        ?         
1 1 1 60 0  24 o 2.74719  0.211857  7.80726      1.1481   7.80726      1.1481   7.80726      1.1481   2.77109  0.147435  ?        ?         
1 1 1 60 0  25 o 0.488495 0.339636  -0.72475     1.11329  -0.72475     1.11329  -0.72475     1.11329  0.387958 0.273802  ?        ?         
1 1 1 60 0  26 o 3.41929  0.187026  11.9998      1.27025  11.9998      1.27025  11.9998      1.27025  3.442    0.130907  ?        ?         
1 1 1 60 0  27 o 0.688008 0.423167  0.589021     1.10327  0.589021     1.10327  0.589021     1.10327  0.639102 0.373388  ?        ?         
1 1 1 60 0  28 o 2.42831  0.262755  6.35411      1.24197  6.35411      1.24197  6.35411      1.24197  2.47609  0.179505  ?        ?         
1 1 1 60 0  29 o 2.34931  0.256515  5.98259      1.17246  5.98259      1.17246  5.98259      1.17246  2.39932  0.174905  ?        ?         
1 1 1 60 0  30 o 1.25939  0.482796  2.46206      1.14348  2.46206      1.14348  2.46206      1.14348  1.42027  0.327486  ?        ?         
1 1 1 60 0  31 o 0.704106 0.432265  0.793851     1.14705  0.793851     1.14705  0.793851     1.14705  0.681594 0.387691  ?        ?         
1 1 1 60 0  32 o 0.560118 0.379937  -0.0291406   1.22146  -0.0291406   1.22146  -0.0291406   1.22146  0.486448 0.326512  ?        ?         
1 1 1 60 0  33 o 0.460633 0.331462  -1.14184     1.31937  -1.14184     1.31937  -1.14184     1.31937  0.371647 0.268983  ?        ?         
1 1 1 60 0  34 o 0.452173 0.327089  -1.20106     1.37021  -1.20106     1.37021  -1.20106     1.37021  0.36903  0.267543  ?        ?         
1 1 1 60 0  35 o 0.522369 0.370399  -0.299389    1.48699  -0.299389    1.48699  -0.299389    1.48699  0.457647 0.32111   ?        ?         
1 1 1 60 1  0  o 3.13352  0.125634  9.88314      0.784475 9.88314      0.784475 9.88314      0.784475 3.13867  0.0885261 ?        ?         
1 1 1 60 1  1  o 6.23644  0.0684079 38.9334      0.853244 38.8383      1.1985   39.0311      1.21501  6.22571  0.096254  6.24099  0.097341  
1 1 1 60 1  2  o 4.20519  0.0737905 17.7051      0.620605 17.7246      0.873723 17.6851      0.881668 4.20503  0.10389   4.20024  0.104954  
1 1 1 60 1  3  o 8.70005  0.0755139 75.7886      1.31395  75.2277      1.86725  76.3388      1.84929  8.66204  0.107783  8.72616  0.105963  
1 1 1 60 1  4  f 4.2006   0.0750438 17.6681      0.630458 17.807       0.894627 17.531       0.888608 4.21435  0.106141  4.18156  0.106253  
1 1 1 60 1  5  o 2.92916  0.0940071 8.59806      0.550724 8.39793      0.774973 8.80223      0.782767 2.89174  0.133998  2.9607   0.132193  
1 1 1 60 1  6  o 2.53225  0.105662  6.43002      0.535125 6.07344      0.738137 6.82506      0.776914 2.45759  0.150175  2.60533  0.149101  
1 1 1 60 1  7  o 6.11751  0.078304  37.4836      0.958051 39.1991      1.37024  35.8429      1.34005  6.25121  0.109598  5.97718  0.112097  
1 1 1 60 1  8  o 3.81834  0.0914982 14.6133      0.698743 14.9498      0.97143  14.2526      1.00581  3.85818  0.125892  3.76612  0.133534  
1 1 1 60 1  9  f 4.67421  0.0831381 21.8913      0.777209 20.9349      1.05857  23.0098      1.14477  4.56679  0.115898  4.78718  0.119566  
1 1 1 60 1  10 o 8.62976  0.0985986 74.6882      1.70177  73.8472      2.38707  75.5575      2.42674  8.56888  0.139287  8.66729  0.139994  
1 1 1 60 1  11 o 3.56071  0.0891311 12.7101      0.634741 13.5047      0.869433 11.8033      0.928825 3.66679  0.118555  3.42573  0.135566  
1 1 1 60 1  12 o 3.15527  0.0976686 9.98717      0.616341 9.53523      0.829784 10.5434      0.92054  3.07856  0.134768  3.2361   0.14223   
1 1 1 60 1  13 o 3.06037  0.108003  9.40505      0.661058 9.34204      0.900612 9.47866      0.973377 3.04448  0.147909  3.06483  0.158798  
1 1 1 60 1  14 o 2.63367  0.118169  6.97091      0.622434 7.77873      0.888406 6.19207      0.872325 2.77622  0.160003  2.47453  0.176261  
1 1 1 60 1  15 o 3.96307  0.103546  15.7693      0.82072  15.8062      1.18305  15.735       1.13952  3.95902  0.149412  3.95123  0.144199  
1 1 1 60 1  16 o 4.30154  0.0889103 18.5616      0.764903 17.9941      1.09002  19.1121      1.07363  4.22789  0.128909  4.35851  0.123165  
1 1 1 60 1  17 o 3.84749  0.101382  14.8697      0.780133 16.28        1.11513  13.5178      1.09179  4.01789  0.13877   3.65881  0.1492    
1 1 1 60 1  18 o 4.55512  0.093861  20.8409      0.855097 21.3777      1.26218  20.3855      1.16253  4.60202  0.137134  4.49628  0.129277  
1 1 1 60 1  19 o 2.60125  0.129999  6.82833      0.676318 7.02225      0.960992 6.63802      0.951989 2.62621  0.182962  2.55247  0.186484  
1 1 1 60 1  20 o 2.58028  0.136593  6.73046      0.704896 7.20694      1.01935  6.29382      0.97582  2.65609  0.19189   2.48081  0.196674  
1 1 1 60 1  21 o 2.33045  0.155881  5.51345      0.726548 5.73895      0.990941 5.25131      1.06842  2.36302  0.209677  2.25189  0.237226  
1 1 1 60 1  22 o 1.15154  0.304727  1.46204      0.712844 1.90512      1.01172  1.02523      1.00454  1.29889  0.370942  1.02918  0.375309  
1 1 1 60 1  23 o 2.62591  0.156869  7.02337      0.823847 5.96937      1.17475  8.04344      1.15568  2.38937  0.245828  2.79133  0.207012  
1 1 1 60 1  24 o 2.10634  0.188894  4.5633       0.795751 3.95155      1.16249  5.1027       1.09158  1.91869  0.302939  2.20556  0.247461  
1 1 1 60 1  25 o 0.536595 0.256236  -0.900085    0.764122 -0.591791    1.05548  -1.23962     1.10767  0.703555 0.323844  0.643994 0.307756  
1 1 1 60 1  26 o 3.70461  0.123887  13.9512      0.917902 12.5346      1.2634   15.5349      1.33584  3.47913  0.181569  3.87994  0.172148  
1 1 1 60 1  27 o 1.23159  0.3167    1.76429      0.784335 2.42037      1.10477  1.09752      1.11372  1.40743  0.382525  1.0255   0.390793  
1 1 1 60 1  28 o 2.12419  0.194133  4.74715      0.824749 4.4707       1.13126  5.0608       1.20497  2.00689  0.281844  2.13496  0.2822    
1 1 1 60 1  29 o 0.635462 0.28874   -0.233548    0.799971 0.543528     1.17433  -0.90639     1.09273  0.884749 0.376994  0.648819 0.308814  
1 1 1 60 1  30 o 1.1748   0.324371  1.71705      0.786749 2.24543      1.10812  1.17997      1.1172   1.2887   0.393685  0.995193 0.388464  
1 1 1 60 1  31 o 1.03766  0.345787  1.42865      0.841267 0.492992     1.15539  2.48445      1.22733  0.83184  0.36436   1.28785  0.417607  
1 1 1 60 1  32 f 0.99249  0.357381  1.38437      0.908351 1.05199      1.33134  1.67386      1.24247  0.920626 0.397073  1.0412   0.408954  
1 1 1 60 1  33 o 1.17701  0.366972  2.19368      0.956252 2.01348      1.32536  2.38933      1.38105  1.03439  0.416653  1.10161  0.431516  
1 1 1 60 1  34 o 0.576465 0.278405  -0.617433    0.968125 -0.735643    1.32436  -0.481766    1.41878  0.644443 0.314397  0.680953 0.330612  
1 1 1 60 1  35 o 0.563502 0.277531  -0.782788    1.11291  -0.328787    1.55388  -1.26096     1.5947   0.653472 0.322961  0.605928 0.303553  
1 1 1 60 2  0  o 3.94768  0.107226  15.6396      0.845179 15.6396      0.845179 15.6396      0.845179 3.95119  0.0756893 ?        ?         
1 1 1 60 2  1  o 0.818655 0.264002  0.664044     0.490994 0.857227     0.694585 0.471101     0.694155 0.940118 0.314199  0.808373 0.308385  
1 1 1 60 2  2  o 1.87542  0.134877  3.53237      0.505902 3.6854       0.714085 3.37816      0.71683  1.91185  0.186752  1.82968  0.19589   
1 1 1 60 2  3  o 6.20029  0.0710658 38.4904      0.881257 38.797       1.25185  38.1892      1.2408   6.22114  0.100613  6.17223  0.100514  
1 1 1 60 2  4  o 2.14291  0.125306  4.60991      0.537041 5.08873      0.753902 4.11663      0.765206 2.24803  0.16768   2.02002  0.189405  
1 1 1 60 2  5  o 2.99209  0.0945227 8.97308      0.565642 8.2825       0.771515 9.77572      0.831753 2.87134  0.134347  3.11956  0.133312  
1 1 1 60 2  6  o 5.33299  0.0791423 28.4882      0.84413  27.6651      1.18149  29.3466      1.20646  5.25097  0.112502  5.40835  0.111537  
1 1 1 60 2  7  o 5.83623  0.0834966 34.1275      0.97461  35.2105      1.33902  32.9073      1.42127  5.92344  0.113027  5.72436  0.124142  
1 1 1 60 2  8  f 5.90396  0.0777791 34.9172      0.918409 33.5136      1.25083  36.5589      1.35281  5.77947  0.108213  6.03562  0.112069  
1 1 1 60 2  9  o 0.945086 0.267751  0.936782     0.529168 1.15841      0.763791 0.732207     0.73382  1.05856  0.327555  0.903036 0.32161   
1 1 1 60 2  10 o 1.63526  0.16225   2.69595      0.530641 2.83883      0.737318 2.54242      0.764288 1.67224  0.220459  1.58013  0.241844  
1 1 1 60 2  11 o 0.749245 0.263972  0.507626     0.493169 0.382055     0.694592 0.635283     0.700337 0.777731 0.305676  0.860059 0.313396  
1 1 1 60 2  12 o 2.18074  0.12982   4.78386      0.566205 5.08502      0.806214 4.49076      0.795366 2.24218  0.179784  2.10586  0.188846  
1 1 1 60 2  13 o 3.12062  0.106872  9.77825      0.667016 10.0488      0.903894 9.45483      0.988361 3.15829  0.143099  3.06046  0.161473  
1 1 1 60 2  14 o 5.17648  0.0817591 26.8615      0.846448 26.3129      1.16612  27.4725      1.2306   5.11736  0.113937  5.22807  0.117692  
1 1 1 60 2  15 o 1.42333  0.20088   2.05821      0.57184  1.58045      0.815163 2.52111      0.802394 1.21092  0.328348  1.56761  0.255929  
1 1 1 60 2  16 o 1.02552  0.275134  1.12135      0.576144 1.61007      0.846192 0.699003     0.786646 1.221    0.336084  0.901364 0.331784  
1 1 1 60 2  17 o 1.61053  0.190462  2.64027      0.613491 3.86165      0.912997 1.63479      0.828378 1.93897  0.235434  1.22487  0.330492  
1 1 1 60 2  18 o 1.92812  0.166607  3.7704       0.642475 4.34093      0.921809 3.23145      0.895936 2.05721  0.224043  1.7688   0.253261  
1 1 1 60 2  19 o 2.19962  0.157994  4.90725      0.695052 4.95661      0.99376  4.85998      0.972489 2.19434  0.226437  2.17359  0.223706  
1 1 1 60 2  20 o 0.864972 0.307541  0.705233     0.670774 0.944835     0.933969 0.449987     0.963978 0.999024 0.362122  0.875854 0.354286  
1 1 1 60 2  21 o 1.54766  0.218874  2.47017      0.677488 2.70194      0.960185 2.24039      0.956053 1.56887  0.317105  1.41735  0.340925  
1 1 1 60 2  22 o 1.64561  0.220175  2.80538      0.724644 2.22783      1.02992  3.37159      1.01976  1.39956  0.364412  1.78315  0.285944  
1 1 1 60 2  23 o 4.76251  0.111367  22.8961      1.06077  19.715       1.46342  26.4181      1.53981  4.39385  0.16653   5.09561  0.151092  
1 1 1 60 2  24 o 0.967861 0.330893  0.982767     0.770359 1.25741      1.11425  0.731275     1.06624  1.09646  0.395719  0.954575 0.377598  
1 1 1 60 2  25 o 1.1655   0.324995  1.54413      0.785699 1.71697      1.12112  1.37732      1.10143  1.21793  0.399179  1.11973  0.394494  
1 1 1 60 2  26 o 2.02589  0.199607  4.29172      0.808766 3.80643      1.10158  4.8592       1.1912   1.85945  0.296212  2.1098   0.282302  
1 1 1 60 2  27 o 1.67424  0.244542  3.01439      0.818842 3.29507      1.13812  2.71318      1.179    1.6667   0.352302  1.48148  0.391831  
1 1 1 60 2  28 o 2.0571   0.197249  4.47515      0.811523 4.01307      1.1186   4.9886       1.17913  1.88483  0.296737  2.11588  0.278638  
1 1 1 60 2  29 o 0.84892  0.331249  0.723473     0.812193 1.76029      1.16911  -0.243679    1.12916  1.15136  0.406353  0.739266 0.338041  
1 1 1 60 2  30 f 1.17544  0.334763  1.74819      0.825094 2.71605      1.16064  0.759316     1.17318  1.41389  0.395243  0.906682 0.381127  
1 1 1 60 2  31 o 1.10731  0.359256  1.70253      0.908226 1.99713      1.25995  1.38388      1.31039  1.13674  0.419698  0.998894 0.409853  
1 1 1 60 2  32 o 0.479811 0.23807   -1.55012     0.865958 -1.12582     1.26803  -1.92094     1.18543  0.64013  0.311345  0.557389 0.276833  
1 1 1 60 2  33 o 1.06959  0.368717  1.89336      0.957735 -0.119113    1.319    4.13768      1.39291  0.708076 0.337771  1.50974  0.436582  
1 1 1 60 2  34 o 1.9375   0.27908   4.93875      1.08144  5.8511       1.45474  3.81177      1.61683  1.88997  0.397423  1.26235  0.473559  
1 1 1 60 3  0  o 5.25935  0.107689  27.7357      1.13168  27.7357      1.13168  27.7357      1.13168  5.26292  0.0760599 ?        ?         
1 1 1 60 3  1  o 5.9195   0.0723386 35.0867      0.856416 35.8932      1.21928  34.3013      1.20319  5.9833   0.10189   5.84896  0.102855  
1 1 1 60 3  2  o 2.01291  0.138809  4.07168      0.55882  2.99103      0.780528 5.20815      0.80043  1.71825  0.227129  2.27322  0.176057  
1 1 1 60 3  3  o 3.68794  0.0849135 13.6263      0.626311 13.7305      0.879314 13.5191      0.892305 3.69873  0.118867  3.66983  0.121573  
1 1 1 60 3  4  o 3.63601  0.0906183 13.2495      0.658978 14.0655      0.897734 12.2961      0.97037  3.74328  0.119913  3.49769  0.138716  
1 1 1 60 3  5  o 5.07287  0.0775311 25.7766      0.78661  25.2288      1.09388  26.3631      1.13197  5.0147   0.109068  5.12599  0.110414  
1 1 1 60 3  6  o 8.3192   0.0942371 69.3824      1.56796  72.4001      2.18245  66.1633      2.25413  8.48923  0.128543  8.11222  0.138934  
1 1 1 60 3  7  o 6.53502  0.0780367 42.7819      1.01994  43.7753      1.4135   41.7029      1.47318  6.60541  0.106996  6.44567  0.114277  
1 1 1 60 3  8  o 2.94297  0.0960355 8.68501      0.565259 7.66985      0.773941 9.84566      0.827541 2.76136  0.140137  3.12962  0.132211  
1 1 1 60 3  9  o 1.43513  0.199994  2.08526      0.574033 1.39437      0.886704 2.58371      0.753158 1.15353  0.352119  1.59351  0.23632   
1 1 1 60 3  10 o 1.15805  0.239576  1.41501      0.536083 2.06474      0.822268 0.93469      0.706993 1.38989  0.304156  0.966706 0.316993  
1 1 1 60 3  11 o 3.25747  0.0978065 10.6465      0.637203 10.9327      0.890906 10.3467      0.911736 3.2959   0.135154  3.20525  0.142225  
1 1 1 60 3  12 o 2.50363  0.123128  6.3024       0.616534 6.24746      0.844193 6.36519      0.902551 2.48654  0.169752  2.50826  0.179916  
1 1 1 60 3  13 o 3.35241  0.0991979 11.2784      0.665104 11.0748      0.875078 11.5568      1.02345  3.31743  0.131891  3.38553  0.151151  
1 1 1 60 3  14 o 5.03793  0.0831204 25.4488      0.837509 25.9996      1.13577  24.7923      1.2399   5.08667  0.111642  4.96417  0.124885  
1 1 1 60 3  15 o 3.90531  0.0936611 15.305       0.73155  14.5909      1.01677  16.0715      1.05333  3.8061   0.133572  3.99492  0.131834  
1 1 1 60 3  16 o 2.541    0.122356  6.50063      0.621813 6.93804      0.875769 6.05593      0.883028 2.61741  0.167297  2.4428   0.180741  
1 1 1 60 3  17 o 2.47001  0.129672  6.15264      0.640582 6.55553      0.924479 5.78055      0.888436 2.53932  0.182033  2.38356  0.186367  
1 1 1 60 3  18 f 2.01392  0.16217   4.11402      0.653198 4.24771      0.943109 3.99076      0.905559 2.03128  0.232147  1.96942  0.229905  
1 1 1 60 3  19 o 1.02413  0.302899  1.12663      0.663189 0.892031     0.973963 1.32944      0.905551 0.993573 0.36857   1.11527  0.358418  
1 1 1 60 3  20 f 1.3258   0.26426   1.89107      0.675881 4.09838      0.978601 -0.122197    0.934597 1.98686  0.246268  0.743408 0.326648  
1 1 1 60 3  21 o 1.45062  0.236432  2.18525      0.685947 2.04514      0.957728 2.33282      0.982912 1.34887  0.3515    1.44293  0.344801  
1 1 1 60 3  22 o 2.90198  0.139075  8.54393      0.807185 8.42325      1.14719  8.66226      1.13596  2.85939  0.200601  2.90171  0.195739  
1 1 1 60 3  23 o 2.50213  0.167921  6.39773      0.840321 5.84975      1.19895  6.92682      1.17811  2.36016  0.253998  2.58013  0.228304  
1 1 1 60 3  24 o 1.5694   0.247791  2.59612      0.777767 2.42581      1.11191  2.75928      1.08832  1.44165  0.380162  1.54983  0.358047  
1 1 1 60 3  25 o 0.91065  0.32828   0.836877     0.766632 1.44719      1.11834  0.295831     1.05297  1.13339  0.397688  0.845551 0.358516  
1 1 1 60 3  26 o 0.494666 0.241157  -1.24987     0.774198 -1.17291     1.05355  -1.34021     1.14149  0.6207   0.297466  0.635838 0.305905  
1 1 1 60 3  27 o 0.652616 0.29039   -0.120758    0.767048 0.305025     1.02534  -0.661877    1.1559   0.823697 0.351664  0.711885 0.33195   
1 1 1 60 3  28 o 0.481448 0.235834  -1.29741     0.767194 -2.37934     1.07307  -0.166084    1.09729  0.517176 0.257755  0.750819 0.340118  
1 1 1 60 3  29 o 1.02227  0.335376  1.28886      0.791375 1.04067      1.13083  1.52708      1.10787  0.968215 0.386989  1.08691  0.394356  
1 1 1 60 3  30 o 0.782563 0.323516  0.518702     0.823367 -0.230964    1.16163  1.27561      1.16722  0.733797 0.338529  1.00136  0.395401  
1 1 1 60 3  31 o 0.582186 0.275754  -0.565489    0.861912 -2.22065     1.19222  1.24676      1.24751  0.543954 0.271183  0.95893  0.397431  
1 1 1 60 3  32 o 0.745195 0.323934  0.445164     0.899276 0.411282     1.27231  0.478989     1.27122  0.7999   0.363639  0.808998 0.366299  
1 1 1 60 3  33 o 0.820902 0.347597  0.98499      0.987629 1.0878       1.32204  0.855152     1.48567  0.842782 0.377941  0.818144 0.379499  
1 1 1 60 3  34 o 1.1989   0.391336  2.65707      1.0775   4.74164      1.44539  0.0494841    1.61657  1.54377  0.444182  0.726136 0.352661  
1 1 1 60 4  0  o 2.30765  0.178423  5.44253      0.812153 5.44253      0.812153 5.44253      0.812153 2.32057  0.124557  ?        ?         
1 1 1 60 4  1  o 5.04218  0.0785876 25.4664      0.792506 26.2169      1.12816  24.7352      1.11353  5.11185  0.110347  4.96502  0.112137  
1 1 1 60 4  2  o 6.3279   0.0815811 40.1157      1.03247  38.6195      1.51632  41.409       1.40977  6.20184  0.122248  6.42445  0.109719  
1 1 1 60 4  3  o 3.97715  0.0857    15.85        0.681684 15.6445      0.958161 16.0607      0.970043 3.94731  0.121369  3.99948  0.121271  
1 1 1 60 4  4  o 5.63896  0.0774471 31.8518      0.873443 31.9054      1.21309  31.794       1.25864  5.63936  0.107556  5.62877  0.111804  
1 1 1 60 4  5  o 3.56219  0.0881724 12.7176      0.628173 12.3997      0.876439 13.0534      0.900803 3.51352  0.124724  3.60492  0.124941  
1 1 1 60 4  6  o 2.14729  0.123981  4.63177      0.532448 4.64118      0.741497 4.62175      0.765045 2.14497  0.172846  2.13983  0.178763  
1 1 1 60 4  7  o 3.22419  0.0951345 10.424       0.613463 10.0907      0.89984  10.7134      0.838536 3.1669   0.142069  3.26497  0.128414  
1 1 1 60 4  8  o 3.22441  0.0936983 10.4255      0.604244 10.1987      0.909025 10.605       0.808791 3.18328  0.142781  3.24858  0.124484  
1 1 1 60 4  9  o 1.90902  0.142742  3.6687       0.544993 4.37941      0.904869 3.26413      0.682712 2.07638  0.217896  1.79594  0.190071  
1 1 1 60 4  10 f 3.82768  0.0899414 14.6924      0.688534 14.1518      1.09574  15.0452      0.885104 3.74785  0.146183  3.86993  0.114357  
1 1 1 60 4  11 o 2.43258  0.126211  5.95141      0.614036 7.4967       0.959981 4.88141      0.798818 2.72271  0.176291  2.19626  0.181859  
1 1 1 60 4  12 o 2.60177  0.12541   6.80723      0.652576 7.08923      0.958135 6.56323      0.891253 2.64695  0.180988  2.54785  0.174903  
1 1 1 60 4  13 o 4.97284  0.0927301 24.8102      0.922265 25.3038      1.29077  24.2953      1.31822  5.01444  0.128705  4.91215  0.13418   
1 1 1 60 4  14 o 2.70731  0.117676  7.37001      0.637173 6.96476      0.862925 7.85583      0.944832 2.62491  0.164372  2.78683  0.169517  
1 1 1 60 4  15 o 1.62654  0.178521  2.68163      0.580744 3.40441      0.830578 1.99029      0.812318 1.82489  0.227569  1.35832  0.306312  
1 1 1 60 4  16 o 4.87604  0.0970667 23.8875      0.946602 23.0087      1.24201  25.1053      1.46216  4.77678  0.130005  4.98402  0.146685  
1 1 1 60 4  17 o 5.24419  0.095534  27.6322      1.002    29.3677      1.38592  25.7315      1.45035  5.39603  0.128421  5.04552  0.143726  
1 1 1 60 4  18 o 2.12101  0.154827  4.56051      0.656781 4.54934      0.926553 4.5718       0.931122 2.10377  0.220212  2.10881  0.220769  
1 1 1 60 4  19 o 1.13049  0.287567  1.39195      0.651912 0.742654     0.920213 2.04615      0.923682 0.938393 0.355916  1.35782  0.340457  
1 1 1 60 4  20 o 1.20806  0.290622  1.59734      0.694666 1.56748      1.00651  1.62451      0.959954 1.19349  0.377299  1.21053  0.365751  
1 1 1 60 4  21 o 0.838368 0.311961  0.620108     0.698831 0.456654     0.996081 0.778551     0.980691 0.879974 0.358573  0.954477 0.365841  
1 1 1 60 4  22 o 0.702456 0.302079  0.0369729    0.766223 0.793055     1.13332  -0.599602    1.0399   0.991253 0.390183  0.701382 0.322255  
1 1 1 60 4  23 o 4.2192   0.110674  17.9855      0.93391  18.4893      1.30928  17.4636      1.33252  4.25782  0.15375   4.13405  0.161165  
1 1 1 60 4  24 o 1.36833  0.295134  2.08735      0.784667 0.762468     1.11535  3.38568      1.10411  0.969152 0.385301  1.73372  0.330299  
1 1 1 60 4  25 o 1.07959  0.325703  1.33401      0.761622 2.03825      1.0923   0.667661     1.06251  1.30021  0.389608  0.92209  0.372379  
1 1 1 60 4  26 o 2.80887  0.154544  8.12366      0.868187 9.07556      1.20194  7.0852       1.25541  2.93724  0.204604  2.56831  0.244403  
1 1 1 60 4  27 o 2.31251  0.17492   5.57773      0.809009 5.66717      1.11479  5.47821      1.17588  2.28695  0.243729  2.23427  0.263146  
1 1 1 60 4  28 o 0.681319 0.297948  0.066421     0.770018 -0.542514    1.07504  0.707968     1.10345  0.68617  0.320025  0.903    0.373986  
1 1 1 60 4  29 o 0.647714 0.290108  -0.0781338   0.776853 0.125748     1.07957  -0.297079    1.11874  0.776793 0.345135  0.723914 0.333296  
1 1 1 60 4  30 o 1.44396  0.317157  2.63275      0.891028 2.27266      1.24955  3.00527      1.27093  1.22585  0.421297  1.42506  0.418629  
1 1 1 60 4  31 o 0.800729 0.331868  0.668616     0.869882 1.83009      1.22471  -0.513919    1.23576  1.07975  0.410288  0.693491 0.329281  
1 1 1 60 4  32 o 0.636974 0.296245  -0.111057    0.913009 -0.485423    1.24161  0.329712     1.34723  0.669453 0.321335  0.774226 0.359994  
1 1 1 60 4  33 o 0.707356 0.324809  0.308264     1.05474  1.62868      1.56994  -0.778023    1.42397  0.907149 0.409095  0.65752  0.321897  
1 1 1 60 4  34 f 0.895264 0.365913  1.66327      1.04044  0.993165     1.37715  2.55438      1.5881   0.757712 0.35561   0.926809 0.41496   
1 1 1 60 5  0  o 1.63333  0.267146  2.89651      0.802227 2.89651      0.802227 2.89651      0.802227 1.67194  0.173953  ?        ?         
1 1 1 60 5  1  o 7.45749  0.0798468 55.7156      1.19091  55.7229      1.70221  55.7086      1.66676  7.45099  0.114227  7.45059  0.111854  
1 1 1 60 5  2  o 3.33763  0.0932899 11.1677      0.622735 11.2751      0.872777 11.0564      0.888802 3.34972  0.130276  3.31661  0.133992  
1 1 1 60 5  3  o 5.06277  0.0766089 25.6755      0.775707 25.2992      1.08252  26.0726      1.11211  5.0214   0.10779   5.09737  0.109087  
1 1 1 60 5  4  o 4.17031  0.0793429 17.4238      0.661769 16.8968      0.951825 17.917       0.920714 4.10246  0.116007  4.22548  0.108948  
1 1 1 60 5  5  o 5.07338  0.0758551 25.7839      0.769683 25.7877      1.06331  25.7796      1.11557  5.06977  0.104867  5.06813  0.110057  
1 1 1 60 5  6  o 2.49022  0.112924  6.22566      0.56241  6.65968      0.839521 5.87228      0.75752  2.57001  0.16333   2.41407  0.156897  
1 1 1 60 5  7  o 4.07486  0.078762  16.6373      0.641887 17.4598      0.971089 15.999       0.855407 4.16939  0.116455  3.9925   0.107127  
1 1 1 60 5  8  o 3.25258  0.0925858 10.6094      0.602285 9.93358      0.915882 11.1243      0.799458 3.14054  0.145816  3.32724  0.120138  
1 1 1 60 5  9  o 3.10891  0.102926  9.70125      0.639972 10.0151      1.01012  9.49081      0.827168 3.15037  0.160317  3.07088  0.134679  
1 1 1 60 5  10 o 0.661435 0.26435   0.235258     0.527606 0.58653      0.776676 -0.0657431   0.718957 0.866212 0.327438  0.670905 0.29061   
1 1 1 60 5  11 o 1.34707  0.217353  1.84523      0.585578 2.21185      0.922907 1.59818      0.75761  1.43261  0.328876  1.21993  0.309818  
1 1 1 60 5  12 o 2.16914  0.140745  4.74029      0.610593 5.57934      0.928507 4.10097      0.810492 2.34472  0.197999  2.00968  0.201647  
1 1 1 60 5  13 o 4.89058  0.0890722 23.9931      0.87123  25.1649      1.24403  22.8652      1.22052  5.00109  0.124376  4.76622  0.128038  
1 1 1 60 5  14 o 1.17878  0.261415  1.48201      0.600021 1.89213      0.901622 1.15599      0.80388  1.31967  0.339675  1.05623  0.337523  
1 1 1 60 5  15 f 1.92204  0.15209   3.73583      0.584646 3.1056       0.806101 4.43527      0.849211 1.73983  0.23166   2.0852   0.203628  
1 1 1 60 5  16 o 4.13454  0.0936832 17.1706      0.774673 16.5328      1.05261  17.9242      1.14422  4.04872  0.129993  4.21403  0.135763  
1 1 1 60 5  17 o 4.80403  0.0946656 23.194       0.909553 23.9911      1.22464  22.2134      1.35832  4.87659  0.125563  4.68563  0.144946  
1 1 1 60 5  18 o 2.04225  0.162157  4.23533      0.662329 3.52959      0.92275  4.98534      0.95125  1.84504  0.250062  2.20274  0.215924  
1 1 1 60 5  19 o 2.74775  0.132989  7.63377      0.730843 7.97306      1.05451  7.32015      1.01383  2.79231  0.188824  2.67533  0.189477  
1 1 1 60 5  20 o 2.36938  0.15488   5.7069       0.733938 6.04454      1.06427  5.40072      1.01348  2.41851  0.220026  2.28551  0.221719  
1 1 1 60 5  21 o 0.836038 0.316611  0.59051      0.72727  0.601833     1.05926  0.580412     1.0003   0.930051 0.373372  0.909348 0.363756  
1 1 1 60 5  22 o 1.89453  0.205937  3.70656      0.780308 3.82132      1.14942  3.60847      1.06272  1.8885   0.304321  1.84135  0.28857   
1 1 1 60 5  23 o 3.43383  0.125192  11.9535      0.859777 11.5114      1.17461  12.4636      1.26189  3.34796  0.175422  3.48057  0.181276  
1 1 1 60 5  24 o 1.22018  0.322094  1.7033       0.797654 1.19808      1.158    2.15944      1.10031  1.07497  0.401263  1.34763  0.387486  
1 1 1 60 5  25 o 2.41058  0.169571  6.00787      0.817528 4.06597      1.17758  7.81464      1.13587  1.91251  0.307862  2.72668  0.208288  
1 1 1 60 5  26 o 1.3596   0.311906  2.14485      0.830571 1.96593      1.16442  2.33018      1.18506  1.25691  0.406682  1.36247  0.405319  
1 1 1 60 5  27 o 1.63813  0.240925  2.91874      0.789333 3.18148      1.0834   2.62149      1.15236  1.62399  0.344066  1.43375  0.391122  
1 1 1 60 5  28 o 0.692743 0.301222  0.128584     0.778027 0.0652125    1.08956  0.194516     1.11136  0.773502 0.345082  0.800808 0.353696  
1 1 1 60 5  29 o 0.981903 0.329418  1.18849      0.763504 1.97644      1.06598  0.358449     1.09409  1.20684  0.388975  0.816193 0.356056  
1 1 1 60 5  30 o 0.859367 0.338098  0.870501     0.85054  0.952362     1.22819  0.795065     1.17901  0.911791 0.386931  0.878075 0.376058  
1 1 1 60 5  31 o 0.574833 0.275433  -0.708809    0.902196 0.507293     1.23153  -2.11742     1.32543  0.81836  0.365937  0.583424 0.290169  
1 1 1 60 5  32 o 0.73103  0.323245  0.490709     0.931831 0.147962     1.21749  0.975435     1.44786  0.723045 0.338442  0.847124 0.385856  
1 1 1 60 5  33 o 0.712697 0.321117  0.416894     0.96516  -0.080538    1.32589  0.977584     1.40767  0.702964 0.336121  0.828735 0.378319  
1 1 1 60 6  0  o 2.82403  0.154983  8.07528      0.869325 8.07528      0.869325 8.07528      0.869325 2.83296  0.108857  ?        ?         
1 1 1 60 6  1  o 7.7552   0.0790604 60.256       1.22626  60.3693      1.7456   60.1456      1.723    7.75508  0.112545  7.74103  0.11129   
1 1 1 60 6  2  o 4.44     0.0807102 19.7524      0.716706 20.2515      1.02393  19.273       1.00353  4.49137  0.113988  4.38144  0.114521  
1 1 1 60 6  3  o 4.81473  0.0787479 23.2256      0.7583   22.9389      1.04293  23.5471      1.10451  4.78076  0.109076  4.84291  0.114034  
1 1 1 60 6  4  f 2.86336  0.0999844 8.2243       0.572583 8.06447      0.79779  8.39409      0.822274 2.83104  0.1409    2.88813  0.142354  
1 1 1 60 6  5  o 4.55655  0.0780905 20.8023      0.711646 20.6189      1.02266  20.9744      0.990929 4.53157  0.112837  4.57119  0.108388  
1 1 1 60 6  6  o 6.35433  0.0755027 40.4526      0.959538 39.432       1.38044  41.4066      1.3347   6.26694  0.110137  6.42334  0.103894  
1 1 1 60 6  7  o 5.08921  0.0795517 25.9558      0.809711 24.4348      1.24119  27.0826      1.06836  4.92977  0.125887  5.19468  0.102832  
1 1 1 60 6  8  o 6.02455  0.0780131 36.374       0.939988 34.8235      1.31412  37.9985      1.34511  5.88801  0.111593  6.15111  0.109339  
1 1 1 60 6  9  o 5.13512  0.0797964 26.4299      0.819528 28.9026      1.25888  24.6111      1.07963  5.36275  0.117373  4.95031  0.109047  
1 1 1 60 6  10 o 1.05819  0.263687  1.19211      0.556683 1.23705      0.833606 1.15594      0.747888 1.09086  0.343137  1.05245  0.323816  
1 1 1 60 6  11 o 2.6738   0.11096   7.18226      0.593371 7.23638      0.833152 7.12656      0.845285 2.67785  0.155564  2.6569   0.159073  
1 1 1 60 6  12 o 3.44123  0.0983139 11.8874      0.676641 12.8821      0.956977 10.8929      0.956853 3.57649  0.133787  3.28665  0.145567  
1 1 1 60 6  13 o 3.63252  0.0952699 13.2434      0.692139 13.3646      0.969918 13.1177      0.987996 3.64263  0.133134  3.60808  0.136914  
1 1 1 60 6  14 o 4.25589  0.0925442 18.1848      0.787716 18.1072      1.13398  18.2571      1.09503  4.23768  0.133798  4.25651  0.128631  
1 1 1 60 6  15 o 2.93249  0.113345  8.65517      0.664768 8.78902      0.984776 8.54312      0.901041 2.94401  0.167251  2.90536  0.155065  
1 1 1 60 6  16 o 1.09818  0.274519  1.30264      0.60192  1.30543      0.853782 1.29988      0.848728 1.10552  0.347168  1.1032   0.346079  
1 1 1 60 6  17 o 3.51763  0.106107  12.4544      0.746489 13.2309      1.03813  11.6229      1.07419  3.61587  0.143551  3.38458  0.158688  
1 1 1 60 6  18 o 1.11086  0.285933  1.34345      0.638882 0.53084      0.878669 2.25496      0.930596 0.869526 0.343151  1.42819  0.331835  
1 1 1 60 6  19 o 3.81116  0.128603  14.6831      0.980253 11.3284      1.41285  17.7969      1.36117  3.31641  0.213009  4.18219  0.162734  
1 1 1 60 6  20 f 1.25295  0.290187  1.72739      0.713466 2.77565      1.04945  0.82651      0.972882 1.57292  0.343103  0.965561 0.366036  
1 1 1 60 6  21 o 3.99966  0.110719  16.1465      0.885675 14.7753      1.21809  17.6846      1.29007  3.80691  0.159984  4.16744  0.15478   
1 1 1 60 6  22 o 0.765316 0.309119  0.354113     0.732344 -0.556999    1.05155  1.21225      1.02052  0.709243 0.325106  1.07384  0.379586  
1 1 1 60 6  23 o 1.28326  0.300526  1.84305      0.75854  2.59998      1.0474   1.00817      1.10001  1.50354  0.353808  1.02616  0.389156  
1 1 1 60 6  24 o 1.94325  0.206822  3.95232      0.803817 4.2195       1.18731  3.72625      1.09218  1.95826  0.303155  1.8441   0.296127  
1 1 1 60 6  25 o 1.31958  0.309683  2.01066      0.80414  2.04691      1.11663  1.9716       1.159    1.29025  0.395406  1.26514  0.405375  
1 1 1 60 6  26 o 1.3806   0.292798  2.18897      0.783913 1.80024      1.11714  2.56606      1.10029  1.2043   0.398469  1.44099  0.377336  
1 1 1 60 6  27 o 1.2877   0.315345  1.98662      0.806765 3.72407      1.13971  0.241689     1.14217  1.75912  0.335971  0.826991 0.362253  
1 1 1 60 6  28 o 0.755746 0.315451  0.392439     0.794643 0.571981     1.10167  0.197716     1.14731  0.864192 0.366582  0.807518 0.357665  
1 1 1 60 6  29 o 1.04939  0.336571  1.42272      0.798818 1.36037      1.10561  1.49081      1.15543  1.01594  0.388721  1.048    0.398429  
1 1 1 60 6  30 o 0.762655 0.32585   0.481405     0.881512 0.184049     1.20954  0.818265     1.28739  0.775706 0.353151  0.882991 0.385704  
1 1 1 60 6  31 o 0.61567  0.292539  -0.512772    0.976909 -2.87639     1.35813  2.02123      1.40623  0.544077 0.274036  1.07353  0.430519  
1 1 1 60 6  32 o 0.583856 0.27906   -0.426967    0.911627 -1.45076     1.21462  0.893713     1.37954  0.569615 0.282487  0.819339 0.374234  
1 1 1 60 6  33 o 0.559138 0.272649  -0.781084    0.99163  -1.32029     1.33544  -0.11838     1.4805   0.593913 0.294816  0.703617 0.340581  
1 1 1 60 7  0  o 8.80055  0.120637  77.6708      2.12245  77.6708      2.12245  77.6708      2.12245  8.80679  0.0852248 ?        ?         
1 1 1 60 7  1  o 7.89764  0.0834763 62.5101      1.31853  65.0903      1.78385  59.4028      1.95761  8.05212  0.110769  7.68747  0.127325  
1 1 1 60 7  2  o 3.29122  0.0919266 10.8613      0.605102 11.2926      0.841509 10.3994      0.870725 3.35197  0.125525  3.21534  0.135402  
1 1 1 60 7  3  o 7.14648  0.074234  51.1627      1.06102  51.8545      1.47137  50.4134      1.53146  7.18872  0.102338  7.08674  0.108051  
1 1 1 60 7  4  o 4.22872  0.0832364 17.9228      0.703967 16.7182      0.997206 19.1195      0.993923 4.07865  0.122247  4.36317  0.113899  
1 1 1 60 7  5  o 2.22692  0.121529  4.98393      0.541272 4.912        0.841001 5.03479      0.707214 2.20263  0.190909  2.23429  0.158264  
1 1 1 60 7  6  o 5.37682  0.0761323 28.9689      0.818699 29.8723      1.22612  28.242       1.09979  5.45341  0.112418  5.30427  0.10367   
1 1 1 60 7  7  f 1.37104  0.186767  1.90344      0.512131 1.04556      0.779923 2.55373      0.679037 1.01705  0.332941  1.58489  0.214222  
1 1 1 60 7  8  o 4.74072  0.0783606 22.524       0.742971 21.4549      1.07351  23.5068      1.02933  4.62067  0.116163  4.83849  0.106369  
1 1 1 60 7  9  o 2.84737  0.101639  8.13744      0.578807 8.41175      0.821267 7.86673      0.815873 2.88978  0.142098  2.79403  0.146003  
1 1 1 60 7  10 o 5.32972  0.0785129 28.4719      0.836903 26.7772      1.19618  30.097       1.17133  5.16155  0.115874  5.47421  0.106986  
1 1 1 60 7  11 o 3.93793  0.0871065 15.5539      0.686039 15.0324      0.960245 16.0976      0.980481 3.86536  0.124212  4.00028  0.122552  
1 1 1 60 7  12 o 3.48992  0.0934682 12.2223      0.652393 13.1064      0.920328 11.3294      0.924935 3.60837  0.127527  3.35297  0.137928  
1 1 1 60 7  13 o 2.52937  0.119494  6.43903      0.60449  5.18294      0.847599 7.7392       0.862346 2.25867  0.187632  2.76677  0.15584   
1 1 1 60 7  14 o 3.10424  0.107458  9.69204      0.667148 9.5179       0.9413   9.86782      0.945696 3.06715  0.153449  3.12351  0.151384  
1 1 1 60 7  15 o 3.22717  0.101796  10.4711      0.657029 10.7425      0.942187 10.2142      0.916695 3.25977  0.144517  3.17869  0.144194  
1 1 1 60 7  16 o 3.99457  0.104785  16.0567      0.837144 17.4277      1.14462  14.4799      1.22752  4.15208  0.137837  3.77674  0.162511  
1 1 1 60 7  17 o 2.08279  0.158742  4.4033       0.661252 3.27052      0.935224 5.53572      0.935078 1.77189  0.263905  2.32483  0.201106  
1 1 1 60 7  18 o 3.14516  0.118817  9.98097      0.747397 10.7704      1.06399  9.21198      1.0501   3.25402  0.163489  3.00581  0.174679  
1 1 1 60 7  19 o 1.46409  0.237457  2.2284       0.695316 2.8146       0.994135 1.66702      0.972859 1.59652  0.322632  1.22128  0.368041  
1 1 1 60 7  20 o 3.1315   0.124386  9.92053      0.779031 10.2285      1.11913  9.63102      1.08509  3.16115  0.177012  3.0675   0.17687   
1 1 1 60 7  21 o 1.46287  0.264374  2.31437      0.745147 4.11386      1.0769   0.661398     1.03212  1.97229  0.273007  0.93564  0.371065  
1 1 1 60 7  22 o 1.01654  0.320419  1.13438      0.726383 0.688363     1.02478  1.58474      1.02976  0.933653 0.369912  1.1823   0.382435  
1 1 1 60 7  23 o 1.76392  0.224289  3.26752      0.791255 1.77216      1.0714   5.06172      1.17358  1.23012  0.38931   2.17263  0.270082  
1 1 1 60 7  24 o 0.739624 0.310591  0.237797     0.777813 -0.133315    1.07574  0.644365     1.12596  0.768177 0.342792  0.928171 0.380223  
1 1 1 60 7  25 o 1.8128   0.231947  3.51029      0.840951 3.23288      1.21881  3.76236      1.16181  1.62892  0.380599  1.79651  0.335807  
1 1 1 60 7  26 f 2.9772   0.14508   9.13787      0.863864 9.82601      1.2099   8.42225      1.23383  3.04801  0.198473  2.8045   0.219973  
1 1 1 60 7  27 o 1.16169  0.330008  1.66453      0.802803 2.53415      1.15216  0.843913     1.11922  1.38151  0.396276  0.929759 0.379679  
1 1 1 60 7  28 o 1.94824  0.217475  4.14223      0.847385 4.47239      1.12697  3.71273      1.28536  1.96467  0.286808  1.67413  0.390651  
1 1 1 60 7  29 o 0.600488 0.280081  -0.383512    0.82358  -0.504104    1.14472  -0.254108    1.18581  0.684728 0.322038  0.725992 0.337633  
1 1 1 60 7  30 o 0.916859 0.349711  1.12039      0.892539 0.401104     1.21161  1.97387      1.31981  0.803503 0.361032  1.10004  0.423691  
1 1 1 60 7  31 o 0.738032 0.327311  0.467525     0.964999 0.028788     1.37947  0.887983     1.35043  0.742506 0.350467  0.843122 0.379863  
1 1 1 60 7  32 o 1.21946  0.362039  2.40369      0.946142 1.04282      1.27427  4.07575      1.41247  0.831949 0.372117  1.44322  0.445206  
1 1 1 60 7  33 o 0.585071 0.285409  -0.521764    1.09063  -1.9027      1.50593  1.00147      1.58161  0.568825 0.286867  0.763402 0.36552   
1 1 1 60 8  0  o 3.96157  0.123366  15.7796      0.975296 15.7796      0.975296 15.7796      0.975296 3.96695  0.0870176 ?        ?         
1 1 1 60 8  1  o 1.88282  0.1439    3.56975      0.541875 4.13626      0.77435  3.02612      0.758548 2.02118  0.191559  1.72542  0.219815  
1 1 1 60 8  2  o 3.17671  0.0949222 10.1224      0.60308  9.87677      0.840661 10.3829      0.865656 3.13305  0.13416   3.21224  0.134743  
1 1 1 60 8  3  o 4.89304  0.0778847 23.9921      0.762186 24.8427      1.10395  23.2173      1.0536   4.97357  0.110982  4.80838  0.109559  
1 1 1 60 8  4  f 2.81874  0.103266  7.97528      0.582158 6.60485      0.890131 8.99958      0.769558 2.55623  0.17411   2.99113  0.12864   
1 1 1 60 8  5  o 4.38311  0.0767384 19.2525      0.672705 19.3385      0.986691 19.1777      0.919552 4.3875   0.112443  4.37047  0.105201  
1 1 1 60 8  6  o 1.91033  0.138108  3.67441      0.527664 2.61145      0.769641 4.61721      0.724832 1.59931  0.240617  2.13767  0.169538  
1 1 1 60 8  7  o 2.66395  0.104267  7.12428      0.555525 7.16285      0.80274  7.08884      0.76957  2.66545  0.150583  2.65242  0.14507   
1 1 1 60 8  8  o 3.82822  0.0822352 14.6913      0.629629 13.7802      0.872633 15.6807      0.909361 3.70275  0.117836  3.9503   0.1151    
1 1 1 60 8  9  o 0.94088  0.261712  0.935838     0.510126 0.61682      0.706245 1.28384      0.737632 0.853507 0.314352  1.09878  0.317694  
1 1 1 60 8  10 o 5.02561  0.0845031 25.3282      0.849359 24.8985      1.29452  25.6531      1.12549  4.97312  0.130151  5.05245  0.111381  
1 1 1 60 8  11 o 0.957632 0.267578  0.971442     0.532068 1.27966      0.754475 0.666499     0.750458 1.09723  0.322615  0.881293 0.324095  
1 1 1 60 8  12 o 5.30718  0.0844255 28.2559      0.896123 29.6257      1.28473  26.958       1.25058  5.42594  0.118388  5.1752   0.120824  
1 1 1 60 8  13 f 1.10145  0.261633  1.30283      0.568566 1.81135      0.82372  0.840095     0.78577  1.28871  0.320528  0.941436 0.333048  
1 1 1 60 8  14 o 2.13151  0.142448  4.59065      0.607257 4.99509      0.856021 4.18092      0.861588 2.21379  0.193338  2.02125  0.213132  
1 1 1 60 8  15 o 2.27994  0.138186  5.2541       0.630113 6.04228      0.915084 4.54341      0.868934 2.43387  0.18799   2.1063   0.20627   
1 1 1 60 8  16 o 1.74537  0.181884  3.10559      0.63491  2.99381      0.914628 3.20956      0.882054 1.69431  0.269912  1.75927  0.250687  
1 1 1 60 8  17 o 1.49851  0.223453  2.31516      0.669695 1.77585      1.00981  2.73859      0.894773 1.26321  0.373815  1.59113  0.292085  
1 1 1 60 8  18 o 0.942088 0.302376  0.933526     0.644657 0.120687     0.900583 1.78771      0.923204 0.776768 0.330537  1.26427  0.352207  
1 1 1 60 8  19 o 1.90177  0.179998  3.70411      0.684628 3.88286      0.977925 3.53229      0.958779 1.92487  0.254023  1.83343  0.261471  
1 1 1 60 8  20 o 2.88216  0.139025  8.42936      0.801386 8.39094      1.11647  8.4702       1.15098  2.85531  0.195507  2.86655  0.200761  
1 1 1 60 8  21 o 0.754774 0.307268  0.318582     0.730741 1.15066      1.04014  -0.492338    1.02683  1.05901  0.382321  0.708946 0.323462  
1 1 1 60 8  22 o 1.08712  0.315959  1.32344      0.727748 0.921291     1.01926  1.74167      1.03942  0.98916  0.374754  1.22845  0.382517  
1 1 1 60 8  23 o 1.00336  0.330654  1.11828      0.769245 0.91346      1.04461  1.36092      1.137    0.978877 0.376957  1.10763  0.39974   
1 1 1 60 8  24 f 2.04507  0.192969  4.37309      0.789269 4.54203      1.07111  4.17237      1.1675   2.04742  0.261575  1.93816  0.301188  
1 1 1 60 8  25 o 2.76471  0.145901  7.86138      0.806745 8.81892      1.1232   6.84098      1.15948  2.89739  0.19383   2.52766  0.229359  
1 1 1 60 8  26 o 1.16846  0.321282  1.6431       0.773795 2.37789      1.06402  0.818238     1.12735  1.36866  0.376928  0.93727  0.38162   
1 1 1 60 8  27 o 1.3477   0.32343   2.23316      0.861974 2.0789       1.21318  2.39041      1.22493  1.22971  0.415245  1.3149   0.416285  
1 1 1 60 8  28 o 1.03741  0.34411   1.37781      0.833126 2.50947      1.11656  -0.0436105   1.25137  1.35079  0.390968  0.784319 0.357643  
1 1 1 60 8  29 o 0.62162  0.287179  -0.249351    0.839759 -0.359997    1.13747  -0.116795    1.245    0.69287  0.324819  0.748307 0.347219  
1 1 1 60 8  30 o 0.661842 0.301148  -0.0163328   0.876925 -1.29658     1.19537  1.47554      1.29039  0.605661 0.296139  0.988177 0.406296  
1 1 1 60 8  31 o 0.565005 0.271659  -0.58958     0.896782 1.42347      1.22986  -2.87512     1.31046  0.91257  0.387224  0.517008 0.261366  
1 1 1 60 8  32 o 1.06087  0.379639  1.99672      1.02361  1.00351      1.48324  2.89991      1.41442  0.831415 0.383171  1.15236  0.440032  
1 1 1 60 9  0  o 1.07129  0.405052  1.58222      0.810148 1.58222      0.810148 1.58222      0.810148 1.16031  0.285376  ?        ?         
1 1 1 60 9  1  o 4.72339  0.0786546 22.3603      0.743032 22.5877      1.00686  22.0882      1.10107  4.74297  0.106142  4.68809  0.117432  
1 1 1 60 9  2  o 1.21553  0.228077  1.5519       0.534021 0.534656     0.767355 2.50724      0.743642 0.847365 0.323953  1.5675   0.237206  
1 1 1 60 9  3  o 3.10943  0.0972229 9.70149      0.604616 9.14271      0.927024 10.1151      0.797607 3.01078  0.153951  3.17135  0.125752  
1 1 1 60 9  4  o 4.04547  0.0841626 16.4075      0.680954 16.4437      1.03891  16.3802      0.901643 4.04302  0.128482  4.03814  0.111641  
1 1 1 60 9  5  o 5.61427  0.0802666 31.5927      0.901276 31.2997      1.37463  31.8137      1.19364  5.57933  0.12319   5.62894  0.106027  
1 1 1 60 9  6  o 5.40545  0.0760229 29.2795      0.821876 28.6856      1.18373  29.8322      1.14201  5.34402  0.110753  5.45105  0.104751  
1 1 1 60 9  7  o 4.97249  0.077236  24.7806      0.76811  26.2368      1.10991  23.4422      1.06409  5.1109   0.108582  4.83074  0.110137  
1 1 1 60 9  8  o 5.53219  0.0770716 30.6758      0.852749 30.9896      1.19148  30.3463      1.221    5.5544   0.107256  5.49555  0.11109   
1 1 1 60 9  9  o 0.630071 0.25843   0.150261     0.520803 0.515016     0.734738 -0.218067    0.738328 0.82926  0.317004  0.646646 0.286602  
1 1 1 60 9  10 o 3.50235  0.0917626 12.3081      0.642769 12.895       0.922032 11.7531      0.89653  3.57888  0.128816  3.41632  0.131213  
1 1 1 60 9  11 o 0.474374 0.222038  -0.49554     0.523889 -0.620665    0.738538 -0.368807    0.743268 0.572964 0.266461  0.618348 0.280027  
1 1 1 60 9  12 o 3.40513  0.0955055 11.6476      0.650417 10.2089      0.90273  13.2008      0.937936 3.17929  0.14197   3.61825  0.129612  
1 1 1 60 9  13 o 1.46438  0.203864  2.18979      0.597068 1.84095      0.876193 2.49221      0.815801 1.29595  0.335506  1.52758  0.277239  
1 1 1 60 9  14 o 3.29966  0.105612  10.955       0.696969 10.4107      0.988114 11.494       0.98323  3.20546  0.15413   3.37039  0.145863  
1 1 1 60 9  15 o 1.12575  0.272984  1.37276      0.609159 2.03785      0.888577 0.78303      0.836721 1.3593   0.329753  0.931033 0.342232  
1 1 1 60 9  16 o 2.36188  0.138323  5.64371      0.653403 4.56433      0.934755 6.67504      0.913708 2.10472  0.222062  2.55862  0.178555  
1 1 1 60 9  17 o 3.81942  0.100774  14.6849      0.7698   14.9135      1.07605  14.4453      1.10173  3.83707  0.140217  3.77436  0.145949  
1 1 1 60 9  18 o 2.4528   0.145425  6.10841      0.713397 6.2807       1.04508  5.95807      0.976225 2.46646  0.211859  2.4054   0.202924  
1 1 1 60 9  19 o 0.53994  0.252595  -0.586865    0.67622  -0.0643919   0.9519   -1.11916     0.960803 0.755546 0.330833  0.60172  0.287332  
1 1 1 60 9  20 o 0.719232 0.30002   0.192226     0.718103 2.02616      1.0227   -1.59128     1.00855  1.33006  0.370755  0.57152  0.277878  
1 1 1 60 9  21 o 1.13641  0.308742  1.44761      0.719862 1.62069      1.0049   1.26517      1.03171  1.1924   0.377001  1.08669  0.381909  
1 1 1 60 9  22 o 0.653438 0.287042  -0.0680054   0.721319 0.43882      0.998151 -0.621997    1.04356  0.862065 0.356282  0.690627 0.31947   
1 1 1 60 9  23 f 0.740617 0.311053  0.238217     0.780315 0.565182     1.03503  -0.192345    1.18773  0.889994 0.364559  0.794197 0.35712   
1 1 1 60 9  24 o 0.721389 0.304065  0.216402     0.750084 0.427682     1.07289  0.0143977    1.04907  0.864343 0.363955  0.780226 0.344248  
1 1 1 60 9  25 o 0.972966 0.321794  1.08963      0.728571 0.00952727   0.966704 2.50984      1.1085   0.745225 0.329417  1.41409  0.382651  
1 1 1 60 9  26 o 1.61051  0.252114  2.87483      0.812062 2.13141      1.09726  3.77511      1.20749  1.27268  0.392358  1.74245  0.358772  
1 1 1 60 9  27 o 2.53881  0.170182  6.80209      0.864119 5.50074      1.15926  8.42929      1.29629  2.20492  0.26288   2.76228  0.234641  
1 1 1 60 9  28 o 0.664404 0.297937  -0.00646657  0.821505 0.224388     1.15021  -0.246854    1.17372  0.788689 0.353133  0.727798 0.337484  
1 1 1 60 9  29 o 0.645625 0.29684   -0.158288    0.884013 -0.213307    1.17714  -0.0871233   1.33877  0.714975 0.334009  0.763556 0.356509  
1 1 1 60 9  30 f 0.814854 0.338355  0.80541      0.906866 2.24196      1.25766  -0.750554    1.30888  1.13112  0.418976  0.668493 0.322999  
1 1 1 60 9  31 o 0.582463 0.27909   -0.4593      0.926345 -0.887509    1.30988  -0.0308701   1.31022  0.629342 0.30825   0.704092 0.336055  
1 1 1 60 9  32 f 0.817786 0.361891  1.10768      1.17106  0.790579     1.71409  1.38524      1.60367  0.789417 0.378588  0.844848 0.392806  
1 1 1 60 10 0  o 1.01846  0.413917  1.47776      0.823067 1.47776      0.823067 1.47776      0.823067 1.1018   0.305703  ?        ?         
1 1 1 60 10 1  o 5.80338  0.0773786 33.7514      0.898115 33.6148      1.28266  33.8829      1.25796  5.78499  0.110861  5.8086   0.108284  
1 1 1 60 10 2  f 3.64511  0.0894467 13.3248      0.652086 12.2468      0.936539 14.3392      0.908479 3.48821  0.134244  3.77686  0.120269  
1 1 1 60 10 3  o 3.93923  0.0870474 15.5595      0.6858   14.5487      1.07366  16.2562      0.891326 3.80061  0.141248  4.023    0.110779  
1 1 1 60 10 4  o 0.813392 0.272533  0.643517     0.522585 0.820081     0.796182 0.509878     0.692675 0.944012 0.335118  0.815292 0.30892   
1 1 1 60 10 5  o 5.98537  0.076432  35.9027      0.914948 34.7161      1.30697  37.0431      1.28128  5.87842  0.111166  6.07365  0.105479  
1 1 1 60 10 6  o 4.03892  0.0813448 16.3544      0.65709  16.4946      0.962923 16.2322      0.898907 4.05033  0.11887   4.01923  0.111826  
1 1 1 60 10 7  o 1.3453   0.196335  1.83743      0.528258 2.42139      0.765726 1.30711      0.729715 1.5373   0.249049  1.10645  0.314726  
1 1 1 60 10 8  o 4.28652  0.083276  18.4252      0.713928 18.6377      1.05584  18.2462      0.969029 4.30412  0.122655  4.26048  0.113723  
1 1 1 60 10 9  o 3.1244   0.100517  9.80225      0.628108 9.16173      0.881919 10.4616      0.894777 3.01351  0.146328  3.2216   0.138872  
1 1 1 60 10 10 o 3.76623  0.095897  14.2443      0.722341 14.4065      1.02233  14.0825      1.02077  3.77979  0.135236  3.73673  0.136585  
1 1 1 60 10 11 o 3.00548  0.104189  9.08189      0.626274 8.39118      0.903674 9.72022      0.86873  2.8792   0.156931  3.10267  0.139997  
1 1 1 60 10 12 o 0.76313  0.28021   0.498778     0.560794 0.223746     0.802153 0.761712     0.784314 0.770133 0.318906  0.915681 0.331851  
1 1 1 60 10 13 o 3.35433  0.102274  11.3161      0.68612  10.3249      0.973876 12.2931      0.966802 3.19283  0.15251   3.48773  0.138601  
1 1 1 60 10 14 o 4.12566  0.0952736 17.1106      0.786133 17.4347      1.13381  16.8105      1.09095  4.15307  0.136503  4.07893  0.13373   
1 1 1 60 10 15 o 0.910516 0.294927  0.857786     0.612269 0.391238     0.883764 1.28839      0.849037 0.835776 0.338751  1.09508  0.346564  
1 1 1 60 10 16 o 3.63075  0.107528  13.2801      0.780814 14.874       1.08304  11.5549      1.12673  3.83203  0.141314  3.36895  0.167223  
1 1 1 60 10 17 o 1.59312  0.205204  2.61284      0.65383  2.82109      0.92639  2.40615      0.922931 1.60832  0.299175  1.47336  0.322077  
1 1 1 60 10 18 o 0.55007  0.252937  -0.42569     0.642073 -0.0390558   0.920119 -0.792649    0.896401 0.748506 0.326526  0.61466  0.288189  
1 1 1 60 10 19 o 2.53279  0.148765  6.52397      0.753584 7.61469      1.13164  5.65488      1.01014  2.71454  0.20844   2.33643  0.216172  
1 1 1 60 10 20 o 0.885408 0.315139  0.774427     0.704494 -0.248728    0.99044  1.82218      1.00228  0.732298 0.327792  1.25871  0.372397  
1 1 1 60 10 21 o 0.575907 0.26565   -0.468799    0.714972 0.000948152  0.987723 -0.985855    1.03627  0.773322 0.337821  0.64348  0.303736  
1 1 1 60 10 22 o 0.775228 0.315945  0.376578     0.773459 0.460363     1.01826  0.262305     1.18919  0.866748 0.359133  0.873333 0.37596   
1 1 1 60 10 23 o 0.649738 0.29124   -0.186571    0.784269 -1.43078     1.06424  1.29214      1.16021  0.597345 0.289075  1.08033  0.401967  
1 1 1 60 10 24 o 1.75007  0.214778  3.25141      0.751755 2.50479      1.01476  4.1596       1.11918  1.44078  0.35418   1.9338   0.289374  
1 1 1 60 10 25 o 1.0568   0.325668  1.33666      0.756063 0.699787     0.992409 2.21762      1.1672   0.887739 0.359316  1.3029   0.405276  
1 1 1 60 10 26 o 2.35614  0.175864  5.8662       0.82872  5.62852      1.07954  6.20724      1.29314  2.25715  0.239139  2.33266  0.277181  
1 1 1 60 10 27 o 1.89171  0.220588  3.9285       0.834575 2.97299      1.09612  5.24649      1.28735  1.50851  0.366425  2.10041  0.306452  
1 1 1 60 10 28 o 0.75753  0.318694  0.479167     0.821427 -0.432459    1.13174  1.49403      1.19411  0.685113 0.321689  1.02223  0.401081  
1 1 1 60 10 29 o 0.857086 0.344857  0.899648     0.906544 0.47716      1.16478  1.54876      1.44377  0.805413 0.358126  1.00379  0.422415  
1 1 1 60 10 30 o 0.629775 0.296339  -0.239353    0.971637 -0.757567    1.42011  0.216758     1.3323   0.673762 0.328135  0.751087 0.352008  
1 1 1 60 10 31 o 0.766214 0.338327  0.692561     1.01596  2.8226       1.43767  -1.43225     1.4359   1.13305  0.441     0.616715 0.306076  
1 1 1 60 10 32 o 0.576519 0.283997  -0.768344    1.17686  -2.01758     1.76309  0.235553     1.58051  0.59282  0.299801  0.69298  0.339227  
1 1 1 60 11 0  o 2.02246  0.205826  4.24685      0.812789 4.24685      0.812789 4.24685      0.812789 2.04228  0.142294  ?        ?         
1 1 1 60 11 1  o 6.85758  0.0768612 47.1302      1.05416  47.3856      1.45667  46.8494      1.52747  6.86921  0.106029  6.82862  0.111843  
1 1 1 60 11 2  o 3.38854  0.0911348 11.5182      0.617628 11.8481      0.898304 11.2224      0.850565 3.43099  0.13091   3.33973  0.12734   
1 1 1 60 11 3  o 1.33439  0.183854  1.80362      0.490666 2.05307      0.685309 1.54125      0.702836 1.39492  0.255135  1.19834  0.294872  
1 1 1 60 11 4  o 4.1121   0.0812023 16.9529      0.667823 16.4342      0.96028  17.4387      0.929368 4.04279  0.118765  4.16585  0.111546  
1 1 1 60 11 5  o 0.771331 0.267362  0.556749     0.50416  0.23343      0.749648 0.823746     0.681231 0.755992 0.310061  0.918215 0.311163  
1 1 1 60 11 6  o 2.39293  0.115377  5.75655      0.552177 5.81607      0.800247 5.70246      0.762884 2.39829  0.166837  2.37572  0.160558  
1 1 1 60 11 7  o 7.8441   0.0847053 61.7077      1.32887  60.4821      1.97239  62.7264      1.79828  7.75154  0.127226  7.8992   0.113827  
1 1 1 60 11 8  o 5.9953   0.0822239 36.0478      0.985914 35.8148      1.50155  36.2244      1.30716  5.96419  0.125881  6.00334  0.108869  
1 1 1 60 11 9  o 0.529617 0.237845  -0.227424    0.525238 -0.272004    0.760046 -0.186673    0.726675 0.64414  0.287769  0.645535 0.285446  
1 1 1 60 11 10 o 1.84464  0.155609  3.44397      0.574084 2.93255      0.839602 3.89301      0.786729 1.68661  0.248903  1.95341  0.201373  
1 1 1 60 11 11 o 4.2809   0.088895  18.4         0.761101 16.0906      1.04746  20.983       1.10779  3.9938   0.131136  4.56358  0.121373  
1 1 1 60 11 12 o 2.65634  0.118416  7.11045      0.629103 6.85899      0.878292 7.37539      0.901536 2.5986   0.168994  2.69507  0.167257  
1 1 1 60 11 13 o 4.17121  0.0949412 17.4896      0.792039 16.3036      1.15903  18.5287      1.08487  4.01359  0.144388  4.28464  0.1266    
1 1 1 60 11 14 o 3.63466  0.0997356 13.2896      0.72501  13.9241      1.02644  12.6579      1.02421  3.71018  0.138327  3.53553  0.144845  
1 1 1 60 11 15 o 4.11609  0.0934454 17.0358      0.76926  17.1771      1.10846  16.9045      1.06844  4.12079  0.134496  4.08928  0.130639  
1 1 1 60 11 16 o 1.39222  0.231796  2.00932      0.645419 1.80212      0.932493 2.19986      0.894229 1.26815  0.354199  1.40843  0.323999  
1 1 1 60 11 17 o 2.77278  0.126626  7.7803       0.70221  8.19774      1.03262  7.42119      0.957755 2.82833  0.182549  2.69269  0.177843  
1 1 1 60 11 18 o 0.804059 0.302757  0.549832     0.662057 0.0153024    0.952357 1.04975      0.921011 0.770509 0.334123  1.01724  0.360501  
1 1 1 60 11 19 o 1.033    0.309094  1.17381      0.687826 1.71033      0.970682 0.63273      0.974796 1.22639  0.367237  0.911105 0.360841  
1 1 1 60 11 20 o 0.676605 0.290971  0.0420221    0.710944 -0.283815    1.06743  0.301804     0.953109 0.7539   0.3388    0.824273 0.344856  
1 1 1 60 11 21 o 1.95875  0.20107   3.99645      0.78769  4.90316      1.05114  2.83514      1.18959  2.14948  0.244509  1.5422   0.386172  
1 1 1 60 11 22 f 0.791781 0.321308  0.426302     0.796434 -1.21218     1.07842  2.39211      1.18124  0.626695 0.300488  1.39322  0.401772  
1 1 1 60 11 23 o 2.36592  0.168928  5.79999      0.79934  5.25867      1.1389   6.32552      1.12216  2.20143  0.258672  2.43417  0.230502  
1 1 1 60 11 24 o 1.56354  0.241179  2.65071      0.754189 2.68972      0.988781 2.59645      1.16621  1.49867  0.337941  1.42943  0.395033  
1 1 1 60 11 25 o 3.09353  0.141394  9.89396      0.874813 11.9439      1.16484  7.24191      1.3249   3.37127  0.172759  2.54825  0.259963  
1 1 1 60 11 26 o 0.861397 0.325129  0.807558     0.764801 0.162164     0.995306 1.73802      1.19507  0.761878 0.33584   1.13593  0.409834  
1 1 1 60 11 27 o 1.14593  0.330129  1.70115      0.797919 1.44101      1.08423  2.00849      1.17851  1.03227  0.387687  1.17398  0.408596  
1 1 1 60 11 28 o 0.798348 0.323433  0.689539     0.805132 -0.0533986   1.09369  1.56851      1.18961  0.717856 0.330101  1.02498  0.400698  
1 1 1 60 11 29 o 0.984241 0.371306  1.44123      0.997048 3.65796      1.46679  -0.46279     1.3594   1.4427   0.455409  0.714462 0.341314  
1 1 1 60 11 30 o 0.597793 0.289401  -0.686013    1.07049  -1.3291      1.58624  -0.148188    1.45063  0.652377 0.323358  0.71797  0.34528   
1 1 1 60 11 31 o 1.08642  0.391492  2.21111      1.0902   2.92048      1.61704  1.61998      1.47614  1.07876  0.450118  0.899763 0.401529  
1 1 1 60 12 0  o 2.83377  0.140959  8.12096      0.794381 8.12096      0.794381 8.12096      0.794381 2.84181  0.0991034 ?        ?         
1 1 1 60 12 1  o 1.60763  0.175598  2.61605      0.564591 2.16775      0.74424  3.22382      0.866549 1.43003  0.270076  1.77461  0.244153  
1 1 1 60 12 2  o 7.36663  0.0786021 54.4005      1.15806  53.6979      1.68378  55.0312      1.5953   7.30858  0.115192  7.40119  0.107773  
1 1 1 60 12 3  o 2.43017  0.112489  5.9355       0.546735 5.7259       0.752269 6.17015      0.795983 2.38101  0.157973  2.47117  0.161054  
1 1 1 60 12 4  o 8.70801  0.0842415 76.0451      1.46715  79.4041      2.20011  73.3551      1.96884  8.88344  0.123832  8.54189  0.115246  
1 1 1 60 12 5  o 3.46369  0.0885284 12.0351      0.61327  12.8121      0.815165 11.0217      0.930904 3.56993  0.114171  3.30657  0.140766  
1 1 1 60 12 6  f 3.19052  0.091042  10.2151      0.580943 9.83278      0.804878 10.6308      0.839361 3.12471  0.128793  3.24897  0.129173  
1 1 1 60 12 7  o 1.28612  0.203989  1.68553      0.524707 1.88191      0.767776 1.51344      0.718743 1.32073  0.297768  1.18332  0.302508  
1 1 1 60 12 8  o 3.28074  0.0924291 10.8089      0.606472 10.8123      0.865903 10.8057      0.849688 3.27412  0.132234  3.27364  0.129777  
1 1 1 60 12 9  o 1.34904  0.195688  1.85502      0.527982 2.4043       0.742527 1.29328      0.750903 1.52808  0.242961  1.09701  0.321628  
1 1 1 60 12 10 o 0.608272 0.258283  0.0383739    0.547801 -0.367425    0.784146 0.425204     0.7656   0.636481 0.287963  0.8089   0.319968  
1 1 1 60 12 11 o 2.14572  0.134633  4.65031      0.57777  4.32705      0.813826 4.97882      0.820394 2.05791  0.197731  2.21027  0.185587  
1 1 1 60 12 12 o 3.57185  0.0990202 12.8305      0.707371 13.4289      0.989082 12.2039      1.01206  3.64514  0.135671  3.47209  0.145742  
1 1 1 60 12 13 o 0.542758 0.246059  -0.290238    0.575407 -1.03303     0.830179 0.396531     0.798256 0.55708  0.266272  0.808977 0.32439   
1 1 1 60 12 14 o 3.32451  0.105891  11.1302      0.704073 12.0893      1.02187  10.2633      0.971462 3.45307  0.147965  3.18019  0.152736  
1 1 1 60 12 15 o 1.32091  0.244949  1.86658      0.622832 2.32493      0.928721 1.49194      0.839636 1.44764  0.328266  1.16233  0.339883  
1 1 1 60 12 16 o 1.54248  0.206349  2.45433      0.636578 2.98977      0.939861 2.0005       0.865272 1.68131  0.279503  1.33788  0.325926  
1 1 1 60 12 17 o 1.57479  0.207689  2.561        0.654135 3.00783      0.950038 2.15822      0.902003 1.6587   0.297135  1.38771  0.32948   
1 1 1 60 12 18 o 2.07859  0.166954  4.41508      0.694057 4.50464      1.00593  4.3337       0.95885  2.07507  0.242385  2.03793  0.235251  
1 1 1 60 12 19 o 1.51657  0.23274   2.40928      0.705934 2.67773      1.03171  2.17296      0.968014 1.53298  0.344868  1.37626  0.350616  
1 1 1 60 12 20 o 2.01711  0.195828  4.21909      0.790013 4.07271      1.10256  4.37355      1.13254  1.94441  0.28352   2.0163   0.280847  
1 1 1 60 12 21 o 1.05533  0.340722  1.2672       0.817655 1.19655      1.11635  1.34897      1.20096  1.05877  0.394225  1.10628  0.409495  
1 1 1 60 12 22 o 0.98481  0.327145  1.09045      0.753006 0.728944     1.07729  1.43581      1.05295  0.931794 0.375512  1.11004  0.386228  
1 1 1 60 12 23 o 1.94457  0.197111  3.97921      0.766594 2.89343      1.01175  5.44274      1.17464  1.56575  0.33306   2.23071  0.26329   
1 1 1 60 12 24 o 1.11212  0.323069  1.48686      0.76105  1.10983      0.988389 2.03593      1.19276  0.990528 0.370521  1.24708  0.411736  
1 1 1 60 12 25 o 2.82891  0.151373  8.33869      0.856438 8.80271      1.13457  7.72408      1.30576  2.86591  0.197943  2.63506  0.247767  
1 1 1 60 12 26 o 1.2572   0.306534  1.93501      0.764865 1.9646       1.01404  1.89595      1.16496  1.21078  0.377979  1.17021  0.406339  
1 1 1 60 12 27 o 1.56611  0.257618  2.85749      0.80692  3.19828      1.06492  2.39802      1.23652  1.54888  0.351714  1.24761  0.419221  
1 1 1 60 12 28 o 0.97836  0.353767  1.33576      0.890892 2.73353      1.30638  0.120551     1.21807  1.28844  0.430899  0.76457  0.350231  
1 1 1 60 12 29 o 0.625471 0.295863  -0.328667    0.989263 0.267271     1.47985  -0.81014     1.33015  0.778651 0.366196  0.655803 0.31894   
1 1 1 60 12 30 o 1.0463   0.387864  2.00931      1.07824  3.58489      1.50919  0.366598     1.54101  1.26535  0.460158  0.766727 0.365593  
1 1 1 60 12 31 o 0.691221 0.32282   0.389533     1.09861  -0.728836    1.65735  1.26612      1.4673   0.658355 0.327027  0.806352 0.375226  
1 1 1 60 13 0  o 2.46492  0.164717  6.18944      0.80371  6.18944      0.80371  6.18944      0.80371  2.47652  0.115309  ?        ?         
1 1 1 60 13 1  o 1.2698   0.236252  1.69866      0.57758  0.366146     0.798653 3.15973      0.836289 0.809179 0.324471  1.75736  0.23794   
1 1 1 60 13 2  o 2.59453  0.107115  6.76313      0.555826 7.0205       0.785339 6.50482      0.786775 2.63757  0.148876  2.53788  0.155006  
1 1 1 60 13 3  o 2.7214   0.100063  7.43718      0.544622 7.57547      0.742386 7.27601      0.801422 2.74172  0.135387  2.68476  0.149254  
1 1 1 60 13 4  o 3.50825  0.085879  12.3476      0.60257  12.6335      0.832468 12.0329      0.873323 3.54362  0.11746   3.45672  0.126322  
1 1 1 60 13 5  o 5.18705  0.0755468 26.9766      0.783731 27.7025      1.1064   26.2455      1.11033  5.24985  0.105375  5.10911  0.108662  
1 1 1 60 13 6  o 0.711865 0.259234  0.436457     0.479121 0.118473     0.667374 0.774663     0.688269 0.687891 0.288228  0.897869 0.312276  
1 1 1 60 13 7  o 1.12461  0.221951  1.33796      0.481444 1.47018      0.656566 1.18417      0.708077 1.16673  0.283712  1.05329  0.313297  
1 1 1 60 13 8  o 2.66753  0.110092  7.15949      0.587345 7.39211      0.849026 6.94598      0.813382 2.70196  0.157113  2.61954  0.155253  
1 1 1 60 13 9  o 1.18801  0.229457  1.49586      0.525739 2.07343      0.725323 0.856508     0.76313  1.3919   0.270195  0.940251 0.328648  
1 1 1 60 13 10 o 3.91762  0.0955574 15.4267      0.748716 14.5411      1.1223   16.1369      1.00506  3.78985  0.148067  3.99925  0.125656  
1 1 1 60 13 11 o 1.09152  0.255851  1.28346      0.549392 1.1717       0.78275  1.39197      0.771292 1.04994  0.332809  1.12993  0.324265  
1 1 1 60 13 12 o 4.746    0.0894598 22.6327      0.849153 22.7697      1.16626  22.4781      1.23878  4.75026  0.122758  4.71668  0.131319  
1 1 1 60 13 13 o 0.563029 0.251134  -0.197802    0.576798 -0.487643    0.8441   0.0560861    0.790015 0.640636 0.292662  0.720996 0.308277  
1 1 1 60 13 14 o 4.11526  0.0936622 17.0344      0.77089  16.4695      1.08875  17.6023      1.09166  4.0338   0.134954  4.17173  0.13084   
1 1 1 60 13 15 o 1.95422  0.165531  3.8953       0.646968 4.38065      0.953521 3.48124      0.880712 2.05315  0.232209  1.82764  0.240942  
1 1 1 60 13 16 o 1.42473  0.22564   2.10783      0.642951 3.00423      0.938799 1.31597      0.882362 1.68462  0.278638  1.09784  0.353897  
1 1 1 60 13 17 o 1.08473  0.295061  1.298        0.656987 0.952932     0.960928 1.60088      0.900275 0.995805 0.366686  1.19414  0.352827  
1 1 1 60 13 18 o 1.06099  0.306428  1.25169      0.686617 0.368894     0.978413 2.1083       0.963798 0.84788  0.35172   1.35555  0.35232   
1 1 1 60 13 19 o 1.34695  0.28166   2.00625      0.734177 1.94235      1.0198   2.075        1.05781  1.29274  0.373475  1.33272  0.378881  
1 1 1 60 13 20 o 2.89028  0.140787  8.53061      0.813828 8.40054      1.12149  8.67529      1.18281  2.83989  0.197454  2.88133  0.205254  
1 1 1 60 13 21 o 1.83144  0.222804  3.55464      0.816104 3.7871       1.1993   3.35416      1.11373  1.80199  0.345079  1.69687  0.340169  
1 1 1 60 13 22 o 2.65615  0.151919  7.26473      0.807036 7.26336      1.10694  7.26629      1.17912  2.62059  0.2112    2.61097  0.225801  
1 1 1 60 13 23 o 1.36744  0.283932  2.14819      0.750596 2.77312      0.969091 1.21117      1.18666  1.52876  0.326529  1.04178  0.401647  
1 1 1 60 13 24 o 1.10135  0.31896   1.47307      0.742927 2.5612       0.96374  -0.120613    1.16632  1.44122  0.339538  0.770201 0.349611  
1 1 1 60 13 25 o 1.88218  0.211075  3.84285      0.794564 3.90048      1.04474  3.76377      1.22374  1.83959  0.283959  1.71458  0.367488  
1 1 1 60 13 26 o 0.861628 0.324855  0.860174     0.762807 1.8698       1.04031  -0.313901    1.12184  1.15631  0.384524  0.707988 0.328929  
1 1 1 60 13 27 o 1.05458  0.348753  1.54736      0.855762 2.33357      1.20758  0.754202     1.2129   1.21721  0.414285  0.864708 0.37605   
1 1 1 60 13 28 o 0.706001 0.318972  0.137879     0.958811 -0.201295    1.40647  0.432362     1.31054  0.753389 0.355098  0.81364  0.369665  
1 1 1 60 13 29 o 0.69588  0.31982   0.205544     1.02507  -0.683483    1.51055  0.964397     1.39559  0.686071 0.334897  0.837263 0.380684  
1 1 1 60 13 30 o 0.590586 0.284969  -0.57164     1.00865  0.323276     1.47315  -1.36143     1.38392  0.757093 0.359499  0.609489 0.302083  
1 1 1 60 14 0  o 1.77934  0.234388  3.36546      0.801781 3.36546      0.801781 3.36546      0.801781 1.80856  0.159598  ?        ?         
1 1 1 60 14 1  o 1.99096  0.143162  4.00221      0.570062 4.34989      0.805729 3.65374      0.806652 2.06728  0.194877  1.89138  0.213244  
1 1 1 60 14 2  o 2.00909  0.133563  4.07102      0.53668  3.38904      0.727208 4.88673      0.795318 1.82369  0.199378  2.19344  0.181295  
1 1 1 60 14 3  o 2.20691  0.121877  4.90635      0.537944 5.0129       0.736129 4.78423      0.78806  2.22402  0.165495  2.16976  0.1816    
1 1 1 60 14 4  o 1.43748  0.170958  2.09646      0.491495 1.75341      0.665018 2.50942      0.729625 1.27897  0.268531  1.56315  0.233382  
1 1 1 60 14 5  o 3.60761  0.0839525 13.061       0.605737 13.2074      0.856936 12.9148      0.856346 3.62153  0.118312  3.58092  0.119571  
1 1 1 60 14 6  o 3.3812   0.0865058 11.4759      0.584987 12.2255      0.824005 10.7143      0.830629 3.48416  0.11825   3.25988  0.127402  
1 1 1 60 14 7  o 1.76944  0.143129  3.1643       0.506516 2.44393      0.689875 4.00679      0.746064 1.54332  0.223503  1.98348  0.18807   
1 1 1 60 14 8  o 1.93417  0.132939  3.77713      0.514254 4.36873      0.685636 3.01632      0.777533 2.07468  0.165239  1.71273  0.226987  
1 1 1 60 14 9  f 0.939445 0.257061  0.945809     0.496843 0.625578     0.643634 1.418        0.781566 0.831394 0.300687  1.14021  0.32616   
1 1 1 60 14 10 o 2.54482  0.124802  6.5351       0.635196 6.41583      0.929178 6.63974      0.870313 2.50787  0.185253  2.55515  0.170305  
1 1 1 60 14 11 o 3.10041  0.1034    9.67462      0.641163 10.0336      0.918388 9.33332      0.895527 3.14732  0.1459    3.03508  0.14753   
1 1 1 60 14 12 o 3.06128  0.102658  9.43359      0.628532 9.6377       0.885365 9.22621      0.892434 3.08434  0.143526  3.01656  0.147922  
1 1 1 60 14 13 o 0.613686 0.262235  0.0260384    0.571049 -0.114832    0.825646 0.155223     0.790659 0.698897 0.307055  0.74293  0.312616  
1 1 1 60 14 14 o 2.41691  0.13331   5.91662      0.644398 5.58464      0.928728 6.22482      0.89485  2.33001  0.199297  2.46583  0.18145   
1 1 1 60 14 15 o 1.48734  0.210273  2.2858       0.625496 1.46027      0.896796 3.06785      0.872859 1.1469   0.354939  1.71014  0.255201  
1 1 1 60 14 16 o 2.34704  0.146726  5.59949      0.688742 4.77922      0.988023 6.37488      0.960611 2.14287  0.230537  2.48954  0.19293   
1 1 1 60 14 17 o 0.55334  0.257517  -0.543667    0.691335 -0.150613    0.951735 -0.982736    1.0059   0.736056 0.325918  0.634244 0.29934   
1 1 1 60 14 18 o 1.31628  0.282862  1.91635      0.723249 1.74608      1.03397  2.07949      1.01204  1.23151  0.381119  1.3401   0.366965  
1 1 1 60 14 19 o 1.45062  0.269201  2.31752      0.751743 1.90042      1.06944  2.72492      1.05692  1.26741  0.386669  1.53172  0.352161  
1 1 1 60 14 20 o 2.13196  0.183009  4.72191      0.780333 5.12847      1.0592   4.23932      1.154    2.19147  0.241663  1.96277  0.293973  
1 1 1 60 14 21 o 0.675745 0.295029  0.00958002   0.752457 0.903222     1.05559  -0.913577    1.07289  0.967233 0.377591  0.655219 0.309212  
1 1 1 60 14 22 o 2.2638   0.175023  5.34183      0.792432 4.57699      1.08072  6.23123      1.1654   2.04264  0.264539  2.40015  0.242777  
1 1 1 60 14 23 o 0.582854 0.269587  -0.415565    0.74285  -0.381858    0.94812  -0.469151    1.19546  0.668521 0.307387  0.736883 0.341274  
1 1 1 60 14 24 o 1.88496  0.204728  3.82751      0.771806 3.29405      1.00022  4.61261      1.21341  1.65621  0.313364  1.98384  0.305822  
1 1 1 60 14 25 o 1.30821  0.317287  2.12004      0.822809 1.81514      1.12249  2.47413      1.20965  1.15052  0.398926  1.32423  0.412713  
1 1 1 60 14 26 o 1.13194  0.34856   1.7447       0.866309 1.50364      1.25653  1.96309      1.196    1.0261   0.40864   1.1397   0.410113  
1 1 1 60 14 27 f 1.72985  0.255196  3.53272      0.882905 5.21733      1.31405  2.14635      1.19207  2.00707  0.327356  1.16204  0.410303  
1 1 1 60 14 28 o 0.787309 0.342054  0.701675     1.00166  0.833216     1.50851  0.597941     1.33962  0.848495 0.389126  0.806585 0.368563  
1 1 1 60 14 29 o 1.02363  0.373277  1.84537      0.99369  0.571896     1.48658  2.87396      1.33603  0.780353 0.367006  1.17033  0.432167  
1 1 1 60 14 30 o 0.711071 0.328403  0.452855     1.09707  -0.0045355   1.64774  0.817061     1.47034  0.716251 0.349656  0.775537 0.364815  
1 1 1 60 15 0  o 2.24429  0.181526  5.17556      0.80253  5.17556      0.80253  5.17556      0.80253  2.25998  0.126454  ?        ?         
1 1 1 60 15 1  o 3.94072  0.0871621 15.5888      0.686964 15.5427      0.993196 15.631       0.951191 3.92667  0.126468  3.9392   0.120734  
1 1 1 60 15 2  o 0.728681 0.275397  0.414816     0.549329 -0.115112    0.705997 1.22792      0.874514 0.650028 0.28477   1.08393  0.352553  
1 1 1 60 15 3  o 1.22376  0.227914  1.58308      0.537021 1.13991      0.712203 2.16709      0.817578 1.0358   0.315454  1.416    0.298072  
1 1 1 60 15 4  o 5.65127  0.0751454 32.0291      0.849334 32.3848      1.17413  31.6388      1.23011  5.67522  0.103443  5.60757  0.109683  
1 1 1 60 15 5  o 1.73786  0.146783  3.05442      0.510177 3.30778      0.710346 2.78449      0.733196 1.80034  0.197281  1.64729  0.222546  
1 1 1 60 15 6  o 4.39582  0.0780197 19.3874      0.685922 20.185       0.974929 18.6056      0.965224 4.47828  0.108851  4.29862  0.112271  
1 1 1 60 15 7  o 1.31806  0.18913   1.77257      0.498571 1.6892       0.67744  1.87109      0.736418 1.24941  0.278325  1.31334  0.288213  
1 1 1 60 15 8  o 2.28922  0.11608   5.2814       0.531464 4.888        0.701609 5.81104      0.814077 2.19467  0.159844  2.39059  0.170267  
1 1 1 60 15 9  o 1.03351  0.244331  1.1481       0.497696 1.39107      0.657438 0.821942     0.761715 1.13042  0.289518  0.925653 0.327866  
1 1 1 60 15 10 o 2.87737  0.0979636 8.32777      0.563756 8.48516      0.767059 8.14288      0.831359 2.89737  0.132372  2.8349   0.146629  
1 1 1 60 15 11 o 2.27927  0.14192   5.26156      0.646948 5.75594      0.870393 4.65126      0.967068 2.37371  0.18334   2.12164  0.227906  
1 1 1 60 15 12 o 1.46588  0.208963  2.21166      0.61263  1.33077      0.776183 3.66719      0.997728 1.10288  0.328013  1.87089  0.266645  
1 1 1 60 15 13 o 2.78979  0.125559  7.8719       0.700568 8.3457       0.931458 7.25477      1.06304  2.86163  0.16275   2.65529  0.200173  
1 1 1 60 15 14 o 2.18536  0.136469  4.84268      0.596467 3.60072      0.858989 5.9991       0.828881 1.86068  0.230826  2.42282  0.171057  
1 1 1 60 15 15 o 1.80116  0.174969  3.32015      0.630294 3.70704      0.887226 2.92595      0.895574 1.88582  0.235236  1.66504  0.268934  
1 1 1 60 15 16 o 0.786294 0.298282  0.516998     0.646416 1.08566      0.897167 -0.0969145   0.93218  1.02073  0.356384  0.739337 0.325535  
1 1 1 60 15 17 o 0.990005 0.312774  1.07003      0.691766 1.24341      0.974268 0.893743     0.982393 1.07439  0.371739  0.976491 0.368513  
1 1 1 60 15 18 o 0.9056   0.312537  0.85423      0.688282 0.255587     1.0352   1.32854      0.921454 0.835045 0.35483   1.08958  0.361891  
1 1 1 60 15 19 o 2.07595  0.183217  4.47261      0.7607   5.13292      1.06424  3.78284      1.08773  2.19364  0.242574  1.85679  0.292906  
1 1 1 60 15 20 o 1.7984   0.213905  3.41611      0.76937  2.02628      1.04229  5.07997      1.14043  1.29137  0.379029  2.16366  0.26354   
1 1 1 60 15 21 o 1.40841  0.280018  2.24475      0.76075  0.756895     1.02873  4.04039      1.13013  0.922603 0.36896   1.9017   0.297138  
1 1 1 60 15 22 o 2.26019  0.172332  5.33846      0.779006 5.83541      1.0042   4.58746      1.23448  2.33545  0.214991  2.00288  0.308175  
1 1 1 60 15 23 o 0.634375 0.286944  -0.175444    0.778158 -0.551059    1.01686  0.355385     1.20884  0.662732 0.309927  0.85292  0.373149  
1 1 1 60 15 24 o 0.856569 0.329519  0.780234     0.79781  0.852731     1.08924  0.696325     1.17183  0.917234 0.374561  0.897763 0.379308  
1 1 1 60 15 25 o 1.61939  0.298164  3.19885      0.929505 3.34642      1.40757  3.08474      1.23778  1.48211  0.441902  1.46632  0.407602  
1 1 1 60 15 26 o 0.758224 0.323117  0.478169     0.862827 0.319776     1.27806  0.610816     1.16959  0.806031 0.365901  0.83472  0.3661    
1 1 1 60 15 27 o 0.743878 0.324502  0.406789     0.908718 1.30351      1.36     -0.316464    1.22139  0.952185 0.405715  0.704705 0.331788  
1 1 1 60 15 28 o 0.512842 0.254356  -1.43689     0.98535  -1.15479     1.44847  -1.67989     1.34434  0.643844 0.317108  0.588777 0.292748  
1 1 1 60 15 29 o 0.723723 0.327092  0.442489     1.00911  1.74739      1.45037  -0.781903    1.40491  0.937246 0.409397  0.656137 0.320873  
1 1 1 60 15 30 o 0.627187 0.303924  -0.164933    1.18889  -1.17895     1.61492  1.03496      1.7567   0.61271  0.306355  0.755243 0.367058  
1 1 1 60 16 0  o 3.45571  0.135266  12.0544      0.931625 12.0544      0.931625 12.0544      0.931625 3.46385  0.0952532 ?        ?         
1 1 1 60 16 1  o 2.43026  0.118682  5.95051      0.576855 5.37607      0.811325 6.53779      0.820342 2.29958  0.176407  2.53926  0.161532  
1 1 1 60 16 2  o 1.04669  0.260595  1.17912      0.544064 0.282378     0.720956 2.36531      0.829192 0.752087 0.305529  1.48208  0.290084  
1 1 1 60 16 3  f 1.77548  0.155     3.19377      0.550401 3.23247      0.758572 3.15076      0.799835 1.7758   0.213586  1.75012  0.228508  
1 1 1 60 16 4  o 1.93205  0.140989  3.77435      0.544794 4.48851      0.729147 2.87183      0.819687 2.1009   0.173532  1.66655  0.245924  
1 1 1 60 16 5  o 0.879525 0.26983   0.811617     0.519807 1.21523      0.687216 0.271909     0.794674 1.06057  0.306645  0.776649 0.319003  
1 1 1 60 16 6  o 2.38535  0.116324  5.73444      0.554948 6.15531      0.738418 5.18823      0.841223 2.465    0.149781  2.25512  0.186514  
1 1 1 60 16 7  o 3.33351  0.100438  11.1782      0.669621 10.5948      0.944784 11.767       0.949207 3.23473  0.146038  3.41093  0.139142  
1 1 1 60 16 8  o 2.6784   0.10626   7.22257      0.569213 7.19499      0.741852 7.26205      0.887586 2.66679  0.139091  2.67263  0.166051  
1 1 1 60 16 9  o 2.76648  0.129229  7.73261      0.715021 8.32577      1.02954  7.17993      0.993794 2.85655  0.180207  2.65054  0.18747   
1 1 1 60 16 10 o 2.39891  0.161771  5.85199      0.77615  4.91695      1.11685  6.72535      1.07939  2.17123  0.257193  2.55657  0.211101  
1 1 1 60 16 11 f 1.96545  0.203087  3.97133      0.798313 6.21383      1.09576  1.43464      1.16542  2.45145  0.223493  1.16574  0.406264  
1 1 1 60 16 12 o 1.16993  0.326854  1.52284      0.793968 1.27051      1.03537  1.88304      1.23703  1.10043  0.382981  1.2901   0.419306  
1 1 1 60 16 13 o 2.94371  0.144713  8.80199      0.85199  8.41411      1.17239  9.23607      1.24026  2.85583  0.205263  2.99114  0.207322  
1 1 1 60 16 14 o 4.30372  0.112487  18.7012      0.968227 18.8424      1.32803  18.5409      1.41463  4.30173  0.15436   4.26122  0.165989  
1 1 1 60 16 15 o 1.85592  0.224997  3.58646      0.835151 3.73794      1.17641  3.43255      1.1858   1.83023  0.333756  1.74244  0.352592  
1 1 1 60 16 16 o 1.46521  0.199169  2.22167      0.58365  3.14755      0.908403 1.57075      0.761661 1.72232  0.263714  1.18113  0.316101  
1 1 1 60 16 17 o 2.25281  0.166661  5.20937      0.750909 4.39794      1.00491  6.23529      1.12995  2.03913  0.246406  2.43557  0.231968  
1 1 1 60 16 18 o 1.07979  0.312033  1.32802      0.711771 2.48978      0.966888 -0.0463127   1.05163  1.46554  0.336747  0.778679 0.343973  
1 1 1 60 16 19 o 2.76901  0.147861  7.87041      0.818856 7.82803      1.11389  7.92025      1.20788  2.73025  0.203991  2.7351   0.220811  
1 1 1 60 16 20 o 1.33725  0.284682  2.0329       0.738676 1.50885      1.01733  2.61728      1.07429  1.12641  0.380253  1.46967  0.366357  
1 1 1 60 16 21 o 0.700933 0.296846  0.2003       0.720477 -0.163038    0.928699 0.749536     1.14182  0.701955 0.315706  0.934946 0.382927  
1 1 1 60 16 22 o 0.621799 0.279446  -0.147376    0.726258 0.433164     0.937655 -1.01791     1.1482   0.810639 0.340741  0.65576  0.313369  
1 1 1 60 16 23 o 1.87912  0.22154   3.85444      0.832599 3.87616      1.12396  3.82802      1.23943  1.78543  0.326936  1.73146  0.368876  
1 1 1 60 16 24 f 0.583419 0.273429  -0.502858    0.803879 -1.04451     1.14887  0.0167092    1.12521  0.639465 0.307465  0.762912 0.345069  
1 1 1 60 16 25 f 1.2939   0.343859  2.24957      0.905265 1.84877      1.29493  2.63268      1.26603  1.09718  0.420432  1.30123  0.424193  
1 1 1 60 16 26 o 0.800435 0.332828  0.667716     0.879376 0.762587     1.30066  0.587834     1.19349  0.87001  0.383657  0.829511 0.366433  
1 1 1 60 16 27 o 0.762179 0.334254  0.584045     0.974785 0.0528511    1.45525  1.01636      1.31283  0.757122 0.358469  0.862801 0.382318  
1 1 1 60 16 28 o 0.755845 0.334632  0.667959     1.00281  0.953058     1.44429  0.402576     1.39345  0.82029  0.378068  0.754845 0.355101  
1 1 1 60 16 29 o 0.63319  0.301306  -0.135211    1.03973  0.65335      1.42254  -1.03959     1.52343  0.763254 0.358979  0.638898 0.316729  
1 1 1 60 17 0  o 2.76403  0.173306  7.7942       0.94941  7.7942       0.94941  7.7942       0.94941  2.77807  0.121354  ?        ?         
1 1 1 60 17 1  o 2.98445  0.109782  8.96856      0.655279 8.4756       0.954687 9.40769      0.901048 2.88865  0.165248  3.04807  0.147806  
1 1 1 60 17 2  o 0.657352 0.265973  0.21615      0.543497 -0.901848    0.729538 1.61055      0.814742 0.524796 0.250546  1.21086  0.328232  
1 1 1 60 17 3  o 1.50351  0.176126  2.30121      0.529616 2.51509      0.731041 2.06495      0.768329 1.56123  0.234124  1.38082  0.287684  
1 1 1 60 17 4  o 2.68399  0.104725  7.25001      0.562159 7.21403      0.781944 7.2885       0.80876  2.66917  0.146477  2.68192  0.15078   
1 1 1 60 17 5  o 4.52521  0.0800161 20.5551      0.724179 21.9217      1.05587  19.3412      0.995119 4.6644   0.113183  4.38116  0.113568  
1 1 1 60 17 6  o 2.53853  0.114319  6.49489      0.580402 6.99829      0.793056 5.9143       0.851703 2.62737  0.150922  2.40925  0.176757  
1 1 1 60 17 7  o 2.15227  0.124131  4.67624      0.534326 5.22353      0.707163 3.94804      0.81571  2.26843  0.15587   1.96077  0.208008  
1 1 1 60 17 8  o 1.71733  0.222178  3.04164      0.763104 2.5245       1.05268  3.61437      1.10781  1.50181  0.355533  1.84873  0.299614  
1 1 1 60 17 9  o 1.58915  0.243399  2.62415      0.773596 3.66836      1.06816  1.47227      1.12188  1.86532  0.286321  1.17354  0.399313  
1 1 1 60 17 10 o 2.99184  0.147253  9.08631      0.881114 8.57755      1.22263  9.63607      1.27094  2.884    0.211968  3.05859  0.207766  
1 1 1 60 17 11 o 1.7578   0.242614  3.22514      0.852932 3.70795      1.22737  2.77421      1.18614  1.8214   0.349393  1.55451  0.383408  
1 1 1 60 17 12 o 4.01046  0.121964  16.2642      0.978261 15.4813      1.326    17.1992      1.44912  3.89229  0.170337  4.09919  0.176757  
1 1 1 60 17 13 o 2.55084  0.170728  6.65192      0.871    7.26951      1.19306  5.94712      1.27453  2.64515  0.225519  2.37402  0.268433  
1 1 1 60 17 14 o 2.02663  0.206544  4.24975      0.83718  2.78752      1.23299  5.50046      1.14033  1.54501  0.396952  2.2883   0.249166  
1 1 1 60 17 15 o 2.07793  0.192042  4.45754      0.7981   3.95622      1.17626  4.88523      1.08645  1.91128  0.307715  2.15094  0.252553  
1 1 1 60 17 16 o 2.73265  0.146473  7.61699      0.800518 6.16091      1.15348  8.9699       1.11187  2.41878  0.238443  2.94643  0.188681  
1 1 1 60 17 17 o 0.657078 0.291862  -0.14464     0.77129  0.252439     1.14872  -0.470607    1.04079  0.862462 0.370344  0.708575 0.32423   
1 1 1 60 17 18 o 1.12959  0.300035  1.46204      0.689448 0.55185      0.902707 2.73626      1.06807  0.852875 0.343727  1.51838  0.35727   
1 1 1 60 17 19 o 2.52812  0.15407   6.58172      0.779013 6.48491      1.05018  6.70016      1.16161  2.47752  0.211942  2.50516  0.231844  
1 1 1 60 17 20 o 1.27484  0.286412  1.86606      0.712381 1.44168      0.925966 2.48153      1.11511  1.09814  0.362776  1.40961  0.384845  
1 1 1 60 17 21 o 2.40355  0.171127  6.04356      0.822623 5.34385      1.09406  6.95368      1.24776  2.20689  0.247874  2.51751  0.247817  
1 1 1 60 17 22 o 1.34749  0.311931  2.19858      0.824713 2.73557      1.1679   1.66448      1.16475  1.43225  0.395101  1.12402  0.404693  
1 1 1 60 17 23 o 1.37775  0.316605  2.32875      0.854611 3.15808      1.21817  1.52495      1.19926  1.53245  0.395049  1.07781  0.407041  
1 1 1 60 17 24 o 0.631612 0.290186  -0.236636    0.843129 -0.819447    1.2358   0.270882     1.15321  0.677661 0.324138  0.795019 0.354841  
1 1 1 60 17 25 o 0.787262 0.331378  0.591893     0.88889  -0.105263    1.29337  1.21594      1.22368  0.753401 0.351242  0.949141 0.39351   
1 1 1 60 17 26 o 2.67946  0.192082  7.96382      1.02935  7.70033      1.50016  8.19825      1.41501  2.45851  0.305095  2.59323  0.272828  
1 1 1 60 17 27 o 1.10324  0.387899  2.14003      1.06443  1.69711      1.45628  2.6481       1.5597   0.941834 0.410826  1.08588  0.446614  
1 1 1 60 17 28 o 0.542687 0.267274  -1.19931     1.03476  -0.525789    1.40762  -1.99121     1.52632  0.676895 0.328851  0.602243 0.301121  
1 1 1 60 17 29 o 0.804666 0.362255  1.34677      1.22576  2.03665      1.87736  0.834142     1.61831  0.8278   0.396806  0.738264 0.357131  
1 1 1 60 18 0  o 0.690952 0.396037  0.674857     0.853781 0.674857     0.853781 0.674857     0.853781 0.665679 0.348588  ?        ?         
1 1 1 60 18 1  o 1.74512  0.162628  3.09354      0.567611 3.84804      0.803113 2.3405       0.802333 1.93689  0.207321  1.47356  0.282313  
1 1 1 60 18 2  o 2.43833  0.120267  5.99705      0.586501 6.74677      0.818721 5.20675      0.840585 2.57796  0.158793  2.2584   0.186102  
1 1 1 60 18 3  f 1.658    0.16016   2.79164      0.53109  2.68766      0.72875  2.90941      0.775585 1.61459  0.225677  1.67867  0.231012  
1 1 1 60 18 4  o 3.28411  0.090302  10.8392      0.593123 10.2162      0.813644 11.5458      0.86645  3.18026  0.127921  3.38083  0.128142  
1 1 1 60 18 5  o 1.59159  0.16313   2.57507      0.519271 2.71545      0.723851 2.42623      0.74534  1.62269  0.22304   1.52936  0.243677  
1 1 1 60 18 6  o 2.15287  0.119863  4.67724      0.516098 5.56813      0.712005 3.69096      0.749155 2.34238  0.151984  1.89759  0.197397  
1 1 1 60 18 7  o 1.83049  0.195151  3.43439      0.714446 3.81336      1.04358  3.10009      0.980156 1.9063   0.273719  1.71518  0.285729  
1 1 1 60 18 8  o 1.64789  0.224873  2.80915      0.741128 2.45626      1.05723  3.15013      1.03923  1.47569  0.360749  1.69449  0.318365  
1 1 1 60 18 9  o 3.95204  0.111674  15.7589      0.882679 15.2566      1.25823  16.2456      1.2386   3.86941  0.162586  3.99627  0.154969  
1 1 1 60 18 10 o 2.50483  0.163005  6.39876      0.816598 6.53973      1.20121  6.27764      1.11346  2.50416  0.239843  2.45898  0.226407  
1 1 1 60 18 11 o 0.84041  0.324997  0.558702     0.778189 0.448101     1.18434  0.642731     1.03231  0.930356 0.386513  0.932211 0.37066   
1 1 1 60 18 12 o 1.07987  0.329034  1.28392      0.774715 0.691207     1.11553  1.83611      1.07673  0.963552 0.384622  1.26959  0.388114  
1 1 1 60 18 13 o 2.46028  0.165151  6.18844      0.812633 5.0491       1.16786  7.2579       1.13148  2.18395  0.267373  2.64492  0.213896  
1 1 1 60 18 14 o 1.38039  0.299641  2.12291      0.804037 1.20601      1.09727  3.18607      1.18156  1.07935  0.392382  1.66419  0.364958  
1 1 1 60 18 15 o 3.74444  0.12963   14.2391      0.970787 13.1359      1.47903  15.0741      1.28676  3.55376  0.208093  3.83283  0.167861  
1 1 1 60 18 16 o 0.587498 0.274125  -0.597027    0.78987  -1.41016     1.17173  0.0802307    1.06936  0.644878 0.310175  0.80859  0.352381  
1 1 1 60 18 17 o 1.09382  0.324695  1.3794       0.761055 0.684401     1.11045  1.99501      1.04511  0.932876 0.379112  1.28627  0.380181  
1 1 1 60 18 18 o 1.33206  0.283819  2.01102      0.733676 1.79034      1.01098  2.25655      1.06638  1.21673  0.376922  1.35991  0.378431  
1 1 1 60 18 19 o 1.15411  0.313474  1.5603       0.74221  1.77932      1.03444  1.3279       1.06554  1.20343  0.382707  1.07196  0.386964  
1 1 1 60 18 20 f 0.748514 0.310373  0.348266     0.761408 0.073302     1.0669   0.633666     1.08696  0.783293 0.346179  0.894858 0.370932  
1 1 1 60 18 21 o 2.02431  0.214699  4.42758      0.869236 2.58417      1.23786  6.22076      1.22088  1.37825  0.415114  2.35947  0.25872   
1 1 1 60 18 22 o 0.572514 0.268789  -0.563846    0.789342 0.734139     1.12808  -1.809       1.10488  0.899547 0.375686  0.562635 0.277113  
1 1 1 60 18 23 o 0.55824  0.267392  -0.810927    0.848476 0.196252     1.2356   -1.70964     1.16717  0.808867 0.363951  0.583321 0.287339  
1 1 1 60 18 24 o 0.554786 0.266105  -0.7638      0.847662 -0.585349    1.2502   -0.91564     1.15322  0.6958   0.330766  0.636861 0.30666   
1 1 1 60 18 25 o 1.18071  0.360883  2.00592      0.93099  3.56603      1.29514  0.337832     1.3392   1.52217  0.41438   0.811532 0.370033  
1 1 1 60 18 26 o 1.08698  0.378641  1.9673       1.01223  1.43215      1.37975  2.59103      1.48958  0.923541 0.401349  1.11811  0.445037  
1 1 1 60 18 27 o 1.21572  0.389166  2.6003       1.06836  2.59449      1.46236  2.60695      1.56459  1.07057  0.43506   1.04938  0.44058   
1 1 1 60 18 28 o 0.963747 0.376535  1.77924      1.05014  1.83664      1.43214  1.71248      1.54444  0.910353 0.401868  0.882956 0.401196  
1 1 1 60 19 0  o 3.42516  0.141867  11.8656      0.968044 11.8656      0.968044 11.8656      0.968044 3.4349   0.0998314 ?        ?         
1 1 1 60 19 1  o 0.892561 0.277649  0.837997     0.547811 1.07194      0.755891 0.579203     0.795033 1.00884  0.327771  0.856496 0.329075  
1 1 1 60 19 2  o 2.57293  0.112818  6.67334      0.580544 7.1315       0.807465 6.18309      0.835267 2.6509   0.1523    2.46405  0.169491  
1 1 1 60 19 3  o 0.962532 0.269351  0.998877     0.538744 1.01922      0.739872 0.975916     0.786019 0.987472 0.32428   0.97914  0.33424   
1 1 1 60 19 4  o 4.2588   0.0819164 18.2166      0.697731 19.3707      1.01862  17.1965      0.957676 4.38188  0.116231  4.12873  0.115977  
1 1 1 60 19 5  o 1.79032  0.14581   3.25055      0.522093 2.71876      0.714236 3.86076      0.765086 1.62288  0.220052  1.9399   0.197197  
1 1 1 60 19 6  o 0.778458 0.282956  0.546041     0.570587 0.796306     0.705721 0.0736254    0.969605 0.90073  0.315929  0.791624 0.340098  
1 1 1 60 19 7  o 3.16448  0.123094  10.1224      0.779054 9.8049       1.10693  10.434       1.09664  3.09618  0.178757  3.1968   0.171522  
1 1 1 60 19 8  o 1.94894  0.191147  3.90174      0.745071 4.3208       1.09174  3.53641      1.01936  2.02478  0.269594  1.82857  0.278732  
1 1 1 60 19 9  o 3.84208  0.111828  14.9004      0.859307 14.9782      1.26105  14.833       1.17409  3.83136  0.16457   3.81759  0.153774  
1 1 1 60 19 10 o 1.2514   0.29702   1.73185      0.733217 1.88254      1.07967  1.60287      0.998889 1.28486  0.387822  1.19595  0.375503  
1 1 1 60 19 11 o 0.580042 0.26817   -0.520054    0.734029 -0.0543639   1.13087  -0.859092    0.964916 0.820002 0.359815  0.634635 0.297815  
1 1 1 60 19 12 o 2.27936  0.17489   5.32847      0.797274 6.37025      1.1756   4.44126      1.08489  2.46611  0.238352  2.0483   0.264826  
1 1 1 60 19 13 o 1.18346  0.319581  1.57924      0.774189 1.09183      1.14088  1.99525      1.05401  1.05609  0.397477  1.31071  0.38002   
1 1 1 60 19 14 o 4.71434  0.112587  22.487       1.06155  24.6712      1.49831  20.2856      1.50421  4.9142   0.152447  4.44518  0.169196  
1 1 1 60 19 15 o 1.04956  0.340785  1.23774      0.817117 1.24975      1.20892  1.22763      1.10873  1.09041  0.409402  1.07277  0.393989  
1 1 1 60 19 16 o 0.83873  0.324092  0.617654     0.773541 0.126298     1.08255  1.13028      1.10573  0.815223 0.35491   1.03832  0.391205  
1 1 1 60 19 17 o 2.05622  0.196541  4.42989      0.808263 4.30813      1.1467   4.5501       1.13945  1.97545  0.290239  2.03703  0.279683  
1 1 1 60 19 18 o 1.09826  0.330574  1.41764      0.785179 1.57189      1.17331  1.29254      1.05665  1.14429  0.406755  1.0635   0.385204  
1 1 1 60 19 19 o 1.05132  0.333331  1.31392      0.785171 1.30898      1.19052  1.31772      1.04455  1.06516  0.404585  1.05808  0.383016  
1 1 1 60 19 20 o 0.6659   0.2955    -0.0420866   0.78814  -1.27525     1.13192  1.11839      1.09805  0.623088 0.300941  0.994431 0.385745  
1 1 1 60 19 21 o 1.78457  0.237968  3.52106      0.849342 3.13046      1.23072  3.87624      1.17362  1.52977  0.398375  1.76916  0.343963  
1 1 1 60 19 22 o 1.61266  0.26599   2.97321      0.857901 2.17915      1.26277  3.65388      1.16914  1.23104  0.423478  1.68814  0.357248  
1 1 1 60 19 23 o 0.971033 0.355315  1.24703      0.901034 1.48384      1.34719  1.05537      1.21201  1.02404  0.417099  0.935438 0.389962  
1 1 1 60 19 24 o 0.508771 0.250467  -1.31064     0.884411 -2.07758     1.24112  -0.51944     1.2606   0.565502 0.281191  0.69886  0.332183  
1 1 1 60 19 25 o 0.50498  0.249451  -1.44241     0.924175 -0.366922    1.27688  -2.62565     1.33932  0.702485 0.334102  0.549775 0.27661   
1 1 1 60 19 26 o 1.44778  0.355426  3.19233      1.02295  2.66498      1.4725   3.68423      1.42215  1.10308  0.441303  1.35535  0.449587  
1 1 1 60 19 27 o 0.55745  0.273243  -1.00396     1.03345  0.120513     1.39035  -2.39227     1.54488  0.729315 0.347638  0.58337  0.293549  
1 1 1 60 19 28 o 0.643441 0.308029  0.0861085    1.122    -0.328999    1.67516  0.423838     1.51099  0.663793 0.329598  0.702776 0.341201  
1 1 1 60 20 0  o 0.480467 0.322091  -0.199681    0.835648 -0.199681    0.835648 -0.199681    0.835648 0.394983 0.266627  ?        ?         
1 1 1 60 20 1  o 5.05521  0.0808076 25.668       0.816998 25.9486      1.13877  25.3703      1.1728   5.0724   0.112252  5.01374  0.116959  
1 1 1 60 20 2  o 3.27679  0.0948752 10.8033      0.621773 11.3746      0.874021 10.218       0.884717 3.35325  0.130325  3.17559  0.1393    
1 1 1 60 20 3  o 2.03178  0.13529   4.18054      0.549761 3.75004      0.737174 4.71999      0.82521  1.91204  0.192772  2.14523  0.192336  
1 1 1 60 20 4  o 3.42953  0.0896597 11.8287      0.614982 11.9294      0.861765 11.7243      0.87789  3.43481  0.125446  3.4041   0.128946  
1 1 1 60 20 5  o 1.85671  0.131905  3.49118      0.489818 3.32857      0.64476  3.7131       0.753234 1.80359  0.178744  1.89996  0.198223  
1 1 1 60 20 6  o 4.88788  0.0959691 24.0555      0.93817  24.0687      1.31247  24.0416      1.34156  4.87325  0.13466   4.869    0.137765  
1 1 1 60 20 7  o 3.20703  0.124876  10.4056      0.800964 9.65378      1.14143  11.1349      1.12423  3.06745  0.186056  3.30116  0.170278  
1 1 1 60 20 8  o 1.14988  0.307429  1.46669      0.720892 2.16482      1.09394  0.930801     0.958435 1.37279  0.383706  0.989863 0.365934  
1 1 1 60 20 9  o 1.21784  0.298311  1.64276      0.721825 0.82555      1.06727  2.3317       0.979937 0.983728 0.380567  1.43658  0.34491   
1 1 1 60 20 10 o 3.00871  0.133306  9.17991      0.802158 10.3188      1.17342  8.18076      1.09908  3.16951  0.18511   2.81802  0.195009  
1 1 1 60 20 11 o 2.55751  0.160301  6.68596      0.819942 6.72268      1.26415  6.65929      1.07729  2.52568  0.250259  2.53175  0.212755  
1 1 1 60 20 12 o 2.32452  0.176033  5.5509       0.818386 6.29732      1.20657  4.91492      1.11374  2.44465  0.246778  2.1544   0.25848   
1 1 1 60 20 13 o 1.87478  0.209529  3.66055      0.785641 2.82447      1.12345  4.46073      1.09907  1.55834  0.36625   2.0435   0.26892   
1 1 1 60 20 14 o 2.81778  0.14946   8.12703      0.842292 6.38064      1.18838  9.88995      1.194    2.45134  0.242395  3.08462  0.193541  
1 1 1 60 20 15 o 2.5768   0.161688  6.84064      0.833277 6.53302      1.20897  7.11903      1.15009  2.47178  0.244555  2.59537  0.221567  
1 1 1 60 20 16 o 3.01399  0.140579  9.30534      0.847404 9.24392      1.22036  9.36253      1.17761  2.96413  0.205854  2.98935  0.196967  
1 1 1 60 20 17 o 0.72997  0.310832  0.189261     0.797351 1.69268      1.13917  -1.2547      1.11642  1.17822  0.40238   0.632043 0.3037    
1 1 1 60 20 18 o 0.623095 0.284173  -0.317934    0.790753 -0.119819    1.16903  -0.485037    1.07364  0.784946 0.353553  0.702951 0.324739  
1 1 1 60 20 19 o 0.740557 0.311507  0.301789     0.784598 -0.266831    1.18825  0.74134      1.04473  0.760268 0.347281  0.902682 0.367426  
1 1 1 60 20 20 o 0.718729 0.307847  0.233416     0.790239 1.35546      1.15526  -0.753261    1.08334  1.04446  0.398015  0.65775  0.310496  
1 1 1 60 20 21 o 2.19444  0.201487  5.19565      0.884304 4.99246      1.30707  5.36715      1.20086  2.03991  0.320374  2.15998  0.27798   
1 1 1 60 20 22 o 0.726086 0.316655  0.250309     0.864822 1.55612      1.25415  -0.933523    1.19414  1.05098  0.41131   0.655521 0.314766  
1 1 1 60 20 23 o 1.47082  0.33684   2.88445      0.970028 3.89243      1.35663  1.83         1.38755  1.6019   0.418768  1.07044  0.428326  
1 1 1 60 20 24 o 1.18786  0.354637  2.01551      0.906131 2.29164      1.26849  1.72777      1.29485  1.17329  0.422341  1.03882  0.414474  
1 1 1 60 20 25 o 1.40072  0.352161  2.93293      0.986281 4.64069      1.35769  1.0247       1.43516  1.68824  0.406391  0.857283 0.388627  
1 1 1 60 20 26 o 0.608338 0.291503  -0.416009    1.0109   -2.07088     1.39259  1.42743      1.4698   0.570042 0.285021  0.884711 0.397575  
1 1 1 60 20 27 o 0.708097 0.322837  0.509451     1.01879  0.61025      1.50298  0.423766     1.38572  0.751872 0.359114  0.726729 0.34656   
1 1 1 60 21 0  o 2.25311  0.193172  5.25566      0.855757 5.25566      0.855757 5.25566      0.855757 2.27332  0.13416   ?        ?         
1 1 1 60 21 1  f 3.01512  0.105084  9.16565      0.63368  9.38184      0.869029 8.92019      0.926    3.04005  0.14293   2.95995  0.156421  
1 1 1 60 21 2  o 1.72572  0.160361  3.0352       0.553477 3.22577      0.759821 2.81978      0.807854 1.76594  0.215132  1.64273  0.245887  
1 1 1 60 21 3  f 1.29807  0.206487  1.73871      0.536071 2.29895      0.731802 1.08996      0.787497 1.48294  0.24674   1.01302  0.334554  
1 1 1 60 21 4  o 4.80204  0.0834921 23.1802      0.801864 24.9333      1.16576  21.606       1.10471  4.96775  0.117333  4.62355  0.119466  
1 1 1 60 21 5  o 1.3116   0.274139  1.87734      0.695771 1.21079      0.980695 2.55287      0.987275 1.07434  0.372844  1.50913  0.33587   
1 1 1 60 21 6  o 2.87703  0.134073  8.39034      0.771467 8.58799      1.07315  8.17895      1.10981  2.89292  0.185479  2.81864  0.19687   
1 1 1 60 21 7  o 3.3238   0.117874  11.1652      0.783577 11.401       1.14675  10.9586      1.0732   3.33901  0.171719  3.27687  0.163753  
1 1 1 60 21 8  o 1.29993  0.283151  1.85662      0.715684 1.32071      1.04826  2.32451      0.979493 1.11266  0.385538  1.43329  0.345281  
1 1 1 60 21 9  o 0.829254 0.314666  0.586316     0.719546 1.31096      1.03837  -0.0831024   0.998016 1.10468  0.383623  0.765952 0.337046  
1 1 1 60 21 10 o 2.27614  0.171236  5.31389      0.779516 5.49967      1.12614  5.14299      1.08011  2.2853   0.246388  2.2109   0.244268  
1 1 1 60 21 11 o 2.9185   0.145103  8.67622      0.846969 8.07625      1.24912  9.1868       1.15232  2.78034  0.224635  2.98201  0.193212  
1 1 1 60 21 12 o 2.98563  0.139224  9.08181      0.831341 8.81968      1.17575  9.3439       1.17564  2.91295  0.201814  3.00159  0.195836  
1 1 1 60 21 13 o 0.860376 0.325563  0.680204     0.768454 0.983119     1.12083  0.411512     1.05562  1.01039  0.390181  0.867851 0.362997  
1 1 1 60 21 14 o 3.20653  0.146568  10.5387      0.939952 12.0427      1.30851  8.93509      1.3511   3.39773  0.192557  2.89896  0.233032  
1 1 1 60 21 15 o 1.7233   0.224555  3.15431      0.773951 3.12269      1.11461  3.18376      1.0755   1.62358  0.353114  1.65149  0.33728   
1 1 1 60 21 16 o 1.58671  0.244977  2.7138       0.777417 2.88331      1.11468  2.55325      1.08479  1.5433   0.366172  1.44573  0.372857  
1 1 1 60 21 17 o 0.749937 0.313217  0.312056     0.784164 -0.108224    1.13563  0.695063     1.08411  0.777798 0.349503  0.913022 0.373399  
1 1 1 60 21 18 o 1.8158   0.228945  3.57231      0.831438 3.42763      1.20648  3.70316      1.1474   1.65362  0.37358   1.75246  0.339485  
1 1 1 60 21 19 f 1.72453  0.244334  3.29634      0.842726 2.20622      1.20807  4.32963      1.17616  1.26826  0.414369  1.92374  0.305696  
1 1 1 60 21 20 o 2.75611  0.161533  7.97642      0.890403 6.74281      1.29395  9.08594      1.22715  2.4376   0.265415  2.89233  0.212138  
1 1 1 60 21 21 o 0.772333 0.329974  0.409072     0.903919 -0.460986    1.29862  1.22681      1.25897  0.736492 0.345592  0.989501 0.40315   
1 1 1 60 21 22 f 0.613019 0.28751   -0.432391    0.894729 1.54499      1.30694  -2.17663     1.22747  1.02574  0.413508  0.559143 0.278252  
1 1 1 60 21 23 f 0.577199 0.278144  -0.845758    0.953203 -0.227624    1.37075  -1.42454     1.32641  0.750445 0.352788  0.632829 0.310012  
1 1 1 60 21 24 o 0.568475 0.273103  -0.64151     0.901726 -0.62609     1.28263  -0.656578    1.26797  0.667008 0.321723  0.661044 0.3191    
1 1 1 60 21 25 o 0.797348 0.341985  0.874211     0.977544 2.25768      1.33036  -0.749376    1.44119  1.0447   0.418832  0.663992 0.324778  
1 1 1 60 21 26 f 1.05381  0.385012  2.04209      1.05759  1.93143      1.564    2.13532      1.43556  0.93851  0.416397  0.985975 0.418363  
1 1 1 60 22 0  o 5.04143  0.11269   25.5761      1.13495  25.5761      1.13495  25.5761      1.13495  5.04937  0.079513  ?        ?         
1 1 1 60 22 1  o 0.552265 0.249178  -0.251946    0.583164 -1.35595     0.784727 1.10977      0.871521 0.495469 0.241771  1.02914  0.351949  
1 1 1 60 22 2  f 1.02127  0.264896  1.13883      0.545542 1.14799      0.749239 1.12849      0.795899 1.02903  0.325549  1.02652  0.336334  
1 1 1 60 22 3  o 2.2346   0.124163  5.05209      0.55491  5.57109      0.751867 4.43116      0.822388 2.33737  0.160836  2.07417  0.198245  
1 1 1 60 22 4  o 3.07319  0.0942246 9.50864      0.57914  10.2912      0.79203  8.60944      0.848989 3.18922  0.124173  2.91057  0.145846  
1 1 1 60 22 5  o 0.949091 0.317731  0.940189     0.710291 1.17821      1.00499  0.702628     1.00402  1.06674  0.376725  0.938511 0.367867  
1 1 1 60 22 6  o 2.61781  0.140212  6.95925      0.734097 7.66032      1.08826  6.37386      0.994417 2.72517  0.199668  2.48569  0.200028  
1 1 1 60 22 7  o 1.26685  0.284234  1.77198      0.702362 1.50556      1.04225  1.99361      0.950637 1.1626   0.384882  1.32112  0.352953  
1 1 1 60 22 8  o 2.20982  0.168456  5.00443      0.744513 4.22851      1.09505  5.67142      1.01527  1.99181  0.274887  2.33385  0.21751   
1 1 1 60 22 9  o 3.62001  0.118674  13.2671      0.859204 13.6334      1.23205  12.9203      1.19883  3.64674  0.168925  3.55013  0.168842  
1 1 1 60 22 10 o 0.694724 0.29939   0.0444072    0.75567  0.44751      1.08017  -0.341994    1.05755  0.891223 0.369619  0.739769 0.334571  
1 1 1 60 22 11 o 1.05168  0.33211   1.24282      0.780005 0.14418      1.13799  2.21633      1.07123  0.843573 0.365513  1.36826  0.378811  
1 1 1 60 22 12 o 2.72686  0.149556  7.61801      0.815637 7.38861      1.14445  7.8548       1.16273  2.65124  0.215834  2.73563  0.212516  
1 1 1 60 22 13 o 1.25799  0.3144    1.82896      0.789647 2.41969      1.15819  1.31585      1.07943  1.40451  0.395541  1.08308  0.389626  
1 1 1 60 22 14 o 1.88272  0.214291  3.74587      0.8069   3.11296      1.14443  4.37152      1.13785  1.61364  0.363361  1.99295  0.28547   
1 1 1 60 22 15 o 1.62525  0.236509  2.83357      0.768775 3.30273      1.12461  2.42201      1.05331  1.66847  0.348381  1.4095   0.369238  
1 1 1 60 22 16 o 0.994163 0.332037  1.14182      0.775694 1.02564      1.10418  1.25502      1.08995  0.992009 0.386405  1.04843  0.389704  
1 1 1 60 22 17 o 0.732209 0.308268  0.28002      0.769492 -0.829746    1.12621  1.25175      1.05384  0.671823 0.316975  1.03274  0.383329  
1 1 1 60 22 18 o 0.620324 0.282991  -0.268962    0.785419 -0.778247    1.1534   0.171391     1.07251  0.678679 0.320377  0.788269 0.347898  
1 1 1 60 22 19 o 1.69882  0.25239   3.23534      0.857528 1.6586       1.23052  4.72406      1.19568  1.11478  0.414131  2.01211  0.297122  
1 1 1 60 22 20 o 1.5591   0.296523  2.93211      0.891272 3.22145      1.24072  2.62359      1.28115  1.52366  0.401483  1.33834  0.425937  
1 1 1 60 22 21 o 0.621915 0.290108  -0.36157     0.883934 0.682439     1.25496  -1.38947     1.24524  0.869739 0.380357  0.622634 0.303956  
1 1 1 60 22 22 f 1.40949  0.323825  2.61604      0.894203 1.7679       1.27831  3.42873      1.25131  1.06011  0.415178  1.51059  0.405562  
1 1 1 60 22 23 o 0.936759 0.359134  1.26548      0.945242 0.282719     1.28543  2.4226       1.39481  0.782408 0.35898   1.15745  0.438427  
1 1 1 60 22 24 o 0.788197 0.337841  0.793317     0.952911 0.87633      1.33194  0.706278     1.36386  0.823732 0.37383   0.803717 0.369181  
1 1 1 60 22 25 o 0.789643 0.345297  0.811447     1.03407  1.31209      1.52982  0.39028      1.40315  0.87417  0.39776   0.761228 0.357588  
1 1 1 60 22 26 o 0.67904  0.332366  -0.104492    1.51612  -0.104492    1.51612  0            0        0.676713 0.331494  ?        ?         
1 1 1 60 23 0  o 2.56662  0.170173  6.74673      0.864724 6.74673      0.864724 6.74673      0.864724 2.58224  0.118971  ?        ?         
1 1 1 60 23 1  o 1.40117  0.208545  2.02998      0.584414 1.85352      0.787318 2.24653      0.872149 1.29025  0.308769  1.42019  0.315353  
1 1 1 60 23 2  o 1.91187  0.149185  3.71954      0.570446 4.3263       0.78864  3.05373      0.826131 2.05021  0.192331  1.70846  0.241776  
1 1 1 60 23 3  o 1.02414  0.260942  1.14756      0.536125 1.07048      0.704059 1.25393      0.827108 0.994634 0.315674  1.06982  0.342414  
1 1 1 60 23 4  o 1.87383  0.164267  3.58977      0.615615 4.2953       0.784236 2.457        0.993709 2.04159  0.192065  1.47146  0.343564  
1 1 1 60 23 5  o 2.03643  0.176066  4.25762      0.717092 4.50645      1.05167  4.04141      0.980329 2.06627  0.254485  1.95844  0.250284  
1 1 1 60 23 6  o 1.17324  0.298195  1.53794      0.701422 2.05683      1.02749  1.08509      0.959878 1.33245  0.371687  1.02657  0.367603  
1 1 1 60 23 7  o 2.16091  0.167885  4.78548      0.725566 4.67071      1.0671   4.88416      0.989497 2.10229  0.253795  2.16062  0.228985  
1 1 1 60 23 8  o 1.95808  0.194569  3.96534      0.761964 4.09971      1.12669  3.85208      1.03438  1.95248  0.288527  1.89993  0.272216  
1 1 1 60 23 9  o 3.76791  0.120601  14.3987      0.908826 12.2709      1.29004  16.4953      1.28056  3.44478  0.187246  4.01209  0.159587  
1 1 1 60 23 10 o 0.964921 0.326572  1.00833      0.75037  1.43878      1.03858  0.538244     1.08533  1.12499  0.384203  0.903746 0.372274  
1 1 1 60 23 11 o 1.59995  0.240964  2.72793      0.771063 3.15789      1.12499  2.34701      1.0589   1.6408   0.352939  1.39963  0.371867  
1 1 1 60 23 12 o 1.47944  0.280243  2.4529       0.79909  1.98398      1.14174  2.90315      1.11877  1.27254  0.401802  1.5591   0.364878  
1 1 1 60 23 13 o 1.90895  0.215149  3.85394      0.821418 2.07052      1.1818   5.52076      1.14252  1.29055  0.408923  2.26156  0.252595  
1 1 1 60 23 14 o 2.08153  0.191406  4.5408       0.796834 5.0563       1.13999  4.04832      1.11424  2.15145  0.264935  1.90784  0.292016  
1 1 1 60 23 15 o 1.0753   0.333981  1.37348      0.793057 1.91258      1.11168  0.814811     1.13169  1.23178  0.397248  0.947649 0.383646  
1 1 1 60 23 16 o 0.777136 0.317713  0.44323      0.784593 2.13268      1.15969  -0.9828      1.06545  1.27722  0.405118  0.634002 0.302707  
1 1 1 60 23 17 o 2.78912  0.153191  8.10225      0.854535 7.11745      1.24877  8.96953      1.17189  2.53472  0.246332  2.89128  0.202658  
1 1 1 60 23 18 o 1.12426  0.349518  1.61099      0.868287 0.443043     1.20401  2.87663      1.25336  0.859912 0.374328  1.44589  0.412853  
1 1 1 60 23 19 o 1.18094  0.342776  1.79757      0.857073 1.18862      1.20438  2.42237      1.21994  0.991458 0.398083  1.3026   0.415747  
1 1 1 60 23 20 f 0.555019 0.26582   -0.761354    0.837958 -0.570455    1.17467  -0.959154    1.19571  0.684636 0.323227  0.649985 0.312803  
1 1 1 60 23 21 o 0.72017  0.318149  0.251499     0.899854 -0.230385    1.30854  0.683834     1.23944  0.741579 0.347786  0.854695 0.375854  
1 1 1 60 23 22 o 1.05834  0.356699  1.62024      0.895203 2.69308      1.25096  0.494178     1.28161  1.28201  0.421661  0.81973  0.369651  
1 1 1 60 23 23 f 0.682296 0.315215  0.0876269    1.01176  0.423557     1.43749  -0.242165    1.4243   0.785238 0.367588  0.717616 0.344384  
1 1 1 60 23 24 o 0.762953 0.339122  0.683501     1.04358  0.931133     1.59766  0.499222     1.37822  0.824236 0.386144  0.765685 0.358702  
1 1 1 60 23 25 o 0.807753 0.344326  1.0159       0.980334 0.457616     1.40572  1.54452      1.36786  0.746801 0.352985  0.881151 0.390374  
1 1 1 60 24 0  o 1.81305  0.237692  3.52865      0.828775 3.52865      0.828775 3.52865      0.828775 1.84761  0.161427  ?        ?         
1 1 1 60 24 1  o 1.18292  0.254633  1.52937      0.585171 0.92986      0.783241 2.28677      0.88036  0.951289 0.332908  1.42688  0.31683   
1 1 1 60 24 2  o 0.543226 0.24428   -0.214907    0.555803 -0.665015    0.761175 0.299184     0.813478 0.567782 0.266094  0.778169 0.321625  
1 1 1 60 24 3  o 2.36871  0.118131  5.67956      0.559635 6.2833       0.759237 4.96129      0.828129 2.48129  0.152992  2.19336  0.188781  
1 1 1 60 24 4  o 0.713573 0.298467  0.189        0.713661 -1.57521     1.01591  1.90786      1.00276  0.573799 0.278956  1.28485  0.370065  
1 1 1 60 24 5  o 1.0104   0.312324  1.1233       0.694656 0.198622     1.02095  1.92037      0.947893 0.824101 0.351344  1.29211  0.355729  
1 1 1 60 24 6  o 3.42129  0.123067  11.869       0.842097 10.5603      1.25279  12.9477      1.13737  3.19337  0.196154  3.55651  0.1599    
1 1 1 60 24 7  o 2.77606  0.146664  7.86899      0.814294 8.38532      1.21361  7.44619      1.09819  2.83303  0.21419   2.67432  0.205322  
1 1 1 60 24 8  o 2.4118   0.162047  5.97583      0.781649 5.51126      1.11517  6.4245       1.09592  2.27793  0.244778  2.47249  0.221622  
1 1 1 60 24 9  o 0.59912  0.274914  -0.416464    0.754098 -0.182713    1.06584  -0.650759    1.06708  0.759496 0.340001  0.691319 0.321036  
1 1 1 60 24 10 o 2.2247   0.172224  5.12039      0.766293 4.78151      1.1006   5.43923      1.06756  2.10435  0.261505  2.25985  0.236202  
1 1 1 60 24 11 o 0.814393 0.320917  0.546549     0.767436 -1.00945     1.14053  1.83392      1.03742  0.669758 0.31722   1.23106  0.38191   
1 1 1 60 24 12 o 1.18417  0.320273  1.63842      0.776795 2.65881      1.13408  0.736577     1.06617  1.47373  0.381779  0.929569 0.374002  
1 1 1 60 24 13 o 1.94282  0.202491  3.98031      0.786809 4.21052      1.14427  3.77385      1.08363  1.94254  0.29453   1.83899  0.294628  
1 1 1 60 24 14 o 0.714395 0.303669  0.201766     0.758675 0.198683     1.06908  0.204894     1.07682  0.80946  0.352552  0.812701 0.353894  
1 1 1 60 24 15 o 1.28232  0.310476  1.95731      0.788901 2.15263      1.16375  1.79124      1.07311  1.28149  0.40576   1.18417  0.390537  
1 1 1 60 24 16 o 1.67301  0.252281  3.11414      0.844137 2.50766      1.17948  3.75098      1.20863  1.36594  0.403933  1.72862  0.361324  
1 1 1 60 24 17 o 1.46205  0.301724  2.55968      0.852166 2.07363      1.14852  3.15497      1.27106  1.23382  0.404028  1.52321  0.408661  
1 1 1 60 24 18 o 0.822961 0.329877  0.65513      0.825059 0.0289891    1.14819  1.32359      1.18636  0.773052 0.349172  1.02322  0.400123  
1 1 1 60 24 19 o 0.921475 0.344334  1.0611       0.853178 0.97516      1.22716  1.14151      1.18699  0.926969 0.389733  0.957066 0.390947  
1 1 1 60 24 20 o 0.825379 0.334562  0.764973     0.862129 1.90355      1.21293  -0.397586    1.22564  1.1049   0.41102   0.70626  0.332474  
1 1 1 60 24 21 o 1.01456  0.360154  1.48062      0.919585 0.990667     1.28452  1.99571      1.31707  0.901343 0.389408  1.09762  0.423149  
1 1 1 60 24 22 o 0.614566 0.287784  -0.203653    0.883664 -0.452673    1.26941  0.030471     1.23086  0.676509 0.324769  0.720068 0.337627  
1 1 1 60 24 23 o 0.621607 0.294021  -0.237806    0.976883 0.24187      1.49292  -0.596971    1.29184  0.753354 0.359365  0.649937 0.315529  
1 1 1 60 24 24 o 0.749072 0.331275  0.642587     0.97922  1.65255      1.48333  -0.137526    1.30366  0.909585 0.404302  0.68955  0.330566  
1 1 1 60 24 25 o 0.581666 0.281946  -0.370597    1.02446  -0.604631    1.45709  -0.141817    1.44064  0.6257   0.310081  0.655486 0.321718  
1 1 1 60 25 0  o 2.5471   0.175502  6.66904      0.884296 6.66904      0.884296 6.66904      0.884296 2.56503  0.122525  ?        ?         
1 1 1 60 25 1  o 2.47485  0.125434  6.21339      0.620863 5.34594      0.853495 7.1883       0.904815 2.27565  0.187528  2.64579  0.170991  
1 1 1 60 25 2  o 0.974298 0.277972  1.04712      0.568403 0.988885     0.747709 1.12685      0.874871 0.963797 0.325993  1.02455  0.352481  
1 1 1 60 25 3  o 2.31773  0.133061  5.46236      0.616798 6.45166      0.767538 3.65874      1.03635  2.51233  0.152754  1.84493  0.280866  
1 1 1 60 25 4  o 2.08138  0.172514  4.45883      0.718132 4.34198      1.06042  4.55782      0.976008 2.01668  0.262912  2.07964  0.234658  
1 1 1 60 25 5  o 1.70259  0.220688  3.04313      0.751482 3.61748      1.16511  2.63399      0.98337  1.77962  0.339523  1.51548  0.33346   
1 1 1 60 25 6  o 2.47727  0.166316  6.31703      0.824022 6.18571      1.19022  6.43791      1.14196  2.41052  0.246881  2.46832  0.231323  
1 1 1 60 25 7  o 1.26738  0.295626  1.82174      0.736314 3.11244      1.04714  0.559403     1.03557  1.64622  0.32968   0.891783 0.364866  
1 1 1 60 25 8  o 1.46685  0.267006  2.38481      0.754348 1.96512      1.06223  2.8118       1.07144  1.27577  0.384598  1.54369  0.354339  
1 1 1 60 25 9  o 1.2081   0.309287  1.6863       0.75051  1.21996      1.08296  2.11724      1.04104  1.05534  0.389209  1.32202  0.375875  
1 1 1 60 25 10 o 2.50474  0.1582    6.46847      0.792498 6.38249      1.15957  6.54384      1.0856   2.44248  0.237376  2.48566  0.218373  
1 1 1 60 25 11 o 0.876436 0.329765  0.753688     0.785166 1.6045       1.22598  0.162057     1.02234  1.15796  0.415366  0.797268 0.34596   
1 1 1 60 25 12 o 0.98798  0.328678  1.11652      0.760078 1.62196      1.10251  0.658713     1.04928  1.15334  0.395797  0.901723 0.367827  
1 1 1 60 25 13 o 0.803966 0.318191  0.55613      0.757505 -0.0897604   1.10735  1.12421      1.03851  0.769983 0.34558   1.00557  0.379066  
1 1 1 60 25 14 o 1.05937  0.334046  1.35586      0.789384 1.51704      1.12047  1.19702      1.11229  1.10333  0.396958  1.02008  0.390013  
1 1 1 60 25 15 o 0.698212 0.304863  0.109428     0.8036   0.474546     1.13425  -0.258552    1.13869  0.85624  0.367849  0.739885 0.338799  
1 1 1 60 25 16 o 1.38167  0.308113  2.30993      0.829483 1.83386      1.12895  2.86844      1.2228   1.16763  0.400532  1.45235  0.405588  
1 1 1 60 25 17 o 0.665189 0.296192  -0.0145755   0.799267 -1.19723     1.11037  1.25714      1.15142  0.613883 0.296765  1.00739  0.394134  
1 1 1 60 25 18 o 2.71679  0.187039  7.98385      1.01629  8.21525      1.35299  7.68425      1.53952  2.67359  0.253029  2.51049  0.306617  
1 1 1 60 25 19 f 0.662503 0.299713  -0.00708344  0.849273 -1.1311      1.18228  1.19128      1.22075  0.623076 0.302289  0.949487 0.393308  
1 1 1 60 25 20 o 1.00739  0.351506  1.43023      0.872658 1.30363      1.24443  1.55273      1.22407  0.960478 0.397436  1.0124   0.403282  
1 1 1 60 25 21 o 0.575202 0.276135  -0.649263    0.917717 0.657303     1.36325  -1.73206     1.24103  0.827495 0.376244  0.573834 0.28476   
1 1 1 60 25 22 o 0.606467 0.288365  -0.338066    0.950692 0.253363     1.38666  -0.862633    1.30593  0.749678 0.353126  0.634829 0.310198  
1 1 1 60 25 23 f 1.09154  0.37205   2.02337      0.973911 3.01785      1.52185  1.33361      1.26743  1.15085  0.452418  0.883601 0.38434   
1 1 1 60 25 24 f 0.75945  0.332989  0.910027     0.967008 0.484914     1.43271  1.26573      1.31055  0.719699 0.345387  0.803582 0.366313  
1 1 1 60 26 0  o 0.872775 0.418827  1.21559      0.836813 1.21559      0.836813 1.21559      0.836813 0.935914 0.343389  ?        ?         
1 1 1 60 26 1  o 1.49167  0.206682  2.32565      0.6166   2.35094      0.807822 2.29035      0.954403 1.45069  0.288672  1.40366  0.342519  
1 1 1 60 26 2  o 1.20363  0.262064  1.60684      0.613295 1.47406      0.747404 1.88052      1.07304  1.13511  0.317125  1.25664  0.388122  
1 1 1 60 26 3  o 2.44639  0.160727  6.15304      0.786399 5.26965      1.13144  6.97862      1.09379  2.21834  0.255019  2.57931  0.212032  
1 1 1 60 26 4  o 1.63788  0.221971  2.83008      0.727123 2.9634       1.06967  2.71556      0.991399 1.59445  0.345184  1.53203  0.332872  
1 1 1 60 26 5  o 1.60289  0.231522  2.72683      0.742206 3.02605      1.08115  2.46011      1.02073  1.60892  0.345917  1.44139  0.355772  
1 1 1 60 26 6  o 0.626408 0.279876  -0.170615    0.719083 -0.298216    1.00819  -0.0384856   1.02592  0.718173 0.325637  0.76772  0.339359  
1 1 1 60 26 7  o 1.55037  0.243363  2.57679      0.754602 1.71486      1.08575  3.38215      1.04951  1.19394  0.392831  1.71858  0.317264  
1 1 1 60 26 8  o 0.583961 0.269524  -0.442528    0.737398 -1.28913     1.09679  0.255824     0.996139 0.623561 0.299964  0.810205 0.346284  
1 1 1 60 26 9  o 0.739482 0.308956  0.272608     0.763382 0.11686      1.13033  0.403222     1.03511  0.821763 0.360163  0.849238 0.357538  
1 1 1 60 26 10 o 0.829983 0.320839  0.624685     0.758249 0.565023     1.14781  0.670882     1.01001  0.905584 0.378631  0.898214 0.362928  
1 1 1 60 26 11 o 0.763474 0.316353  0.356716     0.790165 0.391819     1.17087  0.32736      1.07075  0.872333 0.374217  0.835541 0.358127  
1 1 1 60 26 12 o 2.08582  0.199957  4.61584      0.83415  5.52283      1.21159  3.79853      1.15014  2.22808  0.271892  1.78618  0.33433   
1 1 1 60 26 13 o 0.942956 0.337708  1.01499      0.810127 1.00466      1.10885  1.02683      1.18647  0.971092 0.384773  0.985488 0.395351  
1 1 1 60 26 14 o 0.840994 0.331898  0.69216      0.821998 2.4321       1.13677  -1.21456     1.19001  1.34801  0.395893  0.643883 0.310401  
1 1 1 60 26 15 o 1.26323  0.323707  1.97666      0.821549 -0.178347    1.1223   4.46466      1.20589  0.742658 0.33866   1.9445   0.310078  
1 1 1 60 26 16 o 1.67476  0.251947  3.16243      0.843904 2.30141      1.1476   4.17628      1.2453   1.28644  0.402201  1.81147  0.356423  
1 1 1 60 26 17 o 0.787222 0.327584  0.545099     0.852897 -0.270142    1.16467  1.48789      1.25247  0.721717 0.335246  1.03564  0.409379  
1 1 1 60 26 18 o 0.648484 0.295219  -0.0875793   0.845056 0.213921     1.18681  -0.39764     1.20354  0.779137 0.353293  0.703557 0.330695  
1 1 1 60 26 19 o 0.645874 0.296468  -0.135989    0.877809 -0.578111    1.31401  0.220336     1.17965  0.703749 0.336046  0.771135 0.350451  
1 1 1 60 26 20 o 1.01904  0.358087  1.55655      0.906985 0.724275     1.32472  2.29094      1.24439  0.842254 0.377999  1.15225  0.417959  
1 1 1 60 26 21 o 0.995704 0.360411  1.61908      0.924874 0.749674     1.34708  2.39437      1.27208  0.809552 0.369781  1.10903  0.419102  
1 1 1 60 26 22 o 0.617401 0.289824  -0.155919    0.916585 -0.180934    1.27168  -0.128873    1.32229  0.684495 0.327743  0.697274 0.333943  
1 1 1 60 26 23 o 0.899087 0.358075  1.45132      0.964849 2.45964      1.43301  0.615152     1.30496  1.00786  0.422327  0.748606 0.350403  
1 1 1 60 27 0  o 2.13114  0.215685  4.79801      0.897724 4.79801      0.897724 4.79801      0.897724 2.16175  0.148429  ?        ?         
1 1 1 60 27 1  o 1.82824  0.168651  3.45427      0.616669 3.82908      0.824666 2.97883      0.928792 1.90506  0.216441  1.62514  0.296776  
1 1 1 60 27 2  o 2.66853  0.123051  7.24885      0.656731 7.41387      0.811527 6.93572      1.11792  2.68683  0.151019  2.56243  0.218136  
1 1 1 60 27 3  o 2.03792  0.182333  4.31892      0.743158 5.35574      1.11211  3.48239      0.99894  2.2329   0.249029  1.78436  0.279916  
1 1 1 60 27 4  o 1.32617  0.291285  2.0011       0.751587 2.44224      1.09038  1.60179      1.0374   1.41807  0.377622  1.16024  0.383986  
1 1 1 60 27 5  o 1.245    0.298927  1.77979      0.73604  0.318578     1.05549  3.16299      1.02693  0.839884 0.35763   1.65687  0.321371  
1 1 1 60 27 6  o 1.1213   0.316719  1.46164      0.741511 2.03075      1.07488  0.944863     1.02426  1.28736  0.386637  0.972304 0.373531  
1 1 1 60 27 7  o 1.12925  0.314098  1.48446      0.734798 1.84818      1.09745  1.18892      0.989269 1.22694  0.394598  1.03229  0.372836  
1 1 1 60 27 8  o 1.58283  0.234332  2.68714      0.741813 3.22163      1.10383  2.24694      1.00174  1.64713  0.346061  1.3597   0.361889  
1 1 1 60 27 9  o 2.79669  0.148986  8.0625       0.833335 7.60431      1.24612  8.43318      1.12083  2.65788  0.23442   2.82778  0.198183  
1 1 1 60 27 10 o 1.21596  0.308173  1.7456       0.750745 2.1765       1.08831  1.35438      1.03698  1.31067  0.388117  1.06772  0.382107  
1 1 1 60 27 11 o 1.44319  0.291478  2.41803      0.811863 1.56496      1.17078  3.20817      1.12678  1.11938  0.405471  1.61284  0.358706  
1 1 1 60 27 12 o 1.28233  0.324571  2.00505      0.83358  1.85684      1.11549  2.19248      1.25442  1.18906  0.398175  1.26898  0.422244  
1 1 1 60 27 13 o 1.26388  0.320615  1.96244      0.812026 1.9957       1.13732  1.92786      1.15977  1.21614  0.402052  1.19452  0.406001  
1 1 1 60 27 14 o 0.735973 0.310948  0.323271     0.787493 -0.0779423   1.09227  0.757558     1.1364   0.747908 0.339042  0.905027 0.377464  
1 1 1 60 27 15 o 0.74412  0.315498  0.347833     0.81539  -0.109617    1.09338  0.921019     1.2239   0.737131 0.335636  0.938842 0.391657  
1 1 1 60 27 16 o 1.69677  0.257505  3.32632      0.873852 3.4337       1.19058  3.20093      1.28663  1.58206  0.38039   1.47529  0.417358  
1 1 1 60 27 17 o 0.609195 0.284328  -0.349309    0.850512 -0.890734    1.19864  0.1997       1.20701  0.650825 0.313202  0.781131 0.35486   
1 1 1 60 27 18 o 0.872488 0.338906  0.964289     0.848183 0.144228     1.24141  1.68227      1.16159  0.772476 0.353735  1.04893  0.399283  
1 1 1 60 27 19 o 1.33995  0.346253  2.53297      0.934334 2.8929       1.44716  2.2757       1.22352  1.25285  0.451094  1.16161  0.41512   
1 1 1 60 27 20 o 0.681315 0.304749  0.287695     0.854705 -0.818616    1.22312  1.34347      1.19485  0.627211 0.305288  0.903382 0.382415  
1 1 1 60 27 21 o 0.956846 0.356619  1.53126      0.913958 2.13186      1.26986  0.885772     1.31646  1.02599  0.410084  0.809722 0.368581  
1 1 1 60 27 22 o 0.668713 0.307412  0.21371      0.947739 -0.990929    1.27767  1.68741      1.41317  0.607305 0.299131  0.907596 0.400111  
1 1 1 60 28 0  o 2.12602  0.224499  4.80423      0.930228 4.80423      0.930228 4.80423      0.930228 2.16007  0.154057  ?        ?         
1 1 1 60 28 1  o 2.76234  0.120989  7.76996      0.668428 7.04345      0.848661 8.95711      1.08484  2.61121  0.162503  2.93077  0.185078  
1 1 1 60 28 2  o 2.04795  0.150572  4.3132       0.616728 4.40221      0.73278  4.09703      1.14196  2.0576   0.178067  1.92036  0.29733   
1 1 1 60 28 3  o 3.12838  0.131118  9.99908      0.820374 8.6629       1.20796  11.143       1.11767  2.86375  0.210904  3.27835  0.170461  
1 1 1 60 28 4  o 2.57944  0.151353  6.84902      0.780812 6.82102      1.1517   6.87284      1.06219  2.52866  0.227728  2.55142  0.208158  
1 1 1 60 28 5  o 1.20473  0.303635  1.68404      0.731842 1.10466      1.09117  2.15776      0.986661 1.01789  0.387131  1.33362  0.361071  
1 1 1 60 28 6  o 4.89758  0.104853  24.341       1.02705  21.8792      1.47591  26.6524      1.43011  4.59817  0.160489  5.09523  0.140338  
1 1 1 60 28 7  o 0.899245 0.321685  0.869377     0.734891 1.50979      1.10697  0.364701     0.982681 1.11838  0.395336  0.820222 0.346988  
1 1 1 60 28 8  o 0.677787 0.295076  0.059748     0.748303 1.16171      1.12552  -0.813222    1.00177  1.02346  0.392028  0.633851 0.299028  
1 1 1 60 28 9  o 1.36076  0.292057  2.15624      0.771928 0.895782     1.12411  3.28102      1.06189  0.955404 0.384182  1.65631  0.332268  
1 1 1 60 28 10 o 1.9103   0.217088  3.93305      0.829406 3.88928      1.12421  3.98532      1.22865  1.80626  0.322845  1.80131  0.353648  
1 1 1 60 28 11 o 1.64613  0.265486  3.05164      0.874053 2.29139      1.18906  3.94533      1.2892   1.29752  0.41008   1.75434  0.378221  
1 1 1 60 28 12 o 0.899213 0.336636  0.906889     0.816203 0.710107     1.13018  1.1214       1.18     0.897182 0.375454  0.990423 0.395508  
1 1 1 60 28 13 o 0.732912 0.313615  0.27406      0.818725 -0.663028    1.14012  1.27181      1.17644  0.682653 0.321158  1.01808  0.398378  
1 1 1 60 28 14 o 0.650141 0.295077  -0.137619    0.830286 -0.162168    1.14887  -0.110778    1.20129  0.741582 0.339883  0.76181  0.348484  
1 1 1 60 28 15 o 1.05662  0.349212  1.49758      0.858017 1.97745      1.20082  0.997032     1.22643  1.15201  0.411295  0.929881 0.390224  
1 1 1 60 28 16 o 1.67693  0.261244  3.31828      0.876176 1.45444      1.23488  5.20782      1.24336  1.00396  0.403097  2.0481   0.303541  
1 1 1 60 28 17 o 1.06113  0.344599  1.56957      0.835498 1.33856      1.22074  1.77314      1.14595  0.969389 0.396304  1.07349  0.399476  
1 1 1 60 28 18 o 0.532538 0.258181  -0.916926    0.859746 -0.246923    1.31555  -1.41641     1.13587  0.726739 0.342798  0.575329 0.283401  
1 1 1 60 28 19 o 0.640324 0.292207  0.0628937    0.838845 0.573118     1.19217  -0.437407    1.18052  0.778176 0.353293  0.654716 0.314036  
1 1 1 60 28 20 o 0.820083 0.338595  1.00364      0.900105 0.861314     1.25876  1.15256      1.28761  0.801672 0.363661  0.844723 0.376043  
1 1 1 60 28 21 o 0.602767 0.284837  -0.239588    0.914844 -0.389695    1.26013  -0.0722999   1.33029  0.656628 0.317207  0.697685 0.334335  
1 1 1 60 28 22 o 0.615725 0.289473  0.0933402    0.923163 -0.0634179   1.2724   0.267572     1.34144  0.643881 0.312763  0.678594 0.327726  
1 1 1 60 29 0  o 2.09408  0.229376  4.68784      0.934357 4.68784      0.934357 4.68784      0.934357 2.13086  0.156987  ?        ?         
1 1 1 60 29 1  o 1.48432  0.210498  2.33485      0.624892 2.31078      0.804735 2.37141      0.991745 1.41974  0.293392  1.4004   0.35377   
1 1 1 60 29 2  o 0.728326 0.30628   0.247986     0.75815  -0.00404336  1.18651  0.421892     0.985602 0.812016 0.361245  0.835061 0.350098  
1 1 1 60 29 3  o 3.691    0.117287  13.8832      0.865814 12.757       1.33631  14.698       1.13666  3.48384  0.191787  3.77485  0.150558  
1 1 1 60 29 4  o 1.56306  0.254621  2.668        0.795974 2.95427      1.2163   2.45356      1.0527   1.52983  0.394936  1.40965  0.369064  
1 1 1 60 29 5  o 1.90088  0.202634  3.83073      0.770364 3.1631       1.2053   4.29183      1.00166  1.59064  0.382911  1.98132  0.252777  
1 1 1 60 29 6  o 2.58072  0.152911  6.89634      0.789243 5.12398      1.15267  8.46067      1.08291  2.14976  0.268092  2.83145  0.191229  
1 1 1 60 29 7  o 1.68854  0.235135  3.09923      0.794069 3.55595      1.20257  2.74615      1.05736  1.69451  0.365265  1.48816  0.358896  
1 1 1 60 29 8  o 2.18646  0.190921  5.06816      0.834881 4.40265      1.14649  5.81949      1.21817  1.96361  0.291934  2.28081  0.267047  
1 1 1 60 29 9  o 1.76096  0.234601  3.40167      0.826245 2.84318      1.13977  4.02024      1.1995   1.47843  0.382612  1.80963  0.343842  
1 1 1 60 29 10 o 0.703003 0.307972  0.105933     0.825697 -0.084649    1.14995  0.308761     1.18632  0.765318 0.347329  0.83617  0.367709  
1 1 1 60 29 11 o 0.991038 0.352702  1.2047       0.882428 2.27521      1.26156  0.179174     1.23476  1.27207  0.423443  0.822979 0.36725   
1 1 1 60 29 12 o 1.23054  0.331056  1.90501      0.832713 2.71131      1.21638  1.19383      1.14237  1.39764  0.409217  0.995341 0.391756  
1 1 1 60 29 13 o 0.824357 0.329522  0.696285     0.820035 0.76127      1.1741   0.634391     1.14583  0.890944 0.378211  0.863196 0.370241  
1 1 1 60 29 14 o 0.731457 0.31607   0.32228      0.846548 -0.11761     1.17762  0.792689     1.21779  0.739553 0.341058  0.886901 0.381093  
1 1 1 60 29 15 o 0.63889  0.291413  -0.111144    0.832129 0.593016     1.20912  -0.744767    1.14696  0.838476 0.36981   0.64971  0.311128  
1 1 1 60 29 16 o 0.645498 0.293594  -0.052283    0.831661 0.841288     1.19446  -0.893071    1.15865  0.872173 0.376141  0.634173 0.305859  
1 1 1 60 29 17 o 1.32877  0.32167   2.38498      0.846917 1.49105      1.21834  3.22086      1.17812  0.979169 0.397381  1.44959  0.395481  
1 1 1 60 29 18 o 0.736947 0.318486  0.561868     0.859759 0.180595     1.24076  0.914027     1.19245  0.733045 0.342631  0.83143  0.366906  
1 1 1 60 29 19 o 1.09929  0.353967  1.96288      0.882889 1.03086      1.28396  2.79884      1.21599  0.828151 0.371893  1.20392  0.415423  
1 1 1 60 29 20 o 0.725355 0.319581  0.549937     0.899732 1.19544      1.28516  -0.0705813   1.26004  0.852471 0.377937  0.690746 0.329655  
1 1 1 60 29 21 o 0.793888 0.335321  1.12077      0.915356 1.23507      1.26624  0.995665     1.32475  0.787965 0.359429  0.756244 0.353694  
1 1 1 60 30 0  o 1.48611  0.348767  2.69436      0.899837 2.69436      0.899837 2.69436      0.899837 1.57728  0.210003  ?        ?         
1 1 1 60 30 1  o 2.04798  0.187697  4.41939      0.768798 4.73651      1.10812  4.12508      1.06751  2.06629  0.268142  1.92139  0.277796  
1 1 1 60 30 2  o 1.68663  0.226218  3.06842      0.76309  3.62289      1.15943  2.6447       1.01356  1.73189  0.346974  1.47048  0.349343  
1 1 1 60 30 3  o 0.984325 0.32239   1.13558      0.731276 1.02623      1.16506  1.20667      0.939369 0.990005 0.39373   1.01472  0.363625  
1 1 1 60 30 4  o 1.19326  0.315467  1.70739      0.764434 1.06652      1.18085  2.1697       1.00295  0.998016 0.396555  1.31145  0.367675  
1 1 1 60 30 5  o 0.845147 0.32319   0.716687     0.763914 0.452063     1.247    0.875654     0.966502 0.88455  0.382935  0.920978 0.360942  
1 1 1 60 30 6  o 0.892692 0.340741  0.844972     0.847845 2.4526       1.25662  -0.498384    1.1487   1.34074  0.421211  0.71408  0.332177  
1 1 1 60 30 7  o 1.15072  0.34321   1.66086      0.848962 1.33099      1.22204  1.96858      1.18027  1.04443  0.40657   1.20701  0.409574  
1 1 1 60 30 8  o 3.24202  0.144459  10.9151      0.936679 10.486       1.30735  11.3677      1.34269  3.11447  0.209883  3.2463   0.206803  
1 1 1 60 30 9  o 2.11244  0.214918  4.85197      0.908004 6.14863      1.25487  3.42698      1.3155   2.3259   0.269759  1.58738  0.411165  
1 1 1 60 30 10 o 2.53511  0.178402  6.82319      0.904537 7.35023      1.271    6.28232      1.28758  2.56269  0.247982  2.34071  0.275039  
1 1 1 60 30 11 o 1.70244  0.260642  3.3087       0.887455 2.44107      1.27772  4.11738      1.23355  1.29256  0.426147  1.79154  0.356924  
1 1 1 60 30 12 o 1.2386   0.331098  1.99127      0.83625  1.41123      1.18226  2.57204      1.18301  1.01982  0.3993    1.32842  0.406966  
1 1 1 60 30 13 o 1.37028  0.320061  2.4229       0.862145 3.16641      1.19708  1.62161      1.24272  1.47978  0.3964    1.04886  0.409645  
1 1 1 60 30 14 o 0.706246 0.31135   0.23306      0.85575  -0.0353305   1.21305  0.498951     1.20739  0.746144 0.344878  0.820714 0.364783  
1 1 1 60 30 15 f 0.75257  0.316385  0.516933     0.808619 -0.157659    1.14414  1.19015      1.14298  0.711139 0.331082  0.934883 0.383048  
1 1 1 60 30 16 o 0.716951 0.308601  0.418448     0.801048 -1.01517     1.10843  1.98577      1.15897  0.599195 0.291327  1.09577  0.402779  
1 1 1 60 30 17 o 0.892573 0.336534  1.19097      0.818662 1.08242      1.19043  1.28838      1.12765  0.858333 0.372902  0.897565 0.375286  
1 1 1 60 30 18 o 1.68979  0.273401  3.71947      0.923982 2.77204      1.33599  4.58816      1.27927  1.1489   0.430574  1.67992  0.388245  
1 1 1 60 30 19 o 0.519034 0.2538    -0.927704    0.878376 -1.26253     1.236    -0.586062    1.24852  0.585828 0.28917   0.641216 0.31095   
1 1 1 60 30 20 o 0.612326 0.287418  0.0397877    0.900785 0.111579     1.27527  -0.0316959   1.27254  0.670646 0.322818  0.65683  0.317556  
1 1 1 60 31 0  o 0.595663 0.393816  0.113955     1.16858  0.113955     1.16858  0.113955     1.16858  0.51884  0.338325  ?        ?         
1 1 1 60 31 1  o 0.871404 0.331531  0.797264     0.800476 0.178508     1.07435  1.56943      1.20016  0.793196 0.349362  1.10747  0.409474  
1 1 1 60 31 2  o 1.01387  0.327224  1.24365      0.7542   2.7948       1.12891  -0.00677275  1.01359  1.46843  0.381142  0.74351  0.332236  
1 1 1 60 31 3  o 0.719054 0.302729  0.289298     0.742083 -0.0665109   1.11572  0.571576     0.993765 0.761514 0.344067  0.847493 0.353193  
1 1 1 60 31 4  o 0.85078  0.333256  0.727659     0.823693 0.196712     1.18169  1.22943      1.14876  0.817784 0.362501  1.01503  0.394383  
1 1 1 60 31 5  o 1.02853  0.344236  1.31011      0.833738 -0.131235    1.19907  2.65921      1.16007  0.772009 0.351508  1.40958  0.395505  
1 1 1 60 31 6  o 0.671554 0.297288  0.0110315    0.791241 0.195888     1.1143   -0.176967    1.12373  0.799552 0.35352   0.744214 0.339236  
1 1 1 60 31 7  o 0.745585 0.314252  0.347313     0.80114  1.20918      1.13059  -0.521906    1.1354   1.00331  0.390958  0.699431 0.327247  
1 1 1 60 31 8  o 0.680539 0.301974  0.014211     0.822849 0.040282     1.12738  -0.0155115   1.20374  0.773101 0.347764  0.783811 0.355588  
1 1 1 60 31 9  o 2.87954  0.160448  8.73086      0.924029 8.52048      1.30548  8.94208      1.30807  2.76445  0.23612   2.83906  0.23037   
1 1 1 60 31 10 o 0.748533 0.315281  0.411746     0.805496 0.909295     1.15828  -0.0542349   1.12093  0.914951 0.381308  0.743248 0.338801  
1 1 1 60 31 11 o 1.70068  0.249887  3.33212      0.849955 1.3889       1.20031  5.28643      1.20373  1.00552  0.399724  2.0992   0.286712  
1 1 1 60 31 12 o 1.74868  0.247863  3.55018      0.866864 2.71807      1.18482  4.50871      1.27164  1.34035  0.406611  1.82724  0.36081   
1 1 1 60 31 13 o 0.649544 0.29579   -0.0675927   0.849716 -0.523478    1.23659  0.340218     1.16957  0.692925 0.329192  0.788471 0.354471  
1 1 1 60 31 14 o 0.689371 0.304254  0.216684     0.820324 -0.263148    1.12984  0.751627     1.19296  0.692486 0.324475  0.851953 0.371725  
1 1 1 60 31 15 o 1.47051  0.289374  2.78937      0.820735 2.26067      1.1458   3.34649      1.17618  1.15983  0.402961  1.46691  0.392913  
1 1 1 60 31 16 o 0.655512 0.295513  0.18861      0.818493 1.10377      1.18239  -0.653414    1.13416  0.859195 0.372433  0.621168 0.300225  
1 1 1 60 31 17 o 1.68823  0.258125  3.62362      0.871548 3.12128      1.22973  4.13061      1.23541  1.28353  0.418067  1.57506  0.393016  
1 1 1 60 31 18 o 0.697064 0.312365  0.389659     0.901602 0.624991     1.29691  0.169547     1.25427  0.7754   0.357713  0.716611 0.337052  
1 1 1 60 31 19 o 0.578524 0.275909  -0.204162    0.878818 -0.750792    1.2496   0.330787     1.23618  0.598212 0.294634  0.691488 0.328807  
1 1 1 60 32 0  o 2.7512   0.236244  8.11777      1.27786  8.11777      1.27786  8.11777      1.27786  2.80155  0.162516  ?        ?         
1 1 1 60 32 1  o 1.20872  0.332663  1.82865      0.829116 2.6087       1.13151  0.924198     1.2184   1.39852  0.390025  0.952497 0.393642  
1 1 1 60 32 2  o 2.05241  0.218956  4.59312      0.898778 4.131        1.22177  5.13814      1.32684  1.82259  0.347648  2.07717  0.319387  
1 1 1 60 32 3  f 0.728621 0.321499  0.105685     0.915203 -0.847054    1.21233  1.36808      1.3955   0.685453 0.325786  1.05411  0.42632   
1 1 1 60 32 4  o 1.777    0.254525  3.54955      0.904583 3.20539      1.23736  3.94463      1.32575  1.54394  0.398231  1.72786  0.392481  
1 1 1 60 32 5  o 1.98301  0.215141  4.28515      0.853256 5.63245      1.17741  2.795        1.23826  2.22722  0.264323  1.41906  0.412047  
1 1 1 60 32 6  o 0.764229 0.322211  0.39542      0.842667 1.16468      1.14428  -0.516068    1.24558  0.986588 0.390885  0.726965 0.340641  
1 1 1 60 32 7  o 2.16674  0.200943  5.0959       0.870782 5.72809      1.18673  4.35849      1.28169  2.23205  0.26584   1.83596  0.36194   
1 1 1 60 32 8  o 2.38442  0.187667  6.13981      0.894954 7.11408      1.33843  5.35195      1.20359  2.46946  0.270996  2.12849  0.282734  
1 1 1 60 32 9  o 2.18706  0.20236   5.2564       0.885146 4.52437      1.29637  5.89573      1.21151  1.84199  0.364868  2.23863  0.270592  
1 1 1 60 32 10 o 0.672282 0.298316  0.107723     0.803084 -0.139549    1.15457  0.339489     1.11778  0.725992 0.335907  0.787696 0.350521  
1 1 1 60 32 11 o 0.71198  0.31577   0.209557     0.898271 -0.826143    1.31503  1.11554      1.22993  0.682759 0.328444  0.929762 0.390505  
1 1 1 60 32 12 o 1.25627  0.330878  2.12949      0.842945 2.12745      1.1836   2.1316       1.20079  1.15802  0.408846  1.15592  0.411431  
1 1 1 60 32 13 o 1.18718  0.339194  1.9641       0.845768 3.71911      1.22089  0.344753     1.17276  1.59239  0.386669  0.780793 0.352766  
1 1 1 60 32 14 o 0.633124 0.288374  0.0339627    0.80858  -0.163116    1.11181  0.255236     1.17808  0.677284 0.318199  0.742507 0.341925  
1 1 1 60 32 15 o 0.563689 0.267697  -0.396618    0.817069 -0.297706    1.1722   -0.490091    1.13951  0.662746 0.316688  0.63639  0.306041  
1 1 1 60 32 16 o 0.700421 0.308464  0.461648     0.837334 -0.488458    1.19497  1.37815      1.17365  0.638656 0.308589  0.887682 0.377523  
1 1 1 60 32 17 o 0.826838 0.33737   1.02963      0.882943 0.739417     1.24254  1.32565      1.25489  0.784548 0.357379  0.873282 0.381139  
1 1 1 60 32 18 o 0.533    0.259577  -0.631971    0.888546 -0.759097    1.27586  -0.512245    1.23817  0.600964 0.295964  0.613488 0.300299  
1 1 1 60 33 0  o 0.540215 0.375398  -0.549088    1.34464  -0.549088    1.34464  -0.549088    1.34464  0.446516 0.311016  ?        ?         
1 1 1 60 33 1  o 0.672417 0.308802  -0.274165    0.953656 -0.570047    1.29349  0.0782093    1.41158  0.731858 0.343686  0.837624 0.381384  
1 1 1 60 33 2  o 0.998097 0.354011  1.25795      0.888315 1.9093       1.19144  0.442658     1.33298  1.16499  0.41031   0.872254 0.386034  
1 1 1 60 33 3  o 1.67126  0.27404   3.23371      0.915983 2.77865      1.21027  3.84389      1.40144  1.40375  0.407287  1.64538  0.423471  
1 1 1 60 33 4  o 0.699835 0.310753  0.0741112    0.873426 0.776147     1.15846  -0.850631    1.32957  0.893756 0.377353  0.705771 0.337254  
1 1 1 60 33 5  o 0.794884 0.333142  0.533963     0.891947 0.372496     1.17184  0.756351     1.37525  0.819269 0.362348  0.912221 0.398558  
1 1 1 60 33 6  o 0.449492 0.226108  -2.20824     0.894434 -2.07344     1.19284  -2.38138     1.35188  0.56049  0.27828   0.587175 0.292175  
1 1 1 60 33 7  o 2.37624  0.191268  6.15801      0.908997 5.853        1.25769  6.49159      1.31527  2.20839  0.284754  2.32898  0.282371  
1 1 1 60 33 8  o 2.14992  0.211142  5.15616      0.907875 5.38348      1.27291  4.9208       1.29524  2.08308  0.305535  1.92942  0.348409  
1 1 1 60 33 9  o 2.01848  0.222794  4.62265      0.899411 3.50256      1.30415  5.6386       1.24204  1.51272  0.417606  2.14484  0.289542  
1 1 1 60 33 10 o 1.08763  0.345498  1.65122      0.843239 1.80503      1.18827  1.49518      1.19682  1.07693  0.405584  1.00394  0.399127  
1 1 1 60 33 11 o 0.611366 0.286275  -0.341321    0.874127 -0.504285    1.27364  -0.196204    1.20188  0.698302 0.332824  0.716543 0.335553  
1 1 1 60 33 12 o 0.937305 0.33997   1.25142      0.823308 1.22292      1.19375  1.27727      1.13699  0.918256 0.385151  0.929688 0.381669  
1 1 1 60 33 13 o 1.5455   0.291589  3.15383      0.868351 2.90978      1.23459  3.39278      1.22158  1.27178  0.418893  1.41733  0.408526  
1 1 1 60 33 14 o 1.03835  0.346188  1.70636      0.843219 1.60912      1.18469  1.8062       1.20045  0.943622 0.388861  0.98234  0.396184  
1 1 1 60 33 15 o 0.563459 0.267752  -0.36652     0.818523 0.974975     1.21316  -1.4875      1.10898  0.82097  0.365253  0.539672 0.267995  
1 1 1 60 33 16 o 0.702627 0.311487  0.465834     0.872804 1.14613      1.23503  -0.212918    1.23363  0.839456 0.371542  0.668865 0.320871  
1 1 1 60 33 17 o 0.690984 0.308768  0.585845     0.875459 0.231309     1.22613  0.954556     1.2504   0.673169 0.3222    0.755885 0.349674  
1 1 1 60 34 0  f 0.89716  0.520037  1.67801      1.4942   1.67801      1.4942   1.67801      1.4942   0.954212 0.46894   ?        ?         
1 1 1 60 34 1  o 0.972087 0.379481  1.24081      1.06618  3.43142      1.50157  -0.98657     1.51412  1.45629  0.460887  0.727053 0.350406  
1 1 1 60 34 2  o 1.92051  0.282531  4.40116      1.08521  3.67767      1.39068  5.52773      1.73536  1.5609   0.431383  1.88828  0.46254   
1 1 1 60 34 3  o 1.53992  0.320224  3.02216      0.953518 3.73883      1.28896  2.15595      1.41708  1.61628  0.400318  1.15884  0.441045  
1 1 1 60 34 4  f 1.171    0.350222  1.8758       0.883183 2.56867      1.14579  0.861492     1.38632  1.31795  0.399865  0.911423 0.399168  
1 1 1 60 34 5  o 2.00673  0.228273  4.57095      0.916167 5.6647       1.2105   3.10428      1.40175  2.17258  0.278586  1.37858  0.446222  
1 1 1 60 34 6  o 1.00107  0.352899  1.39059      0.88153  1.40243      1.19286  1.37635      1.30849  0.990137 0.396748  0.984616 0.407487  
1 1 1 60 34 7  o 2.40499  0.200902  6.42155      0.966337 8.69587      1.34998  4.03162      1.38387  2.73136  0.247126  1.62314  0.422316  
1 1 1 60 34 8  o 0.904533 0.349325  1.07803      0.898422 0.876025     1.24376  1.29844      1.29917  0.883388 0.382435  0.962082 0.402575  
1 1 1 60 34 9  o 1.12012  0.350922  1.78539      0.873029 1.68877      1.21361  1.88901      1.25683  1.03815  0.404951  1.07934  0.414025  
1 1 1 60 34 10 f 0.660347 0.300034  0.0330969    0.863563 1.85556      1.20564  -1.88702     1.23751  1.061    0.405935  0.568968 0.28262   
1 1 1 60 34 11 o 0.830907 0.339725  0.946379     0.897152 -0.50463     1.26384  2.42025      1.27375  0.670242 0.322316  1.13933  0.421723  
1 1 1 60 34 12 o 0.672483 0.301284  0.264839     0.838363 -0.364619    1.17991  0.90664      1.19142  0.658805 0.315503  0.824327 0.364874  
1 1 1 60 34 13 o 1.06599  0.349651  1.83015      0.860177 1.87267      1.20469  1.78592      1.22861  0.985642 0.397145  0.963913 0.396407  
1 1 1 60 34 14 o 0.851203 0.34144   1.10476      0.884806 1.47081      1.30255  0.791139     1.20566  0.903633 0.391287  0.796037 0.358772  
1 1 1 60 34 15 o 1.68094  0.277683  3.75676      0.933536 3.21847      1.33207  4.2763       1.30868  1.23175  0.433848  1.5375   0.415645  
1 1 1 60 34 16 o 0.578092 0.278152  -0.25704     0.944371 -0.528569    1.29007  0.0564581    1.38619  0.609592 0.300253  0.665237 0.324021  
1 1 1 60 35 0  o 1.74905  0.496866  4.47822      1.5041   4.47822      1.5041   4.47822      1.5041   1.96356  0.289576  ?        ?         
1 1 1 60 35 1  o 0.955493 0.358777  1.24951      0.928466 0.350921     1.35661  2.04128      1.27343  0.822318 0.374273  1.1281   0.420849  
1 1 1 60 35 2  o 1.23508  0.375355  2.222        1.00906  3.67126      1.34946  0.383959     1.51973  1.53978  0.424676  0.848378 0.3897    
1 1 1 60 35 3  o 1.28315  0.378378  2.40242      1.03637  3.06999      1.44814  1.70155      1.48381  1.3376   0.453677  1.03788  0.431996  
1 1 1 60 35 4  o 0.795855 0.344559  0.546782     1.0097   2.1085       1.49015  -0.778838    1.3729   1.11138  0.444227  0.698924 0.336067  
1 1 1 60 35 5  o 0.869075 0.352649  0.92739      0.959286 1.25312      1.3274   0.571302     1.38789  0.954153 0.403446  0.851573 0.384305  
1 1 1 60 35 6  o 0.711202 0.31687   0.206116     0.915983 0.383173     1.20096  -0.0401254   1.4163   0.795563 0.358342  0.776972 0.363924  
1 1 1 60 35 7  o 1.07661  0.364538  1.70421      0.934981 2.19108      1.22822  1.03323      1.44185  1.15425  0.415574  0.91358  0.403268  
1 1 1 60 35 8  o 1.91527  0.253931  4.41142      0.972694 4.36939      1.21703  4.48575      1.61842  1.76149  0.357904  1.56213  0.47549   
1 1 1 60 35 9  o 0.939574 0.362864  1.39609      0.96942  1.01112      1.24655  1.98521      1.54204  0.857954 0.37711   1.00498  0.43023   
1 1 1 60 35 10 o 1.02169  0.363657  1.70763      0.938121 1.92397      1.20441  1.37392      1.49586  1.02188  0.402236  0.900202 0.402897  
1 1 1 60 35 11 o 0.996175 0.370637  1.70611      0.986377 2.50138      1.30575  0.649132     1.50534  1.10794  0.422871  0.797743 0.373928  
1 1 1 60 35 12 o 2.0924   0.231159  5.31929      0.967351 4.76668      1.27683  6.06385      1.48209  1.73522  0.378405  1.92881  0.397783  
1 1 1 60 35 13 o 0.502009 0.249479  -1.46742     0.970091 -2.56876     1.25395  0.174325     1.53098  0.512292 0.258443  0.74867  0.358744  
1 1 1 60 35 14 f 0.633908 0.304214  -0.209859    1.11145  1.75326      1.4824   -2.73028     1.67969  0.884005 0.398153  0.575434 0.291346  
1 1 1 60 35 15 f 0.690175 0.318551  0.547912     1.0301   0.856312     1.43456  0.219629     1.48008  0.737638 0.351964  0.685163 0.333921  
1 1 1 60 36 0  o 3.67864  0.239286  14.7873      1.74341  14.7873      1.74341  14.7873      1.74341  3.76398  0.164474  ?        ?         
1 1 1 60 36 1  o 0.797723 0.337395  0.641827     0.928758 0.301536     1.29696  1.00001      1.33061  0.797957 0.363926  0.90459  0.393642  
1 1 1 60 36 2  o 2.45165  0.207648  6.75562      1.01816  7.4357       1.47665  6.13927      1.40576  2.42438  0.304543  2.17421  0.32328   
1 1 1 60 36 3  o 0.972296 0.365065  1.36007      0.961267 1.60434      1.44141  1.16442      1.29003  1.00526  0.422506  0.927201 0.395108  
1 1 1 60 36 4  o 0.863521 0.354983  0.94267      0.984867 1.159        1.4969   0.777545     1.3078   0.928443 0.410224  0.859648 0.381168  
1 1 1 60 36 5  o 0.900076 0.359653  1.14601      0.97633  1.38276      1.50811  0.975196     1.281    0.946639 0.415449  0.87709  0.383922  
1 1 1 60 36 6  o 2.07221  0.262503  5.31174      1.08792  5.88664      1.57062  4.7815       1.50838  1.91029  0.422356  1.66061  0.445025  
1 1 1 60 36 7  o 1.43326  0.366694  3.14534      1.05548  5.36303      1.46609  0.759232     1.52075  1.81728  0.41269   0.832366 0.385273  
1 1 1 60 36 8  o 0.75953  0.338991  0.58141      1.05242  -0.898244    1.42595  2.35176      1.55974  0.658918 0.322474  1.03903  0.438233  
1 1 1 60 36 9  o 0.656241 0.306585  -0.00258707  0.991916 -0.212021    1.32137  0.267789     1.50136  0.69168  0.331881  0.759208 0.361651  
1 1 1 60 36 10 o 0.539111 0.265007  -1.04873     0.983859 -1.93236     1.3103   0.0933572    1.48966  0.558848 0.279407  0.736628 0.35319   
1 1 1 60 36 11 o 0.716407 0.32898   0.316955     1.08214  0.868543     1.44022  -0.398178    1.6399   0.819866 0.377744  0.720053 0.351026  
1 1 1 60 36 12 o 0.977698 0.389198  1.86148      1.13936  1.62705      1.58831  2.10998      1.63532  0.886678 0.403943  0.943542 0.421803  
1 1 1 60 36 13 o 0.578742 0.282529  -0.564371    1.07586  -1.08803     1.38938  0.219862     1.70027  0.594154 0.295724  0.709059 0.348492  
1 1 1 60 37 0  o 0.774622 0.480602  1.39795      1.44734  1.39795      1.44734  1.39795      1.44734  0.814925 0.446     ?        ?         
1 1 1 60 37 1  o 0.601794 0.287284  -0.463703    0.958672 -1.78966     1.43067  0.61686      1.29152  0.608089 0.302302  0.801567 0.364924  
1 1 1 60 37 2  o 2.47032  0.218352  7.14919      1.0788   6.89848      1.65012  7.33634      1.42568  2.08161  0.410986  2.35252  0.303012  
1 1 1 60 37 3  o 0.966817 0.36415   1.50872      0.957928 1.96427      1.41721  1.12551      1.29982  1.00663  0.420793  0.87159  0.38405   
1 1 1 60 37 4  o 0.743793 0.33013   0.518044     0.984326 0.0565069    1.49701  0.869564     1.30646  0.752584 0.359202  0.828385 0.373403  
1 1 1 60 37 5  o 0.743406 0.32501   0.579401     0.915732 1.58897      1.31912  -0.359679    1.27223  0.93546  0.39911   0.67577  0.324587  
1 1 1 60 37 6  o 0.976526 0.363605  1.59623      0.949667 0.0688235    1.31181  3.27823      1.37659  0.719885 0.340606  1.27143  0.441688  
1 1 1 60 37 7  o 0.522375 0.257491  -1.20966     0.971409 -2.92744     1.40811  0.350259     1.34185  0.53074  0.268337  0.746507 0.350473  
1 1 1 60 37 8  o 1.01617  0.374014  1.81123      0.999624 1.65179      1.45452  1.95394      1.3761   0.918042 0.405163  0.974552 0.411362  
1 1 1 60 37 9  o 0.914035 0.368224  1.41446      1.03536  1.99903      1.50379  0.887612     1.42762  0.972555 0.420769  0.820898 0.377341  
1 1 1 60 37 10 o 0.699994 0.318705  0.37302      0.985473 -0.69116     1.37726  1.48948      1.41068  0.648655 0.317327  0.880964 0.39285   
1 1 1 60 37 11 o 0.705206 0.321392  0.537157     1.00754  1.05503      1.40483  -0.0113595   1.4458   0.785642 0.366192  0.686142 0.333324  
1 1 1 60 37 12 o 0.568897 0.275761  -0.412331    0.980079 -1.29652     1.39637  0.446185     1.37594  0.57647  0.288235  0.697383 0.335598  
1 1 1 60 38 0  o 0.481411 0.347866  -1.18838     1.5287   -1.18838     1.5287   -1.18838     1.5287   0.396915 0.287372  ?        ?         
1 1 1 60 38 1  o 1.69066  0.317095  4.00933      1.03263  5.54108      1.46924  2.51406      1.45164  1.81003  0.414571  1.06802  0.433651  
1 1 1 60 38 2  o 1.41948  0.360906  3.14777      1.0272   2.23835      1.40911  4.17908      1.50056  1.02274  0.423041  1.41834  0.461814  
1 1 1 60 38 3  o 1.7404   0.317837  4.27489      1.06525  4.35623      1.50688  4.19363      1.5061   1.45115  0.461949  1.41057  0.462667  
1 1 1 60 38 4  o 1.47791  0.358338  3.38968      1.04973  2.51831      1.49295  4.2417       1.47628  1.05067  0.43507   1.4408   0.457091  
1 1 1 60 38 5  o 1.77001  0.293321  4.21116      1.03836  5.15606      1.47935  3.29357      1.45781  1.69204  0.434849  1.22597  0.451627  
1 1 1 60 38 6  o 0.692017 0.320183  0.181222     1.04896  0.88124      1.57688  -0.374411    1.40488  0.825775 0.386087  0.689222 0.333293  
1 1 1 60 38 7  o 0.54631  0.268386  -1.03207     1.00659  -1.02925     1.47845  -1.0345      1.37432  0.646904 0.318588  0.628332 0.309477  
1 1 1 60 38 8  o 1.00793  0.382594  1.92264      1.06402  1.98047      1.53749  1.86949      1.47403  0.933423 0.413658  0.924558 0.407977  
1 1 1 60 38 9  o 0.661593 0.310177  0.218312     1.03786  -1.19512     1.42941  1.79428      1.50935  0.600966 0.299231  0.865421 0.39413   
1 1 1 60 38 10 o 0.885437 0.362306  1.6334       1.02119  2.59829      1.45736  0.702653     1.43135  0.9514   0.412955  0.723427 0.346703  
1 1 1 60 39 0  o 0.659429 0.433053  0.817881     1.38215  0.817881     1.38215  0.817881     1.38215  0.643612 0.397083  ?        ?         
1 1 1 60 39 1  o 0.763005 0.332968  0.705441     0.957479 0.171021     1.35037  1.24578      1.35782  0.730855 0.345692  0.86375  0.385289  
1 1 1 60 39 2  o 0.712056 0.322698  0.404775     0.988822 0.144455     1.34127  0.714719     1.46353  0.724947 0.343664  0.796255 0.372155  
1 1 1 60 39 3  o 0.803936 0.34572   0.935202     1.00361  -0.302281    1.39524  2.26197      1.4447   0.686618 0.332054  1.00934  0.423546  
1 1 1 60 39 4  o 1.24602  0.388026  2.74357      1.06955  1.39018      1.48937  4.18473      1.5369   0.864987 0.393283  1.36538  0.467373  
1 1 1 60 39 5  o 0.703001 0.321437  0.405718     1.02078  1.85109      1.44655  -1.02789     1.44065  0.917677 0.40465   0.629155 0.31095   
1 1 1 60 39 6  o 0.762904 0.336956  0.876676     1.00867  -1.735       1.39225  3.76188      1.46335  0.567439 0.283996  1.23206  0.452618  
1 1 1 60 39 7  o 0.53908  0.265531  -0.805492    1.00484  -0.748271    1.39061  -0.868015    1.45361  0.60822  0.301771  0.60973  0.303339  
1 1 1 60 40 0  o 0.48105  0.346943  -0.791126    1.48371  -0.791126    1.48371  -0.791126    1.48371  0.408068 0.293965  ?        ?         
1 1 1 60 40 1  o 0.879389 0.357961  1.5229       0.991638 2.16169      1.42602  0.924763     1.37989  0.911327 0.40182   0.755797 0.354937  
1 1 1 60 40 2  f 0.685845 0.316824  0.495022     1.02182  -0.183329    1.45735  1.15097      1.43309  0.65819  0.323217  0.772673 0.362655  
1 1 1 60 40 3  o 0.608985 0.292321  -0.112061    1.02774  0.277654     1.46334  -0.491411    1.44375  0.688687 0.334805  0.631719 0.311992  
1 1 1 60 40 4  o 0.711801 0.324763  0.694699     1.03511  2.3806       1.50095  -0.834278    1.42939  0.909241 0.405348  0.608365 0.302402  
1 1 1 61 0  0  o 2.64088  0.202239  7.1286       1.05378  7.1286       1.05378  7.1286       1.05378  2.65571  0.1412    ?        ?         
1 1 1 61 0  1  o 0.756787 0.379442  0.860945     0.697187 0.860945     0.697187 0.860945     0.697187 0.780369 0.320902  ?        ?         
1 1 1 61 0  2  o 0.762827 0.377005  0.874126     0.684413 0.874126     0.684413 0.874126     0.684413 0.790703 0.316697  ?        ?         
1 1 1 61 0  3  o 0.459869 0.302864  -0.067402    0.682327 -0.067402    0.682327 -0.067402    0.682327 0.38258  0.25298   ?        ?         
1 1 1 61 0  4  o 0.624909 0.358223  0.522501     0.698613 0.522501     0.698613 0.522501     0.698613 0.594928 0.314261  ?        ?         
1 1 1 61 0  5  o 0.535516 0.334774  0.210564     0.715726 0.210564     0.715726 0.210564     0.715726 0.470949 0.288118  ?        ?         
1 1 1 61 0  6  o 3.33849  0.129967  11.2209      0.864799 11.2209      0.864799 11.2209      0.864799 3.34417  0.0915838 ?        ?         
1 1 1 61 0  7  o 2.71966  0.15676   7.49481      0.846188 7.49481      0.846188 7.49481      0.846188 2.72878  0.110043  ?        ?         
1 1 1 61 0  8  f 2.89099  0.156142  8.45954      0.896792 8.45954      0.896792 8.45954      0.896792 2.89986  0.109694  ?        ?         
1 1 1 61 0  9  o 1.21007  0.364516  1.83341      0.767688 1.83341      0.767688 1.83341      0.767688 1.29184  0.232698  ?        ?         
1 1 1 61 0  10 o 5.14164  0.110087  26.5224      1.13088  26.5224      1.13088  26.5224      1.13088  5.14581  0.0777396 ?        ?         
1 1 1 61 0  11 o 2.56394  0.155985  6.67215      0.793088 6.67215      0.793088 6.67215      0.793088 2.57358  0.109403  ?        ?         
1 1 1 61 0  12 f 1.03104  0.403653  1.48778      0.792838 1.48778      0.792838 1.48778      0.792838 1.11661  0.29112   ?        ?         
1 1 1 61 0  13 o 0.917377 0.421543  1.26043      0.841227 1.26043      0.841227 1.26043      0.841227 0.976849 0.338241  ?        ?         
1 1 1 61 0  14 o 3.89338  0.127638  15.2521      0.99147  15.2521      0.99147  15.2521      0.99147  3.89939  0.0900039 ?        ?         
1 1 1 61 0  15 f 1.99181  0.22056   4.14739      0.854057 4.14739      0.854057 4.14739      0.854057 2.0151   0.151828  ?        ?         
1 1 1 61 0  16 o 3.73356  0.131654  14.0398      0.9803   14.0398      0.9803   14.0398      0.9803   3.74025  0.0927935 ?        ?         
1 1 1 61 0  17 o 0.39886  0.280678  -0.743055    0.814964 -0.743055    0.814964 -0.743055    0.814964 0.308806 0.221492  ?        ?         
1 1 1 61 0  18 o 2.77792  0.172987  7.86407      0.952546 7.86407      0.952546 7.86407      0.952546 2.79126  0.121173  ?        ?         
1 1 1 61 0  19 o 3.13809  0.168154  10.0105      1.04844  10.0105      1.04844  10.0105      1.04844  3.1511   0.118011  ?        ?         
1 1 1 61 0  20 o 4.22878  0.141185  18.0489      1.19107  18.0489      1.19107  18.0489      1.19107  4.2386   0.099474  ?        ?         
1 1 1 61 0  21 o 0.692826 0.411476  0.621074     0.973063 0.621074     0.973063 0.621074     0.973063 0.64979  0.36186   ?        ?         
1 1 1 61 0  22 o 1.03898  0.461498  1.65153      1.00652  1.65153      1.00652  1.65153      1.00652  1.12764  0.359432  ?        ?         
1 1 1 61 0  23 o 0.463649 0.324752  -0.841859    1.0661   -0.841859    1.0661   -0.841859    1.0661   0.363809 0.259227  ?        ?         
1 1 1 61 0  24 o 0.812108 0.454687  1.03034      1.0943   1.03034      1.0943   1.03034      1.0943   0.808341 0.400641  ?        ?         
1 1 1 61 0  25 o 0.745389 0.441654  0.78495      1.11665  0.78495      1.11665  0.78495      1.11665  0.711089 0.391013  ?        ?         
1 1 1 61 0  26 o 0.478084 0.332374  -0.656964    1.06452  -0.656964    1.06452  -0.656964    1.06452  0.381677 0.268922  ?        ?         
1 1 1 61 0  27 o 1.04801  0.479487  1.7874       1.08784  1.7874       1.08784  1.7874       1.08784  1.15244  0.377828  ?        ?         
1 1 1 61 0  28 o 0.45855  0.326198  -1.10479     1.17983  -1.10479     1.17983  -1.10479     1.17983  0.359703 0.259523  ?        ?         
1 1 1 61 0  29 o 0.48184  0.335597  -0.630826    1.10663  -0.630826    1.10663  -0.630826    1.10663  0.389138 0.274183  ?        ?         
1 1 1 61 0  30 o 0.526928 0.360336  -0.277373    1.13321  -0.277373    1.13321  -0.277373    1.13321  0.440482 0.3017    ?        ?         
1 1 1 61 0  31 o 0.656495 0.424561  0.538992     1.26659  0.538992     1.26659  0.538992     1.26659  0.609477 0.3781    ?        ?         
1 1 1 61 0  32 o 0.602354 0.399068  0.311792     1.20819  0.311792     1.20819  0.311792     1.20819  0.545429 0.351321  ?        ?         
1 1 1 61 0  33 o 0.433509 0.313908  -1.40295     1.31437  -1.40295     1.31437  -1.40295     1.31437  0.347087 0.253838  ?        ?         
1 1 1 61 0  34 o 0.586733 0.402652  0.231887     1.44226  0.231887     1.44226  0.231887     1.44226  0.534321 0.357543  ?        ?         
1 1 1 61 1  0  o 5.559    0.103315  30.9756      1.14776  30.9756      1.14776  30.9756      1.14776  5.5623   0.0729828 ?        ?         
1 1 1 61 1  1  o 5.76735  0.0766931 33.3112      0.884632 32.4348      1.27674  34.1205      1.22687  5.68622  0.112266  5.83323  0.105162  
1 1 1 61 1  2  o 2.44076  0.113259  5.97667      0.552877 6.79212      0.797384 5.22168      0.767257 2.59847  0.153433  2.27697  0.168482  
1 1 1 61 1  3  o 3.61095  0.0868244 13.0643      0.627037 12.2255      0.875824 13.9463      0.898125 3.48946  0.125496  3.72755  0.120471  
1 1 1 61 1  4  o 1.93485  0.136703  3.76215      0.529    3.74154      0.746647 3.78293      0.7496   1.92481  0.193953  1.93546  0.193649  
1 1 1 61 1  5  o 3.97695  0.0838592 15.8466      0.667008 16.0369      0.950283 15.6618      0.936451 3.99695  0.118876  3.94997  0.118539  
1 1 1 61 1  6  o 3.88042  0.0862494 15.0891      0.669368 14.606       0.920792 15.6305      0.97477  3.81406  0.12071   3.94517  0.12354   
1 1 1 61 1  7  o 5.36165  0.0786067 28.7985      0.842923 29.6092      1.18013  27.9542      1.20439  5.43225  0.108623  5.27733  0.114109  
1 1 1 61 1  8  o 3.45198  0.0893119 11.9445      0.616606 12.6198      0.886975 11.313       0.857782 3.5442   0.12513   3.35534  0.127823  
1 1 1 61 1  9  o 2.84665  0.100122  8.12861      0.570026 8.08049      0.817959 8.17404      0.794815 2.83344  0.14434   2.85041  0.139421  
1 1 1 61 1  10 o 2.41325  0.111714  5.84736      0.539187 5.11756      0.752703 6.61654      0.772744 2.25187  0.167128  2.56269  0.150768  
1 1 1 61 1  11 o 2.22501  0.125306  4.97763      0.557614 4.75751      0.787592 5.19887      0.789584 2.1687   0.181581  2.26811  0.174062  
1 1 1 61 1  12 o 5.01239  0.0839822 25.1879      0.841904 25.0733      1.19775  25.2999      1.18364  4.99432  0.119911  5.01726  0.117957  
1 1 1 61 1  13 o 4.37621  0.0890473 19.2055      0.77938  18.7329      1.08192  19.7153      1.12368  4.31592  0.125341  4.42733  0.126903  
1 1 1 61 1  14 o 2.86931  0.109203  8.27083      0.626675 8.63591      0.895667 7.92072      0.877128 2.92546  0.153081  2.80113  0.156567  
1 1 1 61 1  15 o 2.03556  0.149485  4.18059      0.608572 4.58686      0.871889 3.79462      0.849837 2.12372  0.205274  1.92919  0.220258  
1 1 1 61 1  16 o 2.19169  0.136373  4.84364      0.597776 4.12882      0.841087 5.57325      0.849746 2.01226  0.208991  2.3435   0.181299  
1 1 1 61 1  17 o 0.721349 0.281738  0.351127     0.587832 0.721565     0.84505  0.00382337   0.818238 0.919207 0.342848  0.725836 0.31215   
1 1 1 61 1  18 o 1.14417  0.27922   1.41653      0.634203 1.2777       0.907667 1.54897      0.886504 1.10147  0.359174  1.1916   0.349497  
1 1 1 61 1  19 o 1.47619  0.223168  2.24248      0.658879 2.57122      0.934143 1.91703      0.929465 1.53492  0.315125  1.31481  0.347973  
1 1 1 61 1  20 o 2.5088   0.141956  6.37281      0.712278 6.39491      1.00552  6.35055      1.00911  2.49727  0.201325  2.48814  0.202784  
1 1 1 61 1  21 o 0.993594 0.309589  1.05837      0.680722 1.05493      0.948418 1.06204      0.977619 1.02842  0.365688  1.03556  0.370969  
1 1 1 61 1  22 o 1.37728  0.269602  2.05876      0.716149 1.33881      1.02566  2.74366      1.00039  1.11797  0.381807  1.5689   0.329313  
1 1 1 61 1  23 o 1.39005  0.290215  2.12338      0.780501 2.22215      1.10336  2.02445      1.10423  1.38897  0.38441   1.32766  0.390272  
1 1 1 61 1  24 o 1.5246   0.249755  2.4519       0.761554 2.62268      1.10693  2.29843      1.04937  1.50407  0.370028  1.4082   0.368386  
1 1 1 61 1  25 o 1.11371  0.336392  1.41708      0.812114 1.8169       1.1209   0.975302     1.17825  1.24036  0.398778  1.02203  0.398938  
1 1 1 61 1  26 o 2.72039  0.151927  7.60573      0.8266   8.95228      1.178    6.29959      1.16018  2.92183  0.201585  2.42834  0.238884  
1 1 1 61 1  27 o 1.31803  0.295827  1.9974       0.760595 2.87814      1.06632  1.08518      1.08522  1.55102  0.351769  1.01174  0.385698  
1 1 1 61 1  28 o 1.67329  0.245509  3.06302      0.821616 2.78658      1.1092   3.3991       1.223    1.48924  0.372886  1.64499  0.379238  
1 1 1 61 1  29 f 0.892104 0.333896  0.88566      0.802875 1.81082      1.1783   0.0838607    1.09694  1.15953  0.408077  0.777158 0.346493  
1 1 1 61 1  30 o 0.842141 0.326242  0.768788     0.784885 1.2492       1.11607  0.298695     1.10402  0.994441 0.388247  0.800575 0.353197  
1 1 1 61 1  31 o 0.796895 0.334141  0.617246     0.898008 -0.472668    1.24047  1.81741      1.30169  0.702704 0.331881  1.07708  0.419542  
1 1 1 61 1  32 o 1.41454  0.331425  2.71718      0.9222   2.82876      1.34352  2.61779      1.26811  1.2779   0.436983  1.24652  0.424542  
1 1 1 61 1  33 o 1.02377  0.370301  1.79744      0.976178 1.94636      1.32089  1.61822      1.44904  0.988079 0.409197  0.919439 0.405268  
1 1 1 61 1  34 o 1.51339  0.37945   3.81066      1.14741  2.29016      1.57019  5.55298      1.68083  0.969604 0.424731  1.57589  0.485565  
1 1 1 61 2  0  o 3.41727  0.127652  11.752       0.869682 11.752       0.869682 11.752       0.869682 3.42273  0.0899749 ?        ?         
1 1 1 61 2  1  o 6.30971  0.0778181 39.8774      0.982019 39.8047      1.40349  39.947       1.37454  6.29866  0.111412  6.31037  0.108911  
1 1 1 61 2  2  o 5.87768  0.0793712 34.6064      0.933036 37.0096      1.41034  32.736       1.24424  6.0725   0.116125  5.71239  0.108907  
1 1 1 61 2  3  o 3.85635  0.0847872 14.901       0.653939 15.0689      0.931949 14.7381      0.91783  3.87421  0.120276  3.8315   0.119774  
1 1 1 61 2  4  o 3.82772  0.0856598 14.6816      0.655763 15.0524      0.951742 14.3464      0.904815 3.87162  0.122913  3.78014  0.11968   
1 1 1 61 2  5  o 4.28857  0.0818127 18.4271      0.701719 18.686       0.971781 18.1449      1.01435  4.31497  0.112606  4.2511   0.119304  
1 1 1 61 2  6  o 6.72735  0.076933  45.3358      1.03511  44.4962      1.4663   46.1698      1.46145  6.65881  0.110103  6.78338  0.107723  
1 1 1 61 2  7  o 7.1312   0.077728  50.9467      1.10859  52.6415      1.56044  49.2196      1.57522  7.24281  0.107724  7.00235  0.112478  
1 1 1 61 2  8  o 6.23149  0.0769064 38.9031      0.958482 36.4494      1.42455  40.9328      1.2956   6.02412  0.118237  6.38757  0.101416  
1 1 1 61 2  9  o 0.739795 0.264284  0.48146      0.495874 1.07454      0.767274 0.0560626    0.649815 1.02707  0.329904  0.668156 0.282387  
1 1 1 61 2  10 o 2.78372  0.103599  7.77781      0.576779 7.17662      0.824411 8.35421      0.807237 2.66785  0.154509  2.88053  0.14012   
1 1 1 61 2  11 o 2.67807  0.107508  7.20196      0.575827 7.74604      0.824211 6.68318      0.804819 2.77208  0.148663  2.5738   0.156349  
1 1 1 61 2  12 o 1.9067   0.149184  3.66446      0.5689   3.88344      0.799847 3.44025      0.809329 1.95593  0.204467  1.83877  0.220073  
1 1 1 61 2  13 f 4.40951  0.0887675 19.5016      0.782842 18.4287      1.04207  20.8916      1.18606  4.28085  0.121713  4.55611  0.130162  
1 1 1 61 2  14 o 2.33396  0.127667  5.48268      0.595937 4.87193      0.826509 6.14401      0.860057 2.19174  0.188551  2.46376  0.174541  
1 1 1 61 2  15 o 1.1888   0.247333  1.50084      0.568589 1.44395      0.798326 1.5594       0.810014 1.15882  0.329052  1.20149  0.327987  
1 1 1 61 2  16 o 2.34075  0.13091   5.52583      0.612854 4.13834      0.852351 7.01089      0.881811 2.01211  0.211805  2.62961  0.16767   
1 1 1 61 2  17 o 1.86951  0.169922  3.54711      0.635342 4.10236      0.924344 3.04987      0.874726 1.99798  0.231319  1.71784  0.2546    
1 1 1 61 2  18 o 1.54336  0.211019  2.44256      0.651357 3.07125      0.931202 1.84028      0.911433 1.71665  0.271226  1.28995  0.346041  
1 1 1 61 2  19 o 3.11413  0.119464  9.78098      0.744052 9.75028      1.05348  9.81154      1.05102  3.09563  0.170157  3.10564  0.169211  
1 1 1 61 2  20 o 2.61051  0.140186  6.90156      0.731915 6.67688      1.04132  7.12092      1.02896  2.54953  0.204218  2.63597  0.195177  
1 1 1 61 2  21 o 0.542239 0.253613  -0.591803    0.681186 -0.957748    0.956758 -0.215608    0.970064 0.620159 0.29247   0.736002 0.327067  
1 1 1 61 2  22 o 1.22211  0.303714  1.6573       0.740031 1.73415      1.03421  1.57666      1.05937  1.23828  0.380747  1.19076  0.38803   
1 1 1 61 2  23 o 0.726004 0.309845  0.100019     0.795478 -0.567048    1.15039  0.711238     1.10118  0.744553 0.340769  0.960238 0.382503  
1 1 1 61 2  24 o 2.38092  0.167342  5.81252      0.796857 4.89948      1.11723  6.75795      1.13688  2.14857  0.259994  2.5426   0.223566  
1 1 1 61 2  25 o 2.49099  0.168742  6.39977      0.840667 5.85169      1.19765  6.93209      1.1803   2.33566  0.256384  2.55873  0.230642  
1 1 1 61 2  26 o 1.30494  0.306156  1.96298      0.78611  3.29308      1.08007  0.464667     1.14634  1.68331  0.332655  0.891592 0.375855  
1 1 1 61 2  27 o 0.687625 0.299699  0.0482656    0.773699 0.101287     1.04732  -0.0154337   1.14794  0.7887   0.346172  0.797856 0.355125  
1 1 1 61 2  28 o 0.946972 0.331096  1.0389       0.774592 1.53956      1.08322  0.515005     1.10808  1.10439  0.391003  0.865587 0.367434  
1 1 1 61 2  29 o 0.848363 0.33089   0.741534     0.810253 0.937439     1.19186  0.573198     1.10482  0.949812 0.390492  0.863215 0.366677  
1 1 1 61 2  30 o 0.818524 0.329508  0.688532     0.82823  0.12539      1.17901  1.23718      1.16373  0.779496 0.352861  0.980136 0.392234  
1 1 1 61 2  31 o 0.526617 0.256639  -1.08134     0.873854 -0.758422    1.21516  -1.42719     1.25757  0.663981 0.318511  0.616453 0.301959  
1 1 1 61 2  32 o 1.4704   0.339496  3.07339      0.978926 2.4068       1.35748  3.79564      1.41302  1.1253   0.43068   1.4503   0.444867  
1 1 1 61 2  33 o 0.958488 0.365457  1.58302      0.974434 2.8131       1.33186  0.166143     1.42942  1.16099  0.430936  0.736931 0.351557  
1 1 1 61 2  34 o 0.708339 0.327773  0.576921     1.09969  0.0794548    1.52266  1.1193       1.58991  0.688442 0.336088  0.777057 0.370716  
1 1 1 61 3  0  o 2.29115  0.197627  5.39368      0.890086 5.39368      0.890086 5.39368      0.890086 2.30721  0.137514  ?        ?         
1 1 1 61 3  1  o 6.36102  0.0775631 40.5317      0.986762 40.0317      1.3827   41.0507      1.40865  6.31641  0.109453  6.39617  0.110116  
1 1 1 61 3  2  o 0.645946 0.26419   0.15871      0.542734 -0.904119    0.768537 1.21605      0.766551 0.549923 0.260433  1.08091  0.326887  
1 1 1 61 3  3  o 3.47648  0.0865811 12.1121      0.601994 12.3275      0.864378 11.9091      0.838891 3.50342  0.123362  3.44364  0.121803  
1 1 1 61 3  4  o 1.98339  0.130712  3.95354      0.518504 3.71605      0.721567 4.2071       0.745572 1.91784  0.18812   2.04122  0.182629  
1 1 1 61 3  5  o 4.78824  0.075463  22.9663      0.72267  22.9185      1.01839  23.0147      1.02567  4.77925  0.106543  4.78919  0.107082  
1 1 1 61 3  6  o 4.61897  0.0754519 21.3722      0.69702  21.503       1.00183  21.2494      0.970394 4.62881  0.108217  4.60185  0.105435  
1 1 1 61 3  7  o 4.14632  0.0776585 17.2247      0.643994 18.4174      0.916437 16.0612      0.905157 4.28374  0.106967  3.99949  0.113159  
1 1 1 61 3  8  o 2.33512  0.113953  5.47607      0.53219  5.03877      0.737718 5.95061      0.768484 2.23461  0.165067  2.42929  0.158171  
1 1 1 61 3  9  o 4.5061   0.0831402 20.3536      0.749276 19.3991      1.0849   21.2241      1.03606  4.39274  0.123488  4.59677  0.112694  
1 1 1 61 3  10 o 3.97461  0.0879387 15.8416      0.699043 15.0193      0.978351 16.6993      0.999171 3.86425  0.12659   4.07538  0.122586  
1 1 1 61 3  11 o 3.38625  0.0981638 11.5062      0.664815 10.8249      0.900567 12.3223      0.98555  3.27896  0.137325  3.49779  0.140882  
1 1 1 61 3  12 o 3.18669  0.100809  10.1935      0.642496 9.29546      0.879182 11.2228      0.941243 3.03694  0.144748  3.33762  0.141005  
1 1 1 61 3  13 f 2.18483  0.135024  4.80796      0.590009 5.17061      0.811055 4.40033      0.859882 2.25951  0.179476  2.08015  0.206688  
1 1 1 61 3  14 o 1.78628  0.158286  3.22306      0.565489 2.68772      0.776566 3.82738      0.825082 1.62055  0.2396    1.93853  0.212811  
1 1 1 61 3  15 o 2.41155  0.127826  5.86076      0.61652  5.79543      0.852007 5.93257      0.893236 2.38945  0.178285  2.41622  0.184842  
1 1 1 61 3  16 o 1.53484  0.197075  2.40202      0.604954 2.3494       0.85053  2.4559       0.860629 1.47607  0.298542  1.51113  0.295296  
1 1 1 61 3  17 o 3.49834  0.103692  12.3109      0.725502 11.7275      1.04111  12.8616      1.01156  3.40259  0.152988  3.56654  0.141812  
1 1 1 61 3  18 o 0.797958 0.29735   0.537021     0.635354 0.3537       0.907901 0.712961     0.889435 0.836031 0.341776  0.923487 0.350016  
1 1 1 61 3  19 o 1.47766  0.224052  2.25165      0.662146 1.66974      0.947171 2.80786      0.926019 1.22771  0.361632  1.60895  0.298956  
1 1 1 61 3  20 o 0.524389 0.246496  -0.669712    0.668905 -0.538112    0.952695 -0.797663    0.939394 0.678264 0.310296  0.634631 0.297098  
1 1 1 61 3  21 f 1.65743  0.215007  2.84229      0.71272  2.6083       1.01489  3.06998      1.00113  1.52387  0.341507  1.6707   0.311215  
1 1 1 61 3  22 o 2.0084   0.194777  4.15137      0.78238  3.94409      1.13085  4.34168      1.08357  1.92299  0.294033  2.02871  0.26706   
1 1 1 61 3  23 o 2.01495  0.199625  4.20184      0.804468 3.96419      1.13068  4.44548      1.14483  1.91951  0.294523  2.03931  0.280691  
1 1 1 61 3  24 o 1.14466  0.319244  1.49032      0.758067 1.15406      1.06258  1.83888      1.08182  1.05213  0.385771  1.25073  0.390397  
1 1 1 61 3  25 o 0.902942 0.329268  0.828623     0.773197 0.586491     1.11896  1.04988      1.06963  0.914392 0.377527  1.01217  0.383777  
1 1 1 61 3  26 o 1.87364  0.212807  3.7134       0.797448 2.98715      1.10552  4.50118      1.1514   1.57968  0.358113  2.0191   0.285127  
1 1 1 61 3  27 f 3.57801  0.126573  13.1088      0.905758 14.5712      1.22248  11.3289      1.34866  3.74373  0.163271  3.26383  0.206607  
1 1 1 61 3  28 o 1.428    0.284311  2.38655      0.783191 2.46493      1.09809  2.3054       1.11736  1.36814  0.385093  1.31481  0.394066  
1 1 1 61 3  29 o 0.947716 0.334491  1.084        0.792179 0.105544     1.11318  2.08793      1.12758  0.779108 0.348159  1.23266  0.400327  
1 1 1 61 3  30 o 1.76298  0.257132  3.62116      0.906636 4.00044      1.28725  3.2478       1.27716  1.6897   0.388754  1.47486  0.415363  
1 1 1 61 3  31 o 0.566594 0.271482  -0.70816     0.876438 -0.597965    1.20762  -0.8308      1.27398  0.675341 0.322403  0.668394 0.321959  
1 1 1 61 3  32 o 0.625038 0.2937    -0.220004    0.947932 0.133293     1.3057   -0.61374     1.3784   0.735667 0.345444  0.675444 0.327291  
1 1 1 61 3  33 o 0.779005 0.338709  0.766537     0.98361  1.14931      1.36745  0.35617      1.41588  0.853803 0.383593  0.760028 0.357658  
1 1 1 61 4  0  o 2.00423  0.22731   4.19883      0.884482 4.19883      0.884482 4.19883      0.884482 2.02769  0.156359  ?        ?         
1 1 1 61 4  1  o 8.05663  0.0819512 65.0389      1.3205   66.8632      1.92145  63.4061      1.8178   8.1603   0.117732  7.94745  0.114363  
1 1 1 61 4  2  o 1.65858  0.159073  2.77173      0.527671 3.4994       0.760703 2.09689      0.732571 1.85911  0.204588  1.41082  0.269276  
1 1 1 61 4  3  o 3.85251  0.0806957 14.8711      0.621762 15.3587      0.880668 14.3864      0.877946 3.91154  0.112573  3.78526  0.115969  
1 1 1 61 4  4  o 1.82487  0.139285  3.35         0.508353 3.51689      0.698165 3.16167      0.741643 1.8653   0.187146  1.76615  0.20996   
1 1 1 61 4  5  o 2.3668   0.109553  5.62282      0.51858  5.60361      0.739968 5.64135      0.726971 2.35804  0.156903  2.36634  0.153606  
1 1 1 61 4  6  o 3.08975  0.0921431 9.57265      0.569398 8.94364      0.771546 10.325       0.843798 2.98246  0.129347  3.2042   0.131671  
1 1 1 61 4  7  f 4.2662   0.0785208 18.238       0.669971 18.5453      0.938622 17.9189      0.956596 4.29776  0.109199  4.2239   0.113236  
1 1 1 61 4  8  o 6.31965  0.0823945 40.0333      1.04141  39.7973      1.53394  40.235       1.41839  6.29199  0.121896  6.32906  0.112054  
1 1 1 61 4  9  o 1.27664  0.245391  1.71764      0.604196 2.16414      0.945157 1.40909      0.785694 1.41485  0.338128  1.14905  0.326489  
1 1 1 61 4  10 o 4.4967   0.0901304 20.2792      0.810579 20.9058      1.15933  19.6798      1.13377  4.55898  0.127147  4.42309  0.128165  
1 1 1 61 4  11 o 4.35891  0.089829  19.0569      0.783113 18.2114      1.09546  19.9406      1.11993  4.25434  0.128746  4.45237  0.125767  
1 1 1 61 4  12 o 1.06936  0.273425  1.22179      0.587104 1.06785      0.907773 1.33247      0.769769 1.04425  0.359068  1.11829  0.324932  
1 1 1 61 4  13 o 2.06569  0.143774  4.30252      0.593987 5.06384      0.826677 3.48996      0.854041 2.23485  0.184951  1.84824  0.231041  
1 1 1 61 4  14 o 1.05838  0.263649  1.19987      0.556661 1.36891      0.788722 1.0321       0.785762 1.12952  0.329138  1.00842  0.334185  
1 1 1 61 4  15 o 1.8448   0.158369  3.44613      0.584319 3.91085      0.823786 2.97558      0.828942 1.95603  0.210576  1.69992  0.243818  
1 1 1 61 4  16 o 5.46466  0.0893633 29.9887      0.976679 31.4499      1.31028  28.1619      1.46511  5.58766  0.117248  5.27986  0.138745  
1 1 1 61 4  17 o 2.29578  0.146148  5.33539      0.671046 5.38946      0.951841 5.28197      0.94619  2.29317  0.207538  2.26995  0.208416  
1 1 1 61 4  18 o 3.32239  0.111705  11.1216      0.742253 12.2691      1.05075  9.97861      1.04866  3.47868  0.151027  3.13231  0.167395  
1 1 1 61 4  19 o 1.2419   0.270364  1.67302      0.652833 0.970373     0.918818 2.38938      0.927737 1.00032  0.35951   1.47035  0.324197  
1 1 1 61 4  20 o 3.27505  0.120421  10.8394      0.788766 10.1511      1.11907  11.519       1.11193  3.15014  0.177622  3.36069  0.165432  
1 1 1 61 4  21 o 0.842743 0.317447  0.612073     0.728005 1.64762      1.06847  -0.285228    0.9946   1.2126   0.38929   0.732139 0.328081  
1 1 1 61 4  22 o 3.5834   0.124865  13.0051      0.894881 12.62        1.30739  13.3446      1.22749  3.50281  0.186619  3.61051  0.169989  
1 1 1 61 4  23 o 3.28183  0.132859  10.9387      0.872041 10.0474      1.21804  11.8759      1.24905  3.11737  0.195363  3.39552  0.183926  
1 1 1 61 4  24 o 1.13107  0.326966  1.469        0.781388 2.31842      1.13552  0.705011     1.0769   1.38673  0.392014  0.936933 0.376329  
1 1 1 61 4  25 o 2.13355  0.190136  4.75336      0.811329 3.65703      1.16389  5.78966      1.13158  1.7716   0.34064   2.32371  0.243486  
1 1 1 61 4  26 o 0.97249  0.33513   1.06257      0.791144 1.72341      1.07156  0.27069      1.173    1.18494  0.390257  0.855369 0.370865  
1 1 1 61 4  27 o 1.99465  0.20088   4.23323      0.801371 5.95998      1.1199   2.42123      1.14721  2.33666  0.239637  1.36457  0.396733  
1 1 1 61 4  28 o 0.693391 0.300267  0.155239     0.767135 0.66203      1.0682   -0.384525    1.1024   0.876984 0.365877  0.709453 0.328245  
1 1 1 61 4  29 o 0.960698 0.333125  1.15298      0.782737 1.41569      1.10654  0.889872     1.10737  1.03395  0.390838  0.912254 0.37595   
1 1 1 61 4  30 o 1.60788  0.301123  3.24845      0.932521 4.9088       1.3403   1.69061      1.29827  1.89736  0.366274  1.0502   0.416271  
1 1 1 61 4  31 o 1.57037  0.30645   3.18569      0.928139 2.51628      1.24347  4.02781      1.39468  1.23083  0.420396  1.58703  0.429108  
1 1 1 61 4  32 o 0.912029 0.35929   1.36263      0.961681 1.31309      1.28986  1.42463      1.44304  0.88211  0.38569   0.894366 0.398119  
1 1 1 61 4  33 o 0.713258 0.324918  0.430005     1.02729  0.142781     1.49565  0.686528     1.41345  0.731538 0.35151   0.778047 0.364272  
1 1 1 61 5  0  o 2.44283  0.165016  6.07349      0.79777  6.07349      0.79777  6.07349      0.79777  2.45379  0.11553   ?        ?         
1 1 1 61 5  1  o 4.37314  0.0775476 19.1602      0.678254 18.5836      0.95417  19.7492      0.964301 4.30257  0.110884  4.43579  0.108695  
1 1 1 61 5  2  o 3.30348  0.0916696 10.9418      0.605658 10.8083      0.867453 11.0688      0.846008 3.27852  0.132293  3.31846  0.12747   
1 1 1 61 5  3  o 3.48663  0.0847985 12.1844      0.591322 12.2759      0.821933 12.0862      0.851355 3.49594  0.117555  3.46815  0.122739  
1 1 1 61 5  4  o 3.00348  0.092631  9.04589      0.55643  9.0388       0.804872 9.05237      0.770102 2.99762  0.134252  3.00063  0.128323  
1 1 1 61 5  5  o 4.98976  0.0738464 24.9428      0.736951 24.7542      1.00639  25.1608      1.08214  4.9668   0.101312  5.00623  0.108079  
1 1 1 61 5  6  o 1.93363  0.14477   3.76589      0.559862 3.73209      0.836569 3.7933       0.753466 1.91607  0.218303  1.93495  0.1947    
1 1 1 61 5  7  o 2.83661  0.105191  8.0783       0.596773 8.5296       0.944925 7.77885      0.769702 2.90672  0.162541  2.77946  0.138463  
1 1 1 61 5  8  o 2.3068   0.129692  5.35353      0.598346 5.02702      0.928805 5.58516      0.782307 2.2246   0.208757  2.35153  0.16634   
1 1 1 61 5  9  o 3.62183  0.097058  13.1619      0.703056 14.8919      1.11505  12.0202      0.905794 3.84442  0.145021  3.45632  0.131035  
1 1 1 61 5  10 o 1.24098  0.233489  1.6198       0.558231 2.38927      0.857053 1.05282      0.735688 1.49734  0.296744  1.0124   0.322827  
1 1 1 61 5  11 o 1.70002  0.169064  2.92265      0.574822 3.74083      0.901515 2.36214      0.74618  1.9133   0.235592  1.51896  0.245622  
1 1 1 61 5  12 o 3.59615  0.0980454 12.9821      0.705172 12.6972      1.07755  13.1956      0.932609 3.54681  0.151904  3.62045  0.128797  
1 1 1 61 5  13 o 4.69631  0.0897831 22.1331      0.843299 21.928       1.17112  22.3539      1.21531  4.66662  0.125479  4.7108   0.128992  
1 1 1 61 5  14 o 3.51744  0.104267  12.4394      0.733508 12.85        1.07502  12.0818      1.00336  3.56467  0.150788  3.45789  0.145082  
1 1 1 61 5  15 o 3.00468  0.110691  9.08496      0.665181 9.18035      0.910666 8.97586      0.973935 3.01224  0.151161  2.97552  0.163658  
1 1 1 61 5  16 o 3.34914  0.110811  11.2949      0.742244 10.5508      0.987604 12.2607      1.12518  3.22673  0.153035  3.47566  0.161866  
1 1 1 61 5  17 o 3.50487  0.105612  12.3652      0.740311 13.6259      1.05414  11.1383      1.03992  3.66898  0.143656  3.31334  0.156929  
1 1 1 61 5  18 f 1.29393  0.261604  1.80215      0.653317 1.50537      0.914495 2.11151      0.933663 1.17076  0.357638  1.37726  0.340454  
1 1 1 61 5  19 o 1.7662   0.195631  3.20179      0.691048 3.17668      0.983857 3.22624      0.970851 1.73489  0.283551  1.75037  0.277328  
1 1 1 61 5  20 o 1.09169  0.308437  1.31558      0.703146 1.87741      1.01656  0.800213     0.973627 1.28557  0.373361  0.957784 0.365271  
1 1 1 61 5  21 o 0.711698 0.299581  0.146316     0.726526 1.44757      1.03199  -1.13236     1.023    1.14922  0.382982  0.625656 0.29822   
1 1 1 61 5  22 o 1.62916  0.235998  2.78361      0.76896  3.37186      1.12751  2.27208      1.05142  1.72947  0.338027  1.40001  0.369904  
1 1 1 61 5  23 o 1.98388  0.2011    4.09047      0.797914 4.39635      1.09229  3.74048      1.16839  2.0267   0.269474  1.81764  0.333882  
1 1 1 61 5  24 o 1.04226  0.329407  1.23795      0.767244 2.18344      1.11974  0.401196     1.05339  1.33946  0.392767  0.860377 0.36138   
1 1 1 61 5  25 o 0.731396 0.306933  0.24433      0.758768 0.0108722    1.07887  0.472829     1.06735  0.789148 0.348524  0.872609 0.365     
1 1 1 61 5  26 o 0.726885 0.309725  0.204329     0.792623 -0.731179    1.08331  1.28211      1.16278  0.674064 0.31618   1.05982  0.400637  
1 1 1 61 5  27 o 0.887186 0.330096  0.855636     0.782408 1.67563      1.05612  -0.141859    1.16483  1.14045  0.387435  0.766931 0.348461  
1 1 1 61 5  28 o 0.742829 0.309154  0.384365     0.759788 -0.623342    1.05586  1.46651      1.09416  0.661418 0.310591  1.06583  0.391397  
1 1 1 61 5  29 o 1.11039  0.343313  1.64124      0.839278 1.27304      1.1315   2.09159      1.25137  0.984777 0.38916   1.17743  0.419914  
1 1 1 61 5  30 o 1.33098  0.350191  2.44923      0.944839 2.33108      1.35884  2.55982      1.31467  1.17842  0.435703  1.24417  0.431695  
1 1 1 61 5  31 o 0.547782 0.266676  -0.935342    0.934557 -0.99245     1.23801  -0.859685    1.42495  0.625288 0.304858  0.675614 0.328976  
1 1 1 61 5  32 o 1.32487  0.350745  2.72123      0.944146 4.17555      1.29637  1.07846      1.3778   1.54673  0.411688  0.836327 0.379722  
1 1 1 61 5  33 o 0.642133 0.305265  0.0263389    1.06492  -0.143412    1.54498  0.179988     1.46988  0.682883 0.334544  0.699872 0.338871  
1 1 1 61 6  0  o 10.5844  0.132062  112.404      2.79462  112.404      2.79462  112.404      2.79462  10.5931  0.0932888 ?        ?         
1 1 1 61 6  1  o 3.21069  0.092529  10.3377      0.594165 10.513       0.852927 10.1725      0.828171 3.23297  0.131911  3.18043  0.130198  
1 1 1 61 6  2  o 2.82746  0.104945  8.0239       0.593454 7.92065      0.817959 8.13867      0.86234  2.80432  0.145839  2.84182  0.151723  
1 1 1 61 6  3  f 1.98985  0.134067  3.9836       0.533544 3.82144      0.744873 4.15446      0.764603 1.94266  0.191714  2.02594  0.188704  
1 1 1 61 6  4  o 4.61181  0.0788709 21.3147      0.727476 21.2245      1.00719  21.413       1.05188  4.59737  0.109539  4.61697  0.113915  
1 1 1 61 6  5  o 3.08758  0.100183  9.56726      0.618643 9.19951      0.929041 9.86025      0.829229 3.02027  0.153801  3.13026  0.132454  
1 1 1 61 6  6  o 1.62789  0.169752  2.67756      0.552676 2.48358      0.875698 2.80598      0.712504 1.52774  0.297205  1.66131  0.214441  
1 1 1 61 6  7  o 6.58941  0.0813528 43.5235      1.07213  42.4599      1.59263  44.4049      1.44986  6.49849  0.122539  6.64941  0.109021  
1 1 1 61 6  8  o 1.36455  0.189097  1.88576      0.516063 2.02136      0.749549 1.76356      0.711577 1.37857  0.281592  1.28518  0.284403  
1 1 1 61 6  9  o 0.837867 0.275991  0.695101     0.535928 0.404422     0.778653 0.956754     0.738755 0.813635 0.322418  0.978047 0.324035  
1 1 1 61 6  10 o 1.98101  0.13834   3.95406      0.548106 4.78275      0.808085 3.24797      0.74592  2.17216  0.186009  1.78691  0.208718  
1 1 1 61 6  11 o 0.601885 0.255282  0.0324744    0.534149 0.863311     0.780295 -0.700191    0.732747 0.9525   0.332381  0.558254 0.26153   
1 1 1 61 6  12 o 1.53891  0.179657  2.4011       0.552951 1.42613      0.788054 3.34663      0.776064 1.15143  0.32692   1.81148  0.214207  
1 1 1 61 6  13 o 3.62978  0.0968584 13.2367      0.703149 13.4274      0.990462 13.0429      0.998391 3.64781  0.135761  3.59445  0.138879  
1 1 1 61 6  14 o 3.58757  0.100376  12.9365      0.720215 12.8961      1.03224  12.9749      1.00537  3.57221  0.144482  3.5842   0.14025   
1 1 1 61 6  15 o 2.60182  0.127173  6.82989      0.661763 6.77614      0.97903  6.87512      0.897964 2.57747  0.189921  2.60066  0.172642  
1 1 1 61 6  16 o 1.81659  0.172786  3.35747      0.627763 3.57691      0.881239 3.13137      0.894492 1.86103  0.236761  1.73622  0.257598  
1 1 1 61 6  17 o 2.73947  0.126586  7.57852      0.693558 8.11327      0.957619 6.98857      1.00583  2.82335  0.169589  2.6138   0.192408  
1 1 1 61 6  18 o 1.45777  0.236364  2.20364      0.689128 1.65562      0.957041 2.79373      0.993107 1.22038  0.364487  1.59295  0.322982  
1 1 1 61 6  19 o 2.34863  0.15537   5.61476      0.729815 4.59263      1.04353  6.59335      1.02106  2.09564  0.248977  2.53002  0.20179   
1 1 1 61 6  20 o 1.91296  0.192314  3.76229      0.735776 4.57853      1.06156  3.00764      1.02073  2.08904  0.254079  1.64804  0.32114   
1 1 1 61 6  21 o 2.23979  0.173447  5.14091      0.776971 4.91188      1.11688  5.3557       1.08157  2.15767  0.258817  2.2617   0.239106  
1 1 1 61 6  22 o 0.759076 0.307449  0.344502     0.727274 0.177018     1.03596  0.507257     1.02124  0.824661 0.352822  0.889745 0.362899  
1 1 1 61 6  23 o 3.35837  0.129552  11.4794      0.870167 10.212       1.1874   12.9497      1.27889  3.13671  0.189276  3.53793  0.180739  
1 1 1 61 6  24 o 0.527636 0.253247  -0.947948    0.770871 -0.773583    1.1457   -1.09218     1.04201  0.69917  0.327453  0.62478  0.298555  
1 1 1 61 6  25 o 1.14508  0.330787  1.54896      0.800032 1.37265      1.09479  1.75102      1.17199  1.0878   0.392282  1.19289  0.408134  
1 1 1 61 6  26 o 1.15891  0.323848  1.61551      0.779344 2.20882      1.1124   1.04356      1.0922   1.3104   0.39328   0.985902 0.384245  
1 1 1 61 6  27 o 1.36489  0.309719  2.25025      0.826268 2.13595      1.15218  2.37128      1.18557  1.25518  0.404381  1.31809  0.408142  
1 1 1 61 6  28 o 0.968618 0.337953  1.15712      0.80665  0.119997     1.07323  2.50376      1.22293  0.768577 0.342696  1.32878  0.415142  
1 1 1 61 6  29 o 0.525884 0.254472  -0.942663    0.824077 -1.41191     1.09322  -0.325122    1.25412  0.575489 0.28181   0.727093 0.3409    
1 1 1 61 6  30 o 0.848257 0.342988  0.870479     0.902975 0.422887     1.21869  1.41532      1.34458  0.803744 0.361559  0.97873  0.409546  
1 1 1 61 6  31 o 0.645932 0.299679  -0.0307692   0.927039 1.10251      1.35286  -1.03399     1.27286  0.862925 0.384762  0.620863 0.304042  
1 1 1 61 6  32 o 0.990375 0.360283  1.63177      0.925229 1.55941      1.25291  1.71857      1.37214  0.924489 0.391485  0.941764 0.40459   
1 1 1 61 6  33 o 0.54463  0.269709  -0.989839    1.09738  0.671295     1.64068  -2.33456     1.47618  0.72708  0.353797  0.539282 0.27306   
1 1 1 61 7  0  o 1.20447  0.372771  1.8385       0.784057 1.8385       0.784057 1.8385       0.784057 1.28969  0.239588  ?        ?         
1 1 1 61 7  1  o 3.26919  0.0928068 10.7203      0.606807 10.2369      0.864202 11.1905      0.852232 3.18907  0.135494  3.33549  0.127752  
1 1 1 61 7  2  o 4.66721  0.0788601 21.8314      0.736113 21.3499      1.01365  22.3687      1.07074  4.61056  0.109927  4.71861  0.113459  
1 1 1 61 7  3  o 9.47075  0.0859647 89.9345      1.6283   88.6489      2.25504  91.3349      2.35365  9.39081  0.120067  9.53059  0.123479  
1 1 1 61 7  4  o 3.12576  0.100592  9.806        0.628854 11.517       0.953382 8.48828      0.836673 3.3815   0.14097   2.90255  0.144127  
1 1 1 61 7  5  o 1.83859  0.149936  3.40771      0.551343 3.61297      0.866536 3.26809      0.714662 1.88282  0.230117  1.79496  0.199075  
1 1 1 61 7  6  o 0.966974 0.273829  0.986343     0.553587 0.982092     0.883726 0.989089     0.710198 1.01475  0.353761  0.985869 0.31747   
1 1 1 61 7  7  o 2.52883  0.108528  6.42245      0.548899 6.03896      0.794823 6.77209      0.75894  2.44558  0.162502  2.59212  0.146393  
1 1 1 61 7  8  o 1.37815  0.1818    1.92322      0.501097 2.51214      0.734114 1.40944      0.685679 1.56864  0.233997  1.14662  0.296775  
1 1 1 61 7  9  o 3.53292  0.0912991 12.5227      0.645106 12.2217      0.926667 12.8058      0.898614 3.48376  0.132998  3.56732  0.125951  
1 1 1 61 7  10 o 4.07004  0.0833414 16.6113      0.678405 16.8188      0.982379 16.4222      0.93798  4.08916  0.12012   4.04143  0.116045  
1 1 1 61 7  11 o 2.1101   0.131064  4.48536      0.553114 4.89072      0.794355 4.10385      0.770627 2.19602  0.180862  2.00989  0.191709  
1 1 1 61 7  12 o 3.0642   0.0998312 9.43571      0.611806 10.1254      0.883749 8.80098      0.847818 3.16692  0.139528  2.95172  0.143614  
1 1 1 61 7  13 o 2.58103  0.118745  6.70927      0.612967 6.08193      0.872948 7.31942      0.860909 2.44654  0.178404  2.68807  0.160135  
1 1 1 61 7  14 o 2.10777  0.145876  4.49383      0.614945 4.94734      0.875281 4.05177      0.864154 2.20078  0.198857  1.98758  0.217388  
1 1 1 61 7  15 o 2.99315  0.116732  9.02943      0.698793 7.99233      1.01988  9.94713      0.959378 2.80031  0.182102  3.13271  0.153123  
1 1 1 61 7  16 o 1.60788  0.202179  2.64905      0.650159 2.46427      0.968598 2.80058      0.877121 1.49411  0.332783  1.63827  0.267698  
1 1 1 61 7  17 o 2.79381  0.124672  7.88342      0.696622 8.10262      0.980486 7.65999      0.989926 2.81902  0.173905  2.73884  0.18072   
1 1 1 61 7  18 o 3.42283  0.120708  11.8365      0.826325 11.7739      1.12386  11.9102      1.21915  3.39866  0.165339  3.41289  0.17861   
1 1 1 61 7  19 o 0.733485 0.29687   0.30142      0.677401 0.118139     0.939519 0.499857     0.977594 0.78686  0.336302  0.883499 0.357026  
1 1 1 61 7  20 o 0.720148 0.298534  0.214594     0.704145 0.324298     1.00482  0.108738     0.98704  0.851404 0.355009  0.800712 0.343542  
1 1 1 61 7  21 o 0.80438  0.311836  0.513642     0.717364 1.30735      1.04353  -0.197507    0.987772 1.10059  0.384349  0.739725 0.32933   
1 1 1 61 7  22 o 2.68372  0.149056  7.35786      0.800051 7.16335      1.11781  7.56216      1.14558  2.61934  0.213377  2.69157  0.21281   
1 1 1 61 7  23 o 2.52736  0.162453  6.58018      0.821154 6.15622      1.14573  7.02798      1.1775   2.40415  0.238281  2.57499  0.228642  
1 1 1 61 7  24 o 2.28619  0.175794  5.42832      0.803799 5.67502      1.07672  5.11777      1.20807  2.30493  0.23357   2.15909  0.279763  
1 1 1 61 7  25 o 1.68799  0.248481  3.09747      0.838864 2.97617      1.1584   3.23122      1.21639  1.55092  0.376672  1.61356  0.382302  
1 1 1 61 7  26 o 2.33614  0.182591  5.75915      0.853113 6.44251      1.22451  5.11461      1.18923  2.41164  0.253875  2.1269   0.279569  
1 1 1 61 7  27 o 1.95866  0.214611  4.17054      0.8407   4.59386      1.17607  3.7282       1.20222  1.98603  0.296087  1.71342  0.362021  
1 1 1 61 7  28 o 1.06545  0.345217  1.49226      0.838829 1.77937      1.09632  1.08683      1.30278  1.12249  0.393764  0.962693 0.403002  
1 1 1 61 7  29 o 1.33976  0.337847  2.42119      0.90569  4.31616      1.21901  0.0862387    1.35314  1.79034  0.353011  0.788168 0.364282  
1 1 1 61 7  30 o 1.02686  0.35413   1.54661      0.883533 1.24803      1.18488  1.92053      1.326    0.930571 0.386603  1.06065  0.420605  
1 1 1 61 7  31 o 0.521182 0.256991  -1.24144     0.969777 -1.2312      1.31418  -1.25367     1.43698  0.607502 0.299462  0.62988  0.311127  
1 1 1 61 7  32 o 1.21983  0.382171  2.61232      1.03542  2.58553      1.43854  2.64111      1.49152  1.05439  0.430489  1.05131  0.43507   
1 1 1 61 8  0  o 0.580231 0.361437  0.27733      0.825006 0.27733      0.825006 0.27733      0.825006 0.51498  0.312326  ?        ?         
1 1 1 61 8  1  o 6.09501  0.0804725 37.2356      0.980961 36.7492      1.39416  37.7124      1.38052  6.04758  0.115266  6.12698  0.112659  
1 1 1 61 8  2  o 6.402    0.077035  41.0729      0.986357 41.2373      1.38325  40.9029      1.40689  6.40814  0.107929  6.38152  0.110231  
1 1 1 61 8  3  o 4.46344  0.0813194 19.9695      0.725929 19.7204      0.998091 20.2492      1.05774  4.43062  0.112636  4.48866  0.117824  
1 1 1 61 8  4  o 2.83068  0.104797  8.04421      0.593293 9.01178      0.916766 7.34696      0.778238 2.9893   0.153341  2.70042  0.144095  
1 1 1 61 8  5  o 5.5547   0.077596  30.9223      0.862045 31.4246      1.30047  30.5287      1.15134  5.59189  0.116282  5.51425  0.104397  
1 1 1 61 8  6  o 3.39978  0.090383  11.594       0.614565 11.2019      0.899345 11.9375      0.841763 3.3355   0.134814  3.44537  0.122159  
1 1 1 61 8  7  o 4.46562  0.0774807 19.9885      0.691999 19.2905      0.968787 20.7156      0.988788 4.38165  0.11055   4.54094  0.108875  
1 1 1 61 8  8  o 0.662979 0.260491  0.274503     0.504271 0.141451     0.722551 0.400846     0.704101 0.721001 0.300865  0.784373 0.307928  
1 1 1 61 8  9  o 3.5869   0.0904807 12.9082      0.649091 12.8514      0.951111 12.9578      0.888038 3.57204  0.133133  3.58855  0.123732  
1 1 1 61 8  10 o 1.7349   0.154124  3.04104      0.53478  2.33433      0.764471 3.71829      0.748371 1.48371  0.267382  1.91232  0.195671  
1 1 1 61 8  11 o 0.797037 0.27174   0.614974     0.519545 0.54605      0.731754 0.685038     0.737779 0.834196 0.317095  0.880053 0.321568  
1 1 1 61 8  12 o 2.20739  0.131487  4.91516      0.580487 4.84086      0.826927 4.98735      0.815066 2.18049  0.189619  2.21438  0.184039  
1 1 1 61 8  13 o 0.877554 0.284449  0.787115     0.569465 1.73651      0.818491 -0.103648    0.792813 1.25928  0.323346  0.691254 0.302309  
1 1 1 61 8  14 o 3.67393  0.100744  13.5763      0.740252 13.2818      0.984271 13.9599      1.12318  3.62524  0.135753  3.71192  0.151293  
1 1 1 61 8  15 o 2.11822  0.156283  4.55214      0.662082 4.70064      0.973983 4.42457      0.902723 2.13518  0.22808   2.07434  0.217593  
1 1 1 61 8  16 o 0.595686 0.26324   -0.14732     0.616715 -1.24749     0.877694 0.925565     0.866742 0.553028 0.266596  0.977927 0.349401  
1 1 1 61 8  17 o 2.62976  0.140036  7.00811      0.736521 6.39183      1.10364  7.50296      0.988963 2.4868   0.221901  2.70855  0.182563  
1 1 1 61 8  18 o 3.7055   0.111335  13.8579      0.825107 13.6358      1.10059  14.1429      1.24679  3.662    0.150272  3.72201  0.167489  
1 1 1 61 8  19 o 2.48007  0.146849  6.25201      0.728393 6.18321      1.03056  6.3207       1.02965  2.44545  0.21071   2.47347  0.208138  
1 1 1 61 8  20 o 0.897981 0.31767   0.802024     0.71488  0.35169      0.997572 1.27743      1.02497  0.851508 0.354304  1.09281  0.380983  
1 1 1 61 8  21 o 1.50645  0.248263  2.39397      0.747992 3.65831      1.05797  1.13033      1.05767  1.84616  0.286532  1.05218  0.384968  
1 1 1 61 8  22 f 1.75737  0.211474  3.23541      0.743276 3.4277       1.05018  3.04241      1.05212  1.74361  0.312469  1.62768  0.334672  
1 1 1 61 8  23 o 0.919029 0.324211  0.899846     0.744151 1.68609      1.04313  0.0850474    1.0619   1.18627  0.385028  0.799381 0.349731  
1 1 1 61 8  24 o 1.16185  0.324556  1.58867      0.782889 1.16284      1.067    2.08527      1.15226  1.03047  0.38507   1.29022  0.402943  
1 1 1 61 8  25 o 1.86316  0.208739  3.70184      0.777831 3.50301      1.0654   3.92878      1.13824  1.72464  0.320861  1.85369  0.307021  
1 1 1 61 8  26 o 0.661604 0.29456   -0.0461127   0.790263 -0.617468    1.0638   0.65747      1.18049  0.668123 0.31338   0.89794  0.380111  
1 1 1 61 8  27 o 1.82987  0.236539  3.71391      0.865669 4.21561      1.22444  3.21253      1.22405  1.83613  0.346101  1.54522  0.394627  
1 1 1 61 8  28 o 0.891139 0.340343  0.973914     0.846264 -0.270299    1.08633  2.89453      1.34969  0.696482 0.323621  1.35596  0.437753  
1 1 1 61 8  29 o 1.51088  0.319255  2.97709      0.934885 1.42375      1.27988  4.75389      1.36885  0.986277 0.404929  1.82591  0.386672  
1 1 1 61 8  30 o 0.514732 0.251936  -1.03478     0.870963 -1.18122     1.1729   -0.854776    1.30041  0.590481 0.289965  0.646049 0.314525  
1 1 1 61 8  31 o 1.02861  0.369356  1.82649      0.969649 1.69761      1.34637  1.96538      1.39765  0.93314  0.400825  0.973007 0.412828  
1 1 1 61 8  32 o 0.651211 0.31168   0.0408172    1.14714  0.787045     1.73318  -0.540933    1.5303   0.753401 0.365669  0.649009 0.320694  
1 1 1 61 9  0  o 5.93296  0.106138  35.3057      1.25852  35.3057      1.25852  35.3057      1.25852  5.93739  0.074968  ?        ?         
1 1 1 61 9  1  f 3.79666  0.0840632 14.4517      0.638319 13.6394      0.890616 15.3097      0.915332 3.68329  0.1209    3.90292  0.117262  
1 1 1 61 9  2  o 4.27685  0.0806284 18.3351      0.689672 18.6927      1.00412  18.0158      0.948906 4.31271  0.116414  4.23467  0.11204   
1 1 1 61 9  3  o 2.58662  0.116492  6.72444      0.602641 6.46463      0.910133 6.92729      0.804193 2.52725  0.180064  2.62043  0.153447  
1 1 1 61 9  4  o 0.699867 0.271961  0.327495     0.546302 -0.203828    0.910495 0.626374     0.682882 0.728117 0.321052  0.849989 0.309492  
1 1 1 61 9  5  o 0.563425 0.244106  -0.0552324   0.507477 0.975018     0.748357 -0.932317    0.690491 0.985525 0.326134  0.503608 0.241222  
1 1 1 61 9  6  o 9.87835  0.0880437 97.8816      1.73945  98.0621      2.41134  97.6858      2.51164  9.87342  0.122113  9.85185  0.12747   
1 1 1 61 9  7  o 4.46431  0.0808703 19.9822      0.72206  20.3319      1.01209  19.6198      1.03045  4.49763  0.112514  4.41733  0.116637  
1 1 1 61 9  8  o 6.26559  0.0806925 39.3615      1.01117  38.8639      1.46123  39.8187      1.40072  6.21646  0.117529  6.2942   0.111271  
1 1 1 61 9  9  o 4.60386  0.0820768 21.2597      0.755741 20.9856      1.10905  21.4972      1.0326   4.56588  0.12145   4.62356  0.111667  
1 1 1 61 9  10 o 2.38993  0.117245  5.75079      0.560415 5.79356      0.805683 5.71071      0.780032 2.39028  0.168533  2.37395  0.16429   
1 1 1 61 9  11 o 1.49235  0.181497  2.26424      0.541717 3.11476      0.772847 1.44278      0.759533 1.74335  0.221655  1.15317  0.318849  
1 1 1 61 9  12 o 1.1254   0.256703  1.36007      0.565211 1.11321      0.828451 1.57504      0.773078 1.03784  0.343143  1.20127  0.317089  
1 1 1 61 9  13 o 4.70402  0.102135  22.2596      0.960885 20.2804      1.44228  23.8393      1.28848  4.47012  0.161324  4.85811  0.132612  
1 1 1 61 9  14 o 0.609219 0.26579   -0.0766386   0.609786 -0.690051    0.861776 0.538461     0.862961 0.618318 0.287663  0.867772 0.340827  
1 1 1 61 9  15 o 3.19758  0.111324  10.3032      0.711935 9.80391      1.0216   10.7745      0.992679 3.10488  0.164515  3.25884  0.152306  
1 1 1 61 9  16 o 4.31951  0.0929146 18.7652      0.80269  18.9131      1.12815  18.6136      1.14233  4.32446  0.130439  4.28907  0.133167  
1 1 1 61 9  17 o 5.76884  0.104465  33.547       1.20528  41.7344      1.80771  26.9943      1.61721  6.41364  0.140927  5.14922  0.157035  
1 1 1 61 9  18 o 3.14466  0.122001  10.0004      0.767304 10.8325      1.13236  9.29395      1.04336  3.25413  0.173989  3.01455  0.173053  
1 1 1 61 9  19 o 0.75179  0.301891  0.349705     0.69277  -0.53117     0.96095  1.30295      0.999644 0.678889 0.311022  1.10145  0.376933  
1 1 1 61 9  20 o 1.58886  0.226202  2.63801      0.718807 2.06985      1.00201  3.2404       1.03174  1.33839  0.364541  1.70668  0.314023  
1 1 1 61 9  21 o 0.958445 0.324992  0.983659     0.743127 1.00556      1.03368  0.960228     1.0691   1.00839  0.378575  1.00225  0.382606  
1 1 1 61 9  22 o 1.37562  0.279962  2.12068      0.743499 2.95284      1.03924  1.24818      1.06413  1.59481  0.336316  1.06517  0.38649   
1 1 1 61 9  23 o 1.64729  0.242185  2.91238      0.7979   2.7705       1.07133  3.08912      1.19568  1.52239  0.357559  1.59339  0.380001  
1 1 1 61 9  24 o 0.960667 0.327355  1.04473      0.753971 2.05458      1.0469   -0.0435097   1.08677  1.28447  0.380724  0.774923 0.345208  
1 1 1 61 9  25 o 1.99026  0.202009  4.22552      0.804101 4.45048      1.03367  3.88075      1.27965  2.00241  0.258106  1.75622  0.375298  
1 1 1 61 9  26 o 0.833824 0.32658   0.697045     0.790977 0.208956     1.07116  1.28233      1.17298  0.790967 0.348567  1.02523  0.398483  
1 1 1 61 9  27 f 0.782723 0.320586  0.543241     0.800316 -0.165061    1.09711  1.34885      1.17004  0.725029 0.33223   1.01635  0.397376  
1 1 1 61 9  28 o 1.01462  0.347177  1.413        0.848043 2.24846      1.20202  0.585011     1.19663  1.19988  0.413126  0.837474 0.368788  
1 1 1 61 9  29 o 1.551    0.309804  3.11368      0.927011 2.75089      1.18544  3.68478      1.48731  1.32097  0.407934  1.45598  0.45841   
1 1 1 61 9  30 o 0.61791  0.290767  -0.230461    0.935598 -0.633475    1.33787  0.15528      1.30888  0.662273 0.321387  0.733086 0.344658  
1 1 1 61 9  31 o 0.700017 0.318325  0.33687      0.976568 -0.901931    1.38923  1.547        1.37306  0.642326 0.315473  0.906387 0.397106  
1 1 1 61 10 0  o 1.37162  0.337417  2.22153      0.800667 2.22153      0.800667 2.22153      0.800667 1.44163  0.209346  ?        ?         
1 1 1 61 10 1  o 4.41586  0.0756914 19.5435      0.668485 20.0075      0.935545 19.0595      0.955534 4.46339  0.104802  4.35548  0.109693  
1 1 1 61 10 2  o 1.52948  0.165183  2.3645       0.505288 2.46471      0.691176 2.24946      0.740544 1.55487  0.222262  1.45895  0.263436  
1 1 1 61 10 3  o 2.94301  0.103004  8.6977       0.606284 9.24749      0.944642 8.31259      0.790606 3.02639  0.156067  2.87239  0.137621  
1 1 1 61 10 4  o 3.34864  0.0909561 11.2503      0.609158 11.4569      0.909474 11.0822      0.820361 3.37258  0.134834  3.31889  0.12359   
1 1 1 61 10 5  o 3.71767  0.0831949 13.8593      0.618582 14.0566      0.901343 13.6837      0.850485 3.73828  0.120556  3.68928  0.115264  
1 1 1 61 10 6  o 4.16335  0.0826081 17.3811      0.687852 18.4149      1.0204   16.5202      0.931243 4.27886  0.119237  4.05361  0.114866  
1 1 1 61 10 7  o 3.18016  0.0982116 10.1553      0.624658 10.702       0.911412 9.67106      0.85782  3.25764  0.139888  3.09702  0.138491  
1 1 1 61 10 8  o 7.21167  0.08557   52.1875      1.23421  51.0995      1.79185  53.1696      1.70245  7.12199  0.125797  7.26839  0.117113  
1 1 1 61 10 9  o 3.38763  0.096916  11.5299      0.65663  11.5112      0.94542  11.5472      0.912676 3.37642  0.140003  3.38286  0.134897  
1 1 1 61 10 10 o 1.21776  0.229826  1.56893      0.539291 1.63035      0.782396 1.51334      0.74437  1.22321  0.31721   1.18004  0.310991  
1 1 1 61 10 11 f 3.84025  0.0891408 14.8102      0.684645 13.5638      0.972834 16.0334      0.963699 3.6656   0.132698  3.98857  0.120808  
1 1 1 61 10 12 o 1.5061   0.190522  2.31534      0.573889 2.01931      0.817583 2.60288      0.805751 1.35978  0.307762  1.58423  0.254303  
1 1 1 61 10 13 f 1.63664  0.184586  2.73235      0.6042   2.42286      0.860022 3.03397      0.84902  1.49487  0.298219  1.71106  0.248098  
1 1 1 61 10 14 o 3.74366  0.100606  14.1024      0.753273 15.2593      1.08153  13.0124      1.04976  3.88298  0.139265  3.58346  0.146472  
1 1 1 61 10 15 o 5.76677  0.0921663 33.4407      1.063    36.2143      1.46287  30.3376      1.54731  5.9885   0.12214   5.47207  0.141383  
1 1 1 61 10 16 o 2.55659  0.138041  6.6254       0.705825 6.8917       1.0182   6.37905      0.979313 2.58967  0.196589  2.49151  0.19653   
1 1 1 61 10 17 f 1.98515  0.16988   4.02647      0.674475 3.90849      0.970544 4.13667      0.937992 1.93164  0.251223  1.99276  0.23535   
1 1 1 61 10 18 o 1.22491  0.280112  1.6475       0.671611 1.30371      0.964071 1.97166      0.936146 1.09972  0.370165  1.31932  0.349246  
1 1 1 61 10 19 o 0.624576 0.277034  -0.156843    0.69165  0.332208     1.00922  -0.589975    0.949768 0.849025 0.355014  0.66282  0.305907  
1 1 1 61 10 20 o 2.6906   0.150404  7.39012      0.809357 7.44345      1.07237  7.31953      1.23372  2.67929  0.200123  2.63988  0.23367   
1 1 1 61 10 21 f 1.92584  0.196295  3.86406      0.756064 3.37988      1.04417  4.3977       1.0962   1.72891  0.313511  2.01771  0.271645  
1 1 1 61 10 22 o 2.57838  0.16199   6.86081      0.83534  6.33338      1.1213   7.5186       1.25221  2.43962  0.22981   2.6538   0.235929  
1 1 1 61 10 23 o 0.763888 0.311926  0.386328     0.755372 0.305474     1.04025  0.476515     1.09865  0.828277 0.353934  0.877283 0.368799  
1 1 1 61 10 24 o 1.64304  0.232202  2.92113      0.763033 3.30362      0.989937 2.36127      1.19769  1.68583  0.30478   1.34555  0.408936  
1 1 1 61 10 25 o 1.92387  0.214866  4.00871      0.826749 3.75036      1.08795  4.3618       1.27188  1.76581  0.319812  1.87517  0.352108  
1 1 1 61 10 26 o 0.680433 0.296717  0.118898     0.759189 -0.0947672   1.00384  0.404414     1.16041  0.718357 0.325368  0.840674 0.366713  
1 1 1 61 10 27 o 1.30692  0.315837  2.1772       0.817563 1.09415      1.11221  3.45034      1.20588  0.940449 0.380496  1.57543  0.385366  
1 1 1 61 10 28 o 1.17563  0.358113  1.96455      0.917786 0.939923     1.26456  3.10503      1.33413  0.897556 0.387053  1.38288  0.433918  
1 1 1 61 10 29 f 0.729845 0.326126  0.361552     0.976616 1.137        1.33409  -0.533833    1.43355  0.89322  0.391383  0.706784 0.340715  
1 1 1 61 10 30 o 0.956371 0.368228  1.59694      0.996705 1.08128      1.49267  2.01185      1.33894  0.838348 0.385563  0.98774  0.410699  
1 1 1 61 10 31 o 0.983891 0.382011  1.89588      1.07742  0.658349     1.57327  2.98888      1.47854  0.768927 0.367297  1.09476  0.440444  
1 1 1 61 11 0  o 6.95232  0.104804  48.4738      1.45651  48.4738      1.45651  48.4738      1.45651  6.95729  0.0740353 ?        ?         
1 1 1 61 11 1  f 1.0754   0.256409  1.23316      0.544491 1.96098      0.735727 0.351796     0.809619 1.35537  0.280865  0.809514 0.325824  
1 1 1 61 11 2  o 3.20195  0.0960382 10.2905      0.61502  10.2204      0.899025 10.3521      0.843196 3.1841   0.141174  3.20627  0.131492  
1 1 1 61 11 3  o 2.21417  0.124613  4.93319      0.551827 5.05717      0.817626 4.82948      0.747838 2.23363  0.183026  2.18461  0.17116   
1 1 1 61 11 4  o 5.40155  0.0767817 29.2474      0.82948  30.3017      1.16778  28.1738      1.17841  5.49182  0.10632   5.2943   0.111291  
1 1 1 61 11 5  o 3.32859  0.0887829 11.1173      0.591043 11.0149      0.850626 11.2128      0.821839 3.30699  0.12861   3.33756  0.12312   
1 1 1 61 11 6  o 2.17029  0.121784  4.74248      0.528613 4.69497      0.748073 4.78985      0.747073 2.15181  0.173824  2.17379  0.171837  
1 1 1 61 11 7  o 4.29745  0.0801385 18.527       0.688783 18.8891      0.99302  18.1913      0.956195 4.33215  0.11461   4.2519   0.112443  
1 1 1 61 11 8  o 3.04131  0.0971154 9.29345      0.590716 9.34671      0.850216 9.24375      0.821331 3.04238  0.139729  3.02642  0.135694  
1 1 1 61 11 9  o 0.874109 0.273416  0.792189     0.530256 -0.200359    0.727794 1.91518      0.774142 0.642114 0.284577  1.32941  0.298497  
1 1 1 61 11 10 o 0.94305  0.274767  0.946229     0.549696 1.81042      0.782015 0.102199     0.772842 1.28828  0.307365  0.727607 0.307759  
1 1 1 61 11 11 o 3.20771  0.101275  10.3498      0.64972  10.3064      0.90258  10.3965      0.936019 3.19207  0.141379  3.20477  0.146035  
1 1 1 61 11 12 o 2.37589  0.126797  5.69832      0.602513 6.18378      0.860894 5.23224      0.843535 2.46465  0.174648  2.26436  0.186264  
1 1 1 61 11 13 o 2.00626  0.154484  4.08406      0.619867 3.57998      0.901623 4.53587      0.853597 1.85852  0.242564  2.10311  0.202937  
1 1 1 61 11 14 o 2.37455  0.147087  5.71775      0.698533 5.71813      0.934427 5.71727      1.05169  2.36125  0.197867  2.35299  0.223478  
1 1 1 61 11 15 o 2.78006  0.123617  7.81181      0.687324 9.5411       0.997989 6.25149      0.947983 3.06042  0.163048  2.46853  0.192014  
1 1 1 61 11 16 o 0.821121 0.29947   0.617406     0.639598 1.42724      0.942209 -0.0746986   0.871035 1.13855  0.36557   0.722588 0.316435  
1 1 1 61 11 17 o 1.68729  0.197824  2.9321       0.667571 3.09211      0.985379 2.79636      0.907588 1.67843  0.30478   1.59881  0.294904  
1 1 1 61 11 18 o 2.3128   0.152641  5.45291      0.706057 6.13962      1.00644  4.7874       0.990779 2.43495  0.206664  2.14085  0.231398  
1 1 1 61 11 19 o 0.969335 0.310714  1.01767      0.680863 0.337042     0.959356 1.70841      0.966456 0.83409  0.347279  1.22075  0.366616  
1 1 1 61 11 20 o 1.09205  0.314365  1.353        0.723812 1.7714       1.0575   0.984226     0.992809 1.22734  0.386562  0.993537 0.371408  
1 1 1 61 11 21 o 3.28338  0.139529  11.0261      0.916257 11.3456      1.17677  10.5343      1.46019  3.30765  0.177886  3.14812  0.231914  
1 1 1 61 11 22 o 0.747717 0.313461  0.268354     0.790045 1.35092      1.07953  -0.980151    1.15932  1.08595  0.389744  0.678036 0.320518  
1 1 1 61 11 23 o 1.27154  0.304521  1.89001      0.765358 1.68278      1.04222  2.13257      1.12757  1.168    0.384876  1.29699  0.397312  
1 1 1 61 11 24 o 1.60607  0.239682  2.82262      0.769894 3.43474      1.01525  1.99427      1.18105  1.70777  0.308548  1.22797  0.409708  
1 1 1 61 11 25 o 1.87436  0.217315  3.82404      0.814653 4.40412      1.0748   3.04081      1.24889  1.9663   0.273304  1.49708  0.406632  
1 1 1 61 11 26 o 0.631629 0.285971  -0.127067    0.774684 -0.196468    1.0207   -0.0327733   1.18976  0.700489 0.320763  0.768489 0.349969  
1 1 1 61 11 27 o 0.694224 0.304015  0.220432     0.804008 0.153106     1.08506  0.302404     1.19728  0.750293 0.339135  0.794946 0.357943  
1 1 1 61 11 28 o 0.605648 0.285635  -0.477403    0.912695 -1.80615     1.28094  0.89281      1.30078  0.591231 0.292448  0.88525  0.387188  
1 1 1 61 11 29 o 0.61698  0.292345  -0.326319    0.969578 -2.30283     1.46661  1.20819      1.29226  0.582021 0.291375  0.878953 0.385164  
1 1 1 61 11 30 o 0.738476 0.334411  0.493707     1.05986  0.458742     1.48438  0.530072     1.51378  0.776    0.365476  0.785449 0.369678  
1 1 1 61 11 31 o 0.664702 0.315801  0.269549     1.13817  0.162508     1.77852  0.343793     1.4812   0.699269 0.345576  0.694892 0.337513  
1 1 1 61 12 0  o 3.44611  0.136535  11.9793      0.937676 11.9793      0.937676 11.9793      0.937676 3.45363  0.09616   ?        ?         
1 1 1 61 12 1  o 6.16716  0.0761282 38.1303      0.938989 37.9656      1.28683  38.3178      1.37324  6.14683  0.104674  6.17337  0.111223  
1 1 1 61 12 2  o 2.76948  0.106429  7.70872      0.589506 6.49631      0.879114 8.69933      0.794645 2.53179  0.173615  2.93748  0.13526   
1 1 1 61 12 3  o 2.03816  0.128226  4.18547      0.52269  4.42271      0.723862 3.927        0.755547 2.08867  0.173283  1.96506  0.192246  
1 1 1 61 12 4  o 4.06733  0.0777747 16.5913      0.632671 15.8984      0.885017 17.3154      0.904775 3.97553  0.111308  4.14941  0.109025  
1 1 1 61 12 5  o 0.510529 0.228872  -0.203152    0.48448  0.0496683    0.651247 -0.516467    0.724987 0.662681 0.281508  0.582171 0.268145  
1 1 1 61 12 6  o 2.69332  0.0993651 7.28993      0.535244 7.63458      0.743717 6.91962      0.770913 2.75053  0.135195  2.61635  0.147326  
1 1 1 61 12 7  o 1.97953  0.134075  3.9543       0.530813 3.93744      0.756527 3.97066      0.744971 1.96591  0.192411  1.9749   0.18861   
1 1 1 61 12 8  o 2.94398  0.10029   8.71284      0.590504 8.70205      0.835574 8.72362      0.834623 2.93429  0.142381  2.938    0.142039  
1 1 1 61 12 9  o 0.624285 0.259207  0.123431     0.532168 -0.143242    0.722037 0.440574     0.787404 0.650186 0.28639   0.818977 0.324322  
1 1 1 61 12 10 o 1.54917  0.181985  2.44573      0.563853 3.31817      0.807101 1.61397      0.788056 1.79556  0.224749  1.21288  0.320143  
1 1 1 61 12 11 o 1.046    0.268887  1.18337      0.565524 1.1342       0.798364 1.23288      0.801188 1.03805  0.336832  1.07274  0.336192  
1 1 1 61 12 12 o 2.85699  0.111186  8.22444      0.635316 8.4852       0.918307 7.98506      0.879869 2.8904   0.158855  2.80446  0.15687   
1 1 1 61 12 13 o 3.00578  0.108791  9.104        0.654004 8.41053      0.948999 9.73126      0.902551 2.87467  0.165062  3.09814  0.14566   
1 1 1 61 12 14 o 2.87922  0.118429  8.37089      0.681966 8.42583      0.9576   8.31435      0.971441 2.87512  0.166532  2.85485  0.170139  
1 1 1 61 12 15 o 1.02695  0.29536   1.15397      0.63922  0.58357      0.935303 1.65391      0.875633 0.892565 0.353469  1.21411  0.344572  
1 1 1 61 12 16 o 0.774662 0.294602  0.489114     0.631866 0.4354       0.918317 0.53741      0.870765 0.849827 0.34496   0.86158  0.341101  
1 1 1 61 12 17 o 0.484017 0.232761  -0.906177    0.659086 -0.799576    0.958639 -1.00173     0.907627 0.638908 0.299283  0.591325 0.281447  
1 1 1 61 12 18 o 2.02851  0.172249  4.22215      0.698821 4.65948      0.994846 3.79618      0.981845 2.10763  0.23601   1.89327  0.259299  
1 1 1 61 12 19 o 2.7272   0.140057  7.57948      0.763927 8.78941      1.09693  6.44002      1.06451  2.91514  0.188145  2.48306  0.214354  
1 1 1 61 12 20 o 1.76471  0.211087  3.27042      0.745016 2.84309      1.00737  3.78634      1.10687  1.56865  0.331354  1.85462  0.298409  
1 1 1 61 12 21 o 1.34374  0.317367  2.09629      0.840341 1.72973      1.19297  2.45731      1.18392  1.19606  0.411592  1.40683  0.401112  
1 1 1 61 12 22 o 0.990554 0.323102  1.12238      0.734508 0.987817     1.01687  1.26919      1.06211  0.976479 0.373035  1.05636  0.385845  
1 1 1 61 12 23 o 1.37818  0.287899  2.19878      0.767727 2.01467      0.998084 2.46555      1.20144  1.26676  0.370615  1.37405  0.407977  
1 1 1 61 12 24 o 1.16829  0.319996  1.67605      0.769439 1.44464      1.02292  1.97759      1.16769  1.06751  0.379761  1.20934  0.407385  
1 1 1 61 12 25 o 0.61794  0.281385  -0.221956    0.768776 0.170821     0.993671 -0.807619    1.21337  0.760745 0.335423  0.687888 0.326462  
1 1 1 61 12 26 o 0.591664 0.276529  -0.407412    0.80801  -0.36599     1.13909  -0.449363    1.14635  0.700631 0.327796  0.692385 0.32486   
1 1 1 61 12 27 o 0.727906 0.313578  0.377284     0.828425 -0.620759    1.14344  1.47996      1.20189  0.659494 0.314571  1.00241  0.399515  
1 1 1 61 12 28 o 0.686696 0.312956  0.08789      0.955321 -1.18008     1.409    1.16672      1.29967  0.655573 0.32077   0.906363 0.391639  
1 1 1 61 12 29 o 0.641751 0.300616  -0.0646321   0.96724  0.639842     1.46127  -0.613974    1.29038  0.791751 0.370633  0.64894  0.315141  
1 1 1 61 12 30 o 0.718662 0.32842   0.439836     1.06399  0.281698     1.4493   0.624703     1.567    0.739208 0.352964  0.779979 0.37056   
1 1 1 61 13 0  o 3.33011  0.132756  11.1907      0.880991 11.1907      0.880991 11.1907      0.880991 3.33774  0.0934856 ?        ?         
1 1 1 61 13 1  f 2.45696  0.124354  6.08319      0.611063 6.51063      0.847443 5.62024      0.881937 2.5341   0.167208  2.3503   0.187622  
1 1 1 61 13 2  o 1.38916  0.19522   1.96654      0.542385 2.9708       0.790934 1.07505      0.745203 1.7009   0.232505  1.01562  0.325014  
1 1 1 61 13 3  o 1.65888  0.154557  2.78486      0.512783 3.81635      0.716851 1.70397      0.733815 1.93704  0.185037  1.25412  0.296807  
1 1 1 61 13 4  o 3.57172  0.0865675 12.8054      0.618389 13.1032      0.859915 12.4864      0.889925 3.60695  0.119203  3.51947  0.126429  
1 1 1 61 13 5  o 3.90121  0.0815697 15.2709      0.636441 14.5192      0.88783  16.0656      0.912816 3.79721  0.116905  3.99494  0.114246  
1 1 1 61 13 6  o 2.35412  0.112498  5.57854      0.529668 4.71291      0.719169 6.60472      0.783026 2.15525  0.166841  2.55428  0.153277  
1 1 1 61 13 7  o 0.587085 0.246949  0.0661819    0.49308  -0.451193    0.666842 0.690289     0.732402 0.562493 0.25828   0.877916 0.320433  
1 1 1 61 13 8  o 2.1583   0.131145  4.70389      0.566103 4.39043      0.78045  5.05193      0.822376 2.07445  0.18811   2.22604  0.184718  
1 1 1 61 13 9  o 2.50705  0.116862  6.33521      0.585958 6.88395      0.810986 5.73585      0.847563 2.6054   0.155635  2.37301  0.178584  
1 1 1 61 13 10 o 4.91546  0.0855424 24.2673      0.84096  25.0367      1.2527   23.636       1.13464  4.98014  0.12577   4.84183  0.11717   
1 1 1 61 13 11 o 1.82208  0.159022  3.37193      0.579502 3.32667      0.822592 3.41652      0.816521 1.7947   0.229172  1.81999  0.22432   
1 1 1 61 13 12 o 0.893127 0.285639  0.832206     0.575644 1.02784      0.84436  0.662315     0.786847 1.00507  0.346231  0.878651 0.330213  
1 1 1 61 13 13 o 2.83876  0.114966  8.13264      0.652725 8.71034      0.963611 7.64282      0.887291 2.92388  0.164783  2.73972  0.161931  
1 1 1 61 13 14 o 2.65945  0.128234  7.15949      0.682064 6.31166      0.964677 8.00698      0.964491 2.47762  0.194678  2.79893  0.172297  
1 1 1 61 13 15 o 2.0793   0.159735  4.40723      0.664273 3.80524      0.950068 4.98298      0.929129 1.90624  0.2492    2.19521  0.211626  
1 1 1 61 13 16 o 1.86293  0.175221  3.55398      0.652848 3.2136       0.953204 3.85471      0.895983 1.74228  0.27355   1.92286  0.232982  
1 1 1 61 13 17 o 0.802395 0.303627  0.551932     0.668395 1.15649      0.980385 0.0268859    0.913645 1.04992  0.371954  0.753873 0.32709   
1 1 1 61 13 18 o 2.31527  0.160512  5.4885       0.743256 5.37696      1.04211  5.60399      1.06037  2.2639   0.230158  2.31157  0.229362  
1 1 1 61 13 19 o 0.825033 0.315179  0.599845     0.725905 0.464062     0.983504 0.76233      1.07587  0.859391 0.354255  0.949655 0.378147  
1 1 1 61 13 20 o 1.16185  0.324819  1.57296      0.783846 1.22382      1.01676  2.08446      1.23067  1.05033  0.378117  1.29644  0.417953  
1 1 1 61 13 21 o 1.51418  0.274269  2.57026      0.800058 3.86452      1.17924  1.46642      1.08904  1.81929  0.336759  1.1155   0.392343  
1 1 1 61 13 22 o 1.83297  0.207313  3.56973      0.759997 3.92956      0.988828 3.05038      1.18796  1.89081  0.261483  1.56216  0.382722  
1 1 1 61 13 23 o 0.819989 0.320962  0.636041     0.763754 0.715947     0.991031 0.51917      1.19854  0.884086 0.358561  0.884081 0.378912  
1 1 1 61 13 24 o 1.69642  0.227305  3.15779      0.771212 3.15076      1.00734  3.16775      1.1988   1.60714  0.324757  1.54944  0.387469  
1 1 1 61 13 25 o 0.830015 0.327498  0.720194     0.800194 1.2336       1.08636  0.111264     1.18311  0.987967 0.383593  0.786725 0.354943  
1 1 1 61 13 26 o 1.0855   0.351436  1.62975      0.869447 0.0857326    1.25795  3.04196      1.20306  0.776594 0.355813  1.4326   0.403027  
1 1 1 61 13 27 o 0.665259 0.30488   -0.0827173   0.924229 -0.549116    1.37175  0.305014     1.25073  0.715976 0.342234  0.791764 0.3601    
1 1 1 61 13 28 o 0.83185  0.348542  0.967488     0.975884 1.17851      1.44501  0.790539     1.32323  0.878192 0.394442  0.82059  0.372458  
1 1 1 61 13 29 o 0.674509 0.310457  0.166554     0.969889 0.0638366    1.44516  0.250736     1.30829  0.732077 0.350251  0.734406 0.345075  
1 1 1 61 13 30 o 0.626848 0.301409  -0.107621    1.10429  -0.799214    1.53096  0.642439     1.59436  0.629865 0.313071  0.732846 0.354505  
1 1 1 61 14 0  o 3.23079  0.140765  10.5496      0.905636 10.5496      0.905636 10.5496      0.905636 3.23944  0.0990509 ?        ?         
1 1 1 61 14 1  f 2.3621   0.131065  5.62842      0.619178 6.58012      0.850381 4.55455      0.903314 2.5471   0.166931  2.10957  0.214099  
1 1 1 61 14 2  o 1.03741  0.257156  1.15571      0.53156  1.05977      0.708904 1.27894      0.803414 1.00456  0.31652   1.09374  0.33544   
1 1 1 61 14 3  o 0.650831 0.260718  0.232028     0.514917 -0.0485596   0.690967 0.582457     0.772188 0.657043 0.284755  0.856177 0.325654  
1 1 1 61 14 4  o 0.835871 0.266143  0.717408     0.500155 -0.265609    0.682399 1.85843      0.735199 0.605732 0.271587  1.31044  0.288315  
1 1 1 61 14 5  o 1.37496  0.182305  1.92512      0.501322 1.47342      0.692288 2.42316      0.726933 1.16382  0.296514  1.533    0.237095  
1 1 1 61 14 6  o 3.52505  0.0883243 12.4811      0.622695 12.6458      0.870355 12.3084      0.891264 3.54084  0.122902  3.49212  0.127611  
1 1 1 61 14 7  o 1.24806  0.207886  1.59656      0.518908 1.67136      0.690917 1.49977      0.785921 1.24105  0.28432   1.17034  0.324616  
1 1 1 61 14 8  o 2.70032  0.10449   7.33862      0.564315 7.84667      0.758952 6.71045      0.843917 2.786    0.136208  2.57012  0.164179  
1 1 1 61 14 9  o 5.33618  0.0836    28.5953      0.892209 28.8448      1.26593  28.349       1.25766  5.34799  0.118356  5.30173  0.118608  
1 1 1 61 14 10 o 1.56767  0.193027  2.51487      0.605204 1.82238      0.873369 3.15456      0.839417 1.28125  0.336493  1.74445  0.240596  
1 1 1 61 14 11 o 3.72799  0.0922676 13.9756      0.687946 14.1855      0.983805 13.7747      0.962354 3.74513  0.131345  3.6908   0.130372  
1 1 1 61 14 12 o 2.61218  0.119194  6.89134      0.622711 6.91934      0.897981 6.86539      0.864278 2.60353  0.172454  2.59515  0.166518  
1 1 1 61 14 13 o 1.76993  0.17055   3.20066      0.603724 2.95248      0.880715 3.42066      0.829202 1.67578  0.262778  1.8146   0.22848   
1 1 1 61 14 14 o 0.621378 0.267969  -0.00343413  0.606185 0.25261      0.884973 -0.229757    0.832025 0.796654 0.332736  0.676099 0.301593  
1 1 1 61 14 15 o 2.27581  0.144796  5.26312      0.659058 4.62095      0.955333 5.84628      0.910389 2.10824  0.226571  2.38457  0.190891  
1 1 1 61 14 16 o 1.15153  0.286189  1.47327      0.657062 1.64811      0.953646 1.31525      0.906591 1.20203  0.364821  1.09177  0.358961  
1 1 1 61 14 17 o 1.43613  0.238912  2.16791      0.686218 1.64975      0.952265 2.72765      0.989736 1.20043  0.3646    1.55376  0.328614  
1 1 1 61 14 18 o 0.908952 0.322456  0.848769     0.737043 0.881142     1.02669  0.814343     1.05872  0.970774 0.373735  0.960811 0.377466  
1 1 1 61 14 19 o 1.45499  0.264136  2.34405      0.740297 2.22318      1.03225  2.47204      1.06227  1.36064  0.369734  1.43628  0.368112  
1 1 1 61 14 20 o 0.636507 0.282727  -0.121186    0.723791 -0.607074    0.978137 0.466842     1.07604  0.658944 0.306527  0.873855 0.36606   
1 1 1 61 14 21 o 1.08596  0.324679  1.38843      0.75914  1.52266      1.05771  1.24582      1.0902   1.12351  0.387467  1.04937  0.389808  
1 1 1 61 14 22 o 2.27077  0.179202  5.41766      0.813855 4.84446      1.09047  6.13839      1.22279  2.09124  0.260724  2.35498  0.259618  
1 1 1 61 14 23 o 1.28552  0.303994  1.99082      0.770264 1.93056      0.998502 2.07936      1.21049  1.21577  0.374177  1.23155  0.414783  
1 1 1 61 14 24 o 2.70108  0.162029  7.66969      0.87531  7.55848      1.20782  7.79269      1.27029  2.61631  0.230825  2.64643  0.240001  
1 1 1 61 14 25 o 0.507533 0.249019  -1.30044     0.8619   -0.689669    1.25034  -1.85345     1.18974  0.692176 0.32987   0.574184 0.283491  
1 1 1 61 14 26 o 1.63763  0.269919  3.21736      0.884054 3.61324      1.29272  2.86956      1.21169  1.54638  0.410887  1.36321  0.410725  
1 1 1 61 14 27 o 0.796914 0.338013  0.704683     0.936512 1.1903       1.37571  0.285278     1.27848  0.914355 0.399065  0.776019 0.356869  
1 1 1 61 14 28 o 0.870372 0.357068  1.2066       0.994449 1.16837      1.4686   1.23898      1.35142  0.857318 0.389993  0.866879 0.385596  
1 1 1 61 14 29 o 0.543455 0.267668  -1.11825     1.03011  -0.588106    1.43657  -1.67934     1.47791  0.667231 0.325871  0.603998 0.301232  
1 1 1 61 15 0  o 0.536923 0.340281  0.174471     0.768543 0.174471     0.768543 0.174471     0.768543 0.468449 0.292405  ?        ?         
1 1 1 61 15 1  o 1.5723   0.180662  2.51712      0.568108 2.36932      0.830022 2.64738      0.779232 1.48217  0.290355  1.60073  0.243398  
1 1 1 61 15 2  o 1.62391  0.177418  2.68382      0.576221 2.35098      0.743956 3.1829       0.910978 1.50754  0.246745  1.75085  0.260153  
1 1 1 61 15 3  f 2.36355  0.123595  5.63496      0.584248 5.77844      0.802024 5.47272      0.852816 2.38464  0.168165  2.31706  0.18403   
1 1 1 61 15 4  o 3.24381  0.0920267 10.5735      0.597035 11.131       0.800956 9.87644      0.895622 3.32243  0.120538  3.12424  0.143334  
1 1 1 61 15 5  o 2.99178  0.100351  9.00306      0.600457 9.07719      0.802255 8.90864      0.905423 2.99725  0.133832  2.96468  0.152702  
1 1 1 61 15 6  o 0.535705 0.237636  -0.154661    0.509061 -0.445604    0.682897 0.209209     0.763704 0.571053 0.261858  0.748512 0.310635  
1 1 1 61 15 7  o 2.33044  0.115143  5.47424      0.536669 5.83227      0.734936 5.06524      0.785516 2.39808  0.153234  2.22984  0.176138  
1 1 1 61 15 8  o 2.49234  0.113287  6.2609       0.564701 6.92228      0.759962 5.44551      0.84382  2.6139   0.145369  2.30972  0.182667  
1 1 1 61 15 9  o 3.36906  0.0921423 11.412       0.620865 11.4808      0.846024 11.3317      0.913979 3.3713   0.125474  3.34625  0.136568  
1 1 1 61 15 10 o 4.45868  0.087346  19.981       0.778897 20.9541      1.09358  18.979       1.10964  4.5557   0.120024  4.33282  0.128051  
1 1 1 61 15 11 o 0.741542 0.286709  0.411327     0.60557  -0.265191    0.786041 1.39916      0.949831 0.650713 0.291625  1.1329   0.367376  
1 1 1 61 15 12 o 0.92853  0.2903    0.92037      0.597859 1.09261      0.770893 0.660436     0.947033 1.01219  0.331008  0.914981 0.357555  
1 1 1 61 15 13 o 1.91692  0.170237  3.75534      0.652659 3.14841      0.847439 4.64015      1.0232   1.73553  0.244145  2.10745  0.242759  
1 1 1 61 15 14 o 2.41824  0.128493  5.92232      0.621456 6.03458      0.875096 5.80811      0.882696 2.42628  0.180337  2.37861  0.185549  
1 1 1 61 15 15 o 2.73507  0.124883  7.58115      0.683127 7.07249      0.945449 8.1368       0.988141 2.62308  0.180217  2.81552  0.175481  
1 1 1 61 15 16 o 2.11903  0.163026  4.5958       0.690914 4.24714      0.981171 4.93873      0.97308  2.00842  0.244265  2.17459  0.223739  
1 1 1 61 15 17 o 1.75156  0.228675  3.23087      0.801077 3.40038      1.00278  2.93189      1.33176  1.77397  0.282635  1.55071  0.419329  
1 1 1 61 15 18 o 2.13426  0.174811  4.7139       0.746186 3.67423      1.00941  5.96657      1.108    1.83917  0.274421  2.36962  0.233792  
1 1 1 61 15 19 o 0.717811 0.299118  0.251485     0.71265  1.03388      0.953035 -0.740898    1.07333  0.98768  0.364947  0.67686  0.316993  
1 1 1 61 15 20 o 0.934185 0.321289  0.964214     0.726834 1.37024      1.01333  0.53396      1.04312  1.08168  0.37865   0.875566 0.363181  
1 1 1 61 15 21 o 2.87981  0.149202  8.57229      0.859345 7.25385      1.12704  10.4033      1.32818  2.603    0.216489  3.12075  0.212797  
1 1 1 61 15 22 o 1.41946  0.276227  2.33254      0.756202 2.97924      0.982715 1.39367      1.18407  1.56999  0.324025  1.06217  0.403477  
1 1 1 61 15 23 o 1.75129  0.245836  3.41964      0.861059 3.95726      1.18041  2.80824      1.25881  1.78628  0.342633  1.42298  0.416184  
1 1 1 61 15 24 o 0.928042 0.341035  1.05855      0.830828 1.81033      1.22157  0.411467     1.13333  1.12273  0.413433  0.821372 0.360312  
1 1 1 61 15 25 o 0.646852 0.295995  -0.1391      0.867473 -0.00749523  1.24479  -0.26336     1.20955  0.760243 0.350618  0.720429 0.337239  
1 1 1 61 15 26 o 0.685189 0.309142  0.0881374    0.897537 -1.14747     1.29676  1.22437      1.24353  0.645139 0.314082  0.940679 0.393755  
1 1 1 61 15 27 o 0.544839 0.266468  -1.02375     0.969445 -1.49235     1.44437  -0.639595    1.30778  0.625507 0.309679  0.661442 0.320155  
1 1 1 61 15 28 o 2.12471  0.267295  5.80317      1.13585  5.74109      1.58487  5.86873      1.62868  1.76529  0.447979  1.7631   0.45788   
1 1 1 61 15 29 o 0.678078 0.315298  0.363293     1.03356  1.49446      1.5088   -0.636812    1.4187   0.824917 0.382564  0.632146 0.311498  
1 1 1 61 16 0  o 1.21307  0.389576  1.9129       0.831156 1.9129       0.831156 1.9129       0.831156 1.30713  0.252167  ?        ?         
1 1 1 61 16 1  o 2.10449  0.13955   4.47924      0.587366 5.59728      0.84431  3.43069      0.817653 2.34373  0.180121  1.82563  0.223937  
1 1 1 61 16 2  o 3.35899  0.0961296 11.3439      0.645797 10.4384      0.886673 12.367       0.94247  3.21295  0.137984  3.4981   0.134712  
1 1 1 61 16 3  o 2.06386  0.13268   4.30371      0.547665 4.37328      0.773245 4.23369      0.775792 2.07004  0.18677   2.0359   0.190528  
1 1 1 61 16 4  o 1.5716   0.171194  2.5131       0.538099 2.36852      0.718011 2.69834      0.812734 1.51377  0.237161  1.61234  0.252035  
1 1 1 61 16 5  o 1.73414  0.159031  3.05329      0.551563 2.91315      0.732104 3.23725      0.838792 1.68273  0.217534  1.76924  0.237049  
1 1 1 61 16 6  o 2.65871  0.108135  7.1197       0.574997 7.43903      0.761021 6.69489      0.877752 2.71089  0.140364  2.56418  0.171157  
1 1 1 61 16 7  o 3.04461  0.100299  9.32866      0.610745 8.97592      0.799014 9.82441      0.947225 2.97892  0.134111  3.11145  0.152216  
1 1 1 61 16 8  o 3.7301   0.0907932 13.9888      0.677335 15.0719      0.927709 12.7521      0.991237 3.86399  0.120046  3.54831  0.139677  
1 1 1 61 16 9  o 3.43524  0.118329  11.914       0.812975 12.694       1.12381  11.0576      1.17751  3.5324   0.159072  3.28942  0.178984  
1 1 1 61 16 10 o 1.96806  0.207387  3.99449      0.8163   3.36371      1.17522  4.58251      1.13469  1.7331   0.351304  2.08542  0.272052  
1 1 1 61 16 11 o 1.98111  0.190733  4.03186      0.755728 3.30609      1.02707  4.88871      1.11597  1.76315  0.291261  2.1577   0.258603  
1 1 1 61 16 12 o 1.37395  0.29153   2.07581      0.776813 2.82478      1.0794   1.27116      1.11881  1.58202  0.350438  1.10907  0.396899  
1 1 1 61 16 13 o 4.71244  0.108505  22.4089      1.02265  23.8173      1.45407  21.0304      1.43854  4.83827  0.150268  4.5421   0.158356  
1 1 1 61 16 14 o 0.479726 0.236904  -1.74454     0.831958 -1.70628     1.14782  -1.78688     1.20758  0.613989 0.297872  0.629178 0.30533   
1 1 1 61 16 15 f 3.3454   0.137276  11.378       0.918485 11.7245      1.3253   11.0576      1.27408  3.36689  0.196814  3.27085  0.194762  
1 1 1 61 16 16 o 1.64262  0.205721  2.81162      0.675842 2.29279      0.878872 3.56239      1.05722  1.42155  0.317256  1.81283  0.291594  
1 1 1 61 16 17 o 1.76023  0.207704  3.24813      0.731211 2.8804       0.975519 3.71966      1.10466  1.58821  0.31834   1.83747  0.300592  
1 1 1 61 16 18 o 0.648514 0.283494  -0.0143384   0.696573 -0.32615     0.940949 0.363737     1.03612  0.687867 0.312711  0.84446  0.356722  
1 1 1 61 16 19 o 2.39693  0.161149  5.93799      0.772525 6.36473      1.03799  5.40811      1.15665  2.45265  0.211605  2.23035  0.259297  
1 1 1 61 16 20 o 0.712609 0.300491  0.230688     0.733065 0.340425     1.00964  0.10834      1.06608  0.820375 0.349563  0.792899 0.348629  
1 1 1 61 16 21 o 2.04574  0.20498   4.47409      0.838672 4.22676      1.13832  4.76775      1.24036  1.92084  0.296307  2.03225  0.30517   
1 1 1 61 16 22 o 0.668699 0.298892  -0.0584707   0.820858 -0.0410735   1.16732  -0.0754886   1.15452  0.775699 0.351127  0.767263 0.348154  
1 1 1 61 16 23 o 1.32908  0.323486  2.20527      0.852965 2.39268      1.22243  2.02744      1.19075  1.29689  0.416397  1.20035  0.411387  
1 1 1 61 16 24 o 0.713494 0.313358  0.219489     0.859267 -0.488617    1.25341  0.847363     1.18026  0.711877 0.33544   0.891534 0.378856  
1 1 1 61 16 25 o 0.931075 0.350711  1.16816      0.888557 2.01471      1.28483  0.392097     1.23017  1.11547  0.421296  0.805631 0.362786  
1 1 1 61 16 26 o 1.11143  0.378153  1.95719      1.00612  1.0623       1.4656   2.75483      1.38368  0.893136 0.399291  1.21833  0.440849  
1 1 1 61 16 27 o 0.613153 0.294292  -0.455445    1.04098  -0.954582    1.44412  0.0844555    1.50193  0.651052 0.320365  0.742438 0.355653  
1 1 1 61 16 28 o 1.83685  0.29241   4.56991      1.07422  5.25921      1.49885  3.8419       1.54036  1.68122  0.440481  1.29239  0.465387  
1 1 1 61 17 0  o 0.871003 0.427008  1.17964      0.875216 1.17964      0.875216 1.17964      0.875216 0.916658 0.356096  ?        ?         
1 1 1 61 17 1  o 1.32332  0.21177   1.79912      0.56048  1.78481      0.783917 1.81409      0.801657 1.27459  0.31005   1.28403  0.314282  
1 1 1 61 17 2  o 1.9103   0.151679  3.70075      0.579505 4.55722      0.797595 2.74307      0.84341  2.1116   0.188861  1.62267  0.259883  
1 1 1 61 17 3  o 1.08895  0.24545   1.27569      0.521787 1.51707      0.716999 1.00392      0.760782 1.17637  0.302977  0.985814 0.32883   
1 1 1 61 17 4  o 1.03851  0.254948  1.16542      0.526338 0.81651      0.733965 1.53482      0.755198 0.915766 0.322093  1.18116  0.314145  
1 1 1 61 17 5  o 2.65174  0.109515  7.08567      0.580808 7.72755      0.828532 6.46546      0.814422 2.75986  0.150104  2.52161  0.161489  
1 1 1 61 17 6  o 2.56364  0.113812  6.62812      0.583544 7.20504      0.826164 6.05374      0.824351 2.66319  0.155108  2.43757  0.169093  
1 1 1 61 17 7  o 2.34525  0.117647  5.55182      0.551826 5.85532      0.720443 5.12101      0.858342 2.40152  0.149998  2.23518  0.192007  
1 1 1 61 17 8  o 3.63948  0.11942   13.3801      0.869256 14.3127      1.26488  12.5455      1.19659  3.7455   0.168853  3.50591  0.170653  
1 1 1 61 17 9  o 0.983156 0.33438   1.00281      0.786682 1.1316       1.08508  0.860107     1.14219  1.06837  0.390018  1.01025  0.393103  
1 1 1 61 17 10 o 2.80065  0.158864  7.99275      0.889846 7.42006      1.22188  8.63951      1.29848  2.67189  0.228654  2.8848   0.225055  
1 1 1 61 17 11 o 3.48453  0.132722  12.305       0.924945 12.3735      1.29443  12.2336      1.32215  3.47183  0.186419  3.44962  0.191637  
1 1 1 61 17 12 o 0.630469 0.287203  -0.410359    0.802632 -0.117539    1.12453  -0.714444    1.14596  0.806476 0.356046  0.725015 0.335148  
1 1 1 61 17 13 o 4.17103  0.116829  17.6032      0.974595 16.263       1.40469  18.8472      1.35331  3.9796   0.176487  4.29558  0.157524  
1 1 1 61 17 14 o 1.62124  0.259854  2.78512      0.842569 1.90683      1.26648  3.48253      1.12856  1.28054  0.424269  1.76012  0.332716  
1 1 1 61 17 15 o 3.95217  0.120648  15.8433      0.95364  14.7553      1.28917  17.1582      1.41721  3.78793  0.170168  4.08246  0.173573  
1 1 1 61 17 16 o 2.18933  0.181754  4.96796      0.795837 4.8219       1.18459  5.08812      1.07442  2.10558  0.281299  2.1837   0.246009  
1 1 1 61 17 17 o 1.81075  0.215845  3.46338      0.781685 1.89044      1.13649  4.87558      1.07686  1.24488  0.401674  2.12767  0.253061  
1 1 1 61 17 18 o 0.659172 0.282148  0.0979424    0.663032 -0.00354571  0.855933 0.250208     1.04841  0.711703 0.312659  0.822275 0.353471  
1 1 1 61 17 19 o 0.61877  0.274588  -0.0986023   0.680555 -0.0430977   0.897654 -0.173632    1.04366  0.714156 0.316334  0.740555 0.333781  
1 1 1 61 17 20 o 1.09727  0.3361    1.46163      0.806921 1.882        1.17292  1.0839       1.11185  1.20374  0.408296  0.994562 0.387673  
1 1 1 61 17 21 o 1.24563  0.328093  1.92056      0.828785 2.6124       1.18633  1.261        1.15833  1.39062  0.403161  1.02272  0.3963    
1 1 1 61 17 22 o 1.71064  0.24888   3.27675      0.851486 4.32825      1.22379  2.29003      1.18549  1.86918  0.339917  1.284    0.409837  
1 1 1 61 17 23 o 1.60753  0.30893   3.19943      0.957787 1.34643      1.49044  4.50296      1.25008  1.01529  0.428313  1.86817  0.347554  
1 1 1 61 17 24 o 1.4168   0.322896  2.62763      0.894901 1.883        1.31756  3.26535      1.21931  1.087    0.422361  1.48257  0.401383  
1 1 1 61 17 25 o 0.826248 0.342102  0.778962     0.922914 1.39973      1.33599  0.212297     1.27644  0.971557 0.407477  0.78121  0.358134  
1 1 1 61 17 26 o 1.56893  0.35975   3.69336      1.10536  3.39763      1.54202  4.00593      1.58532  1.25466  0.464092  1.37378  0.474304  
1 1 1 61 17 27 o 0.779018 0.340222  0.772995     1.00128  1.54944      1.42693  0.0198143    1.40538  0.907111 0.400695  0.723178 0.34585   
1 1 1 61 17 28 o 0.804693 0.349668  1.16255      1.0471   2.44931      1.44321  -0.267661    1.52154  0.962461 0.414248  0.668841 0.329029  
1 1 1 61 18 0  o 0.527659 0.346881  -0.0280034   0.889658 -0.0280034   0.889658 -0.0280034   0.889658 0.444777 0.292117  ?        ?         
1 1 1 61 18 1  o 2.69094  0.111098  7.29906      0.597913 8.63039      0.850241 5.99655      0.840989 2.91762  0.145708  2.42513  0.173391  
1 1 1 61 18 2  o 0.567899 0.251314  -0.146694    0.564787 0.153453     0.774178 -0.488184    0.825776 0.736422 0.309584  0.63157  0.288915  
1 1 1 61 18 3  o 0.822745 0.27357   0.684101     0.526566 0.615336     0.731154 0.7582       0.758979 0.848692 0.318439  0.901264 0.326465  
1 1 1 61 18 4  o 0.784427 0.272748  0.593288     0.525024 0.399975     0.718852 0.814305     0.768638 0.779654 0.309526  0.920987 0.329036  
1 1 1 61 18 5  o 2.61048  0.108204  6.86967      0.564927 7.65024      0.805626 6.11454      0.792394 2.7456   0.146712  2.45077  0.161663  
1 1 1 61 18 6  o 2.03326  0.129362  4.18362      0.526055 3.69961      0.707694 4.78131      0.786427 1.90008  0.186227  2.16126  0.181938  
1 1 1 61 18 7  o 5.65688  0.0942262 32.2116      1.06605  31.67        1.43886  32.8708      1.58729  5.59344  0.128621  5.69247  0.13942   
1 1 1 61 18 8  o 3.19352  0.127238  10.3225      0.812673 10.8053      1.15386  9.84722      1.14478  3.24898  0.177573  3.09866  0.184721  
1 1 1 61 18 9  o 3.62746  0.117443  13.2961      0.852038 13.0261      1.2332   13.5427      1.17858  3.56897  0.172768  3.64405  0.161713  
1 1 1 61 18 10 o 1.70487  0.239127  3.034        0.815362 2.3169       1.2116   3.62757      1.10232  1.41171  0.406837  1.84239  0.299156  
1 1 1 61 18 11 o 1.16839  0.311805  1.52364      0.742414 1.15434      1.06296  1.87537      1.03737  1.06635  0.38634   1.28008  0.378899  
1 1 1 61 18 12 o 3.33969  0.127205  11.3113      0.849647 11.0847      1.19034  11.5466      1.21315  3.2827   0.181305  3.35054  0.181038  
1 1 1 61 18 13 f 2.83661  0.152956  8.21277      0.867751 8.21157      1.21972  8.214        1.23479  2.80746  0.217229  2.80643  0.219992  
1 1 1 61 18 14 o 0.789677 0.325807  0.339075     0.832615 -0.124453    1.18979  0.78393      1.16558  0.815485 0.362325  0.98005  0.392401  
1 1 1 61 18 15 o 0.653609 0.292934  -0.205668    0.793174 1.81135      1.16461  -1.9507      1.08324  1.23111  0.406847  0.562127 0.276884  
1 1 1 61 18 16 o 1.43783  0.28787   2.33202      0.798591 2.79525      1.22102  1.98574      1.05569  1.50639  0.398904  1.28001  0.382916  
1 1 1 61 18 17 o 2.733    0.162805  7.71767      0.889889 6.98417      1.22599  8.53447      1.29373  2.55176  0.240224  2.82986  0.228586  
1 1 1 61 18 18 o 0.871075 0.325577  0.761653     0.762847 0.484097     1.09336  1.02493      1.06486  0.874558 0.367793  0.990127 0.380737  
1 1 1 61 18 19 o 0.777612 0.316434  0.451141     0.774665 0.229896     1.13931  0.641382     1.05646  0.82866  0.3624    0.889145 0.366948  
1 1 1 61 18 20 o 0.747183 0.31529   0.322481     0.807975 0.329024     1.19391  0.316952     1.09747  0.845435 0.370349  0.821136 0.357414  
1 1 1 61 18 21 o 0.645419 0.29369   -0.211056    0.834262 -0.405911    1.24675  -0.0530668   1.12263  0.745876 0.346619  0.76035  0.344251  
1 1 1 61 18 22 o 0.854126 0.333602  0.797206     0.824177 0.627456     1.19567  0.950873     1.13762  0.872827 0.376376  0.927876 0.381493  
1 1 1 61 18 23 o 0.562223 0.26981   -0.789095    0.874238 0.150086     1.33035  -1.50295     1.15984  0.800556 0.366423  0.588044 0.288633  
1 1 1 61 18 24 o 0.712726 0.316833  0.211574     0.911145 2.50013      1.32439  -1.845       1.25548  1.22235  0.432387  0.583753 0.288937  
1 1 1 61 18 25 o 0.675888 0.309797  0.0695636    0.954681 -0.584412    1.28315  0.880452     1.42882  0.670812 0.323122  0.85431  0.387498  
1 1 1 61 18 26 o 1.8985   0.272298  4.67397      1.03391  5.5715       1.47264  3.80153      1.45192  1.80984  0.415406  1.35052  0.454269  
1 1 1 61 18 27 o 0.544221 0.26747   -1.00795     1.00147  -1.38701     1.36458  -0.565433    1.47438  0.598691 0.2973    0.6732   0.329099  
1 1 1 61 19 0  o 5.50538  0.116392  30.4935      1.28027  30.4935      1.28027  30.4935      1.28027  5.51376  0.0821348 ?        ?         
1 1 1 61 19 1  o 2.93755  0.10552   8.69684      0.61994  7.97518      0.855058 9.49658      0.900133 2.8012   0.152624  3.05847  0.147154  
1 1 1 61 19 2  o 2.88543  0.107241  8.39374      0.618872 8.0502       0.843028 8.79526      0.911401 2.81499  0.149739  2.94074  0.154961  
1 1 1 61 19 3  f 1.26523  0.207453  1.65056      0.524951 2.51383      0.7148   0.639822     0.773448 1.55622  0.229659  0.865167 0.326841  
1 1 1 61 19 4  o 2.08199  0.130923  4.38959      0.545159 4.23627      0.768882 4.54459      0.773077 2.03162  0.189229  2.10585  0.183555  
1 1 1 61 19 5  o 2.9025   0.101114  8.4888       0.586968 8.81435      0.832172 8.16648      0.828039 2.94711  0.141184  2.83529  0.146024  
1 1 1 61 19 6  o 1.75142  0.174335  3.13752      0.610667 3.56898      0.77588  2.43512      0.989943 1.85904  0.208678  1.471    0.342559  
1 1 1 61 19 7  o 3.49323  0.117418  12.33        0.820336 12.6076      1.18111  12.0714      1.14023  3.51329  0.168092  3.43875  0.165791  
1 1 1 61 19 8  o 1.12324  0.320306  1.40084      0.7549   1.05357      1.09335  1.71722      1.04357  1.04743  0.390115  1.23271  0.383166  
1 1 1 61 19 9  o 1.84971  0.205106  3.53278      0.758774 3.71217      1.09767  3.36863      1.05005  1.86517  0.294256  1.77626  0.295578  
1 1 1 61 19 10 o 3.76188  0.11703   14.3134      0.880508 15.9119      1.31531  13.0152      1.18527  3.9436   0.166765  3.56693  0.166147  
1 1 1 61 19 11 o 2.828    0.142337  8.13967      0.805059 6.52626      1.17056  9.58782      1.10899  2.49526  0.234556  3.05264  0.181644  
1 1 1 61 19 12 o 1.88265  0.210267  3.68455      0.791721 4.87227      1.174    2.69381      1.07223  2.13616  0.274792  1.53016  0.356628  
1 1 1 61 19 13 o 2.17752  0.184506  4.90318      0.803529 4.87626      1.18178  4.92633      1.0958   2.12811  0.27766   2.15119  0.254697  
1 1 1 61 19 14 o 1.7188   0.244495  3.14905      0.840476 2.28585      1.14521  4.15675      1.23735  1.37234  0.395547  1.9322   0.320193  
1 1 1 61 19 15 o 1.14761  0.331886  1.53708      0.804918 2.23417      1.14642  0.859339     1.1304   1.34843  0.398066  0.974597 0.387758  
1 1 1 61 19 16 o 2.31643  0.175479  5.5725       0.812973 5.72618      1.13224  5.40895      1.16803  2.30753  0.245337  2.23197  0.261659  
1 1 1 61 19 17 o 0.5458   0.260294  -0.82386     0.781997 -0.543845    1.10948  -1.1003      1.10238  0.710926 0.329069  0.6418   0.306782  
1 1 1 61 19 18 o 1.13061  0.325813  1.53354      0.777082 1.65462      1.14506  1.43017      1.05802  1.14944  0.402496  1.08718  0.386274  
1 1 1 61 19 19 f 1.32756  0.303982  2.09845      0.790114 1.79012      1.1423   2.38128      1.09404  1.16887  0.402706  1.35133  0.38568   
1 1 1 61 19 20 o 0.937979 0.337406  1.03656      0.809464 1.38619      1.20355  0.747786     1.09381  1.05099  0.404641  0.8989   0.372322  
1 1 1 61 19 21 f 1.71893  0.254299  3.34175      0.874242 3.46748      1.28459  3.23328      1.19319  1.59081  0.403081  1.55367  0.385372  
1 1 1 61 19 22 o 2.50208  0.190317  6.81202      0.952374 6.28343      1.35676  7.32546      1.33718  2.27307  0.298441  2.49817  0.267631  
1 1 1 61 19 23 o 1.33952  0.350712  2.47827      0.950592 2.90927      1.37789  2.08684      1.31313  1.31798  0.442536  1.13033  0.426205  
1 1 1 61 19 24 o 1.13425  0.364766  1.91093      0.937797 3.70392      1.41545  0.508065     1.25203  1.47994  0.44352   0.811703 0.365732  
1 1 1 61 19 25 o 0.651818 0.305231  -0.0752696   0.994156 0.0292531    1.38965  -0.184845    1.42284  0.73131  0.348159  0.715944 0.343733  
1 1 1 61 19 26 o 0.749417 0.333792  0.590481     1.01572  0.767568     1.42464  0.407398     1.44856  0.80607  0.373024  0.767688 0.361408  
1 1 1 61 19 27 o 0.49576  0.24788   -1.60419     1.05111  -2.2211      1.46674  -0.95288     1.50707  0.547047 0.276551  0.616947 0.307198  
1 1 1 61 20 0  o 1.50384  0.345498  2.6651       0.903491 2.6651       0.903491 2.6651       0.903491 1.58004  0.210497  ?        ?         
1 1 1 61 20 1  o 1.01898  0.275726  1.13496      0.575566 2.39072      0.814474 -0.117714    0.813473 1.48071  0.285205  0.690484 0.304063  
1 1 1 61 20 2  o 2.16599  0.130966  4.75193      0.56734  4.23903      0.773444 5.34935      0.834737 2.03147  0.190365  2.28445  0.1827    
1 1 1 61 20 3  f 3.44163  0.0931396 11.9222      0.641105 12.884       0.895785 10.9122      0.917938 3.56833  0.125519  3.27928  0.13996   
1 1 1 61 20 4  f 3.65455  0.0886801 13.4351      0.648171 13.9274      0.912747 12.9344      0.920608 3.71076  0.122986  3.57407  0.12879   
1 1 1 61 20 5  o 3.3513   0.0903496 11.3009      0.605577 11.4736      0.841551 11.1154      0.872095 3.36732  0.124959  3.3122   0.131649  
1 1 1 61 20 6  o 5.0261   0.105378  25.4763      1.05928  24.3499      1.49006  26.6273      1.50617  4.89128  0.152318  5.11788  0.147148  
1 1 1 61 20 7  o 1.32536  0.284085  1.92867      0.731258 2.53819      1.03834  1.32887      1.03002  1.49642  0.352365  1.11374  0.382529  
1 1 1 61 20 8  o 1.32067  0.286846  1.92407      0.736434 2.56566      1.06901  1.34458      1.01596  1.49721  0.360735  1.11367  0.379997  
1 1 1 61 20 9  o 1.55128  0.236369  2.52387      0.733347 1.36741      1.08274  3.50402      0.996798 1.12196  0.391532  1.81327  0.274862  
1 1 1 61 20 10 o 2.22823  0.181391  5.10888      0.808362 3.67312      1.20278  6.29164      1.09168  1.80137  0.346202  2.4554   0.222301  
1 1 1 61 20 11 o 3.43292  0.128097  11.9639      0.879492 10.8811      1.285    12.9181      1.2063   3.24022  0.198289  3.54703  0.170044  
1 1 1 61 20 12 o 2.93604  0.146272  8.80937      0.858922 7.49604      1.21293  10.1304      1.21648  2.6686   0.22726   3.12307  0.194756  
1 1 1 61 20 13 o 3.21566  0.130516  10.5374      0.839389 10.5293      1.21262  10.5449      1.16308  3.18063  0.190627  3.18827  0.1824    
1 1 1 61 20 14 o 2.87332  0.148966  8.47589      0.856053 9.00811      1.22901  7.97434      1.19307  2.92515  0.210076  2.7475   0.21712   
1 1 1 61 20 15 o 1.69717  0.230438  3.0716       0.782182 2.77872      1.12235  3.34818      1.09068  1.51396  0.372678  1.69581  0.333461  
1 1 1 61 20 16 o 0.809716 0.321986  0.535172     0.779059 1.32217      1.11308  -0.220606    1.09078  1.07398  0.394728  0.750973 0.339704  
1 1 1 61 20 17 f 2.49399  0.175154  6.50498      0.873666 6.64181      1.21867  6.36029      1.25315  2.46784  0.24691   2.40356  0.260687  
1 1 1 61 20 18 o 1.53134  0.280643  2.70413      0.827474 2.70501      1.18481  2.70329      1.15616  1.43456  0.39879   1.44091  0.391186  
1 1 1 61 20 19 o 0.501024 0.244002  -1.1402      0.785025 -0.956016    1.16485  -1.29346     1.06257  0.661244 0.315904  0.593101 0.287381  
1 1 1 61 20 20 o 0.652643 0.294384  -0.116398    0.813384 -0.310534    1.21913  0.0393473    1.09195  0.747448 0.34558   0.763273 0.342854  
1 1 1 61 20 21 o 0.65725  0.299838  -0.15988     0.881728 0.380597     1.28973  -0.634153    1.20816  0.838009 0.374609  0.690122 0.326688  
1 1 1 61 20 22 o 0.557588 0.26921   -0.893287    0.903514 -1.14297     1.26754  -0.635387    1.28823  0.643855 0.312567  0.696196 0.332509  
1 1 1 61 20 23 o 1.8911   0.261559  4.2756       0.989268 4.46026      1.39956  4.09121      1.39851  1.71726  0.412129  1.61485  0.426588  
1 1 1 61 20 24 o 0.595607 0.282242  -0.378551    0.903895 -1.84102     1.29767  0.99973      1.25977  0.573517 0.285501  0.851968 0.376396  
1 1 1 61 20 25 o 1.07829  0.385703  2.11142      1.05647  1.88896      1.45698  2.35806      1.53415  0.949583 0.412545  1.01362  0.431371  
1 1 1 61 20 26 o 0.767969 0.341142  0.787701     1.05399  0.824859     1.51132  0.752516     1.47065  0.791192 0.371541  0.782062 0.367119  
1 1 1 61 21 0  o 0.995646 0.417126  1.46566      0.828717 1.46566      0.828717 1.46566      0.828717 1.08435  0.311927  ?        ?         
1 1 1 61 21 1  o 2.89791  0.111102  8.47702      0.643928 8.54775      0.884116 8.3971       0.939729 2.89799  0.15254   2.8685   0.163801  
1 1 1 61 21 2  o 1.21052  0.23605   1.57385      0.551098 1.74385      0.761904 1.38732      0.798096 1.25271  0.306251  1.11867  0.33259   
1 1 1 61 21 3  o 3.52463  0.0927035 12.5049      0.653491 13.2205      0.905044 11.7254      0.944574 3.61431  0.125203  3.39912  0.138944  
1 1 1 61 21 4  f 1.4421   0.182765  2.13318      0.527133 2.71529      0.724211 1.47729      0.768737 1.61683  0.223961  1.15142  0.321598  
1 1 1 61 21 5  o 3.03424  0.126334  9.32302      0.766655 9.8727       1.08055  8.76582      1.08792  3.10505  0.173999  2.92084  0.186234  
1 1 1 61 21 6  o 4.1928   0.105683  17.7421      0.886217 18.0719      1.24079  17.3987      1.26619  4.21352  0.147239  4.13128  0.153245  
1 1 1 61 21 7  o 1.44457  0.258152  2.2641       0.718935 1.21423      1.05919  3.16103      0.978999 1.07704  0.386104  1.71834  0.284868  
1 1 1 61 21 8  o 0.73021  0.30218   0.244129     0.719491 -0.0288294   1.04844  0.487103     0.989176 0.791081 0.346792  0.876744 0.357304  
1 1 1 61 21 9  o 2.94534  0.134045  8.81399      0.789619 10.1812      1.17058  7.6725       1.06962  3.14243  0.186254  2.72337  0.196377  
1 1 1 61 21 10 o 0.813519 0.323335  0.486676     0.78524  0.0775152    1.14944  0.844728     1.07526  0.837486 0.365152  0.976236 0.381095  
1 1 1 61 21 11 o 1.47228  0.275124  2.39909      0.780055 1.20233      1.12919  3.49155      1.07886  1.0683   0.396742  1.75725  0.318708  
1 1 1 61 21 12 o 3.25346  0.13089   10.7915      0.851691 9.30083      1.2047   12.281       1.20424  2.98096  0.202066  3.44478  0.174792  
1 1 1 61 21 13 o 4.18185  0.121335  17.8005      1.01481  18.6209      1.47199  17.0573      1.40096  4.23872  0.173637  4.05767  0.172631  
1 1 1 61 21 14 o 3.21289  0.139467  10.5744      0.896186 9.81534      1.27385  11.3183      1.26105  3.05049  0.208794  3.28917  0.191697  
1 1 1 61 21 15 o 1.99287  0.197855  4.17956      0.788597 4.90375      1.13614  3.50631      1.09546  2.11422  0.268689  1.73301  0.327986  
1 1 1 61 21 16 o 1.62044  0.246849  2.86351      0.800009 2.7427       1.13436  2.98306      1.12843  1.47786  0.381347  1.55389  0.368257  
1 1 1 61 21 17 o 2.43334  0.172968  6.21107      0.841778 6.11845      1.23542  6.29133      1.15006  2.34272  0.263672  2.39693  0.239903  
1 1 1 61 21 18 o 1.03326  0.340015  1.32043      0.813419 1.16752      1.15575  1.47052      1.14502  1.00024  0.39393   1.07344  0.399342  
1 1 1 61 21 19 o 1.53362  0.287774  2.77829      0.850123 2.17161      1.20463  3.38021      1.19989  1.24766  0.413779  1.60661  0.379091  
1 1 1 61 21 20 o 0.488567 0.241288  -1.54805     0.863415 -2.5186      1.24944  -0.660948    1.19452  0.551966 0.275519  0.686527 0.324917  
1 1 1 61 21 21 o 0.991726 0.356642  1.34584      0.904337 0.74233      1.3159   1.88599      1.2449   0.88109  0.387368  1.10537  0.415365  
1 1 1 61 21 22 o 0.710026 0.315578  0.206908     0.903591 0.163508     1.24442  0.255311     1.31418  0.774792 0.354531  0.798725 0.365003  
1 1 1 61 21 23 f 0.663887 0.305385  -0.00318888  0.936903 0.261416     1.44942  -0.193099    1.22792  0.787035 0.368551  0.702938 0.331458  
1 1 1 61 21 24 o 1.18648  0.368786  2.31417      0.966723 3.35161      1.34349  1.20026      1.39212  1.30354  0.436976  0.86172  0.387096  
1 1 1 61 21 25 o 1.00808  0.38358   1.85394      1.07167  2.12906      1.55642  1.60591      1.47778  0.977621 0.425584  0.908328 0.40366   
1 1 1 61 21 26 o 0.46771  0.235349  -1.76841     0.992583 -0.586621    1.48254  -2.72851     1.33627  0.62969  0.312233  0.497744 0.253496  
1 1 1 61 22 0  o 1.65762  0.278526  3.04218      0.844976 3.04218      0.844976 3.04218      0.844976 1.70591  0.179684  ?        ?         
1 1 1 61 22 1  o 3.46367  0.0984246 12.092       0.68182  12.131       0.942663 12.0493      0.987368 3.4568   0.136349  3.44241  0.143412  
1 1 1 61 22 2  o 2.66243  0.113353  7.16395      0.603589 7.4612       0.851054 6.86312      0.856176 2.70399  0.15737   2.59069  0.165241  
1 1 1 61 22 3  o 3.61657  0.0941982 13.1776      0.681349 12.4633      0.955563 13.9164      0.971787 3.50299  0.136393  3.70371  0.131191  
1 1 1 61 22 4  o 1.79954  0.143151  3.29606      0.515212 3.85947      0.696491 2.6152       0.76565  1.93763  0.179728  1.57741  0.242692  
1 1 1 61 22 5  o 2.21528  0.167622  5.02827      0.74266  6.66922      1.06503  3.47518      1.03613  2.53402  0.210146  1.80014  0.287791  
1 1 1 61 22 6  o 1.99563  0.180199  4.0964       0.719222 4.13133      1.04958  4.06548      0.98752  1.97196  0.266126  1.96231  0.251622  
1 1 1 61 22 7  o 0.653142 0.285278  -0.0484994   0.70414  -0.83498     1.04447  0.606765     0.953366 0.666054 0.31207   0.894971 0.356095  
1 1 1 61 22 8  o 2.39281  0.162877  5.87021      0.77947  4.30844      1.1386   7.24773      1.06933  2.0001   0.284637  2.64122  0.202431  
1 1 1 61 22 9  o 3.46671  0.124826  12.2103      0.86547  11.2813      1.21574  13.1648      1.23235  3.30217  0.184082  3.57456  0.172377  
1 1 1 61 22 10 o 2.11372  0.190962  4.64639      0.807282 4.22386      1.15266  5.05318      1.13099  1.96446  0.293377  2.16841  0.260787  
1 1 1 61 22 11 o 2.60437  0.155851  6.97468      0.811789 5.63238      1.18377  8.16632      1.11536  2.28561  0.258963  2.79352  0.199634  
1 1 1 61 22 12 o 0.448936 0.222358  -1.58833     0.746689 -0.737126    1.08051  -2.36641     1.03305  0.68029  0.318501  0.509808 0.253917  
1 1 1 61 22 13 o 1.71189  0.235378  3.13584      0.805883 2.69218      1.1776   3.52664      1.10522  1.47496  0.39228   1.74317  0.329036  
1 1 1 61 22 14 o 1.41986  0.288812  2.30115      0.79165  2.40399      1.11552  2.19681      1.12365  1.38838  0.38728   1.32357  0.394866  
1 1 1 61 22 15 o 0.696853 0.301711  0.105049     0.774265 -1.47241     1.09072  1.70738      1.09928  0.596461 0.289681  1.16769  0.395272  
1 1 1 61 22 16 o 1.25648  0.311619  1.89018      0.780261 2.09273      1.14684  1.71562      1.06465  1.26089  0.403165  1.15772  0.388996  
1 1 1 61 22 17 o 1.48689  0.273914  2.56265      0.784022 2.05794      1.12174  3.04469      1.09625  1.23705  0.39905   1.54896  0.360334  
1 1 1 61 22 18 o 1.02543  0.339141  1.31094      0.809239 2.18661      1.14374  0.433149     1.14513  1.26317  0.402492  0.844138 0.366221  
1 1 1 61 22 19 o 0.935717 0.345988  1.0737       0.856883 1.33472      1.19873  0.800973     1.22534  1.01393  0.400594  0.907389 0.385821  
1 1 1 61 22 20 o 0.710652 0.31502   0.17068      0.892472 0.137008     1.25854  0.204741     1.26578  0.787427 0.358955  0.797847 0.362705  
1 1 1 61 22 21 o 0.676081 0.306203  0.0272974    0.888936 -0.72891     1.25949  0.777902     1.25481  0.677494 0.324818  0.869566 0.380308  
1 1 1 61 22 22 o 0.954515 0.349893  1.30369      0.87408  0.835705     1.23713  1.77018      1.23515  0.858687 0.376567  1.03864  0.407811  
1 1 1 61 22 23 o 0.748452 0.329081  0.581506     0.949842 1.08929      1.35085  0.0849431    1.33584  0.856348 0.38308   0.730861 0.344944  
1 1 1 61 22 24 o 2.13873  0.253805  5.74602      1.08564  5.8567       1.61473  5.65472      1.4666   1.77454  0.453286  1.84004  0.409239  
1 1 1 61 22 25 o 0.88995  0.362744  1.51323      1.01969  2.64129      1.48415  0.504644     1.40336  1.00233  0.425348  0.730713 0.34853   
1 1 1 61 23 0  o 0.950722 0.415632  1.36995      0.816399 1.36995      0.816399 1.36995      0.816399 1.03336  0.319897  ?        ?         
1 1 1 61 23 1  o 1.67126  0.180612  2.87327      0.6037   3.22516      0.817459 2.4511       0.895372 1.75448  0.232964  1.47991  0.312232  
1 1 1 61 23 2  o 1.62052  0.176065  2.69779      0.570634 2.37215      0.792733 3.04797      0.822062 1.47024  0.279676  1.70265  0.241406  
1 1 1 61 23 3  o 1.9371   0.142406  3.81954      0.55171  4.23327      0.746012 3.32011      0.819648 2.02736  0.183986  1.78088  0.230125  
1 1 1 61 23 4  o 2.15199  0.146451  4.71948      0.630323 5.87218      0.806592 2.91133      1.01021  2.39311  0.168524  1.6092   0.325265  
1 1 1 61 23 5  o 0.791619 0.311442  0.471845     0.72171  0.167624     1.03652  0.758122     1.00549  0.820956 0.352132  0.942893 0.368432  
1 1 1 61 23 6  o 1.441    0.265462  2.27535      0.73638  2.301        1.09553  2.25421      0.99457  1.39577  0.381621  1.39264  0.355752  
1 1 1 61 23 7  o 1.81669  0.206149  3.44461      0.749018 3.93622      1.13507  3.06541      0.996879 1.89917  0.298832  1.64947  0.313502  
1 1 1 61 23 8  o 1.19322  0.312125  1.6301       0.753355 2.22049      1.10474  1.1169       1.02999  1.35854  0.387506  1.03062  0.379621  
1 1 1 61 23 9  o 2.29414  0.171273  5.43961      0.785851 6.39595      1.11383  4.4917       1.10891  2.45767  0.226603  2.03446  0.272531  
1 1 1 61 23 10 o 2.28691  0.173327  5.41859      0.792765 4.51215      1.11878  6.33273      1.12352  2.03418  0.274994  2.44035  0.230196  
1 1 1 61 23 11 o 0.66588  0.293828  -0.0630537   0.764556 -1.48266     1.13325  1.12289      1.0358   0.617542 0.298754  1.02198  0.379893  
1 1 1 61 23 12 o 1.55349  0.250213  2.6078       0.777408 2.64772      1.14639  2.57381      1.05779  1.46471  0.385904  1.45862  0.363492  
1 1 1 61 23 13 o 0.762407 0.311458  0.391325     0.753436 0.622252     1.09305  0.18228      1.03997  0.902699 0.37294   0.801809 0.348446  
1 1 1 61 23 14 o 0.725881 0.307762  0.234365     0.775877 0.294807     1.09081  0.172473     1.10381  0.829909 0.3587    0.811715 0.355836  
1 1 1 61 23 15 o 0.769488 0.316268  0.425997     0.781615 0.884453     1.10744  -0.0290549   1.10332  0.943636 0.380546  0.769841 0.345247  
1 1 1 61 23 16 o 2.21233  0.19081   5.21948      0.844266 4.72945      1.21212  5.68123      1.17662  2.01471  0.300816  2.24711  0.261807  
1 1 1 61 23 17 o 1.43666  0.300131  2.47551      0.834312 2.18067      1.15146  2.80139      1.21055  1.26095  0.404056  1.43189  0.404749  
1 1 1 61 23 18 o 0.669499 0.300793  -0.0445556   0.840844 1.00464      1.16051  -1.20403     1.21998  0.943422 0.386165  0.643349 0.31102   
1 1 1 61 23 19 f 1.67958  0.255335  3.27502      0.857713 2.47993      1.19412  4.12243      1.23278  1.28296  0.41151   1.75249  0.363871  
1 1 1 61 23 20 o 0.819033 0.333889  0.745375     0.864046 1.83384      1.29864  -0.119214    1.15741  1.07476  0.418966  0.722768 0.335144  
1 1 1 61 23 21 o 1.1852   0.361587  2.04196      0.935199 1.76618      1.29572  2.34186      1.35116  1.04462  0.415294  1.16551  0.433761  
1 1 1 61 23 22 o 0.71542  0.318626  0.39541      0.925366 1.5491       1.27688  -0.880768    1.34295  0.942646 0.396994  0.648881 0.316568  
1 1 1 61 23 23 o 0.831575 0.347039  1.05737      0.961483 0.610507     1.45562  1.40325      1.28062  0.782654 0.367006  0.88559  0.385782  
1 1 1 61 23 24 o 1.13275  0.387517  2.35824      1.05657  2.45952      1.75378  2.30054      1.32376  0.973808 0.436035  1.02761  0.415377  
1 1 1 61 24 0  o 0.43855  0.302354  -0.435173    0.831369 -0.435173    0.831369 -0.435173    0.831369 0.351713 0.244862  ?        ?         
1 1 1 61 24 1  o 1.54771  0.193936  2.48234      0.60031  2.46275      0.803946 2.50701      0.902511 1.49468  0.279301  1.49193  0.312515  
1 1 1 61 24 2  o 2.67778  0.121517  7.27411      0.650789 7.4246       0.872624 7.08551      0.976886 2.69056  0.162164  2.61784  0.186583  
1 1 1 61 24 3  o 3.11629  0.11405   9.83781      0.710829 10.5257      0.902075 8.71094      1.15453  3.21298  0.14038   2.89469  0.199422  
1 1 1 61 24 4  o 1.58808  0.230226  2.65962      0.731237 1.83673      1.03307  3.48587      1.03518  1.24863  0.379859  1.79211  0.288816  
1 1 1 61 24 5  o 0.624776 0.279439  -0.192373    0.718508 -0.323965    1.09141  -0.0917176   0.954537 0.748277 0.339074  0.738808 0.326862  
1 1 1 61 24 6  o 0.616625 0.277728  -0.234966    0.721294 -0.282138    1.05412  -0.193434    0.989107 0.739764 0.334326  0.731227 0.327435  
1 1 1 61 24 7  o 1.15357  0.315767  1.53395      0.749518 1.68408      1.08395  1.3964       1.03753  1.19001  0.392506  1.10442  0.383475  
1 1 1 61 24 8  o 0.8835   0.323373  0.786166     0.746358 -0.229358    1.07107  1.74474      1.04061  0.750124 0.338113  1.20565  0.38389   
1 1 1 61 24 9  o 1.17643  0.31319   1.60567      0.750158 2.9223       1.08357  0.393801     1.03957  1.56951  0.353666  0.851013 0.358296  
1 1 1 61 24 10 o 0.747635 0.30928   0.316637     0.753274 1.60102      1.08694  -0.870264    1.04488  1.15636  0.393048  0.649653 0.306163  
1 1 1 61 24 11 o 0.615811 0.280567  -0.320678    0.766585 -1.29734     1.18498  0.382216     1.00528  0.651416 0.31298   0.834143 0.35182   
1 1 1 61 24 12 o 2.02387  0.191162  4.30756      0.773771 4.02178      1.12035  4.56819      1.06994  1.89165  0.296132  2.04053  0.262174  
1 1 1 61 24 13 o 1.01418  0.328463  1.21505      0.759445 2.14032      1.13844  0.473138     1.01942  1.28692  0.400242  0.845595 0.355354  
1 1 1 61 24 14 o 2.19202  0.191277  5.09802      0.838567 5.28465      1.16844  4.8998       1.20419  2.17053  0.269161  2.0714   0.29067   
1 1 1 61 24 15 o 1.40878  0.304874  2.38205      0.834722 2.20812      1.15835  2.56994      1.20392  1.27504  0.404929  1.3734   0.408524  
1 1 1 61 24 16 o 1.3282   0.314675  2.16051      0.824138 1.16565      1.14511  3.22955      1.18703  0.993447 0.391839  1.56802  0.381592  
1 1 1 61 24 17 o 0.516749 0.251113  -1.09574     0.821703 -0.6962      1.11983  -1.56181     1.20947  0.666217 0.31497   0.610029 0.298183  
1 1 1 61 24 18 o 1.29707  0.330785  2.19865      0.86094  2.87697      1.20801  1.49848      1.22732  1.39865  0.407262  1.02951  0.405789  
1 1 1 61 24 19 o 0.958614 0.344723  1.24727      0.844895 2.38033      1.18076  0.0584157    1.20948  1.23492  0.409659  0.757829 0.347916  
1 1 1 61 24 20 o 0.66234  0.30191   -0.0382946   0.889954 -0.0914061   1.28607  0.0105073    1.23279  0.746281 0.348823  0.748918 0.346738  
1 1 1 61 24 21 o 0.612045 0.287471  -0.263434    0.906252 -0.255804    1.31024  -0.270432    1.25482  0.702456 0.335461  0.69095  0.329566  
1 1 1 61 24 22 o 0.559815 0.271786  -0.75942     0.958613 -1.5841      1.41364  -0.0573623   1.30432  0.603146 0.299935  0.702001 0.335114  
1 1 1 61 24 23 o 0.630883 0.295425  -0.0682898   0.931194 0.21198      1.39723  -0.292253    1.24901  0.736955 0.35002   0.667388 0.320816  
1 1 1 61 24 24 o 0.605197 0.288797  -0.0526576   0.966437 -0.168024    1.42784  0.0448814    1.31289  0.652345 0.320212  0.657106 0.318721  
1 1 1 61 25 0  o 1.0147   0.418507  1.5414       0.837749 1.5414       0.837749 1.5414       0.837749 1.11411  0.307801  ?        ?         
1 1 1 61 25 1  o 0.795287 0.291619  0.601357     0.607212 0.773854     0.774843 0.326832     0.977494 0.889098 0.328956  0.826234 0.347629  
1 1 1 61 25 2  o 1.36897  0.219017  1.97392      0.599657 2.23236      0.772991 1.58334      0.95029  1.41218  0.283672  1.16241  0.36651   
1 1 1 61 25 3  o 2.88859  0.113437  8.46519      0.655346 8.66319      0.791383 8.03312      1.16906  2.91298  0.135837  2.76501  0.211402  
1 1 1 61 25 4  o 0.597232 0.272484  -0.354102    0.72857  0.402716     1.04061  -1.08179     1.02039  0.857204 0.359574  0.619261 0.295804  
1 1 1 61 25 5  o 0.843467 0.316057  0.675341     0.719784 2.57836      1.0728   -0.882669    0.970695 1.46777  0.366237  0.622331 0.293816  
1 1 1 61 25 6  o 0.89374  0.319388  0.831706     0.724267 1.1889       1.03542  0.4895       1.01347  1.0422   0.380937  0.865901 0.358504  
1 1 1 61 25 7  o 1.68446  0.226747  3.01708      0.763894 3.47546      1.09885  2.58839      1.06268  1.73337  0.32888   1.468    0.363418  
1 1 1 61 25 8  o 1.75191  0.221706  3.2583       0.776818 4.25474      1.15303  2.43009      1.05119  1.95887  0.29431   1.41685  0.367804  
1 1 1 61 25 9  o 0.708546 0.301157  0.174561     0.74606  0.998296     1.09896  -0.529619    1.01608  0.993262 0.385778  0.682047 0.3154    
1 1 1 61 25 10 o 0.799755 0.318203  0.520092     0.76125  0.956533     1.14312  0.172299     1.02044  0.985645 0.390631  0.794689 0.345252  
1 1 1 61 25 11 o 0.717147 0.306681  0.181216     0.782084 0.782716     1.2285   -0.228681    1.01414  0.955806 0.395156  0.719624 0.326431  
1 1 1 61 25 12 o 1.5407   0.252602  2.61179      0.778367 3.25304      1.1325   2.03769      1.07158  1.62527  0.358053  1.26007  0.38759   
1 1 1 61 25 13 o 1.22433  0.325783  1.83397      0.811947 1.18178      1.13432  2.51924      1.16274  1.01007  0.392012  1.37823  0.398991  
1 1 1 61 25 14 o 1.51822  0.284021  2.69851      0.830464 3.11494      1.13812  2.22431      1.2145   1.55592  0.370536  1.27022  0.415471  
1 1 1 61 25 15 o 0.862694 0.334123  0.789024     0.823156 1.17824      1.09587  0.285101     1.24695  0.99201  0.385247  0.840512 0.372501  
1 1 1 61 25 16 o 1.43489  0.299612  2.50311      0.831782 3.27393      1.15625  1.67634      1.19747  1.57041  0.37315   1.0996   0.408523  
1 1 1 61 25 17 f 0.680584 0.302369  0.087787     0.828436 0.0734267    1.15528  0.102988     1.18861  0.761868 0.346392  0.773262 0.351514  
1 1 1 61 25 18 o 1.37811  0.317337  2.47225      0.857149 2.39036      1.15841  2.57135      1.27424  1.2449   0.405763  1.26294  0.425565  
1 1 1 61 25 19 o 0.644762 0.294031  -0.0745316   0.846189 0.408102     1.21544  -0.528488    1.17878  0.801346 0.360746  0.674938 0.321006  
1 1 1 61 25 20 o 1.94238  0.249565  4.576        0.969499 3.96674      1.39533  5.14467      1.34805  1.51011  0.43705   1.86777  0.374076  
1 1 1 61 25 21 o 0.653921 0.304044  0.0128202    0.960883 -1.25153     1.3889   1.1735       1.33075  0.622622 0.307141  0.860374 0.382671  
1 1 1 61 25 22 o 0.611158 0.289131  -0.274331    0.945038 2.46986      1.3653   -2.79849     1.30942  1.08426  0.427794  0.516935 0.261328  
1 1 1 61 25 23 o 0.891727 0.357875  1.51705      0.972726 3.16304      1.48597  0.282876     1.28673  1.07972  0.438632  0.693605 0.331521  
1 1 1 61 26 0  o 1.03166  0.423952  1.60349      0.86062  1.60349      0.86062  1.60349      0.86062  1.13651  0.310195  ?        ?         
1 1 1 61 26 1  f 1.96164  0.158043  3.96422      0.620048 4.68557      0.832105 3.06362      0.929761 2.11597  0.196625  1.67441  0.277638  
1 1 1 61 26 2  o 0.793948 0.291192  0.609602     0.605467 0.132099     0.758799 1.44641      1.00451  0.706369 0.302077  1.1133   0.377848  
1 1 1 61 26 3  o 1.12908  0.317885  1.48021      0.748161 1.41087      1.06511  1.54773      1.05115  1.10429  0.388048  1.14379  0.386521  
1 1 1 61 26 4  o 1.04335  0.316679  1.25198      0.718552 1.12712      1.02964  1.37051      1.00325  1.02279  0.379048  1.08892  0.377183  
1 1 1 61 26 5  o 1.56737  0.23369   2.62393      0.732559 3.33407      1.08156  2.02201      0.99574  1.69414  0.331014  1.29283  0.367615  
1 1 1 61 26 6  o 0.60969  0.276721  -0.2717      0.730241 -0.311408    1.05068  -0.234595    1.01564  0.72717  0.330542  0.726978 0.328378  
1 1 1 61 26 7  o 3.05266  0.136919  9.54713      0.835936 9.10134      1.20622  9.95908      1.15955  2.93665  0.205373  3.08511  0.187927  
1 1 1 61 26 8  o 1.01809  0.330018  1.20052      0.766532 0.724286     1.13874  1.5951       1.03653  0.934304 0.382495  1.14605  0.383824  
1 1 1 61 26 9  o 0.894103 0.32827   0.843113     0.769646 -0.0751376   1.14784  1.59317      1.0374   0.786136 0.35236   1.13964  0.383986  
1 1 1 61 26 10 o 2.15426  0.186632  4.88816      0.80411  3.96432      1.18459  5.6776       1.09504  1.82218  0.337728  2.28462  0.239656  
1 1 1 61 26 11 o 1.19804  0.3323    1.75351      0.823566 1.94081      1.18751  1.57994      1.14316  1.21409  0.410827  1.11799  0.401084  
1 1 1 61 26 12 o 2.18983  0.194925  5.11898      0.853704 5.36402      1.16267  4.83232      1.25754  2.18209  0.266413  2.03162  0.309492  
1 1 1 61 26 13 o 0.732631 0.313045  0.268569     0.813701 0.617946     1.11638  -0.127404    1.1885   0.876461 0.370263  0.768846 0.350038  
1 1 1 61 26 14 o 0.81741  0.328411  0.624351     0.820431 1.7706       1.12567  -0.674501    1.19826  1.14445  0.399234  0.698345 0.328746  
1 1 1 61 26 15 f 0.720635 0.313168  0.225774     0.840037 -1.08979     1.13765  1.803        1.24566  0.628535 0.303124  1.12481  0.416907  
1 1 1 61 26 16 o 1.76205  0.27427   3.67393      0.966555 4.58136      1.2438   2.29057      1.53572  1.87844  0.343878  1.17682  0.456252  
1 1 1 61 26 17 o 0.838436 0.333481  0.82761      0.835852 1.07437      1.15692  0.558165     1.20894  0.919169 0.381949  0.831376 0.367828  
1 1 1 61 26 18 o 0.787546 0.329375  0.626269     0.868983 2.29997      1.26783  -0.856698    1.1934   1.18153  0.422537  0.645736 0.311184  
1 1 1 61 26 19 o 1.39448  0.323664  2.67152      0.886061 2.75931      1.31104  2.5977       1.20218  1.23697  0.430917  1.23221  0.413358  
1 1 1 61 26 20 o 0.628454 0.293343  -0.0933549   0.905556 1.50041      1.40961  -1.21329     1.18164  0.913228 0.401214  0.582557 0.28693   
1 1 1 61 26 21 o 1.06754  0.370439  1.94932      0.968059 2.93205      1.44966  1.15838      1.30053  1.15082  0.44388   0.851779 0.37859   
1 1 1 61 26 22 o 0.584703 0.279436  -0.306457    0.913489 -0.207478    1.25466  -0.418116    1.3326   0.65788  0.317536  0.651689 0.317471  
1 1 1 61 27 0  o 1.13182  0.418964  1.83861      0.876625 1.83861      0.876625 1.83861      0.876625 1.24638  0.285972  ?        ?         
1 1 1 61 27 1  o 1.06969  0.284507  1.30632      0.619412 0.999054     0.81592  1.72429      0.951613 0.957631 0.339317  1.19699  0.364659  
1 1 1 61 27 2  o 2.75498  0.122957  7.73644      0.677486 8.30584      0.826963 6.57429      1.18144  2.84372  0.145402  2.47529  0.238646  
1 1 1 61 27 3  o 1.89941  0.205239  3.80415      0.779667 4.66656      1.14392  3.05594      1.06548  2.05967  0.277695  1.60845  0.341531  
1 1 1 61 27 4  o 0.671423 0.288557  0.0953194    0.69841  -0.455702    1.06476  0.51142      0.925267 0.709026 0.3259    0.842114 0.344773  
1 1 1 61 27 5  o 0.597541 0.27097   -0.250623    0.698285 0.249311     1.0566   -0.63829     0.930434 0.820418 0.353794  0.632806 0.296139  
1 1 1 61 27 6  o 0.887581 0.320402  0.833846     0.730496 0.167059     1.055    1.44796      1.01247  0.802553 0.349876  1.10003  0.379116  
1 1 1 61 27 7  o 2.32015  0.166927  5.60146      0.774594 5.11214      1.14358  6.01626      1.05291  2.15352  0.265514  2.36939  0.22219   
1 1 1 61 27 8  o 2.49269  0.161512  6.46083      0.8052   6.60785      1.21641  6.34617      1.07424  2.4585   0.247388  2.43035  0.221006  
1 1 1 61 27 9  o 2.38122  0.172046  5.93901      0.819358 5.59799      1.22229  6.21731      1.10419  2.23502  0.273441  2.39279  0.230731  
1 1 1 61 27 10 o 1.56049  0.258175  2.71355      0.805761 2.32984      1.1067   3.1464       1.17544  1.33172  0.390467  1.56556  0.378935  
1 1 1 61 27 11 o 1.94223  0.220717  4.10837      0.85737  3.87915      1.19591  4.35076      1.22981  1.76507  0.351238  1.88377  0.338751  
1 1 1 61 27 12 o 0.86681  0.335561  0.795292     0.830057 1.65701      1.12428  -0.237259    1.23068  1.11849  0.398107  0.763682 0.35075   
1 1 1 61 27 13 o 1.43939  0.296963  2.48271      0.825705 3.10776      1.17123  1.86509      1.16425  1.53052  0.38314   1.1647   0.406045  
1 1 1 61 27 14 o 1.44195  0.311043  2.58224      0.871462 2.60439      1.14467  2.5517       1.34408  1.35878  0.396694  1.29383  0.437073  
1 1 1 61 27 15 o 0.758943 0.322369  0.448264     0.853873 -0.250628    1.16432  1.26155      1.256    0.717905 0.334138  0.976739 0.401093  
1 1 1 61 27 16 o 1.49774  0.304226  2.84924      0.879591 2.0682       1.23465  3.65422      1.25342  1.14074  0.416071  1.58083  0.396731  
1 1 1 61 27 17 o 0.892024 0.339192  1.04255      0.837525 0.601433     1.19675  1.46598      1.1725   0.829847 0.366711  0.993991 0.395089  
1 1 1 61 27 18 o 0.810319 0.332776  0.80726      0.864633 1.24143      1.28675  0.449843     1.16749  0.916118 0.392624  0.779206 0.352015  
1 1 1 61 27 19 o 0.808292 0.335137  0.894479     0.887662 1.6904       1.38844  0.344275     1.1544   0.947551 0.407028  0.736809 0.338952  
1 1 1 61 27 20 o 0.601178 0.284029  -0.264975    0.909243 -1.23871     1.31228  0.634132     1.26099  0.604065 0.298121  0.774768 0.355506  
1 1 1 61 27 21 o 0.712775 0.318151  0.513537     0.927183 -1.66313     1.3058   2.72684      1.31674  0.567567 0.283075  1.1192   0.425382  
1 1 1 61 28 0  o 2.21826  0.212554  5.20292      0.923114 5.20292      0.923114 5.20292      0.923114 2.25049  0.146444  ?        ?         
1 1 1 61 28 1  o 1.77123  0.178841  3.27718      0.633536 3.13143      0.846525 3.46275      0.955198 1.69743  0.249355  1.7732   0.269343  
1 1 1 61 28 2  o 2.15618  0.189526  4.88441      0.817305 5.49813      1.22214  4.38789      1.09928  2.22976  0.274053  1.9905   0.276132  
1 1 1 61 28 3  o 1.88099  0.197611  3.73621      0.743409 2.7394       1.13466  4.48593      0.984034 1.48137  0.380908  2.03454  0.241832  
1 1 1 61 28 4  o 0.976807 0.324137  1.10243      0.739223 0.559209     1.1166   1.52629      0.98632  0.889052 0.372681  1.11822  0.374412  
1 1 1 61 28 5  o 1.73542  0.217826  3.22776      0.756039 2.53267      1.13084  3.78955      1.01665  1.41058  0.388632  1.84393  0.275675  
1 1 1 61 28 6  o 0.733394 0.303993  0.33176      0.730016 0.320406     1.0751   0.341474     0.994409 0.827206 0.356802  0.810674 0.346218  
1 1 1 61 28 7  o 1.43227  0.279924  2.36419      0.773253 3.44195      1.17644  1.54443      1.02601  1.66318  0.363681  1.10996  0.38173   
1 1 1 61 28 8  o 1.19338  0.331754  1.75373      0.819954 1.30628      1.17132  2.1837       1.1482   1.04204  0.399699  1.27969  0.402749  
1 1 1 61 28 9  o 1.12652  0.333874  1.579        0.805125 2.29852      1.11151  0.784747     1.16781  1.31208  0.392991  0.920655 0.383227  
1 1 1 61 28 10 o 1.90531  0.222794  3.96696      0.848985 3.86019      1.12529  4.10803      1.2935   1.78028  0.328371  1.79122  0.373334  
1 1 1 61 28 11 o 0.827926 0.330055  0.662201     0.82048  0.721661     1.15528  0.601688     1.16546  0.899395 0.378143  0.878131 0.374914  
1 1 1 61 28 12 f 1.72103  0.250202  3.34152      0.86121  3.37868      1.21168  3.30358      1.22428  1.58851  0.384885  1.56151  0.392219  
1 1 1 61 28 13 o 1.65131  0.271572  3.1883       0.8969   2.26121      1.24757  4.18004      1.29033  1.22775  0.421059  1.76177  0.377139  
1 1 1 61 28 14 o 1.67652  0.265059  3.30975      0.888754 3.2408       1.23418  3.38402      1.2809   1.48675  0.404409  1.50964  0.412597  
1 1 1 61 28 15 o 0.722934 0.314633  0.326326     0.85028  0.520938     1.20427  0.132871     1.20069  0.823514 0.36538   0.765861 0.349527  
1 1 1 61 28 16 o 0.904877 0.343093  1.08979      0.854871 0.787165     1.22721  1.37507      1.19152  0.862876 0.376752  0.972162 0.393621  
1 1 1 61 28 17 o 1.39552  0.320461  2.65427      0.876062 2.29642      1.31113  2.9429       1.1775   1.12705  0.425611  1.34464  0.404839  
1 1 1 61 28 18 o 0.877963 0.340323  1.16638      0.854367 0.621444     1.20365  1.71973      1.21292  0.781325 0.354793  0.972183 0.395837  
1 1 1 61 28 19 o 1.34339  0.337987  2.70797      0.908003 3.22499      1.2675   2.16292      1.30139  1.296    0.424439  1.02604  0.413043  
1 1 1 61 28 20 o 0.753076 0.327069  0.717535     0.915237 0.553877     1.33748  0.861657     1.25512  0.759788 0.355366  0.794197 0.36108   
1 1 1 61 28 21 o 0.609219 0.287201  0.0443785    0.920896 -0.839594    1.29921  0.936931     1.3055   0.589063 0.292138  0.744406 0.3488    
1 1 1 61 29 0  o 1.69191  0.345737  3.40505      1.03427  3.40505      1.03427  3.40505      1.03427  1.77967  0.212316  ?        ?         
1 1 1 61 29 1  o 2.31903  0.17375   5.63207      0.805862 5.12286      1.2082   6.04015      1.0816   2.13302  0.283214  2.36239  0.228921  
1 1 1 61 29 2  o 0.890138 0.333792  0.835431     0.803126 0.0665562    1.17718  1.50494      1.09848  0.808573 0.359764  1.10219  0.393392  
1 1 1 61 29 3  o 4.50796  0.10861   20.7057      0.979217 20.7765      1.48095  20.6506      1.30527  4.46001  0.166025  4.46802  0.146068  
1 1 1 61 29 4  f 0.683676 0.297309  0.0927282    0.758086 -0.34775     1.18116  0.401268     0.988559 0.746199 0.343098  0.816735 0.346888  
1 1 1 61 29 5  o 2.87443  0.145738  8.55994      0.837826 9.38256      1.31823  8.00245      1.0852   2.93954  0.224224  2.73858  0.198133  
1 1 1 61 29 6  o 1.17862  0.334424  1.7252       0.824906 2.63177      1.25789  1.04113      1.09267  1.38513  0.418713  0.969178 0.382605  
1 1 1 61 29 7  o 3.53907  0.146192  13.0146      1.03477  13.9727      1.49068  12.1236      1.43753  3.59956  0.207064  3.34348  0.214975  
1 1 1 61 29 8  o 2.51679  0.177572  6.70766      0.893823 4.80656      1.23348  8.80969      1.29703  2.02467  0.304612  2.83332  0.228888  
1 1 1 61 29 9  o 0.582988 0.274091  -0.5981      0.827786 -1.45646     1.13949  0.361054     1.20454  0.602962 0.293704  0.844617 0.370978  
1 1 1 61 29 10 o 2.2557   0.201323  5.49556      0.908251 4.85118      1.20802  6.33348      1.37753  2.03185  0.297271  2.32242  0.296573  
1 1 1 61 29 11 o 1.25997  0.337745  2.05423      0.868658 0.400362     1.2703   3.50686      1.19051  0.846207 0.375379  1.62075  0.374511  
1 1 1 61 29 12 o 2.29801  0.19768   5.77454      0.908539 5.38248      1.23589  6.23556      1.34017  2.11443  0.29225   2.27235  0.294888  
1 1 1 61 29 13 o 0.905185 0.343202  1.04794      0.855395 1.93381      1.2455   0.257038     1.17684  1.1159   0.416225  0.784613 0.353995  
1 1 1 61 29 14 o 0.720786 0.311768  0.347121     0.825205 0.860785     1.13732  -0.22392     1.19916  0.872938 0.371455  0.71794  0.336022  
1 1 1 61 29 15 o 0.799742 0.326309  0.709632     0.825985 0.826245     1.15335  0.58685      1.18346  0.860443 0.37033   0.823186 0.364103  
1 1 1 61 29 16 o 0.734749 0.316715  0.501927     0.846039 0.754117     1.24933  0.288315     1.14981  0.828936 0.369674  0.749205 0.341974  
1 1 1 61 29 17 o 1.9078   0.226499  4.34647      0.86423  4.82863      1.22507  3.8688       1.21936  1.81787  0.349419  1.54184  0.393935  
1 1 1 61 29 18 o 0.70728  0.312491  0.472136     0.868479 1.53265      1.23121  -0.578121    1.22524  0.913007 0.387425  0.636908 0.308603  
1 1 1 61 29 19 o 1.17154  0.360891  2.26651      0.928568 2.07972      1.28551  2.47031      1.34275  1.00047  0.407459  1.06716  0.423233  
1 1 1 61 29 20 o 1.04237  0.364774  2.12353      0.940359 1.43204      1.3387   2.79708      1.32121  0.804064 0.367838  1.03162  0.41581   
1 1 1 61 30 0  o 0.563699 0.375117  0.0306742    1.08596  0.0306742    1.08596  0.0306742    1.08596  0.486072 0.32056   ?        ?         
1 1 1 61 30 1  o 1.74108  0.238643  3.33933      0.830993 4.18312      1.1339   2.36033      1.22138  1.89941  0.298487  1.31253  0.415695  
1 1 1 61 30 2  o 2.95665  0.144464  9.07115      0.854259 8.74418      1.22405  9.38162      1.19277  2.84009  0.215495  2.95597  0.201755  
1 1 1 61 30 3  o 1.71862  0.223877  3.22322      0.769521 3.94905      1.17448  2.67726      1.01862  1.79269  0.3399    1.45556  0.35303   
1 1 1 61 30 4  o 1.22729  0.331084  1.87486      0.831441 2.11222      1.1617   1.62559      1.1905   1.24627  0.406339  1.11213  0.408276  
1 1 1 61 30 5  o 2.61001  0.166794  7.16542      0.870669 8.06304      1.30429  6.44392      1.16935  2.69704  0.2418    2.41034  0.24257   
1 1 1 61 30 6  o 1.32128  0.319385  2.14737      0.835876 2.50425      1.20191  1.81307      1.16325  1.34849  0.409622  1.15775  0.405656  
1 1 1 61 30 7  o 0.704358 0.306244  0.161177     0.804048 1.10425      1.13714  -0.781732    1.13705  0.977674 0.388935  0.668465 0.316668  
1 1 1 61 30 8  f 1.13279  0.340446  1.63704      0.8332   1.32117      1.15739  1.97683      1.20043  1.0236   0.396243  1.18867  0.412506  
1 1 1 61 30 9  o 0.556491 0.266923  -0.844957    0.852911 -2.0133      1.15806  0.540054     1.26088  0.558561 0.276719  0.86902  0.380638  
1 1 1 61 30 10 o 1.7673   0.234081  3.5222       0.82738  2.93103      1.17572  4.10218      1.16454  1.43659  0.396477  1.79079  0.337507  
1 1 1 61 30 11 o 0.910093 0.341434  1.0501       0.840515 0.597141     1.15836  1.55377      1.22148  0.840834 0.36659   1.03538  0.405772  
1 1 1 61 30 12 o 0.975261 0.344355  1.2979       0.839666 1.14726      1.17775  1.45361      1.19743  0.935354 0.386816  1.00016  0.398726  
1 1 1 61 30 13 o 0.649257 0.29476   -0.028205    0.829817 -0.627774    1.2022   0.517417     1.14684  0.672798 0.321305  0.812011 0.358886  
1 1 1 61 30 14 o 1.1086   0.346202  1.74322      0.850609 1.29147      1.20025  2.19904      1.20565  0.949735 0.391398  1.16033  0.412336  
1 1 1 61 30 15 o 1.48702  0.296058  2.92271      0.849256 2.24689      1.16713  3.68317      1.23806  1.13049  0.405298  1.50925  0.402601  
1 1 1 61 30 16 o 0.599879 0.279568  -0.136769    0.818452 -0.085055    1.17525  -0.185468    1.14047  0.685257 0.323458  0.667716 0.316706  
1 1 1 61 30 17 o 1.1175   0.354941  2.02235      0.889982 0.629049     1.24395  3.4834       1.27383  0.772198 0.353811  1.36504  0.423138  
1 1 1 61 30 18 o 0.554139 0.266714  -0.5403      0.870043 0.280994     1.24445  -1.32559     1.21687  0.721668 0.338577  0.573066 0.283844  
1 1 1 61 30 19 o 1.41598  0.326134  3.16755      0.905157 4.26845      1.28424  2.08081      1.27597  1.42449  0.421567  0.910039 0.390529  
1 1 1 61 31 0  o 1.47567  0.444802  3.0042       1.14248  3.0042       1.14248  3.0042       1.14248  1.62457  0.271459  ?        ?         
1 1 1 61 31 1  f 1.86567  0.234203  3.84351      0.873893 3.88893      1.18552  3.78945      1.29324  1.7653   0.348182  1.69805  0.388965  
1 1 1 61 31 2  o 1.55063  0.296764  2.86061      0.887525 2.38826      1.20408  3.42256      1.31333  1.31212  0.412328  1.58402  0.411074  
1 1 1 61 31 3  o 2.40911  0.196933  6.23604      0.948865 5.52456      1.31123  7.0182       1.37482  2.16824  0.302372  2.47247  0.278027  
1 1 1 61 31 4  o 2.16905  0.217322  5.13544      0.942763 4.86614      1.23111  5.51729      1.46597  2.03264  0.302834  2.1156   0.346467  
1 1 1 61 31 5  f 1.96252  0.219663  4.21772      0.862184 4.33178      1.18928  4.09136      1.25175  1.906    0.311982  1.78896  0.3625    
1 1 1 61 31 6  o 0.743639 0.315816  0.346431     0.819275 0.941546     1.1377   -0.294581    1.18076  0.931165 0.38195   0.733653 0.339545  
1 1 1 61 31 7  o 1.23817  0.34065   1.99859      0.86959  1.18651      1.18861  2.93382      1.27556  0.977709 0.394263  1.41761  0.420264  
1 1 1 61 31 8  o 1.49511  0.296734  2.74306      0.855768 2.74933      1.18513  2.73622      1.23701  1.37759  0.404113  1.35711  0.416231  
1 1 1 61 31 9  o 2.03032  0.215071  4.59815      0.873329 5.58086      1.27454  3.72839      1.19906  2.13794  0.298077  1.65066  0.372094  
1 1 1 61 31 10 o 1.98152  0.210982  4.38839      0.83613  4.76237      1.17775  4.00836      1.18724  1.96252  0.300061  1.72365  0.356488  
1 1 1 61 31 11 f 0.935399 0.349711  1.17957      0.88025  1.76231      1.29462  0.678533     1.20044  1.05853  0.416912  0.847745 0.37136   
1 1 1 61 31 12 o 0.770437 0.323635  0.569629     0.844976 -0.35716     1.23367  1.38862      1.15971  0.706691 0.332936  0.976565 0.391243  
1 1 1 61 31 13 o 0.786237 0.324545  0.688706     0.826655 1.84218      1.18897  -0.390644    1.15013  1.0598   0.403804  0.674748 0.319097  
1 1 1 61 31 14 o 1.34863  0.315173  2.524        0.835662 2.98569      1.1553   2.01738      1.21022  1.33451  0.400849  1.05249  0.405648  
1 1 1 61 31 15 f 0.740884 0.315284  0.638389     0.819457 0.781982     1.16212  0.496383     1.15568  0.795585 0.355621  0.75305  0.343469  
1 1 1 61 31 16 o 0.736413 0.318076  0.619804     0.856628 0.964552     1.20783  0.270886     1.21511  0.819706 0.364576  0.72472  0.338869  
1 1 1 61 31 17 o 0.720103 0.315762  0.568251     0.86969  1.04648      1.23287  0.0945531    1.22701  0.820476 0.366528  0.69723  0.329663  
1 1 1 61 31 18 o 0.86358  0.343809  1.41765      0.8892   1.17669      1.24036  1.67243      1.27541  0.775794 0.354557  0.843513 0.374917  
1 1 1 61 32 0  o 0.581563 0.391169  -0.0244838   1.25143  -0.0244838   1.25143  -0.0244838   1.25143  0.50177  0.335076  ?        ?         
1 1 1 61 32 1  o 1.29688  0.354177  2.2054       0.944293 1.16749      1.35069  3.19771      1.32068  0.992993 0.412665  1.49066  0.42321   
1 1 1 61 32 2  o 1.05593  0.362603  1.46848      0.92547  0.936091     1.21372  2.20797      1.43045  0.934012 0.389858  1.2057   0.446786  
1 1 1 61 32 3  o 0.81114  0.339594  0.562733     0.925217 1.24205      1.24903  -0.263216    1.37725  0.993914 0.40277   0.778712 0.362814  
1 1 1 61 32 4  o 0.712186 0.314331  0.151809     0.875642 -0.342237    1.12772  0.901926     1.38957  0.705409 0.328523  0.937234 0.404967  
1 1 1 61 32 5  o 0.713594 0.313977  0.187214     0.865915 0.646674     1.1442   -0.428656    1.32471  0.857386 0.368933  0.740592 0.347792  
1 1 1 61 32 6  f 1.19683  0.352254  1.94522      0.899032 1.15177      1.16338  3.12149      1.4165   0.952851 0.387769  1.3979   0.448174  
1 1 1 61 32 7  o 1.36751  0.325449  2.43651      0.878458 1.99338      1.18529  2.97653      1.30847  1.14411  0.408613  1.38066  0.429029  
1 1 1 61 32 8  o 3.19291  0.150631  10.8102      0.961902 9.29844      1.30832  12.5887      1.41909  2.85783  0.228902  3.35526  0.211472  
1 1 1 61 32 9  o 1.30943  0.331734  2.29956      0.870178 1.66492      1.24222  2.91102      1.21933  1.04124  0.408932  1.37324  0.411671  
1 1 1 61 32 10 o 0.685001 0.304971  0.149217     0.847084 0.0429491    1.21845  0.248624     1.17846  0.753292 0.347214  0.773844 0.351307  
1 1 1 61 32 11 o 0.77377  0.328641  0.570422     0.887302 -0.91987     1.32929  1.76803      1.19163  0.669399 0.323793  1.05423  0.403505  
1 1 1 61 32 12 o 0.781769 0.322201  0.727479     0.813431 0.350319     1.16832  1.08231      1.13321  0.759932 0.346267  0.877621 0.372011  
1 1 1 61 32 13 o 0.488612 0.240243  -1.06304     0.809411 -0.74626     1.16768  -1.35604     1.12299  0.620965 0.301     0.560186 0.276302  
1 1 1 61 32 14 o 0.886891 0.342516  1.24188      0.863747 1.02893      1.26888  1.42576      1.1791   0.831919 0.371736  0.901178 0.380604  
1 1 1 61 32 15 o 0.655298 0.298178  0.174031     0.859828 0.159928     1.20432  0.188694     1.22798  0.711899 0.333827  0.718499 0.336953  
1 1 1 61 32 16 o 1.20958  0.354768  2.37932      0.913452 1.72985      1.28397  3.04491      1.29981  0.924612 0.394097  1.20338  0.428084  
1 1 1 61 32 17 o 0.506246 0.249084  -0.808049    0.872594 -0.304825    1.24582  -1.29267     1.22257  0.620204 0.303034  0.547457 0.273166  
1 1 1 61 33 0  o 0.496573 0.357267  -1.40013     1.53113  -1.40013     1.53113  -1.40013     1.53113  0.397716 0.287948  ?        ?         
1 1 1 61 33 1  o 1.34188  0.374852  2.52521      1.04433  3.23203      1.40479  1.652        1.56141  1.42639  0.444801  1.05251  0.44093   
1 1 1 61 33 2  o 2.13097  0.230022  5.14066      0.980337 4.97857      1.33136  5.33264      1.4489   1.9379   0.356881  1.9737   0.380638  
1 1 1 61 33 3  f 0.703799 0.315485  0.0958085    0.920367 -0.0331011   1.24275  0.252394     1.36968  0.760906 0.350698  0.821671 0.374539  
1 1 1 61 33 4  o 0.57345  0.273374  -0.645881    0.860418 -0.620782    1.11807  -0.682333    1.3474   0.657749 0.312736  0.709163 0.339026  
1 1 1 61 33 5  o 1.20598  0.347735  2.00562      0.884917 2.78389      1.16074  0.925506     1.36743  1.3652   0.399759  0.910071 0.397523  
1 1 1 61 33 6  o 0.591015 0.279902  -0.557516    0.88781  -0.739012    1.15606  -0.296592    1.38613  0.651447 0.312056  0.750078 0.35324   
1 1 1 61 33 7  o 1.54737  0.302603  3.0385       0.903076 3.61194      1.2185   2.33964      1.34516  1.57988  0.387948  1.18237  0.433995  
1 1 1 61 33 8  o 1.31153  0.338878  2.34849      0.895012 2.12313      1.18233  2.65094      1.36972  1.15431  0.408517  1.2453   0.439802  
1 1 1 61 33 9  o 0.601922 0.287453  -0.62546     0.962117 -0.829117    1.44253  -0.462271    1.29128  0.701864 0.339117  0.704721 0.335553  
1 1 1 61 33 10 o 1.90896  0.237174  4.30968      0.905509 4.47176      1.26997  4.14207      1.29146  1.74838  0.374062  1.64122  0.397165  
1 1 1 61 33 11 o 0.747797 0.322544  0.594213     0.878533 1.32013      1.26219  -0.0879734   1.22358  0.903985 0.38819   0.701969 0.330962  
1 1 1 61 33 12 o 0.560616 0.267216  -0.421609    0.821295 -1.18326     1.16776  0.323904     1.15532  0.580757 0.286056  0.731195 0.337435  
1 1 1 61 33 13 o 1.07592  0.356218  1.90582      0.892792 1.89675      1.30712  1.91375      1.22234  0.970459 0.404794  0.987816 0.399206  
1 1 1 61 33 14 o 1.06377  0.357033  1.85428      0.89688  0.121048     1.28414  3.50497      1.25319  0.718165 0.338732  1.39096  0.417421  
1 1 1 61 33 15 o 0.812748 0.339114  1.06149      0.917791 1.06363      1.30025  1.05936      1.29567  0.805327 0.366507  0.804722 0.366132  
1 1 1 61 33 16 o 0.767772 0.328795  1.01289      0.90117  0.0168898    1.29143  1.95818      1.25812  0.652501 0.316368  0.89271  0.385528  
1 1 1 61 34 0  o 2.775    0.282587  8.73683      1.53108  8.73683      1.53108  8.73683      1.53108  2.86906  0.190605  ?        ?         
1 1 1 61 34 1  o 0.996224 0.376169  1.42299      1.02411  1.27964      1.38106  1.5981       1.52646  0.963774 0.409694  1.01878  0.431799  
1 1 1 61 34 2  o 0.704276 0.320271  0.0383898    0.988688 1.07721      1.42038  -0.938041    1.37706  0.931614 0.406055  0.685617 0.331278  
1 1 1 61 34 3  o 0.880184 0.356409  0.964064     0.976995 0.252784     1.2893   1.9233       1.49726  0.796245 0.363066  1.07494  0.439085  
1 1 1 61 34 4  o 0.932339 0.360541  1.18223      0.957707 0.151065     1.2291   2.77583      1.52796  0.771094 0.352632  1.24169  0.461436  
1 1 1 61 34 5  o 0.740034 0.322046  0.38519      0.890672 1.88766      1.24026  -1.21481     1.27988  1.08568  0.412783  0.636504 0.310262  
1 1 1 61 34 6  o 1.00891  0.355711  1.45921      0.895665 1.74218      1.22635  1.13571      1.31123  1.04785  0.407413  0.925185 0.39642   
1 1 1 61 34 7  o 0.646165 0.299064  -0.1629      0.916099 -0.432563    1.25677  0.142826     1.33817  0.696788 0.331425  0.776929 0.360299  
1 1 1 61 34 8  o 2.16101  0.222351  5.43858      0.961007 4.14831      1.27354  7.14488      1.46453  1.6447   0.39214   2.31982  0.315656  
1 1 1 61 34 9  o 2.28405  0.219426  6.12861      1.00236  6.89273      1.37533  5.26291      1.46391  2.27992  0.301619  1.79259  0.415997  
1 1 1 61 34 10 o 0.628042 0.292885  -0.091495    0.90015  0.794829     1.21901  -1.1543      1.33487  0.8057   0.36207   0.621308 0.306032  
1 1 1 61 34 11 o 0.918137 0.358004  1.40769      0.948347 0.893021     1.33158  1.93745      1.35096  0.8128   0.370172  0.974906 0.409358  
1 1 1 61 34 12 o 0.665312 0.303046  0.197345     0.893141 0.3385       1.26686  0.0578551    1.25936  0.740138 0.346052  0.707775 0.334334  
1 1 1 61 34 13 o 0.700544 0.314128  0.424598     0.913114 -0.0233987   1.27836  0.891264     1.30472  0.694414 0.331557  0.803605 0.366101  
1 1 1 61 34 14 o 0.590433 0.284363  -0.330233    0.992908 0.0356957    1.29562  -0.850972    1.54558  0.671402 0.323721  0.637116 0.316385  
1 1 1 61 35 0  o 2.40606  0.303748  6.78001      1.40928  6.78001      1.40928  6.78001      1.40928  2.51031  0.201469  ?        ?         
1 1 1 61 35 1  o 0.809432 0.341878  0.691934     0.95146  1.32197      1.35867  0.0856265    1.33284  0.956541 0.406482  0.773995 0.359185  
1 1 1 61 35 2  o 0.773441 0.334707  0.519256     0.951992 0.0694324    1.32484  0.999485     1.36888  0.769777 0.357565  0.902851 0.396022  
1 1 1 61 35 3  o 1.15225  0.380253  2.03625      1.01733  1.13269      1.47876  2.84816      1.40177  0.922858 0.407747  1.26328  0.445043  
1 1 1 61 35 4  o 0.852554 0.359848  0.915345     1.05295  1.37673      1.59525  0.559154     1.40165  0.948272 0.420656  0.828921 0.378123  
1 1 1 61 35 5  o 0.533346 0.263127  -1.42131     1.01999  -1.54899     1.52491  -1.31794     1.37214  0.649199 0.320629  0.632896 0.311704  
1 1 1 61 35 6  o 0.617478 0.29548   -0.486274    1.02978  0.343618     1.41371  -1.42437     1.50305  0.779067 0.36467   0.644816 0.31843   
1 1 1 61 35 7  o 0.922973 0.373834  1.4062       1.07525  0.557121     1.50621  2.28862      1.53549  0.80337  0.376111  1.04017  0.436575  
1 1 1 61 35 8  o 0.848983 0.355208  1.08931      1.01125  1.17738      1.34302  0.974019     1.53673  0.864077 0.384371  0.841613 0.388688  
1 1 1 61 35 9  o 1.06715  0.373964  1.98177      0.988628 1.64249      1.28834  2.4677       1.54183  0.929222 0.395374  1.03497  0.436076  
1 1 1 61 35 10 f 0.860022 0.353121  1.17158      0.973407 2.09399      1.23464  -0.343606    1.58239  1.0295   0.406613  0.71378  0.347367  
1 1 1 61 35 11 o 0.63556  0.299586  -0.156974    1.00151  0.0570453    1.3027   -0.466283    1.56608  0.711002 0.337826  0.700337 0.341705  
1 1 1 61 35 12 o 1.04735  0.387603  2.13073      1.07588  1.23217      1.41419  3.36542      1.65771  0.829835 0.378977  1.10776  0.458564  
1 1 1 61 35 13 o 0.678194 0.317969  0.424658     1.09093  -0.809391    1.40718  2.28365      1.72712  0.6068   0.301406  0.862873 0.403676  
1 1 1 61 36 0  o 0.53779  0.377542  -0.385342    1.4573   -0.385342    1.4573   -0.385342    1.4573   0.462677 0.322699  ?        ?         
1 1 1 61 36 1  o 0.550561 0.270342  -1.13559     1.0192   -1.12342     1.46344  -1.14706     1.42026  0.655296 0.322469  0.645423 0.317631  
1 1 1 61 36 2  o 0.688066 0.316716  0.130849     1.00956  1.29877      1.5789   -0.676869    1.31304  0.895895 0.406694  0.659596 0.319557  
1 1 1 61 36 3  o 0.85015  0.355865  1.06019      1.01573  0.307194     1.59399  1.57498      1.31797  0.785883 0.373541  0.940155 0.399957  
1 1 1 61 36 4  o 0.968384 0.363615  1.54141      0.953671 2.80894      1.38557  0.400368     1.31461  1.17093  0.438558  0.763783 0.35532   
1 1 1 61 36 5  o 0.674477 0.311463  0.115217     0.986394 -0.647862    1.44415  0.78253      1.3505   0.677012 0.32993   0.809123 0.369862  
1 1 1 61 36 6  o 0.628679 0.299578  -0.283074    1.03101  -0.545489    1.51938  -0.0591179   1.40363  0.691037 0.33706   0.716122 0.343233  
1 1 1 61 36 7  o 0.774692 0.341617  0.758283     1.03116  1.91745      1.5289   -0.208991    1.39663  0.947013 0.416941  0.697104 0.33611   
1 1 1 61 36 8  o 1.37687  0.382739  3.13384      1.09138  4.03038      1.57575  2.30726      1.51303  1.34216  0.471954  1.01794  0.43059   
1 1 1 61 36 9  o 1.11132  0.386108  2.21709      1.05196  2.7559       1.53434  1.73916      1.44507  1.08467  0.444011  0.929539 0.407317  
1 1 1 61 36 10 o 0.581636 0.282039  -0.624115    1.02686  0.608514     1.48828  -1.74405     1.41862  0.768141 0.363133  0.583429 0.291558  
1 1 1 61 36 11 o 0.571883 0.279022  -0.56781     1.04392  -0.423805    1.50536  -0.701216    1.44891  0.650395 0.320581  0.625603 0.309833  
1 1 1 61 37 0  o 0.476068 0.343256  -1.04817     1.4472   -1.04817     1.4472   -1.04817     1.4472   0.393429 0.284334  ?        ?         
1 1 1 61 37 1  o 1.60317  0.339193  3.79243      1.05415  5.32006      1.59191  2.59945      1.40678  1.64196  0.464151  1.08905  0.432798  
1 1 1 61 37 2  o 1.49669  0.355827  3.45602      1.05094  3.66745      1.59803  3.29489      1.39507  1.2377   0.469146  1.24523  0.443441  
1 1 1 61 37 3  f 0.903365 0.363083  1.3834       1.00335  0.398227     1.41737  2.373        1.42055  0.758021 0.357044  1.03985  0.426708  
1 1 1 61 37 4  o 1.21911  0.395992  2.65379      1.10329  4.27904      1.62109  1.25139      1.50585  1.3691   0.478956  0.862254 0.392951  
1 1 1 61 37 5  o 1.91664  0.294837  4.93768      1.13019  4.64715      1.70269  5.16651      1.51109  1.41527  0.491266  1.67683  0.443638  
1 1 1 61 37 6  o 0.566135 0.276606  -0.914502    1.03774  0.876464     1.46523  -2.717       1.46994  0.817879 0.378417  0.554635 0.279807  
1 1 1 61 37 7  o 0.967289 0.371299  1.68152      1.01138  1.40948      1.45987  1.93259      1.40248  0.870545 0.393437  0.952875 0.40919   
1 1 1 61 37 8  o 0.825986 0.349967  1.14689      1.00216  2.09556      1.42244  0.211932     1.41214  0.947772 0.409628  0.715966 0.343427  
1 1 1 61 37 9  o 1.20817  0.383628  2.82198      1.03972  4.2797       1.44686  1.2655       1.49508  1.31247  0.453121  0.78564  0.369073  
1 1 1 61 38 0  o 0.589325 0.410436  0.04361      1.65475  0.04361      1.65475  0.04361      1.65475  0.529973 0.363422  ?        ?         
1 1 1 61 38 1  o 1.35114  0.372948  2.98614      1.04023  3.87575      1.44034  2.01624      1.50393  1.36395  0.452453  0.96159  0.418471  
1 1 1 61 38 2  o 1.7579   0.317389  4.38021      1.07504  1.54917      1.42732  8.09168      1.63426  0.895061 0.397369  2.30977  0.353773  
1 1 1 61 38 3  o 0.751466 0.338107  0.646783     1.06623  1.38638      1.4981   -0.112448    1.51785  0.86462  0.393468  0.713222 0.345164  
1 1 1 61 38 4  o 0.93717  0.374439  1.63144      1.05813  1.9594       1.49747  1.30439      1.49538  0.933714 0.411717  0.846533 0.387893  
1 1 1 61 38 5  o 1.25249  0.383243  2.8379       1.04954  3.35911      1.52058  2.36366      1.45045  1.13724  0.450588  0.977599 0.417842  
1 1 1 61 38 6  o 0.760138 0.33746   0.929345     1.02929  0.400878     1.51226  1.38546      1.40493  0.71393  0.345337  0.811246 0.373503  
1 1 1 61 38 7  o 0.984989 0.381726  2.12781      1.07477  2.7398       1.61671  1.64315      1.43871  0.933547 0.418311  0.822427 0.378363  
1 1 1 61 39 0  o 0.533257 0.379167  -0.150536    1.58887  -0.150536    1.58887  -0.150536    1.58887  0.47639  0.333591  ?        ?         
1 1 1 61 39 1  o 0.840996 0.357786  1.45271      1.05476  0.993886     1.50213  1.89896      1.4814   0.75131  0.358885  0.849597 0.387951  
1 1 1 61 39 2  o 0.732502 0.330786  0.832961     1.02992  1.26334      1.45725  0.403444     1.4558   0.77794  0.36523   0.697779 0.337751  
1 1 1 61 39 3  o 1.31512  0.38018   3.23843      1.05642  3.63252      1.48394  2.83348      1.50427  1.12618  0.445467  0.975397 0.421402  
1 1 1 62 0  0  o 2.56121  0.228221  6.75881      1.14769  6.75881      1.14769  6.75881      1.14769  2.58105  0.158584  ?        ?         
1 1 1 62 0  1  o 1.15823  0.368105  1.71012      0.748217 1.71012      0.748217 1.71012      0.748217 1.24089  0.239071  ?        ?         
1 1 1 62 0  2  o 4.09745  0.118316  16.8628      0.967757 16.8628      0.967757 16.8628      0.967757 4.10197  0.0834901 ?        ?         
1 1 1 62 0  3  o 3.51762  0.123725  12.4455      0.867993 12.4455      0.867993 12.4455      0.867993 3.52276  0.087235  ?        ?         
1 1 1 62 0  4  o 1.19025  0.355826  1.76713      0.736467 1.76713      0.736467 1.76713      0.736467 1.26943  0.226756  ?        ?         
1 1 1 62 0  5  o 4.65848  0.111821  21.7775      1.04047  21.7775      1.04047  21.7775      1.04047  4.66258  0.0789477 ?        ?         
1 1 1 62 0  6  o 2.56751  0.149472  6.68011      0.761587 6.68011      0.761587 6.68011      0.761587 2.57616  0.104916  ?        ?         
1 1 1 62 0  7  o 1.74845  0.218703  3.21869      0.73784  3.21869      0.73784  3.21869      0.73784  1.77252  0.149626  ?        ?         
1 1 1 62 0  8  o 4.82611  0.113296  23.3763      1.0922   23.3763      1.0922   23.3763      1.0922   4.8305   0.0799894 ?        ?         
1 1 1 62 0  9  o 2.69648  0.147176  7.36098      0.788311 7.36098      0.788311 7.36098      0.788311 2.70485  0.103384  ?        ?         
1 1 1 62 0  10 o 2.03964  0.198013  4.3035       0.790274 4.3035       0.790274 4.3035       0.790274 2.0576   0.137191  ?        ?         
1 1 1 62 0  11 o 0.479167 0.317462  -0.10418     0.764633 -0.10418     0.764633 -0.10418     0.764633 0.397247 0.264434  ?        ?         
1 1 1 62 0  12 o 1.74812  0.253833  3.27453      0.832428 3.27453      0.832428 3.27453      0.832428 1.78167  0.168659  ?        ?         
1 1 1 62 0  13 f 1.03209  0.41388   1.51041      0.826235 1.51041      0.826235 1.51041      0.826235 1.11796  0.302867  ?        ?         
1 1 1 62 0  14 o 4.40253  0.12251   19.4849      1.07682  19.4849      1.07682  19.4849      1.07682  4.40835  0.0864371 ?        ?         
1 1 1 62 0  15 o 1.49425  0.302168  2.52163      0.799573 2.52163      0.799573 2.52163      0.799573 1.54903  0.188837  ?        ?         
1 1 1 62 0  16 o 1.90356  0.2317    3.82725      0.852578 3.82725      0.852578 3.82725      0.852578 1.93131  0.158534  ?        ?         
1 1 1 62 0  17 o 2.27386  0.205087  5.34939      0.915229 5.34939      0.915229 5.34939      0.915229 2.29388  0.142319  ?        ?         
1 1 1 62 0  18 o 1.48325  0.372134  2.63945      0.953726 2.63945      0.953726 2.63945      0.953726 1.56634  0.229994  ?        ?         
1 1 1 62 0  19 o 0.473997 0.323549  -0.389392    0.904975 -0.389392    0.904975 -0.389392    0.904975 0.381282 0.263663  ?        ?         
1 1 1 62 0  20 o 5.62863  0.136131  31.9264      1.53044  31.9264      1.53044  31.9264      1.53044  5.63946  0.0960102 ?        ?         
1 1 1 62 0  21 o 0.525528 0.352057  -0.21        0.995227 -0.21        0.995227 -0.21        0.995227 0.434274 0.292478  ?        ?         
1 1 1 62 0  22 o 0.849149 0.449219  1.14525      1.01055  1.14525      1.01055  1.14525      1.01055  0.870906 0.388848  ?        ?         
1 1 1 62 0  23 o 1.87668  0.338103  3.98257      1.14575  3.98257      1.14575  3.98257      1.14575  1.94384  0.214339  ?        ?         
1 1 1 62 0  24 o 0.895217 0.472425  1.30699      1.11553  1.30699      1.11553  1.30699      1.11553  0.927046 0.408546  ?        ?         
1 1 1 62 0  25 o 3.12237  0.207233  10.1028      1.28103  10.1028      1.28103  10.1028      1.28103  3.15078  0.144438  ?        ?         
1 1 1 62 0  26 o 3.80179  0.168264  14.789       1.27371  14.789       1.27371  14.789       1.27371  3.82388  0.118021  ?        ?         
1 1 1 62 0  27 o 0.477844 0.332148  -0.610761    1.05898  -0.610761    1.05898  -0.610761    1.05898  0.383709 0.269735  ?        ?         
1 1 1 62 0  28 o 2.28818  0.280407  5.78557      1.23973  5.78557      1.23973  5.78557      1.23973  2.34915  0.189416  ?        ?         
1 1 1 62 0  29 o 1.08589  0.493057  2.02871      1.14928  2.02871      1.14928  2.02871      1.14928  1.2241   0.380019  ?        ?         
1 1 1 62 0  30 o 2.13107  0.292516  5.20491      1.19467  5.20491      1.19467  5.20491      1.19467  2.21055  0.194539  ?        ?         
1 1 1 62 0  31 o 0.85763  0.482104  1.52202      1.23692  1.52202      1.23692  1.52202      1.23692  0.928751 0.429664  ?        ?         
1 1 1 62 0  32 o 1.18286  0.537588  2.83312      1.36639  2.83312      1.36639  2.83312      1.36639  1.42463  0.392665  ?        ?         
1 1 1 62 0  33 o 0.690317 0.44535   1.03266      1.38104  1.03266      1.38104  1.03266      1.38104  0.695559 0.412614  ?        ?         
1 1 1 62 0  34 o 1.85855  0.54108   6.12725      1.744    6.12725      1.744    6.12725      1.744    2.21778  0.289009  ?        ?         
1 1 1 62 1  0  o 1.63469  0.255801  2.88332      0.775164 2.88332      0.775164 2.88332      0.775164 1.67004  0.168004  ?        ?         
1 1 1 62 1  1  f 4.77854  0.079221  22.875       0.757121 23.8676      1.09484  21.9651      1.04815  4.87684  0.112249  4.67847  0.112018  
1 1 1 62 1  2  o 3.76746  0.0861382 14.2237      0.649044 14.154       0.918916 14.2931      0.916861 3.75426  0.122383  3.77276  0.121511  
1 1 1 62 1  3  o 3.37354  0.0889091 11.4067      0.599878 11.1529      0.85216  11.656       0.8446   3.33183  0.127882  3.40661  0.123965  
1 1 1 62 1  4  o 3.63264  0.0820137 13.222       0.595853 11.9306      0.845353 14.4971      0.84     3.44656  0.122637  3.80078  0.110504  
1 1 1 62 1  5  o 1.56374  0.158869  2.46367      0.496859 2.57304      0.711033 2.35931      0.694586 1.59235  0.223266  1.52432  0.227835  
1 1 1 62 1  6  o 4.721    0.0754109 22.3266      0.71203  22.1372      1.01593  22.5094      0.998233 4.69662  0.108155  4.73638  0.105379  
1 1 1 62 1  7  o 8.51215  0.0834229 72.6153      1.42022  73.8419      1.9781   71.3103      2.04033  8.57506  0.11534   8.42497  0.121088  
1 1 1 62 1  8  o 2.74331  0.102232  7.55145      0.560909 8.31655      0.819339 6.87661      0.769496 2.87419  0.142534  2.61296  0.147246  
1 1 1 62 1  9  o 1.24107  0.227955  1.61533      0.544669 1.42797      0.795171 1.78094      0.747587 1.15727  0.328334  1.29047  0.295824  
1 1 1 62 1  10 o 3.16776  0.0966797 10.0686      0.612516 9.01007      0.834364 11.3057      0.902045 2.99114  0.139473  3.3514   0.134577  
1 1 1 62 1  11 o 2.98641  0.101553  8.95157      0.606559 8.81612      0.842614 9.09724      0.873846 2.95837  0.142412  3.0047   0.145413  
1 1 1 62 1  12 o 4.38752  0.0881293 19.3058      0.773338 19.0112      1.09028  19.6041      1.09708  4.34744  0.125394  4.41495  0.124246  
1 1 1 62 1  13 o 2.95384  0.10545   8.76354      0.622962 8.68362      0.868348 8.84829      0.894224 2.93411  0.147975  2.96128  0.150986  
1 1 1 62 1  14 o 2.81275  0.108757  7.94928      0.611813 7.25437      0.868069 8.63519      0.862426 2.67911  0.162007  2.92565  0.14739   
1 1 1 62 1  15 o 3.77027  0.09278   14.2724      0.699612 13.6188      1.00423  14.8888      0.97521  3.67432  0.136655  3.84414  0.126844  
1 1 1 62 1  16 o 1.643    0.1827    2.74497      0.600353 2.28317      0.848168 3.20865      0.849889 1.45343  0.301849  1.76566  0.240672  
1 1 1 62 1  17 o 3.43252  0.11228   11.8635      0.770807 11.5246      1.04665  12.2651      1.13943  3.37256  0.155171  3.47661  0.16387   
1 1 1 62 1  18 o 0.774064 0.296759  0.456518     0.645409 0.0735147    0.910173 0.843884     0.915341 0.774204 0.330955  0.967017 0.357588  
1 1 1 62 1  19 o 1.97521  0.171722  3.97275      0.678374 3.96081      0.958201 3.98476      0.960534 1.95373  0.245224  1.95967  0.245076  
1 1 1 62 1  20 o 1.52825  0.233945  2.42223      0.715051 2.83289      1.01077  2.01081      1.0117   1.60155  0.326872  1.335    0.367493  
1 1 1 62 1  21 o 1.36516  0.27185   2.02543      0.71591  2.27026      0.996661 1.76445      1.02901  1.41587  0.352827  1.24914  0.378932  
1 1 1 62 1  22 f 0.687782 0.29453   0.0527863    0.723086 1.54351      1.0417   -1.33338     1.00451  1.17908  0.384781  0.596076 0.286821  
1 1 1 62 1  23 o 2.27122  0.180713  5.306        0.820878 4.19348      1.15355  6.44733      1.16839  1.97554  0.291957  2.47973  0.235587  
1 1 1 62 1  24 o 1.36458  0.294141  2.08517      0.779847 1.92229      1.15211  2.2229       1.05945  1.27493  0.40373   1.3739   0.375126  
1 1 1 62 1  25 o 0.634687 0.287781  -0.286066    0.787383 -0.285391    1.09931  -0.286777    1.12831  0.752078 0.340573  0.761426 0.34491   
1 1 1 62 1  26 o 2.27107  0.176838  5.36267      0.803221 5.72866      1.125    4.9821       1.14718  2.30766  0.243754  2.13604  0.268529  
1 1 1 62 1  27 o 0.989904 0.329408  1.1399       0.763457 2.16209      1.0617   0.0453527    1.09863  1.30971  0.381943  0.789616 0.349833  
1 1 1 62 1  28 o 1.95486  0.209747  4.12115      0.820052 4.69386      1.11645  3.45016      1.20846  2.03383  0.27447   1.6398   0.376257  
1 1 1 62 1  29 o 0.85543  0.334651  0.763787     0.830062 1.2712       1.20829  0.310317     1.14226  1.0178   0.402168  0.820307 0.360775  
1 1 1 62 1  30 o 0.908645 0.346521  1.037        0.876212 1.50154      1.25186  0.590871     1.22682  1.026    0.408107  0.851853 0.374273  
1 1 1 62 1  31 o 1.03506  0.36828   1.56106      0.962048 1.56224      1.37525  1.55994      1.34629  1.0084   0.417569  1.00869  0.414912  
1 1 1 62 1  32 o 0.81333  0.34364   0.885003     0.961823 1.42672      1.3635   0.348468     1.35697  0.915232 0.398378  0.767523 0.35858   
1 1 1 62 1  33 o 0.984708 0.371314  1.67136      0.996718 2.03164      1.38464  1.28391      1.4359   0.994705 0.415876  0.872305 0.392428  
1 1 1 62 1  34 f 0.591528 0.289555  -0.519162    1.15129  -0.839764    1.63147  -0.201136    1.6249   0.63186  0.31532   0.667473 0.329972  
1 1 1 62 2  0  o 3.25281  0.126841  10.6539      0.82233  10.6539      0.82233  10.6539      0.82233  3.25846  0.0893775 ?        ?         
1 1 1 62 2  1  o 3.67479  0.0831192 13.5317      0.610892 12.4558      0.836276 14.7626      0.894525 3.522    0.118722  3.83456  0.11664   
1 1 1 62 2  2  o 4.84712  0.0739939 23.5328      0.717314 22.9586      0.996373 24.1506      1.03352  4.78385  0.104139  4.90629  0.105326  
1 1 1 62 2  3  o 0.484746 0.222146  -0.348115    0.490642 -0.0567146   0.695039 -0.637566    0.692711 0.663282 0.2865    0.54921  0.256436  
1 1 1 62 2  4  o 4.67109  0.07497   21.8566      0.700383 23.147       1.06375  20.8691      0.930543 4.80213  0.110758  4.56102  0.10201   
1 1 1 62 2  5  o 2.26725  0.115339  5.16173      0.523003 4.62229      0.725676 5.74479      0.754439 2.14033  0.169525  2.3875   0.157998  
1 1 1 62 2  6  o 4.94617  0.0754581 24.5092      0.746458 25.4851      1.04814  23.5048      1.06332  5.03946  0.103994  4.83873  0.109876  
1 1 1 62 2  7  o 3.84714  0.0834907 14.8347      0.6424   15.2219      0.901295 14.4349      0.915863 3.89277  0.115765  3.79004  0.120825  
1 1 1 62 2  8  o 3.09063  0.0987349 9.58442      0.610306 8.80903      0.883782 10.2913      0.84381  2.95643  0.149468  3.19824  0.131918  
1 1 1 62 2  9  o 5.00506  0.0785348 25.1064      0.786143 25.3021      1.16573  24.9432      1.06468  5.01785  0.116159  4.98401  0.106809  
1 1 1 62 2  10 o 1.79119  0.151372  3.23471      0.542273 2.68867      0.781584 3.74152      0.752994 1.62279  0.240815  1.921    0.19599   
1 1 1 62 2  11 o 3.46446  0.0947909 12.0421      0.656799 13.2788      0.920073 10.7571      0.937891 3.63324  0.126619  3.26736  0.143525  
1 1 1 62 2  12 o 2.35421  0.123449  5.57548      0.581248 6.26179      0.846491 4.96321      0.799536 2.48825  0.170098  2.21368  0.180589  
1 1 1 62 2  13 o 1.78875  0.161001  3.23287      0.57598  2.93997      0.78909  3.56689      0.842664 1.69618  0.232608  1.86952  0.225369  
1 1 1 62 2  14 o 1.15576  0.247932  1.42272      0.556564 0.829244     0.785241 2.02184      0.788972 0.940356 0.332909  1.37047  0.296245  
1 1 1 62 2  15 o 3.33481  0.0999449 11.1766      0.666595 12.0521      0.957761 10.3541      0.928343 3.45512  0.1386    3.20105  0.145006  
1 1 1 62 2  16 o 1.02216  0.282945  1.12298      0.597699 2.2304       0.859162 0.0843884    0.832038 1.43259  0.308681  0.748329 0.318051  
1 1 1 62 2  17 o 3.15289  0.117181  10.019       0.738915 10.3406      1.06173  9.71694      1.02901  3.19035  0.166396  3.09266  0.166363  
1 1 1 62 2  18 f 0.475963 0.229049  -0.91429     0.641006 -0.282085    0.902327 -1.55838     0.910772 0.701656 0.313505  0.536456 0.261536  
1 1 1 62 2  19 o 1.76191  0.192646  3.17889      0.678847 2.94457      0.960994 3.41227      0.959079 1.64522  0.303448  1.80623  0.265492  
1 1 1 62 2  20 o 0.736671 0.299463  0.28806      0.693076 0.918598     0.979727 -0.343588    0.980589 0.993249 0.369418  0.71858  0.323726  
1 1 1 62 2  21 o 0.907875 0.318099  0.820456     0.715292 0.460952     0.994238 1.20618      1.02985  0.878965 0.358215  1.079    0.381326  
1 1 1 62 2  22 o 0.811527 0.321938  0.464405     0.777128 1.04626      1.14111  -0.0388843   1.06128  1.05015  0.396915  0.797019 0.349156  
1 1 1 62 2  23 o 4.08797  0.1165    16.9119      0.952497 15.7263      1.35924  18.056       1.33515  3.91368  0.173652  4.2025   0.158852  
1 1 1 62 2  24 o 3.07933  0.135805  9.66808      0.836379 9.88166      1.19841  9.46526      1.16782  3.08236  0.194398  3.01724  0.193525  
1 1 1 62 2  25 o 3.02     0.144769  9.35345      0.874405 8.45064      1.22493  10.2915      1.2486   2.82762  0.2166    3.13345  0.199238  
1 1 1 62 2  26 f 2.16101  0.18143   4.87474      0.784144 5.44362      1.10061  4.28829      1.11748  2.24464  0.245164  1.96737  0.284004  
1 1 1 62 2  27 o 2.31318  0.184189  5.63638      0.852122 5.09197      1.17391  6.24272      1.23888  2.13254  0.275237  2.37415  0.26091   
1 1 1 62 2  28 o 1.99053  0.201068  4.25898      0.800466 4.45228      1.11911  4.05649      1.1454   1.96828  0.284288  1.85765  0.308294  
1 1 1 62 2  29 o 1.7284   0.246121  3.37061      0.85079  2.98894      1.21831  3.7339       1.18863  1.46188  0.403654  1.69485  0.361354  
1 1 1 62 2  30 o 1.94264  0.236309  4.3296       0.918129 3.8699       1.26928  4.83409      1.32969  1.64451  0.391095  1.88525  0.365708  
1 1 1 62 2  31 o 0.481363 0.238945  -1.5696      0.877152 -0.728179    1.18836  -2.57672     1.30012  0.653843 0.313971  0.547607 0.274229  
1 1 1 62 2  32 o 0.556224 0.270313  -0.805122    0.952415 -0.24115     1.33799  -1.3844      1.35603  0.694347 0.333355  0.607553 0.300613  
1 1 1 62 2  33 o 1.2951   0.376698  2.82828      1.03405  1.65481      1.4402   4.0769       1.4856   0.904912 0.400775  1.37247  0.459507  
1 1 1 62 3  0  f 5.02742  0.106543  25.3532      1.07019  25.3532      1.07019  25.3532      1.07019  5.03131  0.0752406 ?        ?         
1 1 1 62 3  1  o 5.70974  0.0727057 32.6545      0.830261 32.5041      1.18793  32.798       1.16087  5.69162  0.104358  5.71781  0.101513  
1 1 1 62 3  2  o 2.62353  0.104477  6.90632      0.548196 6.84801      0.79149  6.96009      0.76     2.60748  0.151773  2.62961  0.144508  
1 1 1 62 3  3  o 6.16265  0.0706728 38.0381      0.871064 37.7833      1.23173  38.293       1.23201  6.137    0.100353  6.17838  0.0997034 
1 1 1 62 3  4  o 1.97667  0.12916   3.92808      0.510611 4.71996      0.731821 3.17687      0.712781 2.16253  0.169205  1.77078  0.201261  
1 1 1 62 3  5  o 5.83595  0.0756427 34.1224      0.882894 34.4682      1.23058  33.7555      1.26743  5.86022  0.104995  5.79843  0.109291  
1 1 1 62 3  6  f 2.01698  0.132263  4.09241      0.533546 4.09215      0.760141 4.09267      0.749076 2.0106   0.189033  2.01109  0.186237  
1 1 1 62 3  7  o 2.29873  0.11536   5.30908      0.53036  5.19122      0.776233 5.41228      0.726336 2.2666   0.171233  2.31629  0.156789  
1 1 1 62 3  8  o 1.47405  0.187222  2.20026      0.551948 2.62878      0.80996  1.82875      0.754167 1.6029   0.252654  1.30705  0.295418  
1 1 1 62 3  9  o 5.68871  0.0809713 32.4375      0.921245 31.5328      1.29358  33.3685      1.31229  5.60192  0.115459  5.76306  0.113854  
1 1 1 62 3  10 o 4.30242  0.0853009 18.5603      0.734001 18.0171      1.0246   19.133       1.05201  4.2332   0.121019  4.36241  0.120577  
1 1 1 62 3  11 o 5.80019  0.0824612 33.7314      0.956581 35.0603      1.34756  32.3817      1.35812  5.90618  0.114081  5.67464  0.119665  
1 1 1 62 3  12 o 2.0703   0.139404  4.31945      0.577216 4.63121      0.829894 4.02731      0.803365 2.13586  0.194276  1.99057  0.201793  
1 1 1 62 3  13 o 4.18195  0.0854102 17.5433      0.714362 17.7312      0.991663 17.3405      1.02995  4.19825  0.118104  4.15045  0.124076  
1 1 1 62 3  14 o 1.3803   0.199408  1.94291      0.550487 2.07579      0.785612 1.81472      0.771588 1.38758  0.292259  1.29364  0.303192  
1 1 1 62 3  15 o 0.885493 0.285759  0.802048     0.575183 1.46017      0.813625 0.144555     0.813239 1.16007  0.333089  0.755302 0.317399  
1 1 1 62 3  16 o 2.07274  0.155489  4.35454      0.644578 4.50912      0.898496 4.19062      0.925233 2.0965   0.214285  2.01741  0.229312  
1 1 1 62 3  17 o 4.01123  0.105921  16.1962      0.849744 16.7578      1.14998  15.5207      1.26114  4.06977  0.141283  3.90979  0.16128   
1 1 1 62 3  18 o 3.18625  0.115748  10.237       0.737605 10.5038      1.03717  9.96402      1.04919  3.21467  0.161319  3.12896  0.167659  
1 1 1 62 3  19 o 2.83482  0.131152  8.13042      0.743582 8.7841       1.09446  7.57         1.01339  2.92915  0.186822  2.71936  0.186328  
1 1 1 62 3  20 o 2.14546  0.170095  4.70273      0.729864 5.34569      1.02479  4.04088      1.03974  2.26926  0.225799  1.95933  0.26533   
1 1 1 62 3  21 o 1.79319  0.209562  3.32384      0.751568 4.26699      1.10701  2.51741      1.02364  2.0079   0.275664  1.49202  0.348916  
1 1 1 62 3  22 o 2.36559  0.167963  5.73401      0.794662 5.02234      1.11859  6.45915      1.12913  2.17941  0.256626  2.48626  0.227075  
1 1 1 62 3  23 o 0.70923  0.304617  0.0757881    0.77748  -0.673171    1.08946  0.853057     1.10986  0.702607 0.325551  0.986098 0.386721  
1 1 1 62 3  24 o 0.823788 0.320744  0.573966     0.760638 -0.395483    1.06709  1.57537      1.08453  0.725878 0.330797  1.15893  0.392611  
1 1 1 62 3  25 f 2.84791  0.148607  8.33434      0.846442 8.0237       1.20599  8.63593      1.18831  2.75116  0.219178  2.86258  0.207559  
1 1 1 62 3  26 o 1.92932  0.201048  3.93626      0.77577  3.14221      1.06074  4.84938      1.13749  1.62553  0.337539  2.09513  0.27146   
1 1 1 62 3  27 o 0.609869 0.281076  -0.377978    0.798203 0.716286     1.11244  -1.53918     1.14596  0.9058   0.375348  0.603823 0.294198  
1 1 1 62 3  28 f 0.621698 0.282125  -0.18125     0.758356 -0.584938    1.06119  0.240089     1.08414  0.668411 0.313422  0.79781  0.351175  
1 1 1 62 3  29 o 1.62816  0.261887  3.07223      0.852789 2.43727      1.20834  3.70236      1.20373  1.28227  0.414219  1.65923  0.371981  
1 1 1 62 3  30 o 0.601842 0.284717  -0.542511    0.916352 -0.323436    1.28595  -0.768514    1.30612  0.725709 0.341317  0.68531  0.3291    
1 1 1 62 3  31 o 0.694765 0.311175  0.246224     0.893737 1.13707      1.21431  -0.806727    1.32018  0.891379 0.381698  0.66179  0.320559  
1 1 1 62 3  32 o 1.29399  0.374639  2.77809      1.02509  3.25261      1.4168   2.25679      1.485    1.2254   0.445828  1.00425  0.425779  
1 1 1 62 3  33 o 1.35474  0.381745  3.2615       1.0785   3.13819      1.61849  3.35999      1.44642  1.0474   0.444312  1.15327  0.443682  
1 1 1 62 4  0  o 6.48574  0.105329  42.1738      1.36546  42.1738      1.36546  42.1738      1.36546  6.4899   0.0744091 ?        ?         
1 1 1 62 4  1  o 4.54821  0.0764674 20.7256      0.69558  21.0372      1.00403  20.438       0.964558 4.57756  0.109668  4.51234  0.10688   
1 1 1 62 4  2  o 3.82218  0.081221  14.6407      0.620882 14.1493      0.883307 15.1206      0.872905 3.75291  0.117683  3.88035  0.112477  
1 1 1 62 4  3  o 0.905804 0.259561  0.859665     0.494553 0.078879     0.702666 1.62612      0.696186 0.698356 0.294324  1.23437  0.287153  
1 1 1 62 4  4  o 1.66522  0.15799   2.79658      0.526174 4.03274      0.740527 1.53611      0.747772 1.99636  0.185469  1.19734  0.309929  
1 1 1 62 4  5  o 2.17147  0.12324   4.74047      0.535223 5.16076      0.749462 4.30302      0.764604 2.26076  0.165754  2.06186  0.185416  
1 1 1 62 4  6  o 2.38651  0.114667  5.72248      0.547308 5.3224       0.760612 6.15204      0.788143 2.29562  0.165666  2.46894  0.159612  
1 1 1 62 4  7  o 2.65078  0.108592  7.05641      0.575707 8.69021      0.832135 5.55645      0.797325 2.93726  0.141652  2.34497  0.170008  
1 1 1 62 4  8  o 4.56238  0.0861882 20.8706      0.786447 22.537       1.14872  19.4004      1.07896  4.73475  0.121307  4.39264  0.122815  
1 1 1 62 4  9  o 1.67805  0.175355  2.84784      0.588507 2.5679       0.897372 3.05911      0.779558 1.55281  0.299645  1.73279  0.224943  
1 1 1 62 4  10 o 5.11136  0.0847314 26.1992      0.866185 26.5577      1.21336  25.8267      1.23692  5.13944  0.118044  5.06727  0.12205   
1 1 1 62 4  11 o 5.4332   0.0817939 29.5985      0.888806 29.8166      1.30893  29.4119      1.21073  5.44468  0.120202  5.40968  0.111904  
1 1 1 62 4  12 o 2.01729  0.147694  4.10661      0.595881 5.02945      0.91262  3.4208       0.78673  2.22295  0.205273  1.83178  0.214744  
1 1 1 62 4  13 o 5.88186  0.0849269 34.718       0.999056 37.4636      1.38742  31.7612      1.43979  6.10167  0.113692  5.61338  0.128246  
1 1 1 62 4  14 o 2.78802  0.112312  7.82267      0.626257 7.88583      0.868992 7.75443      0.903328 2.79113  0.15567   2.7661   0.163286  
1 1 1 62 4  15 o 1.47001  0.205086  2.21033      0.602958 1.38187      0.830785 3.13241      0.87647  1.13069  0.339979  1.74001  0.251857  
1 1 1 62 4  16 o 1.54722  0.206951  2.45337      0.640398 2.50873      0.88666  2.39299      0.925935 1.52088  0.302233  1.477    0.322367  
1 1 1 62 4  17 o 3.77674  0.103746  14.3573      0.783647 14.4294      1.06462  14.2722      1.15771  3.77565  0.140985  3.75055  0.154339  
1 1 1 62 4  18 o 0.654651 0.277138  0.0775036    0.627586 0.511051     0.901162 -0.330788    0.87452  0.869119 0.346082  0.679365 0.305907  
1 1 1 62 4  19 o 0.681272 0.286005  0.132905     0.659232 -0.0901847   0.931733 0.356533     0.932857 0.744292 0.326597  0.838121 0.34517   
1 1 1 62 4  20 o 4.05197  0.109059  16.5665      0.883808 16.1309      1.25864  16.9902      1.24133  3.97873  0.158171  4.08629  0.151889  
1 1 1 62 4  21 o 0.958117 0.329542  0.948249     0.764663 0.130354     1.11931  1.664        1.04709  0.846578 0.364598  1.21268  0.384979  
1 1 1 62 4  22 o 1.41837  0.270248  2.1994       0.739062 1.21959      1.03807  3.20656      1.05246  1.07459  0.382534  1.69295  0.322436  
1 1 1 62 4  23 o 3.76265  0.123117  14.3815      0.926492 13.5914      1.26697  15.2896      1.35831  3.62963  0.174532  3.84839  0.176477  
1 1 1 62 4  24 f 1.86399  0.215541  3.66841      0.803532 3.73109      1.18904  3.61572      1.09013  1.7888   0.344656  1.77827  0.317994  
1 1 1 62 4  25 o 0.903321 0.325929  0.858393     0.755839 0.714233     1.06257  1.00605      1.07538  0.920403 0.372105  0.991301 0.382317  
1 1 1 62 4  26 o 1.65055  0.242359  2.96826      0.80005  2.91646      1.06164  3.03636      1.21711  1.54638  0.351189  1.5428   0.39321   
1 1 1 62 4  27 o 0.647727 0.290743  -0.105677    0.784001 -0.834226    1.09423  0.662861     1.12386  0.652502 0.309834  0.888897 0.373311  
1 1 1 62 4  28 o 0.697541 0.299994  0.207347     0.755808 -0.317907    1.06924  0.731877     1.06851  0.703521 0.324648  0.884277 0.367233  
1 1 1 62 4  29 o 0.965551 0.346497  1.23376      0.853225 1.33867      1.15955  1.10988      1.25998  0.989045 0.392971  0.945066 0.396012  
1 1 1 62 4  30 o 1.86382  0.263616  4.15271      0.982666 4.50898      1.33888  3.7367       1.44679  1.7696   0.388855  1.50082  0.448125  
1 1 1 62 4  31 o 1.11313  0.361415  1.97047      0.919048 2.70016      1.26171  1.14568      1.34141  1.2001   0.422282  0.872664 0.386601  
1 1 1 62 4  32 o 0.772376 0.336037  0.741222     0.96928  0.451272     1.34548  1.05404      1.39754  0.762709 0.356614  0.840269 0.381757  
1 1 1 62 4  33 o 0.519353 0.258045  -1.15133     1.03518  -2.06918     1.51947  -0.356324    1.41414  0.558311 0.282237  0.637398 0.313942  
1 1 1 62 5  0  o 2.17633  0.184808  4.86532      0.79106  4.86532      0.79106  4.86532      0.79106  2.19138  0.128643  ?        ?         
1 1 1 62 5  1  o 3.37342  0.0909603 11.4128      0.613695 11.0748      0.857349 11.7681      0.878842 3.31815  0.129191  3.42055  0.128465  
1 1 1 62 5  2  o 2.50558  0.115163  6.30727      0.577101 6.98312      0.826723 5.66494      0.80596  2.63106  0.157108  2.36797  0.170179  
1 1 1 62 5  3  o 3.27094  0.0962805 10.7346      0.629856 10.9503      0.868627 10.4955      0.914656 3.29884  0.131657  3.22802  0.141674  
1 1 1 62 5  4  o 3.60559  0.0865447 13.0355      0.62409  13.7436      0.883354 12.3297      0.881841 3.69768  0.119447  3.5013   0.12593   
1 1 1 62 5  5  o 4.93601  0.077199  24.4164      0.76211  24.8172      1.09052  24.0339      1.06549  4.97086  0.109691  4.89193  0.108903  
1 1 1 62 5  6  o 0.984798 0.257798  1.02928      0.513686 1.55886      0.71906  0.477315     0.734098 1.20578  0.299212  0.81906  0.31588   
1 1 1 62 5  7  o 2.78837  0.110972  7.80937      0.618862 6.55386      0.933911 8.7923       0.826334 2.54455  0.183512  2.95472  0.139833  
1 1 1 62 5  8  o 4.41051  0.0853442 19.5057      0.752823 19.2539      1.12436  19.7103      1.01355  4.37433  0.128517  4.42872  0.114429  
1 1 1 62 5  9  o 7.60115  0.0862922 57.947       1.31184  56.684       1.9939   58.911       1.74196  7.50284  0.132876  7.65587  0.113767  
1 1 1 62 5  10 o 1.7794   0.163355  3.20001      0.581347 2.9287       0.908008 3.38848      0.756794 1.68695  0.269127  1.82508  0.207332  
1 1 1 62 5  11 o 3.53295  0.0945466 12.5281      0.668057 12.6249      1.04589  12.4614      0.868265 3.53696  0.147851  3.51885  0.123373  
1 1 1 62 5  12 o 4.64295  0.0862368 21.6336      0.800786 21.6605      1.21463  21.613       1.06503  4.63518  0.131023  4.63444  0.114904  
1 1 1 62 5  13 o 1.8581   0.16357   3.49908      0.607859 3.78191      0.906692 3.26818      0.819231 1.91797  0.236368  1.78433  0.229562  
1 1 1 62 5  14 o 4.90516  0.0937988 24.173       0.920197 24.9058      1.27512  23.3767      1.32928  4.96883  0.128312  4.81055  0.138163  
1 1 1 62 5  15 o 4.19673  0.100203  17.714       0.841051 19.4438      1.13366  15.5963      1.25433  4.3885   0.129162  3.92044  0.159973  
1 1 1 62 5  16 o 0.732491 0.286407  0.37017      0.607822 0.563392     0.844787 0.162784     0.875201 0.868627 0.338058  0.779759 0.328547  
1 1 1 62 5  17 o 1.72024  0.189501  3.02674      0.651976 3.70854      0.908137 2.30156      0.936587 1.89113  0.240104  1.44134  0.331593  
1 1 1 62 5  18 o 0.541194 0.250545  -0.485837    0.6435   -0.228327    0.904435 -0.749838    0.915765 0.708878 0.315377  0.630737 0.294635  
1 1 1 62 5  19 o 1.1425   0.297413  1.44248      0.686117 0.51771      1.0001   2.26473      0.943041 0.89431  0.361229  1.41994  0.336739  
1 1 1 62 5  20 o 1.5366   0.236231  2.46235      0.725986 1.30288      1.06864  3.45612      0.989337 1.11037  0.388833  1.80774  0.273639  
1 1 1 62 5  21 o 2.33597  0.166555  5.58906      0.778133 6.12269      1.10441  5.06302      1.09652  2.42013  0.228172  2.19115  0.250217  
1 1 1 62 5  22 o 0.93798  0.325215  0.917576     0.745995 0.112441     1.06305  1.69876      1.04712  0.817962 0.353829  1.21174  0.385016  
1 1 1 62 5  23 o 0.995227 0.328714  1.10311      0.760245 0.541336     1.05621  1.70706      1.09514  0.892003 0.367309  1.19829  0.394527  
1 1 1 62 5  24 o 1.4642   0.277483  2.40529      0.783093 1.69832      1.12912  3.06049      1.087    1.1861   0.4006    1.60991  0.347482  
1 1 1 62 5  25 o 1.42432  0.276469  2.29759      0.759451 2.73333      1.06153  1.84072      1.08697  1.50038  0.358196  1.21578  0.39288   
1 1 1 62 5  26 o 1.04673  0.337562  1.32401      0.802726 0.415524     1.11713  2.29384      1.15423  0.850665 0.365245  1.32009  0.401499  
1 1 1 62 5  27 o 1.68345  0.241675  3.14463      0.813696 3.8272       1.11119  2.35542      1.19484  1.77503  0.32512   1.30799  0.410686  
1 1 1 62 5  28 f 0.668194 0.297765  0.0147556    0.809205 0.769138     1.16541  -0.687555    1.12447  0.892306 0.377697  0.665646 0.315134  
1 1 1 62 5  29 o 0.718856 0.316634  0.257236     0.882568 0.435662     1.17142  0.0229836    1.34222  0.807313 0.359053  0.78033  0.36148   
1 1 1 62 5  30 o 1.3088   0.354985  2.4379       0.952631 2.88385      1.32935  1.96713      1.36584  1.30137  0.434671  1.07585  0.4268    
1 1 1 62 5  31 o 1.10974  0.377973  2.10859      1.00517  2.17885      1.35607  2.0229       1.49746  1.03207  0.419107  0.982461 0.422389  
1 1 1 62 5  32 o 0.680399 0.311528  0.257195     0.962474 0.219242     1.32892  0.299066     1.39584  0.724438 0.342788  0.739542 0.350584  
1 1 1 62 6  0  o 5.83298  0.112601  34.1393      1.3125   34.1393      1.3125   34.1393      1.3125   5.83792  0.0795203 ?        ?         
1 1 1 62 6  1  o 0.546457 0.243931  -0.213352    0.545133 -0.20598     0.769086 -0.220796    0.772796 0.664963 0.293896  0.663682 0.293803  
1 1 1 62 6  2  o 5.21816  0.0841218 27.2985      0.877922 26.6475      1.17907  28.1085      1.31518  5.14991  0.114475  5.28695  0.12438   
1 1 1 62 6  3  o 7.32341  0.0815955 53.7605      1.19511  54.3648      1.62497  53.0485      1.76385  7.35703  0.110436  7.26409  0.121409  
1 1 1 62 6  4  o 5.40716  0.0776283 29.3004      0.839497 29.1786      1.17939  29.4256      1.19523  5.39007  0.109404  5.41262  0.110411  
1 1 1 62 6  5  o 4.37262  0.0801066 19.1636      0.700551 19.2575      0.98957  19.0693      0.991892 4.37824  0.11301   4.35665  0.113837  
1 1 1 62 6  6  o 1.06837  0.262053  1.216        0.556444 3.10731      0.852052 -0.190481    0.73477  1.74352  0.244348  0.651505 0.287693  
1 1 1 62 6  7  o 1.1876   0.236106  1.48805      0.540882 1.51145      0.862782 1.4729       0.694244 1.18808  0.343614  1.1716   0.296003  
1 1 1 62 6  8  o 2.26138  0.128256  5.14716      0.58007  4.64312      0.900372 5.50483      0.758451 2.13607  0.210755  2.33406  0.162475  
1 1 1 62 6  9  o 6.18859  0.0825615 38.4032      1.02188  38.296       1.56218  38.4834      1.35102  6.16845  0.126626  6.18863  0.109153  
1 1 1 62 6  10 o 1.57396  0.167902  2.50665      0.528544 2.97895      0.769073 2.08392      0.727599 1.70774  0.225173  1.40063  0.269352  
1 1 1 62 6  11 o 3.00597  0.103305  9.08178      0.621063 9.16287      0.881493 9.00184      0.875172 3.01176  0.146342  2.98513  0.146589  
1 1 1 62 6  12 o 3.92468  0.0887514 15.4641      0.696642 15.8002      0.987709 15.1315      0.98271  3.95954  0.124725  3.87433  0.126823  
1 1 1 62 6  13 o 4.10168  0.0949503 16.9032      0.778911 17.9112      1.15476  16.0617      1.05507  4.21144  0.137098  3.98944  0.132233  
1 1 1 62 6  14 o 3.28785  0.104756  10.8774      0.688842 10.917       1.0239   10.8447      0.93105  3.28134  0.156018  3.27427  0.142177  
1 1 1 62 6  15 o 0.875983 0.294557  0.769507     0.610458 1.06305      0.926953 0.544694     0.811214 1.03308  0.362103  0.853785 0.33148   
1 1 1 62 6  16 o 4.24256  0.0994787 18.1099      0.844088 19.0474      1.15158  17.0214      1.24086  4.34042  0.132657  4.09631  0.151461  
1 1 1 62 6  17 o 1.88435  0.174514  3.62309      0.657689 3.37966      0.890227 3.91563      0.975889 1.80192  0.247022  1.93807  0.251769  
1 1 1 62 6  18 o 0.80684  0.306114  0.539682     0.680876 -0.092577    0.965627 1.16486      0.960204 0.756194 0.332148  1.05884  0.368787  
1 1 1 62 6  19 o 2.35054  0.160881  5.63378      0.756311 5.12921      1.07274  6.13245      1.06646  2.21588  0.242057  2.43227  0.219232  
1 1 1 62 6  20 o 0.48775  0.236188  -1.10388     0.714756 -1.56268     1.00686  -0.637801    1.01483  0.57274  0.278211  0.683973 0.315875  
1 1 1 62 6  21 o 0.56145  0.261309  -0.552351    0.711994 -0.294905    1.00339  -0.813448    1.01048  0.72868  0.327916  0.655688 0.307166  
1 1 1 62 6  22 o 2.77175  0.143539  7.84745      0.795707 7.15881      1.10654  8.58488      1.14505  2.6156   0.211526  2.8714   0.199389  
1 1 1 62 6  23 o 0.918551 0.330247  0.880364     0.775393 0.691254     1.08546  1.07742      1.10803  0.927611 0.375649  1.02268  0.389771  
1 1 1 62 6  24 o 0.77527  0.314396  0.419498     0.761821 0.783957     1.10631  0.0908221    1.0506   0.945767 0.380788  0.792711 0.347331  
1 1 1 62 6  25 o 0.982717 0.334842  1.11752      0.788856 1.43923      1.0765   0.744403     1.15932  1.09164  0.389454  0.933854 0.384729  
1 1 1 62 6  26 o 0.693017 0.303962  0.0761055    0.806325 0.0720602    1.14624  0.0800682    1.13448  0.791331 0.353465  0.789601 0.352198  
1 1 1 62 6  27 o 0.695921 0.304858  0.112953     0.809015 0.460332     1.0873   -0.31789     1.2109   0.835845 0.359654  0.745314 0.344524  
1 1 1 62 6  28 o 1.3174   0.326938  2.2457       0.85844  1.77038      1.17874  2.78251      1.25266  1.10046  0.406019  1.36052  0.419178  
1 1 1 62 6  29 o 2.07894  0.223218  4.91532      0.928114 4.45754      1.2179   5.54941      1.43336  1.82537  0.346152  2.00331  0.371684  
1 1 1 62 6  30 o 0.70892  0.314049  0.355614     0.885056 -0.421656    1.18324  1.34285      1.33351  0.66556  0.318066  0.919625 0.397028  
1 1 1 62 6  31 o 0.865972 0.352493  1.20972      0.961562 -0.325174    1.33383  2.87051      1.38746  0.677487 0.327098  1.15112  0.436906  
1 1 1 62 6  32 o 0.794346 0.34691   1.05496      1.04099  0.216177     1.54021  1.76036      1.41245  0.713998 0.345971  0.878016 0.392272  
1 1 1 62 7  0  o 0.736498 0.399119  0.80392      0.813094 0.80392      0.813094 0.80392      0.813094 0.732074 0.347617  ?        ?         
1 1 1 62 7  1  o 3.46842  0.0892084 12.0641      0.618825 12.4618      0.888113 11.6889      0.86274  3.52003  0.126152  3.40907  0.126536  
1 1 1 62 7  2  o 3.8116   0.0868083 14.5676      0.661756 14.1206      0.903524 15.0849      0.971948 3.74786  0.120538  3.87287  0.125482  
1 1 1 62 7  3  o 1.32342  0.18842   1.77413      0.498718 1.90007      0.711179 1.65227      0.699552 1.33666  0.275445  1.24304  0.286985  
1 1 1 62 7  4  f 0.544218 0.237973  -0.0933778   0.491138 0.405108     0.67852  -0.642       0.711825 0.777083 0.302859  0.557179 0.260076  
1 1 1 62 7  5  o 4.42308  0.0836907 19.6159      0.74034  20.0472      1.08539  19.2408      1.01241  4.46478  0.121551  4.37522  0.115698  
1 1 1 62 7  6  o 2.75628  0.108921  7.63262      0.600435 8.0456       0.953696 7.36143      0.772831 2.82063  0.169057  2.70232  0.142994  
1 1 1 62 7  7  o 4.56939  0.0796344 20.932       0.727761 20.4549      1.06425  21.3511      0.997414 4.51018  0.117984  4.60995  0.108181  
1 1 1 62 7  8  o 6.40014  0.0785296 41.0634      1.0052   43.2433      1.49236  39.2531      1.35998  6.55874  0.113769  6.25022  0.108795  
1 1 1 62 7  9  o 2.29679  0.119446  5.30759      0.548688 6.05499      0.823733 4.7115       0.735641 2.44574  0.168402  2.15708  0.170518  
1 1 1 62 7  10 o 3.19478  0.0923406 10.2487      0.590016 9.21244      0.83075  11.3033      0.838117 3.02152  0.137472  3.34948  0.125112  
1 1 1 62 7  11 o 2.10624  0.133501  4.47601      0.562372 3.99684      0.790435 4.96719      0.800283 1.97953  0.199652  2.21064  0.181007  
1 1 1 62 7  12 o 2.11915  0.134112  4.53283      0.568406 4.53936      0.813108 4.52659      0.794896 2.11025  0.192657  2.10813  0.188531  
1 1 1 62 7  13 o 0.826877 0.286808  0.657753     0.580247 0.179058     0.819404 1.13924      0.821788 0.763561 0.319624  1.04398  0.34176   
1 1 1 62 7  14 o 1.26604  0.243946  1.70899      0.595646 1.4133       0.859305 1.98247      0.826399 1.14036  0.346346  1.34512  0.312819  
1 1 1 62 7  15 o 5.3867   0.0909635 29.1637      0.979986 28.3686      1.34618  30.0601      1.42938  5.29988  0.127001  5.45386  0.131043  
1 1 1 62 7  16 o 3.06094  0.120399  9.45812      0.737065 8.82204      1.08695  9.99959      1.00285  2.93734  0.185023  3.13598  0.159895  
1 1 1 62 7  17 o 2.73451  0.1324    7.57178      0.724099 7.26905      1.0135   7.88743      1.0349   2.66174  0.190382  2.77406  0.186532  
1 1 1 62 7  18 f 1.07103  0.297553  1.26283      0.65981  0.63264      0.92339  1.92028      0.943148 0.901108 0.352873  1.30251  0.353185  
1 1 1 62 7  19 o 2.66594  0.14413   7.22109      0.768485 7.62989      1.06592  6.77862      1.10896  2.72224  0.19578   2.55758  0.216799  
1 1 1 62 7  20 f 1.66894  0.220568  2.90405      0.736229 4.01313      1.02697  1.73138      1.05601  1.94491  0.264015  1.22782  0.386205  
1 1 1 62 7  21 o 1.38113  0.276544  2.10573      0.736919 1.34603      1.01977  2.93603      1.0661   1.10361  0.380468  1.60117  0.342848  
1 1 1 62 7  22 o 1.0129   0.323908  1.15576      0.740236 1.82816      1.02359  0.418546     1.07178  1.23698  0.37847   0.869815 0.364894  
1 1 1 62 7  23 o 1.94872  0.201614  3.98868      0.785779 3.93509      1.13301  4.03834      1.09071  1.88095  0.301181  1.91581  0.284661  
1 1 1 62 7  24 o 0.435778 0.216893  -1.72922     0.74724  -1.23637     1.01573  -2.31061     1.10319  0.59439  0.286598  0.536602 0.266584  
1 1 1 62 7  25 o 1.28787  0.325966  2.00596      0.840771 2.41717      1.12574  1.48725      1.26436  1.36577  0.391687  1.10006  0.417206  
1 1 1 62 7  26 o 1.24559  0.326895  1.92397      0.824628 1.05176      1.10181  3.03472      1.24338  0.96764  0.383504  1.49837  0.405177  
1 1 1 62 7  27 o 0.605214 0.279891  -0.348461    0.800373 -0.195395    1.1163   -0.510392    1.14817  0.729121 0.334531  0.696578 0.326519  
1 1 1 62 7  28 o 0.889066 0.341667  0.989782     0.857202 1.19637      1.14574  0.727117     1.29191  0.951479 0.385681  0.876197 0.384527  
1 1 1 62 7  29 o 2.83587  0.174764  8.74402      0.991215 7.39812      1.31477  10.5164      1.50874  2.48405  0.264642  2.98325  0.252869  
1 1 1 62 7  30 o 0.536553 0.260222  -0.796187    0.874774 -0.408226    1.18548  -1.25995     1.29614  0.657083 0.315056  0.608308 0.2996    
1 1 1 62 7  31 o 1.00072  0.376447  1.75165      1.02309  1.3279       1.54587  2.08191      1.36473  0.877898 0.399559  1.00817  0.416628  
1 1 1 62 7  32 o 0.891629 0.379052  1.83428      1.18235  3.25593      1.89461  0.927466     1.51315  0.936791 0.432239  0.745468 0.357075  
1 1 1 62 8  0  f 4.0568   0.114753  16.5381      0.929373 16.5381      0.929373 16.5381      0.929373 4.06176  0.0809694 ?        ?         
1 1 1 62 8  1  o 4.23674  0.0835056 17.9977      0.707582 18.909       1.03612  17.2013      0.968633 4.33661  0.119462  4.1366   0.117081  
1 1 1 62 8  2  o 2.4655   0.115241  6.10976      0.56825  5.92988      0.833791 6.26577      0.776517 2.42132  0.172177  2.4915   0.155833  
1 1 1 62 8  3  o 4.65377  0.0794416 21.711       0.739406 20.9041      1.01965  22.6058      1.0738   4.56097  0.11178   4.74269  0.113206  
1 1 1 62 8  4  o 1.65497  0.166995  2.76914      0.552744 3.33471      0.83953  2.33637      0.734377 1.80692  0.23231   1.51096  0.243017  
1 1 1 62 8  5  o 2.36942  0.121219  5.64698      0.574438 5.40077      0.881342 5.82882      0.757423 2.3072   0.190998  2.40239  0.157639  
1 1 1 62 8  6  f 1.67817  0.153472  2.84285      0.515103 2.35107      0.731263 3.32717      0.725701 1.51559  0.241247  1.8094   0.200536  
1 1 1 62 8  7  o 1.2015   0.22046   1.51657      0.509989 1.34812      0.747073 1.66357      0.697901 1.12188  0.318234  1.2453   0.286067  
1 1 1 62 8  8  o 2.46069  0.11283   6.08947      0.555278 5.26938      0.786326 6.90521      0.784242 2.28037  0.172412  2.61463  0.149972  
1 1 1 62 8  9  o 2.02535  0.135002  4.13914      0.546852 4.15827      0.794636 4.12193      0.753715 2.02005  0.196688  2.01297  0.187215  
1 1 1 62 8  10 o 4.01436  0.0845752 16.1732      0.679031 15.5624      0.955796 16.7957      0.964859 3.93033  0.121592  4.08396  0.118128  
1 1 1 62 8  11 f 1.96391  0.145156  3.89935      0.570147 4.05087      0.80835  3.74934      0.804284 1.99135  0.202966  1.91437  0.210065  
1 1 1 62 8  12 o 0.50226  0.231765  -0.408081    0.544868 -0.739184    0.75971  -0.0573644   0.781888 0.56269  0.26409   0.695098 0.302103  
1 1 1 62 8  13 o 0.916119 0.289158  0.87757      0.591348 1.14375      0.838215 0.613814     0.834383 1.04651  0.345159  0.880309 0.337439  
1 1 1 62 8  14 o 3.27444  0.11272   10.8047      0.738189 11.7939      1.03957  9.79869      1.0484   3.4101   0.152425  3.10335  0.168914  
1 1 1 62 8  15 o 1.99428  0.163078  4.04517      0.650447 3.9853       0.930579 4.10236      0.909525 1.96089  0.237285  1.99209  0.228284  
1 1 1 62 8  16 o 3.75158  0.101643  14.1758      0.762641 13.4606      1.07758  14.8936      1.07949  3.64119  0.147971  3.83281  0.140823  
1 1 1 62 8  17 o 2.18037  0.165976  4.85216      0.723779 6.28138      1.07901  3.68305      0.975894 2.46245  0.219093  1.87216  0.260633  
1 1 1 62 8  18 o 2.05822  0.169594  4.32946      0.698124 5.10324      0.973475 3.51013      1.00172  2.2185   0.219399  1.82153  0.274968  
1 1 1 62 8  19 o 1.29618  0.280317  1.8519       0.706104 1.22916      0.981057 2.52121      1.01708  1.07352  0.372878  1.48783  0.347707  
1 1 1 62 8  20 o 1.69     0.217655  2.97627      0.735675 0.811267     1.00158  5.51278      1.08412  0.957475 0.369029  2.2915   0.236552  
1 1 1 62 8  21 o 2.67959  0.149307  7.34909      0.800166 7.09148      1.10226  7.63609      1.16342  2.60228  0.211788  2.69816  0.215596  
1 1 1 62 8  22 o 0.736147 0.304513  0.294184     0.730176 0.182558     1.01587  0.41349      1.05024  0.803802 0.346772  0.859622 0.36094   
1 1 1 62 8  23 o 0.756654 0.313972  0.322653     0.780037 0.793946     1.09069  -0.170782    1.11602  0.945216 0.379115  0.76884  0.345919  
1 1 1 62 8  24 o 2.23652  0.190153  5.27079      0.850559 5.29268      1.13399  5.24264      1.28605  2.19485  0.25833   2.15205  0.298798  
1 1 1 62 8  25 o 1.23615  0.327943  1.87817      0.824294 2.2617       1.10804  1.40289      1.23348  1.30806  0.392494  1.0656   0.409772  
1 1 1 62 8  26 o 0.845828 0.328103  0.744305     0.794409 1.34142      1.10005  0.0934967    1.14844  1.03331  0.389956  0.788169 0.352882  
1 1 1 62 8  27 o 1.5131   0.29583   2.80087      0.86331  3.59975      1.22316  2.00785      1.21866  1.62055  0.382985  1.16309  0.414431  
1 1 1 62 8  28 o 2.1304   0.227087  5.17689      0.967574 5.40049      1.2535   4.84726      1.52195  2.08249  0.300962  1.77526  0.432121  
1 1 1 62 8  29 o 1.49144  0.310947  2.94511      0.897076 3.70446      1.22554  2.06864      1.31667  1.55963  0.392826  1.0844   0.422041  
1 1 1 62 8  30 o 0.796133 0.339231  0.869857     0.950834 0.776795     1.33865  0.964614     1.35079  0.801345 0.36711   0.82621  0.375355  
1 1 1 62 8  31 o 0.640626 0.300859  -0.0392384   0.991667 -0.374425    1.51599  0.211462     1.31108  0.689829 0.336509  0.717006 0.339841  
1 1 1 62 9  0  o 2.68334  0.152416  7.30257      0.811935 7.30257      0.811935 7.30257      0.811935 2.69292  0.106982  ?        ?         
1 1 1 62 9  1  o 3.73699  0.082934  14.0033      0.619848 14.2993      0.871678 13.7007      0.8816   3.77138  0.115565  3.69093  0.119428  
1 1 1 62 9  2  o 1.48197  0.181978  2.22524      0.53937  2.14703      0.812893 2.28675      0.72093  1.41562  0.296641  1.49487  0.241135  
1 1 1 62 9  3  o 5.7911   0.0771195 33.6167      0.893214 33.4925      1.31861  33.722       1.21423  5.7721   0.114222  5.79425  0.104779  
1 1 1 62 9  4  o 0.614857 0.259711  0.0505329    0.549127 1.05953      0.925551 -0.497566    0.682159 1.04405  0.362221  0.565099 0.260211  
1 1 1 62 9  5  f 6.04482  0.0761475 36.6267      0.920596 37.8691      1.35697  35.5673      1.25307  6.13825  0.110534  5.95017  0.105297  
1 1 1 62 9  6  o 3.24677  0.0929152 10.5813      0.603349 10.2617      0.89401  10.8486      0.817626 3.18966  0.140142  3.28256  0.124541  
1 1 1 62 9  7  o 3.2247   0.0944761 10.4427      0.609315 10.0759      0.8609   10.8109      0.862506 3.16044  0.136199  3.27461  0.131696  
1 1 1 62 9  8  o 1.84319  0.150954  3.43598      0.556474 3.11742      0.808724 3.72243      0.766889 1.7425   0.232059  1.91036  0.200718  
1 1 1 62 9  9  o 0.808925 0.277779  0.630495     0.54312  1.6956       0.816905 -0.213277    0.727091 1.24626  0.324571  0.639224 0.283723  
1 1 1 62 9  10 o 1.11416  0.249597  1.33004      0.542291 0.838735     0.778083 1.79412      0.756215 0.937697 0.331447  1.28524  0.299467  
1 1 1 62 9  11 o 2.13942  0.138193  4.62644      0.591305 4.80717      0.848422 4.45573      0.824551 2.16913  0.195568  2.0879   0.197459  
1 1 1 62 9  12 o 1.11612  0.262172  1.34452      0.575919 1.24962      0.837294 1.42973      0.793421 1.08229  0.344326  1.14423  0.329053  
1 1 1 62 9  13 o 2.87028  0.116117  8.30565      0.666574 9.00837      0.977759 7.69545      0.911122 2.9771   0.164213  2.75124  0.165584  
1 1 1 62 9  14 o 1.78464  0.175301  3.24721      0.625701 2.52998      0.898831 3.92156      0.871549 1.52219  0.306005  1.94928  0.223557  
1 1 1 62 9  15 o 1.55412  0.206506  2.48565      0.64187  1.60555      0.921773 3.31412      0.894331 1.20187  0.357454  1.78255  0.250857  
1 1 1 62 9  16 o 2.78746  0.128244  7.86522      0.714953 7.77717      1.00818  7.9543       1.01404  2.7547   0.182992  2.78627  0.181971  
1 1 1 62 9  17 o 3.11525  0.117445  9.80656      0.731741 9.72789      1.01991  9.89002      1.05044  3.08706  0.16519   3.11128  0.168812  
1 1 1 62 9  18 o 3.76093  0.114968  14.2948      0.864775 14.9561      1.21372  13.6128      1.23245  3.82889  0.158494  3.64801  0.168921  
1 1 1 62 9  19 o 0.718394 0.2965    0.242486     0.689806 0.390419     0.960093 0.0846393    0.991742 0.846598 0.349628  0.792485 0.342268  
1 1 1 62 9  20 o 0.60813  0.274693  -0.268683    0.710698 0.202129     0.988919 -0.771579    1.02206  0.809654 0.345505  0.662329 0.310034  
1 1 1 62 9  21 o 1.22468  0.306827  1.72034      0.75067  1.79189      1.03989  1.64249      1.08474  1.22372  0.382915  1.17794  0.39265   
1 1 1 62 9  22 o 2.05977  0.188008  4.42903      0.774508 5.60614      1.09861  3.26592      1.09206  2.28717  0.240169  1.67141  0.338504  
1 1 1 62 9  23 o 0.913962 0.3338    0.884318     0.79489  1.52661      1.05806  0.0520685    1.2044   1.1249   0.38757   0.825461 0.365927  
1 1 1 62 9  24 o 0.637173 0.288243  -0.201285    0.785446 -0.223175    1.06457  -0.175134    1.1636   0.731072 0.332424  0.767465 0.34859   
1 1 1 62 9  25 o 1.13163  0.334433  1.59958      0.808767 0.953821     1.06123  2.4943       1.24915  0.9409   0.375281  1.33984  0.419764  
1 1 1 62 9  26 o 1.50465  0.282283  2.68011      0.818141 2.94473      1.09845  2.35041      1.22609  1.49587  0.368975  1.28209  0.417449  
1 1 1 62 9  27 o 0.673987 0.299781  0.0893547    0.816745 -0.528756    1.12818  0.770086     1.18394  0.672858 0.317402  0.87367  0.375596  
1 1 1 62 9  28 o 0.866687 0.352491  0.924317     0.960748 2.21568      1.4316   -0.133846    1.29591  1.13325  0.440276  0.745638 0.349044  
1 1 1 62 9  29 o 1.17189  0.373148  2.22193      0.983176 2.69299      1.36315  1.7112       1.4194   1.16926  0.435577  0.963399 0.412609  
1 1 1 62 9  30 o 1.61307  0.333814  3.78207      1.04049  3.21974      1.55846  4.2343       1.3976   1.17102  0.458459  1.49973  0.438494  
1 1 1 62 9  31 o 0.731802 0.332293  0.767542     1.05562  -0.750546    1.6989   1.72223      1.34726  0.652045 0.324881  0.856613 0.3829    
1 1 1 62 10 0  o 2.81788  0.151927  8.04656      0.850537 8.04656      0.850537 8.04656      0.850537 2.82731  0.106704  ?        ?         
1 1 1 62 10 1  o 1.74081  0.150704  3.05879      0.524693 2.45036      0.714202 3.77224      0.773382 1.54829  0.230642  1.92612  0.200762  
1 1 1 62 10 2  o 2.57428  0.107083  6.65882      0.551325 7.36239      0.771899 5.92609      0.787724 2.70173  0.142853  2.42083  0.162697  
1 1 1 62 10 3  o 1.03863  0.262274  1.15329      0.545253 1.58583      0.803257 0.783685     0.742528 1.21056  0.324908  0.915928 0.323782  
1 1 1 62 10 4  o 6.43764  0.0767851 41.5532      0.988629 39.1959      1.44076  43.6508      1.35908  6.24193  0.115409  6.59109  0.1031    
1 1 1 62 10 5  o 2.72278  0.104495  7.4521       0.569035 7.37469      0.841439 7.51734      0.772453 2.70012  0.155815  2.72883  0.141535  
1 1 1 62 10 6  o 3.80242  0.0857519 14.5113      0.652129 14.0008      0.944122 14.9771      0.901829 3.72701  0.126659  3.85701  0.116908  
1 1 1 62 10 7  o 3.4549   0.0912691 11.9864      0.630651 13.0336      0.928324 11.0889      0.859409 3.5952   0.129106  3.31605  0.129583  
1 1 1 62 10 8  o 1.95842  0.139465  3.8734       0.54626  3.69927      0.793276 4.03044      0.753327 1.90236  0.208498  1.98948  0.189328  
1 1 1 62 10 9  o 2.42669  0.121826  5.93579      0.591271 5.74498      0.858902 6.10767      0.815177 2.37604  0.180742  2.45319  0.166146  
1 1 1 62 10 10 o 3.82393  0.0914485 14.692       0.699385 13.6982      1.00306  15.6323      0.975672 3.68164  0.136224  3.93653  0.123925  
1 1 1 62 10 11 o 2.86323  0.112099  8.25824      0.641928 7.50597      0.897574 9.04588      0.918431 2.71811  0.16511   2.98706  0.153735  
1 1 1 62 10 12 o 2.13336  0.13821   4.60377      0.589702 4.49301      0.829352 4.71703      0.838656 2.09488  0.197948  2.14713  0.195297  
1 1 1 62 10 13 o 2.88086  0.11456   8.3683       0.660064 8.49207      0.939529 8.24768      0.92753  2.88981  0.162559  2.84784  0.162848  
1 1 1 62 10 14 o 2.60153  0.12437   6.83856      0.647107 9.33576      0.95575  4.72482      0.879315 3.03011  0.157709  2.14344  0.205118  
1 1 1 62 10 15 o 3.49954  0.106311  12.3493      0.74408  11.979       1.06046  12.7084      1.0443   3.43098  0.154542  3.53657  0.147643  
1 1 1 62 10 16 o 1.75998  0.194377  3.18605      0.684198 2.84836      0.990482 3.49425      0.946238 1.60354  0.320173  1.82339  0.259473  
1 1 1 62 10 17 o 0.903706 0.306415  0.837086     0.660599 0.489848     0.938082 1.17868      0.930421 0.868585 0.350257  1.05726  0.363522  
1 1 1 62 10 18 o 0.80531  0.306828  0.545389     0.686448 -0.0416942   0.986294 1.09694      0.955983 0.767366 0.336377  1.02948  0.367035  
1 1 1 62 10 19 o 1.33762  0.277764  1.97674      0.71829  2.90337      1.06946  1.21521      0.969511 1.59289  0.345413  1.06194  0.370503  
1 1 1 62 10 20 o 1.85983  0.198332  3.60672      0.73773  3.41439      1.02073  3.81706      1.06746  1.76956  0.288413  1.87283  0.284985  
1 1 1 62 10 21 o 2.14779  0.177249  4.78937      0.761388 5.27105      1.03176  4.21342      1.12822  2.22461  0.231896  1.95658  0.288315  
1 1 1 62 10 22 o 2.95673  0.14488   8.9811       0.856743 9.28328      1.15199  8.6071       1.28159  2.97486  0.193621  2.84087  0.225562  
1 1 1 62 10 23 o 0.819035 0.322815  0.595793     0.776695 0.27145      1.07112  0.955442     1.12791  0.821103 0.355178  0.974426 0.387444  
1 1 1 62 10 24 o 2.3848   0.175358  5.99199      0.836385 6.83827      1.11698  4.91187      1.26189  2.5084   0.222648  2.05298  0.30733   
1 1 1 62 10 25 o 2.17788  0.187376  5.06188      0.816165 4.60267      1.08553  5.65901      1.23788  2.01017  0.270011  2.21999  0.278802  
1 1 1 62 10 26 o 1.92228  0.214661  4.08495      0.82528  3.39754      1.10012  4.9697       1.24808  1.61309  0.350791  2.01961  0.30899   
1 1 1 62 10 27 o 0.981522 0.350646  1.32879      0.872909 2.00886      1.305    0.778136     1.17428  1.11551  0.423627  0.86339  0.372658  
1 1 1 62 10 28 o 0.595942 0.284868  -0.626039    0.950639 0.981788     1.41692  -1.94225     1.282    0.897391 0.397473  0.578758 0.287506  
1 1 1 62 10 29 o 0.681881 0.315309  0.130757     1.01535  -0.988962    1.47854  1.13008      1.39679  0.657545 0.323754  0.856156 0.385999  
1 1 1 62 10 30 o 1.06154  0.378625  2.01194      1.01741  1.9278       1.54132  2.07691      1.35439  0.944315 0.416876  0.993726 0.413117  
1 1 1 62 11 0  o 1.32556  0.380745  2.1859       0.874275 2.1859       0.874275 2.1859       0.874275 1.41425  0.239081  ?        ?         
1 1 1 62 11 1  o 4.84596  0.0752139 23.5473      0.728967 24.4032      1.03747  22.7126      1.02448  4.9269   0.105287  4.75257  0.107781  
1 1 1 62 11 2  o 1.61722  0.165744  2.65066      0.536088 2.39675      0.752101 2.91291      0.764333 1.52572  0.246473  1.68574  0.226705  
1 1 1 62 11 3  o 5.85631  0.0754904 34.3935      0.88419  32.8135      1.26267  35.9138      1.23855  5.71111  0.110545  5.97699  0.10361   
1 1 1 62 11 4  o 2.91405  0.0962333 8.53101      0.560857 9.02365      0.789534 8.02918      0.796859 2.991    0.131985  2.81961  0.141307  
1 1 1 62 11 5  o 2.47267  0.113598  6.15385      0.561779 6.74292      0.814236 5.61868      0.776088 2.58062  0.15776   2.35436  0.16482   
1 1 1 62 11 6  o 1.82553  0.14902   3.37018      0.544079 3.60367      0.782576 3.15174      0.756953 1.87769  0.208387  1.75466  0.215698  
1 1 1 62 11 7  o 2.37205  0.116123  5.66654      0.5509   5.36168      0.781645 5.96745      0.77656  2.29806  0.170066  2.4265   0.160017  
1 1 1 62 11 8  o 1.51497  0.173529  2.33331      0.525782 1.80996      0.742657 2.85923      0.744484 1.29088  0.294117  1.66805  0.223161  
1 1 1 62 11 9  f 1.72639  0.17363   3.03195      0.599506 3.47091      0.827503 2.54705      0.869732 1.8364   0.225306  1.53599  0.29361   
1 1 1 62 11 10 o 6.05008  0.0840661 36.7554      1.01721  32.9636      1.40683  40.9096      1.47253  5.716    0.123061  6.3711   0.115563  
1 1 1 62 11 11 o 1.56468  0.18723   2.50035      0.585912 2.57576      0.829581 2.42529      0.827631 1.54789  0.278079  1.49853  0.286387  
1 1 1 62 11 12 o 2.28585  0.132239  5.28301      0.604554 5.64611      0.871689 4.94649      0.839174 2.35044  0.185431  2.1986   0.190843  
1 1 1 62 11 13 o 2.36361  0.133496  5.65351      0.631064 5.96419      0.914912 5.37157      0.871581 2.4132   0.189564  2.28996  0.190305  
1 1 1 62 11 14 o 1.68606  0.182206  2.91188      0.614418 2.85657      0.883457 2.9637       0.855074 1.64749  0.268123  1.68236  0.254129  
1 1 1 62 11 15 o 4.2998   0.100879  18.6302      0.867516 20.5621      1.21875  16.646       1.23512  4.50356  0.135309  4.04455  0.152689  
1 1 1 62 11 16 o 1.92649  0.173647  3.79734      0.669061 2.8495       0.954257 4.7138       0.938335 1.60868  0.307584  2.13178  0.220082  
1 1 1 62 11 17 o 1.45565  0.229414  2.21429      0.667893 1.31134      0.961826 3.05513      0.928161 1.09598  0.369734  1.69456  0.273865  
1 1 1 62 11 18 o 3.22947  0.125363  10.5745      0.809714 11.8579      1.1007   9.06091      1.19537  3.40425  0.161665  2.95697  0.202127  
1 1 1 62 11 19 o 1.54544  0.228394  2.51751      0.705938 2.70708      0.998605 2.32814      0.99809  1.535    0.334565  1.41147  0.353901  
1 1 1 62 11 20 o 1.65333  0.220628  2.88925      0.72954  2.69097      1.05526  3.07078      1.0097   1.50761  0.355369  1.63708  0.319792  
1 1 1 62 11 21 o 0.63142  0.285462  -0.247428    0.769168 0.131943     0.993107 -0.816153    1.21595  0.784246 0.340654  0.715743 0.335595  
1 1 1 62 11 22 o 0.553902 0.260293  -0.632692    0.744821 -0.350676    1.04446  -0.924498    1.06244  0.71416  0.325959  0.645195 0.305861  
1 1 1 62 11 23 o 0.713683 0.304833  0.203555     0.771048 0.718602     1.05222  -0.393727    1.13312  0.899962 0.36793   0.727044 0.335008  
1 1 1 62 11 24 o 1.0546   0.330216  1.377        0.773184 0.437023     1.03278  2.5756       1.16623  0.824489 0.352499  1.38173  0.399456  
1 1 1 62 11 25 o 1.40371  0.284746  2.34542      0.771544 2.19257      1.00264  2.56735      1.20812  1.28275  0.370232  1.34848  0.410892  
1 1 1 62 11 26 o 0.876695 0.335931  0.938001     0.826696 2.60202      1.13924  -0.912861    1.20149  1.33162  0.397663  0.653036 0.314097  
1 1 1 62 11 27 o 0.524851 0.256653  -1.18178     0.898449 -1.15381     1.26332  -1.21039     1.27801  0.638571 0.310643  0.637447 0.310599  
1 1 1 62 11 28 o 0.755082 0.329563  0.581084     0.938317 0.69541      1.3924   0.485977     1.26999  0.820195 0.375187  0.781786 0.357908  
1 1 1 62 11 29 o 0.527666 0.259924  -1.08302     0.955064 -1.97345     1.44134  -0.386033    1.2752   0.584066 0.292033  0.662881 0.319992  
1 1 1 62 11 30 o 0.860205 0.369625  1.42787      1.14562  2.82662      1.68516  0.225887     1.56213  0.991774 0.437111  0.72072  0.349031  
1 1 1 62 12 0  o 4.54371  0.115323  20.7542      1.04646  20.7542      1.04646  20.7542      1.04646  4.54971  0.0813783 ?        ?         
1 1 1 62 12 1  o 1.80631  0.158305  3.30402      0.571894 3.17155      0.776183 3.46135      0.845863 1.75945  0.220576  1.83609  0.230344  
1 1 1 62 12 2  o 1.7432   0.162876  3.07955      0.567851 2.35151      0.833591 3.70991      0.775659 1.47892  0.292224  1.90627  0.20345   
1 1 1 62 12 3  o 1.99659  0.138796  4.02539      0.554236 4.72339      0.818569 3.43453      0.75313  2.15365  0.190042  1.83369  0.205359  
1 1 1 62 12 4  o 4.02852  0.0810896 16.284       0.653343 16.6208      0.906846 15.9205      0.942096 4.06382  0.111575  3.97567  0.118483  
1 1 1 62 12 5  o 2.99305  0.0950863 9.00125      0.569196 8.55973      0.773729 9.52204      0.840316 2.91208  0.132848  3.07054  0.136835  
1 1 1 62 12 6  o 3.09132  0.0948569 9.60345      0.586465 10.4884      0.822913 8.69006      0.836016 3.22414  0.127617  2.93151  0.142591  
1 1 1 62 12 7  f 1.19195  0.240558  1.51578      0.553377 1.50501      0.770629 1.52724      0.795131 1.17291  0.319793  1.1809   0.326112  
1 1 1 62 12 8  o 2.37048  0.119419  5.66568      0.566161 5.62529      0.801958 5.70581      0.799394 2.35197  0.170486  2.36916  0.168709  
1 1 1 62 12 9  o 0.430239 0.208107  -0.86325     0.549055 -0.238016    0.770167 -1.50941     0.782953 0.652067 0.290538  0.482267 0.236852  
1 1 1 62 12 10 o 1.75231  0.164314  3.12137      0.575858 3.56963      0.825887 2.69725      0.803351 1.86128  0.22186   1.61172  0.249222  
1 1 1 62 12 11 o 2.95965  0.108459  8.82532      0.642002 8.13194      0.897445 9.55207      0.918788 2.82883  0.158625  3.06858  0.149709  
1 1 1 62 12 12 o 0.595856 0.259924  -0.0678176   0.582999 0.538032     0.849807 -0.606477    0.8013   0.859677 0.338037  0.600756 0.278679  
1 1 1 62 12 13 o 1.87954  0.16424   3.60223      0.617389 3.96945      0.89267  3.2655       0.854801 1.95563  0.228231  1.76991  0.241482  
1 1 1 62 12 14 o 1.65702  0.190495  2.82074      0.63131  3.16958      0.927418 2.51952      0.861804 1.73429  0.267376  1.51693  0.294574  
1 1 1 62 12 15 o 3.21037  0.110668  10.4031      0.71057  10.7555      1.03942  10.094       0.973597 3.24782  0.160019  3.14838  0.154619  
1 1 1 62 12 16 o 2.1256   0.16035   4.61477      0.681678 4.6817       0.998023 4.55624      0.933305 2.11543  0.235892  2.09177  0.22309   
1 1 1 62 12 17 f 2.62748  0.136655  7.0173       0.71812  6.59238      1.03673  7.40923      0.995664 2.52096  0.205622  2.68151  0.185653  
1 1 1 62 12 18 o 2.02398  0.175189  4.22136      0.709156 4.98977      1.02758  3.52259      0.979912 2.17463  0.236266  1.81259  0.270307  
1 1 1 62 12 19 o 0.729191 0.303846  0.251327     0.735305 -1.18702     0.96751  2.21812      1.13136  0.586979 0.282211  1.35015  0.394449  
1 1 1 62 12 20 o 1.14171  0.322275  1.5194       0.767994 2.17981      0.989733 0.520008     1.21753  1.34743  0.360209  0.919254 0.387425  
1 1 1 62 12 21 o 1.19956  0.322281  1.69537      0.789822 3.00564      1.14855  0.519893     1.08787  1.57016  0.371152  0.882674 0.368804  
1 1 1 62 12 22 o 0.52889  0.253624  -0.884797    0.768869 -1.56359     1.03883  -0.0625076   1.14337  0.567666 0.277213  0.782422 0.351159  
1 1 1 62 12 23 o 1.05966  0.335596  1.3846       0.79604  1.58031      1.1058   1.17409      1.14686  1.10648  0.394722  1.00474  0.393301  
1 1 1 62 12 24 o 0.704511 0.302434  0.216917     0.76569  0.299779     1.02307  0.111394     1.15451  0.792542 0.345029  0.792303 0.354296  
1 1 1 62 12 25 o 0.859801 0.334931  0.839491     0.829627 0.0696778    1.16162  1.64098      1.18528  0.768564 0.348877  1.07599  0.405105  
1 1 1 62 12 26 o 0.83069  0.336533  0.785849     0.871664 0.963635     1.28126  0.632668     1.18931  0.905859 0.390105  0.840675 0.368939  
1 1 1 62 12 27 o 0.760745 0.332462  0.45098      0.957435 1.25099      1.40985  -0.233755    1.30433  0.94315  0.407723  0.730234 0.343533  
1 1 1 62 12 28 o 0.625919 0.293642  -0.165734    0.935686 -0.15279     1.41053  -0.175905    1.25041  0.716049 0.343409  0.688886 0.328678  
1 1 1 62 12 29 o 0.865035 0.359796  1.20358      1.02813  2.25177      1.49998  0.274731     1.412    1.00912  0.427888  0.7484   0.353756  
1 1 1 62 12 30 o 0.77554  0.352759  1.13358      1.20095  1.85571      1.79574  0.549254     1.61533  0.818169 0.391198  0.717069 0.349359  
1 1 1 62 13 0  o 5.6663   0.112426  32.2528      1.27295  32.2528      1.27295  32.2528      1.27295  5.67272  0.0793719 ?        ?         
1 1 1 62 13 1  f 3.67206  0.0916899 13.5446      0.673381 14.5578      0.891729 12.2002      1.02718  3.80147  0.117287  3.47257  0.147899  
1 1 1 62 13 2  o 2.71795  0.108118  7.43388      0.587718 6.8684       0.855538 7.93921      0.808751 2.60178  0.164414  2.8019   0.144322  
1 1 1 62 13 3  o 0.82006  0.270159  0.676203     0.513518 0.763116     0.694089 0.571099     0.763281 0.892405 0.313285  0.848881 0.32351   
1 1 1 62 13 4  o 4.47328  0.081682  20.0852      0.730772 21.3545      1.01844  18.738       1.04918  4.60524  0.110574  4.31078  0.121693  
1 1 1 62 13 5  o 2.84512  0.100395  8.14135      0.571271 7.78605      0.79078  8.52918      0.82618  2.77423  0.142522  2.90366  0.142265  
1 1 1 62 13 6  o 2.77703  0.103151  7.75942      0.572905 7.67987      0.778538 7.85337      0.846092 2.75533  0.141278  2.78378  0.151968  
1 1 1 62 13 7  o 3.28345  0.0940163 10.8371      0.617395 11.6772      0.857144 9.93138      0.890043 3.40131  0.126002  3.13284  0.142051  
1 1 1 62 13 8  o 0.493554 0.225646  -0.323967    0.502875 -0.105959    0.663202 -0.618855    0.771326 0.628826 0.275739  0.586073 0.272463  
1 1 1 62 13 9  f 2.57735  0.118423  6.70054      0.610435 6.31189      0.863477 7.08885      0.863093 2.48897  0.173461  2.64046  0.163436  
1 1 1 62 13 10 o 2.32686  0.131127  5.4745       0.610226 5.08016      0.878691 5.84186      0.848102 2.22586  0.197382  2.39265  0.177231  
1 1 1 62 13 11 o 1.33584  0.222544  1.84473      0.594566 1.78105      0.856918 1.90384      0.825641 1.26419  0.333907  1.31071  0.317795  
1 1 1 62 13 12 f 2.07089  0.143711  4.35363      0.59522  4.58638      0.854207 4.13396      0.829857 2.11019  0.202401  2.00199  0.207258  
1 1 1 62 13 13 o 0.721421 0.283748  0.359966     0.59891  0.982023     0.863315 -0.217159    0.831551 0.987714 0.349128  0.678463 0.302108  
1 1 1 62 13 14 o 3.15216  0.113701  10.0343      0.716804 10.8977      1.04012  9.25345      0.98922  3.26963  0.159058  3.01099  0.164268  
1 1 1 62 13 15 o 1.04526  0.291246  1.20544      0.631223 0.845606     0.918691 1.52723      0.868767 0.954537 0.357187  1.16564  0.347095  
1 1 1 62 13 16 o 2.60119  0.13621   6.87655      0.708615 7.69533      1.03781  6.16141      0.969901 2.73107  0.19      2.44024  0.198731  
1 1 1 62 13 17 o 1.3151   0.26555   1.90075      0.67399  2.451        0.969777 1.38664      0.93738  1.46309  0.337968  1.11077  0.365005  
1 1 1 62 13 18 o 1.98746  0.196215  4.1166       0.779939 3.80524      1.02541  4.54399      1.20137  1.87529  0.2734    2.03665  0.294938  
1 1 1 62 13 19 o 0.576966 0.268329  -0.521645    0.748987 -0.203171    0.9786   -0.972035    1.16376  0.721672 0.324353  0.682451 0.322056  
1 1 1 62 13 20 o 0.681002 0.294249  0.0728237    0.733603 -0.621924    0.994218 0.903156     1.08691  0.661632 0.308263  0.969917 0.382007  
1 1 1 62 13 21 f 1.17118  0.323948  1.63538      0.783849 2.46563      1.10693  0.800318     1.11014  1.40049  0.383907  0.939623 0.380149  
1 1 1 62 13 22 o 0.851025 0.326987  0.727411     0.785004 -0.284164    1.06572  1.92726      1.16067  0.719883 0.328857  1.20977  0.406159  
1 1 1 62 13 23 o 1.47765  0.28009   2.55326      0.797725 1.39904      1.05124  4.12023      1.22486  1.05184  0.383898  1.81989  0.34897   
1 1 1 62 13 24 o 1.55583  0.277661  2.85513      0.832887 3.44972      1.15998  2.22237      1.19664  1.62604  0.36559   1.24808  0.412404  
1 1 1 62 13 25 o 0.754789 0.324046  0.413307     0.879165 0.453997     1.22824  0.370554     1.25899  0.827343 0.367818  0.819583 0.368146  
1 1 1 62 13 26 f 1.78029  0.280637  3.86467      0.999231 5.54026      1.5325   2.62548      1.31791  1.94183  0.407592  1.25606  0.432572  
1 1 1 62 13 27 o 0.779431 0.33502   0.69993      0.941651 1.5655       1.38389  -0.0463571   1.285    0.948294 0.40682   0.720693 0.339608  
1 1 1 62 13 28 o 0.70175  0.319051  0.35674      0.979974 0.252166     1.50984  0.432863     1.28819  0.751453 0.359157  0.748782 0.349649  
1 1 1 62 13 29 o 1.01357  0.388452  2.04467      1.10557  1.95487      1.50859  2.14885      1.62491  0.918205 0.407974  0.930402 0.418072  
1 1 1 62 14 0  o 0.977066 0.406418  1.38915      0.788078 1.38915      0.788078 1.38915      0.788078 1.05975  0.303617  ?        ?         
1 1 1 62 14 1  o 1.96718  0.163012  3.92881      0.641347 4.10381      0.888127 3.7381       0.927132 1.99756  0.222303  1.90114  0.243836  
1 1 1 62 14 2  f 3.58962  0.0947096 12.952       0.679944 13.9499      0.977559 12.0167      0.946371 3.71643  0.131519  3.4478   0.137243  
1 1 1 62 14 3  o 1.60057  0.179643  2.60974      0.575064 2.41466      0.740874 2.90541      0.91209  1.52805  0.242425  1.6687   0.273294  
1 1 1 62 14 4  o 1.80847  0.147877  3.31236      0.53486  4.71985      0.746901 1.83086      0.766284 2.15364  0.173404  1.29507  0.301257  
1 1 1 62 14 5  o 4.2033   0.0799967 17.7346      0.6725   17.3027      0.924881 18.219       0.979593 4.14441  0.111582  4.25171  0.1152    
1 1 1 62 14 6  o 4.10215  0.0835272 16.8984      0.685282 17.2938      0.980076 16.5201      0.958553 4.14107  0.118336  4.04736  0.118417  
1 1 1 62 14 7  o 4.62442  0.0813191 21.4723      0.752107 21.9118      1.06215  21.0304      1.06513  4.66225  0.11391   4.56664  0.116621  
1 1 1 62 14 8  o 2.05734  0.130983  4.27872      0.538954 4.16184      0.717262 4.43029      0.816792 2.01977  0.17756   2.0793   0.19641   
1 1 1 62 14 9  o 5.56027  0.0891355 31.0786      0.991235 31.391       1.45041  30.8049      1.35781  5.57161  0.130161  5.52266  0.122931  
1 1 1 62 14 10 o 3.42645  0.0968107 11.8172      0.663435 11.0554      0.917356 12.6524      0.960616 3.3029   0.138871  3.5344   0.135895  
1 1 1 62 14 11 o 2.89752  0.111393  8.4731       0.645528 8.29787      0.914652 8.64701      0.911186 2.85359  0.160263  2.91432  0.156329  
1 1 1 62 14 12 o 0.937016 0.284018  0.9448       0.578239 0.667736     0.830162 1.20589      0.805885 0.886473 0.337517  1.05463  0.338038  
1 1 1 62 14 13 o 0.675838 0.275853  0.223686     0.590506 0.762262     0.867202 -0.241925    0.806321 0.922375 0.34666   0.662458 0.296164  
1 1 1 62 14 14 o 1.73044  0.177771  3.07129      0.615244 2.22789      0.891679 3.83767      0.849989 1.40948  0.323059  1.92122  0.221211  
1 1 1 62 14 15 o 1.53174  0.205993  2.43359      0.631055 3.23203      0.932787 1.75974      0.856924 1.74396  0.267434  1.24387  0.336371  
1 1 1 62 14 16 o 0.587168 0.265855  -0.282426    0.669622 -0.46003     0.918561 -0.0809977   0.978231 0.667798 0.305165  0.754715 0.332781  
1 1 1 62 14 17 o 2.4722   0.162168  6.28322      0.801822 7.10258      1.04724  5.12237      1.24651  2.6097   0.200643  2.16993  0.287224  
1 1 1 62 14 18 o 1.86994  0.2098    3.67889      0.784626 2.972        1.0372   4.62465      1.19971  1.59879  0.335118  2.04924  0.292722  
1 1 1 62 14 19 o 1.55263  0.231185  2.57225      0.71789  1.66848      0.972024 3.6568       1.06481  1.17867  0.370487  1.8167   0.293061  
1 1 1 62 14 20 f 1.4517   0.263875  2.36226      0.737848 1.14072      0.996166 3.84694      1.09823  1.01214  0.373285  1.85188  0.29652   
1 1 1 62 14 21 o 0.589838 0.271317  -0.366972    0.73948  -1.24211     0.978022 0.801098     1.12991  0.57394  0.277639  0.934093 0.381475  
1 1 1 62 14 22 o 1.84189  0.222067  3.69716      0.818046 2.54101      1.10101  5.12197      1.22225  1.38933  0.383776  2.10745  0.289984  
1 1 1 62 14 23 o 0.8568   0.336019  0.762706     0.83793  1.36508      1.17409  0.137392     1.19624  1.03839  0.399686  0.804875 0.360261  
1 1 1 62 14 24 o 1.7316   0.266458  3.49637      0.922797 4.40288      1.41242  2.82123      1.21892  1.76428  0.408087  1.38876  0.410614  
1 1 1 62 14 25 o 1.97367  0.228855  4.44963      0.90337  3.69878      1.29324  5.16513      1.26243  1.57395  0.407665  2.02248  0.3121    
1 1 1 62 14 26 o 1.32332  0.360304  2.51613      0.979072 1.95731      1.45582  2.97759      1.32294  1.06366  0.433471  1.32793  0.433622  
1 1 1 62 14 27 o 1.26067  0.36836   2.54167      0.986589 2.15063      1.48679  2.84932      1.31877  1.01236  0.427466  1.2006   0.430784  
1 1 1 62 14 28 o 0.570514 0.277372  -0.787711    1.00462  -1.36069     1.43366  -0.234906    1.40819  0.621625 0.307944  0.701515 0.338055  
1 1 1 62 14 29 o 0.687268 0.321344  0.495639     1.09254  1.58678      1.64378  -0.367829    1.46226  0.802709 0.380492  0.641945 0.316307  
1 1 1 62 15 0  o 1.17979  0.377786  1.80543      0.78341  1.80543      0.78341  1.80543      0.78341  1.27056  0.244412  ?        ?         
1 1 1 62 15 1  o 2.39846  0.132111  5.81239      0.633727 6.08193      0.902628 5.55037      0.889955 2.44139  0.184859  2.33071  0.190919  
1 1 1 62 15 2  o 6.0141   0.0806458 36.3102      0.970025 36.1627      1.42912  36.4363      1.32091  5.988    0.119332  6.01452  0.10981   
1 1 1 62 15 3  o 1.62411  0.17197   2.68481      0.558596 1.92017      0.739263 3.70234      0.852793 1.32952  0.286211  1.89528  0.224978  
1 1 1 62 15 4  o 0.835177 0.275813  0.70601      0.535237 0.919953     0.713962 0.431493     0.808745 0.949417 0.318551  0.821245 0.327594  
1 1 1 62 15 5  o 3.71079  0.0884653 13.8368      0.656553 14.6915      0.907166 12.8967      0.951426 3.81609  0.118861  3.57141  0.1332    
1 1 1 62 15 6  o 1.8679   0.150692  3.53931      0.562956 3.95268      0.753663 3.01755      0.846719 1.96513  0.191759  1.70376  0.248486  
1 1 1 62 15 7  o 4.29677  0.0832858 18.5459      0.715719 18.4356      0.995262 18.6641      1.02999  4.27468  0.116414  4.29998  0.119767  
1 1 1 62 15 8  o 0.773121 0.274485  0.559329     0.534156 1.3809       0.713389 -0.489021    0.805856 1.12066  0.308639  0.621615 0.284798  
1 1 1 62 15 9  o 2.18512  0.128667  4.83139      0.562307 4.35393      0.735005 5.50522      0.873168 2.06335  0.17811   2.31711  0.188417  
1 1 1 62 15 10 o 2.54397  0.108854  6.52907      0.553843 7.27369      0.753946 5.65626      0.816267 2.67729  0.140804  2.35207  0.173521  
1 1 1 62 15 11 o 3.66934  0.10679   13.5801      0.783698 13.4623      1.05406  13.7258      1.17192  3.64035  0.144775  3.6696   0.159679  
1 1 1 62 15 12 o 2.82358  0.137657  8.08837      0.77737  7.78858      1.10408  8.38309      1.09472  2.74858  0.200846  2.85537  0.191694  
1 1 1 62 15 13 o 3.64994  0.11395   13.4631      0.831824 12.5394      1.07978  14.8116      1.30461  3.5074   0.153929  3.80328  0.171511  
1 1 1 62 15 14 o 1.86474  0.171546  3.56702      0.639777 3.04311      0.860639 4.21413      0.956495 1.69733  0.253527  2.00345  0.238712  
1 1 1 62 15 15 o 0.694917 0.294759  0.121565     0.712201 -0.381183    0.882415 1.06109      1.20629  0.665764 0.302707  1.05496  0.405341  
1 1 1 62 15 16 o 1.01349  0.330599  1.14163      0.768991 0.798507     0.971387 1.71766      1.25861  0.938353 0.363058  1.21251  0.422229  
1 1 1 62 15 17 o 1.22419  0.301131  1.71526      0.733178 1.61256      0.982791 1.84415      1.10099  1.16782  0.373199  1.23598  0.395005  
1 1 1 62 15 18 o 1.29192  0.287158  1.89801      0.722506 2.25431      1.00066  1.50995      1.0443   1.36945  0.360421  1.13083  0.38526   
1 1 1 62 15 19 o 2.06648  0.182175  4.45969      0.752925 3.4244       1.00762  5.76857      1.13296  1.75607  0.286897  2.31039  0.245188  
1 1 1 62 15 20 o 1.04218  0.326604  1.29087      0.756149 -0.172437    1.02558  3.03376      1.11927  0.730174 0.329892  1.56864  0.363567  
1 1 1 62 15 21 o 2.04557  0.207539  4.4971       0.849074 3.54624      1.18253  5.50897      1.21988  1.68077  0.362128  2.20455  0.276674  
1 1 1 62 15 22 o 0.636492 0.290275  -0.2451      0.824951 -0.299767    1.15598  -0.188366    1.17763  0.734821 0.338508  0.756141 0.345533  
1 1 1 62 15 23 o 1.85151  0.24078   3.85774      0.891613 4.70032      1.3212   3.1531       1.20822  1.90678  0.359603  1.50978  0.395438  
1 1 1 62 15 24 o 0.499107 0.245816  -1.40629     0.873017 -1.14716     1.31827  -1.60871     1.16513  0.659832 0.319834  0.580549 0.285957  
1 1 1 62 15 25 f 1.16663  0.352566  1.92695      0.891922 1.7545       1.31556  2.07364      1.21336  1.04924  0.418043  1.1362   0.412659  
1 1 1 62 15 26 o 1.37947  0.361163  2.88235      1.00811  4.02783      1.46282  1.84624      1.39123  1.46669  0.453198  0.99465  0.416424  
1 1 1 62 15 27 o 1.15075  0.388423  2.37446      1.06152  2.35608      1.48294  2.39379      1.52018  1.02208  0.429013  1.02138  0.431805  
1 1 1 62 15 28 o 0.733401 0.330886  0.610004     1.02818  0.682041     1.43501  0.534008     1.47391  0.768053 0.361035  0.755652 0.359183  
1 1 1 62 16 0  o 0.625904 0.37372   0.48264      0.809788 0.48264      0.809788 0.48264      0.809788 0.581403 0.32755   ?        ?         
1 1 1 62 16 1  o 1.19425  0.252231  1.5347       0.583787 1.07728      0.865827 1.916        0.790505 1.02559  0.350798  1.32174  0.305017  
1 1 1 62 16 2  o 3.2648   0.0978787 10.7232      0.639108 12.0179      0.889226 9.3398       0.919189 3.4485   0.12893   3.03405  0.151479  
1 1 1 62 16 3  o 2.68522  0.110081  7.26605      0.591183 6.5363       0.818286 8.06282      0.855042 2.5355   0.161366  2.81876  0.15167   
1 1 1 62 16 4  o 2.97879  0.100259  8.93088      0.597303 8.79138      0.833224 9.07836      0.856692 2.9459   0.141421  2.99314  0.143109  
1 1 1 62 16 5  o 0.612031 0.259369  0.0573729    0.550638 -0.318269    0.75245  0.490469     0.807947 0.626614 0.282866  0.834643 0.329157  
1 1 1 62 16 6  o 4.82678  0.083497  23.4082      0.806044 23.9985      1.11798  22.7692      1.1632   4.87708  0.114616  4.74754  0.122505  
1 1 1 62 16 7  o 1.49664  0.191675  2.29823      0.573736 2.74007      0.753701 1.68942      0.884729 1.62469  0.231953  1.22891  0.345584  
1 1 1 62 16 8  o 3.62483  0.0941341 13.226       0.68244  13.9935      0.924932 12.3089      1.01104  3.71956  0.124333  3.48134  0.145208  
1 1 1 62 16 9  o 2.95295  0.137857  8.84438      0.814171 7.69825      1.10053  10.23        1.21007  2.73334  0.201317  3.15522  0.191756  
1 1 1 62 16 10 o 2.79705  0.151043  7.95904      0.844951 9.33606      1.19244  6.5704       1.19746  3.01094  0.198018  2.50954  0.238581  
1 1 1 62 16 11 o 5.79716  0.101409  33.8729      1.17577  36.8139      1.72029  31.2947      1.61069  6.02031  0.142874  5.54934  0.145125  
1 1 1 62 16 12 o 1.349    0.308193  2.03003      0.813647 2.19015      1.18409  1.8868       1.11993  1.36958  0.40463   1.27954  0.396777  
1 1 1 62 16 13 o 3.99758  0.124167  16.1969      0.992739 14.4335      1.45444  17.7352      1.35837  3.73761  0.194567  4.16301  0.163148  
1 1 1 62 16 14 o 0.671611 0.302725  -0.287879    0.858611 -0.572892    1.18417  0.0280574    1.24676  0.751514 0.344699  0.861411 0.377894  
1 1 1 62 16 15 f 2.38635  0.171708  5.86929      0.819509 4.31845      1.18103  7.30942      1.13809  1.98932  0.296842  2.64086  0.215477  
1 1 1 62 16 16 o 1.6793   0.2014    2.9516       0.676423 2.34097      0.857344 3.95844      1.1009   1.43119  0.308331  1.89977  0.289747  
1 1 1 62 16 17 o 0.650874 0.28278   0.0205605    0.684597 0.202552     0.891942 -0.240368    1.068    0.767438 0.327829  0.745604 0.336767  
1 1 1 62 16 18 o 0.973852 0.315661  1.07698      0.701295 0.773457     0.927163 1.48283      1.07212  0.907397 0.353949  1.11744  0.38964   
1 1 1 62 16 19 o 0.827507 0.314398  0.663591     0.719064 1.24756      0.969804 -0.049438    1.07162  1.03486  0.369606  0.766568 0.342102  
1 1 1 62 16 20 o 0.939582 0.334112  1.01136      0.791712 0.997407     1.1619   1.02344      1.08169  0.975191 0.39123   0.971178 0.381539  
1 1 1 62 16 21 o 2.78425  0.161805  8.12907      0.901013 8.07962      1.25606  8.18149      1.29321  2.71106  0.231654  2.72175  0.237569  
1 1 1 62 16 22 o 0.575376 0.271396  -0.631491    0.824516 -0.387416    1.16131  -0.879584    1.17083  0.719689 0.334481  0.665282 0.317566  
1 1 1 62 16 23 o 2.05435  0.228853  4.75628      0.940286 1.94197      1.41701  6.97044      1.25687  1.11708  0.437196  2.4526   0.256233  
1 1 1 62 16 24 o 0.741738 0.319156  0.414348     0.856194 1.18097      1.27045  -0.223569    1.15891  0.942156 0.396352  0.709129 0.33133   
1 1 1 62 16 25 o 0.868092 0.352891  0.990382     0.962452 3.43198      1.39231  -1.24402     1.33192  1.40825  0.443557  0.638362 0.312238  
1 1 1 62 16 26 o 0.698435 0.320674  0.225583     1.02771  0.426838     1.43421  0.0131824    1.47339  0.774216 0.363274  0.738099 0.353258  
1 1 1 62 16 27 o 0.800717 0.346414  0.881588     1.01921  0.148684     1.41448  1.67304      1.46989  0.736797 0.351001  0.923655 0.407513  
1 1 1 62 16 28 o 0.683388 0.317821  0.487465     1.05073  2.52803      1.47866  -1.59388     1.49337  0.935723 0.411011  0.57521  0.289438  
1 1 1 62 17 0  o 1.03641  0.428142  1.57285      0.876354 1.57285      0.876354 1.57285      0.876354 1.12839  0.317522  ?        ?         
1 1 1 62 17 1  o 4.34119  0.0874217 18.9423      0.759029 19.657       1.14039  18.3738      1.01703  4.409    0.129326  4.26621  0.119196  
1 1 1 62 17 2  o 1.59786  0.181145  2.60962      0.578889 2.29612      0.785273 2.98277      0.856732 1.45628  0.27959   1.69085  0.253344  
1 1 1 62 17 3  o 3.75022  0.0890136 14.1404      0.66764  14.3607      0.940496 13.9167      0.947919 3.76952  0.12475   3.70983  0.127758  
1 1 1 62 17 4  o 2.95845  0.0991888 8.81271      0.58689  9.09372      0.81223  8.5057       0.848965 2.99639  0.135535  2.89477  0.146638  
1 1 1 62 17 5  o 2.46979  0.117502  6.16056      0.580409 5.44743      0.813849 6.89868      0.827979 2.30833  0.176285  2.60297  0.159045  
1 1 1 62 17 6  o 2.50823  0.116983  6.35526      0.586839 7.31646      0.833201 5.40907      0.826668 2.68101  0.155389  2.29836  0.179839  
1 1 1 62 17 7  o 1.84929  0.14653   3.47492      0.541951 3.29779      0.721024 3.70494      0.821669 1.789    0.201516  1.89172  0.217175  
1 1 1 62 17 8  o 3.44756  0.120471  12.0161      0.830658 12.2899      1.22474  11.7829      1.13038  3.46496  0.176732  3.39721  0.166369  
1 1 1 62 17 9  o 0.703575 0.298866  0.100129     0.73397  0.34026      1.09565  -0.0953609   0.988571 0.882621 0.369537  0.763201 0.335643  
1 1 1 62 17 10 o 3.21297  0.132362  10.4644      0.850552 8.63095      1.28994  11.8746      1.13133  2.88199  0.223793  3.40949  0.165909  
1 1 1 62 17 11 o 1.56     0.248904  2.5616       0.776582 1.39252      1.1591   3.51381      1.04608  1.13873  0.404334  1.81169  0.288704  
1 1 1 62 17 12 o 3.51923  0.122948  12.5496      0.865365 12.4628      1.27644  12.6235      1.1772   3.47917  0.18344   3.50982  0.167701  
1 1 1 62 17 13 f 0.784869 0.318231  0.380229     0.780326 0.499305     1.17507  0.286295     1.04367  0.926302 0.384924  0.846671 0.357856  
1 1 1 62 17 14 o 1.06819  0.340159  1.29057      0.817007 0.747202     1.20147  1.75794      1.11429  0.975046 0.395067  1.22193  0.397961  
1 1 1 62 17 15 o 1.25489  0.300922  1.79826      0.746628 0.538711     1.06896  2.99802      1.04329  0.893654 0.368982  1.60843  0.335326  
1 1 1 62 17 16 o 2.94815  0.145593  8.91757      0.85846  9.30243      1.26322  8.58731      1.1702   2.96896  0.212738  2.85811  0.204715  
1 1 1 62 17 17 o 0.776148 0.315879  0.411207     0.772052 0.656319     1.1334   0.199009     1.05456  0.923623 0.380439  0.813221 0.352104  
1 1 1 62 17 18 o 1.46401  0.274594  2.42816      0.774349 3.08737      1.09172  1.76073      1.0985   1.59994  0.35076   1.18783  0.395132  
1 1 1 62 17 19 o 0.651558 0.29093   -0.102815    0.775923 -0.176566    1.12883  -0.0367601   1.06831  0.756758 0.343624  0.760647 0.340459  
1 1 1 62 17 20 o 1.47273  0.283166  2.53734      0.804295 2.98399      1.18315  2.15361      1.09666  1.50327  0.390195  1.26943  0.39243   
1 1 1 62 17 21 o 2.13024  0.203342  4.90078      0.866335 3.99671      1.21102  5.84842      1.23985  1.7824   0.352252  2.25956  0.274358  
1 1 1 62 17 22 o 2.09455  0.210655  4.83245      0.882452 6.06725      1.26416  3.65893      1.2324   2.27023  0.278421  1.63781  0.382739  
1 1 1 62 17 23 o 0.707229 0.313196  0.198083     0.879273 0.304605     1.34963  0.119529     1.15899  0.817872 0.372533  0.758471 0.345408  
1 1 1 62 17 24 o 2.02746  0.244655  4.81332      0.992055 5.69895      1.46041  4.05449      1.35183  2.01295  0.376703  1.62903  0.413933  
1 1 1 62 17 25 o 0.708023 0.323357  0.234942     1.02963  0.440796     1.42835  0.0122625    1.48558  0.788281 0.368127  0.750947 0.35828   
1 1 1 62 17 26 o 2.11885  0.259471  5.71114      1.09956  6.15726      1.5369   5.24334      1.57378  1.90568  0.414796  1.6357   0.461218  
1 1 1 62 17 27 f 0.899477 0.360409  1.46806      0.98432  -0.243865    1.38202  3.23052      1.40228  0.672627 0.326486  1.17345  0.44086   
1 1 1 62 18 0  o 1.81344  0.277033  3.59019      0.934385 3.59019      0.934385 3.59019      0.934385 1.85801  0.181795  ?        ?         
1 1 1 62 18 1  o 0.634973 0.265557  0.119904     0.564842 0.593014     0.78291  -0.393681    0.815713 0.852811 0.326875  0.640538 0.291185  
1 1 1 62 18 2  o 2.91487  0.106472  8.56797      0.620705 9.10178      0.860373 7.98857      0.896351 2.99416  0.143675  2.80002  0.160061  
1 1 1 62 18 3  o 2.84831  0.105054  8.17962      0.598451 8.51313      0.847203 7.84746      0.845473 2.8948   0.146332  2.77754  0.152198  
1 1 1 62 18 4  o 1.19185  0.238556  1.52748      0.548565 1.49899      0.76475  1.55768      0.787319 1.16109  0.319461  1.18224  0.323638  
1 1 1 62 18 5  o 4.92783  0.0806364 24.4023      0.794724 25.8495      1.17411  23.1786      1.07964  5.05869  0.116049  4.79161  0.112659  
1 1 1 62 18 6  o 3.38911  0.0935156 11.5622      0.63387  11.1508      0.880491 12.0047      0.913263 3.31721  0.132716  3.44189  0.132669  
1 1 1 62 18 7  o 4.19703  0.10684   17.7685      0.89682  19.1601      1.29558  16.4882      1.24266  4.34044  0.149245  4.02408  0.154403  
1 1 1 62 18 8  o 1.79869  0.203949  3.33889      0.733682 4.01287      1.05031  2.69662      1.02531  1.94942  0.269391  1.54861  0.34028   
1 1 1 62 18 9  o 1.24812  0.301321  1.73398      0.744722 1.46387      1.03021  2.02962      1.07779  1.1505   0.382652  1.32618  0.384211  
1 1 1 62 18 10 o 1.17016  0.320295  1.54258      0.771189 2.13207      1.08826  0.947917     1.09301  1.35234  0.384243  1.01193  0.386698  
1 1 1 62 18 11 o 1.09784  0.319283  1.34917      0.742903 1.79506      1.04069  0.885842     1.06085  1.24701  0.381636  0.98896  0.380081  
1 1 1 62 18 12 o 1.10576  0.325422  1.38006      0.767316 3.05021      1.12174  -0.088644    1.05192  1.62701  0.35457   0.778477 0.343935  
1 1 1 62 18 13 o 2.58758  0.164428  6.88587      0.850944 6.63172      1.20335  7.14007      1.20348  2.50048  0.240623  2.60013  0.231428  
1 1 1 62 18 14 o 1.33673  0.301891  2.03695      0.788079 0.955177     1.09574  3.19619      1.13429  0.993525 0.38535   1.64896  0.354133  
1 1 1 62 18 15 o 0.743335 0.312459  0.247141     0.788498 -0.492112    1.17938  0.84466      1.06031  0.746545 0.343081  0.956131 0.377073  
1 1 1 62 18 16 o 0.951819 0.331615  0.996062     0.776441 0.979185     1.14393  1.01048      1.05729  0.996934 0.392137  0.991439 0.379903  
1 1 1 62 18 17 o 2.12736  0.195752  4.76916      0.832872 4.13699      1.14202  5.48744      1.2173   1.91803  0.297705  2.22866  0.273102  
1 1 1 62 18 18 o 1.46708  0.278671  2.4675       0.788108 1.96414      1.17282  2.88194      1.06419  1.2282   0.40828   1.53037  0.354384  
1 1 1 62 18 19 o 1.11947  0.33193   1.55142      0.795657 1.19025      1.14459  1.88914      1.10682  1.00735  0.3932    1.19214  0.396624  
1 1 1 62 18 20 o 0.770021 0.319646  0.440888     0.808991 -0.508907    1.17881  1.28647      1.11226  0.713665 0.333726  1.02079  0.390088  
1 1 1 62 18 21 o 1.6337   0.264129  3.07098      0.863014 2.15907      1.28072  3.82947      1.16802  1.20899  0.425446  1.72728  0.350321  
1 1 1 62 18 22 o 1.48007  0.312924  2.78766      0.897736 2.32336      1.28481  3.2306       1.2549   1.21137  0.426141  1.47367  0.410663  
1 1 1 62 18 23 o 0.609924 0.286855  -0.450271    0.908214 0.22614      1.376    -0.972427    1.20897  0.805407 0.370319  0.640324 0.309567  
1 1 1 62 18 24 o 1.01447  0.368885  1.6076       0.969843 2.05027      1.3842   1.18073      1.35927  1.05846  0.426029  0.904595 0.395723  
1 1 1 62 18 25 o 0.908212 0.366999  1.38457      1.03292  0.721256     1.41504  2.14116      1.51125  0.801492 0.371234  0.995771 0.426088  
1 1 1 62 18 26 o 0.563948 0.27353   -0.722276    0.966876 -1.67375     1.37959  0.196215     1.35547  0.588748 0.293262  0.730686 0.345957  
1 1 1 62 18 27 o 0.706928 0.322367  0.667531     1.01693  0.406788     1.38675  0.97087      1.49574  0.69423  0.334772  0.749175 0.357926  
1 1 1 62 19 0  o 2.59871  0.187925  6.94651      0.964985 6.94651      0.964985 6.94651      0.964985 2.61747  0.131095  ?        ?         
1 1 1 62 19 1  o 4.23388  0.0844823 18.0224      0.715376 18.8396      1.03045  17.2621      0.993926 4.31729  0.11934   4.13224  0.120265  
1 1 1 62 19 2  o 0.901136 0.282297  0.863486     0.564976 1.93302      0.759085 -0.464827    0.845946 1.32421  0.294338  0.641577 0.293046  
1 1 1 62 19 3  o 2.41998  0.119677  5.91993      0.579231 6.11165      0.790595 5.69777      0.851055 2.44805  0.161475  2.35801  0.180461  
1 1 1 62 19 4  o 2.98005  0.102266  8.95149      0.609518 9.18841      0.848633 8.69904      0.875996 3.00849  0.141039  2.92449  0.149769  
1 1 1 62 19 5  o 3.31181  0.0962444 11.0459      0.637486 12.1517      0.91448  10.0006      0.889136 3.46284  0.132042  3.1383   0.141659  
1 1 1 62 19 6  o 1.9145   0.161333  3.73886      0.617742 4.41326      0.812373 2.81428      0.951196 2.07023  0.196203  1.59779  0.308677  
1 1 1 62 19 7  o 4.12939  0.108418  17.2142      0.8954   16.8689      1.26793  17.5576      1.26465  4.06739  0.155866  4.15139  0.152316  
1 1 1 62 19 8  o 0.949401 0.326256  0.937002     0.749348 0.882357     1.05956  0.991683     1.05991  0.989712 0.380001  1.01845  0.383153  
1 1 1 62 19 9  o 1.98858  0.19275   4.0835       0.766599 4.7161       1.08134  3.44432      1.08695  2.11175  0.25603   1.75681  0.321303  
1 1 1 62 19 10 o 2.40212  0.171442  5.92172      0.823649 4.59457      1.175    7.20387      1.1549   2.0701   0.283802  2.62776  0.21975   
1 1 1 62 19 11 f 0.567322 0.266232  -0.684616    0.771239 -0.671814    1.10657  -0.696709    1.07548  0.708134 0.328106  0.693308 0.32209   
1 1 1 62 19 12 o 3.00646  0.142701  9.236        0.858052 10.0847      1.22604  8.4212       1.20128  3.11167  0.197006  2.83462  0.211894  
1 1 1 62 19 13 o 1.82089  0.217628  3.4974       0.792551 3.46204      1.15177  3.5292       1.09227  1.72361  0.346301  1.75615  0.323079  
1 1 1 62 19 14 o 0.664275 0.295807  -0.138321    0.797323 -0.590032    1.12349  0.320032     1.13172  0.714807 0.33097   0.861    0.368582  
1 1 1 62 19 15 o 0.826225 0.325541  0.577317     0.78962  1.27506      1.13729  -0.0720759   1.09717  1.06861  0.397903  0.779206 0.346993  
1 1 1 62 19 16 o 0.959136 0.33273   1.03313      0.780957 0.858372     1.09818  1.21194      1.11081  0.954391 0.381403  1.04135  0.392151  
1 1 1 62 19 17 o 1.19111  0.33124   1.71863      0.817268 1.43332      1.16788  1.99243      1.14407  1.08843  0.403629  1.24121  0.403244  
1 1 1 62 19 18 o 1.33512  0.306776  2.13488      0.802443 2.33952      1.20065  1.96968      1.07876  1.31406  0.411502  1.22303  0.391011  
1 1 1 62 19 19 o 0.560298 0.264645  -0.654718    0.788906 -0.640488    1.16868  -0.66663     1.06929  0.695901 0.32678   0.662005 0.311322  
1 1 1 62 19 20 o 0.895143 0.334561  0.927615     0.805515 1.22346      1.19965  0.684724     1.087    0.998647 0.398789  0.872598 0.366834  
1 1 1 62 19 21 o 0.757033 0.325066  0.401184     0.884978 0.90169      1.30482  -0.0251813   1.20431  0.915568 0.393974  0.758309 0.347732  
1 1 1 62 19 22 o 1.14649  0.353884  1.85334      0.892258 1.36779      1.25499  2.34963      1.26881  0.978651 0.401246  1.20262  0.423438  
1 1 1 62 19 23 o 1.2998   0.361138  2.43322      0.971897 2.56268      1.47166  2.33308      1.2943   1.18612  0.450033  1.17162  0.426133  
1 1 1 62 19 24 o 0.658663 0.306368  -0.0119236   0.97684  1.70445      1.39511  -1.66275     1.36821  0.953676 0.408775  0.59661  0.296463  
1 1 1 62 19 25 o 0.622221 0.296224  -0.287901    1.00598  0.236859     1.41473  -0.824602    1.43074  0.745    0.353067  0.656831 0.321818  
1 1 1 62 19 26 o 0.722169 0.326315  0.640616     1.00375  -0.370764    1.40067  1.70832      1.43914  0.654676 0.320212  0.867608 0.39145   
1 1 1 62 20 0  o 1.31901  0.390791  2.21737      0.895442 2.21737      0.895442 2.21737      0.895442 1.4165   0.245651  ?        ?         
1 1 1 62 20 1  o 1.60372  0.184157  2.63901      0.59067  2.64296      0.838545 2.63512      0.832159 1.55957  0.27891   1.58169  0.26306   
1 1 1 62 20 2  o 2.09095  0.13998   4.4381       0.585382 5.78894      0.819498 3.03072      0.836473 2.37894  0.17224   1.70168  0.245778  
1 1 1 62 20 3  o 4.36309  0.0849503 19.144       0.741292 19.0251      1.06837  19.2544      1.0294   4.3361   0.123195  4.36429  0.117935  
1 1 1 62 20 4  o 5.94943  0.08652   35.6086      1.02949  33.5397      1.57102  37.1657      1.3629   5.74839  0.136649  6.06569  0.112345  
1 1 1 62 20 5  o 2.29713  0.117919  5.33796      0.541753 6.24624      0.758748 4.39333      0.773782 2.47519  0.153271  2.06612  0.187255  
1 1 1 62 20 6  o 3.73761  0.111845  14.1221      0.836066 14.4449      1.18255  13.7995      1.1822   3.76049  0.157233  3.6737   0.160901  
1 1 1 62 20 7  o 1.30222  0.291173  1.88389      0.739152 1.57761      1.06355  2.17004      1.028    1.18137  0.388794  1.36898  0.367621  
1 1 1 62 20 8  o 3.60778  0.119834  13.1813      0.864669 12.2915      1.194    14.1626      1.25384  3.46057  0.172516  3.71674  0.168675  
1 1 1 62 20 9  o 2.63862  0.15155   7.113        0.799766 5.44582      1.11894  8.8543       1.14354  2.26964  0.246501  2.92347  0.19558   
1 1 1 62 20 10 o 0.675553 0.297057  -0.0666037   0.774129 0.824343     1.14207  -0.823887    1.05292  0.981506 0.389991  0.666384 0.312422  
1 1 1 62 20 11 o 1.39154  0.28763   2.17396      0.773285 2.40197      1.0843   1.93795      1.10312  1.41633  0.376299  1.26943  0.393819  
1 1 1 62 20 12 o 1.81845  0.208434  3.47569      0.758056 4.12573      1.09795  2.88356      1.0479   1.94207  0.282676  1.56935  0.343304  
1 1 1 62 20 13 o 2.27766  0.17374   5.38079      0.791441 5.25191      1.15987  5.49307      1.08265  2.19956  0.26366   2.2655   0.238942  
1 1 1 62 20 14 o 2.35676  0.175814  5.77525      0.828702 4.62412      1.18747  6.86815      1.15705  2.04175  0.290797  2.53689  0.228044  
1 1 1 62 20 15 o 1.02199  0.326525  1.21694      0.752372 0.978395     1.0794   1.44235      1.04927  0.979229 0.381917  1.09875  0.385242  
1 1 1 62 20 16 o 0.750957 0.314547  0.320749     0.794377 0.131308     1.09879  0.52818      1.14978  0.801217 0.353065  0.885157 0.374938  
1 1 1 62 20 17 o 1.11551  0.341029  1.54223      0.831305 2.63357      1.16925  0.426682     1.18215  1.41075  0.397467  0.861752 0.372952  
1 1 1 62 20 18 o 2.78662  0.159588  8.1346       0.889421 7.77918      1.24381  8.5065       1.27233  2.65718  0.234047  2.78471  0.22845   
1 1 1 62 20 19 o 1.03815  0.343619  1.3622       0.830755 1.81205      1.19804  0.945548     1.15298  1.14619  0.410659  0.94025  0.384896  
1 1 1 62 20 20 o 0.927425 0.350353  1.0756       0.88871  1.20723      1.25262  0.942187     1.26107  0.975209 0.400524  0.924791 0.392243  
1 1 1 62 20 21 o 0.532288 0.258947  -1.05126     0.87795  -2.47451     1.2464   0.350337     1.23688  0.543621 0.27181   0.80424  0.362878  
1 1 1 62 20 22 o 1.14596  0.359477  1.89597      0.915725 1.3304       1.27863  2.49152      1.31208  0.961663 0.400692  1.21557  0.430334  
1 1 1 62 20 23 o 0.810909 0.344325  0.851886     0.973557 1.46742      1.38066  0.243157     1.37301  0.928623 0.402488  0.762502 0.357356  
1 1 1 62 20 24 o 0.781676 0.341597  0.803201     1.0107   -0.787959    1.42836  2.39877      1.43034  0.656404 0.321595  1.04229  0.428021  
1 1 1 62 20 25 o 0.82887  0.353925  1.09112      1.03884  1.14824      1.37934  1.01626      1.57914  0.834697 0.379235  0.820843 0.384437  
1 1 1 62 21 0  o 0.74682  0.403403  0.872177     0.828462 0.872177     0.828462 0.872177     0.828462 0.755071 0.351512  ?        ?         
1 1 1 62 21 1  o 1.81519  0.168103  3.375        0.610277 3.34189      0.843246 3.41142      0.884345 1.78592  0.236081  1.80106  0.245506  
1 1 1 62 21 2  o 1.86425  0.154432  3.54761      0.575801 4.0495       0.799975 3.00808      0.829435 1.97755  0.202264  1.69082  0.245275  
1 1 1 62 21 3  o 1.11312  0.251406  1.35425      0.546511 2.98154      0.755889 -0.428086    0.791077 1.69025  0.223602  0.61989  0.283242  
1 1 1 62 21 4  o 3.79923  0.0869735 14.53        0.660865 14.2875      0.919513 14.789       0.950463 3.7553   0.122429  3.81982  0.124412  
1 1 1 62 21 5  o 1.65977  0.22005   2.87236      0.730463 3.04712      1.04917  2.70794      1.01761  1.64537  0.330459  1.54416  0.338743  
1 1 1 62 21 6  f 3.58656  0.114572  13.0135      0.821838 12.1963      1.15667  13.8467      1.16792  3.44935  0.167665  3.68003  0.158684  
1 1 1 62 21 7  o 0.968739 0.322207  1.01024      0.730445 -0.0191206   1.06109  1.93741      1.00704  0.794074 0.348486  1.28943  0.370681  
1 1 1 62 21 8  o 3.94528  0.112296  15.7632      0.88608  13.8405      1.23267  17.819       1.27459  3.66878  0.167995  4.17279  0.152726  
1 1 1 62 21 9  o 2.58778  0.152577  6.8635       0.789671 6.86356      1.14279  6.86344      1.09244  2.55233  0.223872  2.55819  0.213518  
1 1 1 62 21 10 o 0.900176 0.330255  0.812572     0.778859 0.0140879    1.11598  1.57084      1.08751  0.806907 0.355663  1.15758  0.39315   
1 1 1 62 21 11 o 1.80637  0.210769  3.43729      0.761454 3.28723      1.09704  3.57679      1.05775  1.6808   0.33823   1.80049  0.29374   
1 1 1 62 21 12 o 1.05037  0.320273  1.27281      0.733835 2.86632      1.08009  -0.0934417   1.00011  1.55146  0.355525  0.74634  0.331854  
1 1 1 62 21 13 o 3.34739  0.131521  11.4572      0.880507 10.1076      1.32928  12.5124      1.17533  3.08715  0.215292  3.47292  0.169214  
1 1 1 62 21 14 o 0.625687 0.282844  -0.223893    0.754954 -0.586498    1.08406  0.117575     1.05199  0.694363 0.322885  0.792372 0.347369  
1 1 1 62 21 15 o 2.45957  0.167203  6.31049      0.822495 5.97011      1.17324  6.63944      1.15338  2.33213  0.251539  2.47507  0.232999  
1 1 1 62 21 16 o 1.1664   0.331191  1.67387      0.808756 1.63172      1.15785  1.71403      1.13016  1.12472  0.403638  1.14735  0.40005   
1 1 1 62 21 17 o 1.23966  0.324897  1.90218      0.815279 0.196137     1.17376  3.49251      1.13326  0.813969 0.360986  1.67066  0.350374  
1 1 1 62 21 18 o 0.546657 0.261965  -0.841514    0.816765 0.644685     1.15916  -2.30697     1.15104  0.882865 0.375322  0.541105 0.269299  
1 1 1 62 21 19 o 1.06129  0.347861  1.49185      0.851393 0.578727     1.20928  2.38935      1.19889  0.858495 0.374422  1.27376  0.412709  
1 1 1 62 21 20 o 1.11107  0.358195  1.73138      0.903906 0.318176     1.30585  3.03137      1.25245  0.815054 0.36996   1.40903  0.416102  
1 1 1 62 21 21 o 0.548872 0.264739  -0.839503    0.868474 -0.625193    1.20067  -1.07467     1.25774  0.671804 0.320895  0.643255 0.311988  
1 1 1 62 21 22 o 0.984941 0.360847  1.48835      0.929551 0.288087     1.29492  2.7644       1.33517  0.771555 0.35651   1.22738  0.434146  
1 1 1 62 21 23 o 1.62881  0.312849  3.68263      0.98278  3.09504      1.40219  4.25001      1.37786  1.2164   0.443428  1.53169  0.431446  
1 1 1 62 21 24 o 0.740864 0.331448  0.547175     1.01145  -0.5154      1.41852  1.64611      1.44259  0.679052 0.329969  0.92219  0.405511  
1 1 1 62 21 25 o 0.473876 0.238441  -1.72993     1.00475  -2.049       1.44203  -1.42888     1.40071  0.547659 0.276464  0.571661 0.28583   
1 1 1 62 22 0  o 0.891414 0.421284  1.2475       0.84345  1.2475       0.84345  1.2475       0.84345  0.956079 0.342279  ?        ?         
1 1 1 62 22 1  o 1.9921   0.154763  4.05253      0.616609 4.17075      0.835338 3.911        0.913995 2.00399  0.208419  1.93021  0.236761  
1 1 1 62 22 2  o 1.40765  0.206843  2.05692      0.582324 1.16923      0.797986 3.06813      0.851696 1.03355  0.336774  1.70476  0.2498    
1 1 1 62 22 3  o 3.54165  0.0956178 12.6476      0.67729  14.5589      0.965806 10.7981      0.950054 3.78768  0.127493  3.25462  0.145955  
1 1 1 62 22 4  o 2.66907  0.130037  7.23697      0.694157 6.65973      0.946042 7.91022      1.02169  2.53969  0.186252  2.76869  0.184508  
1 1 1 62 22 5  o 0.591629 0.269763  -0.363633    0.711736 -1.07477     1.02423  0.300415     0.989745 0.626632 0.298597  0.830875 0.349701  
1 1 1 62 22 6  o 2.48202  0.155191  6.31252      0.770374 7.21224      1.08883  5.41067      1.09012  2.62874  0.207101  2.26009  0.241167  
1 1 1 62 22 7  o 1.38243  0.270534  2.11657      0.721315 2.43583      1.06288  1.844        0.982092 1.43341  0.368714  1.25035  0.368217  
1 1 1 62 22 8  o 2.82419  0.143056  8.16034      0.808036 8.82753      1.16895  7.54981      1.11821  2.90514  0.201186  2.68236  0.208437  
1 1 1 62 22 9  o 1.83217  0.21206   3.53479      0.777057 3.26281      1.11409  3.79245      1.08437  1.67109  0.345106  1.85641  0.292059  
1 1 1 62 22 10 o 2.30872  0.174501  5.52912      0.805747 4.49604      1.17364  6.45017      1.10817  2.01876  0.290684  2.46478  0.224802  
1 1 1 62 22 11 o 1.11904  0.318989  1.45856      0.74884  1.09887      1.09683  1.77261      1.02487  1.02135  0.388224  1.20893  0.380509  
1 1 1 62 22 12 o 1.21917  0.310821  1.73552      0.760336 1.9495       1.14967  1.56916      1.01368  1.24932  0.404086  1.14112  0.379569  
1 1 1 62 22 13 o 1.38148  0.289519  2.1962       0.774253 2.38752      1.1654   2.04503      1.03592  1.36805  0.400549  1.28061  0.378507  
1 1 1 62 22 14 o 1.74796  0.224151  3.29449      0.78361  4.29154      1.13371  2.3824       1.08432  1.94676  0.291178  1.36764  0.381934  
1 1 1 62 22 15 o 2.00754  0.199477  4.30561      0.800916 4.38204      1.14001  4.23112      1.12546  1.95467  0.291611  1.91939  0.293182  
1 1 1 62 22 16 o 1.08321  0.341031  1.47188      0.823166 1.48305      1.15133  1.4602       1.17737  1.0752   0.400352  1.06973  0.403508  
1 1 1 62 22 17 o 1.52563  0.289011  2.75564      0.849829 2.15299      1.17136  3.42535      1.23483  1.24601  0.408025  1.60608  0.388169  
1 1 1 62 22 18 o 0.60692  0.283314  -0.417434    0.844906 1.11309      1.20734  -1.88634     1.18279  0.960783 0.393677  0.573344 0.282977  
1 1 1 62 22 19 o 0.771696 0.324306  0.524338     0.8491   0.934081     1.2082   0.124475     1.19355  0.904196 0.383742  0.770769 0.350878  
1 1 1 62 22 20 o 0.884945 0.347192  1.00207      0.894756 0.0333744    1.24393  2.04057      1.28797  0.758776 0.350153  1.12045  0.422201  
1 1 1 62 22 21 o 1.1403   0.346304  1.87428      0.859115 1.65325      1.22737  2.08659      1.20294  1.01135  0.403524  1.11648  0.410353  
1 1 1 62 22 22 o 0.649342 0.303304  -0.0608772   0.970221 -0.805763    1.31936  0.81627      1.43171  0.645957 0.314896  0.8237   0.378315  
1 1 1 62 22 23 o 0.683182 0.316076  0.164531     1.02203  -0.594757    1.60321  0.684351     1.32652  0.69852  0.341873  0.7871   0.362602  
1 1 1 62 22 24 o 0.694621 0.317942  0.417679     1.00166  1.75948      1.51815  -0.616724    1.33296  0.880692 0.399448  0.633547 0.310472  
1 1 1 62 23 0  o 1.84338  0.246899  3.67431      0.873885 3.67431      0.873885 3.67431      0.873885 1.88231  0.167174  ?        ?         
1 1 1 62 23 1  o 1.52817  0.210222  2.44036      0.642508 2.95853      0.870171 1.81923      0.952717 1.66348  0.261552  1.24839  0.361086  
1 1 1 62 23 2  o 1.32345  0.240415  1.90357      0.612878 2.5451       0.817815 1.08171      0.92565  1.51649  0.280177  1.01114  0.361098  
1 1 1 62 23 3  o 4.62785  0.0902329 21.5993      0.835167 22.479       1.10593  20.432       1.27404  4.70748  0.117466  4.47316  0.142409  
1 1 1 62 23 4  o 2.01232  0.156507  4.15572      0.629886 5.08972      0.794853 2.57906      1.03272  2.21825  0.179162  1.48462  0.352583  
1 1 1 62 23 5  o 0.941218 0.318552  0.95942      0.713967 1.64776      1.01457  0.284136     1.0049   1.18275  0.379307  0.824855 0.350015  
1 1 1 62 23 6  o 1.80341  0.201102  3.40263      0.725339 3.39237      1.06219  3.4116       0.992879 1.72398  0.320054  1.76887  0.280653  
1 1 1 62 23 7  o 3.11297  0.131362  9.88817      0.817849 10.8996      1.18111  8.95647      1.13358  3.23853  0.182352  2.92871  0.193529  
1 1 1 62 23 8  o 1.01252  0.326917  1.16623      0.752733 0.954448     1.07527  1.36976      1.0541   0.985289 0.38182   1.09252  0.385821  
1 1 1 62 23 9  o 2.49023  0.154976  6.38679      0.771852 5.44433      1.11136  7.26497      1.07279  2.2493   0.247046  2.62797  0.204109  
1 1 1 62 23 10 o 1.93578  0.206967  3.9543       0.801288 3.65438      1.16487  4.22368      1.10396  1.76316  0.342562  1.95683  0.282079  
1 1 1 62 23 11 o 2.55658  0.162095  6.76956      0.828817 5.11276      1.25053  8.06746      1.10683  2.1399   0.292194  2.76576  0.200095  
1 1 1 62 23 12 o 1.16071  0.322509  1.60789      0.775084 1.62712      1.15121  1.59195      1.04828  1.14545  0.403334  1.13678  0.385993  
1 1 1 62 23 13 o 1.2552   0.308138  1.87321      0.768873 0.921137     1.12296  2.71342      1.05493  0.958532 0.384588  1.47713  0.359894  
1 1 1 62 23 14 o 2.40633  0.176128  6.10367      0.847642 5.87246      1.18528  6.34569      1.21269  2.2928   0.258478  2.38775  0.253939  
1 1 1 62 23 15 f 1.21977  0.334641  1.86346      0.840637 1.82458      1.16982  1.90497      1.20882  1.163    0.406865  1.18161  0.413571  
1 1 1 62 23 16 o 0.741769 0.31816   0.281676     0.84614  -0.403574    1.1615   1.05657      1.23514  0.720265 0.334656  0.974798 0.398594  
1 1 1 62 23 17 o 2.01484  0.225313  4.51939      0.90794  4.15523      1.23597  4.94625      1.33815  1.78566  0.358707  1.95608  0.355142  
1 1 1 62 23 18 o 0.579767 0.273886  -0.565013    0.845274 -0.337035    1.15299  -0.829916    1.24286  0.701761 0.328635  0.671574 0.322146  
1 1 1 62 23 19 o 1.99761  0.226437  4.55209      0.904669 5.2315       1.31448  3.94066      1.24698  2.01344  0.326427  1.6642   0.382445  
1 1 1 62 23 20 o 0.670813 0.3018    0.0915042    0.849401 1.27507      1.2295   -0.989154    1.17483  0.945175 0.393313  0.624706 0.30256   
1 1 1 62 23 21 o 0.826308 0.341588  0.947547     0.917875 1.47444      1.27121  0.373647     1.32671  0.927621 0.393649  0.767661 0.357058  
1 1 1 62 23 22 o 0.723644 0.326215  0.478244     0.997312 0.351877     1.38745  0.613338     1.43456  0.749906 0.353231  0.781543 0.3661    
1 1 1 62 23 23 f 0.74799  0.335012  0.64631      1.03589  0.788759     1.61011  0.545708     1.3531   0.798508 0.377591  0.758723 0.355436  
1 1 1 62 24 0  o 1.38049  0.378     2.40146      0.900932 2.40146      0.900932 2.40146      0.900932 1.47869  0.232651  ?        ?         
1 1 1 62 24 1  o 1.06095  0.288111  1.2745       0.627045 0.964025     0.814175 1.72713      0.983061 0.953177 0.338832  1.20593  0.371297  
1 1 1 62 24 2  o 3.36622  0.104544  11.4736      0.703835 11.5892      0.942143 11.3275      1.05878  3.36658  0.139926  3.31737  0.159581  
1 1 1 62 24 3  o 0.910152 0.288629  0.913924     0.588676 1.08501      0.72844  0.591853     0.999448 0.984975 0.321765  0.887106 0.359959  
1 1 1 62 24 4  f 2.50177  0.151408  6.42864      0.757574 7.28259      1.09035  5.63166      1.05335  2.63276  0.207074  2.30302  0.228689  
1 1 1 62 24 5  o 1.24219  0.30264   1.77403      0.746    2.29663      1.09484  1.32114      1.01922  1.37214  0.383975  1.07715  0.379486  
1 1 1 62 24 6  o 1.66086  0.222995  2.92709      0.740726 2.90705      1.05858  2.94632      1.03685  1.57001  0.34642   1.58707  0.336849  
1 1 1 62 24 7  o 2.9119   0.141554  8.69123      0.824382 6.88058      1.16923  10.4811      1.1625   2.54037  0.23013   3.17158  0.183269  
1 1 1 62 24 8  o 2.28304  0.173929  5.4145       0.794176 4.63771      1.16352  6.09209      1.08668  2.04989  0.2838    2.39     0.22734   
1 1 1 62 24 9  o 1.66053  0.227194  2.94743      0.754524 0.878229     1.08802  4.86447      1.04726  0.960836 0.381006  2.12053  0.246933  
1 1 1 62 24 10 o 0.784397 0.317972  0.454799     0.77882  0.647071     1.1662   0.300013     1.04636  0.920153 0.382987  0.823568 0.353544  
1 1 1 62 24 11 o 2.10188  0.19279   4.66767      0.810443 4.68139      1.21244  4.65658      1.08964  2.03067  0.298533  2.05088  0.265653  
1 1 1 62 24 12 o 0.827556 0.321421  0.656028     0.76288  1.26892      1.11868  0.123225     1.04304  1.03691  0.392676  0.779502 0.343679  
1 1 1 62 24 13 o 0.630222 0.287068  -0.247187    0.801516 -0.366041    1.11628  -0.1207      1.15157  0.718385 0.331585  0.762702 0.346522  
1 1 1 62 24 14 o 0.440935 0.220467  -2.04692     0.828414 -1.77489     1.13635  -2.35548     1.21025  0.576481 0.283836  0.559189 0.277999  
1 1 1 62 24 15 o 1.2841   0.328393  2.06208      0.846774 2.68742      1.18797  1.41622      1.20731  1.39873  0.402768  1.05033  0.405088  
1 1 1 62 24 16 o 0.740507 0.320799  0.291397     0.8763   0.204074     1.14727  0.413688     1.35768  0.788485 0.35287   0.859555 0.384293  
1 1 1 62 24 17 o 1.79514  0.244791  3.70921      0.878868 3.6917       1.19458  3.72986      1.29761  1.63947  0.372666  1.60369  0.404387  
1 1 1 62 24 18 o 0.81961  0.331577  0.758243     0.844509 0.891924     1.21744  0.634259     1.17246  0.8862   0.380924  0.837064 0.366842  
1 1 1 62 24 19 o 1.26878  0.339148  2.22292      0.877439 2.40515      1.21484  2.02418      1.26868  1.21427  0.415529  1.10641  0.418415  
1 1 1 62 24 20 o 1.32884  0.340364  2.57929      0.908582 2.56771      1.30456  2.59019      1.26616  1.1602   0.427246  1.17818  0.422167  
1 1 1 62 24 21 o 0.642374 0.297805  0.0280706    0.91328  1.81849      1.31034  -1.66332     1.27359  0.95976  0.403085  0.568198 0.282851  
1 1 1 62 24 22 o 0.583693 0.282483  -0.650691    1.01677  -2.93882     1.59321  0.921598     1.32068  0.567311 0.286811  0.81355  0.370015  
1 1 1 62 24 23 o 0.791689 0.344834  1.17594      1.02292  0.730506     1.49718  1.5659       1.40086  0.727583 0.350116  0.816245 0.374608  
1 1 1 62 25 0  o 3.2931   0.150166  11.0606      0.984341 11.0606      0.984341 11.0606      0.984341 3.30957  0.105397  ?        ?         
1 1 1 62 25 1  o 2.20108  0.147579  4.97433      0.649665 4.93661      0.850385 5.0272       1.00683  2.17146  0.19581   2.17183  0.231793  
1 1 1 62 25 2  f 0.990169 0.286001  1.11079      0.598096 0.84126      0.776154 1.50482      0.938439 0.904486 0.329891  1.12919  0.365066  
1 1 1 62 25 3  o 3.23725  0.108378  10.6324      0.701694 11.4779      0.87921  9.14883      1.16458  3.35239  0.131132  2.95444  0.197089  
1 1 1 62 25 4  o 2.9011   0.139649  8.62153      0.81027  9.10841      1.14957  8.14082      1.14226  2.9487   0.194928  2.78074  0.205388  
1 1 1 62 25 5  o 1.65583  0.224244  2.9166       0.74262  3.67902      1.10035  2.27886      1.00638  1.78749  0.319301  1.37397  0.361376  
1 1 1 62 25 6  o 1.27798  0.298065  1.88153      0.748575 2.64849      1.09262  1.20307      1.02765  1.474    0.370706  1.03787  0.379491  
1 1 1 62 25 7  o 3.87924  0.115108  15.3162      0.89306  14.1594      1.3072   16.3287      1.22296  3.68555  0.177341  3.97799  0.153716  
1 1 1 62 25 8  o 1.12371  0.329596  1.50167      0.788408 1.28593      1.14833  1.69406      1.08437  1.06197  0.398954  1.1704   0.392582  
1 1 1 62 25 9  o 1.59673  0.238849  2.76721      0.762753 3.16146      1.11412  2.41941      1.04645  1.61106  0.355317  1.3937   0.369391  
1 1 1 62 25 10 o 0.622166 0.284554  -0.326911    0.800572 -0.396817    1.22377  -0.274613    1.05849  0.755195 0.348045  0.722368 0.329269  
1 1 1 62 25 11 o 1.7396   0.22913   3.29559      0.797191 3.34456      1.14616  3.24969      1.10953  1.63615  0.359998  1.61871  0.352527  
1 1 1 62 25 12 o 1.77421  0.226643  3.44309      0.804224 2.41724      1.11243  4.56627      1.16401  1.34771  0.3903    1.98685  0.292928  
1 1 1 62 25 13 o 1.43165  0.292361  2.4345       0.808167 2.19943      1.11671  2.69302      1.17107  1.27462  0.396399  1.41233  0.397732  
1 1 1 62 25 14 o 1.03688  0.346944  1.36109      0.846909 2.11465      1.17192  0.537334     1.22529  1.23139  0.408122  0.873417 0.378871  
1 1 1 62 25 15 o 0.838789 0.337948  0.732717     0.872231 2.63285      1.25287  -1.05439     1.21504  1.33164  0.420947  0.651362 0.313919  
1 1 1 62 25 16 o 1.09213  0.346712  1.62608      0.849272 1.55049      1.18231  1.70667      1.22071  1.03486  0.40051   1.06945  0.408669  
1 1 1 62 25 17 o 0.657162 0.298048  -0.0145377   0.845103 0.110147     1.13349  -0.170601    1.26812  0.748677 0.341119  0.739519 0.345942  
1 1 1 62 25 18 o 1.174    0.344908  1.93476      0.862685 1.84759      1.21815  2.02247      1.2219   1.07296  0.408755  1.11514  0.412994  
1 1 1 62 25 19 o 0.586522 0.277268  -0.378842    0.867626 0.576384     1.25854  -1.24401     1.19774  0.792942 0.360793  0.591864 0.291407  
1 1 1 62 25 20 o 0.577784 0.276864  -0.483043    0.911947 -1.64766     1.29848  0.650566     1.28107  0.576641 0.286852  0.78294  0.358867  
1 1 1 62 25 21 o 0.827965 0.340908  1.00871      0.90975  0.697068     1.29012  1.31696      1.28307  0.789644 0.361184  0.88035  0.384798  
1 1 1 62 25 22 o 0.698517 0.318782  0.524477     0.99865  1.14253      1.43722  -0.0524996   1.38864  0.788516 0.368638  0.672383 0.326649  
1 1 1 62 26 0  o 1.6041   0.318161  2.99062      0.906217 2.99062      0.906217 2.99062      0.906217 1.67588  0.197392  ?        ?         
1 1 1 62 26 1  o 1.61013  0.192767  2.71783      0.620763 2.62918      0.836255 2.82663      0.926438 1.5247   0.284812  1.56898  0.306159  
1 1 1 62 26 2  o 3.35504  0.10417   11.4163      0.698992 11.8891      0.920546 10.7725      1.07419  3.40741  0.13508   3.22383  0.166602  
1 1 1 62 26 3  o 0.833619 0.320572  0.640138     0.754926 0.265875     1.0497   1.04111      1.08651  0.82248  0.353628  0.999762 0.384557  
1 1 1 62 26 4  o 0.58036  0.266681  -0.381701    0.712381 -0.326232    1.05949  -0.42747     0.962409 0.724629 0.330064  0.67542  0.310196  
1 1 1 62 26 5  o 1.53808  0.232721  2.5438       0.715889 3.00617      1.08132  2.18299      0.955204 1.58078  0.351246  1.34135  0.351732  
1 1 1 62 26 6  o 0.543573 0.255087  -0.581515    0.708035 -1.28156     1.04209  0.0187545    0.964976 0.597671 0.288681  0.746495 0.32966   
1 1 1 62 26 7  o 0.796725 0.31516   0.546729     0.742778 0.381322     1.08188  0.69422      1.02161  0.843767 0.360762  0.89559  0.36374   
1 1 1 62 26 8  o 2.63127  0.156112  7.18903      0.821545 6.82543      1.18037  7.53065      1.14416  2.50504  0.235599  2.64834  0.216014  
1 1 1 62 26 9  o 2.4938   0.167035  6.50744      0.833104 7.01231      1.2222   6.06926      1.13861  2.52717  0.241811  2.35079  0.242177  
1 1 1 62 26 10 o 1.89932  0.221429  3.92392      0.841127 2.9845       1.17518  4.9107       1.20443  1.50902  0.387433  2.06388  0.291787  
1 1 1 62 26 11 o 1.73225  0.236315  3.31206      0.818715 3.6303       1.18033  3.01697      1.13659  1.69534  0.359087  1.52499  0.374814  
1 1 1 62 26 12 o 0.573584 0.26916   -0.549952    0.788014 -0.796203    1.08698  -0.27717     1.14404  0.651326 0.309054  0.733309 0.337378  
1 1 1 62 26 13 o 1.69023  0.255929  3.24008      0.86516  3.24007      1.19801  3.24009      1.25073  1.55169  0.386925  1.53342  0.402659  
1 1 1 62 26 14 o 0.861742 0.338568  0.840644     0.851821 0.939215     1.13662  0.714345     1.28658  0.915167 0.379328  0.890799 0.387348  
1 1 1 62 26 15 o 0.653136 0.296672  -0.066133    0.842977 -0.00673406  1.15552  -0.133711    1.2325   0.744727 0.341132  0.744912 0.345578  
1 1 1 62 26 16 o 1.65854  0.265615  3.28215      0.881068 2.91322      1.19413  3.72296      1.30531  1.38335  0.405595  1.57254  0.410623  
1 1 1 62 26 17 o 0.950798 0.349544  1.25791      0.872881 0.89827      1.24729  1.6031       1.22198  0.880409 0.382086  1.01708  0.403631  
1 1 1 62 26 18 o 0.492312 0.242486  -1.1783      0.841987 -1.72304     1.21674  -0.677728    1.16636  0.563426 0.279918  0.63339  0.305824  
1 1 1 62 26 19 o 0.855864 0.343227  1.11354      0.893788 2.146        1.31514  0.227374     1.21841  1.03288  0.415458  0.72496  0.339116  
1 1 1 62 26 20 o 0.995918 0.366067  1.68486      0.957319 2.69529      1.40151  0.80107      1.31075  1.11925  0.435463  0.80357  0.366316  
1 1 1 62 26 21 o 1.11536  0.364881  2.20269      0.936741 3.345        1.37114  1.20286      1.28278  1.20359  0.438518  0.817757 0.369232  
1 1 1 62 27 0  o 2.6678   0.181254  7.38019      0.95685  7.38019      0.95685  7.38019      0.95685  2.69261  0.126272  ?        ?         
1 1 1 62 27 1  o 1.74289  0.185126  3.18822      0.645308 3.96988      0.88217  2.28855      0.94642  1.92072  0.229646  1.37493  0.344546  
1 1 1 62 27 2  o 2.27604  0.181232  5.42905      0.824981 4.70414      1.16565  6.15658      1.16775  2.05166  0.284077  2.37907  0.245421  
1 1 1 62 27 3  o 1.04991  0.324145  1.30674      0.748538 0.471929     1.09076  2.04986      1.02912  0.864849 0.365704  1.27874  0.377042  
1 1 1 62 27 4  o 0.64288  0.283853  -0.0392119   0.715017 -0.968668    1.10408  0.632202     0.938383 0.650996 0.310117  0.863521 0.349446  
1 1 1 62 27 5  o 0.531809 0.250943  -0.642592    0.706235 -0.789745    1.09373  -0.537364    0.924897 0.666341 0.313797  0.638718 0.297485  
1 1 1 62 27 6  o 1.52791  0.243629  2.5572       0.744488 2.0806       1.08056  2.98789      1.02719  1.26829  0.389027  1.56959  0.336926  
1 1 1 62 27 7  o 0.703213 0.300368  0.201234     0.748654 -0.0814791   1.09485  0.449519     1.02602  0.757371 0.341587  0.833287 0.353637  
1 1 1 62 27 8  o 0.666169 0.297331  -0.0630376   0.809691 1.08403      1.16784  -1.12482     1.12359  0.985846 0.393533  0.632319 0.304037  
1 1 1 62 27 9  o 1.73461  0.236147  3.31853      0.819246 1.91815      1.12253  4.91451      1.19836  1.19471  0.39943   2.0624   0.290525  
1 1 1 62 27 10 o 2.30154  0.187155  5.64901      0.861491 7.10661      1.22024  4.20051      1.21643  2.53078  0.241081  1.84182  0.343017  
1 1 1 62 27 11 o 0.67475  0.302136  -0.049102    0.842103 0.558176     1.15012  -0.750879    1.23637  0.865129 0.370998  0.700115 0.330976  
1 1 1 62 27 12 o 0.669497 0.29866   0.00396811   0.815992 0.0941464    1.13687  -0.0918528   1.1719   0.773273 0.348456  0.755096 0.344904  
1 1 1 62 27 13 o 0.620019 0.285609  -0.257379    0.822795 -0.928257    1.14546  0.457759     1.18264  0.639897 0.307511  0.828682 0.365583  
1 1 1 62 27 14 o 0.537778 0.260218  -0.951122    0.861423 -0.413876    1.19046  -1.54161     1.24805  0.69901  0.328655  0.608857 0.299028  
1 1 1 62 27 15 f 1.76431  0.250674  3.65075      0.884535 3.19303      1.23757  4.12876      1.26471  1.4468   0.409332  1.7086   0.380049  
1 1 1 62 27 16 o 1.24137  0.342249  2.14359      0.876649 2.48142      1.28363  1.8483       1.20012  1.21588  0.426118  1.07463  0.406789  
1 1 1 62 27 17 o 0.970285 0.352856  1.45874      0.887416 -0.16085     1.25167  3.09569      1.25835  0.703195 0.332707  1.32402  0.422206  
1 1 1 62 27 18 o 1.7178   0.264918  3.75347      0.910154 3.51673      1.29384  3.98538      1.28057  1.3811   0.426112  1.52448  0.410721  
1 1 1 62 27 19 o 0.934398 0.354168  1.43498      0.910699 0.131779     1.32341  2.60722      1.25515  0.72426  0.342408  1.1465   0.419379  
1 1 1 62 27 20 f 0.594007 0.281607  -0.222042    0.900704 -0.361661    1.25168  -0.0721029   1.29711  0.646812 0.313098  0.680466 0.327062  
1 1 1 62 28 0  o 1.48677  0.447136  3.00202      1.1568   3.00202      1.1568   3.00202      1.1568   1.62824  0.274668  ?        ?         
1 1 1 62 28 1  o 0.763644 0.30723   0.464344     0.719413 0.100449     1.13621  0.707857     0.929461 0.801344 0.355304  0.874525 0.350301  
1 1 1 62 28 2  o 1.00851  0.335899  1.21396      0.793845 0.516073     1.15114  1.84685      1.09621  0.876671 0.373393  1.1943   0.394719  
1 1 1 62 28 3  o 0.648498 0.287056  -0.0361217   0.737501 1.8395       1.16776  -1.2806      0.951206 1.18451  0.407258  0.557917 0.270823  
1 1 1 62 28 4  o 3.24931  0.128634  10.8556      0.835945 9.7886       1.30709  11.5941      1.0874   3.00938  0.21717   3.32976  0.163285  
1 1 1 62 28 5  o 1.41399  0.284758  2.33778      0.777018 1.70809      1.20691  2.78354      1.01546  1.1388   0.411762  1.4956   0.346074  
1 1 1 62 28 6  o 1.13889  0.341457  1.62822      0.838835 2.50255      1.24383  0.898833     1.13606  1.34551  0.418336  0.939194 0.382862  
1 1 1 62 28 7  o 1.79594  0.245479  3.58624      0.881734 1.82578      1.28983  5.13067      1.2081   1.1577   0.424972  2.11089  0.286159  
1 1 1 62 28 8  o 3.73792  0.133381  14.4435      0.997131 11.3826      1.37745  17.8133      1.4453   3.23857  0.212664  4.10229  0.176158  
1 1 1 62 28 9  o 1.53016  0.286282  2.76342      0.843659 1.11005      1.16848  4.56393      1.21937  0.980367 0.392739  1.96024  0.311026  
1 1 1 62 28 10 o 1.38803  0.316724  2.38738      0.860167 2.86921      1.18105  1.84309      1.25526  1.44265  0.397032  1.1414   0.419215  
1 1 1 62 28 11 o 1.12268  0.350036  1.68148      0.870021 1.74044      1.28965  1.63224      1.17862  1.09455  0.41953   1.07529  0.404138  
1 1 1 62 28 12 o 0.656831 0.299061  -0.104285    0.867863 -0.197347    1.27018  -0.0227993   1.18856  0.74845  0.348603  0.752992 0.34536   
1 1 1 62 28 13 f 0.771925 0.321855  0.563927     0.825856 -0.587025    1.21498  1.5524       1.12596  0.683353 0.325431  1.02701  0.392478  
1 1 1 62 28 14 f 0.747246 0.317577  0.470046     0.829496 -0.0651646   1.17467  1.00238      1.17151  0.731702 0.338652  0.901022 0.379901  
1 1 1 62 28 15 o 0.635835 0.2892    -0.0422665   0.806968 -1.19375     1.12199  1.1917       1.16148  0.592291 0.289031  0.928189 0.384012  
1 1 1 62 28 16 o 1.23943  0.33619   2.24022      0.854394 1.63118      1.22326  2.82036      1.19387  0.970077 0.39667   1.27187  0.41182   
1 1 1 62 28 17 o 0.686624 0.310225  0.294517     0.906995 -0.113194    1.27964  0.70613      1.28575  0.696869 0.332489  0.793421 0.36199   
1 1 1 62 28 18 o 1.20045  0.350753  2.26164      0.894542 1.17756      1.26047  3.36172      1.26973  0.855498 0.377415  1.3388   0.423827  
1 1 1 62 28 19 o 1.69896  0.271919  3.81073      0.92396  4.82878      1.30045  2.77295      1.31299  1.69627  0.391065  1.12682  0.425799  
1 1 1 62 29 0  o 0.802802 0.454327  1.14201      1.1074   1.14201      1.1074   1.14201      1.1074   0.823444 0.403866  ?        ?         
1 1 1 62 29 1  o 1.50367  0.279337  2.63314      0.808623 2.70935      1.13124  2.55351      1.1563   1.43365  0.385935  1.37935  0.397423  
1 1 1 62 29 2  o 0.727119 0.314884  0.195825     0.843701 1.09369      1.1648   -0.795199    1.22373  0.9846   0.393024  0.69665  0.32931   
1 1 1 62 29 3  o 2.49845  0.161342  6.54244      0.806209 5.53864      1.21648  7.32864      1.07659  2.20386  0.27599   2.60667  0.206507  
1 1 1 62 29 4  f 1.92992  0.232052  4.09893      0.895684 4.2924       1.30791  3.92807      1.22913  1.83772  0.368843  1.76396  0.360857  
1 1 1 62 29 5  o 1.01261  0.34293   1.27023      0.827425 1.53779      1.27269  1.07434      1.08898  1.08631  0.41665   0.969537 0.382208  
1 1 1 62 29 6  o 2.34429  0.186824  5.86368      0.87594  6.45155      1.31373  5.39316      1.17533  2.37194  0.276931  2.17542  0.270138  
1 1 1 62 29 7  o 2.531    0.177585  6.80028      0.898938 6.59839      1.27013  7.00292      1.27245  2.41027  0.263483  2.4922   0.255287  
1 1 1 62 29 8  o 0.663658 0.299129  -0.0810278   0.838252 -0.375494    1.22049  0.181904     1.15329  0.733571 0.341689  0.794467 0.354717  
1 1 1 62 29 9  o 0.781597 0.328669  0.489977     0.872983 -0.0236251   1.20028  1.06679      1.272    0.766442 0.3497    0.956172 0.399108  
1 1 1 62 29 10 o 2.69687  0.175778  7.81643      0.948099 6.49978      1.34008  9.13597      1.34155  2.32744  0.287888  2.83739  0.236405  
1 1 1 62 29 11 o 1.28463  0.33638   2.20616      0.874424 1.91694      1.29511  2.44845      1.1854   1.10667  0.421507  1.26477  0.41044   
1 1 1 62 29 12 o 2.49061  0.178742  6.74365      0.890355 7.4149       1.27656  6.10779      1.24244  2.5123   0.254062  2.25005  0.276092  
1 1 1 62 29 13 f 0.625239 0.285672  -0.118461    0.804598 -0.956       1.15594  0.668692     1.12063  0.626284 0.302765  0.831602 0.361555  
1 1 1 62 29 14 o 1.21749  0.335147  2.06858      0.841437 1.18844      1.16512  3.02802      1.21648  0.918747 0.382632  1.3745   0.411015  
1 1 1 62 29 15 o 1.79582  0.250289  3.95817      0.898949 3.26764      1.30695  4.57819      1.23843  1.33774  0.430656  1.75718  0.364598  
1 1 1 62 29 16 o 0.778206 0.329091  0.79062      0.883385 0.930525     1.25335  0.652511     1.24528  0.820544 0.367979  0.781152 0.356353  
1 1 1 62 29 17 o 0.714511 0.313686  0.501991     0.8604   0.308615     1.18713  0.715973     1.24879  0.727672 0.338186  0.787337 0.35855   
1 1 1 62 29 18 o 0.778424 0.330214  0.86853      0.893987 -0.717127    1.24228  2.57177      1.28751  0.618843 0.302424  1.0904   0.418822  
1 1 1 62 29 19 o 0.99759  0.356881  1.91687      0.904506 2.38591      1.26146  1.42054      1.29764  0.971097 0.400886  0.805322 0.366407  
1 1 1 62 30 0  o 0.590634 0.38836   0.181731     1.11591  0.181731     1.11591  0.181731     1.11591  0.52039  0.336039  ?        ?         
1 1 1 62 30 1  f 1.19497  0.344694  1.8214       0.869341 1.56187      1.18397  2.12502      1.28058  1.08886  0.405878  1.22598  0.425996  
1 1 1 62 30 2  o 5.11907  0.122318  26.9623      1.25231  26.882       1.69626  27.0585      1.85666  5.0491   0.167976  5.03934  0.184217  
1 1 1 62 30 3  o 3.99011  0.135693  16.4911      1.08286  16.5121      1.48195  16.467       1.58614  3.92977  0.188554  3.90415  0.203136  
1 1 1 62 30 4  o 2.1799   0.216363  5.19146      0.943301 6.78162      1.29285  3.38122      1.37941  2.44     0.264927  1.54021  0.430994  
1 1 1 62 30 5  o 2.62313  0.185446  7.36839      0.972898 10.2322      1.35045  4.27813      1.40282  3.0481   0.221523  1.77091  0.404736  
1 1 1 62 30 6  o 1.45542  0.306486  2.60571      0.864108 1.38918      1.14904  4.1893       1.31098  1.02479  0.395202  1.76948  0.381331  
1 1 1 62 30 7  o 1.20204  0.328448  1.86963      0.811818 2.77231      1.14527  0.958016     1.15092  1.40181  0.392861  0.92132  0.381782  
1 1 1 62 30 8  o 0.577719 0.272581  -0.564134    0.832898 0.47099      1.16503  -1.64627     1.19119  0.825441 0.36367   0.589055 0.290162  
1 1 1 62 30 9  o 2.0602   0.210983  4.72963      0.869334 3.93217      1.20806  5.58611      1.25196  1.69879  0.366021  2.14119  0.292353  
1 1 1 62 30 10 o 0.601219 0.281614  -0.382285    0.848393 0.116083     1.22752  -0.838062    1.1739   0.769338 0.352069  0.646451 0.310817  
1 1 1 62 30 11 o 0.845584 0.336434  0.861253     0.850976 -0.464463    1.26645  1.95252      1.14902  0.705127 0.334115  1.1199   0.402077  
1 1 1 62 30 12 o 1.66623  0.25499   3.29609      0.849744 4.03601      1.24764  2.6559       1.16052  1.67593  0.380782  1.30407  0.403808  
1 1 1 62 30 13 o 1.62546  0.259116  3.22478      0.842368 5.2264       1.23408  1.47858      1.15266  1.99754  0.308901  0.964438 0.388526  
1 1 1 62 30 14 o 1.08064  0.351991  1.82658      0.871726 0.985032     1.28836  2.53715      1.18387  0.844621 0.376071  1.18296  0.409734  
1 1 1 62 30 15 o 1.15537  0.348179  2.09964      0.870691 0.233688     1.19982  4.17545      1.26549  0.718783 0.33634   1.57658  0.400431  
1 1 1 62 30 16 o 0.743992 0.319765  0.64563      0.857751 0.712028     1.22536  0.581834     1.20109  0.786326 0.357307  0.766536 0.349763  
1 1 1 62 30 17 o 0.709613 0.313958  0.543482     0.880786 0.700021     1.22433  0.375564     1.26806  0.760775 0.349595  0.724065 0.340075  
1 1 1 62 30 18 o 0.780791 0.330126  1.06941      0.8887   -0.0301033   1.2386   2.23607      1.27586  0.642521 0.311096  0.93801  0.396024  
1 1 1 62 31 0  o 0.508203 0.356151  -0.701656    1.2857   -0.701656    1.2857   -0.701656    1.2857   0.415394 0.293409  ?        ?         
1 1 1 62 31 1  o 2.92323  0.174264  9.11752      1.01883  9.07815      1.41379  9.16004      1.4695   2.82414  0.250305  2.82295  0.260278  
1 1 1 62 31 2  o 1.7182   0.26957   3.43255      0.92635  4.65235      1.27001  2.04579      1.35414  1.90645  0.345817  1.16513  0.434115  
1 1 1 62 31 3  o 1.57927  0.308802  3.08448      0.940574 3.40618      1.25431  2.67118      1.42171  1.55487  0.40089   1.30046  0.449146  
1 1 1 62 31 4  o 0.957598 0.358047  1.17756      0.922763 2.97321      1.21968  -1.22596     1.41111  1.43284  0.406678  0.685086 0.331766  
1 1 1 62 31 5  o 0.625295 0.289544  -0.300613    0.860041 0.180822     1.13143  -0.959501    1.32362  0.772631 0.347924  0.683888 0.329116  
1 1 1 62 31 6  o 0.748918 0.321831  0.394095     0.868628 -0.292816    1.10444  1.50803      1.40644  0.695798 0.32446   1.02368  0.422987  
1 1 1 62 31 7  o 0.795064 0.329368  0.627919     0.856215 0.842788     1.12044  0.326313     1.32746  0.875449 0.370439  0.819732 0.372329  
1 1 1 62 31 8  o 0.964836 0.349318  1.27274      0.868864 1.13975      1.22568  1.40708      1.23186  0.934322 0.390996  0.987784 0.400113  
1 1 1 62 31 9  o 1.09561  0.348391  1.68335      0.85726  1.85725      1.25329  1.53045      1.17517  1.08159  0.41386   1.01273  0.39774   
1 1 1 62 31 10 o 0.946174 0.346322  1.23262      0.856054 0.0587304    1.19233  2.4815       1.22983  0.747872 0.344224  1.23585  0.418083  
1 1 1 62 31 11 o 0.781156 0.326346  0.652807     0.851648 0.480782     1.28633  0.787062     1.13638  0.809493 0.367369  0.840924 0.364823  
1 1 1 62 31 12 o 0.518827 0.251791  -0.82507     0.821387 -1.31393     1.20952  -0.406653    1.11899  0.58931  0.290256  0.649056 0.309972  
1 1 1 62 31 13 o 0.739782 0.31627   0.612915     0.831336 1.76974      1.26933  -0.256024    1.10011  0.972773 0.40189   0.652524 0.310234  
1 1 1 62 31 14 o 1.37948  0.332482  2.82049      0.907875 3.50373      1.31398  2.19636      1.25585  1.34138  0.431812  1.04006  0.410309  
1 1 1 62 31 15 o 0.807174 0.334423  0.924629     0.882856 0.0972901    1.25772  1.72825      1.23957  0.712324 0.335758  0.955588 0.396111  
1 1 1 62 31 16 o 1.74055  0.263416  3.98522      0.916979 3.96885      1.29341  4.00177      1.30023  1.42581  0.423296  1.43011  0.424377  
1 1 1 62 32 0  o 0.42504  0.309538  -1.89973     1.34059  -1.89973     1.34059  -1.89973     1.34059  0.32989  0.243293  ?        ?         
1 1 1 62 32 1  o 0.914972 0.360809  1.05813      0.970732 0.690314     1.36713  1.43213      1.37859  0.881959 0.390559  1.00715  0.417625  
1 1 1 62 32 2  o 1.84359  0.275444  4.05976      1.01561  5.46844      1.41683  2.57093      1.45658  2.01499  0.36499   1.23601  0.451812  
1 1 1 62 32 3  o 1.45201  0.331562  2.7706       0.942099 4.24682      1.28909  1.07824      1.38024  1.7466   0.379641  0.939588 0.404764  
1 1 1 62 32 4  o 1.17142  0.34517   1.88636      0.86276  1.4896       1.14346  2.41078      1.31462  1.01255  0.393462  1.21582  0.430716  
1 1 1 62 32 5  f 1.68158  0.270704  3.38982      0.910423 3.54209      1.17642  3.16245      1.43754  1.5838   0.376429  1.36675  0.452013  
1 1 1 62 32 6  o 0.564319 0.270604  -0.737849    0.875094 -0.976106    1.13421  -0.387412    1.37555  0.620579 0.29999   0.737484 0.348862  
1 1 1 62 32 7  o 1.81063  0.257484  3.8825       0.932417 2.77224      1.22985  5.3834       1.42993  1.32373  0.416864  1.96001  0.378278  
1 1 1 62 32 8  o 0.626612 0.293334  -0.324084    0.915461 -1.22793     1.24138  0.753506     1.35545  0.623785 0.304331  0.868233 0.386185  
1 1 1 62 32 9  o 0.762369 0.326702  0.536636     0.890789 -0.782632    1.21617  2.06363      1.30842  0.651478 0.313997  1.09657  0.421961  
1 1 1 62 32 10 o 0.497173 0.24487   -1.21868     0.863172 -2.07872     1.2364   -0.40095     1.2056   0.54741  0.273363  0.671994 0.321122  
1 1 1 62 32 11 o 0.672555 0.304411  0.210737     0.877175 -0.848219    1.25737  1.21474      1.22431  0.632184 0.308043  0.880052 0.380191  
1 1 1 62 32 12 o 0.716952 0.312041  0.526003     0.836382 1.05196      1.18813  0.00934626   1.17758  0.837558 0.368157  0.691478 0.325625  
1 1 1 62 32 13 o 0.561732 0.269202  -0.487457    0.862773 -0.508392    1.2536   -0.468616    1.18924  0.649545 0.314232  0.641109 0.309368  
1 1 1 62 32 14 o 1.13846  0.3602    2.13582      0.91721  3.39146      1.31038  0.92971      1.28428  1.31026  0.431558  0.810892 0.367612  
1 1 1 62 32 15 o 0.590506 0.279016  -0.131727    0.877639 -0.687987    1.26776  0.380188     1.21618  0.609848 0.300114  0.700637 0.330225  
1 1 1 62 33 0  o 0.541113 0.383495  -0.846093    1.58861  -0.846093    1.58861  -0.846093    1.58861  0.449044 0.319185  ?        ?         
1 1 1 62 33 1  o 2.71536  0.199621  8.18236      1.08409  8.22919      1.45889  8.12461      1.62001  2.60264  0.28027   2.51594  0.321949  
1 1 1 62 33 2  o 1.12509  0.370564  1.84959      0.96615  1.77305      1.27103  1.95434      1.48692  1.06063  0.414276  1.0801   0.438776  
1 1 1 62 33 3  o 2.94427  0.18265   9.47163      1.07554  9.6611       1.41004  9.20801      1.66322  2.87927  0.24486   2.70196  0.307779  
1 1 1 62 33 4  f 0.599673 0.284139  -0.542963    0.91587  -1.95832     1.20978  1.35737      1.40181  0.56264  0.279471  0.970667 0.412696  
1 1 1 62 33 5  o 0.823317 0.341997  0.75815      0.927036 0.327391     1.25199  1.28096      1.37929  0.794145 0.360942  0.953247 0.40745   
1 1 1 62 33 6  o 1.48048  0.318333  2.8902       0.915514 3.11672      1.22959  2.60839      1.37146  1.40864  0.411113  1.22218  0.439228  
1 1 1 62 33 7  o 1.62752  0.303397  3.45374      0.950795 3.708        1.32044  3.17997      1.37019  1.50739  0.421638  1.33818  0.441298  
1 1 1 62 33 8  o 1.79514  0.269385  4.05406      0.967166 3.9515       1.3403   4.16548      1.39702  1.52126  0.424563  1.54681  0.434026  
1 1 1 62 33 9  o 1.00689  0.366908  1.66873      0.959921 1.81707      1.34649  1.51541      1.36885  0.981543 0.410223  0.927238 0.401309  
1 1 1 62 33 10 o 0.8273   0.342994  0.99686      0.929673 0.617007     1.22715  1.50856      1.42428  0.776663 0.354156  0.908561 0.40096   
1 1 1 62 33 11 o 0.724389 0.322245  0.519336     0.944036 0.798575     1.29475  0.202393     1.3794   0.796185 0.363252  0.733898 0.348195  
1 1 1 62 33 12 o 1.64833  0.300704  3.69789      0.954557 4.15474      1.30313  3.16893      1.4022   1.55165  0.412652  1.22977  0.443908  
1 1 1 62 33 13 o 0.789651 0.334303  0.911008     0.913255 0.64632      1.27638  1.18865      1.30725  0.762979 0.353082  0.836193 0.375383  
1 1 1 62 33 14 o 1.63468  0.313397  4.03535      0.988058 3.92122      1.35514  4.16489      1.44371  1.28005  0.438852  1.27644  0.451452  
1 1 1 62 34 0  o 0.68627  0.446404  0.730264     1.42811  0.730264     1.42811  0.730264     1.42811  0.653519 0.403416  ?        ?         
1 1 1 62 34 1  o 1.45302  0.346874  2.94054      0.995523 4.97087      1.48166  1.26963      1.34413  1.79024  0.42051   0.939748 0.401969  
1 1 1 62 34 2  o 0.889473 0.366483  1.06836      1.05208  1.19745      1.46542  0.931048     1.51139  0.926862 0.40813   0.891079 0.401645  
1 1 1 62 34 3  o 0.721653 0.33045   0.131512     1.08325  -2.41309     1.52002  2.75758      1.54416  0.60326  0.301515  1.18456  0.457865  
1 1 1 62 34 4  o 0.51735  0.25674   -1.58727     1.00928  -2.39137     1.40145  -0.720907    1.4547   0.57336  0.28668   0.695405 0.336779  
1 1 1 62 34 5  o 0.815785 0.347684  0.860115     0.999204 0.400623     1.36617  1.38864      1.4652   0.782347 0.363286  0.917926 0.405681  
1 1 1 62 34 6  o 0.662834 0.310393  -0.0793581   1.02816  -0.878575    1.40599  0.839255     1.50736  0.660873 0.322688  0.838652 0.386418  
1 1 1 62 34 7  o 0.819356 0.35785   0.90956      1.1078   -0.952797    1.56679  2.77134      1.56655  0.678244 0.333729  1.10963  0.450507  
1 1 1 62 34 8  o 0.744443 0.328382  0.592656     0.953837 -0.177555    1.25079  1.66301      1.4745   0.684162 0.326972  0.925624 0.408297  
1 1 1 62 34 9  o 0.646248 0.300388  0.0326724    0.93703  0.404721     1.25202  -0.44108     1.41282  0.742478 0.34593   0.679887 0.330039  
1 1 1 62 34 10 o 1.20318  0.359756  2.31886      0.932004 1.08736      1.20792  4.13057      1.4651   0.842842 0.370841  1.4339   0.455402  
1 1 1 62 34 11 o 0.855262 0.353563  1.1891       0.983378 0.830693     1.35453  1.58852      1.42994  0.79728  0.366934  0.898918 0.398577  
1 1 1 62 34 12 o 0.535003 0.263535  -0.927111    0.983239 0.111562     1.24243  -2.66776     1.60838  0.678708 0.324727  0.562033 0.284673  
1 1 1 62 34 13 o 0.689946 0.318816  0.543256     1.03572  -0.241569    1.287    1.98572      1.74479  0.630525 0.308059  0.832899 0.393482  
1 1 1 62 35 0  o 0.990053 0.547782  2.49494      1.56277  2.49494      1.56277  2.49494      1.56277  1.17711  0.479821  ?        ?         
1 1 1 62 35 1  o 0.681821 0.316315  0.0658681    1.03268  -0.127181    1.45578  0.261401     1.46512  0.730363 0.349936  0.768555 0.362299  
1 1 1 62 35 2  o 1.23205  0.374812  2.46684      1.00581  2.15875      1.39784  2.7976       1.44836  1.03555  0.423836  1.15229  0.443839  
1 1 1 62 35 3  o 1.04104  0.385124  1.90064      1.06197  4.36832      1.62701  0.0690136    1.40173  1.42435  0.48088   0.73736  0.350389  
1 1 1 62 35 4  o 0.647812 0.30873   -0.269408    1.09524  -1.10512     1.66931  0.36226      1.45129  0.680966 0.336113  0.768659 0.361831  
1 1 1 62 35 5  o 0.750296 0.342217  0.505313     1.14734  1.45234      1.6975   -0.291208    1.55679  0.88903  0.409796  0.716868 0.347507  
1 1 1 62 35 6  o 0.741237 0.33873   0.490998     1.13178  -0.404846    1.56503  1.47311      1.63865  0.703842 0.343087  0.883129 0.405242  
1 1 1 62 35 7  o 1.01576  0.389652  1.9225       1.11325  1.5368       1.51888  2.3702       1.63642  0.898008 0.403821  1.00419  0.436754  
1 1 1 62 35 8  o 0.507245 0.253623  -1.93121     1.09132  -3.07479     1.47828  -0.56147     1.61787  0.541859 0.274132  0.705386 0.344812  
1 1 1 62 35 9  o 0.574517 0.281314  -0.92421     1.08888  -0.328629    1.49834  -1.59079     1.58514  0.696589 0.33869   0.6275   0.312815  
1 1 1 62 35 10 o 0.757624 0.344047  0.780364     1.13213  -0.827378    1.57264  2.5099       1.63112  0.652408 0.323031  0.965568 0.427219  
1 1 1 62 35 11 o 0.716682 0.329461  0.715143     1.08855  -0.208073    1.50819  1.71904      1.57272  0.657052 0.323614  0.81977  0.383885  
1 1 1 62 36 0  o 2.11437  0.424014  6.25718      1.58943  6.25718      1.58943  6.25718      1.58943  2.33147  0.247399  ?        ?         
1 1 1 62 36 1  o 1.38713  0.364713  3.06025      1.02527  4.78629      1.56552  1.76397      1.3567   1.5208   0.468619  0.940556 0.403129  
1 1 1 62 36 2  o 0.522003 0.258694  -1.36623     1.0142   -0.510587    1.4744   -2.13473     1.3973   0.684691 0.333617  0.566864 0.284053  
1 1 1 62 36 3  o 0.675437 0.319797  -0.0786016   1.15821  0.74437      1.8884   -0.57486     1.46641  0.82142  0.394767  0.679632 0.331432  
1 1 1 62 36 4  o 1.21872  0.38679   2.56517      1.05702  1.8715       1.49346  3.26145      1.49625  0.951635 0.41556   1.20731  0.455036  
1 1 1 62 36 5  o 1.09636  0.383765  2.12457      1.04088  2.77429      1.45414  1.4419       1.49058  1.1213   0.441783  0.891721 0.400563  
1 1 1 62 36 6  o 1.01428  0.375548  1.83528      1.01025  1.19045      1.42185  2.49269      1.43565  0.848108 0.38525   1.05398  0.430146  
1 1 1 62 36 7  o 0.80102  0.347938  0.966983     1.03601  1.29475      1.52658  0.687136     1.41057  0.846108 0.389463  0.774358 0.362787  
1 1 1 62 36 8  o 2.49397  0.230264  7.79527      1.14854  6.57583      1.64688  8.95002      1.60259  1.78478  0.458886  2.41974  0.33115   
1 1 1 62 36 9  o 0.59207  0.287061  -0.335746    1.06314  -1.54554     1.5908   0.640715     1.42918  0.591113 0.297491  0.717661 0.344543  
1 1 1 62 37 0  o 2.19308  0.433601  6.82873      1.68926  6.82873      1.68926  6.82873      1.68926  2.42778  0.252239  ?        ?         
1 1 1 62 37 1  o 0.806359 0.355722  0.960478     1.11958  0.0691043    1.66006  1.70419      1.51634  0.742055 0.359445  0.9057   0.405493  
1 1 1 62 37 2  o 0.729544 0.330489  0.534155     1.03609  2.5584       1.47307  -1.4477      1.45757  1.04256  0.431966  0.611062 0.303967  
1 1 1 62 37 3  o 0.653652 0.308026  -0.0180707   1.05728  -1.62899     1.53846  1.42364      1.45542  0.611585 0.305343  0.8613   0.390851  
1 1 1 62 37 4  o 0.892084 0.366892  1.49259      1.05254  -0.297154    1.53872  3.06641      1.44292  0.685585 0.335398  1.11565  0.43991   
1 1 1 62 37 5  o 1.10793  0.389679  2.47619      1.0743   4.16239      1.62038  1.15367      1.43503  1.21382  0.469059  0.792132 0.369562  
1 1 1 62 37 6  o 0.651435 0.306498  0.249061     1.03883  -0.2513      1.47773  0.737944     1.46068  0.651237 0.320756  0.72747  0.349026  
1 1 1 62 38 0  o 0.74549  0.489998  1.89774      1.77421  1.89774      1.77421  1.89774      1.77421  0.820009 0.475977  ?        ?         
1 1 1 62 38 1  o 0.599338 0.290706  -0.312135    1.0923   -2.68724     1.55618  1.99441      1.53355  0.538133 0.274057  0.854884 0.392177  
1 1 1 62 38 2  o 0.686397 0.321407  0.483745     1.10177  0.605231     1.59462  0.372775     1.52404  0.720461 0.350016  0.699857 0.340681  
1 1 1 63 0  0  o 1.30265  0.437935  2.22461      1.01635  2.22461      1.01635  2.22461      1.01635  1.40405  0.289996  ?        ?         
1 1 1 63 0  1  o 1.30771  0.310533  1.99088      0.704455 1.99088      0.704455 1.99088      0.704455 1.36849  0.192882  ?        ?         
1 1 1 63 0  2  o 2.86023  0.137226  8.25992      0.780876 8.25992      0.780876 8.25992      0.780876 2.86718  0.0965381 ?        ?         
1 1 1 63 0  3  o 3.09407  0.12608   9.64355      0.777254 9.64355      0.777254 9.64355      0.777254 3.09978  0.0888168 ?        ?         
1 1 1 63 0  4  o 3.021    0.127854  9.19794      0.769344 9.19794      0.769344 9.19794      0.769344 3.02694  0.0900415 ?        ?         
1 1 1 63 0  5  o 6.69399  0.101079  44.9113      1.35255  44.9113      1.35255  44.9113      1.35255  6.69778  0.0714147 ?        ?         
1 1 1 63 0  6  o 5.10413  0.103673  26.129       1.05734  26.129       1.05734  26.129       1.05734  5.10787  0.0732202 ?        ?         
1 1 1 63 0  7  o 3.42747  0.130943  11.832       0.894635 11.832       0.894635 11.832       0.894635 3.43362  0.0922696 ?        ?         
1 1 1 63 0  8  o 6.20948  0.112885  38.681       1.40087  38.681       1.40087  38.681       1.40087  6.21442  0.0797282 ?        ?         
1 1 1 63 0  9  o 5.01134  0.114008  25.2113      1.14133  25.2113      1.14133  25.2113      1.14133  5.01621  0.08049   ?        ?         
1 1 1 63 0  10 o 4.05388  0.125699  16.5277      1.01692  16.5277      1.01692  16.5277      1.01692  4.05964  0.0886588 ?        ?         
1 1 1 63 0  11 o 0.512279 0.329598  0.0809414    0.748759 0.0809414    0.748759 0.0809414    0.748759 0.43874  0.280132  ?        ?         
1 1 1 63 0  12 o 0.76286  0.403952  0.878406     0.817743 0.878406     0.817743 0.878406     0.817743 0.769779 0.349721  ?        ?         
1 1 1 63 0  13 o 3.39661  0.133503  11.6313      0.903734 11.6313      0.903734 11.6313      0.903734 3.40355  0.0940404 ?        ?         
1 1 1 63 0  14 o 5.81626  0.117835  33.9741      1.36945  33.9741      1.36945  33.9741      1.36945  5.82249  0.0831943 ?        ?         
1 1 1 63 0  15 o 0.86761  0.417061  1.1534       0.830122 1.1534       0.830122 1.1534       0.830122 0.915939 0.344226  ?        ?         
1 1 1 63 0  16 o 0.529324 0.341863  0.0762009    0.817144 0.0762009    0.817144 0.0762009    0.817144 0.452933 0.290767  ?        ?         
1 1 1 63 0  17 o 1.28784  0.401029  2.13341      0.902643 2.13341      0.902643 2.13341      0.902643 1.3852   0.256694  ?        ?         
1 1 1 63 0  18 o 2.12202  0.22717   4.72217      0.938861 4.72217      0.938861 4.72217      0.938861 2.14847  0.156404  ?        ?         
1 1 1 63 0  19 o 1.772    0.305844  3.48578      0.987025 3.48578      0.987025 3.48578      0.987025 1.82535  0.196371  ?        ?         
1 1 1 63 0  20 o 0.597711 0.384917  0.161785     1.02473  0.161785     1.02473  0.161785     1.02473  0.518582 0.329487  ?        ?         
1 1 1 63 0  21 o 1.21325  0.451667  2.07561      1.01571  2.07561      1.01571  2.07561      1.01571  1.32723  0.311713  ?        ?         
1 1 1 63 0  22 o 0.827329 0.450344  1.08209      1.03894  1.08209      1.03894  1.08209      1.03894  0.836125 0.393392  ?        ?         
1 1 1 63 0  23 o 0.989594 0.473808  1.57012      1.07034  1.57012      1.07034  1.57012      1.07034  1.06392  0.387616  ?        ?         
1 1 1 63 0  24 o 0.595122 0.388593  0.102997     1.09446  0.102997     1.09446  0.102997     1.09446  0.513636 0.332066  ?        ?         
1 1 1 63 0  25 o 1.52224  0.41991   2.97196      1.10407  2.97196      1.10407  2.97196      1.10407  1.63952  0.256945  ?        ?         
1 1 1 63 0  26 o 2.01901  0.297589  4.54288      1.12397  4.54288      1.12397  4.54288      1.12397  2.07952  0.195037  ?        ?         
1 1 1 63 0  27 o 1.13959  0.484841  2.0891       1.11606  2.0891       1.11606  2.0891       1.11606  1.27538  0.35784   ?        ?         
1 1 1 63 0  28 o 0.429593 0.308311  -1.20771     1.12116  -1.20771     1.12116  -1.20771     1.12116  0.335288 0.242854  ?        ?         
1 1 1 63 0  29 o 2.26404  0.277671  5.74231      1.21462  5.74231      1.21462  5.74231      1.21462  2.33316  0.186812  ?        ?         
1 1 1 63 0  30 o 0.677316 0.429115  0.704804     1.2213   0.704804     1.2213   0.704804     1.2213   0.646633 0.386009  ?        ?         
1 1 1 63 0  31 o 0.710404 0.441242  0.929322     1.22255  0.929322     1.22255  0.929322     1.22255  0.704775 0.400477  ?        ?         
1 1 1 63 0  32 o 0.797089 0.48009   1.55268      1.35711  1.55268      1.35711  1.55268      1.35711  0.867734 0.443038  ?        ?         
1 1 1 63 0  33 f 1.78398  0.490802  5.01735      1.51212  5.01735      1.51212  5.01735      1.51212  2.05021  0.271373  ?        ?         
1 1 1 63 1  0  o 2.38264  0.15856   5.77356      0.747905 5.77356      0.747905 5.77356      0.747905 2.39288  0.11105   ?        ?         
1 1 1 63 1  1  o 3.87479  0.0784712 15.0425      0.608119 15.1737      0.859984 14.9112      0.860035 3.888    0.110595  3.8541   0.111574  
1 1 1 63 1  2  o 2.14385  0.122133  4.61736      0.52367  4.64754      0.741429 4.58732      0.739738 2.14586  0.172758  2.13183  0.173498  
1 1 1 63 1  3  f 4.02274  0.0783479 16.2136      0.630346 16.6948      0.908155 15.7662      0.875623 4.07795  0.11135   3.96302  0.110474  
1 1 1 63 1  4  o 2.96303  0.090905  8.80269      0.538709 8.74097      0.760216 8.86495      0.763493 2.94862  0.12891   2.9695   0.128556  
1 1 1 63 1  5  o 3.57749  0.0840997 12.828       0.601732 12.9858      0.868832 12.6825      0.834181 3.59491  0.120842  3.55316  0.117386  
1 1 1 63 1  6  o 3.79695  0.0847763 14.4519      0.643784 13.4579      0.895079 15.5172      0.926635 3.65916  0.122307  3.92986  0.117897  
1 1 1 63 1  7  o 6.57846  0.0824776 43.3799      1.08515  45.1812      1.55723  41.6795      1.513    6.70567  0.116113  6.44021  0.117465  
1 1 1 63 1  8  o 8.24391  0.0891542 68.1569      1.46996  66.7471      2.08412  69.5526      2.07359  8.14575  0.127927  8.31641  0.124669  
1 1 1 63 1  9  o 2.92905  0.109191  8.616        0.639653 7.29866      0.869785 10.1676      0.943974 2.68891  0.161735  3.17601  0.14861   
1 1 1 63 1  10 o 6.94393  0.0809573 48.3336      1.12432  48.6567      1.56228  47.9865      1.61932  6.9593   0.112244  6.90977  0.117176  
1 1 1 63 1  11 o 5.32723  0.0808761 28.4514      0.861691 28.8518      1.20107  28.0267      1.23695  5.35832  0.112076  5.27997  0.117136  
1 1 1 63 1  12 o 4.03851  0.0907577 16.3632      0.733051 15.6911      1.01138  17.107       1.064    3.94821  0.128081  4.1223   0.129054  
1 1 1 63 1  13 o 0.750839 0.273612  0.483248     0.533822 0.407468     0.76197  0.556294     0.748096 0.806423 0.319139  0.845231 0.320813  
1 1 1 63 1  14 o 6.71378  0.0826143 45.2276      1.10931  45.984       1.63892  44.5882      1.50697  6.75672  0.121281  6.65647  0.113196  
1 1 1 63 1  15 o 4.51918  0.0886794 20.5047      0.801517 20.3824      1.17959  20.6096      1.09245  4.49503  0.131211  4.52302  0.120765  
1 1 1 63 1  16 o 2.16807  0.145929  4.75636      0.63277  5.15845      0.921781 4.39802      0.87019  2.24487  0.205309  2.0717   0.210018  
1 1 1 63 1  17 o 4.6172   0.102451  21.4499      0.946069 21.4174      1.2871   21.4882      1.39533  4.60151  0.139856  4.60457  0.151516  
1 1 1 63 1  18 o 2.94057  0.121455  8.72626      0.714293 8.94694      1.0095   8.505        1.01082  2.96425  0.17028   2.88867  0.174963  
1 1 1 63 1  19 o 2.29738  0.152567  5.36124      0.70101  5.63463      0.97903  5.0736       1.0042   2.33926  0.209261  2.21419  0.226765  
1 1 1 63 1  20 o 3.61021  0.118566  13.1706      0.856094 13.2297      1.17909  13.1048      1.245    3.60144  0.163697  3.5799   0.173888  
1 1 1 63 1  21 o 2.30365  0.163728  5.41582      0.754345 6.01309      1.07691  4.84044      1.05698  2.40637  0.223762  2.15085  0.245712  
1 1 1 63 1  22 o 1.18946  0.321549  1.59602      0.783231 1.53606      1.11212  1.65504      1.10324  1.17246  0.397574  1.20649  0.395983  
1 1 1 63 1  23 o 1.63524  0.235274  2.81427      0.769456 2.16526      1.10622  3.4226       1.07099  1.35429  0.388237  1.74764  0.318181  
1 1 1 63 1  24 o 0.813853 0.320015  0.537333     0.761597 1.12798      1.07447  -0.0590419   1.07967  1.03544  0.386517  0.783325 0.346955  
1 1 1 63 1  25 o 0.818061 0.322188  0.557911     0.773139 0.986611     1.07205  0.0933064    1.11604  0.990356 0.381772  0.814932 0.35752   
1 1 1 63 1  26 o 0.991131 0.326159  1.13382      0.748472 1.16467      1.0528   1.10229      1.0643   1.02222  0.382397  1.007    0.382525  
1 1 1 63 1  27 o 1.28879  0.307145  1.98404      0.781572 2.77884      1.12453  1.24134      1.08704  1.47086  0.379761  1.02447  0.387342  
1 1 1 63 1  28 o 1.66134  0.254088  3.09908      0.844254 2.31614      1.18239  3.91343      1.20587  1.29593  0.408861  1.76457  0.354165  
1 1 1 63 1  29 o 1.53664  0.295768  2.88314      0.876541 3.40485      1.22324  2.33253      1.25667  1.56438  0.391517  1.2444   0.422622  
1 1 1 63 1  30 o 0.772027 0.328389  0.526216     0.888282 0.553384     1.25034  0.498531     1.26218  0.834252 0.370995  0.827565 0.370247  
1 1 1 63 1  31 o 0.819689 0.336483  0.848242     0.883639 0.512613     1.17029  1.29335      1.34772  0.787091 0.354174  0.922664 0.398749  
1 1 1 63 1  32 o 1.55346  0.332914  3.53487      1.00442  4.60716      1.42156  2.4659       1.41936  1.57504  0.436486  1.05561  0.428739  
1 1 1 63 1  33 o 1.24077  0.37768   2.76107      1.02107  1.55135      1.44652  3.96243      1.44151  0.853455 0.387918  1.30374  0.452072  
1 1 1 63 2  0  o 5.77587  0.112308  33.4661      1.29625  33.4661      1.29625  33.4661      1.29625  5.78039  0.0793178 ?        ?         
1 1 1 63 2  1  o 7.57621  0.074876  57.5028      1.13455  58.897       1.61496  56.1441      1.59423  7.66051  0.105408  7.47903  0.10658   
1 1 1 63 2  2  o 1.34976  0.189909  1.84327      0.512664 1.11635      0.728197 2.55763      0.721876 1.03709  0.319614  1.58574  0.227614  
1 1 1 63 2  3  o 1.89831  0.130981  3.62402      0.497284 3.74661      0.694884 3.49533      0.711959 1.92514  0.180477  1.85819  0.191574  
1 1 1 63 2  4  o 2.7623   0.100403  7.65635      0.554688 7.33004      0.795164 7.96565      0.774152 2.6974   0.147395  2.81326  0.13759   
1 1 1 63 2  5  o 1.25416  0.207539  1.59651      0.520573 1.23577      0.742187 1.94585      0.730358 1.08288  0.320481  1.35288  0.279451  
1 1 1 63 2  6  o 1.08345  0.251123  1.24691      0.533985 1.5317       0.733775 0.926308     0.778549 1.19487  0.305771  0.975664 0.332647  
1 1 1 63 2  7  o 4.7831   0.0811362 22.9322      0.776164 23.0955      1.09728  22.7687      1.09804  4.79441  0.114434  4.7602   0.115336  
1 1 1 63 2  8  o 0.937086 0.271999  0.920907     0.539673 0.551647     0.787135 1.24846      0.741347 0.858833 0.32817   1.08699  0.319857  
1 1 1 63 2  9  o 4.41209  0.0823039 19.5149      0.726264 19.2048      1.0485   19.8008      1.00694  4.37073  0.119946  4.43927  0.113413  
1 1 1 63 2  10 o 1.30669  0.205957  1.7355       0.538243 1.56869      0.770553 1.89444      0.752162 1.20712  0.315624  1.33007  0.290761  
1 1 1 63 2  11 o 3.36378  0.0987533 11.359       0.664369 10.909       0.916884 11.8564      0.964006 3.29011  0.139339  3.42978  0.140535  
1 1 1 63 2  12 o 5.05927  0.0851997 25.6727      0.862096 25.1524      1.26219  26.1278      1.1803   4.99865  0.126253  5.09732  0.115776  
1 1 1 63 2  13 o 3.81084  0.0973094 14.5884      0.741661 14.3857      0.945241 14.9131      1.19629  3.77877  0.125072  3.83959  0.155783  
1 1 1 63 2  14 o 0.492978 0.229857  -0.490542    0.554101 -0.66946     0.780715 -0.308938    0.786553 0.585088 0.272819  0.648645 0.291184  
1 1 1 63 2  15 o 2.26107  0.133032  5.16117      0.601591 4.72071      0.85313  5.59682      0.848447 2.14997  0.198405  2.34511  0.180897  
1 1 1 63 2  16 o 3.26856  0.107506  10.7549      0.702777 10.2242      0.999695 11.2733      0.988159 3.1748   0.157442  3.33644  0.148086  
1 1 1 63 2  17 o 1.27372  0.262898  1.74665      0.646866 1.42238      0.940232 2.03808      0.891339 1.14663  0.364887  1.35735  0.330881  
1 1 1 63 2  18 o 2.33596  0.148032  5.53448      0.691594 5.8748       0.980348 5.19731      0.975792 2.39116  0.204995  2.24535  0.217292  
1 1 1 63 2  19 o 2.31716  0.156046  5.46379      0.723166 4.42414      1.00916  6.56121      1.03682  2.05925  0.245031  2.52337  0.205444  
1 1 1 63 2  20 o 3.83707  0.122187  14.8895      0.937676 15.4637      1.31206  14.29        1.34055  3.89071  0.168615  3.73491  0.179462  
1 1 1 63 2  21 o 0.646193 0.284703  -0.11348     0.714058 0.776956     1.01114  -0.999297    1.00852  0.956877 0.370374  0.634602 0.299573  
1 1 1 63 2  22 o 2.93388  0.146035  8.76945      0.856898 8.31748      1.19483  9.24811      1.2296   2.82887  0.211185  2.98572  0.205913  
1 1 1 63 2  23 o 1.88059  0.209854  3.69767      0.7893   2.62979      1.12523  4.7321       1.10746  1.48905  0.377223  2.10159  0.263482  
1 1 1 63 2  24 o 2.79196  0.149346  8.00245      0.833936 8.15591      1.19848  7.85841      1.16114  2.78006  0.215549  2.73083  0.212598  
1 1 1 63 2  25 o 1.03731  0.33069   1.24532      0.772001 1.03978      1.06829  1.46999      1.11688  0.999534 0.382202  1.11695  0.396872  
1 1 1 63 2  26 o 0.97985  0.329947  1.11445      0.765961 0.789372     1.09267  1.42854      1.07404  0.929812 0.376748  1.08718  0.388894  
1 1 1 63 2  27 o 0.943108 0.333757  1.04741      0.789178 1.55882      1.09015  0.484307     1.14392  1.09832  0.391909  0.858744 0.369186  
1 1 1 63 2  28 o 0.745385 0.312122  0.37689      0.781795 0.952341     1.10855  -0.192537    1.10273  0.937929 0.379707  0.73168  0.334359  
1 1 1 63 2  29 o 1.56481  0.298783  3.03521      0.901594 3.9354       1.3078   2.21987      1.24464  1.66271  0.397979  1.19817  0.419627  
1 1 1 63 2  30 o 0.718295 0.317037  0.268103     0.890869 0.389107     1.27452  0.152503     1.24573  0.809608 0.366664  0.772925 0.354111  
1 1 1 63 2  31 o 0.689729 0.313686  0.213982     0.94896  -0.280797    1.30845  0.763029     1.37834  0.696298 0.333166  0.822714 0.375204  
1 1 1 63 2  32 f 0.726429 0.327451  0.464886     1.00474  0.302638     1.39472  0.639921     1.44864  0.750644 0.353748  0.791221 0.369978  
1 1 1 63 2  33 o 0.808411 0.347764  1.26177      1.01612  1.87296      1.44645  0.66628      1.42776  0.850322 0.386872  0.719966 0.345339  
1 1 1 63 3  0  o 1.45627  0.29492   2.38883      0.760409 2.38883      0.760409 2.38883      0.760409 1.5086   0.184435  ?        ?         
1 1 1 63 3  1  o 3.43464  0.0894111 11.8293      0.614189 12.2948      0.881779 11.3905      0.855985 3.49674  0.126086  3.36553  0.127169  
1 1 1 63 3  2  o 4.28296  0.0807499 18.3854      0.691698 19.4219      1.02094  17.506       0.940429 4.39664  0.116105  4.17473  0.112634  
1 1 1 63 3  3  o 0.998098 0.257961  1.05783      0.51853  0.8422       0.756152 1.24924      0.712425 0.942555 0.327362  1.08529  0.311708  
1 1 1 63 3  4  o 0.751738 0.273145  0.483117     0.531661 0.595296     0.743297 0.365601     0.760773 0.858711 0.321294  0.796998 0.31779   
1 1 1 63 3  5  o 3.90151  0.0877924 15.2641      0.685046 14.7346      0.915945 15.9362      1.03201  3.82865  0.119617  3.97991  0.129652  
1 1 1 63 3  6  o 5.00073  0.0777445 25.0616      0.777559 25.2314      1.10202  24.8932      1.09726  5.01214  0.109935  4.97838  0.110203  
1 1 1 63 3  7  o 6.27825  0.0782512 39.5027      0.982561 41.4824      1.42868  37.7258      1.35347  6.42637  0.111157  6.12866  0.110422  
1 1 1 63 3  8  o 0.517762 0.232602  -0.227237    0.502729 0.414672     0.750619 -0.749405    0.676999 0.806404 0.317505  0.522135 0.246177  
1 1 1 63 3  9  o 3.55213  0.0902433 12.6576      0.641112 12.9466      0.899715 12.3596      0.913786 3.58715  0.125408  3.50402  0.130391  
1 1 1 63 3  10 o 3.58101  0.0925761 12.8674      0.663031 13.7338      0.958398 12.0722      0.918228 3.69348  0.129742  3.46233  0.132602  
1 1 1 63 3  11 o 2.46623  0.118287  6.11693      0.583444 6.51723      0.837567 5.73957      0.813202 2.53869  0.16496   2.38148  0.170735  
1 1 1 63 3  12 o 0.747747 0.275207  0.471821     0.541223 -0.47755     0.754402 1.47867      0.776905 0.6044   0.276345  1.16895  0.322151  
1 1 1 63 3  13 o 0.92539  0.282184  0.89883      0.569656 1.29419      0.764121 0.40419      0.854698 1.09824  0.325214  0.834663 0.335258  
1 1 1 63 3  14 o 3.08461  0.105479  9.57036      0.650724 9.01793      0.906251 10.1583      0.934945 2.98494  0.151804  3.16912  0.147509  
1 1 1 63 3  15 f 1.18388  0.263672  1.51063      0.608088 2.12318      0.851709 0.873724     0.868469 1.39323  0.313282  0.966251 0.349297  
1 1 1 63 3  16 o 3.16969  0.111289  10.1209      0.705503 8.88388      0.954815 11.6083      1.04701  2.95774  0.16141   3.38307  0.154743  
1 1 1 63 3  17 o 1.73711  0.187596  3.08443      0.651748 3.17858      0.929158 2.99324      0.914441 1.74391  0.266401  1.69121  0.270351  
1 1 1 63 3  18 o 0.721693 0.291363  0.28936      0.650199 0.3011       0.920386 0.277665     0.918656 0.823334 0.341309  0.817374 0.340045  
1 1 1 63 3  19 o 2.06706  0.175871  4.37171      0.727073 2.80881      1.03817  5.87622      1.01859  1.5841   0.337686  2.38377  0.21365   
1 1 1 63 3  20 o 2.50726  0.151836  6.39743      0.761387 5.95738      1.0405   6.90465      1.1171   2.39785  0.216965  2.58171  0.216349  
1 1 1 63 3  21 o 0.605269 0.275646  -0.371235    0.738191 -0.159739    1.03387  -0.591195    1.05435  0.763465 0.338664  0.704002 0.32389   
1 1 1 63 3  22 o 0.989753 0.330706  1.05698      0.769489 0.583284     1.11152  1.49293      1.06633  0.927244 0.378465  1.15192  0.389302  
1 1 1 63 3  23 o 2.76628  0.148701  7.84048      0.822695 7.35647      1.16005  8.33024      1.16692  2.64212  0.219529  2.8196   0.20693   
1 1 1 63 3  24 o 2.14784  0.187422  4.81338      0.805105 4.45271      1.16624  5.14177      1.11282  2.00832  0.290351  2.18173  0.255031  
1 1 1 63 3  25 o 0.751664 0.310064  0.347312     0.753955 0.653952     1.0378   0.0045688    1.09719  0.897853 0.365955  0.787737 0.349226  
1 1 1 63 3  26 o 1.02577  0.334846  1.25981      0.788875 1.87874      1.09668  0.596178     1.13561  1.20591  0.394805  0.890636 0.374706  
1 1 1 63 3  27 o 0.738236 0.313602  0.301456     0.808191 0.998073     1.12853  -0.431948    1.15795  0.957708 0.385008  0.719379 0.334205  
1 1 1 63 3  28 o 1.45522  0.28908   2.54598      0.811455 2.66682      1.16922  2.43369      1.12708  1.37715  0.400563  1.31801  0.395928  
1 1 1 63 3  29 o 0.578518 0.274887  -0.601233    0.862577 -0.571641    1.16151  -0.63762     1.288    0.672869 0.31937   0.697316 0.332909  
1 1 1 63 3  30 o 2.22047  0.22845   5.67962      1.01453  7.24195      1.41134  4.00907      1.4594   2.40833  0.293012  1.55357  0.446111  
1 1 1 63 3  31 o 0.561298 0.271683  -0.72661     0.941756 -1.58066     1.30541  0.200308     1.35996  0.584806 0.290457  0.742379 0.349694  
1 1 1 63 3  32 o 0.661427 0.307384  0.0924985    0.980591 -1.4159      1.37172  1.66894      1.40232  0.600785 0.298304  0.916032 0.401323  
1 1 1 63 4  0  o 6.1945   0.110306  38.4924      1.3656   38.4924      1.3656   38.4924      1.3656   6.19935  0.0779091 ?        ?         
1 1 1 63 4  1  o 4.53392  0.0826605 20.6071      0.749553 21.1205      1.05987  20.0934      1.06019  4.5846   0.11559   4.47118  0.118558  
1 1 1 63 4  2  o 4.82661  0.0802617 23.3502      0.774783 22.6654      1.10001  24.0244      1.09146  4.74928  0.115808  4.89045  0.111591  
1 1 1 63 4  3  o 4.92234  0.0811215 24.2868      0.798615 23.5225      1.12048  25.076       1.13857  4.83826  0.115793  4.99586  0.113951  
1 1 1 63 4  4  o 3.96223  0.0868295 15.7418      0.688078 15.7301      0.949066 15.7547      0.999033 3.95583  0.119958  3.95783  0.12621   
1 1 1 63 4  5  o 2.47732  0.108606  6.16298      0.538104 6.4832       0.771026 5.8589       0.751343 2.53565  0.152037  2.40996  0.155883  
1 1 1 63 4  6  o 3.95528  0.0793818 15.6801      0.627954 14.38        0.877762 17.0431      0.898732 3.78276  0.116021  4.11933  0.109087  
1 1 1 63 4  7  o 3.52529  0.0906526 12.4663      0.639154 12.6954      0.886725 12.2185      0.922114 3.55258  0.1248    3.48393  0.132338  
1 1 1 63 4  8  o 3.05852  0.10104   9.39223      0.618067 9.5047       0.872701 9.27905      0.875463 3.07076  0.142098  3.03372  0.144289  
1 1 1 63 4  9  o 4.916    0.0813775 24.2309      0.800103 23.9156      1.12356  24.5553      1.13965  4.87738  0.11518   4.94215  0.115299  
1 1 1 63 4  10 o 2.00905  0.152454  4.07462      0.612578 3.31267      0.917155 4.6883       0.82309  1.79604  0.255327  2.14903  0.191503  
1 1 1 63 4  11 o 2.34542  0.130007  5.54401      0.609843 4.78413      0.928423 6.12068      0.808796 2.16437  0.214478  2.45867  0.164478  
1 1 1 63 4  12 o 1.64343  0.168962  2.73947      0.555355 1.76208      0.769433 3.80237      0.802383 1.27373  0.305511  1.92928  0.207949  
1 1 1 63 4  13 o 6.25372  0.0907379 39.2751      1.1349   41.0396      1.54945  37.2329      1.66696  6.38195  0.121393  6.07237  0.137258  
1 1 1 63 4  14 o 1.61013  0.18469   2.6423       0.59475  2.96091      0.826219 2.29965      0.856822 1.69244  0.24409   1.45427  0.30441   
1 1 1 63 4  15 o 2.3575   0.140289  5.62194      0.661463 6.60182      0.916804 4.55809      0.955282 2.54528  0.180099  2.10336  0.227085  
1 1 1 63 4  16 o 0.832535 0.295978  0.650207     0.621269 1.35781      0.874198 -0.071854    0.883083 1.11968  0.351231  0.732647 0.319744  
1 1 1 63 4  17 o 1.45532  0.226203  2.18967      0.658395 1.68326      0.920293 2.72061      0.94232  1.22929  0.354671  1.57698  0.309815  
1 1 1 63 4  18 o 0.983653 0.301416  1.04501      0.64889  0.303393     0.925973 1.7606       0.909586 0.823437 0.341908  1.25099  0.349956  
1 1 1 63 4  19 o 1.13634  0.301197  1.42917      0.695713 1.41193      0.979454 1.44672      0.988381 1.13538  0.373107  1.14686  0.374803  
1 1 1 63 4  20 f 1.96729  0.190855  3.9836       0.750934 3.60757      1.07028  4.34818      1.05387  1.83777  0.29119   2.03101  0.259445  
1 1 1 63 4  21 o 2.11908  0.189546  4.63265      0.803326 3.57892      1.18815  5.51997      1.0903   1.77732  0.346619  2.29298  0.237747  
1 1 1 63 4  22 o 1.85592  0.208362  3.59775      0.773406 2.81411      1.09158  4.38769      1.09596  1.55358  0.358365  2.02032  0.271233  
1 1 1 63 4  23 o 0.731232 0.306987  0.231651     0.759546 -0.316564    1.06416  0.800961     1.08444  0.734876 0.333675  0.953502 0.37966   
1 1 1 63 4  24 o 0.627861 0.282812  -0.214743    0.748099 0.107989     1.06823  -0.525364    1.048    0.801706 0.35076   0.694978 0.320973  
1 1 1 63 4  25 o 1.60548  0.240287  2.79683      0.771553 3.64236      1.06791  1.8735       1.11596  1.79558  0.297372  1.21649  0.398259  
1 1 1 63 4  26 f 0.785059 0.321054  0.482835     0.801437 0.170375     1.05106  0.916836     1.23873  0.784855 0.345623  0.962524 0.397297  
1 1 1 63 4  27 o 1.47741  0.282425  2.56694      0.804694 2.7584       1.1109   2.35557      1.16721  1.44566  0.379423  1.30799  0.404959  
1 1 1 63 4  28 o 0.95195  0.343583  1.16075      0.839996 1.35862      1.16241  0.944499     1.21521  1.00459  0.395247  0.920959 0.387548  
1 1 1 63 4  29 o 1.28038  0.349013  2.27011      0.918022 3.54751      1.25904  0.820045     1.34144  1.54275  0.40348   0.885594 0.390195  
1 1 1 63 4  30 o 0.713469 0.320819  0.28047      0.958543 0.380079     1.34737  0.178394     1.36395  0.789214 0.364284  0.767081 0.358811  
1 1 1 63 4  31 o 0.836957 0.347116  1.0813       0.952657 -0.27685     1.33575  2.48731      1.35908  0.681942 0.328776  1.07617  0.426115  
1 1 1 63 4  32 o 0.772063 0.336548  0.890823     0.975935 1.56966      1.40451  0.257069     1.35707  0.863993 0.388433  0.710925 0.339958  
1 1 1 63 5  0  o 2.82421  0.156588  8.08398      0.878258 8.08398      0.878258 8.08398      0.878258 2.83379  0.10995   ?        ?         
1 1 1 63 5  1  o 4.48176  0.0841105 20.137       0.753926 19.2263      1.08335  20.9922      1.04986  4.37268  0.123877  4.57084  0.114843  
1 1 1 63 5  2  o 8.25782  0.086788  68.3751      1.43336  65.2321      2.03195  71.4882      2.02224  8.05352  0.126153  8.43321  0.119897  
1 1 1 63 5  3  o 4.11386  0.0864964 16.9693      0.711668 16.8065      0.955424 17.1723      1.06664  4.08946  0.116815  4.13147  0.129087  
1 1 1 63 5  4  o 5.01966  0.0764602 25.2509      0.767608 25.3938      1.09612  25.1134      1.07531  5.0282   0.108997  5.00067  0.107516  
1 1 1 63 5  5  o 2.49181  0.107051  6.23588      0.5335   6.31779      0.770244 6.16035      0.739651 2.50235  0.153904  2.47157  0.149632  
1 1 1 63 5  6  o 1.53499  0.168878  2.38229      0.518455 2.97436      0.724329 1.76028      0.742418 1.70979  0.211818  1.28093  0.29559   
1 1 1 63 5  7  o 4.60693  0.0832617 21.2822      0.767162 21.6334      1.12721  20.9791      1.04707  4.63758  0.12153   4.56838  0.1146    
1 1 1 63 5  8  o 1.99885  0.15042   4.0316       0.601333 4.00109      0.930319 4.05349      0.788095 1.97831  0.23513   1.99769  0.197251  
1 1 1 63 5  9  o 0.585745 0.253907  -0.0579161   0.54958  0.941701     0.879298 -0.698768    0.704041 0.997741 0.352378  0.543184 0.254808  
1 1 1 63 5  10 o 1.79878  0.16005   3.27426      0.57579  2.62625      0.90682  3.71199      0.745312 1.56467  0.300501  1.90981  0.195127  
1 1 1 63 5  11 o 0.614463 0.261102  0.0357048    0.560548 1.10717      0.896662 -0.651676    0.718187 1.04818  0.35699   0.55631  0.260278  
1 1 1 63 5  12 o 2.76648  0.118428  7.70831      0.655258 7.0246       1.00159  8.21989      0.866392 2.62604  0.190703  2.85022  0.151987  
1 1 1 63 5  13 o 5.0224   0.0965344 25.3547      0.969669 29.1527      1.29685  20.5393      1.46028  5.37761  0.120579  4.49918  0.162283  
1 1 1 63 5  14 o 2.68311  0.12663   7.26621      0.679525 7.4749       0.979989 7.07295      0.943061 2.70832  0.180922  2.63503  0.178947  
1 1 1 63 5  15 o 2.44907  0.131851  6.06125      0.645826 6.519        0.904368 5.58488      0.922576 2.52866  0.178824  2.33557  0.197505  
1 1 1 63 5  16 o 2.40878  0.135642  5.87113      0.653464 5.15122      0.905283 6.6543       0.944223 2.2401   0.202063  2.55136  0.185043  
1 1 1 63 5  17 o 1.58372  0.207756  2.58463      0.658055 2.02474      0.911673 3.19364      0.950822 1.34425  0.33895   1.74192  0.272924  
1 1 1 63 5  18 o 1.92809  0.183152  3.8113       0.706269 3.37708      1.01112  4.22502      0.986952 1.78468  0.283277  2.01049  0.24545   
1 1 1 63 5  19 o 1.18961  0.295052  1.56583      0.699467 1.72664      1.02398  1.42516      0.957729 1.23509  0.378677  1.13735  0.368909  
1 1 1 63 5  20 o 1.15419  0.310211  1.49455      0.731595 -0.224722    1.05374  3.09453      1.01653  0.759371 0.339054  1.66649  0.316435  
1 1 1 63 5  21 o 1.5953   0.227229  2.66785      0.725001 2.39282      1.01945  2.94928      1.03126  1.43777  0.35596   1.61373  0.330915  
1 1 1 63 5  22 o 0.567932 0.264763  -0.551015    0.734794 -1.21706     1.04242  0.106758     1.03592  0.614357 0.294779  0.799913 0.347697  
1 1 1 63 5  23 o 0.611048 0.27864   -0.343766    0.759674 -0.258842    1.09429  -0.422768    1.05545  0.751537 0.340089  0.714356 0.326721  
1 1 1 63 5  24 o 0.964753 0.323728  1.0516       0.737355 -0.792281    1.03684  2.93835      1.04882  0.653    0.306934  1.57119  0.343236  
1 1 1 63 5  25 o 1.56561  0.246296  2.6849       0.771207 1.97142      1.083    3.41893      1.09847  1.23822  0.391365  1.6856   0.337754  
1 1 1 63 5  26 o 1.16225  0.349772  1.7159       0.87908  1.62595      1.1773   1.82924      1.32159  1.11243  0.406238  1.15853  0.429421  
1 1 1 63 5  27 o 1.02144  0.340047  1.31956      0.813572 2.20637      1.09346  0.219868     1.21766  1.26653  0.391925  0.816681 0.364562  
1 1 1 63 5  28 o 2.53732  0.189508  7.0255       0.961686 7.69103      1.30588  6.23686      1.42153  2.57148  0.253915  2.22684  0.319182  
1 1 1 63 5  29 o 2.54052  0.196236  7.15699      0.997083 5.5348       1.31451  9.35493      1.5301   2.07866  0.31619   2.77671  0.275524  
1 1 1 63 5  30 o 0.650662 0.300036  0.0195551    0.911098 0.380907     1.22792  -0.423057    1.359    0.75676  0.348716  0.689737 0.332311  
1 1 1 63 5  31 o 0.594703 0.285974  -0.519978    0.994546 -2.07213     1.45672  0.835194     1.36115  0.584733 0.292366  0.810526 0.370842  
1 1 1 63 5  32 o 0.561784 0.274973  -0.621112    1.0377   0.188574     1.58529  -1.22814     1.37263  0.69024  0.338361  0.5769   0.288081  
1 1 1 63 6  0  o 2.62478  0.195535  7.05146      1.01338  7.05146      1.01338  7.05146      1.01338  2.64037  0.136527  ?        ?         
1 1 1 63 6  1  o 6.32921  0.0777059 40.1495      0.983634 38.1898      1.33132  42.5053      1.45966  6.16627  0.107951  6.5042   0.112209  
1 1 1 63 6  2  o 5.14171  0.0784745 26.4987      0.806986 26.643       1.12272  26.3445      1.16073  5.15008  0.109     5.12022  0.113348  
1 1 1 63 6  3  o 4.78674  0.0756313 22.9632      0.724055 22.6766      1.01222  23.2634      1.03614  4.75165  0.106512  4.8125   0.107651  
1 1 1 63 6  4  o 2.16098  0.119876  4.6961       0.5181   4.78827      0.742393 4.60859      0.723383 2.17585  0.170599  2.1348   0.169426  
1 1 1 63 6  5  o 1.96985  0.13246   3.90726      0.521852 4.0048       0.752852 3.81706      0.724013 1.9871   0.189435  1.94037  0.186566  
1 1 1 63 6  6  o 4.79121  0.0817265 23.0169      0.783139 23.7619      1.15934  22.3917      1.06209  4.86076  0.119255  4.72     0.112509  
1 1 1 63 6  7  f 3.40915  0.0913451 11.6614      0.622818 11.0123      0.933657 12.1818      0.836008 3.30508  0.141246  3.48003  0.120115  
1 1 1 63 6  8  o 3.36884  0.0956807 11.3938      0.644666 11.118       0.990328 11.5966      0.849238 3.31841  0.149217  3.39389  0.125113  
1 1 1 63 6  9  o 2.4018   0.125686  5.81214      0.603746 4.67973      0.924395 6.65454      0.797289 2.13966  0.216014  2.56495  0.15542   
1 1 1 63 6  10 o 3.08132  0.0982463 9.54047      0.605456 9.79383      0.863584 9.29554      0.849088 3.11461  0.138635  3.03407  0.139926  
1 1 1 63 6  11 o 1.76418  0.154124  3.1501       0.543804 3.21896      0.780697 3.0852       0.757918 1.77227  0.220253  1.73542  0.218368  
1 1 1 63 6  12 o 1.65457  0.170853  2.78155      0.565376 3.31863      0.816403 2.28661      0.783723 1.79628  0.227249  1.45967  0.278447  
1 1 1 63 6  13 o 2.30405  0.142507  5.37102      0.656686 5.1674       0.99728  5.5269       0.872557 2.24125  0.222483  2.32734  0.187458  
1 1 1 63 6  14 o 1.11743  0.274918  1.355        0.611007 0.614087     0.910942 1.96095      0.823802 0.901167 0.350979  1.33652  0.313309  
1 1 1 63 6  15 o 4.74802  0.0972755 22.6788      0.923732 24.177       1.30457  21.1725      1.30815  4.88926  0.133412  4.57153  0.143075  
1 1 1 63 6  16 o 0.863144 0.298232  0.736169     0.626877 0.6298       0.871873 0.850008     0.90197  0.890165 0.344052  0.959996 0.354972  
1 1 1 63 6  17 o 2.04486  0.16564   4.26709      0.677422 4.43296      0.971714 4.11026      0.944888 2.06332  0.235474  1.98599  0.237889  
1 1 1 63 6  18 o 0.836492 0.309891  0.626454     0.688072 0.099435     0.986456 1.12583      0.960234 0.799057 0.343157  1.04557  0.368343  
1 1 1 63 6  19 o 2.60041  0.14411   6.87776      0.749492 5.72722      1.02836  8.18137      1.09463  2.34731  0.21905   2.81693  0.194295  
1 1 1 63 6  20 o 0.438875 0.217278  -1.55488     0.710979 -1.69428     0.993275 -1.40842     1.01814  0.553095 0.270323  0.590431 0.285211  
1 1 1 63 6  21 o 0.860659 0.323789  0.683979     0.756916 1.73999      1.07794  -0.343144    1.0631   1.21748  0.391026  0.736907 0.334247  
1 1 1 63 6  22 o 1.26943  0.292976  1.83295      0.729265 2.71687      1.01525  0.890713     1.04821  1.52317  0.341719  0.967802 0.376585  
1 1 1 63 6  23 o 1.42945  0.275412  2.29535      0.759277 1.2341       1.07755  3.34186      1.07005  1.05323  0.388255  1.69703  0.326937  
1 1 1 63 6  24 o 1.16788  0.317792  1.61908      0.761945 1.87479      1.08169  1.36725      1.07346  1.2209   0.391664  1.07526  0.388375  
1 1 1 63 6  25 o 1.52255  0.289599  2.70209      0.850059 2.67837      1.12966  2.73305      1.2907   1.43607  0.385251  1.41534  0.423396  
1 1 1 63 6  26 o 2.17411  0.198942  5.08257      0.865044 4.77225      1.21414  5.40249      1.23279  2.01865  0.30073   2.16417  0.284818  
1 1 1 63 6  27 o 0.813102 0.329189  0.656467     0.833257 1.26538      1.12991  -0.0695016   1.23373  0.988729 0.389466  0.767201 0.351871  
1 1 1 63 6  28 o 1.06175  0.358745  1.59909      0.905501 2.13153      1.23193  0.973395     1.33547  1.15709  0.416241  0.911612 0.395491  
1 1 1 63 6  29 o 2.18454  0.217357  5.4537       0.949648 5.55653      1.27938  5.32753      1.41718  2.08044  0.307478  1.92096  0.38244   
1 1 1 63 6  30 o 0.715761 0.317031  0.465622     0.901485 0.934375     1.22728  -0.0836506   1.32851  0.821875 0.366464  0.706785 0.337591  
1 1 1 63 6  31 o 0.918757 0.374257  1.52761      1.08477  1.08369      1.62735  1.88259      1.45524  0.831767 0.38968   0.939467 0.410228  
1 1 1 63 7  0  o 4.88019  0.120161  23.9274      1.17121  23.9274      1.17121  23.9274      1.17121  4.88588  0.0848089 ?        ?         
1 1 1 63 7  1  o 6.73998  0.0786944 45.5388      1.0608   45.4963      1.51114  45.58        1.48948  6.72829  0.112298  6.73498  0.110578  
1 1 1 63 7  2  o 2.77181  0.106997  7.71783      0.593148 6.74986      0.859667 8.59736      0.819452 2.58386  0.166353  2.92071  0.140283  
1 1 1 63 7  3  o 3.5922   0.0858162 12.9417      0.616537 12.456       0.861247 13.4523      0.88299  3.51878  0.122379  3.65709  0.120723  
1 1 1 63 7  4  o 3.27252  0.090303  10.7443      0.591037 11.9836      0.843905 9.55127      0.828025 3.45135  0.122257  3.07931  0.13445   
1 1 1 63 7  5  o 3.04791  0.103476  9.32983      0.63077  9.70669      0.948647 9.03117      0.844495 3.10083  0.152967  2.99309  0.141074  
1 1 1 63 7  6  o 3.11553  0.0973031 9.74499      0.606301 10.0167      0.936809 9.54917      0.795334 3.15023  0.148689  3.07934  0.12914   
1 1 1 63 7  7  o 4.22587  0.0820128 17.9123      0.693151 17.2976      1.03569  18.4111      0.932878 4.14441  0.12495   4.27931  0.108999  
1 1 1 63 7  8  o 2.65052  0.109412  7.06701      0.58     6.79945      0.845419 7.30491      0.797192 2.59066  0.163167  2.68826  0.148273  
1 1 1 63 7  9  o 2.72581  0.10755   7.4733       0.586324 7.24296      0.871234 7.66399      0.792695 2.67353  0.162937  2.75412  0.143911  
1 1 1 63 7  10 o 0.897257 0.271523  0.845026     0.528769 0.461413     0.747698 1.22883      0.747887 0.812957 0.317701  1.07182  0.322631  
1 1 1 63 7  11 o 0.908717 0.272697  0.871725     0.53485  0.906525     0.764322 0.838333     0.748703 0.956535 0.329423  0.930051 0.325484  
1 1 1 63 7  12 o 1.3533   0.211878  1.87889      0.573472 1.97165      0.815348 1.78807      0.806743 1.34276  0.309711  1.27622  0.317077  
1 1 1 63 7  13 o 1.36547  0.219645  1.91823      0.599838 1.83074      0.845446 2.0069       0.85118  1.28803  0.327388  1.3507   0.319662  
1 1 1 63 7  14 o 2.88194  0.11715   8.37686      0.675236 8.81644      0.976149 7.97354      0.935034 2.94376  0.165799  2.79915  0.167021  
1 1 1 63 7  15 f 2.14537  0.159898  4.68128      0.686083 4.51583      1.03658  4.81025      0.915242 2.08229  0.248904  2.16102  0.211761  
1 1 1 63 7  16 o 4.07857  0.106364  16.7735      0.867628 16.769       1.24682  16.7777      1.20812  4.05999  0.15355   4.06322  0.148665  
1 1 1 63 7  17 f 2.47991  0.142635  6.24466      0.707447 6.63789      1.02496  5.88687      0.977672 2.5375   0.201964  2.38869  0.204646  
1 1 1 63 7  18 o 1.36116  0.256418  2.00221      0.672467 2.83402      0.954312 1.1818       0.947747 1.60292  0.308695  1.05975  0.366647  
1 1 1 63 7  19 o 3.14274  0.128548  10.0199      0.807988 9.30188      1.09482  10.8787      1.19739  3.0066   0.18207   3.25038  0.184191  
1 1 1 63 7  20 o 3.27261  0.132361  10.8896      0.866333 10.9698      1.17205  10.7929      1.28626  3.2622   0.179641  3.22461  0.199444  
1 1 1 63 7  21 o 3.19166  0.128307  10.3745      0.819023 11.0108      1.15324  9.72691      1.16337  3.26139  0.176802  3.05715  0.19027   
1 1 1 63 7  22 o 1.21155  0.305253  1.69436      0.739844 1.10165      1.01476  2.36692      1.08097  1.01431  0.376221  1.39416  0.378142  
1 1 1 63 7  23 o 0.926406 0.324195  0.939986     0.742778 1.10696      1.0596   0.778662     1.04153  1.01256  0.382544  0.928907 0.371345  
1 1 1 63 7  24 o 1.66664  0.230306  3.00746      0.767673 2.37378      1.0122   3.86548      1.17783  1.37969  0.362207  1.79338  0.340695  
1 1 1 63 7  25 o 0.807689 0.330937  0.539906     0.853151 1.54402      1.11993  -0.848571    1.31695  1.0929   0.3965    0.717763 0.340389  
1 1 1 63 7  26 o 0.647102 0.291942  -0.117686    0.800336 -1.41341     1.14496  1.12033      1.11917  0.606628 0.295296  0.975822 0.386588  
1 1 1 63 7  27 o 0.937538 0.349021  1.13525      0.874933 0.458246     1.20332  1.89463      1.27442  0.827199 0.366349  1.11465  0.419983  
1 1 1 63 7  28 o 1.39819  0.332577  2.61841      0.917727 3.01527      1.18407  2.02134      1.45236  1.41368  0.400523  1.09533  0.438245  
1 1 1 63 7  29 o 0.824902 0.339281  0.920975     0.900129 0.490294     1.28806  1.33205      1.2584   0.78475  0.359758  0.911699 0.389422  
1 1 1 63 7  30 o 0.950365 0.373161  1.59592      1.03419  1.70665      1.54118  1.50522      1.39487  0.917502 0.40984   0.897671 0.396394  
1 1 1 63 7  31 o 0.929579 0.372709  1.72557      1.05361  1.34269      1.65022  1.98904      1.36894  0.813955 0.383936  0.916275 0.399008  
1 1 1 63 8  0  o 2.94744  0.134412  8.77277      0.788589 8.77277      0.788589 8.77277      0.788589 2.95468  0.094581  ?        ?         
1 1 1 63 8  1  o 4.4382   0.0802667 19.7487      0.712479 20.9133      1.07022  18.8217      0.954821 4.56035  0.11734   4.3277   0.110315  
1 1 1 63 8  2  o 1.57278  0.172368  2.50328      0.542194 2.27196      0.795151 2.7043       0.741241 1.46115  0.282167  1.62733  0.227747  
1 1 1 63 8  3  o 4.64101  0.0782829 21.5933      0.726624 22.0041      1.03748  21.1978      1.018    4.6789   0.110868  4.59239  0.110836  
1 1 1 63 8  4  o 1.65063  0.17382   2.75986      0.573825 3.09771      0.918898 2.54389      0.734686 1.73396  0.264971  1.5766   0.232997  
1 1 1 63 8  5  o 5.25438  0.080578  27.6897      0.846776 27.391       1.28732  27.9174      1.12423  5.21568  0.123409  5.27013  0.10666   
1 1 1 63 8  6  o 2.58441  0.113647  6.72099      0.58742  6.35342      0.913813 6.97985      0.766851 2.50056  0.182722  2.62849  0.145873  
1 1 1 63 8  7  o 2.21434  0.124057  4.94103      0.549408 5.57147      0.787326 4.34267      0.767033 2.34402  0.167944  2.06629  0.185606  
1 1 1 63 8  8  o 3.81584  0.0874186 14.6169      0.667151 14.5627      0.968887 14.6658      0.919997 3.80054  0.127467  3.8156   0.120557  
1 1 1 63 8  9  o 3.27465  0.0950749 10.7741      0.622675 11.0713      0.924998 10.5277      0.842028 3.31046  0.139708  3.23029  0.130333  
1 1 1 63 8  10 o 3.60303  0.0908759 13.0415      0.654857 13.1432      0.92257  12.9381      0.929687 3.60893  0.127818  3.58014  0.12984   
1 1 1 63 8  11 o 2.78654  0.110465  7.81954      0.615631 7.36208      0.860948 8.29818      0.880654 2.69345  0.159823  2.86108  0.153902  
1 1 1 63 8  12 o 2.36042  0.129596  5.62737      0.6118   7.26257      0.895856 4.19819      0.837519 2.67258  0.167601  2.02321  0.206977  
1 1 1 63 8  13 f 2.70671  0.122234  7.39438      0.661702 7.04669      0.928623 7.75301      0.943122 2.6289   0.176618  2.7592   0.170905  
1 1 1 63 8  14 o 4.56144  0.09874   20.9408      0.900793 21.3493      1.31393  20.5785      1.23735  4.58946  0.143146  4.50829  0.13723   
1 1 1 63 8  15 o 3.10557  0.115988  9.73807      0.72042  10.5201      1.05229  9.04819      0.988363 3.21265  0.163773  2.97871  0.165905  
1 1 1 63 8  16 o 5.06703  0.0947668 25.8484      0.960371 29.005       1.39658  23.0166      1.32276  5.35146  0.130486  4.76313  0.138854  
1 1 1 63 8  17 o 4.43671  0.106241  19.855       0.942723 19.0885      1.36545  20.5532      1.30315  4.32783  0.157752  4.49742  0.144878  
1 1 1 63 8  18 o 1.75099  0.20068   3.17206      0.702779 2.12465      0.988659 4.24189      0.999184 1.35956  0.358455  2.00703  0.248921  
1 1 1 63 8  19 o 0.662707 0.287329  -0.00466329  0.704071 0.722776     0.975639 -0.79519     1.01707  0.928925 0.362933  0.660241 0.309096  
1 1 1 63 8  20 o 2.62911  0.150681  7.07778      0.792317 6.74208      1.08369  7.46332      1.16135  2.53638  0.213629  2.6662   0.217791  
1 1 1 63 8  21 o 1.05311  0.318538  1.27263      0.727854 1.87915      1.01458  0.629501     1.04476  1.24968  0.3757    0.904818 0.367721  
1 1 1 63 8  22 o 1.3295   0.288226  2.01462      0.744823 2.54807      1.04516  1.46414      1.06172  1.45385  0.360713  1.1146   0.387832  
1 1 1 63 8  23 o 2.36665  0.172656  5.84384      0.817232 5.73746      1.07495  5.98954      1.258    2.3062   0.233056  2.32719  0.270282  
1 1 1 63 8  24 o 1.3631   0.316243  2.235        0.846189 2.19684      1.08902  2.29314      1.34428  1.29613  0.389151  1.28747  0.437106  
1 1 1 63 8  25 o 1.51599  0.291332  2.71905      0.851799 3.12438      1.18293  2.28256      1.22756  1.54015  0.384744  1.28025  0.417699  
1 1 1 63 8  26 o 1.1227   0.336594  1.63865      0.815118 0.794696     1.13747  2.52952      1.16866  0.892111 0.375155  1.32942  0.403935  
1 1 1 63 8  27 o 1.93545  0.245849  4.3485       0.951659 4.37629      1.30464  4.3169       1.39123  1.76869  0.379751  1.70855  0.411446  
1 1 1 63 8  28 o 0.62626  0.293418  -0.33518     0.923157 -1.44753     1.21538  1.18172      1.41929  0.598577 0.294336  0.934958 0.406697  
1 1 1 63 8  29 o 0.731123 0.323953  0.494902     0.94243  0.752249     1.35861  0.256225     1.3084   0.810562 0.370708  0.745223 0.349184  
1 1 1 63 8  30 o 0.775888 0.342526  0.737705     1.04059  1.41539      1.68569  0.320464     1.32269  0.882497 0.407387  0.74424  0.349147  
1 1 1 63 8  31 o 0.96598  0.380406  2.05245      1.07768  2.0957       1.82774  2.0294       1.3343   0.835876 0.398468  0.889919 0.390665  
1 1 1 63 9  0  o 3.40962  0.121969  11.7089      0.82932  11.7089      0.82932  11.7089      0.82932  3.41574  0.0859636 ?        ?         
1 1 1 63 9  1  o 2.34669  0.121469  5.54387      0.5701   5.11615      0.825581 5.93374      0.788203 2.2447   0.183896  2.42139  0.162758  
1 1 1 63 9  2  o 0.922666 0.261987  0.902208     0.506079 1.06367      0.698344 0.723636     0.734426 1.00746  0.313503  0.893084 0.321374  
1 1 1 63 9  3  o 3.304    0.0920412 10.9606      0.608209 11.5123      0.870798 10.4351      0.849857 3.37967  0.128829  3.21702  0.132088  
1 1 1 63 9  4  o 2.67563  0.115169  7.20614      0.616298 6.52353      0.984932 7.64539      0.790082 2.53063  0.194602  2.7511   0.143594  
1 1 1 63 9  5  o 1.39895  0.200202  1.9963       0.560147 2.22999      0.896801 1.8468       0.717272 1.43093  0.321265  1.30966  0.281911  
1 1 1 63 9  6  o 1.2737   0.210137  1.65847      0.535303 1.06804      0.781296 2.18086      0.734899 1.01762  0.333234  1.43035  0.266822  
1 1 1 63 9  7  o 0.819492 0.275122  0.662798     0.532558 -0.015054    0.760852 1.31388      0.745679 0.69671  0.300333  1.10384  0.319508  
1 1 1 63 9  8  o 0.751712 0.27642   0.483296     0.545901 0.493724     0.806426 0.474475     0.741674 0.8405   0.329639  0.813844 0.316752  
1 1 1 63 9  9  o 0.940788 0.275888  0.94226      0.552453 1.46718      0.814966 0.495954     0.751465 1.1591   0.333543  0.822005 0.31906   
1 1 1 63 9  10 o 2.6258   0.114961  6.94773      0.603732 7.02579      0.872654 6.87607      0.836129 2.62964  0.165927  2.60276  0.160624  
1 1 1 63 9  11 o 1.04069  0.272626  1.17223      0.574214 0.295035     0.825412 1.99488      0.799339 0.792611 0.325261  1.35116  0.303271  
1 1 1 63 9  12 o 3.59845  0.0980648 13.0263      0.705763 11.2996      1.0049   14.707       0.991433 3.33781  0.150533  3.81478  0.129946  
1 1 1 63 9  13 o 0.83037  0.29341   0.656493     0.609698 0.574901     0.866558 0.73648      0.857991 0.875144 0.342018  0.918443 0.344887  
1 1 1 63 9  14 o 3.76029  0.100043  14.2403      0.752382 12.9619      1.06428  15.5175      1.06378  3.57226  0.148964  3.91369  0.135906  
1 1 1 63 9  15 o 0.948609 0.303047  0.957526     0.64808  0.874832     0.947253 1.0303       0.888602 0.972761 0.362956  1.00682  0.354374  
1 1 1 63 9  16 o 2.76563  0.125807  7.74119      0.695873 8.46578      0.99941  7.05934      0.969497 2.87659  0.173714  2.6229   0.184814  
1 1 1 63 9  17 o 1.60181  0.207284  2.65658      0.664059 4.47389      0.954746 0.953558     0.924239 2.07039  0.230572  0.986064 0.359955  
1 1 1 63 9  18 o 1.47365  0.243841  2.28544      0.718675 1.6651       1.06882  2.79737      0.970936 1.20738  0.389528  1.58094  0.318255  
1 1 1 63 9  19 o 1.64364  0.221559  2.83425      0.728325 2.59103      1.00076  3.10814      1.06198  1.50045  0.341116  1.65199  0.333106  
1 1 1 63 9  20 o 0.87048  0.315773  0.760283     0.710307 -0.68347     0.969181 2.43569      1.04404  0.648129 0.302894  1.42953  0.364088  
1 1 1 63 9  21 o 0.916217 0.321017  0.90145      0.728473 2.39766      1.00493  -0.755438    1.05751  1.41605  0.35515   0.668972 0.31354   
1 1 1 63 9  22 o 0.842995 0.32468   0.660998     0.775031 0.884005     1.05383  0.398288     1.1438   0.954968 0.37614   0.870346 0.371497  
1 1 1 63 9  23 o 0.829392 0.329451  0.612568     0.81479  0.0820894    1.05443  1.39877      1.28367  0.778788 0.344174  1.08347  0.417737  
1 1 1 63 9  24 o 1.93189  0.212352  4.03973      0.820483 3.78117      1.11845  4.341        1.20731  1.7629   0.329445  1.91706  0.314886  
1 1 1 63 9  25 o 1.20114  0.315681  1.78413      0.768327 1.74959      1.01212  1.83109      1.18032  1.14691  0.379279  1.15413  0.408198  
1 1 1 63 9  26 o 0.859058 0.334797  0.860451     0.829161 0.725627     1.14634  1.00838      1.20078  0.866799 0.371006  0.926578 0.38733   
1 1 1 63 9  27 o 0.878006 0.352054  0.96366      0.940146 0.483593     1.35095  1.4145       1.30917  0.836085 0.378136  0.985804 0.407763  
1 1 1 63 9  28 o 0.984088 0.36713   1.51391      0.969099 -0.130268    1.38484  3.09177      1.35662  0.736308 0.349122  1.29948  0.439107  
1 1 1 63 9  29 o 0.985208 0.380263  1.76013      1.06429  2.98091      1.51166  0.56023      1.49868  1.13494  0.449395  0.78207  0.368012  
1 1 1 63 9  30 o 0.726494 0.32969   0.548514     1.03579  1.93509      1.71159  -0.252695    1.30107  0.9059   0.415051  0.666251 0.321936  
1 1 1 63 10 0  o 1.62927  0.320008  2.99622      0.927097 2.99622      0.927097 2.99622      0.927097 1.68838  0.20055   ?        ?         
1 1 1 63 10 1  o 6.64367  0.0758202 44.2654      1.00745  45.1181      1.43175  43.4292      1.41785  6.69797  0.106879  6.57106  0.107886  
1 1 1 63 10 2  o 3.26506  0.0925054 10.7064      0.604071 10.6042      0.846824 10.8123      0.861947 3.24262  0.130577  3.27405  0.131633  
1 1 1 63 10 3  o 1.55609  0.179006  2.46052      0.557101 2.81356      0.803363 2.13348      0.77322  1.65301  0.243     1.40944  0.284267  
1 1 1 63 10 4  o 3.3465   0.093887  11.2491      0.628386 10.4308      0.951023 11.8832      0.837168 3.21189  0.148047  3.4343   0.121884  
1 1 1 63 10 5  o 3.22922  0.0921859 10.4733      0.595377 11.2933      0.863577 9.7305       0.821945 3.34626  0.129036  3.10543  0.13234   
1 1 1 63 10 6  o 2.92125  0.101197  8.58012      0.591241 8.88169      0.842864 8.28798      0.829577 2.96429  0.142169  2.86292  0.144883  
1 1 1 63 10 7  o 3.48472  0.089191  12.1968      0.62161  12.0318      0.890299 12.3537      0.868294 3.45275  0.128926  3.49983  0.124048  
1 1 1 63 10 8  o 3.35497  0.0944112 11.3133      0.633494 11.0253      0.889164 11.6102      0.902784 3.30328  0.134588  3.39014  0.133149  
1 1 1 63 10 9  o 1.74143  0.165365  3.08109      0.575943 2.80427      0.808932 3.36567      0.820198 1.64572  0.245768  1.80751  0.226886  
1 1 1 63 10 10 o 2.77781  0.11004   7.77249      0.611342 7.01306      0.848826 8.59099      0.881218 2.62757  0.161523  2.91094  0.151363  
1 1 1 63 10 11 o 2.03067  0.147021  4.17926      0.597105 3.59222      0.834051 4.79647      0.855216 1.86613  0.223471  2.16357  0.19764   
1 1 1 63 10 12 o 3.37161  0.100643  11.4435      0.678662 10.9005      0.958471 11.9895      0.96108  3.27854  0.146173  3.4405   0.139672  
1 1 1 63 10 13 o 1.7608   0.175985  3.16825      0.619748 2.61475      0.867369 3.74556      0.885834 1.55019  0.290497  1.89926  0.233204  
1 1 1 63 10 14 o 1.28389  0.249095  1.77586      0.616792 1.74673      0.889296 1.80287      0.856196 1.24611  0.345199  1.26779  0.333265  
1 1 1 63 10 15 o 4.25879  0.100353  18.2764      0.854761 18.1436      1.2974   18.3782      1.13621  4.2217   0.153658  4.25819  0.133414  
1 1 1 63 10 16 o 0.550584 0.253093  -0.41866     0.642302 -0.985555    0.952209 0.0546228    0.870045 0.612801 0.290058  0.746147 0.321397  
1 1 1 63 10 17 o 2.93339  0.122765  8.71857      0.720234 9.65425      1.04147  7.86091      0.997107 3.06866  0.169695  2.76462  0.180334  
1 1 1 63 10 18 o 3.29664  0.125218  11.0293      0.825595 12.8424      1.14633  9.07543      1.19003  3.53999  0.161912  2.95642  0.201262  
1 1 1 63 10 19 o 2.44347  0.159462  6.13688      0.779279 5.71708      1.11925  6.53185      1.08565  2.31803  0.241422  2.49166  0.217858  
1 1 1 63 10 20 o 0.458628 0.225089  -1.28079     0.705066 -1.24588     0.973145 -1.31937     1.02295  0.580791 0.280161  0.59273  0.286245  
1 1 1 63 10 21 o 1.6606   0.233476  2.95259      0.775424 2.22952      1.00631  4.00942      1.2166   1.35528  0.363625  1.84847  0.341954  
1 1 1 63 10 22 o 0.938695 0.338792  0.972175     0.816726 1.10451      1.07673  0.792872     1.25333  1.00437  0.383808  0.961272 0.398375  
1 1 1 63 10 23 o 0.565005 0.266243  -0.650264    0.789766 -1.10908     1.09243  -0.147912    1.14308  0.625805 0.300634  0.760161 0.345334  
1 1 1 63 10 24 o 2.33423  0.177697  5.77472      0.829573 5.65551      1.12382  5.91746      1.22971  2.24963  0.249778  2.28155  0.26949   
1 1 1 63 10 25 o 0.784213 0.319627  0.562224     0.791644 -0.36991     1.06232  1.72634      1.18717  0.685782 0.319178  1.10498  0.407506  
1 1 1 63 10 26 o 0.671546 0.301951  0.0441977    0.848993 0.721558     1.22861  -0.574846    1.17453  0.864444 0.377206  0.676228 0.321054  
1 1 1 63 10 27 o 0.650548 0.298106  -0.0984385   0.883344 0.596523     1.25322  -0.784628    1.24529  0.832745 0.370842  0.663899 0.319431  
1 1 1 63 10 28 o 0.6614   0.303859  0.0785818    0.924352 -0.289574    1.37597  0.381379     1.24786  0.703148 0.337695  0.757235 0.349924  
1 1 1 63 10 29 o 0.784312 0.34748   0.766051     1.08386  0.986994     1.59143  0.574906     1.48023  0.836601 0.38987   0.786897 0.369194  
1 1 1 63 10 30 o 0.664679 0.311832  0.342519     1.05538  2.66153      1.78288  -0.908409    1.30944  0.894592 0.415255  0.586359 0.291184  
1 1 1 63 11 0  o 2.77701  0.159661  7.83783      0.880057 7.83783      0.880057 7.83783      0.880057 2.78842  0.111996  ?        ?         
1 1 1 63 11 1  o 5.32798  0.0766791 28.4735      0.817089 28.9944      1.16912  27.9761      1.14242  5.36821  0.108893  5.27326  0.108322  
1 1 1 63 11 2  o 2.13516  0.132173  4.60039      0.564421 4.59368      0.779941 4.60777      0.81783  2.12468  0.183543  2.12613  0.192328  
1 1 1 63 11 3  o 3.55083  0.089642  12.662       0.636606 12.4258      0.924254 12.8752      0.878111 3.50891  0.131701  3.57391  0.12285   
1 1 1 63 11 4  o 2.54878  0.107589  6.53701      0.548442 7.45333      0.769313 5.59005      0.782073 2.71531  0.141662  2.34669  0.166633  
1 1 1 63 11 5  o 2.65418  0.10458   7.08762      0.55515  7.78707      0.761718 6.29517      0.810777 2.77594  0.1372    2.49061  0.162767  
1 1 1 63 11 6  o 4.10409  0.090283  16.922       0.741059 16.3926      1.05012  17.4472      1.04593  4.02919  0.130313  4.15816  0.125768  
1 1 1 63 11 7  o 5.7881   0.0831426 33.6365      0.962475 34.6135      1.32244  32.5362      1.40347  5.86166  0.112804  5.67887  0.123569  
1 1 1 63 11 8  o 2.35554  0.119928  5.5958       0.564991 5.60683      0.784456 5.58392      0.814423 2.34855  0.167009  2.34215  0.173862  
1 1 1 63 11 9  o 2.45704  0.120063  6.09006      0.590001 7.1136       0.858186 5.17267      0.812465 2.64588  0.162174  2.25199  0.180388  
1 1 1 63 11 10 o 1.42397  0.199197  2.07846      0.567304 1.08937      0.793889 3.11054      0.810961 1.01947  0.335909  1.73371  0.23388   
1 1 1 63 11 11 o 0.646457 0.269349  0.132691     0.577744 0.417804     0.826644 -0.139564    0.807788 0.82134  0.329792  0.686448 0.302577  
1 1 1 63 11 12 o 4.01906  0.0919427 16.2495      0.739046 15.7171      1.0588   16.7554      1.03205  3.93941  0.134386  4.07027  0.126779  
1 1 1 63 11 13 o 0.518588 0.24085   -0.477336    0.600808 -0.759864    0.861807 -0.210182    0.838032 0.603866 0.283029  0.682729 0.303666  
1 1 1 63 11 14 o 0.922781 0.297238  0.900076     0.622533 1.78844      0.910148 0.119075     0.85338  1.25865  0.349403  0.755141 0.321559  
1 1 1 63 11 15 o 0.752237 0.29306   0.419018     0.635194 1.02537      0.932798 -0.105254    0.867367 1.01087  0.362341  0.713942 0.314185  
1 1 1 63 11 16 o 0.983503 0.30014   1.05969      0.644294 0.710237     0.940461 1.36876      0.884456 0.918913 0.356881  1.10784  0.354036  
1 1 1 63 11 17 f 3.29899  0.121295  11.0291      0.800301 10.8326      1.09429  11.255       1.17344  3.24957  0.168375  3.30775  0.177377  
1 1 1 63 11 18 o 0.47676  0.23078   -1.01949     0.679996 -0.660901    0.985707 -1.3451      0.939289 0.661101 0.3076    0.560295 0.27122   
1 1 1 63 11 19 o 2.90873  0.141756  8.66119      0.82466  9.13421      1.09546  8.04252      1.25281  2.96324  0.184841  2.75323  0.227516  
1 1 1 63 11 20 o 0.631848 0.286863  -0.284753    0.786049 -1.2774      1.03366  1.07642      1.21043  0.600148 0.289312  1.03103  0.403959  
1 1 1 63 11 21 o 1.73074  0.235479  3.2269       0.815105 4.15059      1.08958  2.05298      1.22832  1.93299  0.281837  1.26711  0.417828  
1 1 1 63 11 22 o 1.29006  0.308941  1.97925      0.787768 1.75068      1.07007  2.2497       1.164    1.17105  0.389984  1.3087   0.404245  
1 1 1 63 11 23 o 0.979992 0.327017  1.16251      0.752415 0.0334818    1.00925  2.5752       1.12894  0.745326 0.332327  1.39167  0.390059  
1 1 1 63 11 24 o 1.37031  0.291523  2.24686      0.775051 2.09696      1.03955  2.43448      1.16298  1.24919  0.38125   1.32666  0.402923  
1 1 1 63 11 25 o 1.00731  0.35229   1.36121      0.876983 0.832907     1.21046  1.94492      1.27234  0.894217 0.381942  1.13063  0.420891  
1 1 1 63 11 26 o 0.927445 0.363676  1.15779      0.981474 1.11468      1.46527  1.19287      1.32181  0.939057 0.41083   0.94495  0.401225  
1 1 1 63 11 27 o 1.3765   0.344321  2.70232      0.946466 2.81086      1.36828  2.60274      1.31059  1.2347   0.439216  1.20142  0.429609  
1 1 1 63 11 28 o 0.600084 0.285338  -0.32662     0.930891 -0.951045    1.42187  0.141806     1.23151  0.64641  0.318018  0.713003 0.334954  
1 1 1 63 11 29 o 0.870845 0.369223  1.32547      1.11671  1.72254      1.6279   0.97254      1.53473  0.899584 0.409588  0.815158 0.381032  
1 1 1 63 12 0  f 3.9546   0.131479  15.7661      1.03729  15.7661      1.03729  15.7661      1.03729  3.96263  0.0926635 ?        ?         
1 1 1 63 12 1  o 4.32101  0.0826303 18.7428      0.714092 19.295       1.00352  18.1764      1.01636  4.37638  0.114652  4.24624  0.119678  
1 1 1 63 12 2  o 3.40979  0.0982104 11.6903      0.669753 13.0937      0.966608 10.3943      0.928867 3.60007  0.134248  3.20489  0.144914  
1 1 1 63 12 3  o 1.04086  0.271145  1.17023      0.570014 1.54451      0.847062 0.860473     0.770596 1.18694  0.339559  0.940911 0.330121  
1 1 1 63 12 4  o 2.92136  0.100553  8.58403      0.587504 8.60913      0.795359 8.55388      0.871575 2.91852  0.136261  2.90588  0.149967  
1 1 1 63 12 5  o 0.835126 0.266271  0.718533     0.500508 0.659132     0.67795  0.789696     0.742032 0.851808 0.308547  0.91109  0.323512  
1 1 1 63 12 6  o 4.65507  0.0815259 21.7547      0.759018 21.1786      1.06929  22.3398      1.07759  4.58364  0.116642  4.70832  0.114434  
1 1 1 63 12 7  o 5.33848  0.0799554 28.6093      0.85368  28.5332      1.23158  28.6797      1.18438  5.32008  0.115748  5.33545  0.110991  
1 1 1 63 12 8  o 1.74683  0.161856  3.1009       0.56547  3.3899       0.805274 2.81978      0.79423  1.81343  0.22203   1.6496   0.240734  
1 1 1 63 12 9  o 2.23903  0.135391  5.07224      0.606289 5.22574      0.867174 4.92545      0.847992 2.25924  0.191917  2.19299  0.193341  
1 1 1 63 12 10 o 1.68614  0.171174  2.89891      0.577246 2.58299      0.810516 3.22409      0.822311 1.5725   0.257716  1.76369  0.233122  
1 1 1 63 12 11 o 3.06975  0.107551  9.50144      0.66031  9.07549      0.938115 9.91969      0.929582 2.98634  0.157067  3.12495  0.148736  
1 1 1 63 12 12 o 1.48384  0.207029  2.27242      0.614395 1.33704      0.88241  3.15258      0.855965 1.1053   0.353667  1.7366   0.246449  
1 1 1 63 12 13 o 0.710871 0.284591  0.308777     0.612989 0.75213      0.889992 -0.0913689   0.845512 0.924982 0.350259  0.708588 0.311024  
1 1 1 63 12 14 f 2.85792  0.120991  8.26036      0.691567 7.85642      1.01438  8.61117      0.945314 2.76709  0.183293  2.90479  0.162716  
1 1 1 63 12 15 o 3.78687  0.105115  14.4783      0.79611  15.4424      1.12618  13.5153      1.12556  3.89454  0.144585  3.63876  0.154662  
1 1 1 63 12 16 o 1.37853  0.253043  2.06117      0.671599 1.4834       0.988769 2.55604      0.915076 1.14851  0.374877  1.51125  0.313283  
1 1 1 63 12 17 o 1.01127  0.307713  1.14318      0.677875 0.184478     0.957209 2.10772      0.960118 0.794294 0.339466  1.34422  0.352706  
1 1 1 63 12 18 o 1.04053  0.317604  1.23383      0.721406 0.964343     0.988809 1.5405       1.05483  0.978956 0.369634  1.14727  0.387198  
1 1 1 63 12 19 o 1.62486  0.238037  2.82518      0.773555 2.17513      0.973369 3.93956      1.27444  1.34792  0.355804  1.82234  0.36254   
1 1 1 63 12 20 o 1.28875  0.307067  1.93174      0.781311 2.12583      1.00433  1.63422      1.24346  1.31843  0.367376  1.16135  0.418143  
1 1 1 63 12 21 o 0.546902 0.261717  -0.880071    0.808084 -0.663847    1.17794  -1.07229     1.11063  0.710467 0.332616  0.642252 0.307221  
1 1 1 63 12 22 o 0.850368 0.323257  0.752722     0.760494 1.34082      1.02894  0.0446518    1.12902  1.04262  0.379875  0.783216 0.350295  
1 1 1 63 12 23 o 1.14592  0.337685  1.65696      0.825712 2.08395      1.20368  1.27743      1.13483  1.22639  0.413615  1.01907  0.392801  
1 1 1 63 12 24 o 2.32908  0.188147  5.85456      0.876419 6.49464      1.25734  5.24966      1.22229  2.36849  0.26543   2.10081  0.29091   
1 1 1 63 12 25 o 1.24669  0.351622  2.14871      0.914595 2.70236      1.33731  1.66219      1.25361  1.28647  0.435971  1.04735  0.410949  
1 1 1 63 12 26 o 1.95333  0.261325  4.5627       1.02091  7.06509      1.5595   2.68607      1.35051  2.30904  0.337696  1.25265  0.437261  
1 1 1 63 12 27 o 0.953411 0.359494  1.45751      0.934227 1.95037      1.3727   1.03226      1.27509  1.00472  0.416681  0.852465 0.377381  
1 1 1 63 12 28 o 0.681137 0.309647  0.263816     0.922519 1.77908      1.41126  -0.866764    1.21903  0.943614 0.407925  0.613102 0.299609  
1 1 1 63 12 29 o 0.741408 0.339045  0.800293     1.13612  -1.539       1.64686  2.92461      1.56937  0.607302 0.305576  0.996899 0.430554  
1 1 1 63 13 0  o 2.24007  0.199318  5.19222      0.876714 5.19222      0.876714 5.19222      0.876714 2.25985  0.13835   ?        ?         
1 1 1 63 13 1  o 2.48894  0.12288   6.2495       0.611683 5.85969      0.796603 6.80955      0.954839 2.40141  0.165861  2.58381  0.184774  
1 1 1 63 13 2  o 2.04004  0.146182  4.21394      0.596435 3.8713       0.854246 4.53984      0.833123 1.94013  0.220152  2.10663  0.197739  
1 1 1 63 13 3  o 2.00232  0.136474  4.05336      0.546529 3.882        0.746057 4.25183      0.802887 1.9493   0.191365  2.03878  0.196904  
1 1 1 63 13 4  o 0.851662 0.268652  0.753593     0.510508 0.982826     0.696794 0.487957     0.750083 0.97072  0.314647  0.818046 0.31851   
1 1 1 63 13 5  o 3.15837  0.0942334 10.029       0.595248 9.48883      0.82358  10.6198      0.8613   3.06355  0.134416  3.2414   0.132859  
1 1 1 63 13 6  o 2.55904  0.112392  6.59984      0.575231 6.97012      0.804088 6.2117       0.82325  2.62092  0.153398  2.47102  0.166581  
1 1 1 63 13 7  o 2.68825  0.1098    7.28197      0.590342 7.45461      0.825087 7.1009       0.845009 2.71028  0.152214  2.64321  0.159845  
1 1 1 63 13 8  o 1.79859  0.153203  3.28479      0.5511   3.93386      0.750898 2.52699      0.811354 1.95982  0.191573  1.53148  0.274868  
1 1 1 63 13 9  o 3.6783   0.0969306 13.6173      0.71308  14.0175      1.03581  13.2567      0.983139 3.71929  0.139249  3.6181   0.135864  
1 1 1 63 13 10 o 3.92408  0.0960021 15.5021      0.75344  13.5888      1.0988   17.2001      1.0351   3.65635  0.150259  4.12371  0.125506  
1 1 1 63 13 11 o 2.2714   0.137711  5.23266      0.625593 5.05729      0.882279 5.40999      0.887186 2.21619  0.199053  2.29403  0.193368  
1 1 1 63 13 12 o 3.30425  0.103212  11.0065      0.682078 10.9258      0.981036 11.0821      0.94897  3.27758  0.149659  3.30313  0.143647  
1 1 1 63 13 13 o 1.9796   0.161707  3.99825      0.640228 4.20671      0.932255 3.81218      0.880774 2.00949  0.231963  1.91354  0.230142  
1 1 1 63 13 14 o 3.76138  0.105749  14.2846      0.795522 16.352       1.15245  12.4029      1.09949  4.00827  0.143759  3.48464  0.157763  
1 1 1 63 13 15 o 1.75731  0.187088  3.18365      0.657544 4.10567      0.971358 2.40377      0.893348 1.97401  0.246036  1.46382  0.314198  
1 1 1 63 13 16 o 0.820795 0.307655  0.610913     0.682126 0.321372     0.978906 0.884205     0.95104  0.830997 0.348673  0.960849 0.362592  
1 1 1 63 13 17 o 1.14716  0.314519  1.51258      0.742872 1.114        0.968286 2.08285      1.15819  1.01891  0.368776  1.30721  0.403125  
1 1 1 63 13 18 o 1.54436  0.254477  2.57387      0.786008 3.404        1.03966  1.46639      1.20084  1.72656  0.31256   1.12824  0.41045   
1 1 1 63 13 19 o 0.984805 0.32951   1.0974       0.763932 0.512778     0.985316 1.97842      1.20957  0.858649 0.354372  1.25724  0.414626  
1 1 1 63 13 20 o 1.72979  0.229419  3.22145      0.793695 1.86351      1.05757  4.97256      1.20095  1.21892  0.386896  2.10931  0.284679  
1 1 1 63 13 21 o 1.25043  0.297017  1.84875      0.732763 1.91943      0.964314 1.75218      1.12722  1.23081  0.365518  1.16315  0.400105  
1 1 1 63 13 22 o 1.0844   0.340404  1.47536      0.820943 2.42289      1.16833  0.551271     1.15379  1.33461  0.403551  0.870754 0.372438  
1 1 1 63 13 23 o 2.61202  0.167905  7.21332      0.877143 6.07179      1.201    8.5183       1.2841   2.31034  0.259918  2.77112  0.231694  
1 1 1 63 13 24 o 0.786701 0.328666  0.561713     0.863815 -0.366361    1.25677  1.39275      1.18926  0.725677 0.34042   1.00328  0.398179  
1 1 1 63 13 25 o 1.04408  0.370643  1.58611      0.973933 0.861142     1.44959  2.18265      1.31493  0.899648 0.399799  1.15016  0.427934  
1 1 1 63 13 26 o 1.01923  0.367839  1.61615      0.962769 1.26643      1.4579   1.88661      1.2821   0.920568 0.406039  1.03998  0.413214  
1 1 1 63 13 27 o 0.610246 0.288601  -0.267919    0.940858 -1.05473     1.36851  0.437317     1.29563  0.629808 0.310225  0.756226 0.352168  
1 1 1 63 13 28 o 0.659287 0.311422  -0.0709157   1.09261  0.879696     1.55898  -0.988588    1.53173  0.809467 0.379622  0.65441  0.322756  
1 1 1 63 14 0  o 3.74189  0.128547  14.1214      0.959444 14.1214      0.959444 14.1214      0.959444 3.74987  0.0905798 ?        ?         
1 1 1 63 14 1  o 1.29127  0.235912  1.77313      0.586621 2.0629       0.788359 1.41365      0.87809  1.37586  0.29502   1.13946  0.350932  
1 1 1 63 14 2  o 3.6414   0.0971408 13.3365      0.707457 13.0309      1.00803  13.6332      0.993123 3.588    0.140473  3.67161  0.135244  
1 1 1 63 14 3  o 2.40137  0.11967   5.8177       0.574744 6.49279      0.781435 5.02216      0.848297 2.5293   0.154476  2.21579  0.191421  
1 1 1 63 14 4  o 1.60289  0.169953  2.61578      0.544832 2.95964      0.724194 2.16734      0.827022 1.69603  0.213496  1.40746  0.302491  
1 1 1 63 14 5  f 2.14439  0.129098  4.64746      0.553672 4.78514      0.760411 4.4921       0.807753 2.16608  0.175527  2.09449  0.192828  
1 1 1 63 14 6  o 2.92866  0.103138  8.63692      0.604115 8.07526      0.848115 9.21541      0.860721 2.82077  0.150334  3.01551  0.142715  
1 1 1 63 14 7  o 4.50722  0.0834742 20.4111      0.752474 20.8015      1.06242  20.018       1.0659   4.53983  0.117012  4.45256  0.119695  
1 1 1 63 14 8  o 3.36988  0.0939453 11.4274      0.633168 11.9156      0.863621 10.8599      0.931045 3.43267  0.125794  3.27201  0.142274  
1 1 1 63 14 9  f 0.641721 0.264205  0.172708     0.546387 -0.0485687   0.719405 0.474343     0.839937 0.663971 0.289195  0.836869 0.333843  
1 1 1 63 14 10 o 1.99489  0.142618  4.04058      0.569014 3.93036      0.740482 4.19952      0.889189 1.9563   0.189255  2.01263  0.220903  
1 1 1 63 14 11 o 3.40692  0.102476  11.7001      0.698253 12.1161      0.992767 11.2928      0.982273 3.45368  0.143726  3.33296  0.147358  
1 1 1 63 14 12 o 4.35076  0.0909238 19.0517      0.791174 19.3708      1.18013  18.7912      1.06629  4.37011  0.135023  4.3091   0.123726  
1 1 1 63 14 13 o 1.46551  0.209689  2.22953      0.614602 2.84918      0.889945 1.66452      0.849802 1.63654  0.271898  1.21118  0.338078  
1 1 1 63 14 14 o 1.36638  0.222247  1.94842      0.607348 2.09437      0.899501 1.82612      0.823377 1.3569   0.3334    1.27015  0.323231  
1 1 1 63 14 15 o 1.80097  0.21159   3.38636      0.762135 3.43695      0.954279 3.29725      1.26643  1.79277  0.266147  1.67101  0.386361  
1 1 1 63 14 16 o 1.33468  0.281298  1.99617      0.727394 2.41311      0.93688  1.36343      1.15415  1.44437  0.331208  1.10796  0.402458  
1 1 1 63 14 17 o 1.89968  0.20971   3.80054      0.796764 4.2298       1.06335  3.25099      1.20315  1.97228  0.269574  1.64523  0.374016  
1 1 1 63 14 18 o 1.29408  0.303904  1.9323       0.773995 2.48459      1.01896  1.179        1.19003  1.4392   0.355604  1.0509   0.402942  
1 1 1 63 14 19 o 1.01844  0.317324  1.20766      0.715167 1.72759      0.955713 0.546023     1.07811  1.18812  0.366154  0.881903 0.367727  
1 1 1 63 14 20 o 1.28793  0.305109  1.96359      0.774844 2.2654       1.05163  1.60516      1.14604  1.33407  0.377296  1.12898  0.401931  
1 1 1 63 14 21 o 0.840531 0.330335  0.699122     0.811122 1.92852      1.1746   -0.421532    1.12145  1.19439  0.408588  0.711491 0.329907  
1 1 1 63 14 22 o 0.834626 0.333515  0.676111     0.839625 0.881233     1.21581  0.489095     1.16091  0.938598 0.390881  0.856017 0.370016  
1 1 1 63 14 23 o 1.4603   0.307686  2.65105      0.870471 2.56209      1.274    2.72895      1.19213  1.30278  0.425526  1.3736   0.406061  
1 1 1 63 14 24 o 0.713368 0.312814  0.268598     0.853548 0.537897     1.25888  0.039463     1.16122  0.835331 0.371845  0.746345 0.341915  
1 1 1 63 14 25 o 0.784813 0.338318  0.559897     0.965518 0.895891     1.43407  0.281312     1.30582  0.893523 0.397337  0.794951 0.363512  
1 1 1 63 14 26 o 0.728063 0.327192  0.419165     0.995557 1.15012      1.44394  -0.243166    1.37449  0.871395 0.392687  0.707678 0.339298  
1 1 1 63 14 27 o 1.11346  0.383927  2.1905       1.03843  1.01696      1.47394  3.34707      1.46325  0.835186 0.383701  1.23819  0.452823  
1 1 1 63 14 28 o 0.591254 0.287822  -0.499177    1.08806  0.35763      1.56642  -1.29802     1.5125   0.717856 0.348171  0.604789 0.302064  
1 1 1 63 15 0  o 2.18393  0.198548  4.94511      0.850746 4.94511      0.850746 4.94511      0.850746 2.20434  0.137682  ?        ?         
1 1 1 63 15 1  o 1.67649  0.186797  2.874        0.626328 2.82731      0.862274 2.92615      0.91128  1.64511  0.262072  1.67066  0.272731  
1 1 1 63 15 2  o 1.68443  0.166095  2.88825      0.559553 3.17832      0.784867 2.58843      0.79795  1.75429  0.223699  1.57615  0.253132  
1 1 1 63 15 3  o 3.44191  0.0919579 11.9127      0.633022 12.1388      0.885711 11.6767      0.905059 3.46542  0.127793  3.39725  0.133205  
1 1 1 63 15 4  o 2.17417  0.133226  4.78314      0.579311 5.45856      0.780628 3.95521      0.864282 2.3144   0.168646  1.95705  0.220812  
1 1 1 63 15 5  o 1.11058  0.254434  1.33562      0.553291 1.18453      0.751595 1.51436      0.817496 1.0464   0.325159  1.16903  0.333308  
1 1 1 63 15 6  o 3.90475  0.090996  15.337       0.710634 16.1809      0.982668 14.4118      1.0289   4.00117  0.122798  3.77144  0.136407  
1 1 1 63 15 7  o 0.771568 0.280334  0.540353     0.560008 0.983233     0.729871 -0.0935568   0.873207 0.968599 0.32208   0.72013  0.316083  
1 1 1 63 15 8  o 3.07867  0.107093  9.55974      0.659408 10.9791      0.898806 7.90534      0.970388 3.29057  0.136573  2.78012  0.174522  
1 1 1 63 15 9  o 0.590753 0.256352  -0.0364039   0.561342 0.0195364    0.697842 -0.13896     0.944877 0.669282 0.288058  0.73903  0.326306  
1 1 1 63 15 10 o 5.07904  0.0833361 25.9339      0.846535 26.5917      1.16288  25.1923      1.23471  5.13151  0.113308  4.98999  0.123719  
1 1 1 63 15 11 o 2.2781   0.15807   5.29346      0.720197 6.42139      0.907684 3.37659      1.18329  2.50133  0.18144   1.72788  0.354599  
1 1 1 63 15 12 o 0.878303 0.327731  0.706394     0.772338 1.77037      1.08336  -0.39324     1.10136  1.24018  0.391375  0.749868 0.340163  
1 1 1 63 15 13 o 1.96731  0.207547  4.01759      0.816616 4.10246      1.10523  3.91554      1.21186  1.95754  0.282301  1.86571  0.337124  
1 1 1 63 15 14 o 3.41844  0.120141  11.8512      0.821388 11.9119      1.02879  11.7444      1.36415  3.41373  0.150684  3.36009  0.202993  
1 1 1 63 15 15 o 0.969913 0.318987  1.03688      0.71592  1.5683       0.887162 0.044687     1.21223  1.16059  0.351801  0.84324  0.371256  
1 1 1 63 15 16 o 2.33248  0.167518  5.62269      0.781467 5.55058      1.017    5.72664      1.22111  2.28973  0.222078  2.29848  0.265635  
1 1 1 63 15 17 o 2.7559   0.143236  7.7902       0.789489 8.31729      1.07364  7.16965      1.16495  2.82054  0.190325  2.59685  0.224301  
1 1 1 63 15 18 o 0.723915 0.296831  0.324082     0.686872 0.0213335    0.921648 0.702309     1.03015  0.735948 0.323868  0.90769  0.366623  
1 1 1 63 15 19 o 1.37884  0.303179  2.23105      0.813414 2.10668      1.14091  2.35962      1.16001  1.27627  0.401428  1.35002  0.400889  
1 1 1 63 15 20 o 0.613484 0.281131  -0.316043    0.785684 -0.00672994  1.12863  -0.606881    1.09441  0.775203 0.348376  0.681445 0.31931   
1 1 1 63 15 21 o 0.573368 0.269769  -0.604173    0.804805 -1.02533     1.15398  -0.205337    1.12298  0.64932  0.311215  0.738827 0.337538  
1 1 1 63 15 22 o 1.651    0.260387  3.12158      0.859795 4.03649      1.2524   2.30597      1.18248  1.75426  0.368648  1.268    0.409779  
1 1 1 63 15 23 o 0.64449  0.294346  -0.141322    0.853216 0.0436508    1.2371   -0.30913     1.17831  0.769403 0.352659  0.710859 0.332776  
1 1 1 63 15 24 o 0.68605  0.307599  0.111253     0.875368 -0.328656    1.3224   0.454354     1.16787  0.731024 0.344488  0.804204 0.358065  
1 1 1 63 15 25 o 0.823801 0.348723  0.862379     0.993561 1.05511      1.43092  0.68295      1.38065  0.880239 0.394005  0.827325 0.376826  
1 1 1 63 15 26 o 1.0254   0.377487  1.85666      1.01832  3.37945      1.50017  0.555425     1.38674  1.22899  0.457119  0.776031 0.36253   
1 1 1 63 15 27 o 0.704567 0.321477  0.368697     1.01449  -1.94123     1.40213  2.90657      1.46968  0.574268 0.287134  1.11639  0.442776  
1 1 1 63 16 0  f 3.96158  0.130212  15.837       1.02917  15.837       1.02917  15.837       1.02917  3.97061  0.0917503 ?        ?         
1 1 1 63 16 1  o 1.09162  0.270545  1.29981      0.588433 0.647183     0.868608 1.85336      0.799964 0.89322  0.343785  1.29377  0.312269  
1 1 1 63 16 2  o 1.16714  0.24539   1.46886      0.554685 1.89259      0.776449 1.02722      0.79269  1.31053  0.302202  0.994418 0.335655  
1 1 1 63 16 3  o 2.87805  0.102617  8.34568      0.590674 8.59783      0.818733 8.07198      0.852998 2.91171  0.140593  2.81815  0.15134   
1 1 1 63 16 4  o 1.11752  0.248308  1.3525       0.540405 0.983275     0.752376 1.74598      0.7767   0.972218 0.327008  1.25411  0.310832  
1 1 1 63 16 5  f 3.65408  0.0919022 13.4364      0.671635 13.72        0.957385 13.1615      0.942461 3.681    0.130044  3.60507  0.130713  
1 1 1 63 16 6  f 1.14276  0.255374  1.4191       0.568834 1.46128      0.774059 1.36956      0.838733 1.14651  0.323518  1.11388  0.342961  
1 1 1 63 16 7  o 2.95275  0.109554  8.79784      0.646969 9.34841      0.868641 8.11191      0.96956  3.03409  0.143147  2.81675  0.172106  
1 1 1 63 16 8  o 0.989868 0.270541  1.06894      0.550713 1.69651      0.697652 0.0313148    0.897067 1.24162  0.286554  0.753054 0.325383  
1 1 1 63 16 9  o 3.49514  0.11833   12.3478      0.82716  13.6546      1.11544  10.7514      1.23292  3.66259  0.152275  3.2339   0.190624  
1 1 1 63 16 10 o 2.33388  0.184333  5.59981      0.860422 5.99694      1.27957  5.27202      1.16248  2.37898  0.268933  2.23462  0.260107  
1 1 1 63 16 11 o 2.00406  0.206398  4.16612      0.827268 4.05102      1.16825  4.28188      1.17162  1.93722  0.301528  1.99548  0.29357   
1 1 1 63 16 12 o 2.63364  0.163576  7.10034      0.861605 7.17174      1.25179  7.03607      1.18772  2.61223  0.239602  2.59284  0.229038  
1 1 1 63 16 13 o 2.364    0.190189  5.78857      0.899214 5.643        1.25934  5.93998      1.28439  2.29187  0.274741  2.35244  0.272991  
1 1 1 63 16 14 o 1.97458  0.202428  4.07365      0.799422 2.29884      1.16447  5.65576      1.09944  1.37554  0.399637  2.30755  0.238226  
1 1 1 63 16 15 o 0.829667 0.321146  0.601961     0.760231 1.29976      1.16325  0.0817184    1.00441  1.08573  0.402789  0.781818 0.341105  
1 1 1 63 16 16 o 3.57757  0.131015  13.073       0.937434 14.0481      1.31046  12.0511      1.34155  3.67589  0.178251  3.38961  0.197892  
1 1 1 63 16 17 o 1.6256   0.205266  2.79135      0.667362 2.77745      0.85506  2.81302      1.06748  1.56681  0.283251  1.52852  0.355572  
1 1 1 63 16 18 o 1.0006   0.334102  1.17146      0.785373 1.75346      1.1554   0.671573     1.07079  1.1779   0.405085  0.901295 0.370266  
1 1 1 63 16 19 o 1.5947   0.261726  2.83618      0.834747 1.46412      1.21552  4.0608       1.14836  1.08505  0.409785  1.87137  0.306823  
1 1 1 63 16 20 o 0.624482 0.284821  -0.253677    0.794587 -1.19611     1.13944  0.638462     1.10862  0.628083 0.303018  0.879141 0.370066  
1 1 1 63 16 21 o 1.35509  0.309884  2.24841      0.821955 3.5118       1.18526  1.07792      1.14085  1.64256  0.369724  0.965913 0.387602  
1 1 1 63 16 22 o 1.49059  0.309876  2.78671      0.89311  3.62504      1.33576  2.10894      1.20105  1.57019  0.417879  1.18379  0.412439  
1 1 1 63 16 23 o 1.49039  0.298601  2.80341      0.858658 1.52453      1.25778  3.91964      1.17508  1.01103  0.406452  1.69515  0.357728  
1 1 1 63 16 24 o 0.839082 0.349306  0.831692     0.970364 1.62997      1.43367  0.156823     1.3182   1.00525  0.421883  0.777361 0.359387  
1 1 1 63 16 25 o 0.699901 0.320403  0.227487     1.01761  -0.314221    1.46779  0.728848     1.41207  0.711629 0.343471  0.81196  0.374076  
1 1 1 63 16 26 o 1.05451  0.386089  2.00288      1.064    0.306047     1.52859  3.59775      1.48196  0.764197 0.364323  1.29076  0.457304  
1 1 1 63 16 27 o 0.837803 0.355323  1.35367      1.03473  2.77903      1.55497  0.220939     1.38619  0.978312 0.425626  0.689362 0.332965  
1 1 1 63 17 0  o 1.65937  0.288019  3.06106      0.869534 3.06106      0.869534 3.06106      0.869534 1.7102   0.184682  ?        ?         
1 1 1 63 17 1  o 3.45156  0.0987275 12.0001      0.681528 11.993       0.992559 12.0065      0.937453 3.43646  0.144416  3.44131  0.136206  
1 1 1 63 17 2  f 1.12653  0.261789  1.38309      0.579111 1.42133      0.783906 1.33715      0.859242 1.13179  0.327595  1.10365  0.348575  
1 1 1 63 17 3  o 1.28384  0.213513  1.70472      0.548234 2.92172      0.769388 0.449453     0.781393 1.67649  0.229464  0.811349 0.32252   
1 1 1 63 17 4  o 3.23369  0.0976561 10.532       0.631579 11.9719      0.913864 9.2154       0.873855 3.4372   0.132937  3.01186  0.145069  
1 1 1 63 17 5  o 3.70769  0.0939401 13.839       0.696602 13.2619      1.02519  14.334       0.949456 3.61419  0.141828  3.76335  0.126145  
1 1 1 63 17 6  o 3.10549  0.098858  9.71606      0.614006 9.89592      0.868766 9.53655      0.867906 3.12277  0.139102  3.06473  0.141596  
1 1 1 63 17 7  o 2.9879   0.102651  8.99992      0.613419 9.02352      0.829996 8.97151      0.910607 2.98175  0.139179  2.96847  0.15338   
1 1 1 63 17 8  o 2.59834  0.1474    6.86942      0.765991 7.05338      1.15807  6.72635      1.02132  2.60456  0.222316  2.55276  0.200043  
1 1 1 63 17 9  o 0.857994 0.324387  0.646655     0.762377 0.470253     1.19381  0.768138     0.990699 0.930091 0.387333  0.946211 0.366535  
1 1 1 63 17 10 o 0.735808 0.308318  0.200875     0.763707 0.110496     1.19058  0.264062     0.995501 0.860806 0.373435  0.829875 0.350067  
1 1 1 63 17 11 o 0.530784 0.253549  -0.887944    0.749834 -1.98509     1.09629  0.0765107    1.02786  0.569111 0.279749  0.801563 0.347345  
1 1 1 63 17 12 o 1.11135  0.325293  1.40468      0.768732 3.0491       1.1683   0.149138     1.02086  1.61301  0.369845  0.80837  0.348169  
1 1 1 63 17 13 o 2.07242  0.191681  4.46904      0.794487 4.01371      1.14315  4.89446      1.10497  1.91108  0.299086  2.13465  0.258817  
1 1 1 63 17 14 o 0.623103 0.281517  -0.249592    0.746847 -1.13847     1.09079  0.534852     1.02471  0.638773 0.305295  0.879652 0.361933  
1 1 1 63 17 15 o 0.452096 0.223664  -1.56857     0.750042 -1.88701     1.14741  -1.33098     0.991113 0.587893 0.288085  0.57826  0.279688  
1 1 1 63 17 16 o 1.78834  0.219898  3.40308      0.786505 3.20464      1.14557  3.58003      1.08175  1.63139  0.360718  1.75863  0.319327  
1 1 1 63 17 17 o 1.19335  0.320464  1.69773      0.781167 0.297631     1.14822  2.90417      1.06585  0.846727 0.36702   1.54628  0.352379  
1 1 1 63 17 18 o 3.41625  0.140143  12.0458      0.957528 11.7382      1.3493   12.3579      1.35905  3.31464  0.203537  3.40523  0.199552  
1 1 1 63 17 19 o 0.760446 0.317783  0.39194      0.807891 0.5387       1.1836   0.263919     1.10546  0.875117 0.375856  0.810267 0.355644  
1 1 1 63 17 20 o 1.74978  0.244354  3.41655      0.855134 2.83416      1.23117  3.95939      1.18863  1.43182  0.409293  1.77899  0.346437  
1 1 1 63 17 21 o 1.72656  0.246022  3.3948       0.849543 3.81272      1.2379   3.02274      1.16801  1.67964  0.377689  1.47109  0.39042   
1 1 1 63 17 22 o 0.941798 0.357277  1.18827      0.927408 0.952338     1.31561  1.42132      1.30754  0.910598 0.393758  0.995599 0.409106  
1 1 1 63 17 23 o 0.772824 0.328594  0.550572     0.888749 0.729637     1.29647  0.391824     1.22071  0.860469 0.380778  0.799475 0.360626  
1 1 1 63 17 24 o 0.897009 0.359491  1.23441      0.979581 0.630461     1.41442  1.79113      1.35798  0.812469 0.374339  0.986759 0.412158  
1 1 1 63 17 25 o 0.817337 0.352926  0.992691     1.05404  2.45792      1.4843   -0.497839    1.49707  1.04001  0.432425  0.687258 0.335102  
1 1 1 63 17 26 o 0.790139 0.344888  0.8999       1.02776  2.70547      1.55605  -0.497287    1.36882  1.04554  0.439189  0.660438 0.321737  
1 1 1 63 18 0  o 5.69274  0.137532  32.6966      1.56381  32.6966      1.56381  32.6966      1.56381  5.70543  0.0969688 ?        ?         
1 1 1 63 18 1  o 5.00928  0.0812905 25.2192      0.814414 25.1152      1.16948  25.317       1.13482  4.98544  0.117289  5.00716  0.113319  
1 1 1 63 18 2  f 0.897771 0.285728  0.852621     0.576518 0.825187     0.78199  0.885288     0.853309 0.922913 0.331666  0.955964 0.34617   
1 1 1 63 18 3  o 2.56949  0.113434  6.66727      0.582935 7.66699      0.799536 5.53278      0.851727 2.74674  0.145543  2.32247  0.183367  
1 1 1 63 18 4  o 0.842617 0.277536  0.732256     0.541946 0.921844     0.743848 0.517765     0.791194 0.947743 0.325118  0.832178 0.326484  
1 1 1 63 18 5  o 3.1322   0.100644  9.88792      0.630476 10.6876      0.90485  9.13338      0.878969 3.24473  0.139434  2.99718  0.146633  
1 1 1 63 18 6  o 2.63658  0.107889  7.01721      0.568917 8.126        0.785999 5.79708      0.824524 2.82856  0.13894   2.37892  0.173298  
1 1 1 63 18 7  o 1.05467  0.314862  1.2323       0.71428  1.8597       1.05228  0.696194     0.9727   1.27012  0.38277   0.924203 0.36212   
1 1 1 63 18 8  o 1.92559  0.196765  3.8338       0.757777 4.41826      1.1197   3.33989      1.02931  2.03563  0.275025  1.76294  0.291932  
1 1 1 63 18 9  o 2.80842  0.146462  8.03677      0.822653 8.38448      1.20993  7.73783      1.12186  2.83904  0.213089  2.73112  0.205386  
1 1 1 63 18 10 o 0.882927 0.326563  0.739026     0.763476 0.379924     1.11684  1.05406      1.04607  0.885527 0.372031  1.02606  0.381701  
1 1 1 63 18 11 o 2.4717   0.164623  6.28101      0.813801 4.84245      1.15298  7.70916      1.1488   2.12119  0.271777  2.71453  0.211603  
1 1 1 63 18 12 f 0.796365 0.319366  0.459376     0.773838 -0.504954    1.09268  1.42972      1.09608  0.719576 0.330495  1.1187   0.393594  
1 1 1 63 18 13 o 0.738886 0.307974  0.270569     0.755752 0.069592     1.10614  0.446521     1.03499  0.810748 0.355806  0.862625 0.360032  
1 1 1 63 18 14 o 1.90504  0.201844  3.81349      0.769043 2.54644      1.13556  4.88698      1.04523  1.43979  0.386257  2.13218  0.245108  
1 1 1 63 18 15 o 0.685797 0.29908   0.0330357    0.771458 -0.467227    1.19377  0.391771     1.0109   0.749345 0.344704  0.837427 0.352984  
1 1 1 63 18 16 o 1.12765  0.324738  1.51642      0.772219 0.571704     1.10941  2.40432      1.07554  0.890669 0.37231   1.38619  0.377734  
1 1 1 63 18 17 o 0.990552 0.334197  1.15853      0.785821 1.69848      1.1347   0.660903     1.08933  1.15141  0.400911  0.894685 0.371127  
1 1 1 63 18 18 o 1.78196  0.234532  3.49329      0.835851 2.99589      1.2195   3.93398      1.14789  1.49677  0.399709  1.79704  0.331856  
1 1 1 63 18 19 o 0.91787  0.339725  0.975368     0.826553 0.933787     1.17214  1.0165       1.16573  0.945104 0.387682  0.961451 0.389316  
1 1 1 63 18 20 o 0.776727 0.323685  0.492514     0.834588 0.245193     1.24792  0.692646     1.12257  0.817828 0.366961  0.871275 0.369838  
1 1 1 63 18 21 o 1.41335  0.326405  2.59966      0.904712 2.13037      1.34408  2.98842      1.22334  1.1543   0.432019  1.41384  0.409242  
1 1 1 63 18 22 o 0.637672 0.295555  -0.233125    0.898851 0.335419     1.27819  -0.789338    1.26426  0.804452 0.36538   0.672059 0.32299   
1 1 1 63 18 23 f 0.897507 0.354053  1.14658      0.935045 1.77271      1.30741  0.490995     1.33782  1.01741  0.412164  0.808227 0.368898  
1 1 1 63 18 24 o 0.647832 0.303885  -0.0966284   1.00097  -1.59228     1.4183   1.38766      1.4129   0.607025 0.301666  0.892235 0.395831  
1 1 1 63 18 25 o 0.783473 0.342899  0.783901     1.0216   1.00325      1.46208  0.574645     1.42805  0.834826 0.382956  0.782774 0.366425  
1 1 1 63 18 26 o 0.741105 0.33394   0.886836     1.04396  0.13104      1.48568  1.62402      1.46727  0.678348 0.331323  0.817935 0.378533  
1 1 1 63 19 0  o 5.27131  0.12463   28.0045      1.31227  28.0045      1.31227  28.0045      1.31227  5.28164  0.0878981 ?        ?         
1 1 1 63 19 1  o 3.35443  0.0988204 11.3399      0.662972 12.4104      0.950273 10.3247      0.925391 3.49718  0.135863  3.18651  0.145205  
1 1 1 63 19 2  o 0.760057 0.281683  0.507425     0.568616 0.316102     0.771677 0.734714     0.841089 0.770278 0.315028  0.906126 0.341234  
1 1 1 63 19 3  o 1.94233  0.142439  3.83572      0.553329 3.80569      0.766512 3.8684       0.799587 1.91959  0.199655  1.9331   0.206814  
1 1 1 63 19 4  o 2.91872  0.103787  8.59672      0.605849 8.36233      0.841531 8.84893      0.872932 2.86577  0.146825  2.94752  0.148079  
1 1 1 63 19 5  o 4.36167  0.0839216 19.1412      0.732076 19.3188      1.02834  18.9587      1.04242  4.36905  0.117685  4.32692  0.120458  
1 1 1 63 19 6  o 1.18058  0.2537    1.52295      0.581808 2.05573      0.746014 0.695826     0.929527 1.36505  0.282784  0.912223 0.354694  
1 1 1 63 19 7  o 1.91801  0.195928  3.80349      0.751582 3.30788      1.10641  4.22814      1.02414  1.71337  0.33482   1.99899  0.256165  
1 1 1 63 19 8  o 2.80038  0.146646  7.9984       0.82133  7.97233      1.15938  8.02467      1.1637   2.76784  0.209438  2.77686  0.209536  
1 1 1 63 19 9  o 0.770024 0.314864  0.345282     0.770732 0.626315     1.0891   0.0633401    1.09086  0.926702 0.375868  0.81529  0.355597  
1 1 1 63 19 10 o 1.21511  0.319463  1.69635      0.786676 1.51327      1.16926  1.84776      1.06333  1.15124  0.406371  1.24659  0.386634  
1 1 1 63 19 11 o 0.702282 0.303035  0.0754084    0.776073 -0.386541    1.08712  0.555489     1.10825  0.733793 0.334266  0.906576 0.375092  
1 1 1 63 19 12 o 0.771541 0.316347  0.371302     0.780127 0.352127     1.10543  0.390328     1.10112  0.860938 0.366275  0.8673   0.367123  
1 1 1 63 19 13 o 1.84107  0.210372  3.57736      0.774618 2.96758      1.09257  4.19366      1.09841  1.57887  0.354685  1.95326  0.281172  
1 1 1 63 19 14 o 0.594628 0.274963  -0.460028    0.772148 -0.7055      1.12205  -0.239211    1.06421  0.694474 0.325039  0.739921 0.335079  
1 1 1 63 19 15 o 0.809505 0.322837  0.547118     0.785268 0.951599     1.11146  0.143971     1.10962  0.973646 0.385402  0.810862 0.356107  
1 1 1 63 19 16 o 0.660664 0.29397   -0.0758571   0.78607  -0.289597    1.09676  0.149913     1.1272   0.731134 0.333836  0.808192 0.356679  
1 1 1 63 19 17 o 0.815177 0.326674  0.603925     0.808825 1.07992      1.20475  0.213329     1.09134  0.9868   0.397343  0.799305 0.352084  
1 1 1 63 19 18 f 2.04263  0.207953  4.5156       0.849541 4.12297      1.22059  4.88452      1.18315  1.81861  0.347996  2.05479  0.287901  
1 1 1 63 19 19 o 1.52628  0.28041   2.76169      0.823972 2.23736      1.18925  3.24577      1.14269  1.25075  0.411129  1.56778  0.369955  
1 1 1 63 19 20 o 0.827393 0.338304  0.716118     0.889705 -0.509903    1.26976  1.89861      1.24702  0.71328  0.336546  1.11868  0.416634  
1 1 1 63 19 21 o 1.40076  0.325175  2.58795      0.89424  2.29014      1.33839  2.82811      1.20189  1.17389  0.432705  1.3553   0.409205  
1 1 1 63 19 22 o 0.840296 0.35087   0.825367     0.983658 -0.402612    1.35224  2.20539      1.43352  0.722329 0.343673  1.11806  0.439231  
1 1 1 63 19 23 o 0.971156 0.363457  1.53718      0.951296 1.42201      1.38798  1.63921      1.30639  0.911103 0.399214  0.95195  0.401265  
1 1 1 63 19 24 o 0.868364 0.353175  1.21046      0.964485 2.66395      1.41641  -0.04614     1.31699  1.1022   0.435456  0.703633 0.336094  
1 1 1 63 19 25 o 0.914571 0.365887  1.55742      1.01221  2.01109      1.45828  1.13563      1.40612  0.927667 0.407816  0.812106 0.373798  
1 1 1 63 20 0  o 3.56433  0.144763  12.883       1.0281   12.883       1.0281   12.883       1.0281   3.57689  0.101808  ?        ?         
1 1 1 63 20 1  o 2.08552  0.14723   4.43207      0.614105 4.92146      0.866957 3.93924      0.870001 2.18106  0.198747  1.94258  0.223929  
1 1 1 63 20 2  o 3.26938  0.101942  10.7863      0.666572 12.0212      0.941801 9.54686      0.943551 3.439    0.136929  3.05805  0.154273  
1 1 1 63 20 3  o 2.07237  0.135947  4.36456      0.563465 3.32392      0.767032 5.58442      0.830461 1.78731  0.214578  2.33081  0.178149  
1 1 1 63 20 4  o 2.19059  0.129556  4.86978      0.567608 4.99386      0.800632 4.7444       0.804822 2.20275  0.181734  2.14504  0.187601  
1 1 1 63 20 5  o 3.18933  0.0962009 10.2562      0.613633 11.2337      0.880605 9.3335       0.855553 3.32559  0.132399  3.02804  0.141271  
1 1 1 63 20 6  o 1.04339  0.312991  1.21424      0.704676 1.22497      1.04987  1.20543      0.950631 1.07345  0.384443  1.05633  0.367037  
1 1 1 63 20 7  o 1.61857  0.228412  2.75627      0.739402 3.19235      1.0429   2.31552      1.04846  1.68162  0.321573  1.40377  0.368689  
1 1 1 63 20 8  o 1.92122  0.199722  3.8465       0.76742  4.16493      1.07117  3.51069      1.1      1.96544  0.2725    1.75844  0.325003  
1 1 1 63 20 9  o 1.7764   0.218219  3.32399      0.775289 3.81508      1.08832  2.818        1.10471  1.86591  0.291633  1.54206  0.36367   
1 1 1 63 20 10 o 3.44078  0.132739  12.0846      0.913455 11.6748      1.31147  12.4709      1.27303  3.34198  0.196211  3.46326  0.183791  
1 1 1 63 20 11 o 0.564901 0.264425  -0.578376    0.743389 -0.0744834   1.04904  -1.08665     1.05359  0.76655  0.340447  0.629286 0.300589  
1 1 1 63 20 12 f 0.985567 0.323755  1.09897      0.737481 0.891851     1.07537  1.28287      1.0133   0.966637 0.38021   1.06145  0.377934  
1 1 1 63 20 13 o 2.12423  0.187836  4.72604      0.798013 3.87994      1.19974  5.39742      1.06871  1.81261  0.343412  2.23884  0.238676  
1 1 1 63 20 14 o 0.703604 0.301356  0.160009     0.75721  0.686111     1.09774  -0.317542    1.04586  0.911589 0.374763  0.716898 0.326916  
1 1 1 63 20 15 o 0.893676 0.329815  0.862413     0.777902 0.136803     1.10204  1.583        1.09821  0.799244 0.35271   1.12088  0.394016  
1 1 1 63 20 16 o 1.78366  0.230268  3.48472      0.82144  2.638        1.12855  4.43878      1.19794  1.4145   0.387588  1.94728  0.307593  
1 1 1 63 20 17 o 2.0626   0.214485  4.62493      0.884795 4.24757      1.2538   4.99928      1.24879  1.84242  0.352844  2.06539  0.302313  
1 1 1 63 20 18 o 2.26814  0.210146  5.60998      0.953278 6.22673      1.26326  4.79424      1.45281  2.3254   0.271622  1.89034  0.396905  
1 1 1 63 20 19 o 0.832727 0.333421  0.750181     0.841545 0.441991     1.17508  1.07468      1.20577  0.823909 0.363823  0.94242  0.390664  
1 1 1 63 20 20 o 1.55478  0.30001   3.04727      0.899605 3.21832      1.31151  2.89527      1.23629  1.42906  0.426653  1.36493  0.415604  
1 1 1 63 20 21 o 1.33065  0.33427   2.40637      0.889161 1.49665      1.27724  3.26185      1.23858  0.993308 0.405609  1.45383  0.408912  
1 1 1 63 20 22 o 0.767297 0.335036  0.630133     0.970588 0.724849     1.37792  0.536859     1.36738  0.821459 0.37477   0.796764 0.367468  
1 1 1 63 20 23 o 1.66241  0.30648   3.82217      0.980754 3.86809      1.38693  3.77624      1.38706  1.40186  0.44287   1.3776   0.443676  
1 1 1 63 20 24 o 0.600312 0.287714  -0.40334     0.986019 0.284326     1.39464  -1.0906      1.39424  0.739185 0.350424  0.625531 0.308373  
1 1 1 63 20 25 o 0.863099 0.364355  1.58394      1.07976  1.61019      1.57229  1.5605       1.48544  0.808515 0.379547  0.809216 0.376937  
1 1 1 63 21 0  o 2.25106  0.2113    5.30034      0.932036 5.30034      0.932036 5.30034      0.932036 2.27737  0.146073  ?        ?         
1 1 1 63 21 1  o 0.969573 0.286953  1.03408      0.595014 0.951574     0.828262 1.12208      0.855345 0.962758 0.341799  1.02104  0.348668  
1 1 1 63 21 2  o 1.59897  0.184669  2.63873      0.590559 3.24919      0.816791 1.97004      0.854864 1.75854  0.232236  1.31496  0.32621   
1 1 1 63 21 3  o 3.82845  0.0924119 14.7775      0.70759  15.6464      0.961072 13.749       1.04563  3.92745  0.122353  3.67242  0.142363  
1 1 1 63 21 4  o 0.954915 0.28542   1.00592      0.586711 0.85947      0.744257 1.24633      0.953585 0.916061 0.324125  1.06578  0.367867  
1 1 1 63 21 5  o 1.40738  0.213779  2.07403      0.601739 1.93243      0.770407 2.29558      0.963635 1.30824  0.300582  1.40635  0.344791  
1 1 1 63 21 6  o 1.0671   0.317356  1.29251      0.726579 2.43253      1.03451  0.182694     1.02071  1.43686  0.360318  0.8115   0.348802  
1 1 1 63 21 7  f 0.973119 0.323325  1.04527      0.735524 -0.502436    1.0453   2.56305      1.03515  0.703161 0.32308   1.47415  0.354848  
1 1 1 63 21 8  f 0.966832 0.328997  1.02678      0.761555 1.8468       1.08322  0.225332     1.07088  1.23708  0.391447  0.829575 0.356942  
1 1 1 63 21 9  o 0.71549  0.303633  0.176586     0.75632  1.12346      1.07231  -0.760772    1.06691  1.02856  0.385696  0.672772 0.315251  
1 1 1 63 21 10 o 2.57744  0.161364  6.85836      0.831811 5.36517      1.21979  8.15633      1.13726  2.21411  0.275458  2.7846   0.204205  
1 1 1 63 21 11 o 0.885695 0.320886  0.813472     0.733291 0.553035     1.06445  1.0487       1.01163  0.886634 0.367269  0.995071 0.37433   
1 1 1 63 21 12 o 2.46405  0.162217  6.29073      0.799423 6.0759       1.20068  6.46181      1.07144  2.36219  0.254145  2.4631   0.217497  
1 1 1 63 21 13 o 1.94847  0.202943  4.0305       0.790856 5.5404       1.19862  2.8664       1.05246  2.23733  0.267869  1.53594  0.35025   
1 1 1 63 21 14 o 3.23187  0.139351  10.7726      0.900732 11.4046      1.24966  10.0892      1.29945  3.2815   0.19041   3.06612  0.211905  
1 1 1 63 21 15 o 1.03373  0.335727  1.31428      0.79303  1.11538      1.11669  1.51665      1.12641  0.986409 0.387617  1.08711  0.397325  
1 1 1 63 21 16 o 0.882449 0.334375  0.857103     0.811542 1.04503      1.16719  0.681231     1.12915  0.970552 0.390976  0.889793 0.373961  
1 1 1 63 21 17 f 1.35211  0.313459  2.25143      0.831848 1.36971      1.14363  3.242        1.21218  1.03199  0.395207  1.55022  0.390813  
1 1 1 63 21 18 o 0.608194 0.28372   -0.391704    0.845542 0.317678     1.22117  -1.045       1.1719   0.814582 0.364317  0.636644 0.307187  
1 1 1 63 21 19 o 2.13383  0.21676   5.12291      0.92506  3.93207      1.29461  6.36524      1.3223   1.64728  0.397033  2.28231  0.289684  
1 1 1 63 21 20 o 0.800098 0.33487   0.661725     0.899235 0.800549     1.26437  0.519629     1.27918  0.870185 0.381156  0.827953 0.371516  
1 1 1 63 21 21 o 1.23465  0.36118   2.30886      0.947959 2.1769       1.28838  2.46461      1.39977  1.09433  0.419359  1.13385  0.436415  
1 1 1 63 21 22 o 1.87868  0.279037  4.59946      1.04845  4.14651      1.49302  5.04013      1.47264  1.42973  0.460295  1.68212  0.434714  
1 1 1 63 21 23 o 0.581964 0.281324  -0.650276    0.99744  -2.09761     1.36265  1.02033      1.46398  0.564342 0.282171  0.838692 0.384091  
1 1 1 63 21 24 o 0.923241 0.369922  1.75762      1.03693  0.0880358    1.49585  3.30208      1.43871  0.686078 0.334605  1.10687  0.438374  
1 1 1 63 22 0  o 0.540485 0.352936  0.0616073    0.902956 0.0616073    0.902956 0.0616073    0.902956 0.463714 0.300429  ?        ?         
1 1 1 63 22 1  o 2.25463  0.143584  5.19459      0.647457 5.52633      0.886209 4.8148       0.948216 2.30615  0.192141  2.13931  0.221617  
1 1 1 63 22 2  o 0.841124 0.296785  0.717059     0.623606 -0.254421    0.823292 2.02464      0.955149 0.658063 0.296536  1.31257  0.355206  
1 1 1 63 22 3  o 0.997923 0.284761  1.11673      0.596456 1.0579       0.744788 1.22193      0.995955 0.979706 0.325355  1.05517  0.374786  
1 1 1 63 22 4  o 2.64114  0.118545  7.08534      0.626186 8.36693      0.80644  5.13937      0.993723 2.86079  0.140947  2.20494  0.22534   
1 1 1 63 22 5  o 2.33434  0.158607  5.60637      0.740488 5.36226      1.03981  5.85754      1.05476  2.24752  0.231325  2.35321  0.224111  
1 1 1 63 22 6  o 1.37236  0.277452  2.11105      0.734896 1.49231      1.03628  2.73705      1.04235  1.1304   0.383778  1.5243   0.349227  
1 1 1 63 22 7  o 0.520457 0.249586  -0.906949    0.744716 -1.60827     1.06712  -0.241099    1.03979  0.582591 0.283861  0.736748 0.332553  
1 1 1 63 22 8  o 1.23058  0.307975  1.75197      0.756909 2.48794      1.07688  1.03338      1.06409  1.43248  0.372464  1.00191  0.381933  
1 1 1 63 22 9  o 0.947214 0.328108  0.985464     0.759171 2.5705       1.08082  -0.558102    1.06658  1.45466  0.370418  0.697291 0.322714  
1 1 1 63 22 10 o 0.575277 0.267998  -0.522199    0.751174 0.100121     1.13844  -1.00205     0.999673 0.817822 0.359924  0.614962 0.29352   
1 1 1 63 22 11 o 1.67111  0.223128  2.98979      0.745746 2.63374      1.09154  3.30145      1.02125  1.4591   0.37267   1.68486  0.314752  
1 1 1 63 22 12 o 0.47927  0.234435  -1.24907     0.751115 -0.91174     1.12052  -1.52433     1.01219  0.662699 0.314136  0.561165 0.273965  
1 1 1 63 22 13 f 2.29782  0.174391  5.5447       0.801438 6.25564      1.17597  4.92812      1.09515  2.38346  0.246695  2.10467  0.26017   
1 1 1 63 22 14 o 2.21248  0.184868  5.19904      0.818034 4.83506      1.16468  5.55344      1.14922  2.05377  0.283547  2.22545  0.2582    
1 1 1 63 22 15 o 1.20001  0.342366  1.82675      0.862259 1.3041       1.19464  2.39512      1.24581  1.02992  0.401767  1.30831  0.42039   
1 1 1 63 22 16 o 0.844762 0.334591  0.73045      0.838189 -0.197438    1.18353  1.66416      1.18724  0.749812 0.344206  1.10532  0.407528  
1 1 1 63 22 17 o 1.56791  0.28978   2.98451      0.874516 2.00297      1.22092  4.01866      1.25321  1.16019  0.414673  1.72765  0.373285  
1 1 1 63 22 18 o 0.698213 0.307619  0.205073     0.833607 1.3174       1.18744  -0.875809    1.17054  0.975494 0.39378   0.644419 0.30997   
1 1 1 63 22 19 o 1.4741   0.324885  2.8637       0.932047 2.5604       1.25877  3.23179      1.38673  1.25597  0.422975  1.39382  0.443093  
1 1 1 63 22 20 o 1.85641  0.254059  4.1534       0.943275 3.01309      1.32842  5.31304      1.33963  1.31047  0.43452   1.94387  0.357996  
1 1 1 63 22 21 o 0.711955 0.315747  0.42632      0.898033 0.30188      1.2418   0.562747     1.30023  0.742321 0.345337  0.781156 0.359509  
1 1 1 63 22 22 o 0.86307  0.363387  1.20472      1.06939  0.663651     1.42426  1.90393      1.61908  0.791077 0.368722  0.942974 0.420675  
1 1 1 63 22 23 o 0.828986 0.352022  1.17259      1.01769  -0.425977    1.50984  2.50354      1.37767  0.674265 0.330428  1.02744  0.420684  
1 1 1 63 23 0  o 1.68042  0.296352  3.19393      0.903497 3.19393      0.903497 3.19393      0.903497 1.74034  0.188607  ?        ?         
1 1 1 63 23 1  o 0.689427 0.284903  0.241456     0.638168 0.469381     0.837342 -0.0743997   0.985713 0.814923 0.329966  0.747948 0.331371  
1 1 1 63 23 2  o 2.33979  0.140161  5.60191      0.655894 6.3489       0.885303 4.69303      0.976542 2.47333  0.17897   2.10032  0.232475  
1 1 1 63 23 3  o 3.5006   0.102205  12.4076      0.715559 13.2254      0.941757 11.2908      1.10062  3.60006  0.130797  3.3059   0.166463  
1 1 1 63 23 4  o 2.55029  0.146488  6.67395      0.747171 7.37008      1.0974   6.07239      1.02014  2.64674  0.207312  2.3994   0.212583  
1 1 1 63 23 5  o 2.76034  0.142811  7.81072      0.788411 9.42727      1.13052  6.28012      1.10006  3.00582  0.188056  2.43077  0.226279  
1 1 1 63 23 6  o 1.64281  0.233207  2.88182      0.766229 3.41639      1.07964  2.33931      1.08763  1.71888  0.325871  1.38268  0.381217  
1 1 1 63 23 7  o 1.53028  0.248646  2.52615      0.760997 2.95864      1.11584  2.15006      1.04053  1.56901  0.362588  1.32626  0.375367  
1 1 1 63 23 8  o 1.26626  0.304573  1.86061      0.76306  0.899169     1.10619  2.73343      1.05397  0.969857 0.384302  1.50773  0.354993  
1 1 1 63 23 9  o 2.70016  0.14879   7.51451      0.803514 6.422        1.14608  8.57066      1.12685  2.44257  0.234605  2.85131  0.197602  
1 1 1 63 23 10 o 0.885096 0.327988  0.819825     0.770889 1.62274      1.16439  0.193259     1.0286   1.14391  0.405348  0.795829 0.346202  
1 1 1 63 23 11 o 0.998406 0.330104  1.17658      0.766689 1.18288      1.15532  1.17162      1.02489  1.02314  0.395925  1.0097   0.377377  
1 1 1 63 23 12 o 1.38491  0.28737   2.24216      0.76932  3.21901      1.13728  1.41805      1.04459  1.60069  0.363457  1.06796  0.383375  
1 1 1 63 23 13 o 0.879725 0.330524  0.847916     0.78822  1.2117       1.12304  0.494726     1.10656  1.00795  0.390291  0.852108 0.364608  
1 1 1 63 23 14 o 2.7209   0.183023  7.87589      0.995975 7.20612      1.23772  9.10626      1.67756  2.54551  0.243119  2.78778  0.300877  
1 1 1 63 23 15 o 1.05487  0.348329  1.42803      0.853683 1.31671      1.21219  1.53757      1.20245  1.02072  0.402977  1.0718   0.406754  
1 1 1 63 23 16 o 1.30004  0.327319  2.18021      0.85112  1.83213      1.20281  2.52927      1.20452  1.11858  0.410408  1.30713  0.412698  
1 1 1 63 23 17 o 1.87371  0.233212  4.00977      0.873944 3.41118      1.19449  4.69932      1.28204  1.54578  0.386904  1.87483  0.354814  
1 1 1 63 23 18 o 1.23167  0.337225  2.07067      0.854725 2.52994      1.21206  1.61637      1.2055   1.26246  0.415052  1.02986  0.40321   
1 1 1 63 23 19 o 1.81158  0.244636  3.88163      0.886358 4.74632      1.25359  3.01719      1.25341  1.85511  0.350655  1.35509  0.419667  
1 1 1 63 23 20 o 0.582094 0.278677  -0.507402    0.918687 -1.14743     1.23853  0.275499     1.36981  0.604172 0.297099  0.758437 0.355718  
1 1 1 63 23 21 o 0.705389 0.317428  0.409643     0.940176 1.60958      1.39653  -0.585013    1.27147  0.913055 0.400253  0.645031 0.313111  
1 1 1 63 23 22 o 0.740095 0.334462  0.589188     1.05486  -0.562269    1.55284  1.57584      1.43743  0.683096 0.334866  0.889814 0.396683  
1 1 1 63 24 0  o 1.86918  0.248235  3.79878      0.891479 3.79878      0.891479 3.79878      0.891479 1.91131  0.167885  ?        ?         
1 1 1 63 24 1  o 1.8634   0.177308  3.60816      0.660791 4.14191      0.872902 2.89174      1.0113   1.97601  0.220875  1.57405  0.331633  
1 1 1 63 24 2  o 3.00728  0.113437  9.18915      0.682274 9.57272      0.913134 8.70438      1.02656  3.05154  0.149619  2.89391  0.177365  
1 1 1 63 24 3  o 3.71344  0.111003  14.0032      0.824407 13.6081      1.08858  14.5345      1.26242  3.63795  0.149614  3.74597  0.168503  
1 1 1 63 24 4  o 0.594426 0.27266   -0.385419    0.741039 -0.66336     1.04784  -0.107326    1.04813  0.676015 0.315546  0.758156 0.338341  
1 1 1 63 24 5  o 3.41856  0.132546  11.9542      0.906235 11.1161      1.33461  12.6712      1.23446  3.24551  0.205608  3.48893  0.176911  
1 1 1 63 24 6  o 0.744538 0.307668  0.327592     0.74419  -0.132767    1.08869  0.731374     1.01959  0.763838 0.342743  0.913737 0.366525  
1 1 1 63 24 7  o 1.46745  0.269896  2.42537      0.762469 3.06087      1.14258  1.91517      1.02376  1.58245  0.367704  1.24291  0.378148  
1 1 1 63 24 8  o 2.0349   0.193234  4.36806      0.786425 4.34487      1.15134  4.38835      1.07675  1.96463  0.293016  1.991    0.270405  
1 1 1 63 24 9  o 2.14758  0.185437  4.85731      0.796482 4.34188      1.14452  5.34134      1.1091   1.95834  0.292217  2.20577  0.251409  
1 1 1 63 24 10 o 1.13189  0.336032  1.56793      0.815098 0.942943     1.23749  2.04686      1.08329  0.974737 0.398838  1.2547   0.390467  
1 1 1 63 24 11 o 0.952745 0.331555  1.07304      0.775973 1.10821      1.1111   1.03956      1.08417  0.98625  0.386905  0.967561 0.381384  
1 1 1 63 24 12 o 0.521783 0.251168  -0.903643    0.772108 -1.41123     1.09214  -0.39645     1.09171  0.592791 0.288517  0.704705 0.326279  
1 1 1 63 24 13 o 1.98103  0.227789  4.3161       0.902514 3.78537      1.24372  4.90641      1.31168  1.71074  0.373811  2.02013  0.324652  
1 1 1 63 24 14 o 1.92959  0.230208  4.135        0.888415 2.80582      1.20785  5.70169      1.31133  1.4138   0.405806  2.19163  0.299168  
1 1 1 63 24 15 o 0.597862 0.279151  -0.400086    0.820854 -0.0466564   1.14612  -0.772307    1.17619  0.74567  0.340803  0.665332 0.317757  
1 1 1 63 24 16 o 0.985116 0.346057  1.31805      0.847011 0.228689     1.16842  2.52453      1.22963  0.77781  0.351729  1.27103  0.418051  
1 1 1 63 24 17 o 1.3161   0.327458  2.31203      0.85949  1.70602      1.21382  2.92143      1.21719  1.04992  0.40592   1.37377  0.411205  
1 1 1 63 24 18 o 0.813362 0.331075  0.77727      0.848254 1.06666      1.19324  0.481622     1.20608  0.899716 0.381575  0.802394 0.360379  
1 1 1 63 24 19 o 1.15166  0.364938  2.11602      0.941231 1.31686      1.24337  3.18864      1.44048  0.900956 0.386032  1.25243  0.45014   
1 1 1 63 24 20 o 0.853433 0.34754   1.14948      0.935137 1.19641      1.31208  1.10104      1.33314  0.852252 0.379491  0.838293 0.37757   
1 1 1 63 24 21 o 0.504539 0.250478  -1.39596     0.965318 -0.106758    1.45724  -2.40404     1.2886   0.711916 0.34327   0.527534 0.265956  
1 1 1 63 24 22 o 0.538302 0.265591  -0.912693    1.03967  -3.08868     1.55808  0.833877     1.3959   ?        ?         0.734715 0.349382  
1 1 1 63 25 0  f 3.44163  0.168725  12.1524      1.15501  12.1524      1.15501  12.1524      1.15501  3.46393  0.118201  ?        ?         
1 1 1 63 25 1  o 2.7655   0.124537  7.80654      0.688814 6.70809      0.906816 9.3048       1.05907  2.53615  0.178778  2.98803  0.177219  
1 1 1 63 25 2  o 1.39855  0.215558  2.07829      0.602935 2.51873      0.782588 1.43504      0.945758 1.49694  0.271382  1.0982   0.366633  
1 1 1 63 25 3  o 1.12333  0.259166  1.42404      0.570819 1.28023      0.687773 1.74237      1.02328  1.04919  0.307876  1.1906   0.380841  
1 1 1 63 25 4  o 3.39653  0.127129  11.7977      0.863594 11.7503      1.22101  11.8452      1.2216   3.35074  0.182201  3.36481  0.181526  
1 1 1 63 25 5  o 3.41055  0.125236  11.8957      0.854244 12.6018      1.26035  11.2957      1.16182  3.46825  0.181699  3.28767  0.176694  
1 1 1 63 25 6  o 2.04351  0.186804  4.39473      0.763471 4.42501      1.12493  4.36888      1.03954  1.98799  0.282932  1.99124  0.261027  
1 1 1 63 25 7  o 2.8714   0.146024  8.51869      0.838585 8.85725      1.2076   8.20337      1.1654   2.87895  0.209729  2.77012  0.210352  
1 1 1 63 25 8  o 0.652932 0.291009  -0.0862304   0.773175 -1.48666     1.11184  1.22515      1.07591  0.59846  0.291223  1.02289  0.385762  
1 1 1 63 25 9  o 1.54005  0.251868  2.63301      0.775777 3.43906      1.14279  1.94409      1.05651  1.66168  0.354344  1.21854  0.386693  
1 1 1 63 25 10 o 1.6907   0.249651  3.18486      0.84417  2.89165      1.22402  3.45083      1.16578  1.46338  0.404832  1.64923  0.363227  
1 1 1 63 25 11 f 0.981032 0.333474  1.17347      0.782424 1.22768      1.07987  1.11357      1.13523  1.00616  0.384405  0.983071 0.389385  
1 1 1 63 25 12 o 0.651557 0.293525  -0.10837     0.806118 -0.475256    1.1028   0.312594     1.18129  0.693489 0.323707  0.829216 0.365653  
1 1 1 63 25 13 o 1.10424  0.343069  1.58986      0.836725 1.76983      1.20016  1.41965      1.16715  1.11848  0.409996  1.03292  0.398311  
1 1 1 63 25 14 o 2.13808  0.215134  5.08161      0.919945 4.01267      1.23999  6.39026      1.372    1.72363  0.370352  2.29304  0.299166  
1 1 1 63 25 15 o 1.13095  0.340802  1.74803      0.834198 1.53417      1.15374  1.98231      1.20758  1.02329  0.395721  1.12878  0.411505  
1 1 1 63 25 16 o 0.647597 0.293789  -0.0233545   0.821674 -0.658618    1.14315  0.655673     1.18187  0.654479 0.312738  0.839849 0.368185  
1 1 1 63 25 17 o 0.858513 0.339287  0.947675     0.860125 1.05094      1.2001   0.8386       1.23338  0.897754 0.381779  0.862999 0.377244  
1 1 1 63 25 18 o 0.71439  0.317072  0.402761     0.907927 -0.46627     1.30081  1.22828      1.26783  0.676965 0.325903  0.887129 0.385114  
1 1 1 63 25 19 o 0.678625 0.308299  0.267417     0.911162 0.322237     1.28998  0.212836     1.28718  0.739066 0.346374  0.726473 0.341619  
1 1 1 63 25 20 o 0.508403 0.252075  -1.368       0.965868 -2.51234     1.4434   -0.440103    1.29975  0.558442 0.281526  0.663742 0.320904  
1 1 1 63 25 21 o 0.861971 0.350423  1.40877      0.949093 1.44176      1.34364  1.37592      1.34081  0.820781 0.373281  0.812407 0.370384  
1 1 1 63 26 0  o 0.91637  0.439271  1.39665      0.920255 1.39665      0.920255 1.39665      0.920255 0.998491 0.357552  ?        ?         
1 1 1 63 26 1  o 2.17949  0.156762  4.92547      0.68332  5.54222      0.903701 4.10209      1.04417  2.28844  0.197449  1.92212  0.27162   
1 1 1 63 26 2  o 0.624856 0.279928  -0.144171    0.72362  -0.24159     1.11317  -0.0728797   0.952268 0.747427 0.339878  0.722982 0.322574  
1 1 1 63 26 3  f 1.51512  0.275758  2.61713      0.804713 3.36332      1.1267   1.84012      1.14973  1.66423  0.349606  1.19854  0.40424   
1 1 1 63 26 4  o 1.59367  0.241053  2.77097      0.76832  2.74054      1.12042  2.79798      1.05561  1.47122  0.378636  1.50604  0.355703  
1 1 1 63 26 5  o 0.95262  0.322785  1.05318      0.733068 -0.69262     1.1104   2.40191      0.975987 0.681174 0.319622  1.39261  0.350437  
1 1 1 63 26 6  o 1.12619  0.311066  1.52541      0.723366 1.71809      1.07595  1.36649      0.97716  1.15462  0.391055  1.0541   0.371552  
1 1 1 63 26 7  o 0.532823 0.25349   -0.704568    0.735545 0.621744     1.07831  -1.85872     1.00589  0.875535 0.366588  0.5262   0.260009  
1 1 1 63 26 8  f 1.80297  0.23015   3.56573      0.829907 3.88032      1.1877   3.26558      1.16012  1.76816  0.348263  1.59608  0.370282  
1 1 1 63 26 9  o 1.56222  0.259569  2.749        0.811009 1.67121      1.13647  3.86742      1.1577   1.12304  0.400207  1.7714   0.33887   
1 1 1 63 26 10 o 2.17138  0.200329  5.07906      0.869979 5.35451      1.21719  4.79137      1.24392  2.15476  0.282442  2.01202  0.309121  
1 1 1 63 26 11 o 1.06716  0.340426  1.45345      0.818028 2.51326      1.12101  0.246285     1.1964   1.35488  0.391614  0.816386 0.362981  
1 1 1 63 26 12 o 1.47084  0.311075  2.69289      0.886914 3.42966      1.20663  1.82704      1.30807  1.58229  0.384521  1.11522  0.423947  
1 1 1 63 26 13 o 0.85744  0.340488  0.8485       0.870049 0.436036     1.22307  1.27106      1.23794  0.825888 0.367111  0.977052 0.399203  
1 1 1 63 26 14 o 1.50835  0.295125  2.85106      0.85855  1.18605      1.15898  4.87586      1.27808  0.942357 0.38585   1.91472  0.346471  
1 1 1 63 26 15 o 1.69548  0.25857   3.40966      0.876799 2.97511      1.21705  3.87857      1.26425  1.38779  0.410291  1.63254  0.39164   
1 1 1 63 26 16 o 0.587911 0.276725  -0.423226    0.848527 -0.882052    1.23842  -0.0172328   1.16494  0.647541 0.313101  0.724863 0.33616   
1 1 1 63 26 17 o 0.697013 0.310776  0.331577     0.882533 -0.638579    1.25317  1.28616      1.24307  0.651541 0.315022  0.89719  0.385254  
1 1 1 63 26 18 o 0.884978 0.345445  1.24369      0.883463 1.56463      1.26837  0.941247     1.23127  0.919327 0.391765  0.817434 0.3657    
1 1 1 63 26 19 o 0.987016 0.35474   1.60075      0.894606 3.66712      1.27169  -0.423762    1.25874  1.42847  0.418473  0.660269 0.318531  
1 1 1 63 26 20 o 0.695693 0.315888  0.509811     0.953819 0.694851     1.3628   0.33213      1.33543  0.744698 0.350574  0.70638  0.337653  
1 1 1 63 27 0  o 0.699196 0.429317  0.696591     1.13179  0.696591     1.13179  0.696591     1.13179  0.662541 0.382103  ?        ?         
1 1 1 63 27 1  o 1.43261  0.278873  2.37159      0.770523 2.30099      1.17923  2.42419      1.01786  1.31299  0.407147  1.38435  0.363121  
1 1 1 63 27 2  o 2.76688  0.152459  7.95732      0.84367  8.47806      1.31791  7.59574      1.09818  2.78153  0.236903  2.66104  0.206345  
1 1 1 63 27 3  o 0.992772 0.33556   1.18328      0.792243 1.40767      1.19634  1.00801      1.0573   1.06681  0.405468  0.959933 0.377183  
1 1 1 63 27 4  o 2.12839  0.180053  4.79096      0.766444 4.80343      1.17896  4.78183      1.00868  2.04542  0.288194  2.08044  0.242421  
1 1 1 63 27 5  o 1.33808  0.284075  2.10755      0.737248 2.74324      1.13162  1.63875      0.971786 1.44443  0.384723  1.12726  0.371644  
1 1 1 63 27 6  o 0.906327 0.330489  0.939748     0.778935 1.09688      1.11413  0.789504     1.08945  0.979483 0.386448  0.907959 0.37332   
1 1 1 63 27 7  o 0.638945 0.29072   -0.214396    0.817102 -0.914746    1.19512  0.400327     1.11968  0.673733 0.321419  0.835278 0.362249  
1 1 1 63 27 8  o 1.5364   0.293687  2.80368      0.87019  1.39584      1.23694  4.18317      1.22442  1.04953  0.408941  1.83088  0.346972  
1 1 1 63 27 9  o 1.15166  0.327978  1.67113      0.792001 3.03457      1.11119  0.263253     1.12915  1.52427  0.368114  0.806971 0.356454  
1 1 1 63 27 10 o 2.32767  0.194627  5.86617      0.906054 5.53851      1.22099  6.26772      1.35166  2.17353  0.280879  2.29561  0.2944    
1 1 1 63 27 11 o 1.30322  0.332507  2.21312      0.869627 2.47311      1.14577  1.85983      1.33563  1.30322  0.400766  1.10985  0.426493  
1 1 1 63 27 12 o 1.21789  0.345297  2.01752      0.87975  1.6537       1.29828  2.32641      1.19628  1.0502   0.416272  1.22958  0.412342  
1 1 1 63 27 13 o 0.716049 0.314572  0.271971     0.866455 -0.11661     1.30872  0.575219     1.15612  0.754568 0.35238   0.825555 0.363021  
1 1 1 63 27 14 o 0.715523 0.313433  0.300492     0.855103 -0.486674    1.18611  1.15237      1.2339   0.681844 0.323206  0.929339 0.390768  
1 1 1 63 27 15 o 1.02271  0.345407  1.51868      0.83942  2.17931      1.24913  0.974687     1.13352  1.12676  0.417515  0.871539 0.370845  
1 1 1 63 27 16 o 0.687123 0.308306  0.283371     0.880816 0.395074     1.27256  0.180637     1.2204   0.764311 0.35326   0.730693 0.340862  
1 1 1 63 27 17 f 0.799748 0.330797  0.901167     0.861568 0.746884     1.20858  1.06059      1.22855  0.787224 0.356762  0.835631 0.370116  
1 1 1 63 27 18 o 1.78566  0.263254  4.05799      0.940164 2.30696      1.33993  5.75602      1.31949  1.05657  0.421604  2.012    0.327906  
1 1 1 63 27 19 o 0.559744 0.270776  -0.527819    0.93041  -0.590898    1.33887  -0.468909    1.29388  0.633003 0.310511  0.634774 0.309874  
1 1 1 63 28 0  f 0.349346 0.258182  -2.38643     1.10543  -2.38643     1.10543  -2.38643     1.10543  0.261403 0.195389  ?        ?         
1 1 1 63 28 1  o 1.4021   0.301576  2.35608      0.821424 2.01887      1.15571  2.70033      1.16772  1.21914  0.405291  1.41898  0.396374  
1 1 1 63 28 2  o 1.31696  0.337988  2.17367      0.894623 2.30519      1.25948  2.03974      1.27097  1.28436  0.423095  1.21165  0.424071  
1 1 1 63 28 3  o 2.5103   0.172425  6.65307      0.865678 7.19893      1.29289  6.20948      1.1655   2.53376  0.255133  2.36145  0.246777  
1 1 1 63 28 4  o 1.0166   0.339748  1.28171      0.81214  2.97869      1.22882  -0.0344502   1.08219  1.4822   0.40369   0.752562 0.339502  
1 1 1 63 28 5  o 1.22482  0.322513  1.86224      0.800986 1.45889      1.19635  2.18994      1.07835  1.06414  0.405172  1.27637  0.388052  
1 1 1 63 28 6  o 1.16902  0.337     1.73147      0.831216 1.56377      1.27372  1.85586      1.09701  1.08573  0.416704  1.17021  0.394863  
1 1 1 63 28 7  o 1.0158   0.345991  1.30634      0.842261 0.9778       1.26585  1.56734      1.12826  0.955244 0.398394  1.0813   0.397413  
1 1 1 63 28 8  o 1.78275  0.246315  3.59991      0.878235 2.66179      1.25681  4.49512      1.22773  1.3472   0.420844  1.88686  0.337527  
1 1 1 63 28 9  o 1.08269  0.348853  1.56791      0.857458 2.5566       1.21815  0.596967     1.20718  1.311    0.41514   0.858062 0.374166  
1 1 1 63 28 10 o 0.591996 0.282245  -0.673601    0.917791 -1.65891     1.31263  0.268827     1.28375  0.620323 0.305305  0.810287 0.367427  
1 1 1 63 28 11 o 1.3126   0.335868  2.31355      0.885393 1.10028      1.29513  3.37808      1.21315  0.933098 0.396702  1.52116  0.395237  
1 1 1 63 28 12 o 0.518414 0.252176  -1.00937     0.832318 -1.06013     1.1992   -0.962194    1.15614  0.630298 0.305371  0.627564 0.303282  
1 1 1 63 28 13 o 1.26585  0.329767  2.17216      0.843116 3.20756      1.27349  1.36418      1.12497  1.42227  0.419445  0.96886  0.386402  
1 1 1 63 28 14 o 0.77764  0.323256  0.689804     0.829146 0.0573993    1.16633  1.33597      1.17895  0.723737 0.335916  0.933183 0.386532  
1 1 1 63 28 15 o 0.771881 0.324684  0.733213     0.852382 1.13791      1.21981  0.347025     1.19159  0.866262 0.376929  0.745349 0.343481  
1 1 1 63 28 16 o 1.36283  0.331774  2.74431      0.897075 2.00775      1.25479  3.51435      1.28299  1.00362  0.404933  1.36758  0.424803  
1 1 1 63 28 17 o 0.661516 0.301495  0.176743     0.88686  -0.13265     1.27452  0.467171     1.23484  0.691323 0.330314  0.754042 0.348312  
1 1 1 63 28 18 o 1.54824  0.31068   3.48674      0.928123 2.84265      1.29006  4.17782      1.33629  1.11771  0.42215   1.43697  0.431     
1 1 1 63 29 0  o 3.06866  0.207687  9.93278      1.26124  9.93278      1.26124  9.93278      1.26124  3.11074  0.144051  ?        ?         
1 1 1 63 29 1  o 0.784675 0.323343  0.498438     0.81907  0.247582     1.15546  0.751812     1.16124  0.812593 0.359548  0.903916 0.379537  
1 1 1 63 29 2  o 2.24638  0.206184  5.46649      0.926334 4.48445      1.2816   6.5408       1.34045  1.88698  0.352674  2.37865  0.281766  
1 1 1 63 29 3  o 2.42132  0.191152  6.29225      0.925679 6.20448      1.22971  6.40701      1.40619  2.33337  0.263504  2.32667  0.302189  
1 1 1 63 29 4  o 1.56172  0.300319  2.94505      0.904559 3.12223      1.24887  2.74953      1.31194  1.49652  0.406694  1.37079  0.430327  
1 1 1 63 29 5  o 1.12445  0.352525  1.66983      0.880818 2.88039      1.25169  0.482322     1.23972  1.41464  0.415411  0.855294 0.376008  
1 1 1 63 29 6  o 1.12584  0.345714  1.67987      0.853025 0.294958     1.18394  3.17489      1.2301   0.808417 0.360214  1.49621  0.402296  
1 1 1 63 29 7  o 1.37216  0.309861  2.36976      0.830309 1.07967      1.14915  3.77898      1.20104  0.940387 0.384488  1.6758   0.368339  
1 1 1 63 29 8  f 1.26503  0.325117  2.09181      0.826923 0.415213     1.14414  3.92543      1.19651  0.807886 0.357583  1.70743  0.361462  
1 1 1 63 29 9  o 1.48034  0.307437  2.78704      0.879863 3.28808      1.22727  2.25717      1.26209  1.49071  0.40229   1.18883  0.421937  
1 1 1 63 29 10 f 0.743256 0.322919  0.383802     0.892753 -0.995589    1.30417  1.60013      1.22466  0.663567 0.320928  1.02795  0.405293  
1 1 1 63 29 11 o 0.98419  0.345959  1.34904      0.846654 1.98608      1.23222  0.779329     1.16529  1.11109  0.414085  0.856582 0.370493  
1 1 1 63 29 12 o 1.18458  0.33538   1.94969      0.83051  2.58404      1.20639  1.3782       1.14505  1.25963  0.41408   0.964839 0.38784   
1 1 1 63 29 13 o 1.36142  0.313859  2.55029      0.837673 1.71415      1.20801  3.32476      1.16259  0.991926 0.398512  1.44144  0.392695  
1 1 1 63 29 14 o 0.693499 0.307386  0.370758     0.84947  0.8105       1.24641  -0.0106686   1.16082  0.810155 0.364979  0.692042 0.325134  
1 1 1 63 29 15 o 1.04776  0.354534  1.81029      0.884369 2.33318      1.29457  1.35274      1.21098  1.06051  0.417154  0.879939 0.379103  
1 1 1 63 29 16 o 0.572638 0.272963  -0.382499    0.857336 -0.738338    1.21254  -0.0267526   1.21238  0.621985 0.30297   0.690224 0.326982  
1 1 1 63 29 17 o 0.877742 0.346317  1.36779      0.894771 -0.207059    1.24763  3.03563      1.28394  0.648545 0.313703  1.15952  0.42416   
1 1 1 63 30 0  o 0.728151 0.482105  0.594578     1.75962  0.594578     1.75962  0.594578     1.75962  0.671169 0.428967  ?        ?         
1 1 1 63 30 1  o 2.71384  0.184738  7.94187      1.0027   8.26427      1.37047  7.57048      1.47091  2.68091  0.255599  2.51592  0.292321  
1 1 1 63 30 2  o 1.00655  0.357645  1.34182      0.907008 3.10896      1.26964  -0.499966    1.29618  1.45723  0.415347  0.727016 0.342147  
1 1 1 63 30 3  o 1.27975  0.344321  2.17288      0.900737 1.42046      1.2239   3.06199      1.33043  1.01808  0.403974  1.41815  0.431004  
1 1 1 63 30 4  o 1.17222  0.357156  1.88278      0.912817 2.06943      1.21567  1.6415       1.38213  1.16947  0.414201  1.05728  0.425644  
1 1 1 63 30 5  o 0.756245 0.324672  0.412783     0.882577 0.77757      1.14377  -0.124087    1.38757  0.871855 0.371796  0.780108 0.363737  
1 1 1 63 30 6  o 1.44473  0.309202  2.65629      0.867499 1.90167      1.14486  3.67375      1.32937  1.12206  0.401498  1.56515  0.417035  
1 1 1 63 30 7  o 0.903918 0.34652   1.06143      0.879957 1.71962      1.16467  0.185957     1.34323  1.06441  0.401378  0.799677 0.366928  
1 1 1 63 30 8  o 1.11994  0.360941  1.79414      0.917874 1.9799       1.24908  1.57607      1.35332  1.11368  0.41654   1.01745  0.41683   
1 1 1 63 30 9  o 0.671505 0.301105  0.0881225    0.838964 1.26603      1.2351   -0.920975    1.14318  0.953221 0.39528   0.626557 0.302585  
1 1 1 63 30 10 o 0.630939 0.292556  -0.218095    0.88188  -0.80724     1.28499  0.306458     1.2125   0.669925 0.322856  0.782667 0.355587  
1 1 1 63 30 11 o 0.87308  0.337757  1.05737      0.84066  0.216264     1.20454  1.85612      1.17381  0.751305 0.345878  1.04896  0.400769  
1 1 1 63 30 12 o 0.822896 0.331567  0.936333     0.839687 1.40239      1.24304  0.545163     1.13879  0.916966 0.389202  0.769984 0.347765  
1 1 1 63 30 13 o 0.671357 0.30447   0.234722     0.881803 0.484747     1.35164  0.049452     1.16351  0.769946 0.358998  0.695189 0.326375  
1 1 1 63 30 14 o 1.1644   0.35614   2.18219      0.906469 2.28156      1.28196  2.08283      1.28192  1.05731  0.415365  1.0152   0.409419  
1 1 1 63 30 15 o 0.617004 0.287643  -0.0556791   0.867312 0.739619     1.26571  -0.759673    1.19084  0.784251 0.358314  0.612381 0.298642  
1 1 1 63 30 16 o 0.625236 0.290206  0.145628     0.870599 1.66328      1.24207  -1.32011     1.22064  0.87284  0.38008   0.555154 0.276434  
1 1 1 63 31 0  o 0.554822 0.380352  -0.175203    1.27966  -0.175203    1.27966  -0.175203    1.27966  0.475475 0.324175  ?        ?         
1 1 1 63 31 1  o 1.38822  0.344197  2.59687      0.952128 1.8497       1.38593  3.26469      1.31028  1.08207  0.429719  1.45353  0.424443  
1 1 1 63 31 2  o 0.906577 0.357555  1.05034      0.953443 1.59858      1.35576  0.513897     1.34111  1.0303   0.418833  0.846164 0.380028  
1 1 1 63 31 3  o 1.84813  0.273286  4.09916      1.01013  2.30704      1.33668  6.48533      1.54239  1.18419  0.432823  2.21417  0.348301  
1 1 1 63 31 4  o 0.641076 0.294939  -0.171376    0.874295 1.32709      1.14756  -2.24454     1.34979  0.971633 0.38922   0.585492 0.291422  
1 1 1 63 31 5  o 2.87478  0.165995  8.88799      0.954398 8.99064      1.28543  8.76188      1.42474  2.80485  0.229144  2.71693  0.262196  
1 1 1 63 31 6  o 0.932404 0.354801  1.17881      0.916926 1.91256      1.15583  -0.0669577   1.50605  1.10816  0.40273   0.792261 0.371835  
1 1 1 63 31 7  o 1.48472  0.32765   2.9269       0.946851 0.846662     1.22227  6.04862      1.4973   0.872643 0.378468  2.08271  0.372951  
1 1 1 63 31 8  o 0.896687 0.352138  1.07557      0.921082 0.677658     1.26871  1.51903      1.33938  0.844534 0.374826  0.991988 0.411508  
1 1 1 63 31 9  o 1.27529  0.347198  2.34757      0.909187 1.78055      1.22413  3.04517      1.3578   1.02789  0.405226  1.30149  0.439298  
1 1 1 63 31 10 o 0.596766 0.281775  -0.347995    0.893206 -0.961441    1.32577  0.161899     1.2087   0.64074  0.312961  0.729976 0.340023  
1 1 1 63 31 11 o 0.594747 0.282462  -0.361298    0.9098   -1.57734     1.28317  0.868034     1.29016  0.581035 0.2885    0.82038  0.370362  
1 1 1 63 31 12 o 0.772702 0.328862  0.787026     0.891737 0.650411     1.34168  0.89513      1.1935   0.781252 0.361715  0.806163 0.360368  
1 1 1 63 31 13 o 0.663678 0.301935  0.197968     0.88073  -0.227703    1.25618  0.609518     1.23517  0.679095 0.325297  0.772921 0.353481  
1 1 1 63 31 14 o 0.900546 0.347917  1.35496      0.891373 1.86732      1.29977  0.900039     1.22475  0.950821 0.400492  0.796368 0.360115  
1 1 1 63 31 15 o 0.628435 0.291345  0.218905     0.874123 -0.0171054   1.2642   0.435104     1.20998  0.649917 0.314611  0.689458 0.326638  
1 1 1 63 32 0  o 0.784277 0.487992  1.23986      1.50045  1.23986      1.50045  1.23986      1.50045  0.792969 0.446203  ?        ?         
1 1 1 63 32 1  o 1.15053  0.389696  2.01558      1.06849  2.57287      1.38813  1.20534      1.67378  1.22589  0.441757  0.958496 0.427657  
1 1 1 63 32 2  o 0.816018 0.340753  0.712264     0.927835 -0.117124    1.25387  1.71605      1.37941  0.740121 0.345355  1.03807  0.42231   
1 1 1 63 32 3  o 1.07973  0.366472  1.70353      0.944927 1.47278      1.34515  1.92833      1.32768  0.990796 0.411789  1.08341  0.423361  
1 1 1 63 32 4  f 1.36893  0.356993  2.64123      0.987431 1.92948      1.30119  3.60764      1.51622  1.08297  0.41995   1.43004  0.464204  
1 1 1 63 32 5  o 1.21966  0.360493  2.14959      0.939662 1.81607      1.23952  2.60025      1.44086  1.05989  0.410108  1.20477  0.448016  
1 1 1 63 32 6  o 1.30062  0.349032  2.41468      0.927046 2.88028      1.27149  1.88628      1.35453  1.30547  0.425106  1.04714  0.421453  
1 1 1 63 32 7  o 1.77284  0.271163  3.92895      0.961457 4.2527       1.33913  3.58452      1.38126  1.6262   0.411252  1.41462  0.441045  
1 1 1 63 32 8  f 0.822415 0.343174  0.91994      0.940011 0.481093     1.28734  1.42118      1.37582  0.77906  0.358199  0.917862 0.399852  
1 1 1 63 32 9  o 1.37017  0.348688  2.8208       0.958166 2.0333       1.26384  3.88526      1.46937  1.02865  0.409774  1.39161  0.45699   
1 1 1 63 32 10 o 0.724066 0.322106  0.501199     0.943251 0.254175     1.27071  0.804352     1.4077   0.730298 0.342536  0.806986 0.372435  
1 1 1 63 32 11 o 0.469051 0.234656  -1.85911     0.949457 -2.24796     1.32644  -1.45053     1.35965  0.545683 0.274569  0.599615 0.297623  
1 1 1 63 32 12 o 0.903974 0.35505   1.35122      0.936503 -0.29587     1.27138  3.30499      1.38469  0.671154 0.322882  1.25549  0.442321  
1 1 1 63 32 13 o 0.783645 0.333062  0.937619     0.912437 0.900651     1.27492  0.976436     1.30641  0.780983 0.357984  0.791433 0.362608  
1 1 1 63 32 14 o 1.82048  0.263135  4.52633      0.958066 5.40266      1.37452  3.69827      1.33612  1.66046  0.414693  1.2286   0.434327  
1 1 1 63 33 0  o 3.64923  0.254037  14.8416      1.83345  14.8416      1.83345  14.8416      1.83345  3.7539   0.173524  ?        ?         
1 1 1 63 33 1  o 1.54676  0.374791  3.54311      1.14891  3.69878      1.59282  3.37427      1.65881  1.37439  0.475337  1.27926  0.479713  
1 1 1 63 33 2  o 1.1057   0.386952  1.98871      1.05819  2.38585      1.4241   1.4991       1.58122  1.12372  0.438596  0.955753 0.422041  
1 1 1 63 33 3  f 0.598376 0.289133  -0.766217    1.04926  -1.5384      1.3296   0.508584     1.70837  0.607194 0.299765  0.835826 0.393193  
1 1 1 63 33 4  o 1.08345  0.392712  2.03109      1.09841  2.11253      1.38568  1.89339      1.80177  1.04688  0.424232  0.973703 0.438731  
1 1 1 63 33 5  o 1.11001  0.381806  2.07311      1.02645  3.52677      1.46521  0.672132     1.43841  1.32772  0.456217  0.815973 0.376542  
1 1 1 63 33 6  o 1.56368  0.345935  3.57987      1.05307  3.70944      1.5261   3.46209      1.45497  1.3272   0.464672  1.30127  0.453893  
1 1 1 63 33 7  o 1.14072  0.384342  2.25271      1.03933  3.10623      1.5004   1.46536      1.44106  1.18455  0.452951  0.903175 0.400337  
1 1 1 63 33 8  o 1.05819  0.378387  1.98174      1.0167   2.05156      1.40738  1.90553      1.47035  0.986583 0.416205  0.954271 0.414505  
1 1 1 63 33 9  o 1.10121  0.364218  2.02289      0.933342 1.88608      1.22811  2.20994      1.43603  0.985013 0.399292  1.01097  0.423155  
1 1 1 63 33 10 o 1.00328  0.362093  1.69431      0.932928 2.00321      1.26955  1.33168      1.37554  1.00427  0.406435  0.87673  0.389554  
1 1 1 63 33 11 o 0.968678 0.36725   1.68456      0.979413 2.47887      1.38083  0.880363     1.3894   1.04548  0.423562  0.796432 0.368494  
1 1 1 63 33 12 o 1.65422  0.306793  4.03635      0.97693  4.06185      1.30864  4.00426      1.46827  1.37139  0.429642  1.24205  0.453661  
1 1 1 63 34 0  o 2.98337  0.293573  10.5415      1.71275  10.5415      1.71275  10.5415      1.71275  3.12063  0.195814  ?        ?         
1 1 1 63 34 1  o 2.24524  0.260698  6.33843      1.17066  5.64899      1.654    7.03048      1.65714  1.72474  0.46773   2.07159  0.414609  
1 1 1 63 34 2  o 1.01869  0.391739  1.88611      1.12732  2.61104      1.61821  1.20257      1.57135  1.06618  0.447867  0.87116  0.398528  
1 1 1 63 34 3  o 0.999563 0.394032  1.84488      1.15737  2.31153      1.68308  1.42628      1.59407  1.00491  0.439968  0.89396  0.406567  
1 1 1 63 34 4  o 0.593678 0.290765  -0.979082    1.16508  -2.38736     1.63915  0.45887      1.65632  0.603162 0.303502  0.789829 0.377182  
1 1 1 63 34 5  o 0.723001 0.334517  0.338129     1.14497  0.667648     1.66586  0.0430806    1.57632  0.802773 0.381711  0.741454 0.357392  
1 1 1 63 34 6  o 1.38501  0.408837  3.42111      1.20934  6.87193      1.78648  0.502196     1.64304  1.87571  0.475391  0.786403 0.375575  
1 1 1 63 34 7  o 0.938765 0.37698   1.55307      1.08028  1.11651      1.43584  2.12255      1.63992  0.848198 0.385784  0.973686 0.429902  
1 1 1 63 34 8  o 0.755876 0.33772   0.63586      1.04703  1.5844       1.38783  -0.617319    1.59519  0.910481 0.399065  0.694017 0.339984  
1 1 1 63 34 9  o 1.2736   0.392293  2.90912      1.09723  3.33689      1.4779   2.38377      1.63783  1.18987  0.451124  0.977922 0.430977  
1 1 1 63 34 10 o 0.553545 0.271647  -0.78824     1.0265   -0.215985    1.36767  -1.52646     1.55339  0.656393 0.320095  0.599626 0.300052  
1 1 1 63 34 11 o 0.807537 0.350668  1.27495      1.05177  0.469885     1.35881  2.47822      1.66121  0.698737 0.335578  0.893614 0.409202  
1 1 1 63 35 0  o 1.93655  0.526618  6.04239      1.76005  6.04239      1.76005  6.04239      1.76005  2.24109  0.288372  ?        ?         
1 1 1 63 35 1  o 1.06356  0.398278  2.141        1.14264  1.70222      1.68241  2.51669      1.55678  0.912703 0.415783  1.04171  0.438515  
1 1 1 63 35 2  o 0.695924 0.324691  0.156724     1.10788  1.17342      1.70652  -0.583943    1.45656  0.855352 0.400428  0.678339 0.330714  
1 1 1 63 35 3  o 1.09558  0.387214  2.15198      1.06192  1.35331      1.56947  2.82635      1.44216  0.878169 0.400462  1.13375  0.441603  
1 1 1 63 35 4  o 1.82045  0.340036  4.81968      1.19206  4.37904      1.88828  5.11164      1.53707  1.27418  0.502982  1.6466   0.452841  
1 1 1 63 35 5  o 0.666095 0.312229  0.0205972    1.04984  0.306568     1.57834  -0.206321    1.40596  0.763104 0.36532   0.69854  0.336908  
1 1 1 63 35 6  o 1.71586  0.32858   4.29073      1.08738  5.02837      1.60921  3.67092      1.47509  1.52199  0.476357  1.27572  0.455814  
1 1 1 63 35 7  o 1.71399  0.320991  4.30944      1.05965  5.33827      1.55208  3.41119      1.45024  1.59265  0.460948  1.18726  0.447836  
1 1 1 63 35 8  o 0.620444 0.300191  -0.230877    1.1454   0.675278     1.64336  -1.08696     1.59731  0.73675  0.357112  0.621525 0.310422  
1 1 1 63 35 9  o 0.622285 0.300467  -0.122759    1.12598  0.566247     1.59461  -0.80791     1.59015  0.717683 0.34909   0.62929  0.313651  
1 1 1 63 36 0  o 2.1688   0.474966  7.0728       1.80181  7.0728       1.80181  7.0728       1.80181  2.44646  0.267708  ?        ?         
1 1 1 63 36 1  o 0.634435 0.305712  -0.352724    1.15121  -1.39828     1.69228  0.547926     1.57064  0.647411 0.322806  0.768215 0.366964  
1 1 1 63 36 2  o 0.855802 0.371873  1.33433      1.18429  1.76194      1.80868  1.0134       1.5669   0.876545 0.410687  0.806232 0.378551  
1 1 1 63 36 3  o 1.65181  0.393883  4.73121      1.28476  2.23895      2.25751  5.92507      1.56247  0.878664 0.424487  1.73086  0.447995  
1 1 1 63 36 4  o 1.06437  0.400559  2.44152      1.15858  -0.329214    1.80947  4.3667       1.50831  0.695095 0.344733  1.33395  0.462439  
1 1 1 63 36 5  o 0.713564 0.328327  0.669802     1.08378  0.297613     1.6192   0.971875     1.45873  0.703441 0.344115  0.753673 0.357809  
1 1 1 63 36 6  o 0.867195 0.363468  1.5879       1.06183  0.111698     1.59144  2.77235      1.42552  0.685104 0.336859  0.989322 0.418193  
1 1 1 64 0  0  o 3.95424  0.157896  15.7728      1.24419  15.7728      1.24419  15.7728      1.24419  3.96286  0.111201  ?        ?         
1 1 1 64 0  1  o 0.579547 0.347338  0.382189     0.703787 0.382189     0.703787 0.382189     0.703787 0.531779 0.303242  ?        ?         
1 1 1 64 0  2  f 1.24874  0.32998   1.8703       0.710301 1.8703       0.710301 1.8703       0.710301 1.31813  0.205392  ?        ?         
1 1 1 64 0  3  o 2.68605  0.142259  7.29921      0.759335 7.29921      0.759335 7.29921      0.759335 2.69392  0.0999683 ?        ?         
1 1 1 64 0  4  o 4.73785  0.106802  22.5246      1.01086  22.5246      1.01086  22.5246      1.01086  4.74191  0.0754119 ?        ?         
1 1 1 64 0  5  o 3.2351   0.125921  10.542       0.81193  10.542       0.81193  10.542       0.81193  3.24098  0.0887226 ?        ?         
1 1 1 64 0  6  o 0.592598 0.358039  0.38387      0.760129 0.38387      0.760129 0.38387      0.760129 0.540519 0.312531  ?        ?         
1 1 1 64 0  7  o 4.08764  0.129449  16.8092      1.05588  16.8092      1.05588  16.8092      1.05588  4.09377  0.0912924 ?        ?         
1 1 1 64 0  8  o 4.22583  0.123649  17.9522      1.04302  17.9522      1.04302  17.9522      1.04302  4.2314   0.0872324 ?        ?         
1 1 1 64 0  9  o 2.1225   0.190536  4.64182      0.793838 4.64182      0.793838 4.64182      0.793838 2.13891  0.13238   ?        ?         
1 1 1 64 0  10 o 3.53891  0.127643  12.6118      0.900765 12.6118      0.900765 12.6118      0.900765 3.54513  0.0899636 ?        ?         
1 1 1 64 0  11 o 2.04981  0.197709  4.34917      0.793216 4.34917      0.793216 4.34917      0.793216 2.06819  0.136978  ?        ?         
1 1 1 64 0  12 o 2.61124  0.168917  6.94291      0.873697 6.94291      0.873697 6.94291      0.873697 2.62321  0.118304  ?        ?         
1 1 1 64 0  13 o 1.63001  0.262459  2.89326      0.788763 2.89326      0.788763 2.89326      0.788763 1.66971  0.171137  ?        ?         
1 1 1 64 0  14 o 3.24717  0.146447  10.6648      0.94667  10.6648      0.94667  10.6648      0.94667  3.2565   0.103012  ?        ?         
1 1 1 64 0  15 o 5.10577  0.119635  26.2117      1.22014  26.2117      1.22014  26.2117      1.22014  5.11275  0.084426  ?        ?         
1 1 1 64 0  16 o 0.698371 0.400819  0.687279     0.875829 0.687279     0.875829 0.687279     0.875829 0.672122 0.352751  ?        ?         
1 1 1 64 0  17 o 4.01251  0.138446  16.2506      1.10803  16.2506      1.10803  16.2506      1.10803  4.02186  0.0975345 ?        ?         
1 1 1 64 0  18 o 2.68236  0.182852  7.37127      0.970481 7.37127      0.970481 7.37127      0.970481 2.69888  0.127786  ?        ?         
1 1 1 64 0  19 o 1.3366   0.413573  2.31428      0.965273 2.31428      0.965273 2.31428      0.965273 1.44114  0.263023  ?        ?         
1 1 1 64 0  20 o 5.41033  0.156515  29.6153      1.69039  29.6153      1.69039  29.6153      1.69039  5.42619  0.110243  ?        ?         
1 1 1 64 0  21 o 3.9132   0.175397  15.5911      1.36645  15.5911      1.36645  15.5911      1.36645  3.93099  0.123172  ?        ?         
1 1 1 64 0  22 o 3.3369   0.18526   11.4036      1.22768  11.4036      1.22768  11.4036      1.22768  3.35709  0.129733  ?        ?         
1 1 1 64 0  23 o 0.575872 0.383697  -0.0943031   1.14481  -0.0943031   1.14481  -0.0943031   1.14481  0.485639 0.323345  ?        ?         
1 1 1 64 0  24 o 0.916028 0.47151   1.41164      1.092    1.41164      1.092    1.41164      1.092    0.969853 0.402099  ?        ?         
1 1 1 64 0  25 o 0.430863 0.307035  -1.07926     1.05827  -1.07926     1.05827  -1.07926     1.05827  0.3347   0.242059  ?        ?         
1 1 1 64 0  26 o 2.00078  0.297117  4.49074      1.11054  4.49074      1.11054  4.49074      1.11054  2.06467  0.194111  ?        ?         
1 1 1 64 0  27 o 0.695396 0.421019  0.736188     1.05597  0.736188     1.05597  0.736188     1.05597  0.669051 0.375187  ?        ?         
1 1 1 64 0  28 f 0.578691 0.386649  0.025327     1.18199  0.025327     1.18199  0.025327     1.18199  0.500442 0.331689  ?        ?         
1 1 1 64 0  29 o 0.514895 0.358173  -0.514072    1.25168  -0.514072    1.25168  -0.514072    1.25168  0.42669  0.298015  ?        ?         
1 1 1 64 0  30 o 0.558105 0.378711  -0.0201129   1.21512  -0.0201129   1.21512  -0.0201129   1.21512  0.485519 0.32582   ?        ?         
1 1 1 64 0  31 o 0.45309  0.327428  -1.24631     1.3558   -1.24631     1.3558   -1.24631     1.3558   0.367025 0.266098  ?        ?         
1 1 1 64 0  32 o 0.580185 0.396988  0.214519     1.37986  0.214519     1.37986  0.214519     1.37986  0.526405 0.351609  ?        ?         
1 1 1 64 0  33 o 0.938068 0.523427  2.58552      1.44352  2.58552      1.44352  2.58552      1.44352  1.17262  0.457748  ?        ?         
1 1 1 64 1  0  o 7.18425  0.105067  51.7438      1.50893  51.7438      1.50893  51.7438      1.50893  7.18875  0.0742291 ?        ?         
1 1 1 64 1  1  o 3.45786  0.0883051 11.9887      0.610692 12.0415      0.876851 11.939       0.851027 3.46049  0.126695  3.4462   0.123473  
1 1 1 64 1  2  o 1.32615  0.2008    1.78322      0.532582 1.13099      0.757388 2.42116      0.74905  1.04494  0.326753  1.54019  0.243168  
1 1 1 64 1  3  o 4.0161   0.0821161 16.1673      0.659573 16.8676      0.947759 15.5097      0.918484 4.09732  0.115656  3.92873  0.116893  
1 1 1 64 1  4  o 1.3175   0.193139  1.75913      0.508922 1.58485      0.70834  1.94509      0.731676 1.21632  0.294009  1.35194  0.280042  
1 1 1 64 1  5  o 0.713576 0.269117  0.389544     0.52363  0.200294     0.743504 0.575792     0.737582 0.746233 0.30788   0.850851 0.31972   
1 1 1 64 1  6  f 7.74047  0.088866  60.0848      1.37573  59.3009      1.87782  60.9929      2.02123  7.67996  0.122255  7.78609  0.129798  
1 1 1 64 1  7  o 5.04364  0.082025  25.4995      0.827409 27.2023      1.24313  24.1451      1.10865  5.20219  0.119481  4.90246  0.113071  
1 1 1 64 1  8  o 2.10974  0.130146  4.4788       0.549148 3.98769      0.790644 4.93653      0.763302 1.98232  0.199423  2.20962  0.172723  
1 1 1 64 1  9  o 1.35912  0.197485  1.87512      0.536812 2.25413      0.780082 1.53421      0.739848 1.45747  0.277601  1.19442  0.30785   
1 1 1 64 1  10 o 1.91772  0.136922  3.70507      0.525154 4.24291      0.744966 3.17379      0.740415 2.04632  0.182025  1.76607  0.209622  
1 1 1 64 1  11 o 7.70199  0.0825574 59.4839      1.27171  58.5219      1.78202  60.4822      1.81539  7.62872  0.116797  7.75535  0.117041  
1 1 1 64 1  12 o 2.92399  0.112467  8.59962      0.657706 9.61304      0.905502 7.4679       0.956896 3.0852   0.146749  2.71336  0.176331  
1 1 1 64 1  13 o 4.13061  0.0855694 17.1246      0.706908 17.2206      1.00034  17.0288      0.9991   4.13469  0.120969  4.11146  0.121502  
1 1 1 64 1  14 o 2.03204  0.142543  4.17299      0.579306 4.86769      0.845507 3.55831      0.795319 2.18499  0.19348   1.86429  0.213303  
1 1 1 64 1  15 o 0.570185 0.253891  -0.196051    0.587282 0.955468     0.854399 -1.22737     0.808579 0.988028 0.347514  0.523917 0.253268  
1 1 1 64 1  16 o 2.66468  0.126766  7.16809      0.675581 6.71428      0.979053 7.58058      0.933411 2.56362  0.190951  2.72972  0.170972  
1 1 1 64 1  17 o 1.9106   0.171841  3.71802      0.65664  3.48546      0.947421 3.93301      0.910912 1.82843  0.25908   1.94973  0.233599  
1 1 1 64 1  18 f 0.520699 0.244069  -0.599821    0.641354 0.210684     0.935751 -1.31788     0.880768 0.808434 0.340132  0.545576 0.263841  
1 1 1 64 1  19 o 1.55689  0.228109  2.51826      0.71028  4.03915      1.00713  1.01322      1.00187  1.96212  0.256643  1.02179  0.374593  
1 1 1 64 1  20 o 2.85296  0.138199  8.25839      0.788555 8.88426      1.10669  7.61294      1.12388  2.94101  0.188148  2.71494  0.20698   
1 1 1 64 1  21 o 2.68862  0.151581  7.37212      0.815087 6.40304      1.13901  8.38926      1.16691  2.47466  0.230135  2.8454   0.205052  
1 1 1 64 1  22 o 2.0263   0.194734  4.24979      0.789177 4.73897      1.09507  3.72121      1.13831  2.11229  0.259214  1.84979  0.307688  
1 1 1 64 1  23 o 0.574306 0.266601  -0.51298     0.735034 -1.83494     1.05419  0.737741     1.0254   0.560658 0.275186  0.931087 0.369667  
1 1 1 64 1  24 o 0.984559 0.331888  1.08506      0.774997 0.893198     1.10388  1.27154      1.08831  0.974728 0.384636  1.06768  0.390516  
1 1 1 64 1  25 o 1.28018  0.301576  1.90164      0.760332 2.10694      1.04885  1.67426      1.10379  1.30412  0.379404  1.16845  0.396082  
1 1 1 64 1  26 o 0.725942 0.304369  0.289143     0.745028 0.894553     1.05133  -0.321583    1.05594  0.941042 0.374095  0.713811 0.326608  
1 1 1 64 1  27 o 1.56262  0.251375  2.72897      0.785608 1.92218      1.09185  3.59501      1.13123  1.19846  0.393934  1.70201  0.344355  
1 1 1 64 1  28 o 1.77619  0.236387  3.53038      0.839737 4.09755      1.16586  2.91892      1.21053  1.80739  0.335103  1.44211  0.403817  
1 1 1 64 1  29 o 2.01773  0.234976  4.66254      0.948238 4.51685      1.39001  4.78936      1.29686  1.76858  0.401981  1.88994  0.35614   
1 1 1 64 1  30 o 0.946727 0.358531  1.26059      0.932602 0.742752     1.32337  1.7715       1.31447  0.860738 0.382316  1.04437  0.417311  
1 1 1 64 1  31 o 0.674023 0.30899   0.15019      0.950126 0.244428     1.29644  0.0408457    1.3965   0.740237 0.34698   0.731533 0.348621  
1 1 1 64 1  32 o 0.848661 0.35575   1.152        1.01745  0.143683     1.42011  2.21549      1.45845  0.731146 0.349181  1.00008  0.422879  
1 1 1 64 2  0  o 0.594923 0.360805  0.376963     0.778495 0.376963     0.778495 0.376963     0.778495 0.540986 0.314722  ?        ?         
1 1 1 64 2  1  o 2.12524  0.132593  4.54532      0.563583 3.76551      0.801839 5.3067       0.7923   1.9254   0.208227  2.29123  0.172898  
1 1 1 64 2  2  o 2.61284  0.10912   6.85624      0.570226 6.19098      0.810494 7.50829      0.802409 2.47617  0.163659  2.72945  0.146991  
1 1 1 64 2  3  o 3.17632  0.0933861 10.1207      0.593249 9.11059      0.821178 11.2234      0.857993 3.00824  0.136488  3.34016  0.128436  
1 1 1 64 2  4  o 1.84488  0.145189  3.42935      0.535714 3.17219      0.762419 3.68013      0.752898 1.76623  0.215832  1.90495  0.197616  
1 1 1 64 2  5  o 5.90364  0.0794184 34.9316      0.937715 34.9643      1.34163  34.9004      1.31116  5.89929  0.113711  5.89449  0.111219  
1 1 1 64 2  6  o 5.6027   0.0779413 31.4591      0.873363 31.6693      1.20494  31.2264      1.26769  5.61577  0.107282  5.57493  0.113695  
1 1 1 64 2  7  o 4.38449  0.0822647 19.2725      0.721378 19.3211      1.03105  19.226       1.00965  4.38417  0.117588  4.37378  0.115421  
1 1 1 64 2  8  o 1.70535  0.157285  2.9364       0.536452 2.40851      0.786643 3.39532      0.733462 1.50903  0.27044   1.82829  0.200587  
1 1 1 64 2  9  o 3.72391  0.087844  13.9101      0.654246 13.8046      0.927766 14.0145      0.922742 3.70384  0.125244  3.73219  0.123619  
1 1 1 64 2  10 o 2.36163  0.12183   5.61073      0.575438 5.16363      0.826292 6.03176      0.801842 2.25696  0.183054  2.44256  0.16414   
1 1 1 64 2  11 o 5.25235  0.0837556 27.6752      0.879828 27.0035      1.1953   28.4695      1.29979  5.18082  0.115358  5.31764  0.122215  
1 1 1 64 2  12 o 3.14809  0.101578  9.96156      0.639553 10.1576      0.87781  9.73974      0.933704 3.17204  0.138367  3.10345  0.15043   
1 1 1 64 2  13 o 3.13495  0.10279   9.88099      0.644479 9.34147      0.883966 10.4932      0.941626 3.03996  0.145391  3.22174  0.146136  
1 1 1 64 2  14 o 1.88709  0.158251  3.61088      0.597268 3.53601      0.827967 3.6921       0.862416 1.85472  0.223206  1.89418  0.227649  
1 1 1 64 2  15 o 4.18049  0.0903692 17.5599      0.755575 16.1464      1.04942  19.0814      1.08875  3.99815  0.131239  4.34832  0.125192  
1 1 1 64 2  16 o 1.38681  0.224711  1.98281      0.623263 1.91365      0.893068 2.04848      0.870231 1.31316  0.338095  1.36236  0.32373   
1 1 1 64 2  17 o 3.58308  0.111067  12.9426      0.795923 12.3962      1.15916  13.43        1.09481  3.48919  0.166107  3.6376   0.150485  
1 1 1 64 2  18 o 0.616225 0.271648  -0.123148    0.651285 0.263115     0.925687 -0.501779    0.916495 0.814442 0.340243  0.667148 0.304849  
1 1 1 64 2  19 o 0.993084 0.311883  1.06393      0.689032 0.346217     0.976411 1.77588      0.972477 0.848108 0.351559  1.25277  0.365608  
1 1 1 64 2  20 o 1.3571   0.278318  2.01595      0.72942  2.39822      1.0325   1.63507      1.03061  1.44975  0.357805  1.20431  0.381899  
1 1 1 64 2  21 o 1.94574  0.201148  3.92073      0.782764 5.33891      1.11755  2.55488      1.09674  2.25033  0.248308  1.48403  0.370303  
1 1 1 64 2  22 o 0.695633 0.30155   0.0264347    0.775221 -0.162632    1.10445  0.210041     1.08838  0.780451 0.347827  0.840569 0.360699  
1 1 1 64 2  23 o 1.82296  0.203922  3.48497      0.743484 3.01449      1.04652  3.96442      1.05645  1.61096  0.335838  1.9073   0.276948  
1 1 1 64 2  24 o 3.19856  0.132359  10.4579      0.846713 11.1553      1.2327   9.83489      1.16503  3.26685  0.188668  3.06651  0.18996   
1 1 1 64 2  25 o 1.26337  0.304728  1.87275      0.762189 2.04857      1.01951  1.64997      1.14762  1.28172  0.374437  1.15286  0.403018  
1 1 1 64 2  26 o 0.952391 0.324422  1.06692      0.740524 0.578129     1.03984  1.5699       1.05483  0.861069 0.360225  1.10888  0.386502  
1 1 1 64 2  27 o 2.1769   0.197228  5.09197      0.858691 5.00881      1.19067  5.18209      1.23955  2.08139  0.286029  2.10921  0.293841  
1 1 1 64 2  28 o 2.13295  0.21132   5.02232      0.901469 5.81494      1.26839  4.21331      1.28145  2.20906  0.287089  1.7714   0.373382  
1 1 1 64 2  29 o 0.656236 0.300709  -0.117619    0.898811 0.731714     1.28566  -0.929554    1.25704  0.86664  0.3819    0.657879 0.317609  
1 1 1 64 2  30 o 1.01943  0.365515  1.6063       0.949272 1.88637      1.30627  1.29287      1.38187  1.03771  0.415441  0.92437  0.401683  
1 1 1 64 2  31 o 0.905046 0.359995  1.37201      0.974097 1.86274      1.36336  0.860267     1.39225  0.958172 0.407179  0.809834 0.372415  
1 1 1 64 2  32 o 0.552683 0.269719  -0.762498    0.977596 -1.80675     1.39239  0.252682     1.37287  0.570696 0.285348  0.716399 0.342421  
1 1 1 64 3  0  o 1.6034   0.294339  2.84753      0.848778 2.84753      0.848778 2.84753      0.848778 1.65154  0.187176  ?        ?         
1 1 1 64 3  1  o 6.42705  0.0774874 41.3958      0.996031 41.5593      1.41227  41.234       1.40496  6.43265  0.109774  6.40746  0.109635  
1 1 1 64 3  2  o 5.3851   0.0805509 29.0667      0.86755  28.4656      1.25458  29.6175      1.20098  5.32197  0.117868  5.43021  0.110583  
1 1 1 64 3  3  o 4.37552  0.0821848 19.1914      0.719202 18.5018      1.05869  19.7823      0.980069 4.2896   0.123402  4.43797  0.110419  
1 1 1 64 3  4  o 2.50249  0.112035  6.29096      0.560732 5.6761       0.757341 7.03696      0.834209 2.37142  0.159681  2.6407   0.157952  
1 1 1 64 3  5  o 3.46549  0.0906933 12.0464      0.628593 12.122       0.855263 11.9576      0.926994 3.47182  0.123172  3.44633  0.13449   
1 1 1 64 3  6  o 2.97417  0.0945058 8.87605      0.562153 9.29726      0.784953 8.43255      0.805453 3.0394   0.12913   2.89311  0.139202  
1 1 1 64 3  7  o 1.16099  0.233248  1.4233       0.522536 1.54727      0.785662 1.32496      0.699734 1.19859  0.321165  1.11255  0.305348  
1 1 1 64 3  8  o 4.4063   0.0826994 19.4686      0.728797 20.0077      1.07555  19.0108      0.990986 4.45997  0.120578  4.3488   0.113938  
1 1 1 64 3  9  o 2.51535  0.111274  6.35891      0.559788 6.92205      0.82076  5.86911      0.76545  2.61776  0.156768  2.41013  0.158798  
1 1 1 64 3  10 o 4.6064   0.0854351 21.2895      0.787096 22.8384      1.15649  19.9529      1.07429  4.76298  0.121404  4.45212  0.12065   
1 1 1 64 3  11 o 1.71536  0.158502  2.97935      0.543776 2.78795      0.783826 3.15694      0.755013 1.64674  0.237993  1.75677  0.214886  
1 1 1 64 3  12 o 1.44449  0.192313  2.12582      0.555591 2.6717       0.768726 1.52884      0.803901 1.61136  0.238533  1.18515  0.328172  
1 1 1 64 3  13 o 3.97877  0.092695  15.9051      0.737624 16.3255      1.0274   15.4578      1.05966  4.02249  0.127707  3.91198  0.135438  
1 1 1 64 3  14 o 4.02     0.0931913 16.2417      0.749259 15.306       1.0434   17.2378      1.0766   3.89205  0.134043  4.13154  0.13029   
1 1 1 64 3  15 o 2.84882  0.119725  8.18599      0.682153 7.39266      0.947085 9.04124      0.983356 2.69383  0.175788  2.9824   0.16486   
1 1 1 64 3  16 o 2.96242  0.118909  8.85537      0.704517 8.31872      0.988635 9.40908      1.00422  2.85676  0.173034  3.04079  0.165125  
1 1 1 64 3  17 o 4.49935  0.09735   20.378       0.876023 18.7309      1.26956  21.875       1.21033  4.29534  0.147783  4.64969  0.130151  
1 1 1 64 3  18 o 0.808781 0.301627  0.569723     0.65403  1.03298      0.94409  0.142243     0.906906 1.01717  0.364535  0.780328 0.331863  
1 1 1 64 3  19 f 2.75435  0.141546  7.70299      0.779731 8.37646      1.19204  7.19933      1.03085  2.8467   0.209372  2.64487  0.194878  
1 1 1 64 3  20 o 2.24365  0.168443  5.15777      0.755853 6.16972      1.07108  4.15387      1.06681  2.43353  0.220067  1.97691  0.269817  
1 1 1 64 3  21 o 0.638469 0.286908  -0.248942    0.765365 -0.278908    1.10252  -0.22107     1.06333  0.76539  0.344124  0.761077 0.340183  
1 1 1 64 3  22 o 1.57659  0.244089  2.64745      0.769656 1.90187      1.0697   3.44773      1.10824  1.26106  0.387119  1.73524  0.331203  
1 1 1 64 3  23 o 0.623004 0.279907  -0.201257    0.728146 -0.932877    1.02149  0.554524     1.03822  0.634712 0.300427  0.885243 0.364286  
1 1 1 64 3  24 o 1.18309  0.311424  1.63654      0.747007 1.59312      1.07647  1.67687      1.03747  1.14744  0.391149  1.17282  0.383998  
1 1 1 64 3  25 o 0.76295  0.313653  0.401466     0.768919 -0.172762    1.03828  1.09889      1.14426  0.732266 0.331325  1.00403  0.392889  
1 1 1 64 3  26 o 0.778155 0.31728   0.491186     0.78036  0.420268     1.05812  0.575756     1.15549  0.827654 0.355419  0.877053 0.373844  
1 1 1 64 3  27 o 0.912998 0.336844  0.977199     0.811293 0.776763     1.11048  1.20665      1.18813  0.898194 0.373779  0.998137 0.397407  
1 1 1 64 3  28 o 1.38949  0.329017  2.51952      0.901358 3.1427       1.24829  1.84064      1.30289  1.45356  0.411054  1.09502  0.42113   
1 1 1 64 3  29 o 0.778944 0.331335  0.561022     0.904318 -0.611491    1.24143  1.88661      1.31998  0.682512 0.326079  1.07667  0.421843  
1 1 1 64 3  30 o 1.54471  0.339174  3.42873      1.01934  4.87864      1.4345   1.94988      1.44875  1.70536  0.422272  0.999703 0.422034  
1 1 1 64 3  31 o 0.69139  0.314718  0.286818     0.959816 -0.145322    1.36925  0.704299     1.34582  0.703254 0.337533  0.79172  0.36492   
1 1 1 64 3  32 o 0.703371 0.320428  0.649992     0.99933  2.07132      1.45103  -0.632423    1.3783   0.875482 0.394138  0.614358 0.30376   
1 1 1 64 4  0  o 5.19777  0.106479  27.1071      1.10586  27.1071      1.10586  27.1071      1.10586  5.20209  0.0751938 ?        ?         
1 1 1 64 4  1  o 2.37486  0.120432  5.67018      0.572016 5.79837      0.823007 5.55038      0.795596 2.39485  0.171828  2.34339  0.169753  
1 1 1 64 4  2  o 1.3519   0.201885  1.8554       0.545855 2.27932      0.770043 1.42723      0.773881 1.46751  0.272568  1.15475  0.32272   
1 1 1 64 4  3  o 6.56098  0.0771974 43.1435      1.01298  43.2262      1.42855  43.0599      1.43663  6.55991  0.108885  6.54705  0.109716  
1 1 1 64 4  4  o 1.59991  0.16989   2.58822      0.543618 2.44888      0.742839 2.7489       0.79767  1.54774  0.239975  1.63932  0.243293  
1 1 1 64 4  5  o 3.27257  0.0888954 10.7432      0.581834 10.5374      0.841243 10.9319      0.805589 3.23535  0.130008  3.29664  0.122184  
1 1 1 64 4  6  o 1.5019   0.167232  2.28082      0.502331 3.02601      0.729294 1.60813      0.69291  1.7242   0.211488  1.2245   0.287532  
1 1 1 64 4  7  o 3.68428  0.089663  13.6178      0.660688 14.3984      0.962395 12.9219      0.908628 3.78214  0.127229  3.58305  0.126795  
1 1 1 64 4  8  o 4.249    0.0851832 18.1088      0.723887 19.7069      1.05153  16.6692      0.998026 4.42607  0.118788  4.06989  0.122611  
1 1 1 64 4  9  o 2.61     0.111681  6.85152      0.582978 6.49377      0.818572 7.21974      0.830466 2.53302  0.16158   2.67206  0.155398  
1 1 1 64 4  10 o 3.49725  0.0961572 12.2872      0.672572 11.8325      0.932219 12.7809      0.971304 3.42413  0.136125  3.55862  0.136472  
1 1 1 64 4  11 o 2.29253  0.12767   5.29923      0.585375 5.13528      0.817865 5.47143      0.8382   2.24728  0.181968  2.31994  0.180651  
1 1 1 64 4  12 o 2.42947  0.125007  5.95232      0.607401 5.84425      0.821281 6.08281      0.90243  2.39845  0.171211  2.44379  0.184638  
1 1 1 64 4  13 o 1.18679  0.256404  1.51441      0.59132  2.31378      0.823005 0.661414     0.850161 1.46299  0.29161   0.898938 0.341764  
1 1 1 64 4  14 o 3.95556  0.0957642 15.732       0.757603 16.8503      1.06181  14.5723      1.08128  4.08435  0.129985  3.79443  0.142483  
1 1 1 64 4  15 o 2.11863  0.15246   4.55402      0.646014 4.84087      0.891369 4.23667      0.937585 2.1714   0.205252  2.0242   0.231594  
1 1 1 64 4  16 o 3.2235   0.112167  10.479       0.723142 10.1528      1.00379  10.831       1.04268  3.15958  0.158848  3.26309  0.159768  
1 1 1 64 4  17 o 1.73588  0.194419  3.09808      0.674976 3.06714      0.95737  3.12866      0.951775 1.70212  0.281229  1.72067  0.276571  
1 1 1 64 4  18 o 1.64213  0.209503  2.78653      0.68806  3.3344       0.997444 2.28913      0.950389 1.77345  0.281215  1.42643  0.337901  
1 1 1 64 4  19 o 1.26246  0.283533  1.75648      0.698327 0.625564     1.00538  2.8107       0.970695 0.918065 0.365556  1.59101  0.31629   
1 1 1 64 4  20 o 1.59274  0.233317  2.65847      0.743226 4.87582      1.08445  0.69448      1.02061  2.14862  0.25236   0.933785 0.369413  
1 1 1 64 4  21 o 1.19327  0.313715  1.62211      0.758631 2.24541      1.08636  1.02884      1.05987  1.37547  0.381697  1.01706  0.383043  
1 1 1 64 4  22 o 0.751744 0.309549  0.324009     0.750137 -0.107693    1.0292   0.813221     1.09561  0.757036 0.336626  0.95932  0.381725  
1 1 1 64 4  23 o 1.58012  0.237054  2.67313      0.749148 2.62949      1.05485  2.71754      1.06412  1.4799   0.359454  1.50617  0.358034  
1 1 1 64 4  24 o 0.498885 0.240881  -0.967597    0.723598 -1.51793     1.00233  -0.368627    1.04569  0.56045  0.273437  0.71086  0.325158  
1 1 1 64 4  25 o 1.86545  0.211815  3.74034      0.790262 3.67558      1.10728  3.80756      1.12821  1.74913  0.328619  1.78043  0.329226  
1 1 1 64 4  26 o 1.73695  0.242285  3.35182      0.841677 4.22312      1.10117  2.12753      1.30531  1.91155  0.288032  1.2284   0.429778  
1 1 1 64 4  27 o 0.675566 0.302415  0.00228192   0.843124 -0.270663    1.2259   0.247275     1.16143  0.741395 0.344217  0.798954 0.356363  
1 1 1 64 4  28 o 0.87842  0.346548  0.96096      0.89588  1.77354      1.26054  0.131604     1.27349  1.06842  0.413538  0.781065 0.357922  
1 1 1 64 4  29 o 1.95069  0.243947  4.4688       0.951729 6.21386      1.31452  2.54625      1.37975  2.22592  0.295275  1.20424  0.439781  
1 1 1 64 4  30 o 1.10041  0.377412  2.06681      1.00234  3.04571      1.41866  1.09103      1.41639  1.20352  0.445148  0.852112 0.386191  
1 1 1 64 4  31 o 0.963058 0.372934  1.65619      1.02542  1.00363      1.53794  2.17847      1.37587  0.826913 0.384546  1.00788  0.417526  
1 1 1 64 5  0  o 6.56085  0.1087    43.1802      1.42545  43.1802      1.42545  43.1802      1.42545  6.56601  0.0767785 ?        ?         
1 1 1 64 5  1  o 1.15868  0.248267  1.42606      0.558677 1.66969      0.777653 1.16619      0.803141 1.2445   0.312596  1.06071  0.337207  
1 1 1 64 5  2  o 2.95543  0.100569  8.76952      0.594448 8.29023      0.830013 9.27425      0.851763 2.86742  0.144732  3.03356  0.14039   
1 1 1 64 5  3  o 3.76581  0.0843922 14.2214      0.635609 13.3387      0.886694 15.1543      0.911598 3.6415   0.121748  3.88222  0.117407  
1 1 1 64 5  4  o 0.803283 0.266398  0.634961     0.49932  1.15675      0.709686 0.123449     0.702658 1.0475   0.314077  0.707619 0.296079  
1 1 1 64 5  5  o 3.35241  0.0897852 11.275       0.601993 11.447       0.850982 11.1026      0.851711 3.3725   0.126165  3.32103  0.12823   
1 1 1 64 5  6  o 2.88853  0.0994469 8.3771       0.574511 9.07839      0.823338 7.71161      0.802044 3.00146  0.137156  2.76506  0.145032  
1 1 1 64 5  7  o 0.882061 0.273512  0.804499     0.532173 1.1701       0.756644 0.446603     0.748632 1.05448  0.325964  0.812085 0.317789  
1 1 1 64 5  8  o 2.58035  0.120091  6.70432      0.619752 7.1348       0.96109  6.39789      0.81086  2.65037  0.181312  2.51383  0.16128   
1 1 1 64 5  9  o 4.766    0.0869379 22.8007      0.828692 20.2629      1.14878  25.5541      1.19657  4.48313  0.128123  5.03743  0.118768  
1 1 1 64 5  10 o 4.49094  0.0869083 20.2461      0.7806   18.7614      1.14891  21.5191      1.06386  4.31199  0.133223  4.62331  0.115054  
1 1 1 64 5  11 o 1.86278  0.15863   3.51717      0.590983 3.39686      0.920256 3.60161      0.770973 1.81161  0.253988  1.87642  0.205437  
1 1 1 64 5  12 o 0.859115 0.296203  0.719737     0.61809  1.64532      0.938169 0.00986642   0.821605 1.22334  0.35977   0.725887 0.312492  
1 1 1 64 5  13 o 0.55447  0.252638  -0.360806    0.621789 0.512907     0.894482 -1.17777     0.864946 0.870902 0.345424  0.556277 0.2673    
1 1 1 64 5  14 o 2.47725  0.130394  6.20137      0.646034 6.47219      0.901348 5.91526      0.926428 2.51896  0.178913  2.40438  0.192654  
1 1 1 64 5  15 o 6.89152  0.090973  47.7525      1.25389  54.0029      1.82383  42.1502      1.72668  7.31109  0.12473   6.45419  0.133764  
1 1 1 64 5  16 o 1.73104  0.18794   3.07312      0.650663 3.32815      0.902946 2.79765      0.938434 1.78354  0.253133  1.59796  0.304576  
1 1 1 64 5  17 o 2.69253  0.133368  7.34697      0.718192 7.19588      0.99292  7.51275      1.04007  2.64763  0.187511  2.70346  0.19236   
1 1 1 64 5  18 o 0.817809 0.309531  0.564196     0.694778 -0.0132466   1.01285  1.07738      0.95484  0.786501 0.342848  1.0303   0.366867  
1 1 1 64 5  19 o 0.774649 0.306584  0.426766     0.703236 0.455134     1.01523  0.4006       0.975039 0.877562 0.360526  0.853784 0.352452  
1 1 1 64 5  20 o 2.65933  0.146247  7.21321      0.777839 6.6091       1.07077  7.88818      1.13183  2.51827  0.212601  2.75489  0.205422  
1 1 1 64 5  21 o 0.701335 0.297814  0.144753     0.728379 -0.05662     1.01736  0.356526     1.0433   0.765162 0.338121  0.851347 0.358712  
1 1 1 64 5  22 o 0.81372  0.318567  0.558729     0.752473 0.671039     1.02708  0.428597     1.10557  0.908706 0.366471  0.875471 0.369087  
1 1 1 64 5  23 o 0.995425 0.328254  1.13236      0.758118 0.811341     1.11111  1.41198      1.037    0.950383 0.382041  1.09478  0.383065  
1 1 1 64 5  24 o 1.58623  0.235761  2.73084      0.747942 1.95116      1.04812  3.53984      1.06765  1.23982  0.383724  1.7336   0.319945  
1 1 1 64 5  25 o 1.12976  0.338319  1.59512      0.823816 1.61612      1.08175  1.56614      1.27114  1.1137   0.391094  1.09901  0.417879  
1 1 1 64 5  26 o 1.14553  0.345725  1.67844      0.858031 1.46758      1.12227  1.97512      1.33118  1.06287  0.395366  1.18108  0.431908  
1 1 1 64 5  27 o 1.34062  0.327822  2.33097      0.872852 2.37355      1.17595  2.27873      1.30252  1.26185  0.408732  1.20938  0.428701  
1 1 1 64 5  28 o 1.87617  0.255729  4.15503      0.959583 4.5139       1.3159   3.74748      1.40233  1.7898   0.379189  1.53101  0.436554  
1 1 1 64 5  29 o 0.803972 0.336811  0.801429     0.911078 0.865789     1.28273  0.735906     1.29427  0.843722 0.375471  0.825365 0.371871  
1 1 1 64 5  30 o 0.639959 0.300185  -0.0677485   0.976521 0.611627     1.42671  -0.666542    1.33943  0.780091 0.365362  0.649279 0.316653  
1 1 1 64 5  31 o 0.691207 0.319185  0.366014     1.03587  0.222329     1.61633  0.466162     1.34941  0.729089 0.353637  0.731315 0.345749  
1 1 1 64 6  0  o 2.1527   0.201221  4.79056      0.848941 4.79056      0.848941 4.79056      0.848941 2.17122  0.139561  ?        ?         
1 1 1 64 6  1  o 3.85487  0.0888403 14.9071      0.684936 14.1453      0.958265 15.7027      0.979372 3.74867  0.127814  3.95042  0.123958  
1 1 1 64 6  2  o 5.42954  0.0753089 29.5471      0.817786 28.7937      1.1634   30.2829      1.14977  5.35318  0.108664  5.4908   0.1047    
1 1 1 64 6  3  o 4.1985   0.0797059 17.6726      0.669291 17.8276      0.941998 17.5145      0.951108 4.21155  0.111835  4.17401  0.113932  
1 1 1 64 6  4  o 3.40976  0.090201  11.6655      0.615128 12.7841      0.881624 10.6044      0.858674 3.56413  0.12368   3.24461  0.132323  
1 1 1 64 6  5  o 5.64503  0.0790052 31.9529      0.891973 31.1314      1.29589  32.6925      1.2296   5.56307  0.116473  5.70326  0.107798  
1 1 1 64 6  6  o 5.96033  0.0763626 35.6219      0.910292 36.5438      1.30393  34.7455      1.27138  6.02879  0.108142  5.87858  0.108137  
1 1 1 64 6  7  o 0.710515 0.278066  0.335394     0.5732   0.398286     0.859283 0.28497      0.769399 0.835019 0.335843  0.7733   0.31513   
1 1 1 64 6  8  o 3.48721  0.0953442 12.2163      0.66497  12.1286      1.02563  12.2798      0.873419 3.46361  0.148058  3.49058  0.125111  
1 1 1 64 6  9  o 4.96851  0.0811717 24.7695      0.806605 23.913       1.19061  25.4961      1.09661  4.87144  0.122203  5.03405  0.108919  
1 1 1 64 6  10 o 2.99329  0.105906  9.01452      0.634016 9.79066      0.965935 8.42704      0.840385 3.10856  0.155367  2.88627  0.145583  
1 1 1 64 6  11 o 1.45451  0.200088  2.16417      0.582062 2.11464      0.91617  2.19769      0.753725 1.38424  0.334227  1.43092  0.273156  
1 1 1 64 6  12 o 1.90525  0.164327  3.68779      0.626165 3.90937      0.985531 3.5378       0.810866 1.94062  0.253922  1.85493  0.218571  
1 1 1 64 6  13 o 1.07693  0.291707  1.26197      0.643808 1.18485      0.973168 1.32199      0.858534 1.07524  0.371578  1.10644  0.348268  
1 1 1 64 6  14 o 3.69873  0.101809  13.7729      0.753128 12.8069      1.09661  14.6353      1.03613  3.55106  0.154406  3.80257  0.13624   
1 1 1 64 6  15 o 1.37211  0.250354  2.01988      0.661544 2.23433      0.976615 1.83804      0.899289 1.40944  0.348067  1.28042  0.343838  
1 1 1 64 6  16 o 1.40605  0.231578  2.05649      0.651219 0.780906     0.92545  3.30763      0.916539 0.941854 0.357016  1.77493  0.25819   
1 1 1 64 6  17 o 2.47945  0.141619  6.24198      0.702277 6.35202      1.01633  6.14142      0.971524 2.48078  0.204841  2.44146  0.198964  
1 1 1 64 6  18 o 0.730583 0.299699  0.267863     0.700518 0.378537     0.983949 0.154107     0.997556 0.853525 0.353304  0.810266 0.346427  
1 1 1 64 6  19 o 1.19597  0.298888  1.59975      0.713667 1.22582      0.991033 2.00254      1.02857  1.07039  0.374484  1.31368  0.373652  
1 1 1 64 6  20 o 1.71437  0.225394  3.09313      0.772817 3.07679      1.07204  3.1108       1.11509  1.63736  0.338833  1.63905  0.350394  
1 1 1 64 6  21 o 0.526702 0.25052   -0.766922    0.718042 0.324323     0.997647 -1.93977     1.03427  0.827889 0.349895  0.542779 0.267322  
1 1 1 64 6  22 o 0.781834 0.313209  0.458295     0.743167 0.946046     1.00651  -0.126349    1.10196  0.969204 0.370875  0.773052 0.345901  
1 1 1 64 6  23 o 1.32874  0.285783  2.02849      0.737675 2.485        1.03542  1.55794      1.05122  1.42319  0.362646  1.13048  0.386534  
1 1 1 64 6  24 o 0.881513 0.331256  0.823062     0.791785 0.900362     1.10426  0.741265     1.13592  0.946436 0.380692  0.917445 0.379677  
1 1 1 64 6  25 o 2.86108  0.160111  8.57943      0.916182 8.21027      1.18454  9.1291       1.44541  2.74889  0.215457  2.85578  0.253068  
1 1 1 64 6  26 o 0.504136 0.245872  -1.15324     0.807735 -2.20164     1.16448  -0.181046    1.12136  0.548102 0.272515  0.730183 0.335132  
1 1 1 64 6  27 o 0.860138 0.3435    0.875325     0.890113 1.42442      1.18415  0.162032     1.34964  1.00046  0.39724   0.802429 0.368028  
1 1 1 64 6  28 o 0.678648 0.308882  0.00770725   0.923963 0.92165      1.26072  -1.05281     1.35806  0.886347 0.384393  0.666851 0.32367   
1 1 1 64 6  29 o 0.618461 0.291347  -0.260701    0.944378 -0.859348    1.36136  0.294614     1.31116  0.65134  0.317941  0.753513 0.352206  
1 1 1 64 6  30 o 0.663315 0.310118  0.0138424    1.01726  0.890609     1.5721   -0.617688    1.33424  0.8265   0.386065  0.657726 0.319735  
1 1 1 64 6  31 o 0.770639 0.340779  1.06127      1.03587  2.01886      1.63699  0.421756     1.33777  0.845792 0.394641  0.693013 0.332863  
1 1 1 64 7  0  f 3.24714  0.15837   10.6754      1.02292  10.6754      1.02292  10.6754      1.02292  3.25728  0.111325  ?        ?         
1 1 1 64 7  1  o 7.51252  0.0765847 56.5817      1.15069  54.6572      1.64078  58.4442      1.61418  7.37314  0.111268  7.62625  0.10583   
1 1 1 64 7  2  o 2.24575  0.12341   5.07734      0.554294 3.80854      0.817791 6.15559      0.753884 1.93244  0.211595  2.4683   0.152713  
1 1 1 64 7  3  o 1.72372  0.158523  3.00525      0.546498 2.59495      0.778085 3.40471      0.767749 1.58931  0.244787  1.82688  0.210126  
1 1 1 64 7  4  o 3.0942   0.0953025 9.61548      0.58977  9.41623      0.827916 9.82076      0.840344 3.05531  0.135488  3.12042  0.134653  
1 1 1 64 7  5  o 5.17455  0.0809115 26.8631      0.837362 25.7817      1.15499  28.0614      1.21577  5.06134  0.114099  5.28007  0.115128  
1 1 1 64 7  6  o 7.78358  0.0811832 60.7844      1.26379  59.0221      1.80323  62.4856      1.77173  7.65611  0.117764  7.87995  0.11242   
1 1 1 64 7  7  o 2.38218  0.126672  5.72096      0.603511 6.47473      0.921677 5.15521      0.7985   2.52331  0.182633  2.25264  0.177236  
1 1 1 64 7  8  o 2.96973  0.103472  8.86872      0.614569 8.92633      0.899092 8.81819      0.841981 2.96989  0.151368  2.95384  0.142523  
1 1 1 64 7  9  o 1.14512  0.241287  1.40153      0.535298 0.615059     0.757688 2.18526      0.756365 0.860678 0.323923  1.42724  0.274781  
1 1 1 64 7  10 o 3.20148  0.0996133 10.3079      0.637819 9.34521      0.885435 11.3463      0.919557 3.03843  0.145706  3.35027  0.137236  
1 1 1 64 7  11 o 0.711888 0.275656  0.362552     0.560218 0.347155     0.792719 0.377915     0.791818 0.79419  0.321267  0.80217  0.32249   
1 1 1 64 7  12 o 1.58774  0.186837  2.57493      0.593298 1.39598      0.845601 3.71804      0.832649 1.13163  0.343549  1.90021  0.219095  
1 1 1 64 7  13 o 0.48333  0.229999  -0.718483    0.605861 -0.158872    0.856716 -1.27836     0.856918 0.703953 0.310778  0.539576 0.260819  
1 1 1 64 7  14 f 2.36271  0.136829  5.65491      0.646574 5.87919      0.926679 5.44213      0.902585 2.39382  0.193557  2.30237  0.196012  
1 1 1 64 7  15 o 3.15392  0.118688  10.0519      0.748666 10.5497      1.12525  9.65651      1.00284  3.21154  0.175189  3.07722  0.162946  
1 1 1 64 7  16 o 2.89973  0.128818  8.51458      0.747078 10.0051      1.13634  7.3799       0.991468 3.12398  0.181874  2.68193  0.184842  
1 1 1 64 7  17 o 2.24977  0.152929  5.15612      0.688109 4.26484      0.975684 6.03815      0.970602 2.01856  0.241679  2.41865  0.20065   
1 1 1 64 7  18 o 2.7132   0.132147  7.47435      0.717083 7.16205      1.00403  7.79951      1.0245   2.63455  0.190551  2.75122  0.18619   
1 1 1 64 7  19 o 0.991001 0.318423  1.07845      0.714756 0.751113     0.981717 1.4477       1.04267  0.933495 0.364196  1.13464  0.384959  
1 1 1 64 7  20 o 1.83724  0.208089  3.53928      0.76462  4.03899      1.05885  2.99475      1.10532  1.92958  0.274373  1.59636  0.355451  
1 1 1 64 7  21 o 2.00253  0.184769  4.17846      0.740012 4.0448       1.03025  4.32092      1.06361  1.92857  0.267103  1.99351  0.266769  
1 1 1 64 7  22 o 1.78677  0.223588  3.40474      0.799    4.44947      1.11412  2.29842      1.14649  2.00875  0.277317  1.35346  0.39761   
1 1 1 64 7  23 o 1.83277  0.208792  3.58377      0.765339 4.37175      1.04411  2.66874      1.12514  1.98841  0.262548  1.45147  0.382262  
1 1 1 64 7  24 o 2.22075  0.195549  5.27219      0.868528 4.42044      1.13195  6.49145      1.35431  1.95974  0.288801  2.37937  0.284594  
1 1 1 64 7  25 o 2.15587  0.199082  5.00455      0.858393 5.71071      1.18734  4.23133      1.24244  2.24236  0.264752  1.83609  0.350884  
1 1 1 64 7  26 o 1.07216  0.342314  1.52749      0.826998 1.05133      1.15564  2.02729      1.18397  0.936401 0.384667  1.16864  0.409273  
1 1 1 64 7  27 f 0.780113 0.330042  0.563244     0.889138 0.721506     1.17723  0.353075     1.35662  0.852297 0.370563  0.820936 0.373813  
1 1 1 64 7  28 o 0.838999 0.346119  0.893944     0.939567 1.12875      1.26378  0.603775     1.40489  0.900674 0.387649  0.832235 0.379346  
1 1 1 64 7  29 o 0.986797 0.376068  1.71563      1.03143  0.295947     1.55917  2.82034      1.37537  0.766392 0.365981  1.15576  0.436073  
1 1 1 64 7  30 o 0.567009 0.277979  -0.942293    1.07041  -0.613776    1.78058  -1.1282      1.33946  0.706988 0.34852   0.610303 0.301198  
1 1 1 64 8  0  o 4.14685  0.111065  17.2859      0.919643 17.2859      0.919643 17.2859      0.919643 4.15228  0.0783677 ?        ?         
1 1 1 64 8  1  o 5.18058  0.0765963 26.9167      0.793626 26.4423      1.12612  27.3848      1.11863  5.12697  0.109823  5.21828  0.107184  
1 1 1 64 8  2  f 2.34228  0.122332  5.52718      0.57307  4.11777      0.818871 6.88003      0.802271 2.00867  0.203834  2.60775  0.153825  
1 1 1 64 8  3  o 4.93887  0.0771277 24.465       0.761847 23.6129      1.08226  25.3021      1.07263  4.84428  0.111705  5.01586  0.106924  
1 1 1 64 8  4  o 4.98199  0.0809843 24.9021      0.806926 24.7591      1.16264  25.035       1.12084  4.95878  0.11723   4.98772  0.11236   
1 1 1 64 8  5  f 0.582086 0.254279  -0.087365    0.559595 -0.879215    0.890515 0.429368     0.719371 0.606757 0.284981  0.794229 0.31137   
1 1 1 64 8  6  o 4.44077  0.0838872 19.7922      0.745047 19.2835      1.134    20.1786      0.988281 4.37227  0.129681  4.47795  0.11035   
1 1 1 64 8  7  o 1.23514  0.231806  1.61682      0.551512 0.887133     0.786774 2.32175      0.773312 0.954709 0.3337    1.47324  0.272709  
1 1 1 64 8  8  o 2.7684   0.112431  7.71891      0.622509 8.26244      0.901064 7.22262      0.861021 2.85427  0.157845  2.66779  0.161374  
1 1 1 64 8  9  o 2.28723  0.129134  5.28194      0.590717 4.03747      0.826476 6.58165      0.84462  1.98452  0.208231  2.54521  0.165923  
1 1 1 64 8  10 o 1.93357  0.152265  3.79017      0.58883  3.79716      0.832529 3.78317      0.832934 1.92201  0.216578  1.91834  0.217097  
1 1 1 64 8  11 o 2.27967  0.134176  5.25443      0.611753 5.75744      0.88338  4.79091      0.848002 2.37411  0.186045  2.16318  0.196008  
1 1 1 64 8  12 o 1.29359  0.240264  1.7856       0.598336 1.78171      0.859247 1.78926      0.833683 1.26644  0.334296  1.27059  0.326382  
1 1 1 64 8  13 o 2.45506  0.134491  6.10231      0.660365 6.14973      0.943244 6.05673      0.924822 2.44883  0.192591  2.43098  0.190216  
1 1 1 64 8  14 o 3.16176  0.112798  10.0915      0.713283 9.20341      1.04387  10.8693      0.976927 3.00022  0.173965  3.2699   0.149382  
1 1 1 64 8  15 o 5.06168  0.0941061 25.7925      0.95267  27.2318      1.37099  24.4486      1.32476  5.18415  0.132229  4.91078  0.134882  
1 1 1 64 8  16 o 2.19168  0.153929  4.89146      0.674727 4.1116       0.95479  5.66942      0.953628 1.98373  0.240655  2.34381  0.203436  
1 1 1 64 8  17 o 1.86586  0.185464  3.58612      0.692102 3.62568      1.0328   3.55387      0.932438 1.84211  0.28033   1.83426  0.254172  
1 1 1 64 8  18 o 2.514    0.150279  6.45058      0.755602 6.15024      1.03821  6.78883      1.10179  2.42977  0.213644  2.55172  0.215891  
1 1 1 64 8  19 o 1.07998  0.311515  1.32493      0.710047 0.899016     0.985934 1.78386      1.02343  0.966619 0.367884  1.22893  0.37894   
1 1 1 64 8  20 o 1.29926  0.292494  1.92029      0.741718 2.19124      1.02523  1.62273      1.07439  1.34931  0.369288  1.16834  0.39077   
1 1 1 64 8  21 o 0.699459 0.29725   0.16263      0.726633 -0.471741    0.978084 0.94402      1.08552  0.677289 0.311749  0.980215 0.382856  
1 1 1 64 8  22 o 0.664712 0.294475  -0.0657568   0.778267 -0.190432    1.05101  0.085602     1.15803  0.738861 0.33388   0.815223 0.360427  
1 1 1 64 8  23 o 2.05462  0.210427  4.53043      0.864694 5.02536      1.11886  3.79639      1.36257  2.1222   0.263608  1.70434  0.405142  
1 1 1 64 8  24 o 0.845595 0.334503  0.709316     0.836781 0.281003     1.08093  1.34985      1.32187  0.805981 0.352733  1.04901  0.418701  
1 1 1 64 8  25 o 0.691123 0.303289  0.126626     0.803616 0.0490563    1.10799  0.212722     1.1673   0.761367 0.343497  0.800604 0.357176  
1 1 1 64 8  26 f 0.605428 0.281819  -0.333509    0.828544 0.0618448    1.14701  -0.764894    1.19814  0.751935 0.34275   0.664988 0.318336  
1 1 1 64 8  27 f 0.965611 0.358739  1.30993      0.923392 1.06542      1.32994  1.53751      1.28307  0.917703 0.396351  1.00406  0.40769   
1 1 1 64 8  28 o 0.691678 0.315368  0.195856     0.972488 0.732324     1.42098  -0.276786    1.33377  0.822026 0.377273  0.701262 0.335742  
1 1 1 64 8  29 o 0.802021 0.352051  0.882876     1.0834   2.02115      1.79414  0.229611     1.35918  0.943405 0.429661  0.737335 0.347983  
1 1 1 64 8  30 o 0.684074 0.318635  0.395875     1.06135  -0.173683    1.80069  0.699082     1.31383  0.697267 0.345344  0.734865 0.345441  
1 1 1 64 9  0  o 0.75959  0.390256  0.884509     0.747271 0.884509     0.747271 0.884509     0.747271 0.7804   0.333791  ?        ?         
1 1 1 64 9  1  o 2.06308  0.136686  4.29665      0.563988 4.24591      0.824044 4.34137      0.773549 2.03954  0.202017  2.06529  0.187273  
1 1 1 64 9  2  o 4.00188  0.0814159 16.0691      0.651633 16.278       0.912897 15.852       0.930451 4.02143  0.113504  3.96759  0.117256  
1 1 1 64 9  3  o 2.07637  0.135163  4.35179      0.561297 4.52319      0.795145 4.18155      0.792449 2.10755  0.188642  2.02501  0.195665  
1 1 1 64 9  4  o 3.96912  0.0884239 15.8187      0.701931 15.3246      1.02378  16.257       0.964252 3.89698  0.131355  4.01678  0.120028  
1 1 1 64 9  5  o 2.62319  0.114225  6.92968      0.599267 5.76656      0.902013 7.84871      0.801795 2.37826  0.189637  2.78594  0.1439    
1 1 1 64 9  6  o 3.90016  0.0879946 15.2773      0.686387 15.8555      0.997058 14.7565      0.946323 3.96427  0.125755  3.82497  0.123703  
1 1 1 64 9  7  o 1.80005  0.157651  3.28642      0.567559 3.75994      0.823876 2.85873      0.782984 1.91368  0.215259  1.66446  0.235206  
1 1 1 64 9  8  o 2.75314  0.111338  7.6347       0.613056 6.35288      0.880349 8.84158      0.854225 2.49787  0.176219  2.95546  0.144517  
1 1 1 64 9  9  o 4.94854  0.0835563 24.5906      0.826964 23.6579      1.19247  25.4547      1.14782  4.8419   0.123141  5.02558  0.114197  
1 1 1 64 9  10 o 4.14873  0.0891358 17.2966      0.739601 17.5586      1.0661   17.0535      1.02691  4.16904  0.127859  4.10957  0.124941  
1 1 1 64 9  11 o 0.550241 0.247707  -0.24464     0.573088 -1.04968     0.822039 0.516621     0.799373 0.550162 0.263443  0.839533 0.328412  
1 1 1 64 9  12 o 1.41923  0.210177  2.07542      0.596581 1.83245      0.840928 2.32161      0.846486 1.28327  0.326711  1.45559  0.300987  
1 1 1 64 9  13 o 1.6052   0.193327  2.64832      0.620658 2.88459      0.89202  2.42659      0.864129 1.65446  0.26958   1.48584  0.301292  
1 1 1 64 9  14 o 2.70777  0.12825   7.42314      0.694544 6.87058      0.999381 7.93934      0.965939 2.58491  0.193311  2.78621  0.173343  
1 1 1 64 9  15 o 4.00849  0.104833  16.2038      0.840447 17.0057      1.20294  15.4391      1.17471  4.08988  0.147063  3.89531  0.150784  
1 1 1 64 9  16 o 2.59432  0.133153  6.8324       0.690881 6.71966      0.988692 6.93998      0.965818 2.55179  0.193725  2.59644  0.185989  
1 1 1 64 9  17 f 2.24182  0.156642  5.13475      0.702327 5.12161      1.00613  5.14724      0.980832 2.21297  0.227326  2.22127  0.220782  
1 1 1 64 9  18 o 3.58707  0.119997  13.0563      0.860878 14.4096      1.26514  11.8893      1.17481  3.74214  0.169039  3.39695  0.172921  
1 1 1 64 9  19 o 2.24232  0.169184  5.19378      0.758729 4.127        1.10062  6.15983      1.04737  1.94355  0.283147  2.41727  0.216643  
1 1 1 64 9  20 o 2.40215  0.159363  5.95225      0.765628 7.08454      1.06635  4.74748      1.09995  2.59455  0.205499  2.09094  0.263028  
1 1 1 64 9  21 o 1.34542  0.28185   2.06137      0.734026 2.58306      0.982946 1.40369      1.10364  1.47248  0.340334  1.09396  0.393929  
1 1 1 64 9  22 o 0.663329 0.29915   -0.177899    0.839556 0.168141     1.07697  -0.713955    1.34043  0.800862 0.351277  0.751382 0.352314  
1 1 1 64 9  23 o 1.67929  0.256267  3.15588      0.860694 3.27809      1.13351  2.98949      1.32267  1.60942  0.361076  1.4675   0.42578   
1 1 1 64 9  24 o 0.566254 0.265874  -0.554536    0.772965 -1.2821      1.06231  0.264047     1.12681  0.591686 0.286898  0.809866 0.357121  
1 1 1 64 9  25 o 1.0633   0.340893  1.49581      0.819525 2.22839      1.10992  0.617684     1.21518  1.24163  0.396584  0.86224  0.375702  
1 1 1 64 9  26 o 0.740497 0.324341  0.341842     0.915476 0.42527      1.28969  0.257111     1.29972  0.821234 0.370545  0.800048 0.364727  
1 1 1 64 9  27 o 0.825507 0.343573  0.807153     0.93843  0.583014     1.37729  1.00138      1.2821   0.833866 0.378883  0.888083 0.386428  
1 1 1 64 9  28 o 0.584184 0.282733  -0.698409    1.01899  -0.0387554   1.59667  -1.15171     1.32358  0.74526  0.35934   0.616856 0.303826  
1 1 1 64 9  29 o 0.804398 0.358149  0.905067     1.16839  0.169051     1.91769  1.33959      1.47346  0.776111 0.378577  0.868257 0.393681  
1 1 1 64 10 0  f 3.97825  0.123036  15.9365      0.976819 15.9365      0.976819 15.9365      0.976819 3.98515  0.0867538 ?        ?         
1 1 1 64 10 1  o 3.00443  0.100539  9.07622      0.604128 8.6708       0.857921 9.47499      0.850855 2.92752  0.146527  3.06206  0.138935  
1 1 1 64 10 2  o 3.5343   0.0885283 12.5451      0.625772 13.3065      0.905282 11.8483      0.865975 3.63229  0.124616  3.4271   0.126342  
1 1 1 64 10 3  o 3.41671  0.0965441 11.7346      0.659726 11.1461      0.938218 12.3103      0.927856 3.32004  0.141296  3.49136  0.132879  
1 1 1 64 10 4  o 2.82937  0.109424  8.05986      0.619204 7.49849      0.959797 8.46008      0.81041  2.7142   0.17681   2.89245  0.14009   
1 1 1 64 10 5  o 1.60771  0.168415  2.62689      0.541523 2.39972      0.769298 2.85         0.762408 1.5213   0.252843  1.66317  0.229203  
1 1 1 64 10 6  o 3.46493  0.0926168 12.0658      0.641821 13.9808      0.927261 10.3045      0.889274 3.72225  0.124556  3.19202  0.139297  
1 1 1 64 10 7  o 3.05689  0.0991213 9.39904      0.606006 8.86076      0.868967 9.90871      0.845556 2.95781  0.146894  3.1309   0.135034  
1 1 1 64 10 8  o 0.649586 0.267049  0.171576     0.557401 0.487523     0.801776 -0.123962    0.77545  0.834061 0.328225  0.677053 0.297516  
1 1 1 64 10 9  o 4.93286  0.0877879 24.4507      0.86609  22.256       1.23614  26.5669      1.21384  4.69189  0.131732  5.1316   0.118271  
1 1 1 64 10 10 o 1.31943  0.219254  1.7957       0.578582 1.88525      0.81313  1.70387      0.823445 1.30659  0.314491  1.23969  0.327267  
1 1 1 64 10 11 f 3.21018  0.103386  10.3816      0.663774 10.9566      0.940419 9.81084      0.937028 3.28685  0.143058  3.10785  0.150752  
1 1 1 64 10 12 o 3.01333  0.111978  9.16487      0.674853 8.45079      0.956553 9.87252      0.952234 2.87772  0.1662    3.11521  0.152836  
1 1 1 64 10 13 o 1.69145  0.18517   2.93507      0.626413 3.13529      0.88552  2.73452      0.886242 1.72835  0.256174  1.58292  0.29081   
1 1 1 64 10 14 o 2.05112  0.159939  4.28967      0.65611  4.20224      0.939013 4.37306      0.917133 2.0082   0.233794  2.05219  0.223452  
1 1 1 64 10 15 o 1.17095  0.280187  1.51458      0.648365 0.733282     0.951599 2.19155      0.885789 0.929736 0.35942   1.39628  0.323309  
1 1 1 64 10 16 o 0.781285 0.298442  0.504166     0.650814 0.056995     0.9467   0.904865     0.896159 0.771364 0.333792  0.963126 0.354164  
1 1 1 64 10 17 o 2.95937  0.130994  8.90508      0.775319 8.2883       1.06816  9.59188      1.12715  2.83022  0.188705  3.04666  0.184982  
1 1 1 64 10 18 o 2.62409  0.137393  7.03094      0.721066 6.3376       1.04299  7.66573      0.99798  2.45617  0.212321  2.71783  0.183598  
1 1 1 64 10 19 o 1.69041  0.225155  3.03453      0.761208 2.8767       1.07144  3.1954       1.08166  1.5587   0.351992  1.6547   0.338526  
1 1 1 64 10 20 o 0.510446 0.2446    -0.851194    0.711843 -0.537951    0.955637 -1.24164     1.06693  0.658404 0.305005  0.615283 0.29595   
1 1 1 64 10 21 o 2.13348  0.195554  4.80855      0.83442  4.93184      1.07079  4.61793      1.33144  2.12385  0.252086  1.96139  0.352205  
1 1 1 64 10 22 o 0.603122 0.282478  -0.565021    0.852825 1.37865      1.10208  -3.46618     1.34644  1.05959  0.392262  0.541517 0.272768  
1 1 1 64 10 23 o 0.656333 0.291832  -0.0309608   0.773427 -0.437267    1.06678  0.419265     1.12296  0.690793 0.320869  0.839523 0.363416  
1 1 1 64 10 24 o 0.49269  0.240757  -1.18152     0.786947 -1.90434     1.1161   -0.466892    1.10975  0.553515 0.273597  0.689433 0.322782  
1 1 1 64 10 25 o 2.13963  0.216858  5.13042      0.927991 5.89666      1.33203  4.40779      1.29357  2.18266  0.305139  1.79377  0.372954  
1 1 1 64 10 26 f 0.536632 0.262341  -1.19354     0.936985 -1.14238     1.3582   -1.24        1.29431  0.661816 0.321997  0.637949 0.311153  
1 1 1 64 10 27 o 0.803007 0.338742  0.825721     0.932179 1.62971      1.37467  0.141289     1.26834  0.955494 0.407535  0.7366   0.344902  
1 1 1 64 10 28 o 1.12974  0.386565  2.27982      1.05139  2.68245      1.68141  2.02131      1.34727  1.03996  0.447362  0.989188 0.411679  
1 1 1 64 10 29 o 0.730962 0.33777   0.588436     1.16254  -0.312213    1.89699  1.13014      1.47118  0.712649 0.353325  0.80388  0.374711  
1 1 1 64 11 0  o 0.518103 0.345231  -0.152143    0.927175 -0.152143    0.927175 -0.152143    0.927175 0.429378 0.287157  ?        ?         
1 1 1 64 11 1  o 2.82339  0.110797  8.02794      0.625644 7.9543       0.868733 8.10729      0.901779 2.80092  0.15508   2.8266   0.159516  
1 1 1 64 11 2  o 2.64598  0.115492  7.05529      0.61118  7.41861      0.844909 6.6565       0.885173 2.70463  0.156197  2.55789  0.173028  
1 1 1 64 11 3  o 1.21002  0.247298  1.56687      0.577791 1.06509      0.820472 2.06054      0.813808 1.01769  0.341486  1.37413  0.304198  
1 1 1 64 11 4  o 2.78427  0.109213  7.80648      0.608158 7.673        0.882922 7.92698      0.838896 2.74925  0.160575  2.79705  0.149961  
1 1 1 64 11 5  o 5.15089  0.0771974 26.6258      0.795271 26.324       1.11202  26.9417      1.13779  5.11268  0.108751  5.17191  0.109997  
1 1 1 64 11 6  o 4.17722  0.0860836 17.5276      0.71918  16.4302      1.01679  18.6262      1.01736  4.03392  0.12603   4.29748  0.118367  
1 1 1 64 11 7  o 3.09008  0.101776  9.60995      0.628996 11.3655      0.907628 7.98773      0.872481 3.35209  0.135383  2.80508  0.155518  
1 1 1 64 11 8  f 2.19584  0.136635  4.87933      0.600055 4.86049      0.863597 4.89693      0.834369 2.17719  0.198328  2.18738  0.190724  
1 1 1 64 11 9  o 4.46488  0.0876213 20.0371      0.782437 19.647       1.12846  20.3982      1.08584  4.40847  0.127988  4.49461  0.120793  
1 1 1 64 11 10 o 2.51656  0.120801  6.39824      0.608008 5.65135      0.840754 7.21707      0.880317 2.35095  0.178812  2.66096  0.165413  
1 1 1 64 11 11 o 1.76582  0.170316  3.18555      0.601494 3.24581      0.862466 3.12849      0.83929  1.76286  0.244621  1.73138  0.242377  
1 1 1 64 11 12 o 2.96343  0.114167  8.86841      0.67665  9.50299      0.994217 8.32085      0.923543 3.05224  0.162867  2.85651  0.161656  
1 1 1 64 11 13 o 2.15358  0.14954   4.71743      0.644091 4.71353      0.925662 4.7211       0.89679  2.13285  0.217001  2.13698  0.209826  
1 1 1 64 11 14 o 2.13291  0.153237  4.63748      0.653682 4.96762      0.965278 4.35784      0.888393 2.18532  0.220855  2.04822  0.216869  
1 1 1 64 11 15 o 1.72153  0.187106  3.05487      0.644217 3.57141      0.938401 2.59443      0.885979 1.83791  0.25529   1.52996  0.300245  
1 1 1 64 11 16 o 1.04672  0.304007  1.22407      0.673957 1.39683      0.999588 1.08007      0.912582 1.11795  0.376922  1.01343  0.358878  
1 1 1 64 11 17 o 0.956346 0.312259  1.00501      0.686037 0.2873       0.949318 1.78954      0.992528 0.810278 0.341828  1.23077  0.371912  
1 1 1 64 11 18 o 1.0916   0.310191  1.37158      0.70918  1.0527       0.972339 1.73401      1.03661  0.997956 0.368649  1.20218  0.383189  
1 1 1 64 11 19 o 2.0386   0.178951  4.32384      0.729618 5.04148      0.98248  3.44141      1.08947  2.17621  0.225732  1.7224   0.328064  
1 1 1 64 11 20 o 0.585228 0.273431  -0.555503    0.789185 -0.0252689   1.02733  -1.31888     1.23267  0.759945 0.337286  0.662588 0.318558  
1 1 1 64 11 21 o 3.04146  0.155048  9.60455      0.943143 10.4338      1.25209  8.51693      1.43394  3.13142  0.199923  2.77367  0.258491  
1 1 1 64 11 22 o 1.67404  0.246496  3.11426      0.82529  3.50849      1.09232  2.58989      1.25978  1.69182  0.334732  1.36639  0.420243  
1 1 1 64 11 23 o 0.881481 0.332671  0.867346     0.800615 1.5386       1.11859  0.162301     1.1464   1.0811   0.395865  0.796493 0.354691  
1 1 1 64 11 24 f 1.33803  0.321199  2.29175      0.849938 2.13679      1.21414  2.44067      1.19021  1.19246  0.414755  1.28202  0.410797  
1 1 1 64 11 25 o 0.778426 0.336325  0.495999     0.958298 -0.0251788   1.37095  0.993957     1.34006  0.77684  0.361957  0.913967 0.396336  
1 1 1 64 11 26 o 1.20205  0.361096  2.12292      0.937491 2.48648      1.35551  1.78957      1.29798  1.1848   0.435586  1.03809  0.414726  
1 1 1 64 11 27 o 0.922905 0.354819  1.37541      0.924724 1.89076      1.38344  0.9592       1.24328  0.977487 0.412522  0.829515 0.369386  
1 1 1 64 11 28 o 0.663931 0.310366  0.0332648    1.01849  0.860411     1.6313   -0.495128    1.30383  0.82092  0.38561   0.659736 0.319388  
1 1 1 64 11 29 o 0.651925 0.312912  0.105666     1.17713  0.0985554    1.90544  0.110055     1.49694  0.702059 0.348999  0.677998 0.331482  
1 1 1 64 12 0  f 5.32876  0.119745  28.56        1.27473  28.56        1.27473  28.56        1.27473  5.33645  0.0845016 ?        ?         
1 1 1 64 12 1  o 2.82604  0.108243  8.04248      0.6118   7.88569      0.822718 8.23643      0.915062 2.79001  0.14744   2.84795  0.160653  
1 1 1 64 12 2  o 4.71603  0.0797146 22.3259      0.751873 21.1939      1.03262  23.6033      1.0969   4.58617  0.11258   4.8396   0.113326  
1 1 1 64 12 3  o 2.312    0.127753  5.39824      0.590728 6.49146      0.870033 4.46321      0.804626 2.52509  0.172278  2.08914  0.192573  
1 1 1 64 12 4  o 1.20976  0.226824  1.55452      0.528541 1.22534      0.723004 1.93236      0.774602 1.06405  0.3166    1.32981  0.298585  
1 1 1 64 12 5  o 4.69992  0.0791568 22.1755      0.744062 22.3067      1.07706  22.0557      1.0291   4.70361  0.114493  4.67856  0.109981  
1 1 1 64 12 6  o 3.94598  0.087872  15.6475      0.693483 16.4183      0.996621 14.9241      0.965582 4.03217  0.123584  3.8437   0.125606  
1 1 1 64 12 7  o 0.800071 0.282414  0.606389     0.564724 0.24245      0.810312 0.95009      0.78746  0.771801 0.320117  0.969874 0.334337  
1 1 1 64 12 8  o 0.63832  0.266722  0.120556     0.569042 -0.329472    0.817436 0.543687     0.792632 0.653795 0.294998  0.843619 0.327635  
1 1 1 64 12 9  o 1.16441  0.260263  1.47342      0.590724 0.805998     0.822282 2.18523      0.849188 0.927619 0.339432  1.40576  0.310351  
1 1 1 64 12 10 o 2.22948  0.137961  5.04135      0.615164 4.84805      0.863031 5.241        0.877087 2.17005  0.198851  2.25776  0.194238  
1 1 1 64 12 11 o 2.41374  0.132487  5.90358      0.639579 5.17301      0.895019 6.66596      0.914291 2.24079  0.19971   2.55098  0.179204  
1 1 1 64 12 12 o 1.68354  0.186996  2.91038      0.629627 2.14523      0.906104 3.62477      0.875537 1.38198  0.331574  1.86479  0.234755  
1 1 1 64 12 13 o 0.808263 0.298118  0.591528     0.635379 0.451854     0.9131   0.722648     0.884698 0.849161 0.344265  0.911772 0.348054  
1 1 1 64 12 14 o 2.81125  0.123891  8.00969      0.696581 7.03571      1.01113  8.88951      0.961012 2.60987  0.193712  2.94735  0.16303   
1 1 1 64 12 15 o 1.40061  0.23117   2.05938      0.647561 2.17485      0.969724 1.96644      0.869957 1.37235  0.351702  1.31242  0.331214  
1 1 1 64 12 16 o 1.27612  0.288203  1.83058      0.718236 1.69922      0.983682 1.98057      1.05115  1.20372  0.371577  1.29093  0.38119   
1 1 1 64 12 17 o 0.702819 0.294094  0.213375     0.693355 0.359436     0.960675 0.054569     1.00172  0.8248   0.345712  0.776686 0.33974   
1 1 1 64 12 18 o 2.05357  0.183427  4.3938       0.753359 4.11131      1.03058  4.71799      1.10403  1.94435  0.265019  2.08287  0.265026  
1 1 1 64 12 19 o 2.53111  0.156089  6.61644      0.790157 5.63889      1.01594  8.11315      1.25709  2.30005  0.220851  2.75306  0.228307  
1 1 1 64 12 20 o 1.29228  0.322234  2.00051      0.830917 2.68731      1.06239  0.918508     1.33346  1.47277  0.362616  0.993695 0.411308  
1 1 1 64 12 21 o 1.55015  0.27911   2.78299      0.833774 2.0914       1.15998  3.52222      1.19927  1.24774  0.406038  1.66651  0.36958   
1 1 1 64 12 22 o 0.833094 0.332477  0.669269     0.833394 1.44289      1.14848  -0.191188    1.21122  1.06142  0.398934  0.76414  0.349704  
1 1 1 64 12 23 o 1.27785  0.330767  2.0922       0.851703 1.65945      1.26018  2.4561       1.15558  1.08554  0.415105  1.31298  0.402218  
1 1 1 64 12 24 o 0.723487 0.316021  0.289222     0.864189 0.929027     1.29227  -0.228378    1.16233  0.908357 0.391486  0.715247 0.333268  
1 1 1 64 12 25 o 0.67418  0.309411  -0.0840364   0.955694 0.555198     1.37276  -0.685238    1.3313   0.844338 0.38156   0.695359 0.33352   
1 1 1 64 12 26 o 1.18622  0.363795  2.21065      0.94499  3.708        1.39046  0.9254       1.28822  1.41769  0.442614  0.84292  0.375661  
1 1 1 64 12 27 o 0.77052  0.334811  0.759386     0.959971 -0.0437133   1.4462   1.39197      1.28352  0.718868 0.345478  0.884283 0.385706  
1 1 1 64 12 28 o 0.803015 0.352482  1.03638      1.08602  2.07968      1.72854  0.355947     1.39595  0.908325 0.416554  0.72801  0.347329  
1 1 1 64 13 0  o 2.42201  0.228995  6.11438      1.08647  6.11438      1.08647  6.11438      1.08647  2.448    0.158437  ?        ?         
1 1 1 64 13 1  o 5.75354  0.0806776 33.2385      0.928364 33.3709      1.2849   33.0939      1.34283  5.75405  0.111651  5.72782  0.11722   
1 1 1 64 13 2  o 1.27422  0.256768  1.74524      0.631398 1.78561      0.866638 1.69956      0.921773 1.26822  0.336173  1.23656  0.354367  
1 1 1 64 13 3  f 0.95174  0.283181  0.969106     0.578429 1.48014      0.808884 0.434309     0.827478 1.15917  0.331883  0.826859 0.330809  
1 1 1 64 13 4  o 2.39397  0.115279  5.78053      0.55195  5.25305      0.765034 6.35316      0.797103 2.27101  0.168435  2.49988  0.159428  
1 1 1 64 13 5  o 1.9618   0.138878  3.89788      0.544903 3.74249      0.752953 4.06876      0.789568 1.91004  0.197104  1.99126  0.198258  
1 1 1 64 13 6  o 2.71572  0.110262  7.43639      0.598879 7.78706      0.826746 7.04924      0.868697 2.76953  0.149258  2.63065  0.165111  
1 1 1 64 13 7  o 5.73158  0.0840806 33.0164      0.963829 32.8838      1.39719  33.1368      1.33131  5.70412  0.122472  5.72904  0.11619   
1 1 1 64 13 8  o 3.28543  0.0995541 10.8737      0.654157 11.3884      0.894878 10.283       0.958645 3.35261  0.13346   3.18004  0.150728  
1 1 1 64 13 9  o 2.90392  0.113954  8.51504      0.661828 8.54501      0.95396  8.48723      0.918952 2.89381  0.164827  2.88595  0.159212  
1 1 1 64 13 10 o 2.12997  0.145426  4.60971      0.619507 4.23336      0.86161  5.01252      0.891379 2.02289  0.212965  2.20484  0.202141  
1 1 1 64 13 11 o 3.60345  0.100823  13.0864      0.726617 13.188       1.03601  12.9881      1.01937  3.60294  0.143773  3.57601  0.142529  
1 1 1 64 13 12 f 1.64594  0.189518  2.79015      0.623871 2.64222      0.911695 2.92043      0.855552 1.54462  0.306001  1.66383  0.257103  
1 1 1 64 13 13 o 3.53781  0.109707  12.6484      0.776244 12.4811      1.0636   12.8391      1.13546  3.49754  0.15205   3.54348  0.160219  
1 1 1 64 13 14 o 0.944195 0.297111  0.969881     0.6249   1.41483      0.916304 0.582998     0.854422 1.12089  0.360571  0.860875 0.338812  
1 1 1 64 13 15 o 3.30643  0.123994  11.1082      0.819955 10.1009      1.10381  12.3485      1.22479  3.12788  0.176447  3.45802  0.177094  
1 1 1 64 13 16 o 0.860937 0.312082  0.742607     0.693686 0.25439      0.933176 1.34558      1.03707  0.794617 0.337244  1.08896  0.382881  
1 1 1 64 13 17 o 1.36735  0.284053  2.11444      0.750923 2.1595       0.987573 2.05269      1.15618  1.34081  0.36044   1.28835  0.403881  
1 1 1 64 13 18 o 0.867276 0.322738  0.751169     0.747975 1.88149      0.981772 -0.812526    1.15475  1.24304  0.368743  0.69311  0.325352  
1 1 1 64 13 19 o 1.56044  0.259947  2.67806      0.811266 3.42054      1.03616  1.50188      1.30412  1.71221  0.31432   1.11856  0.423864  
1 1 1 64 13 20 o 0.991994 0.33359   1.17138      0.782966 1.17163      1.09148  1.17111      1.12378  1.00737  0.386     1.00994  0.390553  
1 1 1 64 13 21 o 1.25749  0.329535  1.96697      0.838776 1.32682      1.17291  2.63699      1.19997  1.03637  0.399366  1.39152  0.406135  
1 1 1 64 13 22 o 1.24779  0.341829  1.99402      0.877923 1.98291      1.23577  2.00534      1.24745  1.18358  0.417771  1.18824  0.419708  
1 1 1 64 13 23 o 1.29286  0.338723  2.21206      0.886335 3.20252      1.29298  1.33406      1.21736  1.4623   0.419908  0.993393 0.399658  
1 1 1 64 13 24 o 1.71027  0.27618   3.53676      0.944686 2.22206      1.41533  4.59307      1.26865  1.14419  0.439224  1.83889  0.357715  
1 1 1 64 13 25 o 2.83877  0.185765  8.92159      1.05469  10.4152      1.56138  7.66821      1.43033  2.92227  0.267153  2.46867  0.289696  
1 1 1 64 13 26 o 0.988194 0.364993  1.63163      0.953086 2.41405      1.35611  0.867948     1.33977  1.08283  0.426629  0.819832 0.372821  
1 1 1 64 13 27 o 0.474536 0.238782  -2.10625     1.01942  -2.28152     1.54098  -1.96986     1.35938  0.588504 0.296114  0.568762 0.284381  
1 1 1 64 13 28 f 0.695944 0.327649  0.510671     1.19086  0.408658     1.8686   0.580441     1.54534  0.717461 0.354483  0.716219 0.346903  
1 1 1 64 14 0  o 5.08508  0.141641  26.0907      1.43798  26.0907      1.43798  26.0907      1.43798  5.0965   0.0998416 ?        ?         
1 1 1 64 14 1  o 4.53147  0.0871591 20.6386      0.789918 21.5371      1.07591  19.588       1.16344  4.61986  0.116444  4.40013  0.132205  
1 1 1 64 14 2  o 1.92964  0.160351  3.78812      0.61884  3.0774       0.893882 4.4423       0.857589 1.71537  0.26055   2.07801  0.206348  
1 1 1 64 14 3  o 2.7588   0.110748  7.67497      0.611064 7.59523      0.840678 7.7643       0.889761 2.73388  0.153751  2.762    0.161072  
1 1 1 64 14 4  o 2.39795  0.121381  5.80954      0.58213  6.19749      0.786657 5.33994      0.865489 2.46763  0.159395  2.28229  0.18961   
1 1 1 64 14 5  o 2.27486  0.127561  5.23574      0.580365 5.39413      0.771029 5.02868      0.881549 2.29939  0.16766   2.21108  0.199348  
1 1 1 64 14 6  o 4.59648  0.0860291 21.244       0.790862 21.1631      1.09308  21.3329      1.14566  4.57621  0.119431  4.59234  0.124736  
1 1 1 64 14 7  o 4.29745  0.0920576 18.5854      0.791225 16.5433      1.19376  20.1855      1.05666  4.03442  0.147947  4.4695   0.118208  
1 1 1 64 14 8  o 1.22136  0.237084  1.6017       0.55846  1.89719      0.745884 1.22472      0.84247  1.31252  0.291792  1.06399  0.346034  
1 1 1 64 14 9  o 2.01165  0.14601   4.11268      0.587442 4.72523      0.796085 3.3804       0.870419 2.14569  0.185508  1.79874  0.241953  
1 1 1 64 14 10 o 2.07097  0.139026  4.3537       0.575838 4.04508      0.761916 4.7648       0.879369 1.98281  0.19213   2.14792  0.204702  
1 1 1 64 14 11 o 2.79606  0.1202    7.91398      0.672174 7.39234      0.960795 8.41405      0.940717 2.68267  0.179074  2.86819  0.163991  
1 1 1 64 14 12 o 2.89076  0.114989  8.45368      0.664809 7.87946      0.96177  8.97909      0.919985 2.77057  0.173569  2.96529  0.155125  
1 1 1 64 14 13 o 1.11041  0.300471  1.38256      0.683502 0.387877     0.892626 2.7924       1.0627   0.8229   0.338061  1.55958  0.349423  
1 1 1 64 14 14 f 2.88922  0.13723   8.51137      0.792975 7.9779       1.00496  9.3915       1.29082  2.77775  0.180895  2.99321  0.215625  
1 1 1 64 14 15 o 0.971235 0.323186  1.04357      0.73489  1.60233      0.912214 0.0103729    1.24044  1.16734  0.357313  0.842388 0.372658  
1 1 1 64 14 16 o 2.04278  0.183218  4.34481      0.748549 4.80047      0.961447 3.6435       1.19278  2.12552  0.226168  1.76029  0.351241  
1 1 1 64 14 17 o 0.829563 0.320841  0.618345     0.75846  0.8868       0.99946  0.253826     1.16464  0.950508 0.368162  0.853231 0.369734  
1 1 1 64 14 18 o 2.87535  0.139332  8.49732      0.80126  8.00383      1.08044  9.10041      1.19441  2.7544   0.19613   2.93099  0.203756  
1 1 1 64 14 19 o 0.998993 0.340282  1.18048      0.814694 0.758738     1.2122   1.52791      1.10022  0.937021 0.390268  1.10608  0.393811  
1 1 1 64 14 20 o 1.81159  0.237507  3.62001      0.860528 4.44706      1.27369  2.92547      1.16721  1.8948   0.3492    1.49004  0.387928  
1 1 1 64 14 21 o 0.650838 0.29485   -0.152261    0.824794 0.566449     1.18321  -0.831609    1.15035  0.873833 0.375566  0.666597 0.317074  
1 1 1 64 14 22 o 1.18998  0.356552  1.90722      0.914832 0.723407     1.3141   3.02051      1.27436  0.897314 0.390842  1.43386  0.418548  
1 1 1 64 14 23 o 0.645156 0.294091  -0.0992271   0.84466  0.279942     1.23551  -0.431955    1.15737  0.795233 0.360536  0.686699 0.323213  
1 1 1 64 14 24 o 0.953046 0.359501  1.27422      0.934581 1.67674      1.38819  0.940529     1.26393  1.02483  0.421396  0.890199 0.385455  
1 1 1 64 14 25 o 1.0393   0.371275  1.78247      0.97863  3.42921      1.41689  0.280241     1.35329  1.32592  0.448754  0.761674 0.356576  
1 1 1 64 14 26 o 0.558964 0.271514  -0.756669    0.958884 -1.45635     1.34031  -0.0230899   1.37239  0.594368 0.295084  0.712296 0.340915  
1 1 1 64 14 27 o 0.628281 0.300739  -0.208213    1.06879  -1.07977     1.53205  0.618097     1.49175  0.634768 0.315188  0.758919 0.361027  
1 1 1 64 15 0  o 1.11815  0.414115  1.74313      0.856215 1.74313      0.856215 1.74313      0.856215 1.2192   0.286024  ?        ?         
1 1 1 64 15 1  o 3.00793  0.112601  9.1317       0.677391 9.3698       0.967197 8.90246      0.949013 3.033    0.159446  2.95603  0.160522  
1 1 1 64 15 2  o 0.593548 0.258969  -0.0632292   0.578962 0.765257     0.872166 -0.715924    0.774126 0.925981 0.347723  0.569465 0.267146  
1 1 1 64 15 3  o 2.96771  0.103242  8.87721      0.612784 8.16341      0.853086 9.63812      0.880792 2.83344  0.150539  3.08126  0.142927  
1 1 1 64 15 4  o 2.03937  0.13892   4.21909      0.56662  4.26831      0.792899 4.16772      0.81002  2.03741  0.194585  2.0113   0.201368  
1 1 1 64 15 5  o 4.58895  0.0897879 21.1861      0.824064 19.9118      1.22532  22.2384      1.11349  4.43055  0.138281  4.69101  0.118684  
1 1 1 64 15 6  o 2.90608  0.112705  8.52649      0.655059 9.08128      0.90031  7.9024       0.954883 2.98793  0.150658  2.78023  0.171727  
1 1 1 64 15 7  o 1.72314  0.170914  3.03537      0.589017 3.3198       0.768083 2.6293       0.917749 1.79086  0.214446  1.544    0.308107  
1 1 1 64 15 8  o 2.53277  0.120159  6.48622      0.608671 5.86036      0.778031 7.47352      0.977196 2.39661  0.162319  2.69992  0.180968  
1 1 1 64 15 9  o 4.14744  0.0904872 17.3156      0.750581 17.3584      1.01542  17.2641      1.11444  4.14117  0.122601  4.12459  0.135096  
1 1 1 64 15 10 o 2.2596   0.127475  5.17829      0.576085 5.51452      0.755814 4.71214      0.88993  2.32169  0.162772  2.13069  0.208836  
1 1 1 64 15 11 o 1.71368  0.197559  3.03777      0.677106 3.32758      0.82566  2.44258      1.18323  1.78243  0.231611  1.43913  0.397987  
1 1 1 64 15 12 o 0.543202 0.258295  -0.835628    0.762832 -1.80357     1.04032  0.290069     1.1219   0.56168  0.275015  0.869404 0.369409  
1 1 1 64 15 13 o 1.01845  0.338198  1.14911      0.804748 1.144        1.08303  1.15542      1.20249  1.04784  0.388668  1.06662  0.406184  
1 1 1 64 15 14 o 2.86192  0.156025  8.41882      0.893061 10.2967      1.25774  6.50937      1.26828  3.13728  0.200451  2.45918  0.257866  
1 1 1 64 15 15 o 1.6011   0.218356  2.71309      0.699222 2.07835      0.871531 3.85969      1.17136  1.33248  0.328653  1.8263   0.333035  
1 1 1 64 15 16 o 0.571318 0.26208   -0.368612    0.684781 -0.0945677   0.923785 -0.70287     1.02024  0.718157 0.31915   0.660446 0.309261  
1 1 1 64 15 17 o 2.96175  0.130463  8.98094      0.7728   8.61221      1.05143  9.4142       1.13971  2.86792  0.183308  2.9932   0.190384  
1 1 1 64 15 18 o 0.64106  0.289068  -0.180255    0.783657 -1.38375     1.11809  0.981806     1.09868  0.611582 0.296023  0.970657 0.383508  
1 1 1 64 15 19 o 2.40795  0.180635  6.13546      0.869918 7.49622      1.32373  5.10104      1.15414  2.59088  0.25546   2.12259  0.271869  
1 1 1 64 15 20 o 2.06709  0.209845  4.63094      0.867537 3.83213      1.23545  5.40798      1.21849  1.72998  0.368077  2.16913  0.280871  
1 1 1 64 15 21 f 0.613454 0.28289   -0.309399    0.810051 0.49694      1.15353  -1.09389     1.1378   0.843082 0.366689  0.628199 0.303006  
1 1 1 64 15 22 o 2.31686  0.207816  5.95553      0.962959 5.06422      1.34089  6.90477      1.38378  1.95136  0.356848  2.3867   0.289895  
1 1 1 64 15 23 o 0.968204 0.350503  1.29566      0.874747 1.15184      1.27709  1.42276      1.20061  0.934589 0.395477  0.987565 0.39707   
1 1 1 64 15 24 f 0.805998 0.34292   0.753715     0.969043 1.12887      1.38979  0.398761     1.35186  0.898982 0.396489  0.795269 0.366245  
1 1 1 64 15 25 o 1.34679  0.363824  2.85893      1.00315  3.09684      1.42296  2.62387      1.41442  1.20616  0.445884  1.10527  0.435631  
1 1 1 64 15 26 o 0.677304 0.316415  0.0939803    1.05644  -1.33506     1.53834  1.36947      1.45334  0.638188 0.316742  0.875255 0.394221  
1 1 1 64 15 27 o 0.604416 0.291521  -0.191526    1.05288  -0.580302    1.4744   0.213034     1.50404  0.629225 0.31185   0.685915 0.334704  
1 1 1 64 16 0  o 0.689173 0.393285  0.689985     0.837774 0.689985     0.837774 0.689985     0.837774 0.668939 0.346627  ?        ?         
1 1 1 64 16 1  o 3.64667  0.0987448 13.396       0.720178 13.6436      1.04757  13.174       0.991697 3.66561  0.142892  3.60397  0.137584  
1 1 1 64 16 2  o 2.4833   0.120521  6.23445      0.598581 6.467        0.842062 5.99691      0.851053 2.51654  0.167306  2.42074  0.175783  
1 1 1 64 16 3  f 2.63724  0.115839  7.02575      0.610992 8.33438      0.893666 5.87715      0.83724  2.86057  0.156204  2.3967   0.174665  
1 1 1 64 16 4  o 4.97883  0.0802348 24.9102      0.798951 25.9586      1.14392  23.9117      1.11636  5.07044  0.112803  4.86562  0.114719  
1 1 1 64 16 5  o 2.69519  0.111644  7.33334      0.601806 8.37977      0.865111 6.35215      0.837715 2.86992  0.150721  2.49354  0.167977  
1 1 1 64 16 6  o 1.97576  0.145076  3.96688      0.57327  4.09168      0.810381 3.84187      0.811072 1.99125  0.203486  1.92745  0.210401  
1 1 1 64 16 7  f 0.895081 0.278017  0.856479     0.549538 1.18192      0.739769 0.455765     0.820871 1.03879  0.32255   0.823317 0.329447  
1 1 1 64 16 8  o 2.03467  0.145066  4.21421      0.590321 4.8656       0.760408 3.22616      0.936516 2.17776  0.174585  1.74346  0.268579  
1 1 1 64 16 9  o 1.74452  0.204135  3.15463      0.712235 3.78672      0.912258 2.16781      1.13984  1.89852  0.240255  1.35981  0.39549   
1 1 1 64 16 10 o 1.64092  0.247958  2.83915      0.813758 2.73943      1.14998  2.93917      1.15168  1.53331  0.377113  1.59448  0.368293  
1 1 1 64 16 11 f 0.856383 0.330638  0.622884     0.804753 2.10249      1.12321  -0.937808    1.15358  1.3322   0.394251  0.691715 0.324786  
1 1 1 64 16 12 o 2.03419  0.210814  4.33344      0.857668 5.51929      1.2661   3.32782      1.16593  2.25698  0.280487  1.69024  0.356067  
1 1 1 64 16 13 o 0.584401 0.27298   -0.590383    0.786001 -2.64767     1.1337   1.31377      1.09069  0.529849 0.264193  1.08527  0.39153   
1 1 1 64 16 14 o 1.37506  0.285501  2.13861      0.758948 3.48194      1.13482  1.05159      1.02083  1.72781  0.340527  1.0024   0.376238  
1 1 1 64 16 15 o 2.15523  0.18848   4.85526      0.812432 4.95443      1.23089  4.7787       1.08146  2.11426  0.291093  2.09877  0.257642  
1 1 1 64 16 16 o 2.43057  0.17076   6.14569      0.83009  6.41179      1.22956  5.92284      1.12521  2.42659  0.253351  2.34189  0.240236  
1 1 1 64 16 17 o 1.15865  0.322251  1.61175      0.77347  1.58108      1.15944  1.63634      1.03827  1.12729  0.403978  1.14425  0.384146  
1 1 1 64 16 18 o 0.93502  0.338548  1.002        0.816125 0.457081     1.20509  1.46367      1.10922  0.871143 0.376778  1.079    0.394289  
1 1 1 64 16 19 o 0.689892 0.304617  0.0495341    0.823515 -0.0647343   1.25108  0.136898     1.09393  0.792706 0.360428  0.784105 0.348023  
1 1 1 64 16 20 o 0.50744  0.246361  -1.06123     0.787692 -0.998084    1.12566  -1.12183     1.10263  0.638119 0.306215  0.617811 0.298067  
1 1 1 64 16 21 f 2.11113  0.215599  4.95811      0.910316 3.80299      1.31368  6.02514      1.2626   1.62954  0.404467  2.25016  0.280557  
1 1 1 64 16 22 o 0.808059 0.337274  0.67296      0.908346 1.2765       1.29536  0.089073     1.2741   0.961749 0.402181  0.773431 0.355922  
1 1 1 64 16 23 o 1.03     0.36335   1.5566       0.934663 1.12442      1.35195  1.95227      1.2936   0.921627 0.398852  1.08349  0.419018  
1 1 1 64 16 24 o 0.681718 0.311333  0.171529     0.954402 -1.19269     1.37934  1.42457      1.32194  0.630754 0.310679  0.913041 0.394758  
1 1 1 64 16 25 o 2.19483  0.250664  6.02756      1.10033  7.56758      1.54994  4.46282      1.56234  2.27421  0.340765  1.45062  0.471226  
1 1 1 64 16 26 o 0.660176 0.309699  0.157761     1.04037  -0.213333    1.53561  0.472615     1.41447  0.685061 0.335122  0.731466 0.349132  
1 1 1 64 17 0  o 3.5987   0.147903  13.124       1.06043  13.124       1.06043  13.124       1.06043  3.61076  0.104029  ?        ?         
1 1 1 64 17 1  o 4.62326  0.0911191 21.5108      0.842534 19.7768      1.22568  23.0641      1.16008  4.41452  0.138823  4.77551  0.121461  
1 1 1 64 17 2  o 4.38895  0.0865891 19.3739      0.76007  20.3121      1.06339  18.394       1.0868   4.48268  0.118611  4.26223  0.127491  
1 1 1 64 17 3  o 2.56532  0.116365  6.64965      0.597027 6.57055      0.828269 6.7352       0.86135  2.53732  0.163217  2.56746  0.167744  
1 1 1 64 17 4  o 3.90569  0.0888651 15.35        0.69416  14.7496      0.984272 15.9441      0.979128 3.81543  0.128986  3.96912  0.123343  
1 1 1 64 17 5  o 0.528614 0.239913  -0.268957    0.548785 0.0227531    0.768643 -0.572266    0.783776 0.698447 0.301483  0.594277 0.275651  
1 1 1 64 17 6  o 2.18409  0.129339  4.83884      0.564977 4.08882      0.772502 5.70138      0.828422 1.99022  0.194074  2.35677  0.175754  
1 1 1 64 17 7  o 1.26117  0.208962  1.65143      0.527071 1.54091      0.687056 1.80948      0.821655 1.17579  0.292911  1.26487  0.323492  
1 1 1 64 17 8  o 1.5886   0.228433  2.63989      0.72578  0.181574     1.05686  4.83392      0.99844  0.832325 0.356241  2.1479   0.232422  
1 1 1 64 17 9  o 3.95321  0.112893  15.8127      0.89258  14.8994      1.30086  16.6252      1.22698  3.80878  0.170771  4.03434  0.152066  
1 1 1 64 17 10 o 1.9657   0.191015  4.00677      0.750956 4.22886      1.07502  3.79512      1.04946  1.98453  0.270851  1.8757   0.279752  
1 1 1 64 17 11 o 2.28105  0.172886  5.37256      0.788724 4.21648      1.13729  6.44382      1.09477  1.96568  0.289287  2.47328  0.22132   
1 1 1 64 17 12 o 0.806257 0.317961  0.522367     0.753914 1.83903      1.08787  -0.694334    1.04576  1.23463  0.392451  0.675301 0.31522   
1 1 1 64 17 13 f 0.894928 0.329073  0.812219     0.773672 -0.141774    1.0948   1.76392      1.09348  0.770111 0.344675  1.20705  0.394228  
1 1 1 64 17 14 o 1.0583   0.326547  1.3005       0.759821 0.455386     1.13056  1.99669      1.02612  0.883089 0.372812  1.27887  0.376305  
1 1 1 64 17 15 o 1.54387  0.255079  2.597        0.78762  3.46698      1.18431  1.90708      1.05466  1.69444  0.360277  1.23872  0.385228  
1 1 1 64 17 16 o 0.49084  0.239479  -1.21438     0.768949 -0.447776    1.14575  -1.84265     1.03724  0.728094 0.336016  0.544143 0.267998  
1 1 1 64 17 17 o 1.19355  0.330351  1.74858      0.814814 1.24657      1.19855  2.17998      1.11106  1.0315   0.402415  1.28617  0.394472  
1 1 1 64 17 18 f 0.970681 0.340142  1.13772      0.817878 0.778771     1.21498  1.43517      1.106    0.924296 0.388162  1.06237  0.393025  
1 1 1 64 17 19 o 0.89125  0.334909  0.897654     0.809343 -0.138869    1.17597  1.83044      1.11558  0.758944 0.346242  1.16     0.39813   
1 1 1 64 17 20 o 0.854674 0.334634  0.825046     0.830334 1.93169      1.2361   -0.0848878   1.12087  1.14174  0.416327  0.735991 0.33665   
1 1 1 64 17 21 o 2.30641  0.20814   5.93311      0.960113 5.33499      1.31977  6.60553      1.39934  2.0453   0.322634  2.3045   0.303609  
1 1 1 64 17 22 o 0.826878 0.346633  0.750095     0.96604  1.06635      1.35102  0.419226     1.38188  0.91842  0.398105  0.826986 0.376758  
1 1 1 64 17 23 o 1.08618  0.370154  1.90982      0.964012 0.833365     1.37573  2.94829      1.35124  0.836978 0.379863  1.24215  0.437013  
1 1 1 64 17 24 o 0.970733 0.369536  1.64049      0.995    2.38398      1.41821  0.919753     1.39633  1.04567  0.427267  0.818717 0.375014  
1 1 1 64 17 25 o 1.17717  0.383001  2.44241      1.03209  1.97031      1.43663  2.94596      1.4837   0.955862 0.412376  1.12174  0.444888  
1 1 1 64 18 0  o 4.29336  0.134804  18.6275      1.15494  18.6275      1.15494  18.6275      1.15494  4.30472  0.0949611 ?        ?         
1 1 1 64 18 1  f 3.91115  0.0993961 15.4246      0.777506 15.1272      1.23375  15.6205      1.00138  3.84797  0.160312  3.92549  0.127548  
1 1 1 64 18 2  f 2.49705  0.123019  6.31586      0.614368 6.78036      0.835738 5.76969      0.906231 2.5752   0.162267  2.36534  0.191565  
1 1 1 64 18 3  o 1.3808   0.198484  1.97212      0.548131 1.70298      0.751237 2.27853      0.801557 1.2327   0.305797  1.43689  0.289081  
1 1 1 64 18 4  o 2.64044  0.111244  7.04748      0.587466 7.67746      0.825535 6.40115      0.836173 2.74383  0.150435  2.49969  0.167255  
1 1 1 64 18 5  o 3.07343  0.103314  9.53465      0.635057 10.3563      0.911769 8.76051      0.88504  3.1896   0.142928  2.93059  0.151     
1 1 1 64 18 6  o 0.94311  0.268196  0.973429     0.529962 0.815128     0.726212 1.15378      0.775135 0.902667 0.320093  1.02675  0.33177   
1 1 1 64 18 7  o 1.49006  0.244535  2.34267      0.728743 1.49513      1.05308  3.12149      1.00949  1.15251  0.386877  1.67169  0.313509  
1 1 1 64 18 8  o 0.952865 0.323711  0.969002     0.737282 0.667008     1.0924   1.22165      0.99917  0.937724 0.37804   1.06323  0.375618  
1 1 1 64 18 9  o 1.10891  0.32244   1.40362      0.757737 2.14321      1.1326   0.804366     1.0195   1.33594  0.396006  0.949433 0.37099   
1 1 1 64 18 10 o 1.93485  0.196374  3.90625      0.759909 4.09747      1.11836  3.74224      1.03574  1.93477  0.289016  1.85432  0.279277  
1 1 1 64 18 11 o 1.01322  0.328163  1.16285      0.758055 0.805001     1.08306  1.50651      1.06137  0.953635 0.37951   1.13474  0.388396  
1 1 1 64 18 12 o 2.57061  0.15481   6.80375      0.795913 7.37668      1.14713  6.27191      1.10522  2.6402   0.217243  2.42796  0.227603  
1 1 1 64 18 13 o 0.756723 0.311196  0.351901     0.757172 0.53151      1.1217   0.201554     1.02626  0.895508 0.374351  0.805708 0.348079  
1 1 1 64 18 14 o 2.06949  0.190321  4.49738      0.787734 4.27154      1.18739  4.67491      1.05277  1.94496  0.305248  2.07142  0.254117  
1 1 1 64 18 15 o 1.63952  0.245651  2.93514      0.805502 3.47838      1.21773  2.51253      1.07406  1.67396  0.37334   1.41489  0.373879  
1 1 1 64 18 16 o 1.21032  0.318698  1.77488      0.782145 1.90311      1.1268   1.65564      1.08653  1.20365  0.400189  1.13549  0.392603  
1 1 1 64 18 17 o 1.92358  0.223083  4.04008      0.858237 3.81052      1.24942  4.24517      1.18094  1.72459  0.372803  1.89818  0.31107   
1 1 1 64 18 18 o 2.90839  0.155529  8.85522      0.904681 8.46094      1.30618  9.21876      1.25422  2.76303  0.236368  2.90803  0.215649  
1 1 1 64 18 19 o 0.59944  0.278677  -0.375257    0.806909 -0.611582    1.18695  -0.172192    1.10026  0.689663 0.325398  0.721311 0.331438  
1 1 1 64 18 20 o 1.22974  0.344047  2.0527       0.879083 0.856161     1.26143  3.18253      1.22576  0.894309 0.386124  1.46741  0.404757  
1 1 1 64 18 21 o 1.85093  0.24952   4.01745      0.923692 2.31041      1.27874  5.88002      1.33572  1.18658  0.42435   2.15669  0.30967   
1 1 1 64 18 22 o 1.15512  0.379991  2.10258      1.01593  1.58022      1.43712  2.62439      1.43637  0.974511 0.416201  1.17729  0.445213  
1 1 1 64 18 23 o 0.600481 0.286254  -0.376705    0.943276 -0.189008    1.35244  -0.554501    1.31628  0.702575 0.336782  0.662904 0.32092   
1 1 1 64 18 24 o 1.30343  0.370681  2.74839      1.01235  2.24367      1.3788   3.3387       1.49114  1.0352   0.421857  1.23067  0.456141  
1 1 1 64 18 25 o 0.789596 0.344766  1.10233      1.02774  2.12146      1.52331  0.250857     1.39239  0.890664 0.402245  0.691788 0.334051  
1 1 1 64 19 0  o 3.68796  0.149087  13.7999      1.09557  13.7999      1.09557  13.7999      1.09557  3.70145  0.104837  ?        ?         
1 1 1 64 19 1  o 2.21074  0.140364  4.97233      0.62062  5.41953      0.887529 4.54442      0.868169 2.29031  0.193757  2.09235  0.207463  
1 1 1 64 19 2  o 3.10527  0.105547  9.73757      0.655503 10.4084      0.895493 8.96322      0.962133 3.19857  0.139983  2.95944  0.162553  
1 1 1 64 19 3  o 2.62774  0.113804  6.98431      0.598094 6.95512      0.831915 7.01554      0.860472 2.6079   0.159499  2.61741  0.164375  
1 1 1 64 19 4  o 1.8886   0.149901  3.64007      0.566204 2.98269      0.784539 4.35468      0.817975 1.68578  0.232693  2.04978  0.199528  
1 1 1 64 19 5  o 0.850941 0.285413  0.754459     0.573144 1.28875      0.74413  -0.0247807   0.898656 1.07158  0.321671  0.735282 0.321708  
1 1 1 64 19 6  o 1.20904  0.254905  1.60747      0.597125 1.99678      0.760925 0.983456     0.963369 1.33477  0.293015  0.990277 0.366717  
1 1 1 64 19 7  o 0.818803 0.314668  0.575746     0.727087 0.23469      1.0563   0.882837     1.00233  0.833669 0.35646   0.966108 0.369984  
1 1 1 64 19 8  o 2.61402  0.146086  6.99451      0.763744 6.54105      1.09062  7.43089      1.06987  2.49215  0.21881   2.66704  0.200573  
1 1 1 64 19 9  o 1.77296  0.224878  3.32798      0.797397 3.3146       1.13759  3.3409       1.11804  1.68261  0.349674  1.69521  0.341753  
1 1 1 64 19 10 o 4.36659  0.117587  19.3881      1.02691  18.9518      1.38025  19.9289      1.53688  4.2866   0.160996  4.38335  0.175309  
1 1 1 64 19 11 o 0.841958 0.32261   0.650793     0.762409 0.599209     1.04045  0.710609     1.1204   0.893772 0.36571   0.935246 0.380561  
1 1 1 64 19 12 o 2.55264  0.160341  6.73476      0.818587 6.71226      1.15101  6.75778      1.16442  2.50559  0.229688  2.51263  0.231713  
1 1 1 64 19 13 o 1.75179  0.232317  3.30114      0.813943 3.65121      1.1761   2.97933      1.12761  1.74855  0.348659  1.56024  0.367076  
1 1 1 64 19 14 o 2.28049  0.185356  5.47444      0.845406 3.30903      1.20329  7.58524      1.18802  1.62733  0.376834  2.65425  0.223797  
1 1 1 64 19 15 o 0.998608 0.33319   1.1932       0.78109  1.5134       1.11216  0.881529     1.09725  1.09606  0.39537   0.939029 0.378749  
1 1 1 64 19 16 o 2.02559  0.209671  4.43504      0.849414 4.21391      1.19671  4.65957      1.20585  1.8569   0.334431  1.99789  0.301782  
1 1 1 64 19 17 o 0.491061 0.24132   -1.35521     0.814895 -2.091       1.20952  -0.74359     1.10274  0.575328 0.284484  0.661991 0.312776  
1 1 1 64 19 18 o 0.583636 0.27546   -0.615644    0.851893 -1.34976     1.26049  0.00161254   1.15582  0.640524 0.311184  0.762545 0.346639  
1 1 1 64 19 19 o 1.38196  0.322004  2.46814      0.874323 4.03118      1.25719  1.004        1.21676  1.70974  0.377748  0.921151 0.38772   
1 1 1 64 19 20 o 0.96062  0.353173  1.26945      0.89111  1.69284      1.28966  0.882621     1.23271  1.04369  0.414512  0.885314 0.381965  
1 1 1 64 19 21 o 1.90858  0.262479  4.38679      1.00192  2.62898      1.35088  6.53603      1.49373  1.2276   0.436442  2.21178  0.337677  
1 1 1 64 19 22 o 0.671221 0.311851  0.0254513    1.00842  -0.288928    1.40631  0.358196     1.4468   0.707935 0.340335  0.775841 0.364186  
1 1 1 64 19 23 o 0.747969 0.328136  0.641037     0.940096 0.268197     1.30943  1.03764      1.35052  0.734412 0.345121  0.832028 0.377095  
1 1 1 64 19 24 o 0.853375 0.353498  1.24183      0.986148 0.9618       1.38839  1.52696      1.40094  0.799296 0.369261  0.872684 0.39026   
1 1 1 64 20 0  o 3.74285  0.143804  14.2121      1.07286  14.2121      1.07286  14.2121      1.07286  3.75648  0.101142  ?        ?         
1 1 1 64 20 1  o 3.19019  0.105775  10.2896      0.674887 10.9414      0.984347 9.71138      0.927092 3.27166  0.150435  3.0823   0.150389  
1 1 1 64 20 2  o 0.71807  0.283095  0.372995     0.597465 0.0656507    0.81851  0.723516     0.874115 0.721604 0.311289  0.900208 0.345289  
1 1 1 64 20 3  o 2.53841  0.125073  6.54644      0.63497  6.38484      0.833566 6.76983      0.980089 2.49171  0.167268  2.55465  0.191825  
1 1 1 64 20 4  o 4.37733  0.0974333 19.3512      0.852995 17.7127      1.19398  21.0593      1.21904  4.1643   0.143359  4.54668  0.134059  
1 1 1 64 20 5  o 0.692054 0.276102  0.323635     0.574569 1.0625       0.720075 -0.971215    0.953243 0.980288 0.319912  0.607176 0.288726  
1 1 1 64 20 6  o 0.968463 0.316893  1.03834      0.706551 2.44029      1.03762  -0.173686    0.964782 1.43383  0.361647  0.725058 0.324061  
1 1 1 64 20 7  o 1.2408   0.294259  1.75254      0.720112 2.0001       1.03485  1.52012      1.0027   1.28918  0.377445  1.13921  0.377508  
1 1 1 64 20 8  f 1.35276  0.286749  2.0717       0.75218  0.886919     1.06498  3.25098      1.06251  0.968266 0.379006  1.67772  0.328363  
1 1 1 64 20 9  o 4.28276  0.124699  18.6945      1.06811  19.2195      1.4275   18.0266      1.60999  4.31172  0.165537  4.15055  0.193949  
1 1 1 64 20 10 o 2.25784  0.178634  5.30422      0.806655 5.14628      1.12206  5.47315      1.16048  2.17844  0.257538  2.24601  0.258342  
1 1 1 64 20 11 o 1.77274  0.219852  3.34514      0.779481 2.66623      1.08925  4.05772      1.11593  1.47721  0.369302  1.90807  0.292425  
1 1 1 64 20 12 o 1.83628  0.221424  3.60934      0.813194 4.21035      1.14527  2.99823      1.15485  1.93396  0.296094  1.55623  0.37493   
1 1 1 64 20 13 o 0.574063 0.28253   -1.85149     1.12398  -1.85149     1.12398  0            0        0.573996 0.282507  ?        ?         
1 1 1 64 20 14 f 1.50934  0.269774  2.60992      0.78498  1.35326      1.10511  3.88969      1.11522  1.05252  0.392168  1.83265  0.304265  
1 1 1 64 20 15 o 0.79774  0.325684  0.530018     0.823312 0.933577     1.14141  0.0923264    1.1887   0.946026 0.384392  0.801672 0.358968  
1 1 1 64 20 16 o 0.553432 0.264364  -0.784453    0.815096 -0.746956    1.15274  -0.821948    1.1527   0.677282 0.319901  0.668887 0.3178    
1 1 1 64 20 17 o 0.64722  0.293564  -0.126341    0.820043 0.168254     1.14342  -0.438352    1.17673  0.786233 0.352059  0.71068  0.332667  
1 1 1 64 20 18 o 0.703857 0.307555  0.227541     0.819103 0.243627     1.17138  0.212148     1.14582  0.78748  0.354345  0.777632 0.350155  
1 1 1 64 20 19 o 2.22953  0.209837  5.56732      0.935673 3.35258      1.32943  7.74127      1.31713  1.45759  0.428146  2.56272  0.25698   
1 1 1 64 20 20 o 0.81341  0.33904   0.725571     0.915923 1.33617      1.32137  0.160876     1.27073  0.960203 0.404094  0.773611 0.355772  
1 1 1 64 20 21 o 0.996797 0.363015  1.59755      0.939536 0.976742     1.26911  2.35039      1.39757  0.849269 0.376163  1.08712  0.431585  
1 1 1 64 20 22 o 1.27934  0.382432  2.77075      1.05329  4.41295      1.56312  1.40495      1.42552  1.43241  0.471343  0.882032 0.394074  
1 1 1 64 20 23 o 0.590831 0.283975  -0.477137    0.977774 -0.313455    1.35424  -0.655381    1.4132   0.678857 0.3281    0.660296 0.322653  
1 1 1 64 20 24 o 0.617515 0.294547  0.00340618   1.0025   -0.731654    1.38116  0.821866     1.45741  0.607968 0.30144   0.735035 0.351682  
1 1 1 64 21 0  o 2.89673  0.169017  8.60705      0.971561 8.60705      0.971561 8.60705      0.971561 2.91541  0.118264  ?        ?         
1 1 1 64 21 1  o 0.803299 0.294397  0.617277     0.618764 0.620793     0.861329 0.613528     0.889478 0.863435 0.340065  0.868643 0.344479  
1 1 1 64 21 2  o 1.46621  0.216604  2.26305      0.635175 1.92865      0.826481 2.74552      0.992748 1.29195  0.3209    1.54072  0.331666  
1 1 1 64 21 3  o 2.48149  0.130133  6.27646      0.645845 5.91125      0.839706 6.80542      1.01057  2.38952  0.175706  2.55219  0.197981  
1 1 1 64 21 4  o 2.77199  0.119083  7.81017      0.660195 8.03697      0.866147 7.49569      1.01989  2.79632  0.154873  2.68216  0.190125  
1 1 1 64 21 5  o 0.960022 0.279775  1.03427      0.569856 1.4493       0.711961 0.294363     0.950613 1.12244  0.307978  0.807267 0.341382  
1 1 1 64 21 6  o 1.36959  0.269842  2.09579      0.712818 1.26084      1.02827  2.86823      0.98903  1.06083  0.380413  1.57447  0.325169  
1 1 1 64 21 7  o 1.53455  0.247384  2.53298      0.759246 1.3595       1.05623  3.78761      1.09214  1.08849  0.386028  1.84919  0.295303  
1 1 1 64 21 8  o 1.18823  0.318134  1.64783      0.77129  1.3716       1.07235  1.94387      1.11017  1.09084  0.388751  1.25618  0.396156  
1 1 1 64 21 9  o 1.47428  0.287239  2.46649      0.816721 2.06633      1.16023  2.85955      1.14988  1.28385  0.405008  1.52694  0.37805   
1 1 1 64 21 10 o 0.709445 0.301981  0.18019      0.752104 1.99469      1.15009  -1.1756      0.994143 1.25732  0.403908  0.592379 0.285115  
1 1 1 64 21 11 o 2.54746  0.158394  6.73127      0.807008 5.37225      1.14746  8.06141      1.1352   2.21044  0.259555  2.75418  0.206086  
1 1 1 64 21 12 f 2.5786   0.160266  6.91994      0.826521 6.65195      1.2315   7.1396       1.11493  2.45916  0.25039   2.57762  0.216271  
1 1 1 64 21 13 o 1.62093  0.246675  2.90432      0.799687 2.1514       1.14385  3.62416      1.11843  1.26918  0.402318  1.7255   0.336082  
1 1 1 64 21 14 o 3.74375  0.131632  14.4654      0.985597 14.9371      1.35634  13.9376      1.43465  3.75341  0.18068   3.60386  0.199043  
1 1 1 64 21 15 o 1.66418  0.256305  3.12021      0.853073 2.21664      1.1834   4.09769      1.23085  1.26418  0.410078  1.80438  0.353682  
1 1 1 64 21 16 o 1.88078  0.231986  3.9459       0.872629 3.20652      1.2181   4.72541      1.25071  1.52394  0.396081  1.9711   0.317263  
1 1 1 64 21 17 o 0.817707 0.330719  0.702717     0.839833 0.802119     1.18539  0.602536     1.19003  0.884558 0.377896  0.85005  0.371078  
1 1 1 64 21 18 o 0.774026 0.325068  0.559379     0.852153 -0.387786    1.2287   1.43718      1.18286  0.707038 0.332855  0.995646 0.39649   
1 1 1 64 21 19 f 1.03475  0.356323  1.53598      0.894229 1.88767      1.28263  1.20337      1.24737  1.07694  0.417081  0.9372   0.393429  
1 1 1 64 21 20 f 1.18214  0.361779  2.16338      0.935213 1.37087      1.26505  3.11849      1.38878  0.923074 0.392242  1.27817  0.443677  
1 1 1 64 21 21 o 1.07518  0.373449  1.97853      0.984056 1.8755       1.36698  2.08936      1.41774  0.970145 0.409773  1.00103  0.419796  
1 1 1 64 21 22 f 0.769556 0.33978   0.700157     1.02448  0.509929     1.41279  0.91112      1.48779  0.775466 0.363264  0.825801 0.381791  
1 1 1 64 21 23 o 0.653057 0.305355  0.242235     0.986598 0.535453     1.35545  -0.088156    1.4388   0.71777  0.342398  0.669978 0.327007  
1 1 1 64 22 0  o 3.49685  0.148044  12.4545      1.03116  12.4545      1.03116  12.4545      1.03116  3.51312  0.10398   ?        ?         
1 1 1 64 22 1  o 2.49847  0.138727  6.38813      0.693209 5.16865      0.91178  8.05861      1.06714  2.2176   0.205578  2.77758  0.192099  
1 1 1 64 22 2  f 3.98384  0.0995815 16.0628      0.793434 16.319       1.07332  15.7541      1.17816  3.99621  0.134293  3.91576  0.150438  
1 1 1 64 22 3  o 1.8668   0.163847  3.59964      0.611738 3.45036      0.781655 3.83558      0.982711 1.80658  0.216335  1.88165  0.261131  
1 1 1 64 22 4  o 1.4336   0.201469  2.15831      0.577649 2.12267      0.724573 2.22045      0.956879 1.37629  0.272937  1.36589  0.348963  
1 1 1 64 22 5  o 2.19863  0.166024  5.00043      0.730053 4.92006      1.05978  5.073        1.00714  2.13749  0.247902  2.18078  0.230912  
1 1 1 64 22 6  o 1.51337  0.246139  2.46684      0.744998 1.82636      1.05364  3.10718      1.05353  1.22261  0.385983  1.62908  0.334839  
1 1 1 64 22 7  o 3.09241  0.139111  9.80579      0.860377 10.321       1.18698  9.23543      1.24889  3.13958  0.189035  2.95325  0.211444  
1 1 1 64 22 8  o 1.53067  0.272818  2.63632      0.805187 3.68155      1.13284  1.56915      1.14467  1.77169  0.331975  1.13845  0.402053  
1 1 1 64 22 9  o 1.33583  0.298337  2.07451      0.776722 3.57986      1.1701   0.888634     1.03854  1.72516  0.351317  0.948128 0.373415  
1 1 1 64 22 10 o 0.836875 0.322163  0.675646     0.76286  -0.129964    1.13955  1.32987      1.02691  0.770454 0.347934  1.05612  0.38002   
1 1 1 64 22 11 o 2.44491  0.16638   6.24819      0.813568 5.09545      1.21999  7.17136      1.09177  2.11694  0.28815   2.5845   0.211216  
1 1 1 64 22 12 o 2.3559   0.177816  5.8639       0.837832 3.73359      1.29541  7.39586      1.09853  1.69298  0.390306  2.61819  0.209788  
1 1 1 64 22 13 o 0.689729 0.304275  0.0542434    0.819191 -0.0505326   1.13801  0.166925     1.18016  0.766276 0.346785  0.81025  0.360374  
1 1 1 64 22 14 o 3.64608  0.147822  13.8568      1.07794  12.6185      1.36425  15.9147      1.75866  3.42296  0.19928   3.79684  0.231595  
1 1 1 64 22 15 o 0.65231  0.295418  -0.109209    0.827293 0.33433      1.18378  -0.532636    1.15663  0.820706 0.363432  0.693262 0.325459  
1 1 1 64 22 16 o 1.72996  0.26754   3.51782      0.925667 4.22979      1.23541  2.60644      1.39775  1.78401  0.358859  1.26882  0.444659  
1 1 1 64 22 17 o 1.11148  0.348529  1.72277      0.860905 1.58244      1.23818  1.85411      1.19783  1.02602  0.406575  1.09296  0.40808   
1 1 1 64 22 18 o 0.728997 0.316393  0.369553     0.855349 0.29499      1.21166  0.443621     1.20764  0.78468  0.356225  0.805781 0.361286  
1 1 1 64 22 19 o 0.572978 0.274093  -0.573885    0.884218 -0.963685    1.22312  -0.147153    1.27975  0.627352 0.305335  0.717761 0.338428  
1 1 1 64 22 20 o 0.824402 0.338053  0.973833     0.890942 -0.40929     1.23011  2.49999      1.29215  0.66116  0.317958  1.12202  0.422867  
1 1 1 64 22 21 o 0.664575 0.307819  0.0906077    0.972903 1.39787      1.33392  -1.39518     1.42209  0.88907  0.390449  0.616315 0.30565   
1 1 1 64 22 22 o 1.039    0.390551  2.16619      1.10078  4.06486      1.58924  0.415296     1.52614  1.25585  0.469821  0.740349 0.355581  
1 1 1 64 23 0  o 0.571822 0.36237   0.271812     0.871404 0.271812     0.871404 0.271812     0.871404 0.509421 0.314799  ?        ?         
1 1 1 64 23 1  o 1.61281  0.206111  2.74128      0.664836 2.6352       0.883703 2.87963      1.00918  1.51844  0.301709  1.56851  0.331894  
1 1 1 64 23 2  o 2.0104   0.161739  4.17674      0.65032  4.50565      0.882665 3.78621      0.961806 2.06301  0.213926  1.8681   0.257429  
1 1 1 64 23 3  o 2.03668  0.156481  4.2793       0.637401 5.49401      0.819402 2.41796      1.01431  2.29702  0.178362  1.41615  0.357788  
1 1 1 64 23 4  o 2.45024  0.130747  6.13853      0.640723 6.46291      0.833252 5.66927      1.0022   2.49678  0.166865  2.31041  0.216887  
1 1 1 64 23 5  f 1.6474   0.233988  2.91342      0.770944 3.30264      1.09349  2.52875      1.08709  1.6726   0.33871   1.43328  0.374949  
1 1 1 64 23 6  o 2.26876  0.17585   5.36868      0.797923 6.46256      1.14172  4.32429      1.1156   2.45122  0.232889  1.9725   0.282787  
1 1 1 64 23 7  o 2.14015  0.188735  4.81774      0.807841 6.46183      1.16485  3.29426      1.12131  2.44326  0.238381  1.6529   0.349918  
1 1 1 64 23 8  o 3.29682  0.132588  11.1606      0.87424  9.76012      1.24538  12.5212      1.22754  3.02809  0.205637  3.45648  0.177571  
1 1 1 64 23 9  o 3.04497  0.137168  9.55122      0.835341 8.56638      1.19551  10.4908      1.16768  2.82663  0.211473  3.15289  0.185177  
1 1 1 64 23 10 o 1.5075   0.272195  2.61198      0.790628 1.94637      1.23429  3.07511      1.02958  1.20357  0.418224  1.58761  0.334713  
1 1 1 64 23 11 o 0.796015 0.319893  0.559725     0.778695 -0.798929    1.14155  1.74208      1.06492  0.671399 0.317698  1.15033  0.389045  
1 1 1 64 23 12 o 1.6427   0.249527  3.0162       0.819793 1.38028      1.13694  4.78788      1.18317  1.0467   0.396019  2.03237  0.291081  
1 1 1 64 23 13 o 3.40331  0.169319  12.2316      1.15249  14.2371      1.58308  9.97023      1.68105  3.60679  0.219458  2.93008  0.286861  
1 1 1 64 23 14 o 1.44109  0.310218  2.57666      0.868504 1.83049      1.21926  3.34525      1.23744  1.12751  0.413251  1.55039  0.397276  
1 1 1 64 23 15 o 0.485315 0.239049  -1.32012     0.813886 -0.804945    1.13177  -1.87188     1.17127  0.645727 0.309182  0.565313 0.279633  
1 1 1 64 23 16 o 1.80628  0.23476   3.74971      0.848087 3.83038      1.19568  3.66804      1.20311  1.66088  0.36961   1.60931  0.379515  
1 1 1 64 23 17 o 0.68011  0.303049  0.139751     0.838014 0.00779171   1.19845  0.266003     1.17225  0.743749 0.343399  0.774057 0.351048  
1 1 1 64 23 18 o 0.810477 0.334555  0.803251     0.878449 1.70795      1.22965  -0.139712    1.25538  1.00975  0.403562  0.717387 0.337354  
1 1 1 64 23 19 o 1.95894  0.243106  4.69581      0.952461 5.25126      1.31147  4.07583      1.38555  1.87428  0.36281   1.4938   0.436547  
1 1 1 64 23 20 o 0.78023  0.337261  0.799383     0.96449  1.11143      1.32496  0.447645     1.40669  0.842536 0.378081  0.764017 0.35872   
1 1 1 64 23 21 o 0.912125 0.366827  1.49298      1.02503  0.635399     1.4383   2.37808      1.4612   0.770736 0.36205   1.00843  0.42469   
1 1 1 64 24 0  o 2.33761  0.196726  5.72112      0.904752 5.72112      0.904752 5.72112      0.904752 2.36532  0.136272  ?        ?         
1 1 1 64 24 1  o 2.68835  0.12711   7.3892       0.68343  7.02876      0.904446 7.86891      1.04342  2.59703  0.174131  2.7369   0.19062   
1 1 1 64 24 2  o 0.90127  0.293978  0.909819     0.608062 1.54398      0.800121 0.0428469    0.935528 1.13843  0.331435  0.743014 0.326641  
1 1 1 64 24 3  o 2.06572  0.15946   4.42193      0.658799 5.30673      0.856321 3.13874      1.03124  2.24623  0.190613  1.63234  0.327416  
1 1 1 64 24 4  o 1.08501  0.321837  1.39565      0.747907 2.51425      1.13392  0.534283     0.995038 1.40927  0.389552  0.857271 0.355099  
1 1 1 64 24 5  o 1.47508  0.277875  2.48255      0.789732 2.44635      1.1187   2.5185       1.115    1.38687  0.38815   1.41013  0.384754  
1 1 1 64 24 6  o 2.58305  0.157272  6.92839      0.812483 7.44204      1.17983  6.46508      1.12052  2.62694  0.224563  2.44477  0.229166  
1 1 1 64 24 7  o 2.03164  0.193906  4.37768      0.787894 4.48251      1.17453  4.29192      1.06239  1.98035  0.296546  1.95785  0.271316  
1 1 1 64 24 8  o 2.70471  0.154239  7.61185      0.834344 6.87521      1.21309  8.27314      1.14937  2.49891  0.242723  2.77615  0.207008  
1 1 1 64 24 9  o 0.839807 0.324868  0.716856     0.777702 1.78816      1.14436  -0.202569    1.06014  1.15837  0.402683  0.723944 0.329863  
1 1 1 64 24 10 f 1.39206  0.317384  2.3641       0.864327 2.09636      1.27672  2.59063      1.17437  1.22587  0.425412  1.38341  0.40114   
1 1 1 64 24 11 o 1.44665  0.290519  2.48345      0.810965 2.14947      1.11906  2.85285      1.17688  1.25613  0.397909  1.45595  0.394411  
1 1 1 64 24 12 o 1.26942  0.327663  2.02899      0.837296 1.88576      1.15201  2.18937      1.21906  1.16463  0.404107  1.23941  0.41625   
1 1 1 64 24 13 o 2.64788  0.179987  7.52956      0.953166 7.22591      1.27876  7.90919      1.42981  2.5087   0.254866  2.59684  0.275298  
1 1 1 64 24 14 o 1.41423  0.305563  2.52259      0.839747 3.4267       1.1956   1.64234      1.17972  1.55995  0.385046  1.05828  0.40252   
1 1 1 64 24 15 o 1.22532  0.331127  2.02048      0.830767 1.83512      1.1748   2.2059       1.17497  1.09019  0.404715  1.18745  0.408489  
1 1 1 64 24 16 o 0.791308 0.326695  0.661507     0.837874 -0.0827448   1.20352  1.3615       1.16718  0.732922 0.340582  0.970485 0.390964  
1 1 1 64 24 17 f 0.775509 0.327312  0.651413     0.871071 -0.76221     1.21455  2.14873      1.24998  0.645747 0.311859  1.10881  0.416299  
1 1 1 64 24 18 o 0.79934  0.33412   0.850169     0.89343  1.44312      1.22197  0.169143     1.30958  0.918044 0.387581  0.736845 0.34599   
1 1 1 64 24 19 o 0.793686 0.337458  0.878277     0.937316 -0.713822    1.35946  2.32095      1.29409  0.649781 0.317277  1.06022  0.417065  
1 1 1 64 24 20 o 0.91118  0.359966  1.4275       0.967828 1.77546      1.40676  1.11478      1.3336   0.92672  0.404011  0.832135 0.37606   
1 1 1 64 24 21 o 0.792297 0.342574  1.16779      0.995651 0.903442     1.3635   1.46976      1.4573   0.74137  0.349491  0.800803 0.373146  
1 1 1 64 25 0  o 3.73753  0.142434  14.2477      1.06119  14.2477      1.06119  14.2477      1.06119  3.75615  0.100047  ?        ?         
1 1 1 64 25 1  o 2.66558  0.148204  7.34749      0.7901   7.10236      1.12274  7.58799      1.11208  2.5715   0.218304  2.66599  0.208568  
1 1 1 64 25 2  o 0.632918 0.282123  -0.103837    0.726875 -0.225841    1.11266  -0.0130046   0.960053 0.74687  0.339672  0.73363  0.325774  
1 1 1 64 25 3  o 2.8571   0.145688  8.4381       0.832491 8.27191      1.23055  8.57836      1.13045  2.76901  0.222201  2.84046  0.19899   
1 1 1 64 25 4  o 2.62622  0.154994  7.16552      0.814096 8.48042      1.21219  6.08519      1.09876  2.80704  0.21592   2.36462  0.232333  
1 1 1 64 25 5  f 2.19052  0.180044  5.05905      0.788779 4.36099      1.1507   5.67778      1.08335  1.94988  0.295069  2.27648  0.237944  
1 1 1 64 25 6  o 0.612329 0.277832  -0.20399     0.735116 0.0710235    1.11552  -0.415096    0.97735  0.784238 0.349539  0.668731 0.309276  
1 1 1 64 25 7  o 2.85244  0.144315  8.44497      0.823303 8.7863       1.22281  8.16193      1.11351  2.84694  0.214758  2.75627  0.201995  
1 1 1 64 25 8  o 2.31151  0.186258  5.68811      0.861074 5.37358      1.23374  5.98683      1.20236  2.16066  0.2855    2.30589  0.260715  
1 1 1 64 25 9  o 0.976501 0.339954  1.16323      0.815851 2.00068      1.15253  0.322124     1.15505  1.20965  0.404732  0.828168 0.363518  
1 1 1 64 25 10 o 2.15985  0.195723  5.01426      0.845462 5.26378      1.20754  4.77432      1.18413  2.1329   0.283074  2.02169  0.292858  
1 1 1 64 25 11 o 0.741445 0.314994  0.353716     0.815518 0.274784     1.11028  0.446193     1.20178  0.796565 0.352454  0.843446 0.370507  
1 1 1 64 25 12 o 1.53645  0.291478  2.8798       0.863239 2.68088      1.19397  3.09766      1.24953  1.35209  0.407779  1.45619  0.411085  
1 1 1 64 25 13 o 0.895722 0.339844  1.01212      0.839212 2.25695      1.22519  -0.0881569   1.15185  1.20342  0.416822  0.731949 0.337458  
1 1 1 64 25 14 o 2.11097  0.208824  4.98729      0.881643 5.37117      1.20347  4.54262      1.29525  2.09487  0.287243  1.81191  0.370222  
1 1 1 64 25 15 o 0.940963 0.343215  1.21207      0.840125 2.12139      1.21029  0.366463     1.16712  1.14536  0.412515  0.786667 0.353855  
1 1 1 64 25 16 o 1.07062  0.353489  1.72263      0.87916  1.18646      1.21117  2.31976      1.27817  0.904043 0.383967  1.13976  0.422339  
1 1 1 64 25 17 o 0.705335 0.314434  0.379221     0.903103 -0.136928    1.27033  0.90665      1.28414  0.698649 0.332737  0.828812 0.37206   
1 1 1 64 25 18 o 0.67822  0.304468  0.327349     0.860007 0.909908     1.24403  -0.205901    1.19022  0.809151 0.364573  0.665916 0.31842   
1 1 1 64 25 19 o 0.73001  0.323949  0.560987     0.947202 0.634259     1.38214  0.496099     1.30066  0.777196 0.36263   0.75496  0.35207   
1 1 1 64 25 20 o 1.0346   0.372409  2.17104      0.986273 2.41723      1.41837  1.94056      1.37237  0.932785 0.406172  0.869659 0.387653  
1 1 1 64 26 0  o 4.92376  0.165496  24.9018      1.62556  24.9018      1.62556  24.9018      1.62556  4.957    0.116085  ?        ?         
1 1 1 64 26 1  o 1.63904  0.260942  3.00686      0.855391 4.95345      1.265    1.36694      1.16108  2.06143  0.306826  1.05378  0.399761  
1 1 1 64 26 2  o 1.64045  0.237692  2.96057      0.779846 2.1585       1.24403  3.47981      1.00093  1.25424  0.42049   1.74188  0.287313  
1 1 1 64 26 3  o 2.49668  0.169319  6.55654      0.845472 5.93682      1.20036  7.16668      1.19104  2.29865  0.261102  2.55416  0.233157  
1 1 1 64 26 4  o 0.889498 0.329459  0.883042     0.777631 1.16985      1.14434  0.636962     1.05997  1.00009  0.392579  0.871694 0.364119  
1 1 1 64 26 5  o 0.698999 0.297583  0.231703     0.730561 -0.985499    1.10597  1.17398      0.973081 0.639243 0.305972  0.98893  0.368093  
1 1 1 64 26 6  o 1.27522  0.310237  1.98178      0.784797 2.31738      1.16076  1.6992       1.06513  1.30294  0.403929  1.13457  0.389061  
1 1 1 64 26 7  o 0.966712 0.339689  1.13519      0.816174 -0.593747    1.1939   2.6521       1.1183   0.707279 0.33179   1.41128  0.385435  
1 1 1 64 26 8  o 0.804362 0.327765  0.567853     0.832274 -0.0661877   1.16542  1.22776      1.18896  0.766378 0.3483    1.0066   0.398559  
1 1 1 64 26 9  o 0.741657 0.313129  0.366518     0.797654 0.656128     1.08691  0.0284913    1.17425  0.863823 0.365154  0.774731 0.351351  
1 1 1 64 26 10 f 1.95465  0.2257    4.26671      0.882329 4.1992       1.27067  4.32957      1.22613  1.7762   0.369891  1.83229  0.347191  
1 1 1 64 26 11 o 0.740686 0.318741  0.36411      0.854167 0.241034     1.15058  0.515219     1.27491  0.782835 0.35178   0.846839 0.375808  
1 1 1 64 26 12 o 2.27655  0.20146   5.7418       0.917268 4.53601      1.28028  7.01355      1.31484  1.82654  0.363364  2.42326  0.271295  
1 1 1 64 26 13 o 0.532952 0.257169  -0.834805    0.82164  -1.63436     1.16673  -0.0481458   1.15728  0.574697 0.283028  0.730755 0.337418  
1 1 1 64 26 14 o 1.22115  0.336371  2.05406      0.84726  0.22873      1.18854  3.93999      1.20811  0.768804 0.350025  1.66823  0.371724  
1 1 1 64 26 15 o 0.896331 0.348967  1.17201      0.90036  1.76399      1.29243  0.613827     1.255    1.00433  0.408714  0.806925 0.36473   
1 1 1 64 26 16 o 0.640109 0.294213  0.0354758    0.867702 -0.529169    1.24947  0.56144      1.20592  0.655368 0.31646   0.772997 0.352106  
1 1 1 64 26 17 o 0.735104 0.319245  0.616159     0.871879 0.458846     1.26074  0.760363     1.20706  0.750413 0.348662  0.785912 0.356334  
1 1 1 64 26 18 o 0.80558  0.336191  0.94444      0.902322 0.093913     1.31371  1.70403      1.2415   0.713253 0.339064  0.939875 0.393428  
1 1 1 64 26 19 o 0.955659 0.363655  1.8157       0.963268 3.03513      1.41184  0.753665     1.31757  1.05835  0.428491  0.732588 0.344825  
1 1 1 64 27 0  o 1.96531  0.334196  4.51963      1.19951  4.51963      1.19951  4.51963      1.19951  2.05396  0.21162   ?        ?         
1 1 1 64 27 1  o 2.41166  0.184516  6.18927      0.889979 6.09706      1.28529  6.27421      1.23354  2.3075   0.278503  2.35853  0.261507  
1 1 1 64 27 2  o 2.83313  0.161567  8.42307      0.91548  7.10275      1.3344   9.59712      1.25832  2.50321  0.266537  2.97542  0.211452  
1 1 1 64 27 3  o 1.57755  0.28471   2.9234       0.865427 2.86632      1.24839  2.97621      1.2008   1.44186  0.412139  1.48826  0.396265  
1 1 1 64 27 4  o 2.80536  0.158041  8.2479       0.886722 7.57073      1.32676  8.79454      1.19206  2.59357  0.255779  2.84835  0.209254  
1 1 1 64 27 5  o 0.768558 0.31718   0.461129     0.789318 0.104372     1.16651  0.762418     1.072    0.792362 0.35518   0.893125 0.369179  
1 1 1 64 27 6  o 1.52689  0.283089  2.75598      0.832052 2.51435      1.27095  2.93723      1.10072  1.32157  0.424606  1.49516  0.369697  
1 1 1 64 27 7  o 0.619244 0.286177  -0.331424    0.834809 0.71039      1.24699  -1.17756     1.1238   0.895649 0.38527   0.615797 0.297839  
1 1 1 64 27 8  o 1.95314  0.224906  4.25702      0.878546 5.10355      1.24903  3.42809      1.23597  2.0519   0.30436   1.56728  0.394341  
1 1 1 64 27 9  o 1.25899  0.339074  2.10382      0.872953 2.20375      1.24388  2.00683      1.22541  1.19826  0.419514  1.15096  0.415028  
1 1 1 64 27 10 o 0.549816 0.2677    -1.12784     0.942837 -1.56933     1.33038  -0.682369    1.33638  0.629314 0.308966  0.706345 0.337669  
1 1 1 64 27 11 o 1.53786  0.298037  2.97766      0.883958 3.03846      1.29597  2.92477      1.20879  1.38192  0.426483  1.38286  0.408915  
1 1 1 64 27 12 o 1.08919  0.34717   1.6663       0.85089  1.93022      1.24797  1.43703      1.16318  1.09666  0.41491   0.989741 0.39348   
1 1 1 64 27 13 o 1.93032  0.227252  4.29259      0.877335 2.95256      1.26827  5.52225      1.21492  1.34236  0.423444  2.10762  0.288222  
1 1 1 64 27 14 o 0.764675 0.324989  0.66576      0.868689 -0.450893    1.26043  1.67605      1.1989   0.674767 0.323856  0.983384 0.396208  
1 1 1 64 27 15 o 1.67277  0.266389  3.55815      0.891216 3.38897      1.25158  3.73218      1.26934  1.37502  0.418065  1.46376  0.414688  
1 1 1 64 27 16 o 1.51157  0.304724  3.16512      0.888908 4.3385       1.26075  2.00521      1.25349  1.62193  0.392361  1.00302  0.404712  
1 1 1 64 27 17 o 0.731245 0.319199  0.602283     0.880456 -1.68575     1.2814   2.64859      1.21182  0.565754 0.281924  1.15971  0.413262  
1 1 1 64 27 18 o 0.73102  0.322278  0.78544      0.91693  0.449328     1.29457  1.12381      1.29891  0.701736 0.334719  0.778291 0.358644  
1 1 1 64 28 0  o 0.502639 0.348984  -0.472615    1.14024  -0.472615    1.14024  -0.472615    1.14024  0.413995 0.287941  ?        ?         
1 1 1 64 28 1  o 1.50166  0.285912  2.6781       0.82778  2.6857       1.17139  2.67051      1.16993  1.39392  0.399481  1.38981  0.399536  
1 1 1 64 28 2  o 1.2402   0.340425  1.97568      0.869668 2.53472      1.20049  1.3583       1.26157  1.33827  0.409957  1.03016  0.40971   
1 1 1 64 28 3  o 1.80767  0.249532  3.69698      0.902143 2.10683      1.20448  5.72889      1.36155  1.21148  0.413754  2.17936  0.312374  
1 1 1 64 28 4  o 1.5841   0.303313  3.0623       0.926684 3.46401      1.25388  2.5788       1.37562  1.58291  0.396533  1.29828  0.442171  
1 1 1 64 28 5  o 1.35503  0.336356  2.37846      0.90845  2.3649       1.25097  2.39358      1.32141  1.25718  0.421663  1.25103  0.432922  
1 1 1 64 28 6  o 0.716221 0.312581  0.236582     0.843991 1.22436      1.24453  -0.604531    1.14842  0.977015 0.399905  0.67564  0.319208  
1 1 1 64 28 7  f 1.89307  0.224571  4.03283      0.850259 4.33459      1.21158  3.74         1.19352  1.82086  0.345212  1.6576   0.369553  
1 1 1 64 28 8  o 1.34686  0.334694  2.41138      0.898748 1.51531      1.31231  3.20291      1.23339  1.01795  0.412708  1.46812  0.40648   
1 1 1 64 28 9  o 1.40183  0.324436  2.58452      0.892322 2.71746      1.26246  2.45179      1.26141  1.3052   0.423571  1.23339  0.42335   
1 1 1 64 28 10 o 0.567547 0.27127   -0.665791    0.861554 -2.44987     1.28968  0.772087     1.1578   0.555335 0.277586  0.85712  0.369995  
1 1 1 64 28 11 o 1.50284  0.299878  2.88058      0.869421 3.86089      1.25375  1.97246      1.2067   1.62279  0.390457  1.10628  0.410276  
1 1 1 64 28 12 o 0.616219 0.28459   -0.147784    0.823799 -0.905318    1.20967  0.507399     1.12499  0.633174 0.306745  0.785611 0.350561  
1 1 1 64 28 13 f 1.28208  0.337514  2.40564      0.877359 2.90017      1.29578  1.987        1.19222  1.24201  0.42881   1.04606  0.402735  
1 1 1 64 28 14 o 0.906333 0.344757  1.29612      0.865494 0.458077     1.2306   2.11641      1.21749  0.754939 0.348341  1.04661  0.406142  
1 1 1 64 28 15 o 0.790405 0.328748  0.862972     0.858318 1.00056      1.23009  0.732423     1.19822  0.825647 0.36755   0.784123 0.3553    
1 1 1 64 28 16 o 0.592443 0.279034  -0.216736    0.865398 -0.706587    1.25163  0.231934     1.19786  0.626746 0.305741  0.710329 0.333062  
1 1 1 64 28 17 o 0.920467 0.353377  1.63661      0.916213 1.45563      1.29445  1.8183       1.29699  0.818347 0.370128  0.872673 0.384116  
1 1 1 64 29 0  o 4.08564  0.195755  17.5593      1.5912   17.5593      1.5912   17.5593      1.5912   4.13863  0.136267  ?        ?         
1 1 1 64 29 1  o 2.16845  0.22582   5.27418      0.979357 5.97885      1.35055  4.49267      1.42228  2.21206  0.305268  1.77806  0.408329  
1 1 1 64 29 2  o 0.802847 0.334001  0.60186      0.88629  0.419279     1.18635  0.832472     1.33329  0.821388 0.363768  0.908966 0.394767  
1 1 1 64 29 3  o 2.08414  0.222924  4.87439      0.92921  4.74113      1.22248  5.05673      1.42999  1.95582  0.312523  1.91587  0.386744  
1 1 1 64 29 4  f 1.17374  0.350322  1.88312      0.884298 1.45487      1.18904  2.41315      1.3228   1.01393  0.399485  1.22916  0.432396  
1 1 1 64 29 5  o 0.787326 0.331437  0.565667     0.889347 0.105595     1.18781  1.15261      1.34164  0.765939 0.349042  0.951309 0.404082  
1 1 1 64 29 6  o 1.97284  0.249416  4.53951      0.984119 5.26294      1.23629  3.28824      1.62593  2.06111  0.29991   1.34398  0.478716  
1 1 1 64 29 7  f 0.793696 0.335892  0.600406     0.921409 -0.258896    1.20311  1.81942      1.43296  0.715251 0.335087  1.06156  0.430911  
1 1 1 64 29 8  o 0.677819 0.305885  0.0565609    0.879221 -0.184101    1.21881  0.31768      1.26955  0.725848 0.339392  0.800591 0.363764  
1 1 1 64 29 9  o 0.938861 0.344027  1.20744      0.844949 1.19673      1.22577  1.21714      1.16632  0.935075 0.39114   0.938114 0.386085  
1 1 1 64 29 10 o 1.10217  0.357548  1.78806      0.899627 2.79579      1.32663  0.930126     1.22407  1.26897  0.434227  0.873787 0.378853  
1 1 1 64 29 11 o 1.73947  0.25815   3.7413       0.898091 3.62495      1.28183  3.85348      1.25867  1.46269  0.417473  1.54339  0.403317  
1 1 1 64 29 12 o 2.06567  0.237686  5.17321      0.981964 6.12708      1.3727   4.1735       1.40529  2.08993  0.328408  1.51204  0.438931  
1 1 1 64 29 13 o 0.863301 0.342071  1.16196      0.876406 0.665607     1.30141  1.57386      1.18553  0.781874 0.359769  0.927756 0.38615   
1 1 1 64 29 14 o 1.08932  0.355015  1.91845      0.886768 0.782784     1.27912  2.96934      1.23045  0.799083 0.363625  1.2533   0.41819   
1 1 1 64 29 15 o 0.652455 0.298486  0.186445     0.881528 0.219241     1.33305  0.160957     1.17516  0.720573 0.342073  0.694888 0.326664  
1 1 1 64 29 16 o 0.587105 0.279613  -0.0969509   0.897083 0.757778     1.26674  -0.956897    1.2706   0.723426 0.33981   0.577026 0.286588  
1 1 1 64 30 0  o 0.484927 0.343811  -0.83882     1.28021  -0.83882     1.28021  -0.83882     1.28021  0.395238 0.28216   ?        ?         
1 1 1 64 30 1  f 1.463    0.330292  2.8271       0.943605 4.37412      1.338    1.29634      1.33095  1.74714  0.39252   0.96837  0.40645   
1 1 1 64 30 2  o 2.0571   0.23439   4.86146      0.964327 6.25688      1.42994  3.69746      1.306    2.20954  0.323584  1.56849  0.411271  
1 1 1 64 30 3  o 1.45111  0.338702  2.82606      0.966032 2.5519       1.33945  3.12325      1.39457  1.23834  0.435162  1.36998  0.445206  
1 1 1 64 30 4  o 0.743142 0.325474  0.352194     0.921727 0.492977     1.24236  0.179819     1.3747   0.823347 0.36787   0.801153 0.369096  
1 1 1 64 30 5  o 1.18448  0.356015  1.98756      0.911121 1.8273       1.16173  2.24367      1.46858  1.08556  0.402565  1.13875  0.445203  
1 1 1 64 30 6  o 1.32889  0.342433  2.42325      0.91556  1.72594      1.1918   3.42736      1.43014  1.05238  0.403319  1.42417  0.449695  
1 1 1 64 30 7  o 0.853561 0.345431  0.898266     0.917001 2.80895      1.20555  -1.72507     1.41259  1.33175  0.411403  0.629029 0.310169  
1 1 1 64 30 8  o 0.89588  0.355077  1.10768      0.944551 1.72938      1.2987   0.409501     1.37627  1.02151  0.412038  0.810471 0.371684  
1 1 1 64 30 9  o 0.599938 0.284911  -0.420288    0.925532 -0.1746      1.24269  -0.72633     1.38696  0.702268 0.331912  0.676681 0.328019  
1 1 1 64 30 10 o 2.07685  0.241035  5.24126      1.00119  5.31136      1.3694   5.16075      1.46747  1.86091  0.381072  1.74969  0.423332  
1 1 1 64 30 11 f 1.02289  0.357466  1.7184       0.902798 1.59978      1.29894  1.82925      1.25566  0.929496 0.396289  0.977933 0.40122   
1 1 1 64 30 12 o 1.02504  0.355237  1.73905      0.889995 1.43499      1.29831  2.0086       1.2224   0.89155  0.388408  1.01023  0.402822  
1 1 1 64 30 13 o 1.35208  0.347914  2.79134      0.946098 2.40637      1.40543  3.11036      1.2794   1.05508  0.427372  1.26351  0.426428  
1 1 1 64 30 14 o 0.769858 0.327679  0.862281     0.885473 0.283389     1.28715  1.38238      1.22004  0.711726 0.337049  0.856511 0.374796  
1 1 1 64 30 15 o 0.97691  0.35918   1.87095      0.921689 1.55672      1.3499   2.14539      1.26152  0.81935  0.373036  0.925007 0.392322  
1 1 1 64 31 0  o 0.488119 0.350742  -1.23412     1.46313  -1.23412     1.46313  -1.23412     1.46313  0.394137 0.284987  ?        ?         
1 1 1 64 31 1  o 0.814079 0.34946   0.654167     1.02227  1.25414      1.48262  0.110427     1.41143  0.953889 0.415313  0.793416 0.368745  
1 1 1 64 31 2  o 1.84894  0.280479  4.18491      1.03718  4.38005      1.52681  4.01768      1.41334  1.62845  0.452705  1.58806  0.433126  
1 1 1 64 31 3  o 0.568804 0.275462  -0.967082    0.973037 -1.43189     1.3267   -0.426       1.43142  0.62945  0.308874  0.737794 0.351929  
1 1 1 64 31 4  o 0.549726 0.268002  -1.10099     0.956258 -0.457272    1.3601   -1.73026     1.34474  0.719037 0.342998  0.611204 0.301678  
1 1 1 64 31 5  o 0.911339 0.364082  1.1691       1.00032  0.575303     1.31821  1.97524      1.53594  0.82571  0.373481  1.04914  0.438282  
1 1 1 64 31 6  o 0.830229 0.34628   0.881081     0.956442 0.181272     1.19716  2.11597      1.59029  0.743682 0.343309  1.04343  0.441415  
1 1 1 64 31 7  o 0.637803 0.297697  -0.121703    0.932539 0.587536     1.24546  -1.02668     1.40686  0.791686 0.359871  0.653541 0.319951  
1 1 1 64 31 8  o 1.63413  0.313801  3.67125      0.988993 3.25857      1.34648  4.15471      1.45739  1.30294  0.437462  1.47942  0.451395  
1 1 1 64 31 9  o 0.953332 0.358285  1.49506      0.926325 0.99101      1.20879  2.21224      1.44186  0.830904 0.367688  1.02208  0.425661  
1 1 1 64 31 10 o 0.571681 0.276581  -0.652131    0.971771 -0.401249    1.37634  -0.901524    1.37225  0.676878 0.327768  0.63767  0.3133    
1 1 1 64 31 11 o 1.14933  0.369485  2.19804      0.962283 2.62196      1.35132  1.76191      1.37063  1.11911  0.429299  0.947412 0.405601  
1 1 1 64 31 12 o 1.07478  0.367735  2.00026      0.951452 3.53536      1.29176  0.179884     1.40668  1.34895  0.427534  0.728168 0.347703  
1 1 1 64 31 13 o 1.68156  0.304724  4.10905      0.987137 4.23403      1.33678  3.95917      1.46391  1.42068  0.432083  1.25885  0.453653  
1 1 1 64 32 0  o 0.407024 0.301931  -3.24777     1.63048  -3.24777     1.63048  -3.24777     1.63048  0.31459  0.235137  ?        ?         
1 1 1 64 32 1  o 1.93908  0.302192  4.93629      1.17195  5.965        1.53344  3.49156      1.81724  1.95821  0.405251  1.22372  0.489964  
1 1 1 64 32 2  o 0.664961 0.312395  -0.177599    1.07137  0.49718      1.38817  -1.17162     1.68485  0.799292 0.369249  0.695775 0.342695  
1 1 1 64 32 3  f 0.537516 0.265021  -1.34827     1.03069  -0.962181    1.40698  -1.7954      1.51415  0.658213 0.321706  0.624377 0.310482  
1 1 1 64 32 4  o 0.662718 0.311048  -0.126897    1.05426  -0.454317    1.38969  0.317026     1.61815  0.693611 0.334634  0.793321 0.376737  
1 1 1 64 32 5  o 1.0574   0.381042  1.91761      1.03278  1.88769      1.4012   1.9532       1.52818  0.986047 0.415601  0.983441 0.424806  
1 1 1 64 32 6  o 0.969985 0.372658  1.60961      1.01952  0.882938     1.46691  2.28863      1.41799  0.829004 0.381667  1.04625  0.427324  
1 1 1 64 32 7  o 2.0079   0.274722  5.23793      1.10323  5.72327      1.60846  4.80676      1.51603  1.74735  0.455608  1.57635  0.455348  
1 1 1 64 32 8  o 1.40439  0.355014  3.05988      0.998232 2.9993       1.35767  3.13116      1.47277  1.19321  0.4362    1.17695  0.449134  
1 1 1 64 32 9  f 0.906215 0.360509  1.35794      0.977004 1.5035       1.33257  1.18875      1.43669  0.907099 0.394319  0.857969 0.388891  
1 1 1 64 32 10 o 0.528066 0.260729  -1.24337     1.00654  -2.42158     1.45001  -0.147668    1.39832  0.561071 0.28271   0.700291 0.337319  
1 1 1 64 32 11 o 0.686843 0.312639  0.405102     0.947035 -1.23272     1.25474  2.57328      1.44367  0.576004 0.285904  1.01876  0.425207  
1 1 1 64 32 12 o 0.70223  0.318312  0.656582     0.962622 0.339684     1.33585  0.998897     1.38838  0.68509  0.329924  0.751424 0.353772  
1 1 1 64 33 0  o 1.80834  0.553124  5.53732      1.74407  5.53732      1.74407  5.53732      1.74407  2.12765  0.308981  ?        ?         
1 1 1 64 33 1  o 1.9094   0.298549  4.90607      1.1401   5.66399      1.74996  4.34712      1.5028   1.63949  0.493519  1.47744  0.459922  
1 1 1 64 33 2  o 0.770252 0.35056   0.60723      1.18987  0.541377     1.57472  0.69486      1.81654  0.793393 0.374476  0.821479 0.392942  
1 1 1 64 33 3  o 0.643054 0.309907  -0.452473    1.18399  -0.64134     1.57517  -0.207174    1.79514  0.692815 0.339031  0.747933 0.365093  
1 1 1 64 33 4  o 0.832787 0.361215  1.06491      1.11356  1.7487       1.50856  0.246252     1.65065  0.926434 0.410258  0.765231 0.368083  
1 1 1 64 33 5  o 1.14496  0.392222  2.37877      1.08238  1.62088      1.4738   3.26619      1.59478  0.909201 0.403699  1.16159  0.461068  
1 1 1 64 33 6  o 0.802369 0.350597  0.884392     1.06439  1.60385      1.42491  -0.0238458   1.60098  0.915291 0.402745  0.74076  0.357797  
1 1 1 64 33 7  o 1.31045  0.377794  2.83224      1.0446   2.7055       1.46568  2.96307      1.48918  1.10305  0.440696  1.14746  0.448374  
1 1 1 64 33 8  o 1.54982  0.355994  3.71638      1.08086  3.15442      1.61094  4.17649      1.45766  1.11966  0.456085  1.41854  0.454623  
1 1 1 64 33 9  o 0.702956 0.319844  0.475163     0.988999 -0.5306      1.39206  1.5002       1.40534  0.649774 0.318144  0.85685  0.386699  
1 1 1 64 33 10 o 0.728775 0.329712  0.809519     1.02794  1.01166      1.47084  0.616528     1.43719  0.752702 0.358268  0.715702 0.344064  
1 1 1 64 34 0  o 0.957964 0.572972  2.80436      1.90882  2.80436      1.90882  2.80436      1.90882  1.13925  0.533393  ?        ?         
1 1 1 64 34 1  o 1.26912  0.406047  2.90835      1.16316  2.5724       1.63343  3.25395      1.65675  1.04157  0.444244  1.15129  0.464972  
1 1 1 64 34 2  o 0.8246   0.362239  0.981757     1.1488   0.451939     1.61183  1.52877      1.63778  0.78569  0.374461  0.8996   0.409926  
1 1 1 64 34 3  o 0.745681 0.342256  0.461035     1.16965  -1.28296     1.88145  1.55966      1.49329  0.694378 0.345403  0.906615 0.404241  
1 1 1 64 34 4  o 1.1231   0.409377  2.46161      1.19508  1.57376      1.9539   2.99229      1.51058  0.886349 0.417992  1.13453  0.449235  
1 1 1 64 34 5  o 0.836881 0.3655    1.13883      1.15564  -0.190963    1.67948  2.33464      1.59262  0.725179 0.353832  0.987323 0.430158  
1 1 1 64 34 6  o 0.778999 0.351307  0.855439     1.15776  -0.437001    1.68466  2.01218      1.59376  0.69841  0.344013  0.921311 0.414013  
1 1 1 64 34 7  o 0.687696 0.326188  0.268597     1.20982  2.19197      1.8138   -1.27296     1.62382  0.880304 0.412237  0.623874 0.311793  
1 1 1 64 34 8  o 0.795734 0.361642  1.29655      1.25643  0.124783     1.81982  2.36384      1.73681  0.698898 0.3464    0.870049 0.406166  
1 1 1 64 35 0  o 0.691249 0.464015  1.17343      1.74498  1.17343      1.74498  1.17343      1.74498  0.696172 0.436907  ?        ?         
1 1 1 64 35 1  o 0.908588 0.381714  1.68095      1.17569  2.65392      1.76953  0.911984     1.57311  0.960176 0.433594  0.784863 0.372123  
1 1 1 64 35 2  f 0.751255 0.346609  0.744229     1.21803  -1.14565     2.00321  1.85278      1.53422  0.677214 0.339675  0.881798 0.400456  
1 1 1 64 35 3  o 0.736592 0.33964   0.715685     1.16726  0.684733     1.75491  0.740244     1.56319  0.753345 0.366366  0.751813 0.360792  
1 1 1 64 35 4  o 2.14344  0.283965  6.51413      1.21732  6.89001      1.74752  6.15979      1.69671  1.68075  0.489973  1.55251  0.489775  
1 1 1 64 35 5  o 0.528537 0.262255  -1.07113     1.05123  -1.57398     1.49903  -0.58452     1.47461  0.577013 0.290343  0.628969 0.311759  
1 1 1 65 0  0  o 5.97307  0.154383  35.9021      1.8415   35.9021      1.8415   35.9021      1.8415   5.98244  0.108911  ?        ?         
1 1 1 65 0  1  o 6.28261  0.111505  39.597       1.40009  39.597       1.40009  39.597       1.40009  6.2876   0.0787552 ?        ?         
1 1 1 65 0  2  o 1.68754  0.249388  3.05573      0.786902 3.05573      0.786902 3.05573      0.786902 1.72064  0.165187  ?        ?         
1 1 1 65 0  3  f 1.6324   0.244413  2.8616       0.744249 2.8616       0.744249 2.8616       0.744249 1.66479  0.16155   ?        ?         
1 1 1 65 0  4  o 0.944445 0.38939   1.27557      0.725311 1.27557      0.725311 1.27557      0.725311 1.01994  0.290478  ?        ?         
1 1 1 65 0  5  o 6.77199  0.117229  46.0137      1.58668  46.0137      1.58668  46.0137      1.58668  6.77763  0.0827965 ?        ?         
1 1 1 65 0  6  o 10.5411  0.138888  111.559      2.92692  111.559      2.92692  111.559      2.92692  10.5516  0.098092  ?        ?         
1 1 1 65 0  7  o 1.46983  0.266471  2.38482      0.706276 2.38482      0.706276 2.38482      0.706276 1.51247  0.16999   ?        ?         
1 1 1 65 0  8  o 1.17577  0.364303  1.754        0.748105 1.754        0.748105 1.754        0.748105 1.2594   0.23413   ?        ?         
1 1 1 65 0  9  o 2.33689  0.168329  5.57567      0.777354 5.57567      0.777354 5.57567      0.777354 2.34928  0.117661  ?        ?         
1 1 1 65 0  10 o 0.407133 0.281298  -0.44319     0.725866 -0.44319     0.725866 -0.44319     0.725866 0.321847 0.225402  ?        ?         
1 1 1 65 0  11 o 5.64957  0.113582  32.0493      1.28221  32.0493      1.28221  32.0493      1.28221  5.6554   0.0801952 ?        ?         
1 1 1 65 0  12 o 4.00911  0.14404   16.2179      1.15156  16.2179      1.15156  16.2179      1.15156  4.0182   0.10147   ?        ?         
1 1 1 65 0  13 o 1.66115  0.271116  3.0152       0.828326 3.0152       0.828326 3.0152       0.828326 1.70327  0.176261  ?        ?         
1 1 1 65 0  14 o 1.3482   0.362348  2.21696      0.84259  2.21696      0.84259  2.21696      0.84259  1.43015  0.22496   ?        ?         
1 1 1 65 0  15 o 0.4851   0.324792  -0.196478    0.84438  -0.196478    0.84438  -0.196478    0.84438  0.398785 0.26883   ?        ?         
1 1 1 65 0  16 o 0.36361  0.2626    -1.25179     0.865075 -1.25179     0.865075 -1.25179     0.865075 0.274039 0.201203  ?        ?         
1 1 1 65 0  17 o 3.37274  0.15356   11.5331      1.03095  11.5331      1.03095  11.5331      1.03095  3.38444  0.107946  ?        ?         
1 1 1 65 0  18 o 2.55415  0.199192  6.73351      1.0033   6.73351      1.0033   6.73351      1.0033   2.57495  0.138677  ?        ?         
1 1 1 65 0  19 o 4.40267  0.158558  19.6422      1.39205  19.6422      1.39205  19.6422      1.39205  4.41736  0.111576  ?        ?         
1 1 1 65 0  20 o 1.70105  0.360029  3.3677       1.07688  3.3677       1.07688  3.3677       1.07688  1.77908  0.221769  ?        ?         
1 1 1 65 0  21 o 0.638222 0.400414  0.37044      1.03538  0.37044      1.03538  0.37044      1.03538  0.571879 0.348277  ?        ?         
1 1 1 65 0  22 o 1.0282   0.488417  1.71947      1.13513  1.71947      1.13513  1.71947      1.13513  1.11524  0.396083  ?        ?         
1 1 1 65 0  23 o 0.380182 0.276504  -1.75256     1.05939  -1.75256     1.05939  -1.75256     1.05939  0.286096 0.211644  ?        ?         
1 1 1 65 0  24 o 0.837622 0.466346  1.17427      1.14239  1.17427      1.14239  1.17427      1.14239  0.851787 0.411199  ?        ?         
1 1 1 65 0  25 o 0.586449 0.381177  0.181001     1.03886  0.181001     1.03886  0.181001     1.03886  0.514065 0.329058  ?        ?         
1 1 1 65 0  26 o 0.440649 0.311762  -0.858934    1.03794  -0.858934    1.03794  -0.858934    1.03794  0.348196 0.249794  ?        ?         
1 1 1 65 0  27 o 1.02153  0.487052  1.84256      1.12984  1.84256      1.12984  1.84256      1.12984  1.14129  0.390494  ?        ?         
1 1 1 65 0  28 o 0.525265 0.360964  -0.287754    1.16763  -0.287754    1.16763  -0.287754    1.16763  0.441355 0.303364  ?        ?         
1 1 1 65 0  29 o 0.860915 0.480868  1.52543      1.22001  1.52543      1.22001  1.52543      1.22001  0.934624 0.427024  ?        ?         
1 1 1 65 0  30 o 0.648206 0.425732  0.597548     1.33625  0.597548     1.33625  0.597548     1.33625  0.611463 0.383189  ?        ?         
1 1 1 65 0  31 o 0.852148 0.502865  1.8908       1.43784  1.8908       1.43784  1.8908       1.43784  0.96459  0.46179   ?        ?         
1 1 1 65 0  32 o 0.501391 0.35723   -0.554042    1.43075  -0.554042    1.43075  -0.554042    1.43075  0.428062 0.303974  ?        ?         
1 1 1 65 1  0  o 0.790333 0.417135  0.943169     0.869794 0.943169     0.869794 0.943169     0.869794 0.798625 0.360752  ?        ?         
1 1 1 65 1  1  o 6.53514  0.0806946 42.8077      1.0547   42.371       1.52382  43.2093      1.46129  6.49315  0.11734   6.55867  0.111401  
1 1 1 65 1  2  f 2.06042  0.138514  4.27448      0.570791 4.66397      0.810344 3.89094      0.804131 2.14584  0.188818  1.95768  0.205379  
1 1 1 65 1  3  o 2.29736  0.12019   5.3051       0.55224  4.39129      0.771137 6.26713      0.79122  2.08269  0.18513   2.49211  0.158745  
1 1 1 65 1  4  o 1.88499  0.137468  3.5774       0.518251 2.74018      0.72758  4.43964      0.738373 1.64072  0.221725  2.09523  0.176203  
1 1 1 65 1  5  o 8.36295  0.0826773 70.1158      1.38285  71.8924      1.92981  68.2407      1.98255  8.45846  0.114076  8.23861  0.120321  
1 1 1 65 1  6  f 2.34788  0.121665  5.54372      0.571312 6.59707      0.834615 4.61498      0.7837   2.55545  0.163301  2.13451  0.183578  
1 1 1 65 1  7  o 2.08423  0.131189  4.37357      0.546858 4.19407      0.799306 4.53152      0.749812 2.03247  0.196634  2.11565  0.177206  
1 1 1 65 1  8  o 2.88374  0.0988264 8.34836      0.569979 7.84465      0.845265 8.76839      0.771869 2.788    0.15159   2.95103  0.13078   
1 1 1 65 1  9  o 1.58605  0.167555  2.54406      0.531499 2.25007      0.768319 2.81385      0.736026 1.45594  0.273917  1.66087  0.221578  
1 1 1 65 1  10 o 3.84393  0.0853081 14.8242      0.655837 13.8425      0.901593 15.9275      0.955763 3.70821  0.121567  3.97799  0.120131  
1 1 1 65 1  11 o 3.45983  0.0959063 12.0253      0.663639 11.0308      0.929118 13.0611      0.948229 3.30514  0.140556  3.59859  0.13175   
1 1 1 65 1  12 o 3.09657  0.104439  9.64187      0.646805 9.49101      0.873089 9.82537      0.962938 3.06499  0.142429  3.1157   0.15453   
1 1 1 65 1  13 o 2.83843  0.113175  8.11285      0.642477 8.0609       0.900042 8.16681      0.917406 2.81963  0.159603  2.83759  0.161652  
1 1 1 65 1  14 o 3.21529  0.106069  10.4053      0.682088 10.6889      0.962561 10.1191      0.966689 3.24881  0.14814   3.15972  0.152971  
1 1 1 65 1  15 o 3.23371  0.106168  10.5278      0.686631 10.473       0.984937 10.5796      0.95772  3.21348  0.153251  3.23128  0.148195  
1 1 1 65 1  16 o 4.4814   0.0934932 20.1948      0.83796  21.0843      1.2098   19.3745      1.16177  4.56608  0.132476  4.37694  0.132715  
1 1 1 65 1  17 o 2.10651  0.156589  4.51286      0.65971  4.29857      0.938134 4.72249      0.927892 2.03618  0.230367  2.13851  0.216948  
1 1 1 65 1  18 o 1.77353  0.194371  3.23448      0.689445 3.83702      0.991999 2.67148      0.958889 1.91128  0.259512  1.55222  0.319814  
1 1 1 65 1  19 o 2.47284  0.150741  6.22136      0.745515 6.81645      1.05444  5.62654      1.0542   2.56968  0.205169  2.32668  0.226546  
1 1 1 65 1  20 o 1.17842  0.303564  1.55311      0.719676 1.69266      1.02621  1.41806      1.00955  1.21709  0.380297  1.13185  0.378795  
1 1 1 65 1  21 o 2.1565   0.181577  4.79035      0.783139 4.97997      1.10016  4.59556      1.11504  2.16877  0.253638  2.07645  0.268496  
1 1 1 65 1  22 o 2.39854  0.169931  5.93337      0.815174 5.34354      1.17803  6.4753       1.12918  2.22858  0.264299  2.47567  0.228056  
1 1 1 65 1  23 o 1.38799  0.283604  2.17426      0.760069 2.16872      1.08596  2.17959      1.06417  1.33209  0.38558   1.33797  0.379905  
1 1 1 65 1  24 o 1.47933  0.281447  2.47501      0.802692 1.99635      1.08646  3.05031      1.1911   1.26769  0.390341  1.57397  0.38175   
1 1 1 65 1  25 o 0.839972 0.322009  0.689439     0.759879 0.654116     1.05683  0.727247     1.09336  0.89142  0.367301  0.914071 0.374601  
1 1 1 65 1  26 o 1.21789  0.304137  1.7919       0.739375 2.18433      1.04315  1.39571      1.04813  1.2896   0.379401  1.05331  0.383438  
1 1 1 65 1  27 o 0.823227 0.322687  0.687264     0.77255  1.62392      1.1091   -0.195508    1.07672  1.10105  0.395058  0.722647 0.330299  
1 1 1 65 1  28 o 1.02147  0.36002   1.43171      0.917427 0.862275     1.24436  2.10985      1.35794  0.898699 0.385663  1.15275  0.433687  
1 1 1 65 1  29 o 2.09172  0.234246  5.04708      0.979957 6.93237      1.43887  3.41607      1.33832  2.34378  0.306955  1.46242  0.429579  
1 1 1 65 1  30 o 0.582023 0.280035  -0.622104    0.957033 -0.272328    1.33763  -0.988935    1.36985  0.702894 0.336452  0.647279 0.316611  
1 1 1 65 1  31 f 0.815513 0.346512  0.965361     0.987143 1.52462      1.43075  0.457282     1.36372  0.902804 0.399698  0.762953 0.357312  
1 1 1 65 1  32 o 1.21294  0.387659  2.90885      1.06041  2.96802      1.53968  2.85546      1.46257  0.990376 0.427083  0.995868 0.422406  
1 1 1 65 2  0  o 6.55707  0.107479  43.1205      1.40864  43.1205      1.40864  43.1205      1.40864  6.56182  0.0759208 ?        ?         
1 1 1 65 2  1  o 3.54742  0.0989436 12.6294      0.70199  12.4344      0.971115 12.8428      1.01593  3.51386  0.138183  3.57035  0.142273  
1 1 1 65 2  2  o 8.05167  0.0819038 64.9902      1.31892  66.0492      1.85872  63.9162      1.87183  8.10725  0.114633  7.97433  0.117366  
1 1 1 65 2  3  f 4.83576  0.0768986 23.4365      0.743727 22.9839      1.06017  23.875       1.0436   4.78309  0.110825  4.87568  0.107021  
1 1 1 65 2  4  o 3.05323  0.0951011 9.35452      0.580732 8.47613      0.810065 10.2833      0.832972 2.90054  0.13964   3.19635  0.1303    
1 1 1 65 2  5  o 3.36547  0.0902744 11.3627      0.607632 11.0144      0.851264 11.7245      0.867611 3.30805  0.128666  3.41328  0.127094  
1 1 1 65 2  6  o 2.83171  0.101924  8.05165      0.577235 7.45841      0.825209 8.62004      0.807739 2.71856  0.151773  2.9249   0.13808   
1 1 1 65 2  7  o 5.10249  0.0778455 26.0987      0.794412 26.1999      1.17214  26.0126      1.0804   5.10501  0.114803  5.08869  0.106157  
1 1 1 65 2  8  o 2.83185  0.103044  8.05446      0.583611 8.27279      0.84968  7.85945      0.802999 2.86315  0.148382  2.79147  0.143831  
1 1 1 65 2  9  o 3.31451  0.0940791 11.0303      0.623652 10.5225      0.865377 11.579       0.899572 3.23065  0.133932  3.38921  0.132711  
1 1 1 65 2  10 o 0.642276 0.259948  0.198548     0.519364 0.268586     0.739154 0.13025      0.729916 0.757276 0.308782  0.718087 0.30118   
1 1 1 65 2  11 o 2.19216  0.13625   4.85081      0.597366 5.25562      0.847873 4.45182      0.841765 2.27256  0.186546  2.08855  0.201519  
1 1 1 65 2  12 o 2.27879  0.130756  5.24057      0.59593  5.05393      0.804688 5.46726      0.886831 2.22861  0.180536  2.31545  0.191503  
1 1 1 65 2  13 o 2.06915  0.147004  4.3344       0.608347 3.90463      0.831066 4.83053      0.892924 1.95072  0.213016  2.1716   0.205591  
1 1 1 65 2  14 o 1.16103  0.264376  1.45575      0.600344 1.68944      0.84946  1.22254      0.848568 1.23749  0.335019  1.07367  0.347149  
1 1 1 65 2  15 o 3.38028  0.105287  11.5052      0.711801 11.6811      1.02386  11.3407      0.990258 3.39351  0.150856  3.34457  0.148039  
1 1 1 65 2  16 o 2.82773  0.120829  8.07413      0.683343 7.98239      0.984837 8.15931      0.948947 2.79642  0.176089  2.82993  0.167663  
1 1 1 65 2  17 o 1.08193  0.291946  1.28754      0.646386 0.111415     0.91272  2.47095      0.915542 0.776388 0.331638  1.49313  0.316254  
1 1 1 65 2  18 o 3.27582  0.117994  10.8444      0.773054 11.2626      1.10421  10.4423      1.08263  3.32129  0.166232  3.19683  0.169329  
1 1 1 65 2  19 o 1.66332  0.209991  2.86416      0.698562 4.38159      1.02811  1.56281      0.952095 2.04214  0.251723  1.17908  0.365885  
1 1 1 65 2  20 o 2.15606  0.175874  4.77513      0.758392 5.38564      1.06502  4.1471       1.0802   2.26629  0.234971  1.9724   0.273828  
1 1 1 65 2  21 o 0.937895 0.33311   0.906592     0.786756 1.20966      1.15063  0.640484     1.07818  1.07741  0.400418  0.927327 0.374859  
1 1 1 65 2  22 o 2.51825  0.162234  6.53465      0.817089 7.42997      1.18023  5.71052      1.13234  2.65074  0.222622  2.31065  0.245026  
1 1 1 65 2  23 o 0.788911 0.312393  0.495964     0.73049  0.546563     1.02167  0.443042     1.04485  0.877505 0.361282  0.860858 0.36067   
1 1 1 65 2  24 o 1.66388  0.238952  2.99217      0.795174 3.84143      1.09343  2.03888      1.15847  1.84893  0.295695  1.26636  0.405234  
1 1 1 65 2  25 o 0.527256 0.252831  -0.861574    0.763901 -0.875916    1.0353   -0.844436    1.13177  0.632651 0.300867  0.669102 0.31648   
1 1 1 65 2  26 o 0.785986 0.316382  0.543368     0.763466 1.2768       1.06661  -0.227223    1.09329  1.01893  0.384144  0.727925 0.332761  
1 1 1 65 2  27 o 1.03169  0.339895  1.37534      0.812845 0.74136      1.09358  2.158        1.21506  0.876684 0.368219  1.21558  0.415567  
1 1 1 65 2  28 o 1.08834  0.361168  1.67997      0.917776 1.17125      1.30155  2.18307      1.29434  0.947161 0.399945  1.16338  0.425845  
1 1 1 65 2  29 o 1.47553  0.343409  2.98629      0.995328 2.44162      1.41149  3.525        1.40375  1.17513  0.442146  1.44821  0.443239  
1 1 1 65 2  30 o 0.78737  0.341768  0.779304     0.998278 0.553712     1.3547   1.04737      1.47674  0.783032 0.362894  0.850176 0.3879    
1 1 1 65 2  31 o 1.1916   0.381591  2.45479      1.0271   2.80507      1.52342  2.16288      1.39071  1.09393  0.444219  1.00588  0.418423  
1 1 1 65 3  0  o 5.33259  0.10605   28.5324      1.13004  28.5324      1.13004  28.5324      1.13004  5.33708  0.0748923 ?        ?         
1 1 1 65 3  1  o 6.37793  0.0747037 40.7666      0.95291  41.2794      1.37145  40.2881      1.32498  6.41059  0.106968  6.33377  0.104597  
1 1 1 65 3  2  o 1.59115  0.173747  2.56185      0.552914 2.19691      0.806775 2.88506      0.759263 1.43441  0.291361  1.68176  0.225735  
1 1 1 65 3  3  o 6.44443  0.0781988 41.6311      1.00789  41.3711      1.43629  41.8834      1.41471  6.41614  0.111928  6.4564   0.109559  
1 1 1 65 3  4  o 1.45715  0.179286  2.15042      0.522494 2.77172      0.732179 1.50572      0.745846 1.6487   0.222047  1.18286  0.311099  
1 1 1 65 3  5  o 3.45198  0.087659  11.9528      0.605194 11.3221      0.863688 12.5612      0.848269 3.35365  0.128768  3.53394  0.120018  
1 1 1 65 3  6  o 6.07574  0.0768415 37.0024      0.933738 36.3625      1.31391  37.6553      1.3272   6.01553  0.10921   6.12175  0.1084    
1 1 1 65 3  7  o 2.48265  0.11633   6.19927      0.577614 6.28468      0.84949  6.12583      0.78774  2.49137  0.170487  2.4615   0.160012  
1 1 1 65 3  8  o 6.30412  0.077028  39.8525      0.971188 39.5384      1.37636  40.164       1.37059  6.27031  0.109752  6.32015  0.10843   
1 1 1 65 3  9  o 1.408    0.19397   2.01972      0.546222 2.34697      0.760159 1.67037      0.78541  1.48562  0.265408  1.23865  0.315975  
1 1 1 65 3  10 o 4.61665  0.0816399 21.3855      0.753805 21.5136      1.07912  21.2634      1.05343  4.62233  0.116729  4.59595  0.114604  
1 1 1 65 3  11 o 1.11589  0.247155  1.33365      0.536965 1.47553      0.750593 1.18492      0.768491 1.16398  0.314831  1.05585  0.328934  
1 1 1 65 3  12 o 1.04675  0.270439  1.18368      0.570039 1.48385      0.773192 0.826247     0.843735 1.16487  0.321535  0.946428 0.344074  
1 1 1 65 3  13 o 3.34065  0.103639  11.2305      0.692444 12.3469      0.969996 10.0704      0.988803 3.49404  0.138807  3.15061  0.156922  
1 1 1 65 3  14 o 1.8974   0.163259  3.65917      0.619536 4.41583      0.877352 2.90663      0.874964 2.07277  0.211638  1.66968  0.262016  
1 1 1 65 3  15 o 3.22933  0.110409  10.5117      0.713093 10.7807      0.991575 10.2236      1.02625  3.2587   0.152143  3.17024  0.161857  
1 1 1 65 3  16 o 2.59607  0.129665  6.82064      0.673238 7.9204       0.98251  5.84722      0.924354 2.78355  0.176485  2.38637  0.193674  
1 1 1 65 3  17 o 0.911434 0.303304  0.86158      0.647251 0.684091     0.932111 1.02685      0.899464 0.916848 0.355455  1.00747  0.356338  
1 1 1 65 3  18 o 2.54746  0.144141  6.59317      0.734385 7.38507      1.05916  5.85997      1.01915  2.67755  0.197785  2.37911  0.214188  
1 1 1 65 3  19 o 2.56855  0.147093  6.72203      0.755632 6.8394       1.10178  6.61779      1.03829  2.56429  0.214832  2.52656  0.205475  
1 1 1 65 3  20 o 1.16683  0.31607   1.53775      0.755818 1.43502      1.08275  1.63538      1.05555  1.1373   0.392045  1.19498  0.387259  
1 1 1 65 3  21 o 0.846807 0.323183  0.642477     0.762635 1.37754      1.07973  -0.0893352   1.07733  1.10693  0.390526  0.780024 0.345898  
1 1 1 65 3  22 o 1.62295  0.237855  2.81561      0.772054 2.46904      1.09741  3.15524      1.08637  1.42537  0.378506  1.64159  0.342136  
1 1 1 65 3  23 o 2.55406  0.151126  6.71874      0.771971 6.21255      1.06306  7.28348      1.12285  2.41667  0.219943  2.62072  0.214227  
1 1 1 65 3  24 f 1.37371  0.287237  2.18071      0.763583 2.65424      1.0802   1.70775      1.07954  1.45897  0.369596  1.16559  0.391706  
1 1 1 65 3  25 o 2.83287  0.156998  8.38016      0.889512 9.21054      1.16359  7.21258      1.37977  2.93279  0.198377  2.52108  0.273648  
1 1 1 65 3  26 o 1.57612  0.254466  2.7959       0.80214  3.84312      1.12082  1.69636      1.14848  1.76982  0.32895   1.12284  0.402096  
1 1 1 65 3  27 o 0.670437 0.301626  -0.00581534  0.848382 1.63661      1.14202  -2.02846     1.26733  1.07     0.398668  0.5849   0.289697  
1 1 1 65 3  28 f 0.843913 0.340348  0.840487     0.885903 0.716604     1.21018  0.98353      1.30039  0.854697 0.373646  0.907834 0.392004  
1 1 1 65 3  29 o 2.03743  0.238318  4.93931      0.971108 5.60084      1.3402   4.20802      1.4091   2.02935  0.330205  1.57838  0.43336   
1 1 1 65 3  30 o 2.59792  0.21014   7.9557       1.09185  7.18693      1.52994  8.75363      1.55869  2.19623  0.348311  2.51008  0.310486  
1 1 1 65 3  31 o 1.36332  0.38115   3.21131      1.07929  1.72745      1.6729   4.2693       1.41259  0.876826 0.405176  1.43125  0.445977  
1 1 1 65 4  0  o 5.28494  0.107303  28.0293      1.13312  28.0293      1.13312  28.0293      1.13312  5.28959  0.0757724 ?        ?         
1 1 1 65 4  1  o 2.17688  0.130188  4.77091      0.566809 4.43024      0.811175 5.09594      0.792335 2.08904  0.19415   2.24339  0.176593  
1 1 1 65 4  2  o 2.18076  0.128788  4.7873       0.561712 4.71015      0.794289 4.86448      0.794471 2.15558  0.18424   2.19108  0.181297  
1 1 1 65 4  3  o 2.00814  0.138338  4.06364      0.555606 4.13171      0.768646 3.98917      0.804039 2.01787  0.19046   1.98081  0.202957  
1 1 1 65 4  4  o 2.43525  0.112535  5.96075      0.5481   5.40927      0.766311 6.53836      0.78426  2.31285  0.165664  2.54471  0.154096  
1 1 1 65 4  5  o 1.66489  0.154336  2.79981      0.513903 3.27978      0.738725 2.3497       0.715376 1.79487  0.205788  1.51495  0.236105  
1 1 1 65 4  6  o 0.832502 0.271312  0.696586     0.517912 0.733333     0.735397 0.660424     0.729516 0.896916 0.321702  0.871503 0.319634  
1 1 1 65 4  7  o 3.35352  0.093143  11.294       0.624714 12.1866      0.954075 10.6241      0.826543 3.475    0.137277  3.24666  0.127291  
1 1 1 65 4  8  o 2.89492  0.10354   8.42561      0.599478 6.94615      0.813958 10.1794      0.886225 2.61982  0.155346  3.17512  0.139558  
1 1 1 65 4  9  o 2.38143  0.124822  5.71613      0.59451  5.77276      0.820343 5.65349      0.86279  2.38477  0.171996  2.3577   0.182973  
1 1 1 65 4  10 o 2.24225  0.134639  5.07659      0.603789 4.71448      0.827455 5.48897      0.883025 2.14996  0.192435  2.32035  0.190278  
1 1 1 65 4  11 o 1.87545  0.160614  3.56903      0.602446 3.88729      0.855411 3.25581      0.848603 1.94488  0.219914  1.77559  0.238963  
1 1 1 65 4  12 o 1.64917  0.183751  2.77363      0.606072 2.73273      0.822896 2.82211      0.895994 1.62274  0.253551  1.64445  0.272429  
1 1 1 65 4  13 o 0.557626 0.24997   -0.225846    0.577839 -0.790229    0.789179 0.426431     0.848407 0.568804 0.267481  0.832979 0.334255  
1 1 1 65 4  14 f 2.00328  0.149233  4.07068      0.59791  5.05259      0.844261 3.08265      0.846891 2.22193  0.189984  1.7223   0.24586   
1 1 1 65 4  15 o 1.25732  0.258456  1.70827      0.627629 2.1001       0.878481 1.29972      0.897012 1.37456  0.324389  1.09758  0.357059  
1 1 1 65 4  16 o 0.978622 0.299056  1.03526      0.63936  0.409728     0.907044 1.65298      0.901366 0.841107 0.342361  1.21337  0.351306  
1 1 1 65 4  17 o 3.06671  0.122859  9.51296      0.753544 8.594        1.04833  10.4954      1.08391  2.89555  0.181024  3.20485  0.169104  
1 1 1 65 4  18 o 0.851009 0.310102  0.678641     0.685691 1.52396      1.00264  -0.0640788   0.939829 1.167    0.377354  0.748458 0.328222  
1 1 1 65 4  19 o 2.2416   0.166047  5.14693      0.744421 6.69386      1.09623  3.82313      1.0141   2.53546  0.21618   1.89634  0.267384  
1 1 1 65 4  20 o 2.21894  0.176996  5.08042      0.785488 4.56282      1.1215   5.57881      1.1005   2.0605   0.272142  2.29639  0.239614  
1 1 1 65 4  21 o 0.680282 0.294608  0.0436516    0.738578 -0.303787    1.03962  0.397695     1.04946  0.729012 0.330608  0.858101 0.360578  
1 1 1 65 4  22 o 1.41928  0.275004  2.26026      0.752757 2.64201      1.06748  1.88265      1.06166  1.482    0.362619  1.24163  0.386579  
1 1 1 65 4  23 o 0.703761 0.299288  0.180909     0.737545 -0.651207    1.05252  0.983733     1.03383  0.674841 0.315483  0.973453 0.374977  
1 1 1 65 4  24 o 1.23838  0.310401  1.83311      0.767995 2.05059      1.06809  1.6003       1.10507  1.25953  0.386865  1.12383  0.395225  
1 1 1 65 4  25 o 1.0091   0.337665  1.25346      0.80221  1.49035      1.06886  0.947902     1.21393  1.07693  0.387684  0.95742  0.393934  
1 1 1 65 4  26 o 1.37408  0.31693   2.34596      0.853817 2.58985      1.10332  1.98185      1.34809  1.37761  0.385443  1.16559  0.433372  
1 1 1 65 4  27 o 0.958315 0.348724  1.22407      0.866869 1.55335      1.22335  0.891979     1.22854  1.03067  0.405485  0.897767 0.384164  
1 1 1 65 4  28 o 1.88569  0.249525  4.18432      0.941052 5.13773      1.32405  3.21107      1.33775  1.94451  0.353513  1.39965  0.433576  
1 1 1 65 4  29 o 0.55493  0.269126  -0.808712    0.935551 -0.492603    1.30365  -1.14438     1.34338  0.673467 0.324717  0.628465 0.309166  
1 1 1 65 4  30 o 0.75259  0.33461   0.614431     1.01665  -0.481578    1.45709  1.65413      1.41917  0.68755  0.334201  0.9247   0.404434  
1 1 1 65 4  31 o 0.604117 0.294149  -0.347255    1.13873  0.0788768    1.78884  -0.637582    1.47653  0.694754 0.344125  0.62585  0.310577  
1 1 1 65 5  0  o 2.12989  0.212469  4.7113       0.88441  4.7113       0.88441  4.7113       0.88441  2.15086  0.146952  ?        ?         
1 1 1 65 5  1  o 4.25806  0.0828571 18.1834      0.70562  18.2895      0.96685  18.0624      1.03214  4.26502  0.113346  4.23668  0.12181   
1 1 1 65 5  2  o 5.16615  0.0777728 26.7582      0.803572 27.2834      1.13022  26.2213      1.14272  5.21016  0.108463  5.10692  0.11188   
1 1 1 65 5  3  o 7.67687  0.0778488 59.0917      1.19527  61.1156      1.76578  57.3801      1.62386  7.79555  0.113255  7.55569  0.107459  
1 1 1 65 5  4  o 2.46164  0.11203   6.09466      0.551555 6.75394      0.794554 5.48152      0.766248 2.58483  0.153696  2.3268   0.164657  
1 1 1 65 5  5  o 4.4787   0.0778263 20.1179      0.697121 20.3023      0.992635 19.9385      0.979257 4.49256  0.110475  4.45224  0.109973  
1 1 1 65 5  6  o 3.21015  0.094848  10.3513      0.608952 8.94707      0.848777 11.8408      0.874161 2.97618  0.142595  3.42725  0.127531  
1 1 1 65 5  7  o 2.01213  0.139949  4.0887       0.563194 4.75509      0.800919 3.4369       0.792107 2.16201  0.185225  1.83245  0.216133  
1 1 1 65 5  8  o 0.817937 0.275671  0.658053     0.534687 0.224553     0.744016 1.12106      0.768923 0.747242 0.308089  1.03406  0.330069  
1 1 1 65 5  9  o 1.21052  0.255344  1.57069      0.598931 0.699741     0.881955 2.3161       0.815926 0.920123 0.3486    1.46649  0.288468  
1 1 1 65 5  10 f 0.890441 0.297494  0.799317     0.622694 -0.674822    0.933725 1.98006      0.835657 0.653284 0.302194  1.34413  0.315854  
1 1 1 65 5  11 o 4.29599  0.091326  18.5458      0.784672 18.4305      1.1391   18.65        1.08245  4.27083  0.133359  4.2986   0.125907  
1 1 1 65 5  12 o 1.67666  0.19502   2.87619      0.653963 3.78912      0.988698 2.16612      0.871952 1.90777  0.259124  1.40373  0.317914  
1 1 1 65 5  13 o 2.45216  0.135595  6.08362      0.665    5.6948       0.970486 6.42777      0.913045 2.35442  0.206099  2.50872  0.181974  
1 1 1 65 5  14 f 1.47643  0.209037  2.24476      0.617256 2.80276      0.86798  1.67385      0.877968 1.63533  0.265383  1.22537  0.344155  
1 1 1 65 5  15 o 3.52567  0.104836  12.532       0.739234 12.5517      1.02849  12.511       1.06324  3.51506  0.146298  3.50734  0.151574  
1 1 1 65 5  16 o 2.81605  0.127956  8.02854      0.72066  7.83417      0.98658  8.2509       1.05521  2.76577  0.178356  2.83542  0.186077  
1 1 1 65 5  17 o 2.50682  0.147167  6.39065      0.737844 6.4233       1.04363  6.35801      1.04331  2.492    0.209396  2.47889  0.210438  
1 1 1 65 5  18 o 2.72343  0.139589  7.54371      0.760325 7.88412      1.07725  7.2058       1.07328  2.76233  0.194989  2.63705  0.203501  
1 1 1 65 5  19 o 1.7166   0.212998  3.07277      0.731266 3.74674      1.02262  2.36747      1.04612  1.87098  0.273284  1.42533  0.365301  
1 1 1 65 5  20 o 3.35457  0.124734  11.4455      0.836857 10.6329      1.15529  12.3427      1.21388  3.20396  0.18029   3.45499  0.17567   
1 1 1 65 5  21 f 1.40385  0.266245  2.19485      0.720445 2.15048      0.996231 2.2435       1.04311  1.33784  0.363088  1.3615   0.372436  
1 1 1 65 5  22 o 1.98184  0.192473  4.11861      0.762904 3.98231      1.05491  4.26806      1.10463  1.90152  0.277386  1.96626  0.280895  
1 1 1 65 5  23 o 1.731    0.229462  3.23475      0.794398 3.37125      1.13916  3.10553      1.10837  1.66584  0.352717  1.59401  0.356653  
1 1 1 65 5  24 o 1.73553  0.234515  3.30458      0.814015 2.81072      1.10663  3.88687      1.20162  1.47725  0.374007  1.77103  0.35174   
1 1 1 65 5  25 o 2.98043  0.156914  9.30343      0.935343 9.9843       1.22724  8.35981      1.44477  3.04335  0.201627  2.7127   0.266297  
1 1 1 65 5  26 o 0.939847 0.354894  1.11068      0.911572 -0.321821    1.21093  2.98414      1.38482  0.727023 0.3393    1.38573  0.443018  
1 1 1 65 5  27 o 0.720002 0.316071  0.283147     0.873393 0.722703     1.19935  -0.213132    1.27439  0.856043 0.373122  0.736456 0.344994  
1 1 1 65 5  28 o 0.69501  0.310506  0.203784     0.88496  0.905514     1.2353   -0.536066    1.2684   0.868908 0.378701  0.686288 0.328293  
1 1 1 65 5  29 o 0.695435 0.316454  0.285526     0.968672 0.214377     1.43216  0.345522     1.31513  0.749236 0.355151  0.750149 0.351239  
1 1 1 65 5  30 o 0.642672 0.30234   -0.0853186   1.01028  -0.191749    1.54106  -0.00510042  1.3379   0.712867 0.345623  0.704711 0.337121  
1 1 1 65 6  0  o 1.47518  0.321382  2.50279      0.829929 2.50279      0.829929 2.50279      0.829929 1.53834  0.198108  ?        ?         
1 1 1 65 6  1  o 1.93034  0.147598  3.7656       0.569828 3.64265      0.822802 3.87892      0.78992  1.88706  0.218011  1.9503   0.202512  
1 1 1 65 6  2  f 1.48112  0.182881  2.23003      0.541737 2.42193      0.807917 2.07327      0.730224 1.50608  0.278704  1.39321  0.271761  
1 1 1 65 6  3  o 2.27828  0.122203  5.22916      0.556826 5.62982      0.795218 4.84374      0.779946 2.3562   0.16875   2.1837   0.178583  
1 1 1 65 6  4  o 1.84003  0.146276  3.42197      0.538304 3.19921      0.751215 3.65708      0.771754 1.76887  0.212343  1.89285  0.20386   
1 1 1 65 6  5  o 0.921368 0.271657  0.896728     0.534239 1.1163       0.74772  0.66774      0.763587 1.03042  0.32514   0.880968 0.326436  
1 1 1 65 6  6  o 4.75894  0.0808441 22.7229      0.769465 22.3206      1.0608   23.1696      1.11782  4.70926  0.112629  4.79691  0.116514  
1 1 1 65 6  7  o 3.79529  0.0952033 14.4732      0.722648 13.788       1.04863  15.0929      0.99726  3.69356  0.141954  3.86797  0.128912  
1 1 1 65 6  8  o 2.81265  0.109568  7.96368      0.616355 8.23951      0.944725 7.75926      0.813283 2.84872  0.165816  2.76896  0.146857  
1 1 1 65 6  9  o 1.98002  0.148548  3.97018      0.588255 3.3233       0.924575 4.41014      0.762495 1.78888  0.258423  2.07999  0.183293  
1 1 1 65 6  10 o 2.41215  0.128485  5.87497      0.619852 5.74919      0.957612 5.96566      0.813193 2.36943  0.202076  2.42246  0.167844  
1 1 1 65 6  11 o 2.17869  0.145235  4.8076       0.632841 5.31668      0.973797 4.43541      0.832636 2.27409  0.214107  2.08069  0.200087  
1 1 1 65 6  12 o 4.55209  0.0933348 20.8363      0.849737 19.9498      1.24249  21.6152      1.1647   4.43873  0.13996   4.62576  0.125893  
1 1 1 65 6  13 o 1.47993  0.216673  2.25951      0.641323 1.94134      0.988043 2.49116      0.843052 1.31348  0.36386   1.51483  0.288641  
1 1 1 65 6  14 o 3.42669  0.10997   11.8466      0.753668 11.3947      1.11215  12.2304      1.02489  3.34189  0.166395  3.46959  0.147696  
1 1 1 65 6  15 o 2.35614  0.153868  5.65058      0.725068 6.93926      1.08354  4.6056       0.975719 2.59185  0.209028  2.10379  0.231895  
1 1 1 65 6  16 f 2.08748  0.165654  4.44949      0.691599 4.90298      1.00441  4.04064      0.953695 2.16999  0.231432  1.96612  0.242533  
1 1 1 65 6  17 o 1.91475  0.180706  3.76916      0.692013 3.34415      0.992799 4.17078      0.965097 1.77005  0.280444  1.99282  0.242144  
1 1 1 65 6  18 o 1.20258  0.289601  1.61041      0.689248 1.15497      0.946825 2.12383      1.00529  1.04376  0.365953  1.35483  0.36341   
1 1 1 65 6  19 o 0.503484 0.242174  -0.947331    0.714396 -1.03582     0.997882 -0.854289    1.02321  0.618756 0.294791  0.650419 0.305485  
1 1 1 65 6  20 o 0.864203 0.316018  0.743948     0.712646 0.574846     1.00192  0.917106     1.01386  0.883386 0.359736  0.968546 0.371761  
1 1 1 65 6  21 o 2.07074  0.179083  4.46061      0.741667 5.12769      1.0251   3.72784      1.07439  2.1902   0.23402   1.83427  0.292866  
1 1 1 65 6  22 o 1.00349  0.32474   1.16741      0.742433 0.443254     1.00883  2.02299      1.09656  0.843523 0.353948  1.26817  0.392489  
1 1 1 65 6  23 o 1.62413  0.246722  2.89709      0.801416 2.87501      1.09063  2.92301      1.18157  1.51563  0.363855  1.50606  0.389474  
1 1 1 65 6  24 o 1.5838   0.260099  2.82328      0.82389  2.34934      1.11213  3.39978      1.22657  1.32507  0.392334  1.61211  0.38514   
1 1 1 65 6  25 o 0.995004 0.348125  1.24679      0.856442 1.31145      1.13007  1.15955      1.31273  1.01536  0.391852  0.993502 0.409363  
1 1 1 65 6  26 o 0.803238 0.335009  0.61875      0.89514  0.854715     1.2952   0.402977     1.23854  0.901278 0.390222  0.821506 0.367169  
1 1 1 65 6  27 o 0.505302 0.248897  -1.32494     0.880625 -1.95172     1.16222  -0.47998     1.34942  0.549842 0.273225  0.72024  0.342981  
1 1 1 65 6  28 o 0.686345 0.311348  0.212613     0.922676 1.65081      1.34024  -1.08316     1.27215  0.96329  0.406256  0.621468 0.304249  
1 1 1 65 6  29 o 0.886423 0.365692  1.32388      1.04887  1.10375      1.59098  1.4931       1.39492  0.843287 0.391759  0.895871 0.395896  
1 1 1 65 6  30 f 0.846847 0.360565  1.33317      1.07273  1.15758      1.78793  1.43193      1.3409   0.801584 0.384963  0.840551 0.378623  
1 1 1 65 7  0  o 3.5903   0.129505  12.9947      0.92718  12.9947      0.92718  12.9947      0.92718  3.59759  0.0912513 ?        ?         
1 1 1 65 7  1  o 4.4098   0.0797537 19.5088      0.703396 19.4652      1.00584  19.5504      0.984023 4.39749  0.114365  4.40778  0.111623  
1 1 1 65 7  2  o 1.51141  0.180958  2.32219      0.547002 1.49163      0.802878 3.04168      0.747268 1.17169  0.329119  1.72371  0.216762  
1 1 1 65 7  3  f 3.31279  0.0969065 11.0269      0.642061 10.5089      0.909096 11.5424      0.906931 3.22552  0.140923  3.382    0.134082  
1 1 1 65 7  4  f 5.34276  0.0842953 28.6493      0.900739 29.73        1.25218  27.4903      1.29666  5.434    0.115217  5.22246  0.124142  
1 1 1 65 7  5  o 3.05731  0.103497  9.40002      0.632842 11.0606      0.909258 7.83985      0.881341 3.30924  0.137381  2.78154  0.158427  
1 1 1 65 7  6  o 4.03091  0.0923657 16.3241      0.744635 15.0655      1.10019  17.388       1.01153  3.85994  0.142514  4.15301  0.121783  
1 1 1 65 7  7  o 3.88572  0.0940932 15.1748      0.731239 15.002       1.08272  15.3198      0.991539 3.85156  0.140557  3.89607  0.127249  
1 1 1 65 7  8  o 1.25664  0.243594  1.68352      0.590368 1.40215      0.933699 1.87093      0.762028 1.14165  0.363649  1.3105   0.297477  
1 1 1 65 7  9  o 5.78549  0.0792597 33.5964      0.917112 32.3081      1.29635  34.8873      1.29764  5.66207  0.114477  5.88538  0.110242  
1 1 1 65 7  10 o 2.45592  0.125434  6.08959      0.616113 6.41241      0.879327 5.77827      0.863519 2.50865  0.175259  2.37979  0.181427  
1 1 1 65 7  11 o 2.8417   0.114443  8.14262      0.650422 7.90498      0.930495 8.36968      0.909535 2.78673  0.166951  2.86998  0.158457  
1 1 1 65 7  12 o 4.32582  0.0940201 18.8239      0.813429 18.0007      1.15851  19.6244      1.14238  4.21604  0.137394  4.4051   0.129666  
1 1 1 65 7  13 o 1.9799   0.161103  3.99404      0.637935 5.62906      0.928769 2.53375      0.877743 2.33935  0.19851   1.52103  0.299196  
1 1 1 65 7  14 o 2.70233  0.12543   7.38903      0.677904 7.32031      0.961224 7.45703      0.956197 2.67332  0.179781  2.6991   0.177133  
1 1 1 65 7  15 o 1.15769  0.293267  1.48129      0.680118 2.30034      1.04998  0.889237     0.892707 1.41876  0.367263  0.964686 0.353604  
1 1 1 65 7  16 o 1.51716  0.226636  2.39973      0.68769  2.13441      1.02457  2.61725      0.927708 1.36199  0.367579  1.53377  0.313259  
1 1 1 65 7  17 o 0.619769 0.272279  -0.0866853   0.649159 -1.00616     0.921164 0.820454     0.914966 0.594633 0.283266  0.942804 0.355688  
1 1 1 65 7  18 o 1.41657  0.259707  2.19507      0.708344 2.60493      0.998941 1.78056      1.00458  1.50604  0.33972   1.23519  0.374348  
1 1 1 65 7  19 o 1.57115  0.228533  2.61425      0.718119 3.32023      1.00531  1.87867      1.02616  1.7416   0.288615  1.25305  0.378065  
1 1 1 65 7  20 o 0.809887 0.314634  0.56567      0.731095 0.103947     0.997476 1.10164      1.07468  0.781653 0.34049   1.02184  0.385491  
1 1 1 65 7  21 o 1.10876  0.313232  1.43574      0.72521  1.57161      0.989644 1.27816      1.06579  1.1422   0.375043  1.05967  0.386565  
1 1 1 65 7  22 o 2.69771  0.154746  7.54274      0.834922 8.45405      1.15073  6.5297       1.21326  2.81985  0.204041  2.44359  0.248254  
1 1 1 65 7  23 o 1.1169   0.331197  1.53987      0.792123 1.40123      1.05506  1.71897      1.1992   1.05871  0.384771  1.14139  0.410666  
1 1 1 65 7  24 o 3.26141  0.147975  11.0837      0.965217 11.2039      1.2586   10.912       1.50399  3.23206  0.194705  3.1353   0.239848  
1 1 1 65 7  25 o 2.38001  0.191767  6.14097      0.912815 3.68861      1.2675   8.78331      1.31568  1.63168  0.39259   2.79178  0.235635  
1 1 1 65 7  26 o 1.50186  0.315719  2.91275      0.918307 3.47249      1.28172  2.32237      1.31633  1.51483  0.41216   1.1892   0.430018  
1 1 1 65 7  27 o 0.734392 0.326885  0.288669     0.972692 2.35786      1.38972  -1.69849     1.36189  1.15929  0.438065  0.617396 0.304461  
1 1 1 65 7  28 o 0.757498 0.329559  0.647215     0.932254 2.26216      1.34023  -0.866652    1.29761  1.06014  0.422083  0.634986 0.31004   
1 1 1 65 7  29 f 0.81749  0.356527  0.961046     1.09637  -1.69116     1.82157  2.46762      1.3729   0.664863 0.331986  1.07769  0.427784  
1 1 1 65 7  30 o 0.679027 0.316791  0.453523     1.05445  1.93575      1.83177  -0.281045    1.28953  0.822616 0.39375   0.628088 0.307216  
1 1 1 65 8  0  o 7.19133  0.111747  51.9229      1.60634  51.9229      1.60634  51.9229      1.60634  7.19854  0.0789162 ?        ?         
1 1 1 65 8  1  o 3.99494  0.0857496 16.0216      0.685129 16.5868      0.986963 15.496       0.951829 4.05678  0.121644  3.9212   0.12137   
1 1 1 65 8  2  o 1.96408  0.141726  3.89903      0.556724 3.21931      0.791615 4.56421      0.783108 1.77068  0.223534  2.11708  0.18495   
1 1 1 65 8  3  o 1.82951  0.15296   3.38963      0.559685 3.26765      0.801287 3.50584      0.782089 1.7833   0.224665  1.84999  0.211376  
1 1 1 65 8  4  o 3.37996  0.0964125 11.4832      0.651741 11.2294      0.929435 11.7286      0.914156 3.333    0.139429  3.40764  0.134133  
1 1 1 65 8  5  o 3.64967  0.0970977 13.3915      0.708748 13.501       1.03961  13.2965      0.968775 3.65328  0.142285  3.62799  0.133514  
1 1 1 65 8  6  o 2.25285  0.135127  5.12879      0.60884  5.24769      0.967033 5.05071      0.783656 2.26105  0.213846  2.22752  0.175903  
1 1 1 65 8  7  o 2.49457  0.121816  6.27706      0.60776  5.81143      0.906651 6.65702      0.819019 2.38553  0.190031  2.56097  0.159904  
1 1 1 65 8  8  o 1.25808  0.234135  1.68266      0.567127 1.09591      0.860288 2.13363      0.754216 1.03262  0.349674  1.4067   0.277972  
1 1 1 65 8  9  o 4.8961   0.0827176 24.073       0.809986 23.9036      1.16102  24.2337      1.13058  4.8676   0.119259  4.9025   0.115306  
1 1 1 65 8  10 o 2.96051  0.109693  8.83235      0.649493 9.86157      0.941594 7.89817      0.897067 3.11739  0.151023  2.7871   0.160932  
1 1 1 65 8  11 o 1.69216  0.17855   2.92505      0.60427  3.1925       0.850384 2.65228      0.858813 1.75223  0.242658  1.56519  0.284883  
1 1 1 65 8  12 f 2.89171  0.118152  8.44683      0.683322 8.36217      0.982648 8.5261       0.950862 2.86133  0.171712  2.89176  0.164409  
1 1 1 65 8  13 o 0.730123 0.2906    0.343468     0.635114 -0.710167    0.906831 1.35787      0.889785 0.63092  0.294128  1.11243  0.355061  
1 1 1 65 8  14 o 1.34392  0.246621  1.94184      0.638132 2.04467      0.936203 1.8526       0.872111 1.34462  0.346147  1.28314  0.335909  
1 1 1 65 8  15 o 2.31144  0.147405  5.43651      0.681438 5.03802      0.972925 5.82024      0.954731 2.2016   0.220959  2.37409  0.201073  
1 1 1 65 8  16 o 2.60829  0.133682  6.90986      0.697361 6.63209      0.996269 7.1767       0.976464 2.53269  0.196682  2.63964  0.184962  
1 1 1 65 8  17 o 2.3723   0.153831  5.7534       0.729865 5.30997      1.10121  6.10079      0.9747   2.24153  0.245638  2.42427  0.201029  
1 1 1 65 8  18 o 1.35276  0.285609  2.05262      0.74874  2.51308      1.10859  1.66638      1.01531  1.44975  0.378351  1.19048  0.379209  
1 1 1 65 8  19 o 0.729874 0.298766  0.318007     0.694672 1.42954      0.981434 -0.797982    0.983399 1.10828  0.373484  0.636896 0.299235  
1 1 1 65 8  20 o 0.727459 0.301263  0.28951      0.71596  -0.08403     0.965639 0.745555     1.06697  0.734756 0.326441  0.930429 0.374227  
1 1 1 65 8  21 o 1.35066  0.287113  2.09807      0.752288 1.16654      0.986678 3.39147      1.16264  1.0154   0.371793  1.6728   0.357915  
1 1 1 65 8  22 o 1.14381  0.332736  1.59843      0.806731 1.78307      1.12481  1.40284      1.15768  1.17335  0.399834  1.07188  0.40099   
1 1 1 65 8  23 o 1.18256  0.329572  1.74236      0.8082   2.12534      1.04733  1.1786       1.27072  1.26761  0.381841  1.01047  0.407579  
1 1 1 65 8  24 o 2.5248   0.192588  6.85811      0.972492 6.76766      1.22956  7.00921      1.58927  2.44809  0.251127  2.39065  0.332394  
1 1 1 65 8  25 o 0.583479 0.278344  -0.683227    0.895896 -0.150158    1.37009  -1.08141     1.18413  0.773793 0.361043  0.632071 0.305714  
1 1 1 65 8  26 o 1.28218  0.359658  2.32744      0.959442 1.4606       1.3956   3.10428      1.32117  0.992244 0.416326  1.3847   0.43127   
1 1 1 65 8  27 o 0.711875 0.321685  0.281754     0.975637 -0.233241    1.48594  0.671996     1.2935   0.7374   0.353364  0.814438 0.36909   
1 1 1 65 8  28 o 0.787724 0.345254  0.828875     1.03874  0.223163     1.56718  1.30347      1.38723  0.755016 0.362068  0.866805 0.387969  
1 1 1 65 8  29 o 0.538163 0.2658    -1.18903     1.0482   -2.01468     1.71045  -0.692471    1.32647  0.617106 0.310515  0.634524 0.310649  
1 1 1 65 9  0  o 1.54253  0.28552   2.65318      0.790737 2.65318      0.790737 2.65318      0.790737 1.59184  0.180947  ?        ?         
1 1 1 65 9  1  o 2.53682  0.11644   6.48518      0.590775 6.08472      0.843696 6.87042      0.827503 2.44598  0.172466  2.60238  0.158989  
1 1 1 65 9  2  o 2.9997   0.10287   9.0527       0.617161 7.92092      0.854897 10.2845      0.891872 2.7957   0.152895  3.18908  0.139832  
1 1 1 65 9  3  o 3.63092  0.0912627 13.2468      0.662735 13.477       0.937924 13.0172      0.936574 3.65376  0.128351  3.59034  0.13043   
1 1 1 65 9  4  o 1.71674  0.172289  2.99802      0.591551 3.41989      0.879393 2.64935      0.799465 1.81861  0.241777  1.59885  0.250013  
1 1 1 65 9  5  o 0.979476 0.276335  1.03149      0.564791 0.508669     0.874571 1.40551      0.739725 0.863859 0.341896  1.13455  0.315011  
1 1 1 65 9  6  o 0.942678 0.273466  0.950162     0.54566  0.32712      0.779108 1.55         0.76446  0.783615 0.317876  1.18851  0.316049  
1 1 1 65 9  7  o 3.61386  0.0920369 13.1275      0.665216 12.6928      0.952944 13.5406      0.929027 3.54306  0.13448   3.66168  0.126858  
1 1 1 65 9  8  o 2.92204  0.104936  8.59724      0.613251 7.49749      0.87323  9.66745      0.861425 2.716    0.160757  3.09029  0.139376  
1 1 1 65 9  9  o 3.88628  0.0890715 15.1812      0.692313 14.3708      0.971062 16.019       0.987297 3.77046  0.128772  3.98238  0.123958  
1 1 1 65 9  10 o 4.24026  0.0890998 18.0775      0.755612 18.3078      1.08453  17.8602      1.05335  4.25518  0.127437  4.20361  0.125291  
1 1 1 65 9  11 o 4.36898  0.0884752 19.1975      0.773093 17.7331      1.08115  20.7297      1.10591  4.18566  0.129149  4.52841  0.122107  
1 1 1 65 9  12 o 3.39045  0.106807  11.5937      0.724246 11.5889      1.06075  11.5979      0.991257 3.37309  0.157236  3.37839  0.146706  
1 1 1 65 9  13 o 1.81114  0.174599  3.35651      0.632447 2.26982      0.896009 4.43549      0.892829 1.4264   0.321733  2.06961  0.2157    
1 1 1 65 9  14 o 1.42789  0.228186  2.12335      0.65165  1.44242      0.95862  2.70831      0.888513 1.14097  0.368981  1.57172  0.293557  
1 1 1 65 9  15 o 2.49434  0.140384  6.32905      0.700328 5.6936       1.03515  6.86541      0.951014 2.33659  0.221509  2.58224  0.184145  
1 1 1 65 9  16 o 2.387    0.144484  5.80617      0.689767 5.49573      0.978431 6.11288      0.972553 2.29725  0.212957  2.4284   0.200245  
1 1 1 65 9  17 o 1.6733   0.206205  2.92467      0.690087 3.42352      0.988892 2.45115      0.963464 1.77998  0.277782  1.45721  0.337035  
1 1 1 65 9  18 f 0.71871  0.297351  0.268961     0.696425 0.135835     1.04247  0.376261     0.935909 0.804461 0.34922   0.821637 0.342609  
1 1 1 65 9  19 o 1.72279  0.221541  3.14959      0.763336 1.7443       1.07271  4.59115      1.08647  1.19973  0.390465  2.05499  0.264349  
1 1 1 65 9  20 o 0.692721 0.294002  0.17253      0.709228 -0.413803    0.967143 0.85466      1.04316  0.678964 0.311461  0.946126 0.373732  
1 1 1 65 9  21 o 1.7548   0.225514  3.32219      0.791465 3.69311      1.06616  2.86684      1.18127  1.80328  0.295617  1.4972   0.390474  
1 1 1 65 9  22 o 1.02651  0.343954  1.29774      0.832372 1.77684      1.0781   0.590692     1.30971  1.16105  0.391446  0.908887 0.392944  
1 1 1 65 9  23 o 1.87276  0.225369  3.85026      0.844121 3.57984      1.10799  4.22434      1.30315  1.69942  0.337991  1.81267  0.37224   
1 1 1 65 9  24 o 1.09176  0.357092  1.60387      0.897176 2.67259      1.2722   0.546504     1.26542  1.33451  0.424419  0.861867 0.379386  
1 1 1 65 9  25 o 1.145    0.363326  1.87423      0.932696 1.56178      1.30969  2.19576      1.32858  1.01896  0.412634  1.15684  0.430203  
1 1 1 65 9  26 o 0.68062  0.311368  -0.0292093   0.959235 0.656553     1.42409  -0.59875     1.29781  0.858244 0.388194  0.6928   0.331569  
1 1 1 65 9  27 o 1.37813  0.358363  2.90305      0.996834 1.82143      1.51736  3.72431      1.32218  0.961403 0.419358  1.43943  0.428109  
1 1 1 65 9  28 o 0.774158 0.344822  0.702479     1.08403  -0.435012    1.63102  1.60254      1.45085  0.715224 0.348924  0.916822 0.404635  
1 1 1 65 9  29 o 0.756334 0.338915  0.982838     1.06131  0.792726     1.725    1.09864      1.34628  0.737377 0.35957   0.762631 0.356632  
1 1 1 65 10 0  f 1.40237  0.314993  2.28298      0.769824 2.28298      0.769824 2.28298      0.769824 1.46678  0.193028  ?        ?         
1 1 1 65 10 1  o 0.542619 0.244745  -0.256604    0.562137 -0.75038     0.819988 0.181219     0.772132 0.589801 0.276372  0.744803 0.310921  
1 1 1 65 10 2  o 4.15576  0.0847707 17.3437      0.704574 17.1867      0.996063 17.501       0.996775 4.12795  0.120649  4.16582  0.119637  
1 1 1 65 10 3  o 1.83774  0.150208  3.4227       0.552085 3.24811      0.743908 3.63676      0.82371  1.77917  0.20906   1.88027  0.21904   
1 1 1 65 10 4  o 1.62052  0.176491  2.67541      0.572012 2.22406      0.91704  2.96286      0.731833 1.41967  0.329118  1.69757  0.215554  
1 1 1 65 10 5  o 2.64456  0.120136  7.05548      0.635414 5.89103      0.959295 7.96574      0.848155 2.39772  0.200043  2.80263  0.151314  
1 1 1 65 10 6  o 4.37563  0.0838024 19.23        0.733376 18.7932      1.0514   19.6439      1.02347  4.31495  0.121832  4.41346  0.115948  
1 1 1 65 10 7  f 2.7817   0.108699  7.7966       0.604738 8.24577      0.87319  7.38258      0.838331 2.84998  0.153193  2.69608  0.155472  
1 1 1 65 10 8  o 0.840634 0.282206  0.711551     0.560338 0.338327     0.810267 1.05364      0.775736 0.794961 0.32358   1.00316  0.332046  
1 1 1 65 10 9  o 2.43466  0.124417  5.99174      0.605827 6.26594      0.85378  5.71366      0.85979  2.47762  0.172298  2.36316  0.181915  
1 1 1 65 10 10 o 2.85903  0.11342   8.25221      0.648541 7.56708      0.911696 8.95406      0.922755 2.72273  0.167423  2.96588  0.155562  
1 1 1 65 10 11 o 2.47852  0.126917  6.21754      0.629131 5.81487      0.882284 6.63409      0.89736  2.38085  0.185288  2.5461   0.176223  
1 1 1 65 10 12 o 5.52142  0.0909236 30.6784      1.00405  28.9164      1.41916  32.4443      1.42074  5.34151  0.132842  5.66204  0.125462  
1 1 1 65 10 13 o 2.53743  0.133612  6.52959      0.67806  5.87083      0.955542 7.19776      0.962336 2.38537  0.200293  2.64845  0.181679  
1 1 1 65 10 14 f 1.17014  0.280257  1.51668      0.648214 1.07295      0.936352 1.92504      0.89826  1.01965  0.363275  1.29905  0.341294  
1 1 1 65 10 15 f 0.885636 0.304134  0.805378     0.651079 0.9422       0.939601 0.679003     0.903017 0.981018 0.36239   0.900416 0.349703  
1 1 1 65 10 16 o 0.436117 0.215138  -1.41201     0.681464 -1.64304     0.978474 -1.1944      0.949643 0.54878  0.268234  0.581889 0.279722  
1 1 1 65 10 17 o 3.23831  0.119288  10.657       0.772582 9.49801      1.04864  12.0329      1.14259  3.03037  0.173021  3.41454  0.167312  
1 1 1 65 10 18 o 2.37209  0.159233  5.80235      0.755427 5.91686      1.05414  5.68146      1.08312  2.36133  0.223209  2.30683  0.234764  
1 1 1 65 10 19 o 2.26917  0.1731    5.35161      0.785585 6.18823      1.10466  4.49555      1.11742  2.40545  0.229616  2.02093  0.276463  
1 1 1 65 10 20 o 1.40441  0.284896  2.26584      0.772334 1.41625      1.03052  3.35458      1.16658  1.0844   0.381631  1.65609  0.362173  
1 1 1 65 10 21 o 0.734866 0.314794  0.231524     0.826469 -0.178951    1.07225  0.832335     1.29724  0.735902 0.334353  0.957955 0.401637  
1 1 1 65 10 22 f 0.630026 0.288041  -0.275033    0.819445 0.0701611    1.0705   -0.763554    1.27349  0.766992 0.342117  0.712994 0.336596  
1 1 1 65 10 23 o 1.04889  0.33897   1.40637      0.809126 1.93157      1.16709  0.920324     1.12275  1.17071  0.406693  0.924338 0.379339  
1 1 1 65 10 24 o 1.46212  0.327367  2.77223      0.933295 2.95319      1.35624  2.60945      1.28629  1.36179  0.438732  1.28931  0.427574  
1 1 1 65 10 25 o 2.20286  0.238473  5.618        1.05065  5.25462      1.55246  5.92506      1.42712  1.85887  0.426417  2.12653  0.33555   
1 1 1 65 10 26 o 0.837585 0.348909  0.934861     0.969133 1.56593      1.47514  0.455634     1.28548  0.9549   0.414985  0.78739  0.360311  
1 1 1 65 10 27 o 1.12115  0.371861  2.13884      0.972926 1.12692      1.49889  2.8756       1.27898  0.846721 0.388134  1.19977  0.424857  
1 1 1 65 10 28 o 0.744468 0.333975  0.631929     1.03319  1.01806      1.65474  0.385212     1.3227   0.82017  0.386161  0.737313 0.346595  
1 1 1 65 11 0  o 3.8381   0.148369  14.8958      1.13505  14.8958      1.13505  14.8958      1.13505  3.8488   0.10444   ?        ?         
1 1 1 65 11 1  o 3.85245  0.0893701 14.9143      0.688588 15.5822      0.988335 14.2842      0.959907 3.9282   0.1258    3.76049  0.12763   
1 1 1 65 11 2  o 2.42116  0.121934  5.9159       0.590445 6.24123      0.807343 5.54182      0.865742 2.47781  0.162915  2.32914  0.18585   
1 1 1 65 11 3  o 4.15712  0.0902564 17.3694      0.750413 17.1522      1.11392  17.5499      1.0154   4.11784  0.135256  4.16982  0.121755  
1 1 1 65 11 4  o 3.86073  0.089515  14.9808      0.691185 14.7922      1.01953  15.1412      0.940246 3.82441  0.133292  3.87298  0.121385  
1 1 1 65 11 5  o 1.76328  0.152631  3.15595      0.538263 3.13451      0.7439   3.17952      0.779807 1.74485  0.21317   1.75517  0.222146  
1 1 1 65 11 6  o 5.01427  0.080225  25.2501      0.804539 25.1235      1.15281  25.3704      1.12334  4.99025  0.115506  5.01604  0.111975  
1 1 1 65 11 7  f 2.54148  0.120981  6.52412      0.614943 7.13566      0.87337  5.92285      0.866    2.64662  0.164997  2.40707  0.179887  
1 1 1 65 11 8  o 3.63778  0.097376  13.324       0.708466 12.8044      1.01218  13.823       0.99197  3.55248  0.142461  3.69406  0.134266  
1 1 1 65 11 9  o 0.756016 0.281455  0.4909       0.568979 1.23524      0.795098 -0.290343    0.814571 1.06447  0.335174  0.657685 0.29574   
1 1 1 65 11 10 o 1.81581  0.163324  3.3636       0.593131 3.13743      0.814673 3.61871      0.865236 1.73553  0.234704  1.86475  0.231998  
1 1 1 65 11 11 o 4.41412  0.0946762 19.618       0.835824 18.3509      1.24591  20.6549      1.12707  4.24898  0.146613  4.51793  0.124733  
1 1 1 65 11 12 o 2.52017  0.130493  6.43742      0.657729 5.70586      0.951605 7.1066       0.910119 2.35063  0.202414  2.63469  0.172718  
1 1 1 65 11 13 o 2.94285  0.120122  8.76961      0.707005 8.52599      1.00005  9.01304      0.999658 2.8824   0.173476  2.96571  0.168536  
1 1 1 65 11 14 o 3.56944  0.103574  12.8618      0.739404 11.651       1.06816  13.9758      1.02455  3.37607  0.158196  3.70713  0.138187  
1 1 1 65 11 15 o 1.23279  0.271787  1.68731      0.652093 2.71071      0.937224 0.727008     0.907874 1.55065  0.313169  0.908607 0.351104  
1 1 1 65 11 16 o 2.09452  0.175608  4.53868      0.73563  3.81435      1.00876  5.36138      1.07508  1.87822  0.268542  2.24406  0.239538  
1 1 1 65 11 17 o 0.935045 0.312674  0.963612     0.68786  1.99831      0.937502 -0.242937    1.01237  1.29517  0.352543  0.726969 0.328139  
1 1 1 65 11 18 o 1.23711  0.293613  1.75691      0.716518 1.66709      0.978412 1.86079      1.05223  1.17587  0.372022  1.23272  0.38507   
1 1 1 65 11 19 o 2.13205  0.170731  4.73385      0.728014 4.58983      0.994369 4.90024      1.06879  2.05885  0.241487  2.12009  0.252062  
1 1 1 65 11 20 o 1.50687  0.290863  2.63382      0.8453   1.5482       1.08184  4.33552      1.35446  1.11135  0.391027  1.86258  0.376767  
1 1 1 65 11 21 o 1.76943  0.244339  3.47325      0.864681 3.73287      1.13769  3.11817      1.33051  1.74257  0.338522  1.50002  0.424435  
1 1 1 65 11 22 o 1.13755  0.339343  1.64181      0.82989  1.49179      1.18004  1.78861      1.16734  1.06919  0.403771  1.14518  0.405856  
1 1 1 65 11 23 o 1.11858  0.349567  1.67878      0.867022 1.38431      1.2527   1.94954      1.20123  1.01245  0.406207  1.14856  0.411235  
1 1 1 65 11 24 o 1.84634  0.284446  4.15687      1.05037  5.07947      1.56756  3.40509      1.41502  1.81441  0.436617  1.43852  0.445982  
1 1 1 65 11 25 o 0.926311 0.356711  1.18998      0.935409 0.572349     1.36633  1.73483      1.2833   0.840094 0.380099  1.03812  0.413114  
1 1 1 65 11 26 o 1.18873  0.369146  2.28348      0.968909 2.64988      1.48959  2.01478      1.27564  1.10984  0.443921  1.02693  0.410785  
1 1 1 65 11 27 o 0.638686 0.299295  -0.0822874   0.962118 1.54804      1.45859  -1.33801     1.2801   0.906977 0.402299  0.592108 0.292754  
1 1 1 65 11 28 o 0.809085 0.354551  1.25365      1.09502  3.46013      1.75691  -0.147918    1.40026  1.01234  0.446227  0.657226 0.321157  
1 1 1 65 12 0  o 4.39537  0.156332  19.5449      1.37033  19.5449      1.37033  19.5449      1.37033  4.40817  0.110062  ?        ?         
1 1 1 65 12 1  o 7.01067  0.0824104 49.3667      1.1555   50.0051      1.59069  48.6535      1.68133  7.04209  0.112942  6.94197  0.121099  
1 1 1 65 12 2  o 2.78959  0.111786  7.84554      0.623673 6.75733      0.812247 9.40873      0.973505 2.57851  0.157503  3.04183  0.160019  
1 1 1 65 12 3  o 0.954362 0.278509  0.979371     0.56433  1.56323      0.818778 0.451021     0.778883 1.1882   0.33191   0.8145   0.322559  
1 1 1 65 12 4  o 0.656172 0.261373  0.259037     0.51416  -0.2552      0.704701 0.844389     0.751851 0.615505 0.275979  0.926856 0.325994  
1 1 1 65 12 5  o 3.33445  0.0937798 11.1864      0.625409 11.7242      0.876096 10.6277      0.893071 3.40457  0.128665  3.23873  0.137874  
1 1 1 65 12 6  o 3.66714  0.0903131 13.5268      0.662382 13.3003      0.929921 13.7602      0.943731 3.62563  0.128243  3.68788  0.12795   
1 1 1 65 12 7  o 4.86834  0.0849339 23.8281      0.826974 23.2089      1.19083  24.4048      1.14931  4.79018  0.124299  4.91527  0.116912  
1 1 1 65 12 8  o 1.62731  0.182092  2.71409      0.59264  2.62307      0.837322 2.80547      0.83892  1.55438  0.279516  1.63506  0.25654   
1 1 1 65 12 9  o 3.12522  0.106013  9.85032      0.662631 9.61947      0.929866 10.0885      0.94451  3.07494  0.151201  3.14945  0.149948  
1 1 1 65 12 10 o 3.07678  0.108762  9.55252      0.669275 9.03899      0.940092 10.0803      0.953038 2.97812  0.157833  3.14735  0.151403  
1 1 1 65 12 11 o 4.43073  0.0913246 19.764       0.80927  18.8783      1.14871  20.6367      1.1403   4.31409  0.133135  4.51372  0.126315  
1 1 1 65 12 12 o 3.7826   0.101883  14.438       0.770769 14.6895      1.1179   14.2101      1.06414  3.79697  0.14721   3.73673  0.14239   
1 1 1 65 12 13 o 3.05131  0.118892  9.42693      0.725552 9.43126      1.03619  9.42276      1.01627  3.03199  0.170877  3.03209  0.167586  
1 1 1 65 12 14 o 1.65608  0.197611  2.84917      0.654521 3.22263      0.941445 2.49979      0.910591 1.73304  0.271617  1.48615  0.315856  
1 1 1 65 12 15 o 0.728921 0.298619  0.302661     0.694557 -0.535412    0.944381 1.29008      1.02508  0.66079  0.304996  1.07605  0.380425  
1 1 1 65 12 16 o 1.65014  0.213391  2.87212      0.704247 2.58474      0.948372 3.2254       1.05151  1.49216  0.326743  1.67273  0.325937  
1 1 1 65 12 17 o 1.40777  0.264918  2.20956      0.718506 1.76647      1.01198  2.65997      1.02031  1.20763  0.377714  1.49711  0.347211  
1 1 1 65 12 18 o 0.825461 0.316124  0.636309     0.73175  1.61952      0.942142 -0.858591    1.16172  1.15539  0.365013  0.688003 0.323824  
1 1 1 65 12 19 o 2.93515  0.147218  8.90419      0.864213 8.69062      1.09725  9.25316      1.40257  2.86777  0.191307  2.91392  0.240667  
1 1 1 65 12 20 o 1.38937  0.329993  2.37101      0.904562 4.10077      1.25221  0.483363     1.30811  1.81356  0.357979  0.893089 0.389466  
1 1 1 65 12 21 o 0.586483 0.275147  -0.557193    0.821687 -0.0662624   1.1736   -1.02924     1.15081  0.771487 0.350329  0.64758  0.310479  
1 1 1 65 12 22 o 1.30528  0.321935  2.15246      0.836284 2.35608      1.21517  1.96925      1.15267  1.27225  0.415585  1.17498  0.404557  
1 1 1 65 12 23 o 0.649525 0.29639   -0.124357    0.862767 -1.39778     1.2682   0.972784     1.17715  0.626129 0.305886  0.908741 0.381872  
1 1 1 65 12 24 f 0.715246 0.32263   0.139139     0.977019 -0.650518    1.3886   0.913333     1.37493  0.712303 0.341399  0.899165 0.395635  
1 1 1 65 12 25 o 1.33752  0.350349  2.63965      0.948351 2.10126      1.38936  3.10933      1.29767  1.05066  0.425194  1.31574  0.429462  
1 1 1 65 12 26 o 1.2948   0.372557  2.75262      1.01681  4.26423      1.49059  1.43702      1.39059  1.44227  0.459478  0.889053 0.393774  
1 1 1 65 12 27 o 0.7832   0.345596  0.844419     1.05768  0.336911     1.5803   1.25623      1.42353  0.756205 0.362866  0.847675 0.385167  
1 1 1 65 13 0  o 4.27578  0.132291  18.4463      1.12884  18.4463      1.12884  18.4463      1.12884  4.28539  0.0932316 ?        ?         
1 1 1 65 13 1  o 0.74195  0.281294  0.442729     0.574603 0.612589     0.794704 0.256647     0.831786 0.863377 0.329791  0.781411 0.324231  
1 1 1 65 13 2  o 3.49095  0.104429  12.281       0.729117 13.6701      1.03809  10.9286      1.02431  3.67143  0.141374  3.27763  0.156257  
1 1 1 65 13 3  o 2.79594  0.114289  7.89091      0.639093 7.95963      0.905377 7.82266      0.90226  2.79505  0.161961  2.77062  0.162826  
1 1 1 65 13 4  o 0.835014 0.279065  0.70933      0.547932 1.0274       0.733437 0.307589     0.82428  0.985285 0.322866  0.789677 0.324712  
1 1 1 65 13 5  o 4.88277  0.0800749 23.9555      0.781974 23.8013      1.11405  24.1053      1.09788  4.85494  0.114734  4.88683  0.112331  
1 1 1 65 13 6  o 1.13821  0.247307  1.40317      0.54722  1.23687      0.744632 1.59845      0.806882 1.0623   0.322363  1.1963   0.327699  
1 1 1 65 13 7  o 4.73307  0.0840469 22.5217      0.795599 21.6184      1.11277  23.4663      1.13795  4.62427  0.120318  4.81882  0.118073  
1 1 1 65 13 8  o 3.30975  0.101132  11.04        0.669447 11.0938      0.924543 10.9808      0.97062  3.30611  0.139823  3.28644  0.14767   
1 1 1 65 13 9  o 3.26614  0.0999359 10.7499      0.652809 11.2783      0.892475 10.1418      0.957358 3.33533  0.133791  3.1567   0.151639  
1 1 1 65 13 10 o 3.40437  0.102337  11.6907      0.696788 11.2296      0.98472  12.1531      0.986095 3.3209   0.148261  3.45706  0.14262   
1 1 1 65 13 11 o 1.10067  0.279962  1.34238      0.617917 2.2321       0.885289 0.497134     0.862875 1.40743  0.321428  0.843417 0.337653  
1 1 1 65 13 12 o 2.51086  0.13279   6.40358      0.666833 5.7076       0.9548   7.06631      0.931713 2.34599  0.203496  2.62147  0.177708  
1 1 1 65 13 13 o 1.69597  0.208157  3.00072      0.706055 2.63387      0.924219 3.51492      1.09419  1.52816  0.313181  1.76599  0.321703  
1 1 1 65 13 14 o 1.63544  0.211657  2.80651      0.692304 3.15029      0.936743 2.39274      1.0277   1.70536  0.274647  1.42207  0.360654  
1 1 1 65 13 15 o 2.30029  0.158208  5.44931      0.727846 4.93129      0.965796 6.13027      1.10732  2.15729  0.223845  2.40118  0.230578  
1 1 1 65 13 16 o 1.91771  0.196188  3.85449      0.75246  4.19006      0.983451 3.38064      1.16862  1.97166  0.249397  1.68608  0.357433  
1 1 1 65 13 17 o 1.87299  0.20323   3.70253      0.761295 3.84393      0.991428 3.49936      1.18842  1.8742   0.264494  1.70616  0.35953   
1 1 1 65 13 18 o 0.53437  0.254907  -0.78048     0.751189 -1.04312     0.958203 -0.361662    1.21     0.589917 0.282948  0.760064 0.348544  
1 1 1 65 13 19 o 1.6406   0.252008  2.98124      0.826889 2.6394       1.2058   3.2847       1.1361   1.40652  0.406032  1.62133  0.359844  
1 1 1 65 13 20 o 0.968931 0.345399  1.13032      0.846572 2.24982      1.26864  0.231625     1.13667  1.26729  0.42463   0.810901 0.357985  
1 1 1 65 13 21 o 1.54571  0.28149   2.81978      0.838005 3.76036      1.20814  1.94763      1.16337  1.70513  0.364865  1.18168  0.406471  
1 1 1 65 13 22 o 0.580548 0.27751   -0.742851    0.902177 -2.07511     1.37963  0.252477     1.19248  0.611806 0.302838  0.795422 0.357742  
1 1 1 65 13 23 o 1.38077  0.342939  2.59155      0.94395  2.93771      1.38391  2.29039      1.29084  1.32364  0.443502  1.18342  0.42604   
1 1 1 65 13 24 o 1.44985  0.349898  2.9423       1.00447  3.64295      1.43607  2.27116      1.4055   1.45498  0.448926  1.12955  0.436778  
1 1 1 65 13 25 o 0.650922 0.303544  -0.0411858   0.966745 0.739        1.37848  -0.796306    1.35616  0.81     0.371684  0.652963 0.318481  
1 1 1 65 13 26 o 0.823117 0.348257  0.991939     0.990094 2.558        1.45333  -0.364369    1.35251  1.07797  0.435438  0.68146  0.329105  
1 1 1 65 13 27 o 0.984127 0.387513  2.13422      1.11822  2.59809      1.75557  1.81754      1.45053  0.908126 0.417859  0.855754 0.388828  
1 1 1 65 14 0  o 1.18612  0.403533  1.89023      0.856295 1.89023      0.856295 1.89023      0.856295 1.28771  0.266484  ?        ?         
1 1 1 65 14 1  o 1.8947   0.158358  3.65724      0.600081 3.65453      0.793412 3.66087      0.917288 1.88071  0.210934  1.87186  0.245021  
1 1 1 65 14 2  o 1.3622   0.218318  1.92189      0.594786 2.2226       0.901533 1.69011      0.791481 1.41087  0.32583   1.23112  0.318946  
1 1 1 65 14 3  o 1.16006  0.250422  1.4588       0.564487 1.10992      0.768088 1.86853      0.832394 1.01773  0.330398  1.29299  0.322587  
1 1 1 65 14 4  o 0.636917 0.266895  0.116042     0.572331 0.251563     0.786686 -0.0363438   0.834199 0.76161  0.315623  0.71498  0.311413  
1 1 1 65 14 5  o 4.74009  0.0824678 22.5844      0.78181  23.1412      1.09106  21.9969      1.12083  4.78697  0.113961  4.66457  0.120143  
1 1 1 65 14 6  o 1.33721  0.214423  1.85092      0.573457 0.972918     0.752021 3.07083      0.886435 0.966905 0.326931  1.70897  0.259347  
1 1 1 65 14 7  o 2.77721  0.113537  7.78945      0.630634 8.56261      0.834163 6.75806      0.963444 2.90319  0.143663  2.56499  0.187806  
1 1 1 65 14 8  o 1.34316  0.219845  1.8744       0.590573 1.65277      0.78979  2.1555       0.889458 1.21401  0.320519  1.38502  0.326122  
1 1 1 65 14 9  o 3.90028  0.0966645 15.335       0.754037 16.1104      1.03377  14.4535      1.10226  3.98501  0.129707  3.76721  0.146297  
1 1 1 65 14 10 o 1.56136  0.180015  2.50733      0.562138 2.8168       0.727994 2.05031      0.884682 1.64324  0.221511  1.3437   0.330941  
1 1 1 65 14 11 o 2.74156  0.114096  7.60548      0.6256   7.81328      0.849591 7.35936      0.92463  2.76556  0.153602  2.67656  0.172727  
1 1 1 65 14 12 o 1.21312  0.287285  1.65113      0.687147 1.83818      0.879386 1.35784      1.10113  1.26106  0.340631  1.10987  0.394093  
1 1 1 65 14 13 o 0.843546 0.314886  0.671217     0.713123 1.05486      0.87993  -0.0629713   1.21728  0.991835 0.352281  0.826296 0.366888  
1 1 1 65 14 14 o 0.515177 0.246696  -0.862885    0.720959 0.0349099    0.895571 -2.51614     1.21529  0.736399 0.321684  0.566428 0.281182  
1 1 1 65 14 15 o 1.40373  0.265548  2.19656      0.718381 1.97756      0.899214 2.58293      1.19438  1.29084  0.342554  1.44129  0.400311  
1 1 1 65 14 16 o 0.72104  0.302751  0.240296     0.738899 0.40777      0.967313 0.00567895   1.14492  0.82895  0.347153  0.803816 0.356498  
1 1 1 65 14 17 o 0.683781 0.296448  0.0847258    0.749381 -0.677407    0.96383  1.24966      1.19161  0.636722 0.298587  1.05105  0.40315   
1 1 1 65 14 18 o 1.84493  0.223126  3.68167      0.823304 3.2022       1.24244  4.05704      1.09931  1.57048  0.395508  1.88606  0.29143   
1 1 1 65 14 19 o 0.611422 0.281805  -0.354114    0.802467 -0.837499    1.20283  0.0336033    1.07725  0.685632 0.325225  0.764101 0.341946  
1 1 1 65 14 20 o 0.667475 0.297936  -0.0366582   0.813127 -1.04524     1.18909  0.849219     1.11441  0.656168 0.314839  0.917889 0.377517  
1 1 1 65 14 21 o 1.20759  0.343783  1.92915      0.870323 2.06247      1.31053  1.82395      1.16409  1.16764  0.428392  1.12378  0.404582  
1 1 1 65 14 22 o 1.56806  0.295176  3.06813      0.891738 3.56658      1.31057  2.63843      1.21685  1.53482  0.416405  1.30304  0.415152  
1 1 1 65 14 23 o 0.810651 0.340779  0.692113     0.93801  2.59048      1.36372  -1.01248     1.29225  1.22879  0.438347  0.655233 0.31734   
1 1 1 65 14 24 o 0.9687   0.371716  1.54018      1.01338  1.86777      1.41283  1.19305      1.45434  0.994388 0.418132  0.886705 0.39705   
1 1 1 65 14 25 o 0.615503 0.293476  -0.297202    0.992794 -0.406907    1.49193  -0.210014    1.33003  0.693583 0.33746   0.68709  0.330475  
1 1 1 65 14 26 o 0.802249 0.348829  0.967637     1.04334  1.57473      1.5355   0.446947     1.42203  0.881381 0.400361  0.751325 0.355078  
1 1 1 65 15 0  o 5.74696  0.118738  33.2466      1.36345  33.2466      1.36345  33.2466      1.36345  5.75648  0.0837807 ?        ?         
1 1 1 65 15 1  o 4.11648  0.0922854 17.0552      0.759781 18.22        1.05209  15.7857      1.09839  4.24371  0.123959  3.94409  0.139245  
1 1 1 65 15 2  o 2.0983   0.15008   4.47845      0.629823 4.60269      0.955282 4.38293      0.837671 2.10441  0.226972  2.06131  0.203189  
1 1 1 65 15 3  o 0.95355  0.272313  0.98765      0.545243 1.47532      0.750577 0.442768     0.793383 1.15159  0.316328  0.812772 0.324388  
1 1 1 65 15 4  o 5.83961  0.082326  34.2785      0.961503 35.6848      1.44957  33.1736      1.28483  5.93977  0.122022  5.73204  0.112074  
1 1 1 65 15 5  o 2.98786  0.104576  9.003        0.624916 9.41655      0.896056 8.6114       0.871965 3.04314  0.147226  2.90926  0.14986   
1 1 1 65 15 6  o 0.847147 0.287677  0.72889      0.582274 1.10283      0.784443 0.270049     0.868946 1.01379  0.333904  0.793004 0.330363  
1 1 1 65 15 7  o 3.52409  0.101741  12.5289      0.717088 13.2161      0.998109 11.7958      1.03092  3.60614  0.13839   3.40143  0.151542  
1 1 1 65 15 8  o 2.30197  0.137511  5.38693      0.633095 5.60113      0.825317 5.08067      0.986842 2.33497  0.17673   2.20625  0.223646  
1 1 1 65 15 9  o 1.66253  0.176162  2.83977      0.585746 3.06698      0.761321 2.51017      0.916964 1.71424  0.222058  1.49576  0.31627   
1 1 1 65 15 10 o 1.84503  0.165235  3.49202      0.609725 3.9862       0.721613 2.25869      1.13999  1.96552  0.183568  1.38057  0.393592  
1 1 1 65 15 11 o 1.66176  0.200792  2.87665      0.667335 3.633        0.813656 1.32228      1.16642  1.8608   0.21863   1.10523  0.404285  
1 1 1 65 15 12 o 0.673497 0.298987  -0.129839    0.8079   -0.841814    1.16946  0.520162     1.1174   0.702473 0.329327  0.902896 0.375289  
1 1 1 65 15 13 o 0.72151  0.313411  0.0606713    0.840656 -0.747038    1.15992  0.954358     1.22009  0.708026 0.331071  1.01114  0.402675  
1 1 1 65 15 14 o 2.43344  0.179432  6.15913      0.873276 7.32847      1.22896  4.96654      1.24112  2.61874  0.234648  2.11813  0.292976  
1 1 1 65 15 15 o 0.754494 0.295217  0.470372     0.646025 0.0711247    0.826264 1.09828      1.03621  0.713838 0.310408  1.00921  0.379008  
1 1 1 65 15 16 o 1.68638  0.240287  3.08299      0.81043  1.36638      1.21536  4.45743      1.08751  1.08308  0.409548  2.00703  0.270925  
1 1 1 65 15 17 o 1.43796  0.286659  2.39492      0.795194 3.70563      1.21607  1.41582      1.05104  1.72969  0.363096  1.07441  0.384671  
1 1 1 65 15 18 o 0.892274 0.335759  0.876992     0.814005 0.47463      1.21644  1.20327      1.0954   0.871234 0.377707  1.00471  0.386198  
1 1 1 65 15 19 o 0.984644 0.34362   1.19005      0.833965 1.92134      1.30259  0.682076     1.08564  1.17415  0.427452  0.880572 0.368208  
1 1 1 65 15 20 o 1.93306  0.21887   4.12785      0.84618  3.98385      1.22922  4.25755      1.16659  1.7441   0.364261  1.87448  0.311176  
1 1 1 65 15 21 o 1.19003  0.341944  1.91494      0.85715  1.36493      1.2358   2.42485      1.18989  0.991814 0.40116   1.26106  0.41124   
1 1 1 65 15 22 o 0.685292 0.310619  0.0415143    0.916538 0.0747537    1.3088   0.00952709   1.28392  0.775766 0.358441  0.763184 0.353539  
1 1 1 65 15 23 o 0.590695 0.283032  -0.628695    0.952654 -0.521361    1.31697  -0.746505    1.37974  0.692261 0.331958  0.683811 0.330611  
1 1 1 65 15 24 o 0.856742 0.354785  1.12765      0.992868 1.37804      1.37836  0.857626     1.43139  0.892494 0.394083  0.822228 0.377904  
1 1 1 65 15 25 o 0.872423 0.35959   1.2243       1.01324  0.240232     1.49743  2.05539      1.37613  0.755507 0.360277  0.998742 0.415887  
1 1 1 65 15 26 o 0.847111 0.360553  1.49709      1.07201  0.404436     1.54942  2.50045      1.48475  0.703465 0.342628  0.930242 0.410104  
1 1 1 65 16 0  o 3.27098  0.147502  10.8555      0.960487 10.8555      0.960487 10.8555      0.960487 3.28295  0.103673  ?        ?         
1 1 1 65 16 1  o 3.29361  0.110478  10.9528      0.72774  10.8673      1.04194  11.0342      1.01688  3.26377  0.159622  3.29079  0.154504  
1 1 1 65 16 2  o 2.35627  0.129001  5.62608      0.607922 4.75484      0.844321 6.56397      0.876018 2.14755  0.196578  2.53183  0.173001  
1 1 1 65 16 3  o 2.09387  0.139123  4.45369      0.582612 4.48808      0.81453  4.41767      0.833681 2.08628  0.195211  2.06778  0.201588  
1 1 1 65 16 4  o 3.69327  0.099494  13.7539      0.734916 12.3888      1.12429  14.7723      0.971112 3.48188  0.161449  3.81765  0.127187  
1 1 1 65 16 5  o 1.68888  0.167345  2.92206      0.565253 3.12199      0.785519 2.70736      0.814018 1.72854  0.22722   1.60104  0.254216  
1 1 1 65 16 6  o 2.3895   0.126341  5.78966      0.603782 6.0952       0.868703 5.50412      0.839784 2.43513  0.178369  2.31292  0.181542  
1 1 1 65 16 7  o 1.19997  0.24021   1.55953      0.556135 1.02074      0.733622 2.28749      0.852737 0.975613 0.322907  1.43048  0.306913  
1 1 1 65 16 8  o 1.25044  0.251103  1.70403      0.605868 1.79264      0.780363 1.56957      0.961317 1.26046  0.311049  1.17239  0.368426  
1 1 1 65 16 9  o 0.585241 0.263124  -0.22336     0.64456  0.481272     0.82981  -1.29518     1.02343  0.824435 0.330677  0.601935 0.289609  
1 1 1 65 16 10 o 2.03924  0.189794  4.31814      0.774073 3.39902      1.14289  5.0971       1.05214  1.71628  0.345091  2.19149  0.240051  
1 1 1 65 16 11 o 3.00868  0.139026  9.25184      0.836569 8.85678      1.23049  9.59139      1.14077  2.90227  0.211988  3.03623  0.18786   
1 1 1 65 16 12 o 1.64511  0.245579  2.90406      0.808008 0.797316     1.22711  4.5167       1.07361  0.977719 0.398128  2.04193  0.262891  
1 1 1 65 16 13 o 1.90182  0.211902  3.81983      0.805998 3.07302      1.17072  4.49274      1.1113   1.59418  0.373362  2.02643  0.274202  
1 1 1 65 16 14 o 2.32596  0.169661  5.616        0.78925  5.72032      1.18178  5.53202      1.0604   2.29274  0.257722  2.27128  0.233435  
1 1 1 65 16 15 o 0.983414 0.333547  1.11305      0.782763 0.534123     1.15731  1.60121      1.06272  0.894096 0.377315  1.14101  0.388643  
1 1 1 65 16 16 o 0.624151 0.283878  -0.257765    0.777417 0.322697     1.13074  -0.778115    1.07059  0.839256 0.364005  0.658449 0.310191  
1 1 1 65 16 17 o 1.07765  0.341647  1.44582      0.824851 0.503584     1.22782  2.22085      1.11356  0.879664 0.380388  1.28923  0.394815  
1 1 1 65 16 18 o 1.35584  0.312529  2.23957      0.830684 3.15565      1.28824  1.58757      1.08681  1.51618  0.413508  1.10033  0.39144   
1 1 1 65 16 19 o 0.620824 0.284545  -0.264019    0.80528  -0.477203    1.18713  -0.0823134   1.09599  0.711608 0.333286  0.739995 0.336698  
1 1 1 65 16 20 o 0.790555 0.323935  0.608147     0.817483 0.943092     1.21194  0.328529     1.10733  0.913489 0.385839  0.789766 0.35039   
1 1 1 65 16 21 o 0.646601 0.296562  -0.137879    0.876397 0.159272     1.21613  -0.458929    1.26409  0.771988 0.352168  0.706799 0.334385  
1 1 1 65 16 22 o 1.30904  0.367305  2.49041      1.00052  1.46089      1.41515  3.51938      1.41477  0.979404 0.415466  1.44133  0.445759  
1 1 1 65 16 23 o 1.67835  0.306145  3.81202      0.989533 3.89462      1.38062  3.72475      1.41899  1.46004  0.438125  1.3923   0.448788  
1 1 1 65 16 24 o 0.715112 0.323989  0.416333     0.996025 0.707636     1.38816  0.107222     1.42996  0.792086 0.36719   0.732257 0.349873  
1 1 1 65 16 25 f 0.734912 0.333772  0.614847     1.06622  0.555808     1.6058   0.661399     1.4259   0.762481 0.365855  0.762443 0.358831  
1 1 1 65 17 0  o 2.68181  0.176609  7.38147      0.93784  7.38147      0.93784  7.38147      0.93784  2.69961  0.123411  ?        ?         
1 1 1 65 17 1  o 2.26723  0.145092  5.23509      0.657916 5.53346      0.948298 4.9582       0.913543 2.31022  0.20524   2.1854   0.20901   
1 1 1 65 17 2  o 1.14737  0.259986  1.44395      0.582899 1.29018      0.805239 1.61324      0.844875 1.07713  0.336936  1.19227  0.338496  
1 1 1 65 17 3  o 0.981726 0.27227   1.05949      0.55292  1.24451      0.759048 0.850343     0.807051 1.05884  0.326313  0.930167 0.336673  
1 1 1 65 17 4  o 2.07618  0.141283  4.38635      0.586656 4.48218      0.81022  4.28075      0.850562 2.08263  0.194519  2.03006  0.209492  
1 1 1 65 17 5  o 2.39632  0.124146  5.82069      0.594989 6.0295       0.843143 5.61356      0.839751 2.42315  0.173977  2.33602  0.17974   
1 1 1 65 17 6  o 3.24265  0.100278  10.6129      0.650331 10.5031      0.894613 10.7358      0.94704  3.21208  0.139257  3.24466  0.145938  
1 1 1 65 17 7  o 2.61452  0.125338  6.94143      0.655396 6.45147      0.821138 7.80142      1.08788  2.50726  0.163752  2.74073  0.198466  
1 1 1 65 17 8  o 2.70713  0.153828  7.5097       0.832865 8.20395      1.24035  6.93965      1.12394  2.79353  0.222003  2.57121  0.218562  
1 1 1 65 17 9  o 2.14331  0.180324  4.75935      0.772981 4.60811      1.16164  4.87952      1.03552  2.0574   0.282308  2.14042  0.241896  
1 1 1 65 17 10 o 2.28282  0.16409   5.37519      0.749176 4.53466      1.07278  6.17534      1.04669  2.049    0.261781  2.41976  0.21628   
1 1 1 65 17 11 o 0.700645 0.301734  0.0960906    0.766534 1.27967      1.12443  -0.931498    1.04772  1.07392  0.396489  0.644853 0.30477   
1 1 1 65 17 12 f 1.84983  0.211074  3.6135       0.780902 3.54782      1.13511  3.67251      1.07599  1.74302  0.337668  1.81867  0.295816  
1 1 1 65 17 13 o 1.06137  0.329316  1.31781      0.771323 0.508601     1.1217   2.04366      1.06235  0.88796  0.372937  1.28481  0.384076  
1 1 1 65 17 14 o 0.640471 0.288476  -0.188273    0.778253 -0.139997    1.20227  -0.223092    1.02104  0.791231 0.357345  0.723287 0.327844  
1 1 1 65 17 15 o 1.2387   0.320218  1.84587      0.798908 0.941956     1.20117  2.56295      1.06985  0.973415 0.394766  1.42497  0.371587  
1 1 1 65 17 16 o 2.32736  0.180997  5.73172      0.842493 4.18545      1.24128  7.0525       1.14721  1.84013  0.349904  2.54284  0.225575  
1 1 1 65 17 17 o 2.04556  0.207732  4.52485      0.849859 3.48788      1.20894  5.53793      1.19494  1.64182  0.376067  2.20678  0.270744  
1 1 1 65 17 18 o 1.11372  0.338614  1.58469      0.821076 0.95767      1.22644  2.094        1.10533  0.948214 0.39359   1.23201  0.39599   
1 1 1 65 17 19 o 1.47567  0.295003  2.67354      0.839875 2.34192      1.23208  2.96139      1.14791  1.24471  0.418466  1.45179  0.387845  
1 1 1 65 17 20 f 0.710828 0.314112  0.22486      0.878012 0.767708     1.27857  -0.259596    1.20784  0.874185 0.383096  0.717671 0.336135  
1 1 1 65 17 21 o 0.838294 0.342501  0.827465     0.911228 -0.0283215   1.236    1.84645      1.34871  0.745366 0.345896  1.06228  0.423265  
1 1 1 65 17 22 o 1.07038  0.371924  1.8698       0.976117 1.75972      1.40208  1.97334      1.35976  0.979194 0.414367  1.02327  0.418285  
1 1 1 65 17 23 o 0.565023 0.273744  -0.714514    0.963623 0.0953728    1.36135  -1.52779     1.36419  0.724084 0.34466   0.596176 0.296216  
1 1 1 65 17 24 o 0.619232 0.297088  -0.39124     1.05815  -1.82226     1.4496   1.241        1.54816  0.592367 0.295839  0.853835 0.392677  
1 1 1 65 17 25 o 0.807947 0.349165  1.26767      1.03335  0.903912     1.48255  1.61136      1.44107  0.74296  0.355289  0.818415 0.377372  
1 1 1 65 18 0  o 0.725089 0.40339   0.808938     0.853892 0.808938     0.853892 0.808938     0.853892 0.720584 0.354436  ?        ?         
1 1 1 65 18 1  o 2.29765  0.142036  5.37622      0.652698 5.26603      0.988393 5.46142      0.869167 2.24572  0.220061  2.29982  0.188964  
1 1 1 65 18 2  o 2.20988  0.137611  4.9689       0.608208 5.04897      0.820522 4.87124      0.906103 2.21214  0.185459  2.16373  0.209384  
1 1 1 65 18 3  o 2.28384  0.130444  5.2997       0.595828 5.25172      0.826627 5.35157      0.859596 2.25627  0.183185  2.27541  0.188888  
1 1 1 65 18 4  o 1.37725  0.206934  1.97596      0.570002 2.56596      0.782946 1.3106       0.831448 1.55475  0.251792  1.07972  0.343083  
1 1 1 65 18 5  o 1.5785   0.190297  2.58332      0.600767 2.54547      0.772855 2.64111      0.954984 1.54754  0.249705  1.52345  0.323229  
1 1 1 65 18 6  o 3.89975  0.0982934 15.363       0.766639 16.2526      1.03979  14.3033      1.13481  3.99605  0.130103  3.73694  0.151836  
1 1 1 65 18 7  o 1.06501  0.321608  1.29276      0.742359 0.895792     1.08206  1.64575      1.02036  0.980009 0.382353  1.18234  0.380511  
1 1 1 65 18 8  o 1.81797  0.208459  3.47058      0.757942 3.67672      1.10488  3.28735      1.04169  1.82321  0.303004  1.69676  0.3187    
1 1 1 65 18 9  o 2.09358  0.184701  4.56322      0.773374 5.02284      1.18367  4.22086      1.02158  2.14539  0.275863  1.97684  0.258387  
1 1 1 65 18 10 o 2.3876   0.163807  5.88996      0.782213 5.72223      1.14661  6.03596      1.06981  2.3056   0.248658  2.38373  0.224398  
1 1 1 65 18 11 o 0.727561 0.304852  0.249434     0.746593 0.442627     1.07568  0.0698633    1.03706  0.866979 0.364716  0.785387 0.344597  
1 1 1 65 18 12 o 1.19253  0.314178  1.66895      0.759864 1.32969      1.13479  1.94471      1.02309  1.07628  0.398121  1.25589  0.377211  
1 1 1 65 18 13 o 2.59923  0.161788  7.01679      0.841048 5.91507      1.21279  8.03751      1.16736  2.31844  0.261552  2.74542  0.212601  
1 1 1 65 18 14 o 0.738735 0.311098  0.291086     0.784028 -0.334285    1.20875  0.745281     1.03012  0.758299 0.347997  0.902669 0.365783  
1 1 1 65 18 15 o 0.99102  0.334212  1.18532      0.78589  1.8969       1.14963  0.561074     1.07677  1.19169  0.404223  0.862042 0.363877  
1 1 1 65 18 16 o 2.25832  0.191275  5.45072      0.863917 4.01746      1.19545  7.0175       1.24989  1.80056  0.344264  2.50766  0.249215  
1 1 1 65 18 17 o 2.27672  0.189082  5.55048      0.860972 5.07791      1.26046  5.96383      1.17883  2.07098  0.304316  2.29646  0.256661  
1 1 1 65 18 18 o 1.42593  0.318937  2.57078      0.886595 1.47439      1.21637  3.81347      1.29499  1.03332  0.40493   1.65266  0.396311  
1 1 1 65 18 19 o 0.740186 0.319152  0.38293      0.859596 0.168962     1.26263  0.567775     1.17356  0.787011 0.358972  0.832135 0.365832  
1 1 1 65 18 20 o 1.28964  0.340356  2.27695      0.890789 3.14515      1.28705  1.47867      1.23414  1.40787  0.423129  0.996737 0.401823  
1 1 1 65 18 21 o 0.633246 0.295647  -0.200584    0.920484 -0.357688    1.32044  -0.0520676   1.28385  0.706323 0.337178  0.731597 0.343354  
1 1 1 65 18 22 o 0.56046  0.273004  -0.860668    0.984609 -0.112159    1.41796  -1.55764     1.36827  0.718993 0.344698  0.599498 0.297701  
1 1 1 65 18 23 o 0.736795 0.327692  0.541794     0.975733 2.17197      1.36574  -1.15777     1.3945   1.02319  0.418886  0.628144 0.30936   
1 1 1 65 18 24 o 0.577199 0.28062   -0.531986    1.02825  -2.1896      1.44833  1.15261      1.46007  0.551021 0.277934  0.790147 0.369989  
1 1 1 65 19 0  o 1.69656  0.319875  3.28892      0.971245 3.28892      0.971245 3.28892      0.971245 1.7632   0.200667  ?        ?         
1 1 1 65 19 1  o 2.76976  0.116855  7.78071      0.64732  6.79062      0.917038 8.76397      0.913869 2.5637   0.17885   2.9236   0.156292  
1 1 1 65 19 2  o 2.98967  0.110363  9.05268      0.659899 9.10801      0.900959 8.98864      0.969256 2.98247  0.151043  2.95673  0.163907  
1 1 1 65 19 3  o 4.95077  0.0930145 24.7371      0.920986 23.0637      1.21046  27.0376      1.41926  4.7615   0.127109  5.14772  0.137853  
1 1 1 65 19 4  o 1.94513  0.161929  3.89237      0.629944 4.01281      0.816053 3.71478      0.990953 1.95697  0.208499  1.85602  0.266956  
1 1 1 65 19 5  o 1.2386   0.245827  1.68556      0.58732  1.91685      0.749274 1.317        0.945845 1.29972  0.29494   1.0767   0.36665   
1 1 1 65 19 6  o 1.83711  0.155872  3.47034      0.572708 3.95577      0.705046 2.52874      0.981942 1.95221  0.180577  1.47007  0.34041   
1 1 1 65 19 7  o 1.65884  0.219939  2.91184      0.729685 4.05678      1.0477   1.83333      1.01685  1.93081  0.271311  1.23376  0.37717   
1 1 1 65 19 8  o 2.34168  0.167769  5.67347      0.785723 6.13097      1.12657  5.24014      1.0964   2.39609  0.235086  2.20704  0.248387  
1 1 1 65 19 9  o 2.56572  0.157549  6.78809      0.80845  6.52972      1.1632   7.02951      1.12442  2.47058  0.235412  2.57516  0.218321  
1 1 1 65 19 10 o 1.42179  0.276605  2.27931      0.758479 2.81547      1.08011  1.75772      1.06535  1.52869  0.359007  1.19813  0.389123  
1 1 1 65 19 11 o 0.563911 0.264429  -0.599208    0.755576 -1.02393     1.05098  -0.144864    1.08702  0.630029 0.30077   0.759106 0.341475  
1 1 1 65 19 12 o 0.509653 0.246404  -1.03405     0.766257 -1.6473      1.0882   -0.430948    1.07916  0.579245 0.283067  0.710011 0.327074  
1 1 1 65 19 13 o 1.26068  0.319994  1.91549      0.808521 0.895365     1.13214  2.9773       1.15504  0.951276 0.384296  1.5296   0.379014  
1 1 1 65 19 14 o 1.96709  0.211583  4.17977      0.832407 3.83533      1.13962  4.57371      1.21877  1.77428  0.333417  1.97646  0.308321  
1 1 1 65 19 15 o 1.46014  0.290482  2.52193      0.818179 2.10241      1.15731  2.94111      1.15685  1.24107  0.40557   1.49366  0.384938  
1 1 1 65 19 16 o 0.951304 0.345807  1.08895      0.852235 1.56488      1.19395  0.594579     1.21687  1.08497  0.406957  0.88232  0.380074  
1 1 1 65 19 17 o 2.37898  0.213279  6.2488       1.01477  7.06605      1.39516  5.33078      1.47869  2.43986  0.28591   1.98628  0.386001  
1 1 1 65 19 18 o 0.727863 0.313992  0.345286     0.832801 -0.587374    1.21021  1.18421      1.14778  0.685857 0.325753  0.94894  0.385502  
1 1 1 65 19 19 o 0.573508 0.272772  -0.587362    0.851192 -0.682445    1.25282  -0.505838    1.16006  0.679971 0.325511  0.675462 0.319923  
1 1 1 65 19 20 o 0.546318 0.264884  -0.930679    0.905295 -0.13325     1.2838   -1.71942     1.27679  0.731807 0.343433  0.590697 0.292133  
1 1 1 65 19 21 o 0.758049 0.332466  0.616909     0.96452  0.495411     1.344    0.745932     1.385    0.7803   0.361563  0.814485 0.373247  
1 1 1 65 19 22 o 0.668383 0.309392  0.118746     0.980927 1.24682      1.39722  -0.977663    1.37747  0.861108 0.387264  0.63465  0.312484  
1 1 1 65 19 23 o 0.748179 0.330434  0.704951     0.969818 1.40352      1.36359  -0.0101386   1.37961  0.860342 0.384874  0.699365 0.336428  
1 1 1 65 20 0  o 1.71161  0.31436   3.34303      0.967591 3.34303      0.967591 3.34303      0.967591 1.77746  0.19807   ?        ?         
1 1 1 65 20 1  f 1.19097  0.268791  1.58826      0.625083 1.05969      0.867541 2.15894      0.901435 0.988966 0.34994   1.35992  0.33352   
1 1 1 65 20 2  o 3.87227  0.0981134 15.1624      0.759844 15.1067      1.00529  15.2366      1.16052  3.84871  0.1306    3.85288  0.150604  
1 1 1 65 20 3  o 3.01095  0.112101  9.20003      0.67506  9.72154      0.889722 8.49252      1.03632  3.08036  0.144418  2.85946  0.181209  
1 1 1 65 20 4  o 3.26964  0.104707  10.8312      0.68471  10.7369      0.897096 10.9626      1.05976  3.23982  0.138448  3.25991  0.162544  
1 1 1 65 20 5  o 1.50951  0.192686  2.38192      0.581722 2.34214      0.73519  2.44853      0.95132  1.45308  0.262599  1.44542  0.335294  
1 1 1 65 20 6  o 1.84594  0.195744  3.56898      0.722664 3.64548      1.06683  3.50411      0.982386 1.81492  0.293905  1.79054  0.274327  
1 1 1 65 20 7  o 2.62979  0.148681  7.1078       0.781998 6.88603      1.12985  7.31172      1.08344  2.54639  0.221852  2.6348   0.205602  
1 1 1 65 20 8  o 3.65072  0.126655  13.6054      0.924763 12.0689      1.31003  15.1315      1.3056   3.39258  0.193073  3.81786  0.170987  
1 1 1 65 20 9  o 1.18064  0.327503  1.65176      0.799925 1.01956      1.12693  2.29377      1.13565  0.998303 0.390055  1.35104  0.395351  
1 1 1 65 20 10 o 1.97459  0.199727  4.12384      0.788758 3.8545       1.11638  4.39231      1.11457  1.84529  0.302493  1.98605  0.2806    
1 1 1 65 20 11 o 3.53607  0.12655   12.8129      0.894979 11.0429      1.23647  14.7606      1.29708  3.23306  0.191224  3.75648  0.172646  
1 1 1 65 20 12 o 0.986571 0.331741  1.15484      0.774311 1.87987      1.12221  0.495996     1.06976  1.19913  0.399372  0.853816 0.361659  
1 1 1 65 20 13 o 2.47556  0.180606  6.49135      0.894203 4.62308      1.22294  8.63779      1.31082  1.98573  0.307931  2.80296  0.233827  
1 1 1 65 20 14 o 2.14498  0.199797  4.94788      0.857123 5.24683      1.20213  4.63875      1.22243  2.1376   0.281187  1.98448  0.307998  
1 1 1 65 20 15 o 0.721795 0.311483  0.22874      0.820085 1.43179      1.13654  -1.07797     1.18449  1.05132  0.396484  0.650131 0.312497  
1 1 1 65 20 16 o 1.30901  0.337921  2.23089      0.890476 2.85531      1.31049  1.69527      1.21372  1.37627  0.4297    1.08887  0.40994   
1 1 1 65 20 17 o 1.31947  0.323189  2.27073      0.847273 1.70921      1.17895  2.87054      1.21848  1.07132  0.403875  1.38013  0.411081  
1 1 1 65 20 18 o 1.14419  0.348772  1.83276      0.870339 1.62726      1.26961  2.01495      1.19543  1.0305   0.410645  1.12989  0.409674  
1 1 1 65 20 19 o 0.948775 0.354466  1.26659      0.904037 2.1114       1.32111  0.522622     1.23976  1.11511  0.425426  0.816633 0.366108  
1 1 1 65 20 20 o 0.951366 0.359179  1.44222      0.933577 2.21293      1.33462  0.703772     1.30639  1.06677  0.422305  0.808854 0.367914  
1 1 1 65 20 21 o 1.40448  0.356475  3.07299      1.00342  0.956187     1.35015  5.68476      1.49971  0.818989 0.372925  1.80872  0.42191   
1 1 1 65 20 22 o 0.730971 0.325044  0.563313     0.959646 -0.445096    1.36943  1.53632      1.34518  0.669801 0.325077  0.898081 0.393263  
1 1 1 65 20 23 o 1.0866   0.38707   2.49416      1.063    4.56456      1.55566  0.680778     1.4559   1.28085  0.467052  0.722139 0.346949  
1 1 1 65 21 0  o 2.55871  0.208935  6.84772      1.0528   6.84772      1.0528   6.84772      1.0528   2.5884   0.144841  ?        ?         
1 1 1 65 21 1  o 3.74592  0.0996371 14.2037      0.746464 15.6873      1.04386  12.6511      1.06787  3.91815  0.133208  3.50715  0.152242  
1 1 1 65 21 2  o 1.34797  0.246629  2.00196      0.640156 2.52969      0.835283 1.25077      0.996553 1.49593  0.289519  1.05334  0.374822  
1 1 1 65 21 3  o 1.36607  0.218859  1.97745      0.597956 2.37137      0.783793 1.42895      0.924889 1.45213  0.279864  1.10371  0.362565  
1 1 1 65 21 4  o 2.15317  0.142357  4.75408      0.613036 4.56271      0.7869   5.04956      0.97779  2.08994  0.188259  2.17915  0.224351  
1 1 1 65 21 5  o 0.813539 0.285233  0.686132     0.575197 1.46283      0.722453 -0.658663    0.95063  1.12169  0.31127   0.63988  0.299405  
1 1 1 65 21 6  f 2.51259  0.150667  6.50124      0.757127 6.24127      1.11668  6.72244      1.03004  2.4146   0.231235  2.52444  0.204014  
1 1 1 65 21 7  f 3.35775  0.131243  11.538       0.881364 11.6958      1.22189  11.3669      1.27253  3.34474  0.182658  3.28866  0.193472  
1 1 1 65 21 8  o 4.46307  0.121268  20.3374      1.08245  19.2184      1.50334  21.5422      1.55987  4.29093  0.175176  4.54688  0.171532  
1 1 1 65 21 9  o 2.30615  0.182737  5.58687      0.842842 6.21394      1.22417  5.02171      1.16217  2.37683  0.257521  2.12434  0.273535  
1 1 1 65 21 10 o 1.53766  0.25304   2.60596      0.778181 1.84364      1.09991  3.36995      1.10112  1.19631  0.395385  1.66725  0.341983  
1 1 1 65 21 11 o 0.612174 0.278587  -0.246199    0.75103  -0.7836      1.10082  0.221748     1.02723  0.663571 0.31317   0.788414 0.344461  
1 1 1 65 21 12 o 2.56385  0.165813  6.90514      0.850238 7.37664      1.25391  6.50385      1.15679  2.57987  0.243018  2.42699  0.238317  
1 1 1 65 21 13 o 1.28344  0.324969  2.0438       0.835398 2.07128      1.14207  2.01219      1.22516  1.23181  0.402892  1.20511  0.416875  
1 1 1 65 21 14 o 2.36421  0.186533  5.98017      0.882006 5.9857       1.20461  5.97378      1.29498  2.2924   0.26274   2.26483  0.285889  
1 1 1 65 21 15 o 1.29251  0.329945  2.15561      0.855949 2.14296      1.24225  2.16703      1.18106  1.19694  0.419221  1.21431  0.409711  
1 1 1 65 21 16 o 0.96435  0.344226  1.23782      0.841079 0.193955     1.17909  2.31924      1.20012  0.777771 0.352435  1.22767  0.413003  
1 1 1 65 21 17 o 1.14091  0.34799   1.81883      0.866258 2.07147      1.25726  1.5905       1.19524  1.13433  0.419162  1.02674  0.401593  
1 1 1 65 21 18 o 0.899652 0.34799   1.08536      0.892305 0.614904     1.2769   1.53436      1.24744  0.836646 0.373404  0.998944 0.403457  
1 1 1 65 21 19 o 0.769884 0.32895   0.682956     0.898426 1.49348      1.29025  -0.0799249   1.25176  0.93657  0.396972  0.70931  0.33452   
1 1 1 65 21 20 o 0.609855 0.288121  -0.256825    0.935578 -0.0191091   1.31598  -0.49976     1.33035  0.707791 0.337576  0.665098 0.322095  
1 1 1 65 21 21 o 0.515236 0.254292  -1.2493      0.955023 -1.27165     1.31768  -1.22457     1.38613  0.603775 0.29816   0.620535 0.306285  
1 1 1 65 21 22 o 0.546425 0.267613  -0.729573    0.986706 0.90367      1.42398  -2.23804     1.3685   0.754641 0.35616   0.530673 0.268187  
1 1 1 65 22 0  o 0.686965 0.410431  0.673865     0.977676 0.673865     0.977676 0.673865     0.977676 0.655266 0.363606  ?        ?         
1 1 1 65 22 1  o 3.05245  0.116266  9.48208      0.70979  8.65023      0.984898 10.381       1.02382  2.8865   0.170604  3.16812  0.161582  
1 1 1 65 22 2  o 2.2915   0.142412  5.39121      0.652676 5.23351      0.887028 5.57739      0.963789 2.23011  0.198875  2.29572  0.20991   
1 1 1 65 22 3  o 1.7582   0.173957  3.21594      0.611705 3.87447      0.800203 2.29007      0.948823 1.91316  0.209131  1.3829   0.34404   
1 1 1 65 22 4  o 3.66333  0.105125  13.6214      0.770216 13.6865      1.07064  13.5515      1.10886  3.64634  0.146811  3.62387  0.152995  
1 1 1 65 22 5  o 1.30816  0.282587  1.95958      0.718347 1.91647      1.06058  1.99613      0.976419 1.23922  0.386495  1.27442  0.364559  
1 1 1 65 22 6  o 1.52516  0.251108  2.53957      0.765959 1.30987      1.09425  3.72096      1.07254  1.06074  0.391229  1.8176   0.295042  
1 1 1 65 22 7  o 0.888016 0.332472  0.821987     0.796168 0.0907284    1.11578  1.58052      1.1364   0.800316 0.35382   1.12897  0.400407  
1 1 1 65 22 8  o 0.77818  0.314557  0.475205     0.759159 0.483739     1.0921   0.467224     1.05604  0.860884 0.365073  0.849537 0.359563  
1 1 1 65 22 9  o 1.21909  0.316033  1.79507      0.776771 2.18508      1.14447  1.46194      1.0577   1.28417  0.401684  1.08193  0.386034  
1 1 1 65 22 10 o 0.896654 0.324417  0.911287     0.749294 0.332938     1.08851  1.43214      1.03299  0.819562 0.356328  1.06446  0.381329  
1 1 1 65 22 11 o 1.6676   0.24229   3.08517      0.808085 4.08667      1.20165  2.25836      1.09184  1.81868  0.342913  1.30037  0.389499  
1 1 1 65 22 12 o 1.805    0.232884  3.59794      0.840709 3.07577      1.17779  4.14036      1.20042  1.52287  0.386019  1.82738  0.341131  
1 1 1 65 22 13 o 3.00792  0.203666  9.82402      1.22522  11.7141      1.56436  6.82499      1.97057  3.23201  0.24201   2.15134  0.47091   
1 1 1 65 22 14 o 0.500199 0.246134  -1.34998     0.852412 -0.509431    1.18137  -2.26286     1.23115  0.69646  0.327439  0.560554 0.278914  
1 1 1 65 22 15 o 1.90928  0.229539  4.13984      0.876507 4.12397      1.25462  4.15497      1.22505  1.73136  0.37298   1.7546   0.36146   
1 1 1 65 22 16 o 2.50811  0.186603  6.89165      0.936042 6.75866      1.33584  7.01994      1.31201  2.35434  0.283698  2.4181   0.271289  
1 1 1 65 22 17 o 1.01488  0.348523  1.46166      0.854999 1.2655       1.2163   1.65328      1.20213  0.945903 0.392253  1.02837  0.402643  
1 1 1 65 22 18 o 0.693145 0.307875  0.319824     0.858179 -0.0433011   1.21312  0.683583     1.21418  0.708018 0.332563  0.803733 0.361259  
1 1 1 65 22 19 o 0.751393 0.328171  0.639548     0.931689 1.23071      1.36086  0.117994     1.27823  0.866938 0.386243  0.719633 0.338993  
1 1 1 65 22 20 o 1.1748   0.368485  2.27628      0.962229 0.715725     1.31582  4.07008      1.41073  0.793411 0.363681  1.45343  0.444237  
1 1 1 65 22 21 o 0.690426 0.317068  0.409849     1.00535  0.607389     1.40268  0.201171     1.44168  0.74421  0.352157  0.708708 0.341652  
1 1 1 65 23 0  o 0.554127 0.355008  0.225111     0.856617 0.225111     0.856617 0.225111     0.856617 0.491196 0.307422  ?        ?         
1 1 1 65 23 1  o 1.15477  0.285104  1.54272      0.65537  1.79348      0.869666 1.21315      0.996995 1.21682  0.342773  1.02826  0.374001  
1 1 1 65 23 2  o 2.01903  0.159754  4.22891      0.645096 4.3272       0.857751 4.10092      0.978794 2.01463  0.212881  1.93683  0.252679  
1 1 1 65 23 3  o 1.66776  0.22512   2.99166      0.750891 2.97536      1.11989  3.00497      1.01211  1.5532   0.366073  1.59053  0.32929   
1 1 1 65 23 4  o 1.10447  0.319369  1.45574      0.745394 0.907921     1.14217  1.86215      0.983766 0.963753 0.387373  1.22045  0.370562  
1 1 1 65 23 5  o 2.96107  0.138248  9.02935      0.818726 8.54129      1.22444  9.42401      1.10107  2.82049  0.217061  2.99166  0.184023  
1 1 1 65 23 6  o 1.30823  0.306648  2.03146      0.789203 1.31755      1.1201   2.73527      1.11215  1.05076  0.394162  1.46655  0.377119  
1 1 1 65 23 7  o 4.09315  0.136588  17.2814      1.11815  16.7281      1.57345  17.8459      1.58927  3.95932  0.198702  4.09544  0.194029  
1 1 1 65 23 8  o 0.714529 0.303074  0.25888      0.752931 -0.233975    1.09623  0.699013     1.03594  0.730997 0.333766  0.882593 0.363656  
1 1 1 65 23 9  o 1.97696  0.220259  4.25862      0.870886 4.46544      1.22169  4.04493      1.2418   1.9437   0.314268  1.79446  0.358689  
1 1 1 65 23 10 o 0.717746 0.308569  0.226766     0.799112 -0.543034    1.15869  0.925042     1.10355  0.703991 0.329638  0.93623  0.37892   
1 1 1 65 23 11 o 1.29978  0.318044  2.08666      0.821147 2.75579      1.14561  1.37962      1.17761  1.43097  0.389802  1.04059  0.400336  
1 1 1 65 23 12 o 0.929248 0.340695  1.05385      0.828761 1.94553      1.176    0.174068     1.16813  1.16646  0.407951  0.792234 0.355267  
1 1 1 65 23 13 o 0.861263 0.344635  0.832928     0.898322 -0.203799    1.22442  2.04152      1.32202  0.741906 0.344283  1.15219  0.429008  
1 1 1 65 23 14 o 2.25657  0.213784  5.70023      0.964838 6.36948      1.30365  4.88963      1.43473  2.29469  0.284057  1.84865  0.399384  
1 1 1 65 23 15 o 0.565692 0.269021  -0.58547     0.827713 -0.254587    1.17976  -0.90623     1.16158  0.709429 0.332262  0.634665 0.306133  
1 1 1 65 23 16 o 1.20075  0.33839   1.99971      0.847393 1.05254      1.23284  2.84796      1.16668  0.905288 0.386025  1.35827  0.401758  
1 1 1 65 23 17 o 0.559214 0.268237  -0.588651    0.861478 -0.462557    1.20159  -0.722017    1.23576  0.661978 0.317352  0.644031 0.311638  
1 1 1 65 23 18 o 1.23427  0.358157  2.40252      0.935842 2.62976      1.35333  2.19427      1.29552  1.12774  0.430483  1.04818  0.415718  
1 1 1 65 23 19 o 1.46821  0.338854  3.18695      0.975542 2.96593      1.37254  3.41259      1.38683  1.18862  0.438185  1.29105  0.443824  
1 1 1 65 23 20 o 0.600425 0.287535  -0.317982    0.979782 0.991716     1.38974  -1.61228     1.38154  0.800302 0.369617  0.581151 0.290036  
1 1 1 65 24 0  o 2.25277  0.213088  5.3871       0.940343 5.3871       0.940343 5.3871       0.940343 2.28769  0.14671   ?        ?         
1 1 1 65 24 1  o 2.04648  0.189697  4.43037      0.776422 4.16643      1.17417  4.63545      1.035    1.89942  0.309087  2.04973  0.252472  
1 1 1 65 24 2  o 1.41502  0.277803  2.3049       0.758173 0.979992     1.15042  3.32219      1.00806  0.972184 0.389596  1.67759  0.312106  
1 1 1 65 24 3  o 4.9158   0.104809  24.6038      1.03044  23.6655      1.50676  25.4282      1.41235  4.76651  0.158057  4.95954  0.142388  
1 1 1 65 24 4  o 0.913494 0.325085  0.948116     0.749635 2.08425      1.13216  0.0611839    1.00032  1.25425  0.40053   0.753216 0.333747  
1 1 1 65 24 5  o 2.0782   0.190167  4.59347      0.790411 5.29505      1.14919  3.9636       1.08887  2.17074  0.264699  1.8548   0.293528  
1 1 1 65 24 6  o 1.34253  0.299305  2.15351      0.782903 1.15023      1.14723  3.02801      1.07107  0.99641  0.392457  1.552    0.352938  
1 1 1 65 24 7  o 2.11806  0.19418   4.79979      0.82257  6.50559      1.19453  3.26144      1.13438  2.41796  0.247011  1.60119  0.362597  
1 1 1 65 24 8  o 1.14693  0.326226  1.63895      0.784032 0.92468      1.11721  2.33209      1.10055  0.938032 0.380595  1.31906  0.39022   
1 1 1 65 24 9  o 2.99001  0.156103  9.36221      0.933495 8.18855      1.32545  10.5173      1.31494  2.70879  0.244658  3.11123  0.211321  
1 1 1 65 24 10 f 0.469521 0.231963  -1.49934     0.79973  -2.668       1.10777  -0.227295    1.15573  0.50136  0.251955  0.736343 0.33891   
1 1 1 65 24 11 o 0.698046 0.306557  0.159683     0.82229  -0.469224    1.16567  0.782636     1.16014  0.699125 0.327943  0.888816 0.376563  
1 1 1 65 24 12 o 0.930665 0.341986  1.11326      0.835462 0.311319     1.16202  1.97139      1.20204  0.796158 0.355748  1.14176  0.411118  
1 1 1 65 24 13 o 0.515713 0.250805  -1.01315     0.822472 -1.8377      1.15747  -0.172209    1.16891  0.558914 0.276834  0.720835 0.335229  
1 1 1 65 24 14 o 1.24099  0.323398  2.05219      0.810692 1.05104      1.13368  3.09991      1.15975  0.908832 0.377901  1.45067  0.39088   
1 1 1 65 24 15 f 1.56175  0.294509  3.0919       0.88624  4.01529      1.25662  2.1781       1.25007  1.66132  0.385347  1.1452   0.418567  
1 1 1 65 24 16 o 0.689203 0.305825  0.313574     0.844037 0.819173     1.18652  -0.20436     1.20091  0.822902 0.364199  0.688038 0.325704  
1 1 1 65 24 17 o 0.805627 0.331605  0.903327     0.860503 0.169927     1.1924   1.70035      1.24305  0.715108 0.334764  0.956521 0.396593  
1 1 1 65 24 18 o 0.721769 0.321947  0.484402     0.948003 -0.35747     1.32979  1.35442      1.35184  0.676977 0.32679   0.880759 0.38941   
1 1 1 65 24 19 o 0.694608 0.313807  0.4115       0.927874 0.917574     1.39803  0.0130627    1.24048  0.80005  0.369965  0.685953 0.3273    
1 1 1 65 24 20 o 1.01785  0.373129  2.12462      0.994039 0.8727       1.38804  3.44266      1.42423  0.738568 0.349878  1.11752  0.438116  
1 1 1 65 25 0  o 0.72797  0.446544  0.809429     1.22207  0.809429     1.22207  0.809429     1.22207  0.698729 0.399175  ?        ?         
1 1 1 65 25 1  o 2.57171  0.174225  6.97892      0.896113 6.42431      1.23699  7.59143      1.29994  2.39325  0.258433  2.6119   0.24885   
1 1 1 65 25 2  o 1.5903   0.244263  2.80477      0.776904 2.10507      1.18135  3.338        1.03129  1.24243  0.409761  1.66072  0.321987  
1 1 1 65 25 3  o 1.31408  0.300233  2.07066      0.772125 2.45603      1.17683  1.77938      1.02313  1.34442  0.404715  1.16468  0.381335  
1 1 1 65 25 4  o 1.06639  0.329258  1.4103       0.772321 2.44221      1.15779  0.582994     1.03668  1.34308  0.400847  0.854563 0.358699  
1 1 1 65 25 5  o 1.91933  0.207935  3.98401      0.798193 6.81592      1.19331  1.69112      1.07376  2.47992  0.240595  1.1314   0.390375  
1 1 1 65 25 6  o 1.77439  0.224256  3.45122      0.795834 2.38321      1.16744  4.37837      1.08774  1.31745  0.404417  1.95317  0.278455  
1 1 1 65 25 7  f 0.880362 0.332332  0.863498     0.799153 1.57445      1.165    0.231637     1.09829  1.08983  0.403334  0.797197 0.351919  
1 1 1 65 25 8  o 0.641841 0.291761  -0.172422    0.818687 0.813489     1.18217  -1.08103     1.13487  0.911997 0.382937  0.631722 0.304192  
1 1 1 65 25 9  o 1.36843  0.327324  2.3859       0.885111 2.12852      1.27976  2.62191      1.22548  1.19427  0.424777  1.33922  0.415009  
1 1 1 65 25 10 o 1.47869  0.298505  2.70028      0.851869 2.74168      1.23872  2.66314      1.17338  1.3527   0.416854  1.35034  0.403644  
1 1 1 65 25 11 o 0.722978 0.313435  0.313887     0.837687 0.866814     1.13818  -0.339595    1.23736  0.884526 0.373775  0.720218 0.337845  
1 1 1 65 25 12 f 3.40822  0.148625  12.314       1.01309  11.1918      1.41448  13.496       1.4517   3.13699  0.225451  3.4746   0.208902  
1 1 1 65 25 13 o 1.53669  0.298985  2.99203      0.886104 1.84808      1.21548  4.28961      1.29453  1.08071  0.409299  1.73309  0.383665  
1 1 1 65 25 14 o 1.31488  0.334388  2.37991      0.881641 1.71757      1.23595  3.06609      1.258    1.03089  0.406934  1.37249  0.419502  
1 1 1 65 25 15 o 1.25209  0.349044  2.35369      0.906403 3.35665      1.31213  1.43827      1.25357  1.36222  0.430805  0.927919 0.392195  
1 1 1 65 25 16 o 0.604399 0.283919  -0.213298    0.884589 0.237421     1.23536  -0.687579    1.26724  0.728073 0.340817  0.641019 0.311611  
1 1 1 65 25 17 o 0.816759 0.338843  0.970466     0.908217 0.793074     1.35525  1.11507      1.22363  0.803009 0.368502  0.845313 0.372529  
1 1 1 65 25 18 o 1.09507  0.364071  2.06093      0.932585 2.36757      1.34552  1.77744      1.29375  1.03395  0.418431  0.932217 0.396413  
1 1 1 65 25 19 o 0.925461 0.360508  1.73511      0.96117  0.179092     1.37575  3.21886      1.34343  0.673881 0.326671  1.11064  0.427529  
1 1 1 65 26 0  o 2.07673  0.326803  5.00006      1.25674  5.00006      1.25674  5.00006      1.25674  2.16362  0.209897  ?        ?         
1 1 1 65 26 1  o 2.0851   0.210755  4.71726      0.878893 5.25422      1.28962  4.25157      1.20099  2.11215  0.305286  1.85887  0.3353    
1 1 1 65 26 2  o 1.65604  0.258837  3.09553      0.857288 2.86435      1.26625  3.29118      1.16486  1.43434  0.416741  1.59317  0.371973  
1 1 1 65 26 3  o 3.06555  0.16473   9.89091      1.00998  10.3344      1.36079  9.34704      1.50703  3.07233  0.221459  2.87213  0.262355  
1 1 1 65 26 4  o 2.84743  0.158374  8.50494      0.901916 7.52943      1.31218  9.37851      1.24173  2.58592  0.253717  2.93668  0.211418  
1 1 1 65 26 5  o 1.05597  0.336393  1.41386      0.798963 1.3322       1.18789  1.48131      1.07966  1.02439  0.400421  1.06086  0.388869  
1 1 1 65 26 6  o 0.648325 0.292482  -0.0910098   0.803219 -0.290488    1.19599  0.0728853    1.08408  0.735644 0.340949  0.758224 0.34105   
1 1 1 65 26 7  o 0.943344 0.341073  1.11772      0.828086 0.193112     1.23321  1.87697      1.1175   0.803304 0.362404  1.14605  0.397975  
1 1 1 65 26 8  o 2.1794   0.210249  5.25219      0.916434 4.90364      1.30898  5.58728      1.28346  1.93975  0.350228  2.14568  0.29908   
1 1 1 65 26 9  o 1.08414  0.353258  1.61912      0.878013 1.65234      1.27945  1.58955      1.2071   1.05307  0.414557  1.04221  0.404412  
1 1 1 65 26 10 o 2.25652  0.212076  5.7077       0.957106 3.76552      1.40365  7.39541      1.30847  1.54502  0.43555   2.50052  0.261639  
1 1 1 65 26 11 o 0.740877 0.320751  0.39405      0.874961 0.754368     1.29743  0.0934861    1.18497  0.87008  0.3835    0.755699 0.345863  
1 1 1 65 26 12 o 0.727888 0.317132  0.358958     0.865669 1.73054      1.25207  -0.897113    1.19819  1.04434  0.410422  0.64149  0.309793  
1 1 1 65 26 13 o 0.583844 0.278657  -0.555214    0.900774 -0.0598715   1.32452  -0.981439    1.22864  0.741309 0.348063  0.631557 0.306954  
1 1 1 65 26 14 o 0.483623 0.239215  -1.31458     0.856936 -0.80062     1.24061  -1.78355     1.18507  0.63454  0.308416  0.548052 0.272825  
1 1 1 65 26 15 o 1.18334  0.351529  2.20108      0.891822 1.6822       1.26604  2.71215      1.25647  0.944619 0.396445  1.17513  0.420601  
1 1 1 65 26 16 o 0.734389 0.319028  0.596296     0.871174 1.08532      1.27326  0.165865     1.19455  0.841439 0.37428   0.710827 0.333171  
1 1 1 65 26 17 o 0.850354 0.341861  1.16938      0.889805 0.625849     1.28695  1.66718      1.23162  0.760674 0.352982  0.919365 0.388671  
1 1 1 65 26 18 o 0.661158 0.303621  0.413135     0.92184  0.184915     1.32214  0.629037     1.28597  0.66982  0.32381   0.710543 0.33668   
1 1 1 65 27 0  o 1.63537  0.417417  3.51446      1.1784   3.51446      1.1784   3.51446      1.1784   1.77421  0.248555  ?        ?         
1 1 1 65 27 1  o 0.6718   0.299553  0.00779473   0.820065 0.663769     1.16649  -0.633229    1.15312  0.875434 0.374462  0.681685 0.321368  
1 1 1 65 27 2  o 2.80943  0.174221  8.41453      0.978922 10.9495      1.33445  5.46104      1.44042  3.15903  0.211213  2.08108  0.346075  
1 1 1 65 27 3  o 2.30631  0.214073  5.86334      0.987435 7.19394      1.33229  4.24156      1.47086  2.49059  0.267465  1.70841  0.430382  
1 1 1 65 27 4  o 1.64419  0.300382  3.30802      0.951081 4.80463      1.30262  1.59928      1.39188  1.92742  0.350898  1.06118  0.427173  
1 1 1 65 27 5  o 1.3877   0.324619  2.46836      0.885821 1.77813      1.18846  3.3311       1.32872  1.10352  0.407581  1.49399  0.424605  
1 1 1 65 27 6  o 1.72707  0.251717  3.4495       0.869465 1.60275      1.26927  5.08218      1.19344  1.0484   0.412846  2.05075  0.290978  
1 1 1 65 27 7  o 1.72319  0.264442  3.50314      0.911364 3.3265       1.38177  3.63916      1.21248  1.44802  0.439074  1.6105   0.38176   
1 1 1 65 27 8  o 0.710935 0.311299  0.269178     0.842806 0.623914     1.25877  -0.0190694   1.13468  0.84912  0.375549  0.732608 0.33661   
1 1 1 65 27 9  o 0.807361 0.334616  0.687635     0.884347 -0.0779609   1.25573  1.44098      1.24564  0.747969 0.347696  0.992042 0.402136  
1 1 1 65 27 10 o 0.888824 0.355852  1.01769      0.958474 -0.0487552   1.4556   1.83404      1.27354  0.78331  0.367258  1.069    0.415272  
1 1 1 65 27 11 o 1.12262  0.352392  1.81481      0.879789 3.25053      1.34374  0.737571     1.16396  1.39493  0.435035  0.841207 0.367106  
1 1 1 65 27 12 o 1.09339  0.356632  1.84316      0.894865 0.430521     1.34552  2.96357      1.19829  0.788482 0.36398   1.32189  0.410529  
1 1 1 65 27 13 o 0.868126 0.345841  1.135        0.900273 1.60973      1.28389  0.675788     1.26273  0.945221 0.398081  0.795451 0.36179   
1 1 1 65 27 14 o 0.571549 0.27127   -0.345144    0.837938 -0.982643    1.19821  0.265037     1.17226  0.598693 0.293702  0.717732 0.334527  
1 1 1 65 27 15 o 1.25768  0.34513   2.41819      0.894019 1.97431      1.29001  2.82842      1.24013  0.998428 0.407654  1.21267  0.419421  
1 1 1 65 27 16 o 0.643432 0.297373  0.125391     0.901585 -1.00418     1.28285  1.22786      1.26736  0.603637 0.297288  0.837215 0.372877  
1 1 1 65 27 17 o 0.478772 0.237941  -1.17117     0.88292  -1.41075     1.28873  -0.959238    1.21206  0.552328 0.276164  0.56668  0.281238  
1 1 1 65 28 0  o 0.575892 0.389951  -0.0300951   1.27895  -0.0300951   1.27895  -0.0300951   1.27895  0.499372 0.334858  ?        ?         
1 1 1 65 28 1  o 2.1102   0.217624  4.9775       0.918462 4.25326      1.22257  5.91582      1.39159  1.793    0.353515  2.17157  0.320411  
1 1 1 65 28 2  o 1.69866  0.262686  3.38511      0.89243  3.22545      1.20781  3.57709      1.3244   1.49482  0.397152  1.54918  0.417835  
1 1 1 65 28 3  o 1.37885  0.327967  2.48567      0.892486 0.570605     1.17522  5.09493      1.37179  0.837226 0.367091  1.94347  0.366334  
1 1 1 65 28 4  o 1.31482  0.338139  2.31485      0.894048 3.8183       1.22139  0.579372     1.31225  1.65617  0.377071  0.854295 0.379984  
1 1 1 65 28 5  o 2.43748  0.199732  6.57525      0.973687 6.07349      1.28218  7.25879      1.49654  2.23197  0.287231  2.40239  0.311469  
1 1 1 65 28 6  o 0.797255 0.334502  0.629617     0.900893 -0.899428    1.18141  2.75419      1.39259  0.641728 0.309341  1.27556  0.44414   
1 1 1 65 28 7  o 1.2284   0.362361  2.15266      0.950332 2.43386      1.21782  1.71478      1.51971  1.23515  0.416038  1.0359   0.434533  
1 1 1 65 28 8  o 0.874045 0.355169  0.955065     0.974523 0.894816     1.31657  1.02808      1.44935  0.889511 0.389288  0.919553 0.405316  
1 1 1 65 28 9  f 1.69907  0.270007  3.50019      0.917523 3.81058      1.26036  3.15023      1.33829  1.59904  0.39573   1.37328  0.435158  
1 1 1 65 28 10 o 0.986499 0.353131  1.46222      0.885716 0.629342     1.3431   2.10317      1.17822  0.823351 0.374117  1.10882  0.406253  
1 1 1 65 28 11 o 0.884118 0.345922  1.17496      0.88698  1.40255      1.27421  0.961016     1.23545  0.916862 0.39175   0.842963 0.372539  
1 1 1 65 28 12 o 0.846331 0.338594  1.06605      0.866861 1.18975      1.2775   0.960483     1.18014  0.864878 0.380949  0.826637 0.364871  
1 1 1 65 28 13 o 2.27771  0.211154  6.12493      0.961894 6.65689      1.38442  5.62847      1.33744  2.17259  0.318611  1.92331  0.360998  
1 1 1 65 28 14 o 0.878926 0.347417  1.22758      0.901987 0.457773     1.34542  1.85604      1.21563  0.760785 0.356048  0.981965 0.397587  
1 1 1 65 28 15 o 0.611298 0.287665  -0.083641    0.915884 0.838392     1.36597  -0.836727    1.2345   0.774451 0.36102   0.600641 0.295767  
1 1 1 65 28 16 o 0.952401 0.356497  1.77585      0.915286 1.67862      1.32871  1.86365      1.26264  0.837776 0.377161  0.876054 0.382332  
1 1 1 65 29 0  o 2.76834  0.281817  8.69048      1.52327  8.69048      1.52327  8.69048      1.52327  2.86178  0.190115  ?        ?         
1 1 1 65 29 1  o 2.03898  0.247427  4.85234      1.009    4.13062      1.39973  5.63303      1.4558   1.64305  0.423414  2.01593  0.375081  
1 1 1 65 29 2  o 0.721467 0.320482  0.225738     0.930171 0.288797     1.33157  0.165643     1.29992  0.808607 0.368774  0.787319 0.361134  
1 1 1 65 29 3  o 0.705407 0.314777  0.169466     0.907073 -0.0631095   1.28216  0.4025       1.28343  0.754625 0.351001  0.8155   0.36871   
1 1 1 65 29 4  o 2.26398  0.222084  5.82631      1.00559  5.09432      1.34776  6.74553      1.51032  1.92904  0.362669  2.27493  0.331949  
1 1 1 65 29 5  o 0.754142 0.326858  0.436158     0.910516 -0.344643    1.20718  1.46652      1.38674  0.702612 0.330525  0.989803 0.415138  
1 1 1 65 29 6  o 1.54797  0.316606  3.12811      0.946353 2.72506      1.2405   3.68926      1.46371  1.29686  0.419773  1.47126  0.45308   
1 1 1 65 29 7  o 1.98748  0.250339  4.69127      0.99509  3.75684      1.27365  6.15537      1.59427  1.56738  0.403883  2.0292   0.407178  
1 1 1 65 29 8  o 1.93967  0.25835   4.59829      1.00223  4.40499      1.28631  4.89695      1.59886  1.71081  0.385215  1.65005  0.464754  
1 1 1 65 29 9  o 0.866636 0.351698  1.11327      0.954271 0.347426     1.25132  2.17774      1.47525  0.758335 0.350422  1.03846  0.431399  
1 1 1 65 29 10 o 0.938578 0.362248  1.44717      0.965811 1.85921      1.37205  1.04248      1.35976  0.976765 0.411451  0.847479 0.381535  
1 1 1 65 29 11 o 0.75659  0.324279  0.710914     0.877875 0.560106     1.25005  0.857669     1.23313  0.763959 0.351961  0.803418 0.362427  
1 1 1 65 29 12 o 0.687161 0.308306  0.342075     0.880712 -0.0383193   1.25825  0.707447     1.23316  0.697328 0.331653  0.784749 0.357084  
1 1 1 65 29 13 o 1.25422  0.361974  2.55812      0.958442 2.76627      1.42225  2.38495      1.29724  1.10654  0.436613  1.06311  0.417772  
1 1 1 65 29 14 o 0.565918 0.272502  -0.389959    0.910669 -0.616864    1.33767  -0.19395     1.24327  0.624056 0.307401  0.644015 0.311796  
1 1 1 65 30 0  o 0.536892 0.374208  -0.452994    1.38093  -0.452994    1.38093  -0.452994    1.38093  0.45289  0.31538   ?        ?         
1 1 1 65 30 1  f 3.63317  0.170681  14.3114      1.24023  14.7687      1.81819  13.9135      1.69607  3.52041  0.258236  3.44187  0.246387  
1 1 1 65 30 2  o 1.3849   0.382027  2.84298      1.09191  2.74152      1.49995  2.95736      1.59258  1.2232   0.456665  1.24755  0.469602  
1 1 1 65 30 3  o 0.860488 0.362176  0.899745     1.06167  1.13999      1.53053  0.676939     1.47393  0.928553 0.411956  0.862433 0.391886  
1 1 1 65 30 4  o 0.891719 0.366841  1.08965      1.05252  0.32398      1.37603  2.16927      1.63397  0.798615 0.368438  1.06979  0.449745  
1 1 1 65 30 5  o 1.34784  0.358057  2.67847      0.981799 2.93781      1.33825  2.37618      1.44481  1.27299  0.436125  1.11338  0.439824  
1 1 1 65 30 6  o 0.807204 0.340701  0.835155     0.943851 0.99526      1.21197  0.588398     1.50461  0.853274 0.373466  0.816451 0.379941  
1 1 1 65 30 7  o 1.01408  0.372485  1.71398      0.991035 1.92321      1.30452  1.42841      1.52401  1.00927  0.410655  0.911193 0.407272  
1 1 1 65 30 8  o 0.671331 0.308305  0.13235      0.950599 -1.6595      1.26515  2.4555       1.44056  0.571256 0.284031  1.07418  0.43368   
1 1 1 65 30 9  o 0.782225 0.335689  0.811669     0.942814 1.28174      1.27963  0.253464     1.39444  0.870547 0.382366  0.743852 0.351579  
1 1 1 65 30 10 o 1.09229  0.376804  2.07728      1.00036  3.34301      1.39482  0.736623     1.4355   1.26432  0.444086  0.798965 0.371537  
1 1 1 65 30 11 o 0.715639 0.322944  0.428148     0.979957 -0.122686    1.35906  1.02469      1.41433  0.702566 0.336978  0.83324  0.380023  
1 1 1 65 30 12 o 0.771981 0.338128  0.837113     0.99494  1.46153      1.34915  0.0926644    1.47312  0.867222 0.385524  0.716698 0.345468  
1 1 1 65 30 13 o 1.03339  0.378283  2.22584      1.02137  1.28851      1.36828  3.40534      1.5349   0.784578 0.364032  1.06034  0.440234  
1 1 1 65 31 0  o 1.24657  0.592992  3.54738      1.67385  3.54738      1.67385  3.54738      1.67385  1.55345  0.440294  ?        ?         
1 1 1 65 31 1  o 1.01433  0.405426  1.88149      1.24118  1.44916      1.71751  2.35408      1.79569  0.919624 0.419247  1.02895  0.452441  
1 1 1 65 31 2  o 1.84011  0.298956  4.48439      1.10023  3.46025      1.44728  5.88656      1.69347  1.32129  0.453474  1.78863  0.468013  
1 1 1 65 31 3  o 0.796772 0.348217  0.770697     1.0504   0.0983943    1.46172  1.48858      1.51046  0.754054 0.358078  0.920948 0.40883   
1 1 1 65 31 4  o 0.62725  0.298292  -0.331706    1.01762  0.154166     1.38238  -0.906443    1.50349  0.746104 0.351775  0.673473 0.329954  
1 1 1 65 31 5  o 0.733003 0.330373  0.455239     1.02243  1.15836      1.37354  -0.418477    1.53113  0.862833 0.386125  0.709393 0.344117  
1 1 1 65 31 6  o 0.623551 0.297084  -0.304023    1.01354  0.248812     1.43796  -0.849855    1.42882  0.751391 0.356028  0.656668 0.321706  
1 1 1 65 31 7  o 1.28626  0.379887  2.78655      1.04388  0.723492     1.47468  4.85847      1.47785  0.795278 0.372293  1.60117  0.445474  
1 1 1 65 31 8  o 0.553466 0.269685  -0.838358    0.963701 -1.06964     1.32809  -0.581146    1.40055  0.619725 0.305253  0.669863 0.326171  
1 1 1 65 31 9  o 0.830231 0.348632  1.03526      0.979985 2.66596      1.37846  -0.631167    1.39348  1.11608  0.432352  0.664658 0.323942  
1 1 1 65 31 10 o 0.476194 0.239955  -2.14044     1.04503  -1.09208     1.41224  -3.40924     1.55363  0.624299 0.308386  0.535697 0.272834  
1 1 1 65 31 11 o 0.520903 0.256999  -1.01949     0.973324 -1.29375     1.30372  -0.674112    1.46298  0.571456 0.28471   0.634853 0.313666  
1 1 1 65 32 0  o 1.27233  0.642775  4.39195      2.00755  4.39195      2.00755  4.39195      2.00755  1.66139  0.49189   ?        ?         
1 1 1 65 32 1  o 0.633904 0.308595  -0.697703    1.2512   -2.76985     1.66016  2.02687      1.90366  0.589096 0.297227  0.939027 0.43327   
1 1 1 65 32 2  o 0.719724 0.336853  0.248658     1.20497  0.389181     1.74839  0.121528     1.66299  0.785464 0.378062  0.756955 0.365409  
1 1 1 65 32 3  o 0.761895 0.350269  0.578731     1.23061  0.847946     1.54759  0.11577      2.02945  0.812408 0.380503  0.781767 0.383104  
1 1 1 65 32 4  o 0.617438 0.300369  -0.700772    1.18124  -1.27164     1.48797  0.27215      1.94252  0.63372  0.313884  0.787468 0.383559  
1 1 1 65 32 5  o 0.984369 0.380477  1.74554      1.06628  0.916054     1.5726   2.45137      1.45066  0.825687 0.385857  1.05403  0.431645  
1 1 1 65 32 6  o 0.96829  0.375555  1.64277      1.04074  1.11508      1.57265  2.05393      1.38819  0.85238  0.393486  0.998526 0.416872  
1 1 1 65 32 7  o 0.892328 0.371899  1.38814      1.10191  1.36188      1.67545  1.40816      1.46277  0.867098 0.402515  0.876426 0.395081  
1 1 1 65 32 8  o 1.63491  0.363773  4.23386      1.15837  4.78903      1.68433  3.73563      1.59564  1.39399  0.488157  1.21535  0.466414  
1 1 1 65 32 9  o 0.692851 0.322929  0.429057     1.09237  1.33707      1.53301  -0.507547    1.55695  0.806749 0.378005  0.657633 0.324598  
1 1 1 65 32 10 o 0.844169 0.359514  1.47804      1.06696  1.79255      1.48809  1.1453       1.53063  0.835731 0.384617  0.764984 0.364667  
1 1 1 65 33 0  o 0.403419 0.298815  -2.92303     1.57713  -2.92303     1.57713  -2.92303     1.57713  0.314792 0.235014  ?        ?         
1 1 1 65 33 1  o 1.23398  0.419612  2.92557      1.23884  0.242323     1.75501  5.59038      1.74897  0.775712 0.374668  1.6017   0.495674  
1 1 1 65 33 2  o 0.778602 0.354293  0.694011     1.21406  1.42609      1.72485  -0.0247901   1.70914  0.87903  0.408189  0.749447 0.363554  
1 1 1 65 33 3  o 0.779012 0.356289  0.703127     1.25508  -0.0985657   1.86009  1.37318      1.70053  0.753594 0.368691  0.867879 0.403892  
1 1 1 65 33 4  o 1.09997  0.42696   2.6446       1.34568  1.93123      1.94784  3.29598      1.86127  0.90563  0.42465   1.07229  0.466074  
1 1 1 65 33 5  o 0.958405 0.398845  1.92456      1.26446  1.86484      1.84224  1.97776      1.73868  0.88963  0.416399  0.908706 0.417167  
1 1 1 65 33 6  o 0.844375 0.371223  1.38613      1.20847  1.12041      1.61855  1.72087      1.81662  0.796844 0.37764   0.847227 0.400839  
1 1 1 65 33 7  o 0.680876 0.321688  0.381125     1.16638  0.329488     1.57625  0.443618     1.73404  0.700141 0.341826  0.716182 0.351975  
1 1 1 65 34 0  o 0.682583 0.463151  1.22494      1.81704  1.22494      1.81704  1.22494      1.81704  0.69024  0.438645  ?        ?         
1 1 1 65 34 1  o 0.929285 0.383802  1.88082      1.15707  0.907149     1.63205  2.86481      1.64068  0.764797 0.367418  0.978628 0.431312  
1 1 1 65 34 2  o 1.00841  0.398048  2.3244       1.18253  2.30601      1.86506  2.33676      1.52921  0.868831 0.409334  0.916576 0.408868  
1 1 1 65 34 3  o 0.666794 0.317428  0.273276     1.15501  -0.00094636  1.68446  0.516621     1.58679  0.684205 0.337693  0.713843 0.347513  
1 1 1 65 34 4  o 0.919292 0.385265  1.99096      1.19281  2.8639       1.87635  1.39893      1.54522  0.900107 0.420962  0.789054 0.371994  
1 1 1 66 0  0  o 0.955072 0.476499  1.40352      1.09737  1.40352      1.09737  1.40352      1.09737  0.994249 0.401513  ?        ?         
1 1 1 66 0  1  o 5.07131  0.109375  25.8102      1.10818  25.8102      1.10818  25.8102      1.10818  5.07582  0.0772298 ?        ?         
1 1 1 66 0  2  o 0.712929 0.385193  0.754001     0.755506 0.754001     0.755506 0.754001     0.755506 0.709637 0.33529   ?        ?         
1 1 1 66 0  3  f 4.89465  0.103533  24.0377      1.01249  24.0377      1.01249  24.0377      1.01249  4.89873  0.0731107 ?        ?         
1 1 1 66 0  4  o 0.614614 0.354302  0.506665     0.687729 0.506665     0.687729 0.506665     0.687729 0.584603 0.310969  ?        ?         
1 1 1 66 0  5  o 2.16936  0.189012  4.84425      0.805746 4.84425      0.805746 4.84425      0.805746 2.18557  0.131432  ?        ?         
1 1 1 66 0  6  o 8.97084  0.120437  80.751       2.15996  80.751       2.15996  80.751       2.15996  8.97849  0.0850719 ?        ?         
1 1 1 66 0  7  o 4.13041  0.113638  17.143       0.937138 17.143       0.937138 17.143       0.937138 4.1354   0.080188  ?        ?         
1 1 1 66 0  8  o 2.49236  0.169046  6.3328       0.833747 6.3328       0.833747 6.3328       0.833747 2.50458  0.118296  ?        ?         
1 1 1 66 0  9  o 3.09549  0.133922  9.67437      0.825579 9.67437      0.825579 9.67437      0.825579 3.10297  0.0942637 ?        ?         
1 1 1 66 0  10 o 1.01537  0.388042  1.43526      0.739585 1.43526      0.739585 1.43526      0.739585 1.10191  0.27456   ?        ?         
1 1 1 66 0  11 o 4.23378  0.139498  18.0711      1.1783   18.0711      1.1783   18.0711      1.1783   4.24243  0.0983162 ?        ?         
1 1 1 66 0  12 o 2.11399  0.202151  4.63723      0.836738 4.63723      0.836738 4.63723      0.836738 2.13429  0.13999   ?        ?         
1 1 1 66 0  13 o 10.9908  0.149631  121.638      3.28775  121.638      3.28775  121.638      3.28775  11.0098  0.1056    ?        ?         
1 1 1 66 0  14 o 0.508972 0.338032  -0.110725    0.873893 -0.110725    0.873893 -0.110725    0.873893 0.423702 0.282206  ?        ?         
1 1 1 66 0  15 o 1.07877  0.424621  1.66186      0.875537 1.66186      0.875537 1.66186      0.875537 1.17544  0.305353  ?        ?         
1 1 1 66 0  16 o 4.80864  0.127005  23.2954      1.21952  23.2954      1.21952  23.2954      1.21952  4.81759  0.0895678 ?        ?         
1 1 1 66 0  17 f 0.604214 0.377559  0.326248     0.909141 0.326248     0.909141 0.326248     0.909141 0.540451 0.327817  ?        ?         
1 1 1 66 0  18 o 2.21451  0.234333  5.1638       1.01128  5.1638       1.01128  5.1638       1.01128  2.24449  0.161209  ?        ?         
1 1 1 66 0  19 f 0.624335 0.393999  0.307829     1.02062  0.307829     1.02062  0.307829     1.02062  0.553528 0.341361  ?        ?         
1 1 1 66 0  20 o 0.399063 0.287374  -1.29392     0.997868 -1.29392     0.997868 -1.29392     0.997868 0.304252 0.222218  ?        ?         
1 1 1 66 0  21 f 3.49671  0.218901  12.6576      1.51712  12.6576      1.51712  12.6576      1.51712  3.52774  0.152698  ?        ?         
1 1 1 66 0  22 o 1.63954  0.380263  3.25304      1.08333  3.25304      1.08333  3.25304      1.08333  1.73579  0.229628  ?        ?         
1 1 1 66 0  23 o 0.618409 0.396404  0.291059     1.06929  0.291059     1.06929  0.291059     1.06929  0.549511 0.343744  ?        ?         
1 1 1 66 0  24 o 2.91167  0.202856  8.84122      1.16813  8.84122      1.16813  8.84122      1.16813  2.94302  0.14107   ?        ?         
1 1 1 66 0  25 o 0.425465 0.303572  -1.04659     1.0438   -1.04659     1.0438   -1.04659     1.0438   0.331888 0.240076  ?        ?         
1 1 1 66 0  26 o 0.506966 0.347248  -0.311221    1.06169  -0.311221    1.06169  -0.311221    1.06169  0.420594 0.289144  ?        ?         
1 1 1 66 0  27 o 0.528467 0.359001  -0.167134    1.09613  -0.167134    1.09613  -0.167134    1.09613  0.447387 0.303169  ?        ?         
1 1 1 66 0  28 f 0.487932 0.348842  -1.11121     1.39782  -1.11121     1.39782  -1.11121     1.39782  0.393683 0.283831  ?        ?         
1 1 1 66 0  29 o 1.8468   0.465188  4.79578      1.48409  4.79578      1.48409  4.79578      1.48409  2.04661  0.266491  ?        ?         
1 1 1 66 0  30 o 0.729184 0.457394  1.20042      1.35021  1.20042      1.35021  1.20042      1.35021  0.752674 0.423377  ?        ?         
1 1 1 66 0  31 o 0.740746 0.465654  1.32642      1.40879  1.32642      1.40879  1.32642      1.40879  0.776275 0.434145  ?        ?         
1 1 1 66 1  0  o 1.2177   0.437003  2.0072       0.970717 2.0072       0.970717 2.0072       0.970717 1.31868  0.299006  ?        ?         
1 1 1 66 1  1  o 9.30734  0.0832422 86.8597      1.54953  88.0465      2.28645  85.8516      2.10723  9.3562   0.122189  9.24229  0.113999  
1 1 1 66 1  2  o 5.12971  0.0772187 26.3754      0.792219 26.1562      1.11382  26.5998      1.12704  5.10242  0.109146  5.14542  0.109518  
1 1 1 66 1  3  o 0.925377 0.26314   0.903161     0.510181 0.773464     0.723128 1.0317       0.719893 0.909449 0.319723  1.00137  0.319346  
1 1 1 66 1  4  o 1.94062  0.137672  3.79435      0.534338 4.65867      0.751078 2.90857      0.760344 2.14534  0.175048  1.68849  0.225155  
1 1 1 66 1  5  o 2.08709  0.13165   4.38612      0.549532 3.72006      0.763181 5.10329      0.791927 1.9135   0.19942   2.24505  0.176372  
1 1 1 66 1  6  f 3.98793  0.0836896 15.9484      0.667497 16.3134      0.984011 15.6374      0.908474 4.02677  0.122184  3.94378  0.115178  
1 1 1 66 1  7  o 4.42888  0.0805399 19.6689      0.713403 19.485       1.02301  19.8429      0.995365 4.40151  0.116211  4.44266  0.112024  
1 1 1 66 1  8  o 1.48068  0.174865  2.22347      0.517837 2.32028      0.776553 2.14596      0.694897 1.47641  0.273265  1.44571  0.240331  
1 1 1 66 1  9  o 1.07313  0.251753  1.23347      0.531583 1.02078      0.780299 1.41768      0.726162 1.00134  0.333021  1.14408  0.309762  
1 1 1 66 1  10 o 5.32617  0.0796305 28.4592      0.848251 29.7219      1.21041  27.2406      1.18909  5.43475  0.111358  5.20208  0.11429   
1 1 1 66 1  11 f 3.83625  0.091196  14.7819      0.699702 15.2255      1.01914  14.3862      0.962353 3.88422  0.13119   3.77662  0.127409  
1 1 1 66 1  12 o 3.2175   0.104183  10.4163      0.670418 10.3658      0.913885 10.4751      0.986502 3.201    0.14275   3.21495  0.153424  
1 1 1 66 1  13 o 5.10931  0.0921348 26.2352      0.941491 26.9059      1.31416  25.528       1.34948  5.16256  0.127278  5.02596  0.134251  
1 1 1 66 1  14 o 2.66186  0.123198  7.15149      0.655872 7.29359      0.925033 7.00784      0.930075 2.67606  0.172835  2.62185  0.17737   
1 1 1 66 1  15 o 0.904322 0.294996  0.846574     0.612281 0.883413     0.85916  0.808557     0.872793 0.962599 0.347475  0.94314  0.349094  
1 1 1 66 1  16 o 0.571231 0.258267  -0.284285    0.629694 0.211774     0.925168 -0.712421    0.859498 0.803728 0.33818   0.61059  0.285308  
1 1 1 66 1  17 o 1.75704  0.190649  3.17158      0.669957 2.34343      0.942441 4.01762      0.952565 1.44654  0.332519  1.96143  0.242825  
1 1 1 66 1  18 o 1.13116  0.298461  1.41588      0.685089 2.02386      0.957038 0.7769       0.981135 1.33552  0.352933  0.951782 0.365601  
1 1 1 66 1  19 o 1.11589  0.312425  1.39361      0.724652 1.1383       1.01862  1.65522      1.03112  1.05103  0.378452  1.20501  0.38198   
1 1 1 66 1  20 o 0.774858 0.30844   0.417747     0.715559 1.7279       1.03944  -0.762418    0.986533 1.22354  0.382828  0.651876 0.305014  
1 1 1 66 1  21 o 1.16798  0.326448  1.57142      0.791832 2.34649      1.15353  0.880761     1.0889   1.39284  0.395549  0.979803 0.383297  
1 1 1 66 1  22 o 0.761363 0.31014   0.375744     0.744928 0.811675     1.08331  -0.0152851   1.026    0.953588 0.379534  0.770286 0.340077  
1 1 1 66 1  23 o 0.937189 0.328892  0.960021     0.764907 1.40818      1.09746  0.536651     1.06668  1.09841  0.393093  0.882763 0.366781  
1 1 1 66 1  24 o 0.847829 0.326116  0.696875     0.781363 1.09007      1.08154  0.267595     1.13009  0.998498 0.383763  0.834608 0.362972  
1 1 1 66 1  25 o 1.26295  0.300727  1.91019      0.74975  1.57577      1.04049  2.27135      1.0813   1.10657  0.384041  1.31286  0.386286  
1 1 1 66 1  26 o 1.10019  0.327397  1.51241      0.773127 1.69126      1.0931   1.33338      1.09364  1.12472  0.393314  1.02962  0.388742  
1 1 1 66 1  27 o 2.34457  0.201611  6.02677      0.945381 6.38936      1.32094  5.64603      1.3536   2.3145   0.285363  2.13586  0.316875  
1 1 1 66 1  28 o 2.19779  0.22868   5.52319      1.00518  5.11481      1.32844  6.07016      1.53741  1.94744  0.354158  2.07855  0.384289  
1 1 1 66 1  29 o 1.78221  0.291926  4.06893      1.04054  5.73662      1.52934  2.63148      1.41985  1.91999  0.410274  1.17492  0.443137  
1 1 1 66 1  30 o 1.86246  0.270613  4.49198      1.00801  4.97363      1.45515  4.04762      1.39768  1.65692  0.433964  1.44402  0.442346  
1 1 1 66 1  31 o 1.35963  0.369108  3.07653      1.02936  3.7013       1.46325  2.46442      1.44835  1.26438  0.453758  1.01456  0.424831  
1 1 1 66 2  0  o 2.23993  0.218823  5.20527      0.958817 5.20527      0.958817 5.20527      0.958817 2.26136  0.151466  ?        ?         
1 1 1 66 2  1  o 8.98933  0.0830175 81.0302      1.49254  79.1178      2.11475  82.9282      2.10682  8.86958  0.119214  9.08203  0.115988  
1 1 1 66 2  2  o 4.3868   0.0821423 19.2959      0.720685 18.8671      1.03038  19.7067      1.00838  4.33131  0.118945  4.42769  0.113872  
1 1 1 66 2  3  o 2.33653  0.122428  5.49217      0.572112 5.49463      0.804573 5.48965      0.81368  2.33006  0.172651  2.32867  0.174709  
1 1 1 66 2  4  o 5.59682  0.0748292 31.3951      0.837611 31.9069      1.19486  30.9005      1.17452  5.63574  0.106007  5.54617  0.105886  
1 1 1 66 2  5  o 4.47874  0.0783761 20.1105      0.702053 20.9712      1.01798  19.3297      0.969495 4.56752  0.111437  4.3853   0.110539  
1 1 1 66 2  6  o 2.72885  0.104267  7.48263      0.569057 7.43151      0.818283 7.53051      0.791902 2.71235  0.150844  2.73141  0.144962  
1 1 1 66 2  7  o 3.67893  0.0849381 13.5816      0.624962 14.9004      0.950937 12.5789      0.829181 3.84603  0.123626  3.53503  0.11728   
1 1 1 66 2  8  o 4.52882  0.0813029 20.578       0.736413 19.9598      1.04339  21.1917      1.03951  4.45245  0.11717   4.58881  0.113266  
1 1 1 66 2  9  o 1.2815   0.213341  1.68016      0.546792 1.54381      0.779656 1.81214      0.767061 1.19096  0.320303  1.29227  0.301933  
1 1 1 66 2  10 o 6.16078  0.0833306 38.0953      1.02676  37.3737      1.43421  38.8541      1.47059  6.09093  0.117733  6.21013  0.118403  
1 1 1 66 2  11 o 2.79068  0.116324  7.84776      0.649249 7.54066      0.88652  8.20301      0.953486 2.72553  0.162632  2.84135  0.167787  
1 1 1 66 2  12 o 1.45265  0.203223  2.16114      0.590424 1.65915      0.792814 2.78623      0.884693 1.22902  0.319594  1.63452  0.270628  
1 1 1 66 2  13 o 5.27821  0.0897921 27.996       0.947884 29.0302      1.32966  26.9272      1.35163  5.36284  0.123969  5.16218  0.130917  
1 1 1 66 2  14 o 1.20612  0.254564  1.56762      0.594983 2.27713      0.853318 0.896302     0.83003  1.44188  0.305258  0.961046 0.342066  
1 1 1 66 2  15 f 0.59391  0.262142  -0.132446    0.60912  0.315398     0.876423 -0.550897    0.847174 0.811627 0.334465  0.630093 0.290073  
1 1 1 66 2  16 o 1.86405  0.175135  3.55429      0.652921 3.2362       0.932983 3.85959      0.914047 1.75333  0.26606   1.9246   0.237464  
1 1 1 66 2  17 f 1.66107  0.202596  2.84537      0.673051 3.45115      0.953861 2.24471      0.949828 1.81045  0.263432  1.41134  0.340023  
1 1 1 66 2  18 o 0.791961 0.30783   0.481883     0.700006 -0.944999    1.02075  1.74872      0.961798 0.645653 0.303789  1.24     0.364146  
1 1 1 66 2  19 o 3.16802  0.125366  10.1752      0.794326 10.9477      1.13299  9.42851      1.11394  3.26572  0.173468  3.02574  0.184078  
1 1 1 66 2  20 f 1.00562  0.32577   1.11711      0.74701  1.66514      1.08864  0.629471     1.02692  1.19787  0.393355  0.91274  0.367127  
1 1 1 66 2  21 f 2.58006  0.159515  6.85161      0.823114 6.69358      1.21101  6.98731      1.12218  2.50412  0.241803  2.57374  0.218005  
1 1 1 66 2  22 o 0.744719 0.307955  0.312766     0.746386 -1.06083     1.05378  1.69565      1.05733  0.631421 0.301372  1.18548  0.387657  
1 1 1 66 2  23 o 1.11744  0.315376  1.46888      0.73552  1.0901       1.03767  1.85136      1.04272  1.00275  0.378645  1.22162  0.38367   
1 1 1 66 2  24 o 0.722709 0.30698   0.23801      0.774305 0.370466     1.05792  0.0851898    1.13634  0.829449 0.355761  0.799206 0.354718  
1 1 1 66 2  25 o 2.84459  0.15039   8.43131      0.855595 9.35469      1.15804  7.32138      1.26964  2.95548  0.195913  2.56444  0.247547  
1 1 1 66 2  26 o 1.37369  0.296812  2.28625      0.792318 3.74358      1.09758  0.700462     1.14493  1.73768  0.327805  0.883738 0.374232  
1 1 1 66 2  27 o 0.73521  0.323772  0.268508     0.922425 -0.520459    1.21087  1.35946      1.42387  0.694537 0.327981  0.993583 0.418871  
1 1 1 66 2  28 o 1.51314  0.331095  3.05124      0.974461 3.28089      1.37336  2.8184       1.38288  1.40641  0.440043  1.28218  0.442957  
1 1 1 66 2  29 o 0.503981 0.250287  -1.5188      0.968018 -2.05227     1.423    -1.05928     1.32069  0.588154 0.293647  0.631348 0.3093    
1 1 1 66 2  30 o 0.634187 0.298223  -0.143127    0.980945 -0.57434     1.30271  0.421563     1.49076  0.653898 0.317265  0.770813 0.363976  
1 1 1 66 2  31 o 0.576269 0.279443  -0.418342    1.00813  0.411742     1.47588  -1.14444     1.38034  0.704072 0.340671  0.585944 0.292072  
1 1 1 66 3  0  o 1.7262   0.245305  3.18845      0.797759 3.18845      0.797759 3.18845      0.797759 1.75851  0.163649  ?        ?         
1 1 1 66 3  1  o 1.74433  0.16209   3.07558      0.565476 3.77951      0.812833 2.41536      0.787191 1.92634  0.210979  1.51002  0.270442  
1 1 1 66 3  2  o 5.68494  0.0780433 32.401       0.887343 31.9841      1.25632  32.8161      1.25347  5.64068  0.111363  5.71402  0.109683  
1 1 1 66 3  3  o 1.68113  0.166353  2.85993      0.559322 2.72115      0.774594 3.01113      0.808497 1.62975  0.237643  1.71471  0.235753  
1 1 1 66 3  4  o 5.57418  0.0745403 31.1491      0.831002 31.0195      1.17451  31.279       1.17591  5.55555  0.105707  5.57882  0.105391  
1 1 1 66 3  5  o 2.58711  0.106345  6.72912      0.550251 6.74696      0.812865 6.71403      0.747573 2.58238  0.157387  2.57834  0.144972  
1 1 1 66 3  6  o 3.57269  0.0900468 12.8156      0.643418 14.1101      0.951922 11.7268      0.873048 3.74141  0.127214  3.41065  0.127988  
1 1 1 66 3  7  o 2.88966  0.103618  8.39525      0.59884  8.47506      0.877279 8.32561      0.81945  2.89457  0.151539  2.87078  0.142722  
1 1 1 66 3  8  o 1.77395  0.154329  3.18509      0.547546 2.36662      0.780413 3.9786       0.768419 1.48933  0.272109  1.97567  0.19447   
1 1 1 66 3  9  o 4.09096  0.0890398 16.8072      0.728517 17.1752      1.00136  16.3934      1.06185  4.12798  0.12129   4.03009  0.131741  
1 1 1 66 3  10 o 0.82478  0.281084  0.666947     0.555892 0.30614      0.783328 1.033        0.789002 0.780945 0.318062  1.00281  0.334873  
1 1 1 66 3  11 o 3.08408  0.104779  9.57249      0.646292 11.0827      0.916203 8.07669      0.911803 3.31059  0.138375  2.82049  0.161639  
1 1 1 66 3  12 o 2.36942  0.133124  5.67427      0.630854 6.9726       0.868664 4.22529      0.917679 2.61878  0.165852  2.02421  0.226676  
1 1 1 66 3  13 o 1.71174  0.179235  2.98961      0.613607 3.11609      0.846503 2.84956      0.890727 1.73253  0.244297  1.65011  0.2699    
1 1 1 66 3  14 o 3.04086  0.112083  9.32513      0.681656 9.6153       0.949374 9.01635      0.979339 3.07625  0.154307  2.97567  0.164558  
1 1 1 66 3  15 o 1.31027  0.248948  1.84709      0.628807 2.26666      0.888867 1.42676      0.889667 1.42798  0.31931   1.13634  0.3539    
1 1 1 66 3  16 o 3.74035  0.102542  14.1015      0.767085 13.1414      1.08617  15.0569      1.08348  3.59417  0.151101  3.85158  0.140654  
1 1 1 66 3  17 o 1.68738  0.20285   2.93764      0.684571 2.59413      0.989126 3.25345      0.948416 1.52078  0.334271  1.75492  0.270217  
1 1 1 66 3  18 o 1.66884  0.208686  2.8911       0.696527 1.65727      0.991353 4.09398      0.978842 1.20455  0.373263  1.97107  0.248303  
1 1 1 66 3  19 f 0.461092 0.226768  -1.37371     0.72192  -2.0892      1.0631   -0.761405    0.983447 0.547562 0.269777  0.650259 0.304337  
1 1 1 66 3  20 o 2.45701  0.160614  6.20581      0.78926  6.32707      1.14122  6.09464      1.09272  2.44411  0.233464  2.40222  0.22744   
1 1 1 66 3  21 o 0.693726 0.297851  0.104255     0.742863 0.712819     1.08835  -0.426574    1.01647  0.931799 0.376641  0.700628 0.320521  
1 1 1 66 3  22 o 0.914108 0.321374  0.902692     0.730621 0.814727     1.03623  0.989653     1.0303   0.93908  0.372001  0.981076 0.375287  
1 1 1 66 3  23 o 2.49501  0.164118  6.47582      0.81895  5.9148       1.1517   7.04964      1.16475  2.3284   0.247316  2.55832  0.22764   
1 1 1 66 3  24 o 0.679906 0.298513  0.0529429    0.77928  -0.999005    1.04827  1.35244      1.1651   0.621216 0.297473  1.05117  0.399959  
1 1 1 66 3  25 o 1.44368  0.291692  2.47576      0.812747 1.94247      1.0695   3.20468      1.25038  1.20276  0.389813  1.53991  0.401789  
1 1 1 66 3  26 o 0.779175 0.322181  0.534084     0.816844 1.47766      1.12859  -0.504       1.18377  1.03837  0.394065  0.699326 0.328491  
1 1 1 66 3  27 o 0.777003 0.334585  0.499691     0.942358 2.28485      1.27047  -1.6837      1.40506  1.18828  0.423175  0.635953 0.313235  
1 1 1 66 3  28 o 1.32912  0.346764  2.48087      0.931393 2.29327      1.28071  2.69149      1.35698  1.15997  0.423694  1.23842  0.437714  
1 1 1 66 3  29 o 2.38695  0.219315  6.75563      1.04699  7.32838      1.47126  6.16801      1.49025  2.29072  0.321136  1.97388  0.391407  
1 1 1 66 3  30 f 1.07759  0.383004  2.0955       1.04026  1.84456      1.51846  2.31743      1.42801  0.934884 0.413106  1.02454  0.424952  
1 1 1 66 4  0  o 4.72585  0.112295  22.4372      1.06002  22.4372      1.06002  22.4372      1.06002  4.73134  0.0792612 ?        ?         
1 1 1 66 4  1  o 3.18301  0.1023    10.1815      0.651243 10.328       0.932529 10.0419      0.909882 3.1978   0.145808  3.15352  0.144264  
1 1 1 66 4  2  o 4.26241  0.0839269 18.2296      0.715463 19.2869      1.01335  17.1787      1.01029  4.3777   0.11574   4.12998  0.122312  
1 1 1 66 4  3  o 4.49712  0.0783873 20.2857      0.705034 20.2537      0.991914 20.3184      1.00231  4.48695  0.110533  4.49387  0.111519  
1 1 1 66 4  4  o 1.41912  0.180656  2.04669      0.512747 1.35337      0.743313 2.6761       0.708226 1.11946  0.317395  1.61677  0.219025  
1 1 1 66 4  5  o 1.42597  0.183047  2.06762      0.522039 1.71077      0.73316  2.4346       0.743498 1.25675  0.296192  1.53799  0.241712  
1 1 1 66 4  6  o 1.73772  0.159899  3.05882      0.555718 2.85825      0.804233 3.24209      0.768773 1.66621  0.241336  1.77966  0.215989  
1 1 1 66 4  7  o 4.59056  0.0825512 21.148       0.757913 22.2565      1.10414  20.1603      1.04224  4.70079  0.117442  4.47421  0.116472  
1 1 1 66 4  8  o 2.79504  0.104065  7.85845      0.581733 8.17016      0.83361  7.56255      0.812198 2.84164  0.146678  2.73352  0.148563  
1 1 1 66 4  9  o 4.08056  0.0903402 16.7286      0.737278 16.3159      1.00975  17.1999      1.07903  4.02116  0.125555  4.1271   0.130725  
1 1 1 66 4  10 o 1.535    0.192147  2.4071       0.589892 1.77941      0.828636 3.05204      0.839947 1.27131  0.3247    1.71718  0.244571  
1 1 1 66 4  11 o 2.43798  0.130035  6.00445      0.634044 5.37815      0.872528 6.70521      0.922943 2.29405  0.190172  2.56437  0.179955  
1 1 1 66 4  12 o 2.8235   0.116801  8.0406       0.659576 7.64387      0.874891 8.56298      1.00393  2.74267  0.159496  2.89876  0.173165  
1 1 1 66 4  13 o 1.64348  0.181143  2.76006      0.59541  2.35433      0.808665 3.24043      0.879913 1.4736   0.284539  1.76386  0.249428  
1 1 1 66 4  14 o 0.771269 0.287937  0.507791     0.596315 -0.558301    0.828577 1.65327      0.858872 0.619643 0.285882  1.21597  0.340028  
1 1 1 66 4  15 o 2.43639  0.143436  6.02793      0.698933 5.07141      0.951642 7.14816      1.02987  2.21385  0.21493   2.63604  0.195344  
1 1 1 66 4  16 o 0.924769 0.306161  0.893351     0.659502 0.729702     0.952987 1.04376      0.913611 0.932971 0.359886  1.01394  0.359078  
1 1 1 66 4  17 o 2.73314  0.133938  7.58305      0.732144 7.3365       1.03875  7.82646      1.0321   2.66638  0.194787  2.75725  0.18716   
1 1 1 66 4  18 o 0.966202 0.314125  1.00586      0.694259 0.371632     1.00927  1.57551      0.956511 0.856778 0.356429  1.17684  0.367043  
1 1 1 66 4  19 o 3.59775  0.120005  13.1348      0.863493 11.8713      1.25347  14.276       1.19124  3.38692  0.185045  3.73024  0.159673  
1 1 1 66 4  20 f 3.04882  0.131661  9.4823       0.802821 10.5205      1.13231  8.43286      1.13844  3.18559  0.177723  2.83837  0.200545  
1 1 1 66 4  21 o 0.608571 0.276501  -0.288351    0.733292 -0.220281    1.05319  -0.352398    1.0216   0.742859 0.335034  0.711921 0.324231  
1 1 1 66 4  22 f 1.30915  0.294541  1.9786       0.752512 2.93267      1.05377  0.98576      1.07497  1.56521  0.345861  0.98098  0.381434  
1 1 1 66 4  23 o 1.59076  0.248772  2.78006      0.791474 3.06497      1.12613  2.50195      1.11262  1.56755  0.365573  1.39537  0.385948  
1 1 1 66 4  24 o 0.650713 0.292519  -0.110029    0.796336 1.46442      1.07567  -2.01942     1.18457  1.07107  0.388585  0.574714 0.283542  
1 1 1 66 4  25 o 0.704558 0.305446  0.187075     0.795509 -0.286586    1.06072  0.795966     1.20264  0.70401  0.324294  0.914713 0.385258  
1 1 1 66 4  26 o 0.815349 0.338331  0.656972     0.905781 0.255465     1.13944  1.34629      1.49298  0.782563 0.350905  0.998731 0.425305  
1 1 1 66 4  27 o 1.09038  0.362053  1.71238      0.92228  1.06968      1.26625  2.43858      1.346    0.918868 0.3915    1.20399  0.43489   
1 1 1 66 4  28 o 0.709285 0.315845  0.347041     0.908973 0.327403     1.26831  0.367779     1.30337  0.763923 0.352924  0.773396 0.357479  
1 1 1 66 4  29 o 0.803819 0.34686   0.92435      1.01684  0.231327     1.46424  1.56988      1.41318  0.745189 0.355572  0.90426  0.399185  
1 1 1 66 4  30 o 0.592969 0.286468  -0.453684    1.02818  -0.225653    1.56623  -0.626372    1.36298  0.693264 0.338975  0.638755 0.313321  
1 1 1 66 5  0  o 2.02406  0.218815  4.28532      0.86214  4.28532      0.86214  4.28532      0.86214  2.04801  0.150709  ?        ?         
1 1 1 66 5  1  o 4.42713  0.0843329 19.6694      0.746705 20.3843      1.0642   18.9762      1.04799  4.49919  0.118266  4.34037  0.120725  
1 1 1 66 5  2  o 1.678    0.165102  2.85433      0.554083 2.94942      0.789753 2.76215      0.777572 1.69445  0.233042  1.63899  0.237211  
1 1 1 66 5  3  o 1.45756  0.183453  2.16064      0.534789 2.41114      0.77535  1.93331      0.738599 1.52816  0.253687  1.33965  0.284281  
1 1 1 66 5  4  o 3.08431  0.0944483 9.55613      0.582616 9.9441       0.832531 9.18377      0.815617 3.13942  0.132593  3.01648  0.135194  
1 1 1 66 5  5  o 4.01336  0.0840885 16.1662      0.674955 16.506       0.969926 15.8472      0.939845 4.04767  0.119813  3.96639  0.118476  
1 1 1 66 5  6  o 5.10108  0.0821149 26.1153      0.837749 27.5031      1.21987  24.8767      1.15251  5.22517  0.116731  4.96966  0.115954  
1 1 1 66 5  7  o 4.11179  0.086381  16.9776      0.710361 18.7083      1.03749  15.4502      0.974656 4.30774  0.120422  3.91361  0.124521  
1 1 1 66 5  8  o 1.25469  0.232739  1.67091      0.56213  0.940199     0.791743 2.41366      0.79824  0.971628 0.335216  1.49969  0.276512  
1 1 1 66 5  9  o 2.97864  0.107862  8.93296      0.642564 9.12156      0.901141 8.73787      0.916498 3.00035  0.150173  2.93501  0.156132  
1 1 1 66 5  10 o 2.55252  0.128041  6.58008      0.653656 6.65643      0.987758 6.52059      0.871868 2.55104  0.193599  2.53077  0.172253  
1 1 1 66 5  11 o 6.31562  0.0907351 40.0937      1.1461   41.3485      1.69318  39.0326      1.55702  6.39475  0.132388  6.21669  0.125229  
1 1 1 66 5  12 o 1.78563  0.189708  3.26458      0.677497 3.51634      1.00085  3.05166      0.920444 1.83024  0.273421  1.7061   0.269751  
1 1 1 66 5  13 o 3.59848  0.100046  13.0417      0.720025 12.5812      0.984273 13.5719      1.05605  3.52256  0.13971   3.65692  0.144391  
1 1 1 66 5  14 o 3.10432  0.112478  9.72827      0.698336 9.67526      0.978523 9.7833       0.996925 3.08156  0.158771  3.09794  0.160901  
1 1 1 66 5  15 o 1.75982  0.185675  3.17843      0.65351  2.34283      0.9097   4.06952      0.939422 1.4493   0.322284  1.97509  0.237818  
1 1 1 66 5  16 o 2.17192  0.161605  4.81704      0.701984 5.92063      1.00696  3.77358      0.979137 2.39069  0.2106    1.89197  0.258762  
1 1 1 66 5  17 o 1.3779   0.260045  2.06621      0.690446 1.25814      0.967355 2.90535      0.985783 1.0784   0.370679  1.61294  0.316878  
1 1 1 66 5  18 f 1.31232  0.28178   1.91427      0.718276 2.0904       1.02549  1.74465      1.00637  1.3361   0.370876  1.22527  0.375353  
1 1 1 66 5  19 o 1.20851  0.305994  1.67003      0.740693 0.792311     1.03871  2.5781       1.05651  0.946428 0.373224  1.47617  0.360479  
1 1 1 66 5  20 o 0.478276 0.232134  -1.06707     0.698451 -0.80375     0.978547 -1.34054     0.997236 0.63377  0.297978  0.580404 0.280694  
1 1 1 66 5  21 o 0.818839 0.314337  0.611514     0.724911 1.77044      1.01546  -0.592867    1.03518  1.20439  0.378695  0.67987  0.315905  
1 1 1 66 5  22 o 2.03917  0.194047  4.39276      0.791391 4.58177      1.06669  4.16134      1.18031  2.03906  0.261563  1.90846  0.309232  
1 1 1 66 5  23 o 0.980607 0.341287  1.14607      0.822209 1.97258      1.18053  0.36746      1.14581  1.21388  0.409619  0.842668 0.365967  
1 1 1 66 5  24 o 0.860893 0.329345  0.794797     0.793553 0.0988231    1.05727  1.69272      1.20091  0.766788 0.341068  1.12364  0.410295  
1 1 1 66 5  25 o 2.03001  0.22213   4.5769       0.901849 4.67122      1.20724  4.45779      1.3566   1.96321  0.307467  1.816    0.385205  
1 1 1 66 5  26 o 0.627468 0.295313  -0.477217    0.965847 -0.719613    1.23104  -0.0890989   1.55773  0.674645 0.322891  0.804392 0.377642  
1 1 1 66 5  27 o 1.91516  0.239353  4.27546      0.916797 4.98752      1.27456  3.51205      1.31971  1.92496  0.343416  1.48554  0.42347   
1 1 1 66 5  28 o 0.735085 0.325696  0.502382     0.952474 0.375957     1.40666  0.609423     1.29434  0.771503 0.361599  0.789407 0.361366  
1 1 1 66 5  29 o 1.69884  0.318721  4.05064      1.04297  5.35917      1.57173  3.02111      1.39414  1.68577  0.455408  1.19728  0.441596  
1 1 1 66 5  30 o 0.628349 0.300283  0.0294042    1.05459  0.25059      1.75701  -0.0951551   1.31851  0.703523 0.346666  0.64626  0.314999  
1 1 1 66 6  0  o 3.6047   0.127159  13.0963      0.914156 13.0963      0.914156 13.0963      0.914156 3.61181  0.0896096 ?        ?         
1 1 1 66 6  1  o 3.67648  0.0921402 13.576       0.677504 14.0073      0.978576 13.179       0.938924 3.72597  0.131318  3.61448  0.129884  
1 1 1 66 6  2  o 3.58686  0.0895619 12.9196      0.642492 12.4261      0.938449 13.355       0.881467 3.50863  0.133734  3.64047  0.121065  
1 1 1 66 6  3  o 3.51288  0.0917912 12.3956      0.644903 11.8492      0.924918 12.9127      0.899666 3.42565  0.134999  3.57837  0.125709  
1 1 1 66 6  4  o 4.93032  0.0801661 24.3931      0.790489 24.3872      1.11079  24.3991      1.12519  4.92125  0.112857  4.92201  0.114302  
1 1 1 66 6  5  o 3.04952  0.101702  9.35348      0.620286 9.20066      0.855909 9.52253      0.900198 3.01621  0.141885  3.06732  0.14674   
1 1 1 66 6  6  o 4.91131  0.0867152 24.2248      0.851771 23.0654      1.13466  25.7217      1.28927  4.78335  0.118605  5.04806  0.127699  
1 1 1 66 6  7  o 2.58655  0.122727  6.74887      0.634882 6.96317      0.901053 6.53758      0.894698 2.61626  0.172202  2.53395  0.176542  
1 1 1 66 6  8  o 2.71614  0.120368  7.44084      0.653874 6.26598      0.95362  8.48334      0.898292 2.47606  0.192568  2.89196  0.155308  
1 1 1 66 6  9  o 0.642668 0.269701  0.101591     0.585865 0.125179     0.918064 0.0853857    0.760952 0.786679 0.334212  0.716212 0.304274  
1 1 1 66 6  10 o 3.38195  0.101748  11.5125      0.688212 11.455       1.04771  11.5562      0.912748 3.35852  0.155977  3.3798   0.13503   
1 1 1 66 6  11 o 3.79102  0.101385  14.47        0.768706 13.0357      1.10518  15.8142      1.06991  3.58222  0.15426   3.95267  0.13534   
1 1 1 66 6  12 o 1.67417  0.197635  2.88079      0.66175  2.89723      0.994063 2.8677       0.886807 1.62193  0.317774  1.65167  0.268457  
1 1 1 66 6  13 o 2.89438  0.126813  8.4783       0.73409  7.63231      1.10194  9.15333      0.984312 2.72132  0.202464  2.9954   0.164304  
1 1 1 66 6  14 o 3.71587  0.111878  13.9391      0.831452 14.3141      1.19484  13.5872      1.15773  3.7473   0.159427  3.6513   0.158537  
1 1 1 66 6  15 o 2.77428  0.135655  7.80816      0.752692 7.7587       1.10736  7.85064      1.0262   2.74176  0.201943  2.76464  0.185594  
1 1 1 66 6  16 o 3.27263  0.117504  10.8395      0.769093 11.0184      1.10512  10.6715      1.07101  3.27901  0.168514  3.22819  0.165883  
1 1 1 66 6  17 f 1.39605  0.251028  2.11428      0.675386 2.26493      0.956036 1.96419      0.954248 1.4055   0.342715  1.30416  0.355983  
1 1 1 66 6  18 f 1.34087  0.282152  2.00945      0.732811 1.97454      1.0035   2.04933      1.07265  1.29206  0.369573  1.31082  0.384436  
1 1 1 66 6  19 o 1.03918  0.317979  1.23504      0.722513 0.664984     0.9909   1.88216      1.05576  0.901654 0.361475  1.24805  0.384886  
1 1 1 66 6  20 o 2.34104  0.158716  5.65406      0.743124 5.14374      1.04302  6.18017      1.05904  2.19106  0.238017  2.41383  0.219369  
1 1 1 66 6  21 o 1.86793  0.203977  3.69251      0.76203  3.28262      1.04897  4.15056      1.10887  1.67366  0.324973  1.92862  0.287478  
1 1 1 66 6  22 o 3.17822  0.149598  10.4632      0.95091  10.2858      1.31734  10.6561      1.37403  3.09609  0.212742  3.14555  0.218409  
1 1 1 66 6  23 o 0.595364 0.27506   -0.374495    0.770476 0.169784     1.06185  -0.979679    1.11968  0.783066 0.345811  0.644558 0.308359  
1 1 1 66 6  24 o 2.55838  0.171603  6.92772      0.878051 8.17061      1.19036  5.44433      1.30044  2.73235  0.217826  2.14548  0.303064  
1 1 1 66 6  25 o 0.904423 0.343552  1.01722      0.858466 1.44424      1.13731  0.451724     1.30878  1.01741  0.393009  0.844229 0.377378  
1 1 1 66 6  26 o 1.88635  0.281385  4.33458      1.06158  5.46756      1.50827  3.22231      1.49443  1.94141  0.402015  1.3571   0.46087   
1 1 1 66 6  27 o 0.88401  0.356864  1.11202      0.975291 1.75954      1.36387  0.434396     1.3952   1.004    0.415796  0.803226 0.370729  
1 1 1 66 6  28 f 0.784934 0.3389    0.815136     0.971737 1.27738      1.43883  0.427484     1.31764  0.867407 0.391381  0.755299 0.353054  
1 1 1 66 6  29 o 0.816181 0.354283  1.03359      1.07278  0.476197     1.76544  1.35988      1.35076  0.778055 0.375797  0.862837 0.3846    
1 1 1 66 7  0  o 5.19297  0.110644  27.0957      1.14797  27.0957      1.14797  27.0957      1.14797  5.19915  0.078104  ?        ?         
1 1 1 66 7  1  o 3.18316  0.0982782 10.1874      0.625671 10.1054      0.891073 10.2672      0.878721 3.16126  0.140936  3.18722  0.137851  
1 1 1 66 7  2  o 2.52987  0.114241  6.44758      0.57803  5.68859      0.83717  7.13907      0.799075 2.36406  0.177062  2.65484  0.150494  
1 1 1 66 7  3  o 5.67438  0.0819057 32.3218      0.929528 32.5377      1.31789  32.1081      1.31123  5.68233  0.115964  5.64463  0.116149  
1 1 1 66 7  4  o 2.68614  0.117562  7.27274      0.631574 7.3593       0.891033 7.18533      0.895345 2.6916   0.165521  2.65887  0.168369  
1 1 1 66 7  5  o 2.81241  0.109728  7.96509      0.617202 7.13331      0.857552 8.85902      0.889008 2.65068  0.161761  2.95699  0.150323  
1 1 1 66 7  6  o 5.62821  0.088415  31.8228      0.995236 33.2178      1.38446  30.331       1.43168  5.73889  0.12062   5.47982  0.130632  
1 1 1 66 7  7  o 1.40587  0.216884  2.03252      0.609822 2.55951      0.996846 1.71735      0.770902 1.52193  0.336467  1.25084  0.309455  
1 1 1 66 7  8  o 1.49096  0.204774  2.28061      0.610621 2.02181      0.97835  2.44575      0.781528 1.34476  0.357513  1.5331   0.254884  
1 1 1 66 7  9  o 4.20198  0.0927562 17.754       0.779519 16.2651      1.17296  18.9317      1.04322  4.00536  0.146424  4.33082  0.120442  
1 1 1 66 7  10 o 2.12344  0.142404  4.57021      0.604774 4.98767      0.862898 4.16717      0.847859 2.20519  0.195652  2.01164  0.210739  
1 1 1 66 7  11 o 0.57474  0.255907  -0.185162    0.596579 0.384303     0.854151 -0.727561    0.833605 0.81928  0.332646  0.596395 0.279318  
1 1 1 66 7  12 o 3.35103  0.107541  11.3266      0.720744 11.1877      1.01169  11.4698      1.02706  3.31612  0.152541  3.35751  0.152949  
1 1 1 66 7  13 o 3.78101  0.107121  14.4206      0.810054 14.7268      1.13549  14.1032      1.15596  3.80549  0.149191  3.72145  0.155311  
1 1 1 66 7  14 o 2.6866   0.134437  7.31869      0.722357 6.61786      1.08314  7.8801       0.969429 2.528    0.214228  2.77456  0.174699  
1 1 1 66 7  15 o 2.77189  0.132281  7.80016      0.733337 8.67229      1.09934  7.10094      0.984348 2.90015  0.189532  2.62514  0.187485  
1 1 1 66 7  16 o 2.24622  0.157647  5.15643      0.70822  5.28231      1.06438  5.05642      0.948717 2.24296  0.237272  2.20378  0.215248  
1 1 1 66 7  17 o 2.34303  0.152432  5.62014      0.714305 5.46932      0.989339 5.78436      1.0324   2.28494  0.216491  2.34817  0.21983   
1 1 1 66 7  18 o 2.00591  0.179024  4.17148      0.718211 4.5087       1.00251  3.81591      1.02943  2.05422  0.244013  1.87385  0.274683  
1 1 1 66 7  19 o 0.828673 0.312552  0.645958     0.70635  1.14729      0.98991  0.125927     1.0082   1.02379  0.372641  0.788842 0.342951  
1 1 1 66 7  20 o 0.68656  0.293417  0.133947     0.715106 -0.2787      0.955511 0.659358     1.07819  0.69633  0.316175  0.909893 0.372292  
1 1 1 66 7  21 f 0.652906 0.288931  -0.0510044   0.746497 -0.182961    1.00506  0.111359     1.11486  0.721777 0.326312  0.803477 0.354644  
1 1 1 66 7  22 o 1.9659   0.20856   4.15917      0.820017 3.17508      1.11864  5.30222      1.2056   1.5884   0.360328  2.15937  0.279154  
1 1 1 66 7  23 o 1.33427  0.303555  2.15106      0.792033 1.84507      1.05011  2.5548       1.20626  1.17659  0.386331  1.36078  0.409765  
1 1 1 66 7  24 o 0.709305 0.313043  0.141833     0.868323 1.28783      1.1645   -1.29333     1.30316  0.997602 0.394615  0.655517 0.317821  
1 1 1 66 7  25 o 1.03438  0.367326  1.5185       0.956651 1.52771      1.42887  1.51102      1.2879   1.01595  0.423463  1.01425  0.409821  
1 1 1 66 7  26 o 0.676245 0.310104  -0.0647522   0.957797 0.394702     1.39711  -0.472175    1.31562  0.824072 0.376485  0.710619 0.338522  
1 1 1 66 7  27 o 0.863898 0.356054  1.11618      0.993349 2.76239      1.40697  -0.519948    1.40266  1.1642   0.440524  0.688037 0.332773  
1 1 1 66 7  28 o 0.732898 0.329127  0.509605     1.00571  -1.1369      1.59777  1.59002      1.29428  0.662422 0.32741   0.922042 0.394421  
1 1 1 66 7  29 o 0.974632 0.378353  1.97973      1.05679  2.74857      1.75573  1.54293      1.32336  0.93493  0.425597  0.838196 0.376929  
1 1 1 66 8  0  o 1.06811  0.390775  1.56425      0.76748  1.56425      0.76748  1.56425      0.76748  1.15941  0.269414  ?        ?         
1 1 1 66 8  1  o 1.19118  0.23482   1.51077      0.539503 1.70603      0.745303 1.29583      0.781961 1.24963  0.301284  1.09492  0.329962  
1 1 1 66 8  2  o 2.68621  0.109122  7.26596      0.586247 6.34555      0.839482 8.14212      0.819052 2.49847  0.167999  2.83617  0.144394  
1 1 1 66 8  3  o 2.51377  0.118383  6.37116      0.595177 6.35221      0.861826 6.38843      0.822935 2.49857  0.172464  2.50773  0.16408   
1 1 1 66 8  4  o 3.90519  0.0876762 15.3203      0.684785 15.785       0.944095 14.8042      0.994755 3.9563   0.119315  3.82843  0.129917  
1 1 1 66 8  5  o 1.53405  0.183933  2.40138      0.564325 2.25535      0.793269 2.55101      0.802972 1.4447   0.284683  1.56627  0.256332  
1 1 1 66 8  6  o 2.54856  0.122372  6.555        0.623744 6.63834      0.950049 6.49187      0.826926 2.54918  0.186344  2.52701  0.163617  
1 1 1 66 8  7  o 1.2892   0.247765  1.77786      0.616042 2.54896      1.01749  1.33161      0.774039 1.51386  0.343811  1.10505  0.327335  
1 1 1 66 8  8  o 1.82552  0.158091  3.38686      0.577197 2.91364      0.84582  3.79931      0.789634 1.67222  0.252903  1.92277  0.205337  
1 1 1 66 8  9  o 1.14063  0.262183  1.41184      0.585941 2.76008      0.856137 0.223874     0.803642 1.62333  0.263698  0.763929 0.317944  
1 1 1 66 8  10 o 1.44716  0.207177  2.15937      0.599638 1.8951       0.859092 2.41044      0.837358 1.30206  0.329463  1.48564  0.29223   
1 1 1 66 8  11 o 2.96749  0.109062  8.88448      0.647282 8.8776       0.913416 8.89142      0.917388 2.95325  0.154646  2.95535  0.155208  
1 1 1 66 8  12 o 0.917304 0.296283  0.887507     0.618232 0.835944     0.870861 0.939896     0.877804 0.944847 0.348912  0.977282 0.351378  
1 1 1 66 8  13 o 1.71178  0.185386  3.00779      0.634677 3.90719      0.924572 2.20629      0.872801 1.93449  0.23897   1.40698  0.317668  
1 1 1 66 8  14 o 0.824548 0.298623  0.641093     0.635018 1.22965      0.918146 0.101387     0.879221 1.06663  0.361241  0.757296 0.324553  
1 1 1 66 8  15 o 3.13091  0.116369  9.91973      0.728684 10.8723      1.04317  9.01197      1.01831  3.26065  0.159963  2.96358  0.171805  
1 1 1 66 8  16 o 1.51262  0.229047  2.40642      0.692924 1.18234      1.02384  3.44097      0.941246 1.05537  0.37948   1.79544  0.262121  
1 1 1 66 8  17 o 3.0781   0.128589  9.6492       0.791618 9.05731      1.17115  10.1471      1.07416  2.94512  0.198829  3.1344   0.17135   
1 1 1 66 8  18 o 2.54634  0.151803  6.66595      0.773085 6.64565      1.10845  6.68519      1.07877  2.50463  0.22128   2.51642  0.214345  
1 1 1 66 8  19 o 0.8758   0.318684  0.787389     0.723949 0.0151428    0.994984 1.65613      1.05532  0.761986 0.33585   1.16992  0.387287  
1 1 1 66 8  20 o 1.13684  0.309011  1.52194      0.720897 1.16727      0.970579 1.95837      1.07666  1.01374  0.368985  1.24736  0.389489  
1 1 1 66 8  21 o 1.87206  0.220181  3.7823       0.824385 3.7404       1.12382  3.83112      1.21299  1.76559  0.330489  1.764    0.356292  
1 1 1 66 8  22 o 0.827066 0.323655  0.678786     0.776533 0.360648     1.05242  1.05897      1.15048  0.814293 0.352146  0.974333 0.38996   
1 1 1 66 8  23 o 0.969139 0.337999  1.15714      0.806798 1.72421      1.04013  0.300625     1.27832  1.13255  0.38449   0.843187 0.375041  
1 1 1 66 8  24 o 0.825694 0.349562  0.631004     0.998527 -0.446055    1.41437  1.70128      1.4099   0.753429 0.355402  1.06626  0.429636  
1 1 1 66 8  25 o 0.790342 0.336551  0.579546     0.934823 0.827803     1.37918  0.368555     1.27146  0.889593 0.39332   0.808985 0.36631   
1 1 1 66 8  26 o 0.871826 0.357049  1.03655      0.992638 1.22704      1.54642  0.90307      1.29453  0.920948 0.41098   0.863621 0.381548  
1 1 1 66 8  27 o 0.670965 0.315     -0.0260357   1.08373  0.178209     1.563    -0.21514     1.50396  0.757969 0.363026  0.716815 0.346327  
1 1 1 66 8  28 o 0.685482 0.319797  0.156028     1.0745   -2.3535      1.64826  2.0107       1.41698  0.600432 0.302311  0.968689 0.41348   
1 1 1 66 9  0  o 5.23443  0.110636  27.5371      1.15706  27.5371      1.15706  27.5371      1.15706  5.24099  0.0780939 ?        ?         
1 1 1 66 9  1  f 1.33298  0.214406  1.82629      0.571598 2.11106      0.827563 1.5665       0.790437 1.38912  0.306116  1.1934   0.32321   
1 1 1 66 9  2  o 0.96267  0.279425  0.993715     0.569541 1.56973      0.845732 0.515702     0.770431 1.19348  0.338612  0.831972 0.323034  
1 1 1 66 9  3  o 3.76621  0.0894205 14.254       0.673554 15.1034      0.992085 13.5277      0.917391 3.86667  0.128287  3.66026  0.125318  
1 1 1 66 9  4  o 1.79016  0.158151  3.25443      0.566229 2.99833      0.782546 3.53587      0.820326 1.7036   0.229675  1.8521   0.221458  
1 1 1 66 9  5  o 2.8815   0.109589  8.36612      0.63156  8.78959      0.972076 8.05679      0.830794 2.93916  0.165366  2.81896  0.147358  
1 1 1 66 9  6  o 4.95109  0.0838744 24.6252      0.83054  26.5013      1.24927  23.1392      1.11183  5.12314  0.121924  4.78931  0.116074  
1 1 1 66 9  7  o 2.02381  0.146692  4.15472      0.593751 4.11981      0.86855  4.18535      0.813529 1.99837  0.217314  2.01854  0.201514  
1 1 1 66 9  8  f 1.41386  0.199484  2.05469      0.564086 2.45071      0.815922 1.6921       0.780717 1.50332  0.281781  1.23542  0.314958  
1 1 1 66 9  9  o 1.74614  0.168371  3.11296      0.587997 2.9838       0.848354 3.23237      0.815714 1.68855  0.251208  1.76345  0.231283  
1 1 1 66 9  10 o 2.2554   0.136318  5.15783      0.614903 6.23811      0.887136 4.15892      0.853071 2.46789  0.179736  2.0056   0.212672  
1 1 1 66 9  11 o 2.20012  0.141901  4.91466      0.624398 4.93491      0.884741 4.89456      0.881333 2.18767  0.202211  2.17869  0.202262  
1 1 1 66 9  12 o 0.987422 0.292919  1.06053      0.619521 0.905569     0.880746 1.21229      0.871595 0.966914 0.351538  1.06152  0.351964  
1 1 1 66 9  13 o 1.64853  0.192011  2.8027       0.63307  3.34489      0.915238 2.30532      0.876604 1.77978  0.257121  1.43548  0.31397   
1 1 1 66 9  14 o 3.13218  0.122309  9.93988      0.766186 11.1616      1.07011  8.65481      1.09751  3.30289  0.161996  2.89642  0.18946   
1 1 1 66 9  15 o 3.15889  0.117279  10.1106      0.740943 10.6779      1.09945  9.63859      1.0029   3.22305  0.17056   3.06553  0.163577  
1 1 1 66 9  16 f 2.91544  0.125172  8.64428      0.729862 8.28608      1.04707  8.9828       1.01791  2.82639  0.185231  2.94984  0.172536  
1 1 1 66 9  17 o 0.983791 0.317858  1.08809      0.711505 -0.287671    0.966274 2.71745      1.05157  0.70421  0.319078  1.51522  0.353194  
1 1 1 66 9  18 o 0.535554 0.253735  -0.734881    0.730209 -2.29341     1.05027  0.723393     1.01593  0.520619 0.258845  0.916365 0.366577  
1 1 1 66 9  19 o 2.13033  0.180403  4.74154      0.768636 4.30658      1.0748   5.19686      1.09966  1.97689  0.27184   2.18626  0.251493  
1 1 1 66 9  20 o 0.703811 0.297594  0.224639     0.722235 0.512781     0.962576 -0.146541    1.09251  0.839245 0.348544  0.752772 0.340274  
1 1 1 66 9  21 o 1.88531  0.214495  3.84947      0.808782 2.94704      1.10569  4.88797      1.18612  1.51685  0.367754  2.06195  0.287621  
1 1 1 66 9  22 o 1.3838   0.302978  2.31066      0.81553  1.99729      1.05056  2.78587      1.29369  1.22108  0.385411  1.40481  0.424623  
1 1 1 66 9  23 o 0.983064 0.35677   1.25001      0.906801 2.33798      1.25424  0.0584952    1.31257  1.25033  0.422213  0.801222 0.365602  
1 1 1 66 9  24 o 0.707946 0.319063  0.0966164    0.953496 0.457306     1.38735  -0.22627     1.31264  0.843846 0.38234   0.745981 0.349577  
1 1 1 66 9  25 o 0.721605 0.325087  0.178284     0.988835 1.52601      1.62248  -0.618131    1.24724  0.994301 0.433675  0.681149 0.325765  
1 1 1 66 9  26 o 0.877681 0.360558  1.17526      1.01536  1.4703       1.5737   0.964846     1.32899  0.917609 0.411901  0.845877 0.379141  
1 1 1 66 9  27 o 0.640781 0.302952  -0.17941     1.03606  0.294625     1.62841  -0.501809    1.34294  0.769078 0.368875  0.665693 0.322718  
1 1 1 66 9  28 o 0.869578 0.366441  1.46714      1.08898  1.4712       1.67792  1.46418      1.4314   0.827704 0.38946   0.837722 0.382132  
1 1 1 66 10 0  o 1.21856  0.38627   1.92434      0.825594 1.92434      0.825594 1.92434      0.825594 1.31254  0.248729  ?        ?         
1 1 1 66 10 1  o 4.28841  0.0851624 18.4753      0.730423 18.7801      1.07021  18.2095      0.99937  4.31236  0.124087  4.24845  0.117616  
1 1 1 66 10 2  o 1.7322   0.164181  3.05231      0.568789 2.83188      0.809622 3.26714      0.799257 1.6511   0.245177  1.77878  0.224664  
1 1 1 66 10 3  o 1.41404  0.18935   2.04593      0.535496 1.33739      0.714958 2.95132      0.808195 1.10501  0.310636  1.68668  0.239581  
1 1 1 66 10 4  o 3.75715  0.0932181 14.1969      0.700469 14.4403      0.992805 13.9556      0.988434 3.77855  0.131374  3.71406  0.133066  
1 1 1 66 10 5  o 1.41822  0.211725  2.07197      0.600547 2.32793      0.916614 1.87945      0.794929 1.44985  0.324295  1.30536  0.30891   
1 1 1 66 10 6  o 2.58957  0.116777  6.76952      0.604806 6.12776      0.861711 7.3926       0.849078 2.44922  0.175916  2.69579  0.157483  
1 1 1 66 10 7  o 3.59934  0.0963111 13.0425      0.693313 12.6329      1.00172  13.4192      0.960561 3.52864  0.141941  3.64036  0.131932  
1 1 1 66 10 8  f 2.85928  0.111916  8.25196      0.639998 8.18828      0.938907 8.30723      0.874689 2.8327   0.165727  2.85741  0.153056  
1 1 1 66 10 9  o 4.09128  0.0903483 16.8417      0.739281 18.2802      1.07688  15.5593      1.01672  4.24989  0.126695  3.91974  0.129692  
1 1 1 66 10 10 o 0.983617 0.281144  1.05461      0.580936 0.721008     0.810768 1.4066       0.832811 0.897101 0.335579  1.12602  0.34076   
1 1 1 66 10 11 f 0.824783 0.289931  0.662539     0.594632 0.807438     0.842754 0.518884     0.83913  0.929377 0.343228  0.846594 0.334949  
1 1 1 66 10 12 o 1.50134  0.211197  2.33976      0.634156 2.37276      0.890574 2.30582      0.903225 1.45612  0.314726  1.43172  0.32309   
1 1 1 66 10 13 o 2.37981  0.14285   5.76529      0.679912 6.29756      0.977653 5.26671      0.946201 2.46717  0.198132  2.25154  0.210123  
1 1 1 66 10 14 o 2.83553  0.12391   8.15747      0.702705 8.92762      1.02342  7.47051      0.966563 2.94609  0.173691  2.69243  0.179497  
1 1 1 66 10 15 o 1.50478  0.220275  2.38156      0.66293  2.51152      0.96153  2.26381      0.915233 1.47566  0.333596  1.40039  0.331502  
1 1 1 66 10 16 o 1.1814   0.29688   1.59495      0.701187 1.64376      0.948766 1.5362       1.04088  1.17809  0.365177  1.14398  0.384628  
1 1 1 66 10 17 o 1.68497  0.208549  2.99258      0.702801 3.07703      0.955679 2.89311      1.03713  1.64514  0.301713  1.56889  0.340103  
1 1 1 66 10 18 o 2.97231  0.133034  9.04302      0.790837 8.28769      1.07719  9.92612      1.16475  2.81058  0.191632  3.07767  0.189227  
1 1 1 66 10 19 o 1.13615  0.319828  1.54123      0.757387 2.1739       1.04748  0.848074     1.09641  1.31364  0.378183  0.944528 0.37958   
1 1 1 66 10 20 o 1.28516  0.30665   1.9765       0.778322 2.60923      1.07095  1.26821      1.1331   1.42879  0.371405  1.03166  0.393875  
1 1 1 66 10 21 o 0.805302 0.332881  0.521415     0.87158  2.51538      1.19783  -1.72215     1.27059  1.35453  0.408422  0.623526 0.304977  
1 1 1 66 10 22 o 0.674012 0.302996  -0.053934    0.854421 0.0646067    1.15701  -0.196117    1.26715  0.777669 0.350924  0.768139 0.354067  
1 1 1 66 10 23 o 1.07578  0.353852  1.58657      0.880971 0.581543     1.33656  2.35864      1.17147  0.864713 0.384132  1.25195  0.408043  
1 1 1 66 10 24 o 1.93708  0.266859  4.48926      1.03385  4.44315      1.53709  4.52735      1.3971   1.65453  0.451884  1.75127  0.406384  
1 1 1 66 10 25 o 0.759741 0.334018  0.497334     0.978405 1.26685      1.53276  -0.0318372   1.27105  0.924853 0.41104   0.73342  0.343745  
1 1 1 66 10 26 o 0.898252 0.362042  1.32627      1.00158  2.29506      1.54507  0.624111     1.31538  1.01643  0.432746  0.78314  0.360891  
1 1 1 66 10 27 o 0.833188 0.353849  1.07529      1.02849  2.15494      1.60473  0.322651     1.33985  0.971259 0.427388  0.741101 0.348509  
1 1 1 66 10 28 o 0.701712 0.32566   0.602154     1.09585  -1.28112     1.68114  1.99361      1.44505  0.614444 0.309167  0.866013 0.391409  
1 1 1 66 11 0  o 0.722324 0.399335  0.786177     0.82962  0.786177     0.82962  0.786177     0.82962  0.715752 0.349807  ?        ?         
1 1 1 66 11 1  o 2.1145   0.146493  4.53619      0.619519 5.14288      0.867607 3.90506      0.884914 2.23946  0.193709  1.94222  0.22781   
1 1 1 66 11 2  o 3.69451  0.0943875 13.7326      0.697431 12.6654      1.00233  14.7343      0.971042 3.53461  0.141789  3.81744  0.127185  
1 1 1 66 11 3  o 1.17443  0.257755  1.49465      0.588938 1.1349       0.840346 1.84191      0.825618 1.03716  0.345597  1.28742  0.321316  
1 1 1 66 11 4  f 0.650265 0.269318  0.158637     0.572252 0.0767626    0.834333 0.231368     0.786369 0.740586 0.316734  0.758214 0.31497   
1 1 1 66 11 5  f 0.899928 0.271068  0.866257     0.52782  1.23925      0.724693 0.444845     0.770291 1.06383  0.317058  0.807329 0.320441  
1 1 1 66 11 6  o 3.21057  0.100397  10.3853      0.644666 9.97564      0.942967 10.7448      0.883341 3.13213  0.150531  3.25572  0.13566   
1 1 1 66 11 7  f 6.7658   0.0898651 46.0541      1.21602  44.5866      1.72293  47.5107      1.71651  6.63543  0.129828  6.85254  0.125246  
1 1 1 66 11 8  o 1.02585  0.276356  1.15175      0.579792 1.61929      0.824382 0.694133     0.815588 1.20262  0.332032  0.890432 0.33585   
1 1 1 66 11 9  o 1.10304  0.265734  1.33057      0.580145 1.37942      0.809561 1.279        0.831788 1.11573  0.335634  1.08094  0.343121  
1 1 1 66 11 10 o 0.94716  0.289915  0.969241     0.600537 1.30109      0.833137 0.610351     0.866417 1.08686  0.343236  0.877773 0.342206  
1 1 1 66 11 11 o 2.86545  0.117676  8.30933      0.674389 8.5049       0.964143 8.12198      0.943649 2.88171  0.167286  2.81599  0.167552  
1 1 1 66 11 12 o 0.7666   0.291139  0.491048     0.616404 1.26733      0.881966 -0.250197    0.861835 1.07355  0.354052  0.680781 0.305225  
1 1 1 66 11 13 o 2.41654  0.142515  5.95219      0.688789 4.60683      0.970989 7.31489      0.977229 2.09372  0.231882  2.66249  0.183518  
1 1 1 66 11 14 o 1.95941  0.174105  3.9625       0.682288 3.92807      0.967272 3.99659      0.962546 1.9186   0.252078  1.93699  0.248464  
1 1 1 66 11 15 o 0.508966 0.242805  -0.767928    0.681846 -0.799841    0.935251 -0.731721    0.996181 0.618743 0.291029  0.65168  0.305234  
1 1 1 66 11 16 o 0.554538 0.258299  -0.507573    0.697467 -0.29337     0.949539 -0.75856     1.02784  0.695567 0.315658  0.657896 0.308486  
1 1 1 66 11 17 o 1.372    0.272916  2.11918      0.722298 3.02712      0.991371 1.09189      1.05452  1.61674  0.317923  1.01064  0.381683  
1 1 1 66 11 18 o 0.640162 0.280614  -0.00526972  0.686379 -0.432992    0.917529 0.538249     1.0343   0.654575 0.301556  0.867494 0.36085   
1 1 1 66 11 19 o 2.87492  0.151855  8.57491      0.873138 8.42618      1.11004  8.81626      1.41401  2.81439  0.197209  2.82776  0.250024  
1 1 1 66 11 20 o 0.720768 0.313245  0.170718     0.840547 0.120828     1.13851  0.230493     1.2462   0.794061 0.353543  0.836488 0.371341  
1 1 1 66 11 21 o 1.14612  0.351754  1.69214      0.883251 1.0985       1.21554  2.3562       1.28561  0.980932 0.397406  1.28344  0.427461  
1 1 1 66 11 22 o 0.849363 0.335746  0.800677     0.842437 0.84993      1.27926  0.762961     1.11944  0.911734 0.391137  0.876505 0.37055   
1 1 1 66 11 23 o 0.824159 0.342575  0.725861     0.931137 -0.393634    1.41251  1.58621      1.23828  0.746216 0.35324   1.02721  0.406735  
1 1 1 66 11 24 o 1.30912  0.361049  2.45192      0.975404 2.45454      1.43782  2.44969      1.32762  1.17594  0.445222  1.19857  0.432011  
1 1 1 66 11 25 o 0.613789 0.289943  -0.313471    0.947183 -0.855563    1.46773  0.0734084    1.23993  0.672867 0.328801  0.720286 0.337934  
1 1 1 66 11 26 o 0.705158 0.323459  0.301735     1.04294  0.314323     1.51087  0.290278     1.44146  0.760354 0.362423  0.751684 0.356306  
1 1 1 66 11 27 o 0.855946 0.365105  1.38438      1.10348  1.50299      1.6157   1.28068      1.51069  0.838545 0.391572  0.817934 0.380661  
1 1 1 66 12 0  o 0.911153 0.43363   1.29664      0.895173 1.29664      0.895173 1.29664      0.895173 0.972797 0.354508  ?        ?         
1 1 1 66 12 1  o 4.2066   0.0873746 17.7956      0.7351   19.8546      1.04736  15.7966      1.03199  4.43308  0.11813   3.9497   0.130641  
1 1 1 66 12 2  o 2.02964  0.152185  4.19043      0.617758 5.09364      0.820083 3.00556      0.939283 2.22913  0.183947  1.68584  0.27858   
1 1 1 66 12 3  o 2.95129  0.113685  8.79412      0.671032 8.5665       0.954904 9.01618      0.94317  2.89773  0.164767  2.97501  0.158515  
1 1 1 66 12 4  o 3.43502  0.0962626 11.8813      0.661328 12.0873      0.988459 11.7144      0.889817 3.4503   0.143242  3.40092  0.13082   
1 1 1 66 12 5  o 2.61475  0.112631  6.90226      0.589001 6.87423      0.812431 6.93333      0.855158 2.59806  0.156353  2.60684  0.164022  
1 1 1 66 12 6  o 1.62562  0.172398  2.7022       0.560505 2.23536      0.776423 3.21028      0.809991 1.4317   0.281175  1.75662  0.230553  
1 1 1 66 12 7  o 4.31563  0.0934608 18.749       0.806684 18.7686      1.14409  18.7296      1.13758  4.30327  0.132933  4.29907  0.132306  
1 1 1 66 12 8  o 2.88033  0.114194  8.37975      0.657836 8.53329      0.973    8.25047      0.892805 2.88973  0.168355  2.84545  0.156883  
1 1 1 66 12 9  o 0.65121  0.272384  0.136638     0.594378 0.351177     0.831268 -0.0877882   0.850208 0.799024 0.326905  0.709048 0.311552  
1 1 1 66 12 10 o 1.46221  0.208614  2.21945      0.610075 0.893675     0.848151 3.64079      0.878186 0.951565 0.345069  1.86349  0.235629  
1 1 1 66 12 11 o 2.51855  0.131451  6.43988      0.662132 6.68205      0.946511 6.20779      0.926599 2.54633  0.185858  2.45312  0.188862  
1 1 1 66 12 12 o 0.65403  0.278185  0.0884897    0.637397 0.310786     0.936211 -0.103579    0.870233 0.817397 0.34187   0.70909  0.313111  
1 1 1 66 12 13 o 0.686163 0.29026   0.143293     0.687577 -1.84933     0.900707 2.92618      1.06443  0.497959 0.24605   1.58947  0.344538  
1 1 1 66 12 14 o 1.27513  0.277135  1.82674      0.687003 2.50824      0.950886 1.08254      0.993664 1.46962  0.331409  1.01136  0.372834  
1 1 1 66 12 15 o 0.624246 0.276861  -0.11366     0.690561 -0.264767    0.945901 0.0587885    1.0105   0.699154 0.316298  0.777823 0.340724  
1 1 1 66 12 16 f 1.60293  0.215057  2.72264      0.689444 2.98691      0.940719 2.41599      1.01337  1.61703  0.302093  1.4159   0.35756   
1 1 1 66 12 17 o 0.627784 0.277715  -0.0715763   0.688839 0.474961     0.961289 -0.64841     0.987573 0.83813  0.348211  0.651117 0.304781  
1 1 1 66 12 18 o 1.12123  0.321113  1.51246      0.757127 1.69326      0.959067 1.21342      1.23346  1.16279  0.368371  1.03691  0.407406  
1 1 1 66 12 19 o 0.807427 0.334006  0.510157     0.878505 0.973384     1.1844   -0.0563911   1.30984  0.961838 0.391313  0.810937 0.368738  
1 1 1 66 12 20 o 0.971148 0.344675  1.14577      0.842199 0.233769     1.28617  1.83035      1.11432  0.841268 0.375131  1.16498  0.397967  
1 1 1 66 12 21 f 0.710091 0.311533  0.168119     0.847448 -1.07759     1.27859  1.14413      1.13174  0.669851 0.322632  0.967157 0.386903  
1 1 1 66 12 22 o 0.786607 0.327788  0.582877     0.855818 0.673352     1.28073  0.509884     1.15036  0.867708 0.381817  0.822468 0.361886  
1 1 1 66 12 23 o 0.808859 0.338529  0.681622     0.918967 1.905        1.40496  -0.233154    1.2149   1.07598  0.430813  0.718735 0.33672   
1 1 1 66 12 24 o 1.04516  0.374406  1.74836      0.995818 2.06177      1.49026  1.49553      1.33853  1.04185  0.433246  0.952735 0.404103  
1 1 1 66 12 25 o 0.739588 0.328054  0.561952     0.969913 2.36384      1.48032  -0.793455    1.28389  1.0365   0.431459  0.633267 0.309055  
1 1 1 66 12 26 f 0.946734 0.376783  1.61641      1.0676   1.90424      1.5222   1.33776      1.49773  0.942671 0.415458  0.866826 0.39419   
1 1 1 66 12 27 o 0.535678 0.266463  -1.18812     1.1198   -0.908658    1.65515  -1.424       1.52067  0.630482 0.315051  0.587695 0.29528   
1 1 1 66 13 0  o 0.911496 0.425931  1.28877      0.860477 1.28877      0.860477 1.28877      0.860477 0.977455 0.3438    ?        ?         
1 1 1 66 13 1  o 0.845279 0.285963  0.722966     0.575357 0.524166     0.795073 0.941527     0.833654 0.835733 0.327404  0.96978  0.343049  
1 1 1 66 13 2  o 0.684319 0.279071  0.232668     0.603835 0.848992     0.811096 -0.533621    0.904407 0.936707 0.337667  0.656012 0.30104   
1 1 1 66 13 3  o 2.96741  0.115868  8.89523      0.687653 9.62882      1.02036  8.28481      0.930775 3.071    0.166129  2.84961  0.163316  
1 1 1 66 13 4  o 1.52305  0.184288  2.37971      0.561359 2.15612      0.757412 2.65223      0.836184 1.40612  0.279249  1.58709  0.263433  
1 1 1 66 13 5  o 1.61861  0.177346  2.68301      0.574107 2.90078      0.766614 2.40491      0.866319 1.66975  0.229559  1.47634  0.303808  
1 1 1 66 13 6  o 3.07602  0.100367  9.53538      0.61746  9.76143      0.852225 9.28561      0.895848 3.10181  0.137375  3.0217   0.148236  
1 1 1 66 13 7  o 3.47284  0.0964395 12.1514      0.669837 13.668       0.956847 10.694       0.938019 3.67189  0.130294  3.24283  0.14463   
1 1 1 66 13 8  o 4.06091  0.0897758 16.6054      0.729143 15.9694      1.02154  17.2659      1.04107  3.96808  0.128719  4.12717  0.126124  
1 1 1 66 13 9  o 5.54579  0.0927012 30.9879      1.0282   29.2727      1.51388  32.4566      1.40088  5.36374  0.141122  5.65915  0.123771  
1 1 1 66 13 10 o 1.56363  0.198596  2.5311       0.621062 1.79088      0.853858 3.36265      0.905001 1.25395  0.334277  1.78303  0.253782  
1 1 1 66 13 11 f 1.78838  0.188768  3.31013      0.675178 2.61513      0.88297  4.28867      1.04772  1.53099  0.299033  2.00514  0.261258  
1 1 1 66 13 12 o 2.56271  0.138848  6.70312      0.711654 6.24237      0.949649 7.2933       1.07479  2.4497   0.193829  2.64276  0.203346  
1 1 1 66 13 13 o 2.88735  0.133923  8.50985      0.773366 9.2705       1.00029  7.37954      1.21937  2.99674  0.166896  2.63601  0.23129   
1 1 1 66 13 14 o 2.11355  0.169156  4.62395      0.71504  4.29128      0.957921 5.04254      1.07454  2.00267  0.239161  2.16552  0.248101  
1 1 1 66 13 15 o 0.810691 0.305561  0.617921     0.67472  0.950095     0.9082   0.20875      1.00798  0.95458  0.355549  0.80199  0.345699  
1 1 1 66 13 16 o 1.7585   0.209538  3.2813       0.736943 4.19643      0.957338 1.95035      1.15453  1.96901  0.243102  1.24312  0.405083  
1 1 1 66 13 17 o 0.567114 0.267305  -0.6825      0.79706  -0.386916    1.05915  -1.06849     1.21034  0.707682 0.325181  0.674721 0.322264  
1 1 1 66 13 18 o 1.01767  0.351208  1.26095      0.869148 1.77711      1.18683  0.663967     1.27637  1.15882  0.409376  0.919883 0.392531  
1 1 1 66 13 19 o 1.4824   0.297547  2.61748      0.851097 3.09966      1.30219  2.2579       1.12453  1.49786  0.41863   1.29191  0.396983  
1 1 1 66 13 20 o 1.75649  0.232465  3.42735      0.816646 3.61172      1.18826  3.26231      1.12423  1.66584  0.366565  1.58479  0.362411  
1 1 1 66 13 21 o 1.05044  0.3546    1.50002      0.884698 1.21368      1.34168  1.7203       1.17678  0.973686 0.408356  1.08422  0.404545  
1 1 1 66 13 22 o 0.980826 0.359831  1.34328      0.924599 1.06934      1.44514  1.53312      1.20306  0.932664 0.408016  1.01468  0.401182  
1 1 1 66 13 23 o 1.46836  0.326487  2.88335      0.933677 3.40406      1.37991  2.44367      1.26801  1.42215  0.440316  1.20501  0.423403  
1 1 1 66 13 24 o 0.747007 0.331953  0.535489     0.999223 2.31203      1.46349  -1.0159      1.36761  1.0522   0.432667  0.640768 0.314162  
1 1 1 66 13 25 o 0.655262 0.304937  0.033126     0.969263 1.49338      1.45484  -1.13235     1.29973  0.897003 0.399505  0.609879 0.300379  
1 1 1 66 13 26 o 0.667305 0.313409  0.197215     1.07679  -0.0777818   1.58921  0.430619     1.4641   0.696258 0.340675  0.726992 0.348951  
1 1 1 66 14 0  o 6.4646   0.122991  42.0787      1.58888  42.0787      1.58888  42.0787      1.58888  6.47571  0.0867829 ?        ?         
1 1 1 66 14 1  o 3.42897  0.1032    11.854       0.707736 11.4348      1.00194  12.2715      0.999847 3.35287  0.149415  3.47552  0.143841  
1 1 1 66 14 2  o 1.61231  0.19392   2.67477      0.625319 1.59385      0.900465 3.68156      0.869041 1.19172  0.353067  1.88044  0.231073  
1 1 1 66 14 3  o 1.70486  0.166386  2.96888      0.567329 2.89128      0.793104 3.05019      0.811875 1.66413  0.238294  1.7095   0.23746   
1 1 1 66 14 4  o 1.75524  0.169204  3.15107      0.593987 3.683        0.810891 2.53518      0.872541 1.88471  0.215123  1.5178   0.298059  
1 1 1 66 14 5  o 1.51471  0.195305  2.36656      0.591664 2.59661      0.802492 2.09257      0.87578  1.56971  0.255618  1.36349  0.325247  
1 1 1 66 14 6  o 1.1634   0.255747  1.4799       0.578936 1.66215      0.769194 1.24174      0.879283 1.21603  0.314136  1.06634  0.353513  
1 1 1 66 14 7  o 3.25008  0.103478  10.6622      0.672627 11.6228      0.904547 9.47417      1.006    3.38284  0.133696  3.04181  0.165362  
1 1 1 66 14 8  o 1.07726  0.283631  1.28743      0.619532 1.10559      0.80713  1.54821      0.966569 1.01282  0.338698  1.16822  0.36978   
1 1 1 66 14 9  o 3.23271  0.106719  10.5613      0.689984 11.2972      0.922301 9.62598      1.0398   3.33154  0.13842   3.06173  0.169806  
1 1 1 66 14 10 o 0.840887 0.295804  0.713658     0.619067 1.32862      0.730875 -0.847818    1.16462  1.08377  0.31717   0.704878 0.33013   
1 1 1 66 14 11 o 0.538216 0.245833  -0.325574    0.595298 -0.763204    0.701849 0.796521     1.12384  0.520643 0.247657  0.966087 0.385922  
1 1 1 66 14 12 o 3.12256  0.125069  9.92857      0.781071 9.96227      0.994436 9.87431      1.26196  3.1102   0.159867  3.06741  0.205704  
1 1 1 66 14 13 f 2.76634  0.142501  7.84366      0.788411 7.81218      0.980986 7.90109      1.32496  2.74175  0.178898  2.71348  0.244144  
1 1 1 66 14 14 o 1.76707  0.209824  3.29844      0.741548 5.11545      0.91861  -0.100633    1.25642  2.20103  0.208677  0.82141  0.368397  
1 1 1 66 14 15 o 0.478233 0.232817  -1.10953     0.712294 -1.1916      0.909106 -0.979047    1.14631  0.556322 0.268867  0.669071 0.317428  
1 1 1 66 14 16 f 1.12962  0.346536  1.55634      0.85737  2.11193      1.23521  1.0398       1.191    1.26898  0.418998  0.99896  0.397839  
1 1 1 66 14 17 o 1.4702   0.28576   2.51468      0.810261 3.44298      1.24601  1.83449      1.06657  1.63404  0.386784  1.18734  0.389346  
1 1 1 66 14 18 o 0.830717 0.332649  0.649727     0.837774 0.251572     1.26996  0.956505     1.11474  0.843813 0.374695  0.947077 0.381855  
1 1 1 66 14 19 o 0.923187 0.343175  0.994898     0.845247 0.909412     1.31315  1.05537      1.10447  0.953532 0.402134  0.960818 0.382968  
1 1 1 66 14 20 o 0.648124 0.294653  -0.12244     0.835563 0.239462     1.2953   -0.380362    1.0935   0.818353 0.370183  0.688351 0.321708  
1 1 1 66 14 21 o 0.80212  0.332138  0.659302     0.870043 0.16304      1.31723  1.04336      1.15879  0.793706 0.363841  0.915057 0.381375  
1 1 1 66 14 22 o 0.75681  0.329354  0.435229     0.931587 0.0848899    1.32773  0.774942     1.30744  0.776379 0.359601  0.868574 0.383628  
1 1 1 66 14 23 o 0.691757 0.312869  0.240676     0.9249   0.984589     1.33425  -0.447449    1.28325  0.855561 0.381776  0.678919 0.326073  
1 1 1 66 14 24 o 0.752102 0.333133  0.637879     0.995447 1.91716      1.43914  -0.53564     1.37837  0.958879 0.413196  0.668442 0.324955  
1 1 1 66 14 25 o 1.00914  0.375845  1.84084      1.01481  3.15336      1.52968  0.809099     1.35624  1.14564  0.452561  0.793312 0.36591   
1 1 1 66 15 0  o 2.37493  0.1902    5.83122      0.890096 5.83122      0.890096 5.83122      0.890096 2.39529  0.132304  ?        ?         
1 1 1 66 15 1  o 2.09984  0.15182   4.49497      0.637596 3.34231      0.862314 5.88521      0.94702  1.78495  0.241552  2.38678  0.198389  
1 1 1 66 15 2  o 2.83651  0.11674   8.13937      0.662268 7.56496      0.976882 8.62789      0.900901 2.7133   0.180017  2.9078   0.154911  
1 1 1 66 15 3  o 1.73931  0.169606  3.101        0.589994 4.48155      0.824677 1.65353      0.844429 2.08183  0.198066  1.20723  0.337018  
1 1 1 66 15 4  o 3.9793   0.0904411 15.9482      0.719784 16.16        1.03061  15.7466      1.0057   3.991    0.129118  3.94027  0.127618  
1 1 1 66 15 5  o 4.4102   0.0896052 19.5872      0.790354 20.7407      1.19593  18.6927      1.0531   4.51956  0.132306  4.29523  0.12259   
1 1 1 66 15 6  o 0.572623 0.252657  -0.109346    0.56515  0.124996     0.780071 -0.368229    0.819901 0.723794 0.307801  0.642348 0.291988  
1 1 1 66 15 7  o 0.985968 0.287311  1.07256      0.600993 2.02813      0.791462 -0.2288      0.923628 1.34575  0.301577  0.708039 0.316748  
1 1 1 66 15 8  o 1.02555  0.292876  1.17467      0.630694 1.35869      0.758153 0.761186     1.13648  1.09624  0.323744  0.968924 0.38767   
1 1 1 66 15 9  o 0.996002 0.29579   1.10835      0.631489 1.55697      0.763088 0.133551     1.12484  1.16641  0.318315  0.835208 0.362664  
1 1 1 66 15 10 o 1.47838  0.204896  2.28884      0.605827 2.39228      0.712157 2.01795      1.1525   1.49961  0.237448  1.28824  0.403118  
1 1 1 66 15 11 o 3.13797  0.137701  10.0685      0.864204 9.03996      1.20731  11.1493      1.23759  2.93398  0.205747  3.27042  0.189209  
1 1 1 66 15 12 o 0.766617 0.320108  0.304677     0.81875  1.2076       1.18518  -0.519618    1.1324   1.0608   0.403458  0.726663 0.334859  
1 1 1 66 15 13 o 1.75083  0.244064  3.30029      0.854631 2.0094       1.15942  4.83621      1.26469  1.26978  0.405307  2.07845  0.304238  
1 1 1 66 15 14 o 2.50533  0.165693  6.51478      0.830231 5.53696      1.19105  7.43894      1.1579   2.24627  0.265116  2.64096  0.219219  
1 1 1 66 15 15 f 1.92368  0.213772  3.95795      0.822461 5.85212      1.27565  2.61041      1.07595  2.28784  0.27879   1.44576  0.370435  
1 1 1 66 15 16 o 1.49099  0.283655  2.57582      0.815365 2.1275       1.24077  2.91658      1.08173  1.2556   0.419939  1.52578  0.359891  
1 1 1 66 15 17 o 2.65957  0.168455  7.4437       0.896037 6.20772      1.3087   8.53441      1.22939  2.32798  0.281081  2.79979  0.21955   
1 1 1 66 15 18 o 1.36949  0.31413   2.29472      0.842557 2.0485       1.27769  2.48417      1.12078  1.2046   0.424837  1.35573  0.391482  
1 1 1 66 15 19 o 1.65967  0.261089  3.17671      0.866643 1.67987      1.27993  4.44393      1.17768  1.08412  0.417308  1.91426  0.307608  
1 1 1 66 15 20 o 1.25439  0.328388  2.07892      0.833487 2.32151      1.22597  1.87042      1.13656  1.22066  0.417427  1.11609  0.399973  
1 1 1 66 15 21 o 0.739009 0.326567  0.305685     0.949052 0.740919     1.37688  -0.0882648   1.30995  0.874572 0.389109  0.755739 0.352779  
1 1 1 66 15 22 o 0.896776 0.354818  1.14052      0.94167  0.588463     1.33217  1.69184      1.33128  0.821072 0.372951  1.00118  0.412337  
1 1 1 66 15 23 o 1.00478  0.370443  1.71129      0.98098  1.44309      1.47942  1.92175      1.31052  0.900235 0.401851  0.993311 0.409106  
1 1 1 66 15 24 o 0.611997 0.292191  -0.363741    0.992512 -1.33208     1.40205  0.608954     1.4052   0.618063 0.305779  0.786768 0.366532  
1 1 1 66 15 25 o 0.823666 0.356906  1.30758      1.08513  1.01443      1.6521   1.53         1.43908  0.768802 0.369421  0.826061 0.379352  
1 1 1 66 16 0  o 1.65859  0.285926  3.06656      0.863876 3.06656      0.863876 3.06656      0.863876 1.71049  0.183379  ?        ?         
1 1 1 66 16 1  o 3.05104  0.114923  9.4172       0.701267 10.1203      0.992655 8.7167       0.99083  3.14688  0.15772   2.91549  0.169925  
1 1 1 66 16 2  o 3.1499   0.109392  10.0267      0.689146 10.359       1.0121   9.73939      0.940978 3.18316  0.158978  3.08927  0.152298  
1 1 1 66 16 3  o 4.79     0.0847861 23.09        0.812251 22.1555      1.15933  23.9909      1.13835  4.67517  0.123988  4.86861  0.116907  
1 1 1 66 16 4  o 2.01376  0.14526   4.13294      0.58504  3.98381      0.819282 4.28812      0.835706 1.95734  0.209284  2.03207  0.205629  
1 1 1 66 16 5  o 0.683442 0.272765  0.302256     0.560949 0.930007     0.791238 -0.332089    0.795382 0.948977 0.334358  0.636087 0.288727  
1 1 1 66 16 6  o 1.02439  0.280412  1.16943      0.591071 0.943739     0.772124 1.48891      0.918637 0.948512 0.33067   1.14063  0.360439  
1 1 1 66 16 7  f 0.5224   0.241054  -0.395674    0.589386 -1.47845     0.716726 1.8658       1.03581  0.447054 0.220557  1.2564   0.37999   
1 1 1 66 16 8  o 2.77849  0.126925  7.85689      0.705318 8.72383      0.914835 6.58636      1.10749  2.91426  0.156958  2.49959  0.221535  
1 1 1 66 16 9  o 1.67582  0.193315  2.92976      0.64792  3.51757      0.846593 2.0987       1.00665  1.81933  0.232667  1.32414  0.367418  
1 1 1 66 16 10 o 1.32653  0.291552  2.002        0.752517 2.69819      1.11672  1.42291      1.01849  1.49425  0.374153  1.10691  0.380362  
1 1 1 66 16 11 o 1.54945  0.249691  2.5872       0.773767 3.37066      1.1685   1.97537      1.0326   1.6837   0.357771  1.27441  0.378192  
1 1 1 66 16 12 o 1.16327  0.321885  1.58856      0.773711 1.38982      1.17284  1.74168      1.0295   1.09874  0.405056  1.19548  0.381957  
1 1 1 66 16 13 o 0.686489 0.298086  0.0674838    0.759914 0.0576922    1.11975  0.0758435    1.03465  0.801959 0.35451   0.780312 0.343271  
1 1 1 66 16 14 o 0.975603 0.32711   1.10554      0.752843 1.50196      1.09901  0.755058     1.03338  1.10649  0.393631  0.910745 0.367469  
1 1 1 66 16 15 o 0.623395 0.284934  -0.306701    0.801276 0.60318      1.18633  -1.06999     1.08658  0.897483 0.38054   0.628987 0.301595  
1 1 1 66 16 16 o 1.8656   0.224556  3.80283      0.837865 1.70264      1.21329  5.71743      1.15845  1.13137  0.412476  2.25875  0.256436  
1 1 1 66 16 17 o 2.06987  0.205355  4.63196      0.850118 3.74297      1.26067  5.37335      1.15127  1.69257  0.381529  2.1765   0.264476  
1 1 1 66 16 18 o 0.979933 0.34642   1.22074      0.849998 0.741475     1.29614  1.58238      1.12591  0.906075 0.391305  1.0741   0.396711  
1 1 1 66 16 19 o 0.599993 0.281133  -0.42657     0.848047 -0.829823    1.28408  -0.11462     1.1294   0.68301  0.327587  0.725941 0.334484  
1 1 1 66 16 20 o 1.29017  0.337751  2.25875      0.881697 1.81893      1.25662  2.68523      1.23741  1.07398  0.413472  1.30109  0.419061  
1 1 1 66 16 21 o 0.649998 0.302681  -0.227158    0.956909 -0.425707    1.35766  -0.0311555   1.34893  0.720706 0.343532  0.76078  0.356129  
1 1 1 66 16 22 o 0.74178  0.326312  0.539533     0.934892 0.559068     1.32474  0.520151     1.31955  0.788597 0.362912  0.783251 0.361139  
1 1 1 66 16 23 o 0.762309 0.335939  0.695918     0.994964 2.79138      1.54558  -0.787019    1.3002   1.08917  0.445708  0.633855 0.309675  
1 1 1 66 16 24 o 0.673664 0.313214  0.19295      1.01962  -0.489309    1.45297  0.8549       1.43118  0.669219 0.327048  0.790686 0.368956  
1 1 1 66 17 0  o 1.86939  0.241563  3.7581       0.869353 3.7581       0.869353 3.7581       0.869353 1.90588  0.164068  ?        ?         
1 1 1 66 17 1  o 0.794299 0.299419  0.555167     0.647933 1.24057      0.939593 -0.0662895   0.894687 1.06411  0.365364  0.725139 0.319104  
1 1 1 66 17 2  o 1.75978  0.170697  3.18589      0.600778 2.12963      0.829771 4.34968      0.870983 1.37285  0.309584  2.04045  0.213429  
1 1 1 66 17 3  o 2.52147  0.12219   6.45373      0.616198 7.98192      0.864049 4.87214      0.879015 2.79189  0.154743  2.16294  0.203199  
1 1 1 66 17 4  o 2.16211  0.144675  4.77608      0.625609 5.47784      0.83307  3.86849      0.947407 2.30196  0.180948  1.90714  0.248384  
1 1 1 66 17 5  o 0.824066 0.289947  0.686101     0.594822 0.837719     0.786362 0.483326     0.909398 0.912974 0.332145  0.843532 0.342986  
1 1 1 66 17 6  o 1.24766  0.252842  1.71636      0.608913 1.74597      0.770915 1.66724      0.992862 1.23317  0.312137  1.18855  0.374605  
1 1 1 66 17 7  o 2.29626  0.137355  5.38743      0.630807 6.14761      0.806949 4.193        1.01151  2.44123  0.165275  1.97423  0.256177  
1 1 1 66 17 8  o 2.54002  0.157076  6.64234      0.797953 6.19744      1.18887  7.00707      1.07644  2.40326  0.247345  2.58095  0.208536  
1 1 1 66 17 9  f 1.7469   0.212593  3.22154      0.742757 3.11667      1.10243  3.30871      1.00513  1.6246   0.34932   1.70526  0.305801  
1 1 1 66 17 10 o 1.58971  0.234585  2.70249      0.745847 3.36762      1.12133  2.17473      0.998841 1.69279  0.343174  1.3415   0.363332  
1 1 1 66 17 11 o 0.772497 0.311869  0.432173     0.744928 0.138903     1.07802  0.700183     1.03055  0.807427 0.352821  0.909387 0.366948  
1 1 1 66 17 12 o 1.11644  0.322632  1.47773      0.760934 2.34875      1.13133  0.758158     1.02828  1.36221  0.39331   0.916956 0.367972  
1 1 1 66 17 13 o 2.19656  0.186046  5.08219      0.817324 5.27662      1.22195  4.92478      1.09947  2.16827  0.281779  2.11166  0.260333  
1 1 1 66 17 14 o 0.847279 0.326965  0.716811     0.786777 0.92495      1.19307  0.556639     1.0466   0.961841 0.392264  0.86013  0.360696  
1 1 1 66 17 15 o 2.00168  0.210387  4.33221      0.842254 3.57534      1.22298  5.01504      1.16164  1.66671  0.375842  2.09679  0.277004  
1 1 1 66 17 16 o 2.75712  0.165228  7.99961      0.911105 7.85864      1.31678  8.12908      1.26196  2.65141  0.248318  2.7144   0.232456  
1 1 1 66 17 17 o 0.839241 0.330484  0.742965     0.813358 0.49229      1.19588  0.95873      1.10949  0.851488 0.371845  0.928309 0.37838   
1 1 1 66 17 18 o 0.802383 0.329271  0.636089     0.845885 0.0893266    1.22339  1.1369       1.17086  0.777395 0.354254  0.949244 0.388105  
1 1 1 66 17 19 o 0.934307 0.351635  1.17256      0.892883 1.59556      1.27032  0.759517     1.25526  1.02651  0.410216  0.868837 0.380179  
1 1 1 66 17 20 o 0.645532 0.298916  -0.194249    0.916621 0.544557     1.39995  -0.74865     1.21271  0.843075 0.38278   0.659559 0.316826  
1 1 1 66 17 21 o 1.44881  0.339695  3.02566      0.968262 2.53441      1.36612  3.52155      1.37256  1.13679  0.432928  1.37888  0.441076  
1 1 1 66 17 22 o 0.644015 0.299345  0.0134903    0.930491 0.0260818    1.3428   0.001859     1.29058  0.714614 0.34087   0.704998 0.335579  
1 1 1 66 17 23 o 0.86576  0.360488  1.23357      1.03382  1.05727      1.54829  1.37542      1.38878  0.834467 0.387202  0.87523  0.390054  
1 1 1 66 17 24 o 0.633222 0.301849  0.0830146    1.04854  0.499616     1.52411  -0.291354    1.4448   0.70912  0.343779  0.645151 0.317768  
1 1 1 66 18 0  o 2.27487  0.197717  5.39795      0.883925 5.39795      0.883925 5.39795      0.883925 2.29967  0.137009  ?        ?         
1 1 1 66 18 1  o 1.70833  0.187171  3.03038      0.639501 2.16406      0.943002 3.76804      0.870165 1.35945  0.345892  1.88688  0.230583  
1 1 1 66 18 2  o 1.85555  0.169931  3.55312      0.630632 3.02041      0.84911  4.20844      0.941767 1.67935  0.252809  1.99052  0.236563  
1 1 1 66 18 3  o 0.875671 0.290863  0.823685     0.595244 0.932446     0.778959 0.671045     0.922809 0.938542 0.331645  0.890308 0.351566  
1 1 1 66 18 4  o 4.26268  0.0945523 18.3567      0.806092 18.2907      1.10311  18.4323      1.18083  4.23566  0.130217  4.24634  0.13904   
1 1 1 66 18 5  o 2.52975  0.128162  6.52297      0.648437 7.06625      0.85016  5.76732      1.00265  2.61807  0.162364  2.33934  0.214301  
1 1 1 66 18 6  o 0.883949 0.29003   0.852236     0.591839 -0.00690366  0.734988 2.43666      0.998122 0.666612 0.291308  1.43329  0.350603  
1 1 1 66 18 7  o 2.18244  0.171008  4.93441      0.746427 4.66211      1.07241  5.19029      1.03957  2.07587  0.258303  2.20425  0.235811  
1 1 1 66 18 8  o 1.87464  0.207498  3.70374      0.777968 2.4869       1.14359  4.752        1.06142  1.41936  0.390715  2.09729  0.253046  
1 1 1 66 18 9  o 0.680392 0.295026  0.0561736    0.742429 0.175026     1.13081  -0.0338735   0.984281 0.830103 0.362054  0.749187 0.331625  
1 1 1 66 18 10 o 0.556447 0.261355  -0.633436    0.749033 -0.652919    1.08434  -0.615655    1.0359   0.687128 0.320834  0.675076 0.314578  
1 1 1 66 18 11 o 2.37221  0.170896  5.8679       0.810803 4.26485      1.17664  7.31733      1.11884  1.9391   0.303397  2.61935  0.213573  
1 1 1 66 18 12 o 1.15203  0.322093  1.59728      0.770723 1.44221      1.14394  1.72619      1.04298  1.0878   0.400129  1.16826  0.385016  
1 1 1 66 18 13 o 1.05765  0.333213  1.36611      0.785678 1.07375      1.12693  1.64262      1.09595  0.984745 0.388618  1.12914  0.393925  
1 1 1 66 18 14 f 0.658234 0.292827  -0.0390329   0.779604 0.101054     1.13303  -0.164988    1.07436  0.789461 0.352059  0.732737 0.333386  
1 1 1 66 18 15 o 1.32147  0.308277  2.12416      0.800613 1.89586      1.15813  2.33313      1.10801  1.17842  0.405536  1.31483  0.392078  
1 1 1 66 18 16 o 1.53412  0.286037  2.80615      0.844954 2.67812      1.1919   2.9355       1.19801  1.37891  0.405511  1.45385  0.399767  
1 1 1 66 18 17 o 1.71599  0.258879  3.42115      0.888468 2.04414      1.26001  4.78284      1.25299  1.15818  0.420529  1.95892  0.319815  
1 1 1 66 18 18 o 1.08583  0.347869  1.64088      0.853517 1.18088      1.23824  2.05731      1.17812  0.943847 0.393857  1.14818  0.407643  
1 1 1 66 18 19 o 0.735337 0.322271  0.347551     0.904927 1.00805      1.29318  -0.286225    1.26675  0.905767 0.391011  0.721558 0.339188  
1 1 1 66 18 20 o 1.16867  0.3584    2.07895      0.917183 2.33256      1.34459  1.85827      1.2543   1.116    0.428192  1.0287   0.408717  
1 1 1 66 18 21 o 0.614217 0.29001   -0.263571    0.946087 1.13891      1.371    -1.5386      1.30722  0.856019 0.384352  0.58678  0.291331  
1 1 1 66 18 22 o 0.99603  0.371939  1.71368      0.995121 2.2258       1.48201  1.29319      1.34288  1.01271  0.427155  0.874974 0.387323  
1 1 1 66 18 23 o 0.793124 0.34354   1.06686      1.00464  1.62855      1.49486  0.604174     1.35673  0.846993 0.387987  0.732667 0.346528  
1 1 1 66 19 0  o 1.05275  0.444584  1.70187      0.939852 1.70187      0.939852 1.70187      0.939852 1.16037  0.330819  ?        ?         
1 1 1 66 19 1  o 2.3469   0.139765  5.63675      0.656032 5.25303      0.912501 6.04726      0.94383  2.23711  0.203946  2.40449  0.196264  
1 1 1 66 19 2  o 1.2572   0.260828  1.76148      0.63386  2.34993      0.832126 0.94804      0.978347 1.43648  0.299472  0.969647 0.367216  
1 1 1 66 19 3  o 1.47331  0.205996  2.28287      0.606991 2.21219      0.785444 2.38767      0.95642  1.39681  0.290762  1.42408  0.340013  
1 1 1 66 19 4  o 1.87596  0.166107  3.63851      0.623218 4.15743      0.815443 2.90969      0.966382 1.98842  0.205048  1.59218  0.314675  
1 1 1 66 19 5  o 2.42991  0.129218  6.02687      0.627976 6.49566      0.820869 5.36537      0.975096 2.5073   0.163696  2.25174  0.216521  
1 1 1 66 19 6  o 2.97597  0.110525  8.99248      0.65784  10.0475      0.834716 7.26306      1.06871  3.13492  0.133132  2.62733  0.203383  
1 1 1 66 19 7  o 3.53878  0.118875  12.7523      0.841345 12.1038      1.20029  13.3788      1.17966  3.41104  0.175942  3.5953   0.164056  
1 1 1 66 19 8  o 3.20278  0.134726  10.5079      0.862998 8.86746      1.22335  12.1329      1.21759  2.89181  0.21152   3.41069  0.178497  
1 1 1 66 19 9  o 0.883285 0.327054  0.807619     0.766196 0.464657     1.1019   1.12866      1.06611  0.869561 0.367626  1.01355  0.383483  
1 1 1 66 19 10 o 1.38652  0.282447  2.20953      0.756072 2.61445      1.09386  1.83911      1.04622  1.44383  0.375376  1.2075   0.38497   
1 1 1 66 19 11 f 2.43523  0.162733  6.18278      0.792587 6.02627      1.14039  6.32902      1.10236  2.34509  0.243143  2.41594  0.228142  
1 1 1 66 19 12 o 1.1854   0.319193  1.71476      0.773678 1.88556      1.13819  1.56805      1.05485  1.19153  0.402206  1.10596  0.386407  
1 1 1 66 19 13 o 2.34044  0.184788  5.82438      0.864969 4.93835      1.24253  6.65749      1.20485  2.05556  0.302236  2.44685  0.246204  
1 1 1 66 19 14 o 1.00292  0.335004  1.24395      0.789621 0.903557     1.1321   1.56642      1.1019   0.933111 0.381587  1.09157  0.393563  
1 1 1 66 19 15 o 0.924557 0.339218  1.03129      0.821718 1.03032      1.12567  1.03239      1.20228  0.94621  0.382805  0.954012 0.392203  
1 1 1 66 19 16 o 1.07725  0.346482  1.55764      0.846117 1.70742      1.21711  1.41756      1.17707  1.08094  0.409518  1.01409  0.398129  
1 1 1 66 19 17 o 0.947418 0.343312  1.20264      0.8394   2.67645      1.23136  -0.0767671   1.14728  1.30765  0.417721  0.728367 0.336179  
1 1 1 66 19 18 o 0.917053 0.350315  1.12873      0.896741 0.90074      1.32856  1.31952      1.21535  0.893002 0.390935  0.963451 0.39491   
1 1 1 66 19 19 o 0.693325 0.312236  0.190855     0.911401 -0.115308    1.35957  0.440726     1.22824  0.740387 0.349015  0.788189 0.35804   
1 1 1 66 19 20 o 0.637263 0.296908  -0.0672191   0.92231  -1.15156     1.32009  0.966872     1.28914  0.619012 0.30491   0.835795 0.374048  
1 1 1 66 19 21 o 0.949606 0.369598  1.5658       1.00981  1.40901      1.45783  1.71042      1.4001   0.883662 0.39656   0.931832 0.404615  
1 1 1 66 19 22 o 0.5669   0.275067  -0.646121    0.979422 0.161221     1.47582  -1.28156     1.30931  0.722951 0.347819  0.588688 0.29218   
1 1 1 66 20 0  o 1.0709   0.449755  1.76642      0.962945 1.76642      0.962945 1.76642      0.962945 1.18317  0.332755  ?        ?         
1 1 1 66 20 1  o 1.79963  0.180031  3.37027      0.647981 2.51662      0.889815 4.33406      0.945483 1.47777  0.310877  2.01327  0.234813  
1 1 1 66 20 2  o 1.62369  0.197111  2.76522      0.640092 2.47274      0.841804 3.16611      0.985549 1.47348  0.296069  1.66431  0.307659  
1 1 1 66 20 3  o 1.25918  0.243394  1.75058      0.591076 1.48133      0.755442 2.17559      0.949143 1.12599  0.320208  1.34874  0.349202  
1 1 1 66 20 4  o 2.42517  0.129394  6.00884      0.627604 5.6575       0.817529 6.51306      0.979364 2.33248  0.175249  2.49031  0.196635  
1 1 1 66 20 5  o 0.834797 0.283627  0.746606     0.565995 0.911942     0.709699 0.457689     0.938163 0.913903 0.317173  0.832824 0.344876  
1 1 1 66 20 6  o 1.70798  0.214344  3.09959      0.73219  3.99269      1.08123  2.34314      0.995076 1.89564  0.285188  1.38949  0.356374  
1 1 1 66 20 7  o 2.65895  0.150319  7.29731      0.79938  6.78051      1.14417  7.79011      1.1173   2.51299  0.227651  2.71041  0.206112  
1 1 1 66 20 8  o 2.73938  0.153086  7.76778      0.838718 6.76101      1.1635   8.85683      1.21012  2.50123  0.232586  2.88283  0.209884  
1 1 1 66 20 9  o 1.14391  0.323646  1.57748      0.773669 1.38189      1.13477  1.74736      1.05757  1.07155  0.397767  1.17321  0.387701  
1 1 1 66 20 10 o 0.908695 0.326969  0.926489     0.760213 0.18889      1.07203  1.67261      1.0782   0.796609 0.349934  1.14122  0.391431  
1 1 1 66 20 11 o 2.25773  0.183244  5.40742      0.82743  5.13226      1.16754  5.68507      1.17281  2.12451  0.274777  2.24961  0.260668  
1 1 1 66 20 12 o 1.43707  0.303497  2.47976      0.845254 2.12399      1.21725  2.81106      1.17463  1.23948  0.41594   1.44931  0.394669  
1 1 1 66 20 13 o 0.844337 0.332507  0.724731     0.823388 1.47157      1.13528  -0.104097    1.19598  1.06489  0.397346  0.769905 0.350685  
1 1 1 66 20 14 o 0.975444 0.345741  1.20139      0.847169 0.125648     1.14329  2.51128      1.26159  0.77982  0.35053   1.30852  0.423303  
1 1 1 66 20 15 o 2.30693  0.197406  5.82279      0.910807 6.54532      1.28144  5.08508      1.29482  2.35718  0.271815  2.01874  0.3207    
1 1 1 66 20 16 o 1.87604  0.235783  4.04152      0.884679 3.83048      1.29815  4.22453      1.20886  1.61554  0.402726  1.77347  0.353345  
1 1 1 66 20 17 o 0.574423 0.273213  -0.583916    0.853984 -0.768023    1.27296  -0.433248    1.15157  0.67556  0.324534  0.680629 0.320953  
1 1 1 66 20 18 o 0.891067 0.351788  1.09534      0.92379  1.84439      1.29548  0.320406     1.31768  1.04358  0.415137  0.789777 0.362819  
1 1 1 66 20 19 o 1.0428   0.370327  1.80945      0.972358 2.1399       1.44118  1.53333      1.31738  1.02622  0.426357  0.931356 0.39815   
1 1 1 66 20 20 o 0.503676 0.248728  -1.23381     0.916993 -1.51734     1.30159  -0.954391    1.29211  0.582089 0.289234  0.619353 0.304208  
1 1 1 66 20 21 f 0.698558 0.317079  0.382708     0.959191 -0.70234     1.36822  1.43135      1.34507  0.647193 0.316536  0.877911 0.388256  
1 1 1 66 20 22 o 1.00593  0.377507  2.1342       1.02765  0.645367     1.47805  3.52739      1.42979  0.719494 0.346626  1.13237  0.439985  
1 1 1 66 21 0  o 0.47094  0.324923  -0.451873    0.962954 -0.451873    0.962954 -0.451873    0.962954 0.3815   0.265277  ?        ?         
1 1 1 66 21 1  o 1.32211  0.251473  1.94504      0.640973 2.4012       0.896842 1.46874      0.916421 1.43035  0.321369  1.10895  0.360902  
1 1 1 66 21 2  o 1.3475   0.247074  2.01423      0.641027 1.94562      0.857133 2.10132      0.965633 1.27781  0.332317  1.31381  0.357871  
1 1 1 66 21 3  o 3.91773  0.0952607 15.542       0.746411 16.1908      1.01905  14.7909      1.09635  3.97866  0.128064  3.79116  0.144594  
1 1 1 66 21 4  o 2.3813   0.133489  5.81435      0.635758 6.42514      0.824989 4.92124      0.997599 2.48661  0.165886  2.13718  0.233392  
1 1 1 66 21 5  o 0.836919 0.311177  0.707309     0.695052 0.510076     1.02497  0.875218     0.945712 0.858541 0.358304  0.928621 0.358448  
1 1 1 66 21 6  o 0.998826 0.326757  1.17014      0.751218 -0.272143    1.12246  2.34028      1.01102  0.745671 0.339671  1.37293  0.36272   
1 1 1 66 21 7  o 0.887698 0.328549  0.841432     0.773054 -0.587176    1.13823  2.06467      1.05324  0.704886 0.328964  1.27085  0.382936  
1 1 1 66 21 8  o 2.56295  0.160355  6.84808      0.821963 6.44326      1.13802  7.28961      1.18849  2.42966  0.234192  2.58856  0.229565  
1 1 1 66 21 9  f 1.93717  0.209785  4.04431      0.812777 3.20692      1.17895  4.8028       1.12204  1.57783  0.377995  2.06025  0.272307  
1 1 1 66 21 10 o 1.39423  0.288345  2.29511      0.776767 1.91233      1.10821  2.66479      1.08907  1.19476  0.396874  1.42988  0.375859  
1 1 1 66 21 11 o 1.14197  0.333357  1.63695      0.808374 1.19296      1.15391  2.06484      1.1328   1.00149  0.393872  1.23163  0.401253  
1 1 1 66 21 12 o 2.61247  0.169796  7.21089      0.887172 8.26316      1.25016  6.14337      1.25919  2.73761  0.228331  2.31594  0.271853  
1 1 1 66 21 13 o 2.59035  0.176974  7.17457      0.91685  7.12206      1.2312   7.23995      1.37372  2.50677  0.245575  2.48927  0.275929  
1 1 1 66 21 14 o 1.0075   0.350205  1.36196      0.865508 2.72913      1.20707  -0.0847419   1.24168  1.35323  0.41039   0.757974 0.349804  
1 1 1 66 21 15 o 1.62447  0.26532   3.13746      0.862007 1.89196      1.24089  4.29902      1.19835  1.09883  0.414319  1.79812  0.34555   
1 1 1 66 21 16 o 0.914351 0.34279   1.11278      0.846908 1.22032      1.24206  1.01934      1.1578   0.945231 0.394451  0.902456 0.378951  
1 1 1 66 21 17 o 0.84242  0.340484  0.896694     0.889314 2.62726      1.27426  -0.746639    1.24173  1.23904  0.425481  0.65959  0.317753  
1 1 1 66 21 18 o 0.946609 0.359555  1.43576      0.940255 -0.0231698   1.30968  2.98751      1.35071  0.720312 0.340582  1.23667  0.436741  
1 1 1 66 21 19 o 1.64766  0.3118    3.79967      0.990102 3.21892      1.41313  4.35967      1.38765  1.22104  0.445151  1.53269  0.433381  
1 1 1 66 21 20 o 0.96185  0.362747  1.58319      0.951364 1.54661      1.33016  1.6215       1.36125  0.905561 0.393812  0.915391 0.398242  
1 1 1 66 21 21 o 0.714013 0.325702  0.690195     1.03988  -0.270942    1.53965  1.4964       1.4101   0.658707 0.324567  0.81131  0.373791  
1 1 1 66 22 0  o 0.853294 0.445139  1.24782      0.981533 1.24782      0.981533 1.24782      0.981533 0.903611 0.382101  ?        ?         
1 1 1 66 22 1  f 1.01932  0.293379  1.21184      0.630451 0.754068     0.888031 1.67703      0.895196 0.884441 0.346111  1.16923  0.353184  
1 1 1 66 22 2  o 3.02986  0.116733  9.37094      0.707369 8.92661      0.94542  9.93603      1.06617  2.93021  0.161323  3.08269  0.172929  
1 1 1 66 22 3  o 0.998458 0.318164  1.17298      0.71468  0.501052     1.10499  1.6562       0.937064 0.869692 0.367934  1.15527  0.363889  
1 1 1 66 22 4  o 2.38875  0.160704  5.93878      0.767761 6.8526       1.20272  5.3103       0.997426 2.50578  0.239989  2.21715  0.224934  
1 1 1 66 22 5  o 1.77093  0.212163  3.36502      0.751453 3.85736      1.11259  2.95203      1.019    1.83056  0.303893  1.55925  0.336342  
1 1 1 66 22 6  o 1.55387  0.242048  2.65348      0.752222 1.3534       1.11135  3.75264      1.02187  1.05336  0.393118  1.81894  0.280897  
1 1 1 66 22 7  o 0.862995 0.328268  0.785728     0.784672 1.28818      1.13178  0.320668     1.08885  1.03092  0.393631  0.81882  0.356201  
1 1 1 66 22 8  o 1.57986  0.252712  2.78878      0.798501 2.19666      1.13197  3.37526      1.12655  1.27548  0.399587  1.63921  0.353697  
1 1 1 66 22 9  o 1.62963  0.245067  2.95612      0.798736 2.03789      1.17137  3.75409      1.09197  1.22046  0.408027  1.75998  0.32222   
1 1 1 66 22 10 o 0.735648 0.311038  0.324024     0.788895 0.708997     1.13666  -0.0337675   1.0958   0.893219 0.375293  0.754185 0.340856  
1 1 1 66 22 11 o 1.41266  0.309458  2.44761      0.850375 3.0349       1.22708  1.90494      1.17955  1.47907  0.403658  1.16414  0.40843   
1 1 1 66 22 12 f 2.29159  0.20383   5.75081      0.934191 5.54324      1.36716  5.93261      1.27948  2.11526  0.323167  2.23527  0.286203  
1 1 1 66 22 13 o 1.22921  0.342498  2.03203      0.872931 2.63444      1.18821  1.32563      1.28669  1.32558  0.408219  0.987886 0.405866  
1 1 1 66 22 14 o 1.98748  0.221333  4.47422      0.87979  4.52062      1.26333  4.43054      1.22593  1.82533  0.358842  1.81899  0.34945   
1 1 1 66 22 15 o 1.62357  0.264524  3.15211      0.858947 2.59065      1.22486  3.69537      1.20485  1.27244  0.417239  1.6067   0.380363  
1 1 1 66 22 16 o 1.0523   0.350369  1.61713      0.863709 0.880062     1.22478  2.34628      1.21818  0.863182 0.376637  1.17963  0.414949  
1 1 1 66 22 17 o 0.80287  0.334101  0.849738     0.887192 0.577733     1.299    1.08755      1.21461  0.790501 0.361929  0.8612   0.375427  
1 1 1 66 22 18 o 1.08277  0.362522  1.95692      0.924667 1.86145      1.33132  2.04589      1.28525  0.963752 0.405601  1.00639  0.408263  
1 1 1 66 22 19 o 2.52759  0.218133  7.60164      1.1027   6.13679      1.51208  9.26563      1.61158  1.92811  0.404984  2.58455  0.311772  
1 1 1 66 22 20 o 0.610895 0.288458  -0.044907    0.936253 -0.589825    1.30367  0.53549      1.34544  0.619645 0.304742  0.721978 0.343175  
1 1 1 66 23 0  o 2.40022  0.204707  6.08157      0.966236 6.08157      0.966236 6.08157      0.966236 2.43375  0.14146   ?        ?         
1 1 1 66 23 1  o 2.30608  0.174082  5.58941      0.802896 3.84813      1.21813  6.927        1.06763  1.76216  0.358089  2.53844  0.210292  
1 1 1 66 23 2  o 2.87099  0.138222  8.51083      0.793669 8.79554      1.24272  8.31471      1.03142  2.85195  0.217872  2.80335  0.183962  
1 1 1 66 23 3  f 0.930735 0.32615   1.00579      0.751979 -0.659657    1.1417   2.28186      0.999371 0.690372 0.323967  1.33713  0.364     
1 1 1 66 23 4  o 1.87119  0.205231  3.76467      0.768051 3.16108      1.15609  4.24155      1.0276   1.56922  0.37329   1.94129  0.26467   
1 1 1 66 23 5  o 0.782138 0.311407  0.54884      0.729544 -0.349835    1.11107  1.22994      0.967271 0.717774 0.331116  1.0056   0.368126  
1 1 1 66 23 6  o 1.50362  0.276715  2.63103      0.800983 3.0155       1.19633  2.31865      1.07835  1.50664  0.392966  1.32265  0.384674  
1 1 1 66 23 7  o 1.82172  0.225289  3.63688      0.820827 3.63266      1.16842  3.641        1.15338  1.69767  0.355568  1.70555  0.350155  
1 1 1 66 23 8  o 0.70315  0.304611  0.17626      0.790071 0.367024     1.10835  -0.020814    1.12653  0.823945 0.358913  0.764555 0.34557   
1 1 1 66 23 9  o 1.01422  0.348178  1.29764      0.853245 1.77748      1.26508  0.897209     1.15567  1.13123  0.419972  0.928885 0.383599  
1 1 1 66 23 10 f 0.565721 0.269695  -0.709844    0.837512 0.00676065   1.21992  -1.34871     1.15185  0.777876 0.354279  0.608115 0.29605   
1 1 1 66 23 11 f 1.07091  0.343641  1.52967      0.832653 2.02429      1.17341  1.028        1.18173  1.1678   0.407589  0.932359 0.386639  
1 1 1 66 23 12 o 1.01078  0.348253  1.39159      0.85428  0.0583194    1.17617  2.88031      1.24285  0.757376 0.345774  1.37224  0.416482  
1 1 1 66 23 13 o 0.715847 0.312701  0.296495     0.846229 1.12985      1.18292  -0.577005    1.21108  0.929778 0.386278  0.681641 0.324754  
1 1 1 66 23 14 o 1.73735  0.250585  3.55393      0.870705 2.30305      1.29559  4.58425      1.17583  1.17584  0.426475  1.90094  0.309277  
1 1 1 66 23 15 o 1.57494  0.291281  3.17447      0.882963 3.68925      1.24549  2.65435      1.25193  1.5456   0.399951  1.24548  0.421824  
1 1 1 66 23 16 o 1.03508  0.35045   1.67737      0.86411  3.37358      1.21111  -0.0814672   1.23327  1.41181  0.406718  0.701948 0.331339  
1 1 1 66 23 17 o 0.704331 0.314614  0.421783     0.908166 0.136547     1.27925  0.7116       1.28949  0.717336 0.338266  0.787239 0.360505  
1 1 1 66 23 18 o 0.803231 0.337847  0.903359     0.922784 0.441672     1.28028  1.40253      1.33124  0.755484 0.351147  0.89134  0.390759  
1 1 1 66 23 19 o 0.696168 0.317333  0.474814     0.983252 1.04507      1.3991   -0.0816838   1.38211  0.78904  0.366873  0.676455 0.327765  
1 1 1 66 24 0  o 1.03724  0.496227  1.90447      1.1738   1.90447      1.1738   1.90447      1.1738   1.15825  0.398837  ?        ?         
1 1 1 66 24 1  o 1.67241  0.260826  3.14955      0.872415 3.93444      1.22076  2.33026      1.24723  1.76998  0.357366  1.29399  0.421032  
1 1 1 66 24 2  o 0.690633 0.298281  0.163969     0.753226 -0.157664    1.14828  0.406886     0.997921 0.753971 0.34348   0.81024  0.346456  
1 1 1 66 24 3  o 2.50005  0.164582  6.56774      0.822929 5.17587      1.20753  7.77476      1.12449  2.12051  0.284727  2.68061  0.209746  
1 1 1 66 24 4  f 0.830257 0.317115  0.719831     0.734741 1.56499      1.12557  0.0923112    0.969882 1.09389  0.397435  0.742576 0.328882  
1 1 1 66 24 5  o 0.996306 0.322957  1.21683      0.734082 0.849993     1.11091  1.50116      0.978032 0.919724 0.377371  1.07829  0.372517  
1 1 1 66 24 6  o 0.94844  0.330636  1.08603      0.771962 1.99452      1.16438  0.373524     1.03116  1.20195  0.406806  0.806758 0.348725  
1 1 1 66 24 7  o 1.61048  0.252224  2.92868      0.8124   2.24155      1.16431  3.58062      1.1341   1.26371  0.406442  1.67904  0.349292  
1 1 1 66 24 8  o 1.76135  0.244198  3.50635      0.860238 3.55946      1.26968  3.46128      1.1696   1.60485  0.397204  1.61525  0.36984   
1 1 1 66 24 9  o 1.25847  0.341174  2.08917      0.880204 2.03594      1.31762  2.13207      1.18285  1.15639  0.428747  1.20015  0.410021  
1 1 1 66 24 10 f 0.56675  0.267597  -0.556728    0.805486 -0.508224    1.13951  -0.605168    1.13875  0.67903  0.319926  0.667922 0.316644  
1 1 1 66 24 11 o 0.639357 0.29148   -0.105923    0.830232 0.690244     1.16351  -0.931809    1.18503  0.848974 0.368746  0.641213 0.309271  
1 1 1 66 24 12 o 2.51512  0.183226  6.91098      0.921673 6.95047      1.29123  6.86996      1.31601  2.41035  0.26785   2.38434  0.27597   
1 1 1 66 24 13 o 1.45444  0.32379   2.80366      0.917321 2.97699      1.28155  2.62155      1.31362  1.35283  0.425439  1.24675  0.431625  
1 1 1 66 24 14 o 1.78222  0.25169   3.83673      0.897134 4.75331      1.26092  2.89705      1.27671  1.8298   0.357296  1.28853  0.425978  
1 1 1 66 24 15 o 0.875383 0.341876  1.14997      0.865534 0.819133     1.17536  1.54192      1.27934  0.812409 0.360645  0.935813 0.395902  
1 1 1 66 24 16 o 0.52924  0.258454  -0.894853    0.90311  -1.01686     1.32526  -0.789076    1.234    0.621665 0.306225  0.620942 0.303031  
1 1 1 66 24 17 o 0.816535 0.340386  0.962213     0.923398 1.73901      1.3516   0.28229      1.26451  0.945385 0.40369   0.734493 0.343999  
1 1 1 66 24 18 o 0.535872 0.261431  -0.737765    0.91578  -2.35778     1.3165   0.781086     1.27473  0.523636 0.264299  0.759626 0.352037  
1 1 1 66 25 0  o 1.00363  0.503789  1.85628      1.22956  1.85628      1.22956  1.85628      1.22956  1.11279  0.419201  ?        ?         
1 1 1 66 25 1  o 3.25322  0.150414  11.0493      0.97866  10.0651      1.36608  12.0869      1.40271  3.02592  0.22573   3.33597  0.21024   
1 1 1 66 25 2  o 2.07065  0.215321  4.67586      0.891706 4.37973      1.28964  4.94713      1.23431  1.85683  0.360121  2.04971  0.301093  
1 1 1 66 25 3  o 3.35309  0.145324  11.7152      0.97457  11.3362      1.41888  12.0537      1.34092  3.21449  0.220701  3.34031  0.200718  
1 1 1 66 25 4  o 3.40422  0.141986  12.0685      0.966703 10.932       1.32384  13.3669      1.41496  3.16707  0.209     3.51238  0.201425  
1 1 1 66 25 5  o 1.3299   0.304815  2.17772      0.793819 1.21589      1.13829  3.08837      1.1076   0.986573 0.390182  1.52806  0.366572  
1 1 1 66 25 6  o 2.59599  0.164227  7.1498       0.852664 7.11856      1.23766  7.17803      1.17637  2.50072  0.247461  2.52915  0.232563  
1 1 1 66 25 7  o 1.27428  0.337785  2.13514      0.874957 1.85242      1.28641  2.37852      1.19355  1.11317  0.421224  1.26405  0.411872  
1 1 1 66 25 8  f 2.94264  0.163764  9.24024      0.963796 9.05082      1.41022  9.40626      1.32025  2.79486  0.252287  2.88441  0.22886   
1 1 1 66 25 9  o 1.03814  0.355233  1.50089      0.887858 1.53944      1.28797  1.46598      1.22559  1.02089  0.410933  1.00694  0.402706  
1 1 1 66 25 10 o 1.39601  0.317574  2.5406       0.866941 1.84553      1.20869  3.27708      1.24417  1.08727  0.409137  1.47101  0.40857   
1 1 1 66 25 11 o 0.595738 0.279743  -0.423662    0.856396 -0.0629898   1.19173  -0.80881     1.2315   0.734192 0.340301  0.660873 0.317898  
1 1 1 66 25 12 o 0.883287 0.347337  1.02811      0.89725  0.999829     1.3274   1.05191      1.21752  0.899513 0.392297  0.902183 0.384126  
1 1 1 66 25 13 o 0.794157 0.335231  0.768127     0.913951 2.00233      1.29198  -0.468169    1.29307  1.04566  0.415013  0.681928 0.32747   
1 1 1 66 25 14 o 0.616342 0.287178  -0.113405    0.863019 -1.81622     1.22414  1.56927      1.21688  0.552806 0.275483  0.941183 0.391448  
1 1 1 66 25 15 o 0.544381 0.263919  -0.720269    0.898326 -1.44391     1.31885  -0.0939362   1.22697  0.589564 0.292701  0.682527 0.325629  
1 1 1 66 25 16 o 1.18599  0.362781  2.28808      0.940555 2.82952      1.37866  1.81667      1.28641  1.1535   0.43619   0.964727 0.401936  
1 1 1 66 25 17 o 1.10529  0.356457  2.11891      0.8951   2.80168      1.29581  1.4958       1.2379   1.10504  0.421406  0.861975 0.377356  
1 1 1 66 26 0  o 1.10229  0.498006  2.15228      1.17207  2.15228      1.17207  2.15228      1.17207  1.25852  0.37845   ?        ?         
1 1 1 66 26 1  o 1.70016  0.249998  3.30018      0.850071 3.41194      1.2063   3.18992      1.19811  1.57697  0.385241  1.51333  0.392582  
1 1 1 66 26 2  o 1.19938  0.350481  1.9199       0.893105 2.63179      1.26461  1.21153      1.26148  1.32545  0.423314  0.980926 0.402248  
1 1 1 66 26 3  o 0.93758  0.352926  1.10707      0.899525 2.37159      1.25299  -0.237727    1.29215  1.25228  0.422003  0.755705 0.351836  
1 1 1 66 26 4  o 1.04372  0.35554   1.47203      0.889393 0.165224     1.19461  3.09714      1.33219  0.784643 0.35519   1.42366  0.431011  
1 1 1 66 26 5  o 0.725939 0.318486  0.251786     0.885702 1.06702      1.1662   -0.859336    1.36149  0.932813 0.38529   0.700157 0.336175  
1 1 1 66 26 6  o 2.24602  0.216734  5.65193      0.973577 5.60658      1.46743  5.68758      1.3012   2.02479  0.37644   2.1466   0.303083  
1 1 1 66 26 7  o 0.91648  0.352504  1.10045      0.912905 0.727052     1.40991  1.37001      1.19792  0.88334  0.393358  0.984034 0.396221  
1 1 1 66 26 8  o 0.886713 0.340359  1.00899      0.84983  0.993434     1.27269  1.02151      1.14164  0.908721 0.389998  0.905566 0.378052  
1 1 1 66 26 9  o 0.685377 0.30968   0.0642239    0.903946 1.00112      1.3554   -0.686319    1.21314  0.91224  0.397137  0.669282 0.320375  
1 1 1 66 26 10 o 0.816801 0.337802  0.747858     0.898238 0.272478     1.27211  1.22055      1.2685   0.788911 0.359968  0.938497 0.395489  
1 1 1 66 26 11 o 1.64372  0.300249  3.51027      0.950392 4.66167      1.39616  2.51601      1.29739  1.73118  0.409202  1.19078  0.427275  
1 1 1 66 26 12 o 1.01239  0.352931  1.61027      0.879579 1.2758       1.34044  1.86318      1.16562  0.895935 0.392445  1.02367  0.397365  
1 1 1 66 26 13 o 0.573342 0.274306  -0.473284    0.886374 -0.929661    1.29058  -0.0658088   1.21948  0.627015 0.306843  0.693037 0.328137  
1 1 1 66 26 14 f 0.556034 0.269094  -0.682354    0.922559 0.69483      1.33354  -1.94651     1.27764  0.786286 0.362733  0.550891 0.275446  
1 1 1 66 26 15 o 0.795683 0.333926  0.892381     0.898164 2.62907      1.29524  -0.716173    1.24655  1.12918  0.423805  0.629043 0.306548  
1 1 1 66 26 16 o 0.721357 0.318269  0.6744       0.896663 1.28575      1.29202  0.106355     1.24541  0.818784 0.370081  0.676793 0.324124  
1 1 1 66 27 0  o 0.716747 0.447174  0.881021     1.26904  0.881021     1.26904  0.881021     1.26904  0.699756 0.40417   ?        ?         
1 1 1 66 27 1  o 2.90968  0.171127  9.10479      0.995851 9.2125       1.33532  8.96981      1.49483  2.84079  0.235026  2.74558  0.272226  
1 1 1 66 27 2  o 2.35974  0.200233  6.14865      0.944998 5.86718      1.26104  6.5092       1.4272   2.19988  0.286614  2.27878  0.313149  
1 1 1 66 27 3  o 1.72318  0.265207  3.52052      0.913997 2.56329      1.23045  4.69892      1.36521  1.27972  0.418189  1.82967  0.385188  
1 1 1 66 27 4  o 0.628056 0.293402  -0.332561    0.908301 0.692711     1.24367  -1.50461     1.32971  0.85803  0.376911  0.630817 0.309442  
1 1 1 66 27 5  o 0.68654  0.309519  0.0693429    0.898051 -0.517867    1.23336  0.732003     1.3102   0.693541 0.329142  0.869958 0.384162  
1 1 1 66 27 6  f 0.592397 0.282571  -0.632327    0.922736 -1.10787     1.24584  -0.0544715   1.37334  0.638731 0.310018  0.772159 0.360742  
1 1 1 66 27 7  o 0.867792 0.346652  0.940204     0.906755 -0.18039     1.22139  2.3162       1.35344  0.725241 0.339358  1.16983  0.434374  
1 1 1 66 27 8  o 0.930667 0.35742   1.20049      0.937567 2.17459      1.23631  -0.118021    1.43835  1.15     0.416653  0.769216 0.361545  
1 1 1 66 27 9  f 1.95727  0.257484  4.62408      1.00793  4.15578      1.35326  5.20756      1.51053  1.62369  0.41509   1.8188   0.422889  
1 1 1 66 27 10 o 0.901259 0.344078  1.21575      0.864674 1.22594      1.25661  1.20659      1.19165  0.892904 0.38545   0.889734 0.379461  
1 1 1 66 27 11 o 0.839489 0.336992  1.01838      0.862818 1.12666      1.25561  0.921504     1.18765  0.862406 0.378776  0.827368 0.365504  
1 1 1 66 27 12 o 0.874343 0.345734  1.20569      0.893575 2.18912      1.32935  0.395069     1.20692  1.02954  0.416212  0.740226 0.342854  
1 1 1 66 27 13 f 0.970792 0.364983  1.60385      0.961459 0.116075     1.33687  3.19782      1.38376  0.724003 0.343162  1.23806  0.441565  
1 1 1 66 27 14 o 0.488889 0.242166  -1.27197     0.886082 0.275605     1.31906  -2.5446      1.19616  0.729561 0.343872  0.496916 0.251045  
1 1 1 66 27 15 o 0.781394 0.332147  1.01927      0.907639 2.44504      1.32617  -0.237034    1.24487  0.988434 0.40972   0.636456 0.309221  
1 1 1 66 28 0  o 1.34302  0.550555  3.25329      1.45242  3.25329      1.45242  3.25329      1.45242  1.58487  0.373353  ?        ?         
1 1 1 66 28 1  o 2.07774  0.24769   5.04844      1.02927  4.74638      1.43467  5.36881      1.47749  1.79047  0.409372  1.93213  0.395983  
1 1 1 66 28 2  o 0.754516 0.332851  0.35546      0.980234 0.259804     1.36695  0.456721     1.40642  0.808424 0.370611  0.839141 0.381703  
1 1 1 66 28 3  o 1.50644  0.348593  3.10088      1.03028  3.82822      1.44435  2.34745      1.47005  1.52983  0.445279  1.15741  0.446872  
1 1 1 66 28 4  o 0.568533 0.274732  -0.901426    0.947959 -1.39471     1.27655  -0.294985    1.41541  0.62128  0.304301  0.750373 0.35445   
1 1 1 66 28 5  o 1.33245  0.358056  2.51904      0.974782 1.4269       1.29559  3.94381      1.4798   0.978433 0.405235  1.53205  0.452251  
1 1 1 66 28 6  o 1.00591  0.362469  1.48293      0.934544 1.71157      1.23082  1.17167      1.43608  1.03321  0.406646  0.929435 0.406668  
1 1 1 66 28 7  o 0.786154 0.337695  0.655089     0.955697 -0.422273    1.23758  2.24672      1.50423  0.68451  0.326684  1.08449  0.441067  
1 1 1 66 28 8  o 2.1454   0.247955  5.61622      1.06393  4.18253      1.31737  8.30519      1.80415  1.59806  0.410148  2.33122  0.386953  
1 1 1 66 28 9  o 0.993327 0.37002   1.64428      0.983685 1.72783      1.36364  1.55363      1.42038  0.96108  0.407771  0.928688 0.405405  
1 1 1 66 28 10 o 0.833446 0.35012   1.03377      0.989009 1.24404      1.41147  0.830947     1.38621  0.868018 0.389855  0.813514 0.373057  
1 1 1 66 28 11 o 0.837604 0.346959  1.07829      0.949971 -0.205996    1.301    2.5451       1.39038  0.684577 0.328676  1.08201  0.430185  
1 1 1 66 28 12 o 0.614357 0.288779  -0.190699    0.917953 -0.548847    1.31673  0.147958     1.2804   0.659433 0.319643  0.721268 0.339621  
1 1 1 66 28 13 o 0.652841 0.301845  0.146184     0.930131 -1.43648     1.30964  1.75699      1.32124  0.580924 0.288858  0.920639 0.396304  
1 1 1 66 28 14 o 0.589785 0.280872  -0.0876788   0.905058 -1.09351     1.34012  0.755811     1.22721  0.579944 0.288899  0.722212 0.338362  
1 1 1 66 29 0  o 0.640428 0.427649  0.404805     1.44095  0.404805     1.44095  0.404805     1.44095  0.586853 0.379966  ?        ?         
1 1 1 66 29 1  o 1.05066  0.382954  1.7123       1.04577  1.11457      1.52779  2.23926      1.43451  0.919994 0.409582  1.11571  0.439041  
1 1 1 66 29 2  o 0.71869  0.326861  0.158764     1.0304   -0.705352    1.51865  0.895935     1.40267  0.719019 0.347499  0.877954 0.391613  
1 1 1 66 29 3  o 0.564532 0.276406  -1.19754     1.05075  -2.31197     1.54178  -0.230989    1.43585  0.613067 0.306024  0.742357 0.353647  
1 1 1 66 29 4  o 1.21688  0.382866  2.36579      1.03773  1.66176      1.39868  3.22791      1.54777  0.979098 0.414072  1.26213  0.465313  
1 1 1 66 29 5  o 0.925207 0.363921  1.34751      0.98522  0.940652     1.31761  1.86345      1.48376  0.848788 0.379053  0.989454 0.422752  
1 1 1 66 29 6  o 0.774613 0.33689   0.684852     0.973558 1.80281      1.22772  -1.20904     1.59796  0.997468 0.401331  0.671927 0.330979  
1 1 1 66 29 7  o 1.1819   0.375815  2.31065      0.997534 2.55505      1.29164  1.94944      1.57028  1.14073  0.424187  0.972808 0.425449  
1 1 1 66 29 8  o 1.94756  0.273554  4.9106       1.06552  4.51419      1.50604  5.30789      1.50772  1.51012  0.45849   1.72102  0.437054  
1 1 1 66 29 9  o 1.2533   0.391462  2.75564      1.08748  2.80923      1.58475  2.70796      1.49504  1.08016  0.447823  1.08396  0.440098  
1 1 1 66 29 10 o 1.92799  0.285599  4.91332      1.10126  4.58982      1.51825  5.27249      1.59979  1.52027  0.460101  1.63962  0.465879  
1 1 1 66 29 11 o 0.79434  0.34275   0.902238     0.992775 -0.249644    1.32176  2.39321      1.50378  0.678009 0.326922  1.01436  0.429184  
1 1 1 66 29 12 o 1.00841  0.377413  2.00413      1.02577  0.9712       1.37972  3.28065      1.5338   0.778132 0.362774  1.09742  0.445699  
1 1 1 66 29 13 o 0.936448 0.371207  1.86635      1.03245  1.77405      1.39563  1.97793      1.53445  0.843135 0.382642  0.852773 0.391661  
1 1 1 66 30 0  o 0.616739 0.426644  0.18986      1.67806  0.18986      1.67806  0.18986      1.67806  0.560688 0.378282  ?        ?         
1 1 1 66 30 1  o 0.882923 0.377743  1.23398      1.18744  1.85797      1.69586  0.633788     1.66321  0.960013 0.429343  0.822701 0.387293  
1 1 1 66 30 2  o 1.01373  0.396336  1.86541      1.1639   -0.301425    1.63584  4.08694      1.65636  0.737267 0.357066  1.35443  0.483102  
1 1 1 66 30 3  o 0.603498 0.291967  -0.691661    1.0826   -1.51889     1.51461  0.17243      1.54798  0.633085 0.314221  0.764709 0.365056  
1 1 1 66 30 4  o 0.840395 0.357527  1.04852      1.05321  0.386393     1.45864  1.76974      1.52233  0.772303 0.363313  0.945486 0.416157  
1 1 1 66 30 5  o 0.621091 0.298433  -0.462702    1.07792  -1.34218     1.46327  0.580837     1.59392  0.62894  0.311456  0.797067 0.376368  
1 1 1 66 30 6  o 0.809522 0.354125  0.939138     1.08847  0.515209     1.47224  1.45024      1.61653  0.774756 0.364623  0.881881 0.40376   
1 1 1 66 30 7  o 0.532779 0.265417  -1.67521     1.13181  -0.57186     1.70975  -2.53585     1.51003  0.71219  0.349848  0.570617 0.287722  
1 1 1 66 30 8  o 0.591914 0.285615  -0.593724    1.01334  -1.89977     1.39377  0.870809     1.47592  0.581997 0.290579  0.821384 0.379945  
1 1 1 66 30 9  o 0.770733 0.339141  0.764166     1.01042  0.854413     1.33513  0.643193     1.54579  0.800207 0.366605  0.786731 0.371239  
1 1 1 66 30 10 o 0.796936 0.34718   1.01883      1.03726  0.448487     1.44043  1.63312      1.4949   0.73706  0.351926  0.868245 0.394564  
1 1 1 66 30 11 o 0.449016 0.22699   -2.07916     0.985428 -2.00513     1.33847  -2.16678     1.45617  0.530249 0.267438  0.54357  0.274802  
1 1 1 66 31 0  o 0.612569 0.432169  -0.00577826  1.95652  -0.00577826  1.95652  -0.00577826  1.95652  0.552937 0.383948  ?        ?         
1 1 1 66 31 1  o 0.617258 0.30146   -0.801177    1.22928  -1.78228     1.63543  0.473061     1.8638   0.628404 0.313893  0.794543 0.384167  
1 1 1 66 31 2  o 0.836108 0.369463  1.08814      1.2146   -0.00929825  1.5425   2.87902      1.97046  0.73242  0.35316   1.01756  0.458633  
1 1 1 66 31 3  o 1.0016   0.391585  1.8879       1.13615  2.64411      1.59942  1.11765      1.61421  1.05228  0.443795  0.846304 0.393718  
1 1 1 66 31 4  o 1.18995  0.402717  2.60467      1.14109  2.08821      1.52829  3.25529      1.71534  0.979403 0.423963  1.13125  0.467266  
1 1 1 66 31 5  o 1.15394  0.399139  2.43318      1.12311  1.78371      1.50429  3.25116      1.6882   0.940866 0.413906  1.14437  0.466645  
1 1 1 66 31 6  o 0.798734 0.351483  0.879259     1.08543  0.349813     1.64453  1.28793      1.44484  0.772158 0.370435  0.863542 0.390779  
1 1 1 66 31 7  o 0.878635 0.368081  1.36362      1.08806  1.68984      1.60764  1.08789      1.47802  0.893838 0.406987  0.825205 0.38114   
1 1 1 66 31 8  o 0.857997 0.365664  1.39582      1.10518  1.39556      1.55151  1.39609      1.57465  0.829593 0.385964  0.828705 0.386817  
1 1 1 66 31 9  o 0.852334 0.365529  1.56054      1.11656  0.221734     1.55727  2.97699      1.60179  0.690316 0.337643  0.970169 0.426951  
1 1 1 66 32 0  o 0.822507 0.515593  1.93511      1.71217  1.93511      1.71217  1.93511      1.71217  0.907168 0.488344  ?        ?         
1 1 1 66 32 1  o 0.685011 0.321437  0.0942261    1.1235   -0.412906    1.70314  0.484922     1.49489  0.716595 0.351104  0.768971 0.36372   
1 1 1 66 32 2  o 0.567084 0.282339  -1.60332     1.27135  -2.21287     1.71855  -0.866464    1.8895   0.616385 0.310159  0.706454 0.35068   
1 1 1 66 32 3  o 0.983973 0.413898  2.12981      1.38516  2.40351      1.81649  1.74955      2.1411   0.960607 0.436111  0.880057 0.422315  
1 1 1 66 32 4  o 1.4908   0.41055   4.04403      1.26233  3.56895      1.70899  4.61445      1.87263  1.13114  0.466747  1.24544  0.49791   
1 1 1 66 32 5  o 1.17865  0.417716  2.9897       1.23657  3.21602      1.75283  2.76546      1.74473  1.02657  0.449226  0.968195 0.434179  
1 1 1 66 32 6  o 0.645147 0.309415  0.0248067    1.1453   0.28117      1.54789  -0.285341    1.70254  0.701545 0.34183   0.675209 0.334754  
1 1 1 66 32 7  o 0.525904 0.261978  -1.27741     1.10195  0.243977     1.61156  -2.61335     1.51015  0.695614 0.341046  0.533493 0.2714    
1 1 1 66 33 0  o 0.625806 0.43286   0.829735     1.7264   0.829735     1.7264   0.829735     1.7264   0.611303 0.403536  ?        ?         
1 1 1 66 33 1  o 0.721132 0.333514  0.735154     1.13658  2.79291      1.5554   -1.62258     1.66492  0.955868 0.420691  0.597996 0.301579  
1 1 1 66 33 2  o 0.712461 0.33386   0.650987     1.19697  0.881149     1.77204  0.45785      1.62326  0.743977 0.363085  0.710085 0.346718  
1 1 1 66 33 3  o 0.658837 0.317097  0.120382     1.2296   -1.42864     2.0696   0.96546      1.52864  0.645814 0.326504  0.748982 0.358792  
1 1 1 67 0  0  o 2.62384  0.239824  7.13145      1.23435  7.13145      1.23435  7.13145      1.23435  2.64777  0.166325  ?        ?         
1 1 1 67 0  1  o 5.69892  0.107404  32.5868      1.2232   32.5868      1.2232   32.5868      1.2232   5.70369  0.0758522 ?        ?         
1 1 1 67 0  2  o 1.84969  0.221542  3.59773      0.792946 3.59773      0.792946 3.59773      0.792946 1.87436  0.151864  ?        ?         
1 1 1 67 0  3  o 3.62848  0.120839  13.248       0.874724 13.248       0.874724 13.248       0.874724 3.63413  0.0852051 ?        ?         
1 1 1 67 0  4  o 5.57001  0.106025  31.1288      1.18015  31.1288      1.18015  31.1288      1.18015  5.57464  0.0748777 ?        ?         
1 1 1 67 0  5  o 1.19435  0.364621  1.80263      0.759156 1.80263      0.759156 1.80263      0.759156 1.27821  0.23321   ?        ?         
1 1 1 67 0  6  o 9.11493  0.114712  83.3629      2.09044  83.3629      2.09044  83.3629      2.09044  9.12261  0.0810311 ?        ?         
1 1 1 67 0  7  o 1.2503   0.335562  1.89477      0.723593 1.89477      0.723593 1.89477      0.723593 1.32388  0.208806  ?        ?         
1 1 1 67 0  8  f 0.335821 0.243152  -1.2504      0.77966  -1.2504      0.77966  -1.2504      0.77966  0.251602 0.185555  ?        ?         
1 1 1 67 0  9  o 7.05283  0.109042  49.9279      1.53728  49.9279      1.53728  49.9279      1.53728  7.05941  0.0770114 ?        ?         
1 1 1 67 0  10 o 1.87261  0.218898  3.69017      0.794393 3.69017      0.794393 3.69017      0.794393 1.89789  0.150147  ?        ?         
1 1 1 67 0  11 o 2.52221  0.172995  6.50375      0.863234 6.50375      0.863234 6.50375      0.863234 2.53642  0.120954  ?        ?         
1 1 1 67 0  12 o 0.483862 0.322177  -0.130386    0.803897 -0.130386    0.803897 -0.130386    0.803897 0.400838 0.267897  ?        ?         
1 1 1 67 0  13 o 1.78149  0.257037  3.42252      0.860085 3.42252      0.860085 3.42252      0.860085 1.81872  0.17065   ?        ?         
1 1 1 67 0  14 o 1.83479  0.252017  3.61588      0.886119 3.61588      0.886119 3.61588      0.886119 1.87017  0.170795  ?        ?         
1 1 1 67 0  15 o 2.3458   0.201633  5.69809      0.929906 5.69809      0.929906 5.69809      0.929906 2.36693  0.140024  ?        ?         
1 1 1 67 0  16 o 0.675964 0.397573  0.617367     0.893896 0.617367     0.893896 0.617367     0.893896 0.640591 0.350528  ?        ?         
1 1 1 67 0  17 o 2.93423  0.179696  8.81019      1.04548  8.81019      1.04548  8.81019      1.04548  2.9514   0.125759  ?        ?         
1 1 1 67 0  18 o 2.46442  0.221722  6.33594      1.07249  6.33594      1.07249  6.33594      1.07249  2.49146  0.153529  ?        ?         
1 1 1 67 0  19 o 0.960205 0.463654  1.47686      1.0271   1.47686      1.0271   1.47686      1.0271   1.02824  0.381611  ?        ?         
1 1 1 67 0  20 o 1.11846  0.456112  1.8725       0.99841  1.8725       0.99841  1.8725       0.99841  1.23138  0.332334  ?        ?         
1 1 1 67 0  21 f 0.964697 0.473368  1.54168      1.07596  1.54168      1.07596  1.54168      1.07596  1.03834  0.392502  ?        ?         
1 1 1 67 0  22 o 0.592995 0.387081  0.130873     1.08493  0.130873     1.08493  0.130873     1.08493  0.514759 0.332034  ?        ?         
1 1 1 67 0  23 o 0.51186  0.349175  -0.326591    1.05178  -0.326591    1.05178  -0.326591    1.05178  0.421278 0.289117  ?        ?         
1 1 1 67 0  24 o 0.618939 0.397435  0.332831     1.08054  0.332831     1.08054  0.332831     1.08054  0.555159 0.3466    ?        ?         
1 1 1 67 0  25 o 0.891975 0.461577  1.42368      1.04965  1.42368      1.04965  1.42368      1.04965  0.962885 0.393365  ?        ?         
1 1 1 67 0  26 o 1.00409  0.487916  1.82321      1.13915  1.82321      1.13915  1.82321      1.13915  1.12272  0.395888  ?        ?         
1 1 1 67 0  27 o 0.727139 0.451947  0.924506     1.28429  0.924506     1.28429  0.924506     1.28429  0.713622 0.408658  ?        ?         
1 1 1 67 0  28 o 0.677682 0.446283  0.597306     1.48123  0.597306     1.48123  0.597306     1.48123  0.633223 0.399419  ?        ?         
1 1 1 67 0  29 o 1.86472  0.448918  4.98468      1.45052  4.98468      1.45052  4.98468      1.45052  2.07797  0.255516  ?        ?         
1 1 1 67 0  30 o 2.84722  0.283842  9.58916      1.57947  9.58916      1.57947  9.58916      1.57947  2.9769   0.189343  ?        ?         
1 1 1 67 0  31 o 0.667822 0.441225  1.16387      1.4636   1.16387      1.4636   1.16387      1.4636   0.685861 0.41598   ?        ?         
1 1 1 67 1  0  o 1.77527  0.29848   3.45379      0.969678 3.45379      0.969678 3.45379      0.969678 1.82184  0.193145  ?        ?         
1 1 1 67 1  1  o 6.76952  0.079502  45.9444      1.07638  49.0122      1.54083  43.0203      1.50429  6.98338  0.110321  6.54119  0.114986  
1 1 1 67 1  2  o 8.3794   0.0808838 70.4047      1.35552  69.181       1.90041  71.6722      1.93401  8.29476  0.114555  8.44279  0.114536  
1 1 1 67 1  3  o 3.95178  0.0845866 15.6642      0.668535 16.4883      0.963442 14.899       0.928433 4.04828  0.118994  3.8479   0.120641  
1 1 1 67 1  4  o 1.76464  0.154981  3.1472       0.54697  2.38975      0.751274 4.00157      0.797895 1.52539  0.246257  1.98257  0.201228  
1 1 1 67 1  5  o 5.07089  0.0762223 25.7842      0.77303  25.8299      1.10857  25.7409      1.07851  5.06812  0.109367  5.0601   0.10657   
1 1 1 67 1  6  o 2.58589  0.109653  6.7268       0.5671   5.91063      0.830694 7.4392       0.77609  2.41361  0.172085  2.71384  0.142987  
1 1 1 67 1  7  o 2.55033  0.106507  6.54124      0.543258 6.57546      0.796842 6.51152      0.742589 2.54872  0.156322  2.53821  0.146282  
1 1 1 67 1  8  o 2.64636  0.11101   7.04711      0.587546 7.24368      0.861062 6.87585      0.803728 2.67382  0.161017  2.60646  0.15418   
1 1 1 67 1  9  o 3.22345  0.0939953 10.4396      0.605978 10.6506      0.875628 10.2456      0.839478 3.24777  0.134804  3.18612  0.13174   
1 1 1 67 1  10 o 3.66888  0.0930972 13.5269      0.683125 13.9114      0.960038 13.1326      0.972248 3.71214  0.129311  3.60525  0.134838  
1 1 1 67 1  11 o 1.36482  0.219599  1.91504      0.599425 1.19298      0.845885 2.64339      0.849558 1.06406  0.346734  1.569    0.280891  
1 1 1 67 1  12 o 2.5088   0.123459  6.35187      0.619467 5.73731      0.85861  7.01904      0.894615 2.37188  0.180998  2.6264   0.170312  
1 1 1 67 1  13 o 0.768135 0.289231  0.483112     0.604228 -0.706538    0.831633 1.81328      0.879379 0.600541 0.280625  1.27748  0.338638  
1 1 1 67 1  14 o 0.890868 0.29084   0.821115     0.595147 1.13394      0.837525 0.502028     0.845867 1.03793  0.345017  0.849238 0.336197  
1 1 1 67 1  15 o 3.30417  0.108528  11.0121      0.717191 11.6073      1.01452  10.4175      1.01401  3.37917  0.150114  3.19832  0.158522  
1 1 1 67 1  16 o 1.04224  0.300631  1.19163      0.661294 1.61036      0.936277 0.7748       0.934148 1.19809  0.361056  0.941647 0.358176  
1 1 1 67 1  17 o 3.07147  0.122153  9.54241      0.750377 10.3694      1.06614  8.73059      1.05632  3.18593  0.16732   2.91811  0.180994  
1 1 1 67 1  18 o 1.28306  0.283182  1.82142      0.707203 2.39147      1.0057   1.26382      0.994659 1.44455  0.35105   1.08331  0.375534  
1 1 1 67 1  19 o 2.14247  0.176788  4.72214      0.757527 5.52795      1.08597  3.95843      1.05722  2.29272  0.23683   1.92385  0.274766  
1 1 1 67 1  20 o 0.740473 0.302692  0.319463     0.712081 0.7344       1.03476  -0.0538039   0.981426 0.934263 0.371218  0.754439 0.332905  
1 1 1 67 1  21 o 0.569034 0.266623  -0.612469    0.762703 -0.401742    1.1036   -0.805143    1.05527  0.734843 0.335293  0.663064 0.311208  
1 1 1 67 1  22 o 1.85452  0.207065  3.6302       0.768014 2.79048      1.10991  4.40165      1.06383  1.51564  0.369077  2.00845  0.264839  
1 1 1 67 1  23 o 0.675981 0.295187  0.0423857    0.753556 -1.90185     1.03386  2.24591      1.10065  0.539158 0.265734  1.33001  0.389215  
1 1 1 67 1  24 o 1.77942  0.225228  3.44387      0.801551 3.51238      1.09157  3.36371      1.18081  1.70144  0.332642  1.62828  0.37078   
1 1 1 67 1  25 o 1.11692  0.327983  1.55708      0.780276 1.44457      1.07501  1.68234      1.13433  1.06094  0.388117  1.12297  0.399864  
1 1 1 67 1  26 o 1.13488  0.342028  1.69707      0.840175 1.72637      1.1943   1.66836      1.18217  1.09858  0.408014  1.08496  0.405342  
1 1 1 67 1  27 o 2.42796  0.196372  6.51003      0.953564 6.62429      1.36779  6.40198      1.33009  2.3169   0.295176  2.28342  0.29125   
1 1 1 67 1  28 o 3.02106  0.185405  10.0535      1.12024  9.94729      1.48954  10.1918      1.69971  2.88416  0.258228  2.84091  0.299148  
1 1 1 67 1  29 o 0.857634 0.357193  1.12938      1.0154   0.785539     1.43302  1.47609      1.439    0.815017 0.375999  0.906726 0.401216  
1 1 1 67 1  30 o 1.18408  0.377841  2.40065      1.00767  1.98557      1.42088  2.82065      1.42927  0.969607 0.413965  1.12519  0.439346  
1 1 1 67 2  0  o 1.26574  0.389271  2.03848      0.859713 2.03848      0.859713 2.03848      0.859713 1.35732  0.248993  ?        ?         
1 1 1 67 2  1  o 5.64239  0.0770089 31.9239      0.869029 32.5967      1.25759  31.3091      1.20226  5.69332  0.110445  5.5805   0.107719  
1 1 1 67 2  2  o 7.3084   0.0804818 53.5759      1.17639  51.9233      1.66696  55.2156      1.66038  7.18307  0.116034  7.40887  0.112054  
1 1 1 67 2  3  o 2.6475   0.113244  7.05303      0.599624 7.66159      0.832482 6.3969       0.864411 2.75277  0.151208  2.51127  0.172106  
1 1 1 67 2  4  o 2.79453  0.103004  7.85066      0.575695 7.85907      0.809202 7.84204      0.819201 2.78894  0.145074  2.78552  0.147046  
1 1 1 67 2  5  o 3.00966  0.100371  9.10381      0.604164 9.56219      0.884247 8.70246      0.827417 3.07646  0.143712  2.93548  0.140934  
1 1 1 67 2  6  o 1.32642  0.19723   1.79402      0.52322  2.17946      0.780307 1.47916      0.70526  1.42505  0.283848  1.16791  0.300303  
1 1 1 67 2  7  o 3.34041  0.0921784 11.2072      0.615827 11.6547      0.931889 10.8604      0.820523 3.39741  0.137147  3.28227  0.124993  
1 1 1 67 2  8  o 0.623707 0.258893  0.123038     0.53064  -0.00909986  0.764979 0.245586     0.736696 0.698829 0.301195  0.748726 0.307274  
1 1 1 67 2  9  o 2.15095  0.137753  4.67656      0.592601 5.00603      0.834198 4.34091      0.841986 2.21508  0.1883    2.05902  0.204463  
1 1 1 67 2  10 o 2.48641  0.120793  6.23482      0.600684 6.27633      0.861806 6.1956       0.837696 2.48353  0.173505  2.46843  0.169682  
1 1 1 67 2  11 o 0.898463 0.290624  0.834052     0.59468  1.16328      0.810955 0.451062     0.874661 1.04891  0.339391  0.848357 0.339818  
1 1 1 67 2  12 o 2.33521  0.135785  5.51607      0.634175 4.76633      0.871981 6.35792      0.923995 2.15549  0.20227   2.49459  0.1852    
1 1 1 67 2  13 o 2.34844  0.135032  5.58174      0.634231 6.18349      0.897668 4.98194      0.89621  2.45962  0.182481  2.20196  0.203503  
1 1 1 67 2  14 o 2.22457  0.143482  5.0218       0.638372 5.10492      0.903736 4.93902      0.901856 2.22683  0.20292   2.1894   0.20596   
1 1 1 67 2  15 o 1.07411  0.286333  1.26793      0.626493 2.41724      0.903647 0.204236     0.869339 1.47603  0.315343  0.780478 0.32808   
1 1 1 67 2  16 o 1.80759  0.184755  3.35275      0.667924 3.41905      0.956222 3.28958      0.933366 1.80108  0.265458  1.76711  0.264094  
1 1 1 67 2  17 o 2.7428   0.133108  7.6341       0.730181 6.74207      1.01604  8.58689      1.05007  2.55486  0.198844  2.89093  0.181613  
1 1 1 67 2  18 o 1.36921  0.274119  2.05732      0.724152 2.1253       1.06729  1.99933      0.98577  1.35055  0.379497  1.31593  0.362978  
1 1 1 67 2  19 o 1.35394  0.275384  2.03191      0.7198   1.83864      1.02391  2.22075      1.0121   1.25114  0.377682  1.37618  0.362605  
1 1 1 67 2  20 o 1.52096  0.250737  2.48093      0.762723 2.58806      1.12081  2.38854      1.04092  1.46437  0.379625  1.41412  0.365493  
1 1 1 67 2  21 o 0.69412  0.299645  0.0815612    0.759439 -0.39833     1.13397  0.471863     1.02265  0.743662 0.339513  0.862068 0.358717  
1 1 1 67 2  22 o 0.960788 0.321419  1.04572      0.726878 0.789088     1.02868  1.30165      1.02725  0.927316 0.3696    1.06015  0.380219  
1 1 1 67 2  23 o 0.72437  0.305925  0.258148     0.761763 1.67875      1.10117  -1.04558     1.05491  1.15027  0.395477  0.623326 0.298467  
1 1 1 67 2  24 o 1.14225  0.339335  1.63648      0.831015 2.75388      1.12215  0.27944      1.23664  1.44926  0.381788  0.842529 0.372485  
1 1 1 67 2  25 o 1.00647  0.333803  1.26181      0.783966 0.917442     1.06886  1.66277      1.15335  0.923977 0.373346  1.10985  0.402399  
1 1 1 67 2  26 o 0.806168 0.332696  0.637922     0.868417 1.78198      1.21528  -0.555823    1.24139  1.09432  0.410555  0.701837 0.331723  
1 1 1 67 2  27 o 1.38004  0.359264  2.66853      1.00114  1.92916      1.36771  3.52194      1.4694   1.08545  0.428201  1.4404   0.455928  
1 1 1 67 2  28 o 0.863059 0.352018  1.05477      0.960921 1.94789      1.34765  0.131049     1.37054  1.03005  0.417976  0.757637 0.355427  
1 1 1 67 2  29 o 1.4359   0.364294  3.2605       1.04826  2.39304      1.50806  4.07147      1.45813  1.02379  0.431317  1.40635  0.455097  
1 1 1 67 2  30 o 0.737244 0.333188  0.637726     1.04695  1.39197      1.50781  -0.0644525   1.45484  0.845952 0.388411  0.697737 0.337715  
1 1 1 67 3  0  o 2.98468  0.161917  9.04434      0.960038 9.04434      0.960038 9.04434      0.960038 2.99616  0.113658  ?        ?         
1 1 1 67 3  1  o 6.21152  0.0776081 38.6994      0.964129 39.717       1.36834  37.696       1.35868  6.28362  0.108881  6.12096  0.110986  
1 1 1 67 3  2  o 2.27981  0.129647  5.24138      0.591142 4.96848      0.831162 5.52073      0.840925 2.20956  0.188083  2.33074  0.180398  
1 1 1 67 3  3  o 4.41183  0.0806587 19.5281      0.711706 19.9795      1.01661  19.0942      0.996691 4.45529  0.114091  4.35539  0.11442   
1 1 1 67 3  4  o 4.05119  0.0824102 16.4686      0.667719 16.6741      0.934744 16.2545      0.954148 4.06982  0.114838  4.01736  0.118753  
1 1 1 67 3  5  o 1.50886  0.176521  2.31307      0.532692 1.84471      0.791852 2.70024      0.719952 1.30203  0.308433  1.62284  0.221818  
1 1 1 67 3  6  o 0.53632  0.23996   -0.207438    0.530245 0.0788534    0.797833 -0.433941    0.70965  0.732891 0.311466  0.588081 0.268525  
1 1 1 67 3  7  o 4.47132  0.0835308 20.07        0.746986 20.2402      1.06697  19.9064      1.04613  4.48128  0.119048  4.44456  0.117687  
1 1 1 67 3  8  o 3.26527  0.0991088 10.722       0.647233 10.1046      0.904768 11.369       0.926262 3.16021  0.14315   3.35345  0.138106  
1 1 1 67 3  9  o 1.73325  0.170212  3.05509      0.59004  2.31104      0.820219 3.85308      0.849433 1.46189  0.290857  1.93581  0.2194    
1 1 1 67 3  10 o 2.16815  0.139679  4.75612      0.605692 5.5351       0.858646 3.9846       0.854525 2.32887  0.184348  1.9683   0.217072  
1 1 1 67 3  11 o 3.559    0.0997229 12.7451      0.709827 14.5692      1.01814  11.0199      0.990138 3.79547  0.134126  3.29624  0.150192  
1 1 1 67 3  12 f 2.01381  0.153611  4.11833      0.618685 4.20574      0.837971 4.01359      0.917309 2.02233  0.207179  1.96842  0.233006  
1 1 1 67 3  13 o 0.424827 0.208034  -1.11848     0.595768 -1.63027     0.824291 -0.558708    0.862065 0.488589 0.240663  0.635064 0.292466  
1 1 1 67 3  14 o 2.37675  0.140698  5.73264      0.66881  5.42863      0.921937 6.07035      0.971703 2.29564  0.200802  2.42778  0.200122  
1 1 1 67 3  15 o 0.883329 0.302433  0.789118     0.643539 0.660784     0.901096 0.922714     0.919382 0.902175 0.349548  0.979898 0.35888   
1 1 1 67 3  16 o 4.05886  0.107686  16.6269      0.874163 18.3161      1.25697  15.0445      1.21653  4.24273  0.148132  3.84046  0.158383  
1 1 1 67 3  17 f 2.3337   0.153814  5.55921      0.717913 5.48619      1.03694  5.62644      0.994931 2.29143  0.226264  2.32585  0.213885  
1 1 1 67 3  18 o 2.17147  0.16492   4.83683      0.716235 3.96349      1.01683  5.69683      1.00904  1.92845  0.263638  2.3358   0.215993  
1 1 1 67 3  19 o 1.46152  0.263463  2.35377      0.741988 3.34986      1.09192  1.49924      1.01136  1.70968  0.331154  1.1379   0.379136  
1 1 1 67 3  20 o 2.79186  0.144681  7.99318      0.807859 8.45281      1.18871  7.59869      1.10126  2.83281  0.209811  2.68912  0.204763  
1 1 1 67 3  21 o 1.55826  0.242974  2.6141       0.757231 3.22418      1.08496  2.03468      1.05735  1.65505  0.33945   1.28579  0.382927  
1 1 1 67 3  22 f 2.11649  0.184338  4.70479      0.780301 4.09787      1.0848   5.35546      1.12322  1.9143   0.283342  2.21154  0.253946  
1 1 1 67 3  23 o 2.12667  0.194199  4.8137       0.825994 4.891        1.159    4.73392      1.17749  2.07712  0.278991  2.03441  0.289393  
1 1 1 67 3  24 o 0.954178 0.335986  1.09429      0.798854 1.12909      1.04284  1.04486      1.24277  0.978226 0.376652  0.977933 0.399842  
1 1 1 67 3  25 o 0.64     0.290742  -0.140886    0.810178 0.436015     1.10571  -0.809664    1.19051  0.820609 0.357963  0.671123 0.320323  
1 1 1 67 3  26 o 0.877086 0.339545  0.956609     0.849893 1.2738       1.18096  0.615841     1.22406  0.96528  0.391446  0.846671 0.372913  
1 1 1 67 3  27 o 1.13198  0.368258  1.88732      0.95416  0.650287     1.29133  3.37487      1.41606  0.845386 0.376455  1.40838  0.447758  
1 1 1 67 3  28 o 0.880449 0.35848   1.19865      0.994761 1.53337      1.55472  0.966642     1.29439  0.921718 0.411682  0.841078 0.375652  
1 1 1 67 3  29 o 0.557823 0.271859  -0.851683    0.980978 -0.00841564  1.42632  -1.60862     1.35134  0.724537 0.34696   0.589853 0.293315  
1 1 1 67 3  30 f 0.935214 0.376462  1.9238       1.08101  1.10622      1.59292  2.62178      1.47182  0.76132  0.365077  0.951279 0.413981  
1 1 1 67 4  0  o 0.386172 0.274821  -0.931341    0.839866 -0.931341    0.839866 -0.931341    0.839866 0.295591 0.213999  ?        ?         
1 1 1 67 4  1  o 3.23055  0.101322  10.4912      0.654651 10.2076      0.93394  10.7652      0.917901 3.17741  0.146966  3.26456  0.140586  
1 1 1 67 4  2  o 0.985161 0.27179   1.03953      0.55263  1.57212      0.788039 0.524168     0.775193 1.20083  0.321598  0.839942 0.324463  
1 1 1 67 4  3  o 2.56768  0.112707  6.63687      0.578791 6.84795      0.804205 6.41005      0.833657 2.60057  0.154621  2.51371  0.165822  
1 1 1 67 4  4  o 3.19328  0.0925673 10.2439      0.591187 9.8707       0.854047 10.5872      0.819172 3.12612  0.136599  3.2399   0.126419  
1 1 1 67 4  5  o 1.56247  0.170191  2.48034      0.531837 2.61063      0.776472 2.3652       0.729945 1.58968  0.244223  1.51373  0.241109  
1 1 1 67 4  6  o 5.84727  0.0840508 34.3281      0.982936 31.9467      1.33217  37.1738      1.45626  5.62965  0.118318  6.07212  0.119914  
1 1 1 67 4  7  o 2.32543  0.127945  5.45883      0.595056 5.82391      0.842288 5.09505      0.840788 2.39187  0.176073  2.2344   0.188146  
1 1 1 67 4  8  o 2.41275  0.125561  5.87544      0.605893 6.21506      0.841735 5.51026      0.872836 2.47196  0.170256  2.32334  0.18784   
1 1 1 67 4  9  o 3.67991  0.092339  13.6117      0.679598 12.6654      0.956341 14.5771      0.965925 3.53922  0.135106  3.79933  0.127118  
1 1 1 67 4  10 o 3.66521  0.0960547 13.5114      0.704121 12.7543      0.969644 14.356       1.02414  3.55041  0.136554  3.76695  0.135938  
1 1 1 67 4  11 o 2.11354  0.148333  4.53164      0.627017 3.99164      0.856439 5.15542      0.920492 1.96739  0.217659  2.23956  0.205508  
1 1 1 67 4  12 o 0.548962 0.248835  -0.285822    0.588242 0.688709     0.803301 -1.41264     0.863787 0.888652 0.333712  0.528085 0.256886  
1 1 1 67 4  13 o 1.92309  0.162644  3.77132      0.62556  4.14351      0.866526 3.36623      0.904014 2.00095  0.216529  1.79281  0.252122  
1 1 1 67 4  14 o 2.17855  0.152257  4.82951      0.663396 4.31579      0.915213 5.39825      0.962975 2.03881  0.224447  2.28521  0.210697  
1 1 1 67 4  15 o 2.22615  0.155555  5.0485       0.692576 5.44398      0.96634  4.63081      0.99311  2.29417  0.210608  2.1071   0.235658  
1 1 1 67 4  16 o 1.91181  0.178563  3.7568       0.682757 4.04419      0.972738 3.47773      0.958546 1.95918  0.248251  1.8105   0.264719  
1 1 1 67 4  17 o 2.5488   0.145127  6.61924      0.739799 6.08121      1.08126  7.09279      1.0144   2.41207  0.224136  2.61939  0.193633  
1 1 1 67 4  18 o 2.37408  0.15991   5.78657      0.75928  4.92138      1.11678  6.53027      1.0354   2.14419  0.260419  2.50038  0.207049  
1 1 1 67 4  19 o 1.81004  0.206462  3.43966      0.747409 3.9568       1.09116  2.98258      1.02585  1.89961  0.287207  1.60571  0.330754  
1 1 1 67 4  20 o 0.74295  0.301592  0.363834     0.701968 0.407331     0.995255 0.320776     0.990228 0.840498 0.352066  0.82087  0.347842  
1 1 1 67 4  21 o 1.12485  0.317813  1.49033      0.746533 1.15543      1.06609  1.81256      1.04572  1.02339  0.384414  1.21006  0.384786  
1 1 1 67 4  22 o 0.864447 0.325861  0.769281     0.767423 1.23817      1.06774  0.268222     1.10376  1.02983  0.38513   0.823564 0.358453  
1 1 1 67 4  23 o 1.57263  0.253811  2.76472      0.798303 2.34748      1.09782  3.23291      1.16293  1.32919  0.388632  1.58511  0.372686  
1 1 1 67 4  24 o 1.00195  0.335083  1.2456       0.789993 0.985952     1.08056  1.54374      1.15788  0.94286  0.37769   1.08136  0.40172   
1 1 1 67 4  25 o 0.856254 0.340746  0.827031     0.873083 0.514201     1.1494   1.25373      1.34239  0.831343 0.363784  0.984054 0.410326  
1 1 1 67 4  26 o 0.57543  0.276002  -0.751109    0.911801 0.306168     1.21912  -2.09337     1.37363  0.792068 0.358669  0.599898 0.297952  
1 1 1 67 4  27 o 1.27928  0.371809  2.47892      1.00776  2.50209      1.48676  2.45924      1.37069  1.14196  0.447644  1.15848  0.435742  
1 1 1 67 4  28 o 0.737631 0.325765  0.564965     0.9425   0.242134     1.39387  0.836898     1.27928  0.745729 0.352078  0.807285 0.366366  
1 1 1 67 4  29 o 0.954609 0.373147  1.6451       1.03158  1.85676      1.50954  1.45965      1.41299  0.930152 0.411341  0.879788 0.392725  
1 1 1 67 5  0  o 1.93417  0.232239  3.95217      0.869062 3.95217      0.869062 3.95217      0.869062 1.96236  0.158977  ?        ?         
1 1 1 67 5  1  o 3.58404  0.0939402 12.9078      0.67337  12.6841      0.973694 13.1128      0.932236 3.54302  0.13741   3.60453  0.129314  
1 1 1 67 5  2  o 2.64216  0.117506  7.03465      0.620939 6.79489      0.878594 7.27392      0.877687 2.58593  0.16988   2.677    0.163931  
1 1 1 67 5  3  o 2.57773  0.118694  6.69767      0.611923 6.80436      0.86731  6.59192      0.863483 2.58794  0.167567  2.54675  0.169526  
1 1 1 67 5  4  o 3.82363  0.0911301 14.6896      0.696896 14.0641      0.935897 15.4679      1.04407  3.73343  0.12534   3.91299  0.133411  
1 1 1 67 5  5  o 5.43311  0.0816555 29.6324      0.887287 28.2879      1.25512  30.9756      1.25451  5.29713  0.118472  5.54505  0.113119  
1 1 1 67 5  6  o 4.56116  0.0858415 20.894       0.783075 20.8841      1.104    20.904       1.1109   4.55031  0.12131   4.55225  0.122017  
1 1 1 67 5  7  o 4.81639  0.0797925 23.2858      0.768623 24.1535      1.12293  22.5209      1.05431  4.89538  0.114693  4.72806  0.111495  
1 1 1 67 5  8  o 2.36453  0.130066  5.64892      0.615087 6.49165      0.872184 4.81509      0.867563 2.52473  0.172728  2.1677   0.200111  
1 1 1 67 5  9  o 2.63345  0.120707  6.99897      0.635752 7.82605      0.88011  6.0965       0.919352 2.77531  0.158561  2.44162  0.188267  
1 1 1 67 5  10 o 3.71078  0.0967219 13.855       0.717827 13.728       1.00225  13.9887      1.02858  3.6826   0.136079  3.71663  0.138376  
1 1 1 67 5  11 o 1.26959  0.263928  1.74665      0.647897 1.06341      0.979254 2.27859      0.864051 1.03508  0.371231  1.43744  0.309411  
1 1 1 67 5  12 o 0.662006 0.278     0.121715     0.623158 0.44434      0.871828 -0.215287    0.891042 0.838884 0.337918  0.703975 0.31312   
1 1 1 67 5  13 o 1.11666  0.276007  1.36824      0.613685 1.79552      0.84288  0.886219     0.89525  1.26538  0.329755  0.964809 0.354062  
1 1 1 67 5  14 o 4.27504  0.101064  18.4195      0.864106 20.8577      1.19345  15.7329      1.25277  4.5369   0.131527  3.9282   0.159458  
1 1 1 67 5  15 o 0.990058 0.30345   1.07178      0.657623 0.970446     0.938582 1.1695       0.921687 0.991956 0.362675  1.04852  0.361686  
1 1 1 67 5  16 o 0.745545 0.298134  0.364616     0.671623 0.127527     0.959534 0.59234      0.940392 0.789672 0.338761  0.888544 0.353624  
1 1 1 67 5  17 o 1.95183  0.185288  3.94016      0.7233   4.58352      1.00816  3.25776      1.03831  2.08121  0.242205  1.7017   0.316899  
1 1 1 67 5  18 o 2.23473  0.164127  5.14608      0.733561 4.70742      1.05332  5.55921      1.0222   2.09579  0.251294  2.294    0.222799  
1 1 1 67 5  19 o 1.46873  0.242445  2.31286      0.712173 1.74507      0.979717 2.94906      1.03706  1.20562  0.370557  1.58804  0.336756  
1 1 1 67 5  20 o 0.989414 0.316584  1.11901      0.707065 0.504        0.999708 1.7346       1.00017  0.859285 0.355932  1.19357  0.375941  
1 1 1 67 5  21 o 1.14546  0.316588  1.56149      0.748988 1.16175      1.01278  2.04403      1.11272  1.01239  0.375784  1.26515  0.396141  
1 1 1 67 5  22 o 1.46232  0.292439  2.50619      0.825054 2.63576      1.13527  2.36114      1.20112  1.41995  0.388591  1.32322  0.411026  
1 1 1 67 5  23 o 0.754448 0.313519  0.40626      0.779581 0.477009     1.10669  0.336575     1.09834  0.845942 0.363387  0.818712 0.356955  
1 1 1 67 5  24 o 1.42867  0.302124  2.50007      0.836682 2.94717      1.15908  2.01364      1.20899  1.4635   0.389162  1.17948  0.413526  
1 1 1 67 5  25 o 0.700703 0.314915  0.0888326    0.922376 1.17441      1.25285  -1.19599     1.36298  0.950556 0.396384  0.666403 0.323704  
1 1 1 67 5  26 o 1.55137  0.353107  3.31693      1.07133  5.34677      1.4823   1.09699      1.55015  1.91295  0.400362  0.933632 0.414351  
1 1 1 67 5  27 o 0.929739 0.366015  1.38651      0.997388 0.85755      1.50655  1.79924      1.33078  0.842519 0.387427  0.986891 0.409839  
1 1 1 67 5  28 o 0.622677 0.292564  -0.152783    0.940203 -1.45804     1.40715  0.899884     1.26369  0.608255 0.302029  0.810867 0.366279  
1 1 1 67 5  29 o 0.688498 0.321327  0.361535     1.08611  2.04077      1.7359   -0.718712    1.39229  0.878925 0.408661  0.627961 0.309261  
1 1 1 67 6  0  o 2.12437  0.201397  4.68417      0.838014 4.68417      0.838014 4.68417      0.838014 2.14491  0.139486  ?        ?         
1 1 1 67 6  1  o 4.74863  0.0836759 22.6408      0.794693 22.9704      1.08687  22.2621      1.16492  4.77486  0.113812  4.69738  0.123996  
1 1 1 67 6  2  o 2.23723  0.131886  5.05572      0.590118 5.59137      0.881966 4.62154      0.794047 2.34057  0.188408  2.12835  0.186541  
1 1 1 67 6  3  o 1.88259  0.156106  3.59457      0.587766 3.21712      0.857387 3.92922      0.807323 1.76342  0.243104  1.95804  0.206156  
1 1 1 67 6  4  o 3.63399  0.091029  13.2703      0.661596 13.3108      0.975125 13.2357      0.900591 3.62914  0.134346  3.62163  0.124335  
1 1 1 67 6  5  f 4.66088  0.0888019 21.8261      0.82779  20.7118      1.12186  23.158       1.22647  4.53027  0.123818  4.78881  0.128056  
1 1 1 67 6  6  o 2.52157  0.12558   6.41934      0.633317 6.10536      0.903544 6.72258      0.887951 2.44548  0.184738  2.56941  0.172793  
1 1 1 67 6  7  o 3.38823  0.104411  11.558       0.707536 11.5298      1.01795  11.5843      0.984117 3.37148  0.150966  3.38113  0.145531  
1 1 1 67 6  8  o 2.08761  0.156197  4.42646      0.652158 3.79375      0.957593 4.97377      0.890624 1.90926  0.250776  2.20121  0.202303  
1 1 1 67 6  9  o 3.53342  0.10466   12.5765      0.739616 11.8277      1.07343  13.2533      1.02052  3.41098  0.15735   3.61648  0.141093  
1 1 1 67 6  10 o 3.13676  0.112182  9.92708      0.703777 7.26882      1.06314  12.0007      0.938971 2.65872  0.199933  3.44161  0.136415  
1 1 1 67 6  11 o 1.598    0.206712  2.63502      0.66065  2.27861      1.05876  2.86228      0.845432 1.413    0.370209  1.65207  0.25587   
1 1 1 67 6  12 o 1.07685  0.300622  1.27794      0.671888 1.91997      1.03739  0.814017     0.881832 1.29802  0.377229  0.941096 0.350385  
1 1 1 67 6  13 o 2.90441  0.125838  8.53816      0.730973 8.31955      1.11218  8.7044       0.969873 2.84285  0.19561   2.91952  0.166101  
1 1 1 67 6  14 o 1.24334  0.277595  1.7021       0.672645 2.06708      1.03471  1.43497      0.885214 1.33905  0.372817  1.13275  0.35306   
1 1 1 67 6  15 o 0.745498 0.29957   0.350581     0.682825 0.859714     1.05059  -0.0217931   0.898477 0.980696 0.377956  0.738448 0.322395  
1 1 1 67 6  16 o 2.88736  0.125611  8.46275      0.725368 9.04176      1.01852  7.86683      1.03329  2.96549  0.171729  2.75897  0.18726   
1 1 1 67 6  17 o 0.774953 0.302609  0.480728     0.678073 1.4699       0.931239 -0.635568    0.989271 1.12776  0.36357   0.664721 0.308849  
1 1 1 67 6  18 o 0.711901 0.297795  0.227762     0.710549 0.814498     0.98811  -0.400536    1.02251  0.936514 0.365379  0.707158 0.322682  
1 1 1 67 6  19 o 1.7375   0.215894  3.19728      0.750231 2.63863      1.00717  3.89364      1.12448  1.49218  0.344247  1.86858  0.300891  
1 1 1 67 6  20 o 3.38058  0.126293  11.6852      0.85389  11.5242      1.12856  11.9009      1.30593  3.32795  0.169558  3.36151  0.194248  
1 1 1 67 6  21 o 0.878162 0.327781  0.814198     0.772689 0.216941     1.01275  1.64616      1.19529  0.789112 0.343406  1.13779  0.409934  
1 1 1 67 6  22 o 0.605679 0.277948  -0.314198    0.771022 -0.0486181   1.0506   -0.624207    1.13508  0.74364  0.335046  0.689147 0.323326  
1 1 1 67 6  23 o 0.926331 0.329696  1.02003      0.771078 1.44847      1.07125  0.559399     1.11076  1.05743  0.387377  0.857785 0.366112  
1 1 1 67 6  24 o 0.533476 0.257275  -0.88507     0.819441 -0.837292    1.10566  -0.943296    1.22057  0.63739  0.305288  0.659477 0.317045  
1 1 1 67 6  25 o 0.571345 0.276481  -0.976535    0.973159 -2.65808     1.363    0.772073     1.38991  0.564486 0.282243  0.88334  0.392151  
1 1 1 67 6  26 o 1.21238  0.374019  2.22885      0.996861 2.46508      1.43976  2.01131      1.38159  1.1565   0.443274  1.07142  0.427927  
1 1 1 67 6  27 f 0.839974 0.353215  1.05118      1.00824  0.0423735    1.42277  2.06882      1.429    0.733323 0.350051  1.00113  0.420722  
1 1 1 67 6  28 o 0.794051 0.3449    0.861683     1.01794  -0.653217    1.61088  1.86874      1.3134   0.693852 0.340436  0.966558 0.404633  
1 1 1 67 6  29 o 0.639029 0.304693  0.108871     1.07012  2.33716      1.70536  -1.33844     1.37439  0.871582 0.405171  0.570801 0.2854    
1 1 1 67 7  0  o 0.646248 0.371176  0.58229      0.751698 0.58229      0.751698 0.58229      0.751698 0.620395 0.326464  ?        ?         
1 1 1 67 7  1  o 1.0084   0.270044  1.09816      0.555656 -0.0313744   0.792371 2.19108      0.779423 0.704028 0.305024  1.4242   0.283695  
1 1 1 67 7  2  o 2.1596   0.132364  4.71298      0.571706 5.10016      0.837917 4.37575      0.782005 2.23479  0.187471  2.06967  0.188921  
1 1 1 67 7  3  o 0.717227 0.277842  0.369259     0.569263 -0.0589321   0.830268 0.749127     0.782016 0.713899 0.310808  0.906304 0.331078  
1 1 1 67 7  4  o 3.95409  0.0888106 15.7105      0.702331 15.0826      0.993327 16.3381      0.993165 3.86395  0.128538  4.02315  0.123431  
1 1 1 67 7  5  o 0.911798 0.28018   0.879056     0.560145 0.653045     0.783419 1.11545      0.801211 0.876052 0.329442  1.0298   0.337454  
1 1 1 67 7  6  o 2.21901  0.139899  4.9855       0.620876 5.6323       0.877421 4.33684      0.878683 2.34701  0.186923  2.05247  0.214054  
1 1 1 67 7  7  o 3.76221  0.100463  14.2481      0.755924 13.0805      1.16534  15.0964      0.993243 3.58559  0.162503  3.8644   0.128512  
1 1 1 67 7  8  o 2.8972   0.113384  8.46755      0.656995 7.09127      1.02499  9.4273       0.855949 2.629    0.19494   3.04992  0.140323  
1 1 1 67 7  9  o 2.93935  0.116059  8.72379      0.682272 8.23376      1.05656  9.07428      0.893551 2.83421  0.186394  2.9884   0.149503  
1 1 1 67 7  10 o 3.20316  0.105922  10.3463      0.678568 10.429       0.985943 10.272       0.935335 3.2012   0.153996  3.17943  0.147091  
1 1 1 67 7  11 o 1.81121  0.173604  3.35533      0.628864 3.33431      0.91773  3.37393      0.863448 1.78177  0.257534  1.79795  0.24012   
1 1 1 67 7  12 o 0.857383 0.297664  0.730126     0.625128 0.69385      0.876389 0.767701     0.891946 0.904604 0.346097  0.929428 0.351025  
1 1 1 67 7  13 o 1.21105  0.269384  1.60866      0.635399 0.647404     0.901534 2.55746      0.895675 0.895545 0.349085  1.51971  0.305432  
1 1 1 67 7  14 o 1.15767  0.285728  1.48923      0.658403 1.61761      0.982042 1.3844       0.887382 1.19133  0.371979  1.11279  0.354521  
1 1 1 67 7  15 o 0.800054 0.30476   0.54368      0.677109 -0.307804    1.01662  1.22256      0.907752 0.729726 0.329136  1.05825  0.359191  
1 1 1 67 7  16 f 0.59731  0.26903   -0.234087    0.676836 -0.25631     1.00569  -0.215687    0.915095 0.728853 0.328126  0.702061 0.314646  
1 1 1 67 7  17 o 0.885596 0.310525  0.823546     0.681741 0.196057     0.948041 1.49551      0.98106  0.786622 0.337065  1.13072  0.373413  
1 1 1 67 7  18 o 1.97678  0.181995  4.06877      0.71953  3.93821      0.993595 4.21274      1.04337  1.90548  0.26072   1.96821  0.265056  
1 1 1 67 7  19 o 1.14699  0.307032  1.53457      0.718482 1.05259      0.986358 2.07937      1.04868  0.989417 0.370133  1.29669  0.380059  
1 1 1 67 7  20 o 1.43245  0.264703  2.3218       0.729827 2.4069       0.9946   2.22252      1.07426  1.3976   0.355008  1.32244  0.383726  
1 1 1 67 7  21 f 1.24369  0.317254  1.8814       0.791795 2.44912      1.06568  1.18176      1.18303  1.37469  0.37662   1.01132  0.398469  
1 1 1 67 7  22 o 1.29918  0.307394  2.05112      0.78725  2.20936      1.08696  1.87652      1.14173  1.28243  0.38954   1.17647  0.402832  
1 1 1 67 7  23 f 0.660983 0.294937  -0.000903367 0.796227 0.393724     1.10244  -0.431218    1.15121  0.813365 0.356093  0.703185 0.329138  
1 1 1 67 7  24 o 0.553366 0.270766  -1.31373     1.0041   0.0246939    1.38168  -2.8117      1.46172  0.791922 0.366814  0.585176 0.292588  
1 1 1 67 7  25 o 0.762447 0.331446  0.45071      0.941534 2.09307      1.45143  -0.742519    1.23715  1.10463  0.439418  0.668007 0.32067   
1 1 1 67 7  26 o 0.860368 0.353646  1.07852      0.977351 0.721858     1.56703  1.30559      1.25034  0.833529 0.387832  0.904592 0.387336  
1 1 1 67 7  27 o 0.784656 0.346879  0.801118     1.07225  0.652761     1.64436  0.910866     1.4143   0.798837 0.379556  0.815738 0.375224  
1 1 1 67 7  28 o 1.02755  0.384538  2.05443      1.06481  1.15449      1.75562  2.57814      1.33927  0.81644  0.389517  1.05764  0.421667  
1 1 1 67 8  0  o 1.66956  0.254072  3.02222      0.789368 3.02222      0.789368 3.02222      0.789368 1.70726  0.167147  ?        ?         
1 1 1 67 8  1  o 3.22539  0.0937829 10.4603      0.604973 10.3773      0.853712 10.5439      0.857424 3.20348  0.133248  3.22923  0.13276   
1 1 1 67 8  2  o 2.52782  0.120897  6.44855      0.61121  5.93456      0.889925 6.90748      0.840918 2.41015  0.18462   2.60677  0.161295  
1 1 1 67 8  3  o 2.47972  0.125114  6.21018      0.620494 5.52518      0.899411 6.83231      0.857135 2.32282  0.193603  2.59124  0.165391  
1 1 1 67 8  4  o 6.17397  0.0793499 38.2729      0.979808 37.1935      1.35721  39.4478      1.41597  6.07405  0.111722  6.25475  0.113191  
1 1 1 67 8  5  o 3.43354  0.0967741 11.862       0.664556 12.2552      0.919132 11.4313      0.96198  3.48072  0.132032  3.35831  0.143224  
1 1 1 67 8  6  o 2.96979  0.118048  8.90295      0.701157 8.55518      1.05371  9.1793       0.939297 2.89256  0.182141  3.00494  0.156292  
1 1 1 67 8  7  o 5.04537  0.0856435 25.5876      0.864206 24.9842      1.31141  26.0508      1.14897  4.96799  0.131987  5.08114  0.113063  
1 1 1 67 8  8  o 2.68663  0.114646  7.2884       0.616025 7.92345      0.8933   6.71256      0.850645 2.78855  0.160173  2.56493  0.165822  
1 1 1 67 8  9  o 1.72564  0.172521  3.04436      0.59542  3.15049      0.842812 2.93862      0.841291 1.73706  0.242597  1.67511  0.251116  
1 1 1 67 8  10 o 2.31409  0.135341  5.42947      0.626382 6.82396      0.922276 4.23547      0.853402 2.58115  0.178656  2.02413  0.210808  
1 1 1 67 8  11 o 2.04198  0.152312  4.24402      0.622034 4.57854      0.892507 3.92806      0.867407 2.10363  0.212135  1.94507  0.222976  
1 1 1 67 8  12 o 3.76231  0.10509   14.2839      0.790764 12.0272      1.13665  16.4006      1.10083  3.42947  0.165718  4.01886  0.136958  
1 1 1 67 8  13 f 2.15327  0.151395  4.7298       0.651988 4.72972      0.940175 4.72987      0.904935 2.12981  0.220718  2.13318  0.212109  
1 1 1 67 8  14 o 0.919357 0.305569  0.896115     0.656956 0.137065     0.975875 1.52522      0.888422 0.795624 0.341484  1.15784  0.352267  
1 1 1 67 8  15 o 0.817206 0.301721  0.627729     0.651164 0.88391      0.925164 0.376233     0.916666 0.953704 0.358132  0.822694 0.340805  
1 1 1 67 8  16 o 3.00218  0.127628  9.18153      0.766326 8.75637      1.13602  9.53655      1.03808  2.89571  0.196156  3.03753  0.170876  
1 1 1 67 8  17 o 0.966501 0.32357   1.04132      0.736639 1.47679      1.05228  0.622845     1.03155  1.12238  0.38653   0.898028 0.365246  
1 1 1 67 8  18 o 1.99419  0.192318  4.16896      0.767037 3.93943      1.10756  4.38052      1.0633   1.88072  0.29445   2.00243  0.265504  
1 1 1 67 8  19 f 0.77687  0.308568  0.496486     0.714728 0.575546     0.966895 0.401246     1.06124  0.859768 0.352297  0.844937 0.359155  
1 1 1 67 8  20 o 0.634409 0.28276   -0.0915246   0.729995 -0.0692005   0.979113 -0.119465    1.09538  0.726075 0.325436  0.75322  0.340586  
1 1 1 67 8  21 o 1.67889  0.243038  3.12751      0.816068 2.60374      1.12438  3.71056      1.1863   1.40046  0.388217  1.71708  0.357266  
1 1 1 67 8  22 o 2.30034  0.183547  5.64635      0.844442 5.3263       1.18087  5.98129      1.20803  2.15187  0.274383  2.29198  0.263535  
1 1 1 67 8  23 o 1.60432  0.299823  3.17659      0.926331 2.479        1.26463  3.98418      1.36069  1.27014  0.423959  1.66069  0.411298  
1 1 1 67 8  24 o 0.641819 0.298947  -0.283802    0.934189 -0.422731    1.36913  -0.162776    1.27787  0.732939 0.347341  0.742343 0.347265  
1 1 1 67 8  25 o 0.709258 0.318388  0.212031     0.940351 0.0170066    1.46063  0.350084     1.2289   0.778037 0.365344  0.783958 0.356655  
1 1 1 67 8  26 f 0.54719  0.267297  -0.951493    0.967829 0.353493     1.53336  -1.81567     1.24779  0.776691 0.367843  0.557254 0.27776   
1 1 1 67 8  27 o 0.850532 0.359937  1.13213      1.058    1.86626      1.59901  0.560443     1.41104  0.942204 0.419258  0.779984 0.364888  
1 1 1 67 8  28 o 0.476168 0.240174  -2.02636     1.08137  -2.95357     1.6758   -1.36481     1.41551  ?        ?         0.576027 0.288013  
1 1 1 67 9  0  o 1.02871  0.403194  1.50592      0.790696 1.50592      0.790696 1.50592      0.790696 1.12038  0.289237  ?        ?         
1 1 1 67 9  1  o 3.63093  0.0890858 13.2529      0.646929 12.62        0.911287 13.896       0.918549 3.533    0.128968  3.7089   0.12383   
1 1 1 67 9  2  o 1.75713  0.16578   3.14408      0.582594 3.79605      0.861531 2.59474      0.790828 1.91627  0.224794  1.57806  0.250569  
1 1 1 67 9  3  o 2.75024  0.114272  7.63055      0.628549 7.00684      0.897501 8.23092      0.880546 2.6212   0.1712    2.84603  0.154697  
1 1 1 67 9  4  o 5.41403  0.0810877 29.4448      0.878022 28.6407      1.19187  30.399       1.29838  5.32875  0.111834  5.48708  0.118312  
1 1 1 67 9  5  o 1.31207  0.244771  1.84582      0.618417 2.25269      0.913185 1.50115      0.840479 1.42248  0.32754   1.16324  0.340023  
1 1 1 67 9  6  o 0.686798 0.27933   0.240392     0.603322 0.507954     0.926697 0.043549     0.79485  0.871911 0.349561  0.71661  0.307901  
1 1 1 67 9  7  o 2.86623  0.110204  8.28992      0.63174  7.71655      0.925834 8.78946      0.864179 2.74894  0.168398  2.94112  0.146913  
1 1 1 67 9  8  o 2.54274  0.120928  6.53685      0.614978 5.54583      0.878801 7.48791      0.860896 2.32382  0.189086  2.71073  0.158794  
1 1 1 67 9  9  o 1.34985  0.220052  1.88934      0.594073 2.05486      0.850069 1.73132      0.830564 1.35734  0.318313  1.24272  0.32896   
1 1 1 67 9  10 o 0.841001 0.29118   0.701958     0.597843 2.23205      0.870001 -0.667       0.822918 1.41614  0.315373  0.598985 0.279608  
1 1 1 67 9  11 o 2.08269  0.150187  4.41922      0.625589 4.84533      0.912172 4.04081      0.859599 2.16152  0.211002  1.97156  0.218     
1 1 1 67 9  12 f 3.61915  0.103546  13.2215      0.749494 13.3373      1.06236  13.1068      1.05755  3.61799  0.146816  3.58632  0.147442  
1 1 1 67 9  13 o 2.82642  0.123299  8.09919      0.696986 7.5254       0.99722  8.64719      0.974546 2.70162  0.18456   2.90357  0.167819  
1 1 1 67 9  14 o 1.36163  0.250112  2.02388      0.655663 1.47336      0.950726 2.5232       0.905426 1.13426  0.367523  1.49288  0.313249  
1 1 1 67 9  15 o 1.27906  0.266327  1.82105      0.658816 2.9412       0.941297 0.745405     0.922404 1.61351  0.302856  0.90897  0.353352  
1 1 1 67 9  16 o 2.70599  0.138802  7.49456      0.751193 7.37058      1.02004  7.64148      1.1104   2.65604  0.192022  2.69574  0.205955  
1 1 1 67 9  17 o 0.712373 0.294865  0.273237     0.685324 1.12608      0.935287 -0.715553    1.00708  1.00878  0.362701  0.653932 0.306398  
1 1 1 67 9  18 o 1.61839  0.228617  2.81194      0.739981 2.9851       1.06811  2.65214      1.02613  1.57602  0.348169  1.48064  0.351342  
1 1 1 67 9  19 o 1.24943  0.3085    1.85653      0.767297 2.48119      1.07916  1.21786      1.09119  1.39749  0.377282  1.02611  0.388045  
1 1 1 67 9  20 o 1.8349   0.209266  3.63437      0.767963 3.18029      1.03033  4.20197      1.15195  1.61284  0.330794  1.89711  0.303607  
1 1 1 67 9  21 o 1.43461  0.301936  2.4758       0.839038 1.21939      1.20259  3.66745      1.17119  1.0088   0.400394  1.70262  0.355529  
1 1 1 67 9  22 o 0.821332 0.33254   0.67528      0.850377 0.369368     1.15472  1.03779      1.25701  0.816208 0.36051   0.94956  0.396574  
1 1 1 67 9  23 o 0.657616 0.306773  -0.308468    0.988509 -1.6855      1.4025   1.05088      1.39347  0.63786  0.314193  0.93426  0.404632  
1 1 1 67 9  24 o 1.1478   0.379219  1.97539      1.01181  3.72908      1.5509   0.675843     1.33506  1.45079  0.469338  0.856534 0.382059  
1 1 1 67 9  25 o 0.666999 0.308253  0.0261151    0.968641 0.734412     1.54236  -0.435195    1.24473  0.833373 0.386605  0.671672 0.32224   
1 1 1 67 9  26 o 0.801079 0.343722  0.913345     0.988181 1.24149      1.5308   0.678911     1.29388  0.856934 0.392576  0.780012 0.358834  
1 1 1 67 9  27 o 0.533274 0.262651  -1.06867     0.993262 -2.12534     1.55689  -0.343392    1.28986  0.587275 0.295509  0.656383 0.317749  
1 1 1 67 10 0  f 2.51752  0.176337  6.49952      0.877858 6.49952      0.877858 6.49952      0.877858 2.53373  0.123159  ?        ?         
1 1 1 67 10 1  o 2.20108  0.139631  4.91241      0.614677 4.2501       0.892301 5.51053      0.847961 2.02677  0.220128  2.31992  0.182756  
1 1 1 67 10 2  f 1.35458  0.208229  1.89246      0.564128 1.90894      0.78738  1.87507      0.808639 1.31433  0.30514   1.29947  0.314153  
1 1 1 67 10 3  o 1.08147  0.258859  1.27339      0.553276 1.56964      0.75275  0.925287     0.81597  1.18916  0.312434  0.962618 0.339505  
1 1 1 67 10 4  o 2.87444  0.112236  8.33996      0.645231 7.60769      0.893317 9.13868      0.932964 2.73122  0.163538  2.99619  0.155692  
1 1 1 67 10 5  o 0.620889 0.265294  0.0353417    0.584374 -0.117834    0.909474 0.14305      0.762641 0.729636 0.321403  0.72611  0.306353  
1 1 1 67 10 6  f 1.69306  0.170733  2.92944      0.578124 3.12432      0.823836 2.74036      0.811485 1.73102  0.237963  1.61749  0.250848  
1 1 1 67 10 7  o 1.83875  0.164007  3.45008      0.603135 4.1372       0.888834 2.86368      0.82111  1.99674  0.222571  1.65392  0.248231  
1 1 1 67 10 8  o 2.81916  0.11315   8.02563      0.637977 7.7248       0.92192  8.30207      0.883761 2.74986  0.16763   2.85521  0.154763  
1 1 1 67 10 9  o 1.15286  0.259413  1.4499       0.583654 1.51869      0.82364  1.38051      0.827195 1.16433  0.3354    1.11485  0.340056  
1 1 1 67 10 10 o 2.75829  0.119335  7.70058      0.658321 6.71508      0.916289 8.75204      0.946457 2.55667  0.179196  2.92602  0.161731  
1 1 1 67 10 11 o 0.57293  0.255776  -0.185652    0.599503 0.060606     0.848105 -0.431586    0.847545 0.735976 0.317171  0.644142 0.293888  
1 1 1 67 10 12 f 0.654547 0.276989  0.104648     0.626523 -0.501344    0.872794 0.748868     0.899902 0.642584 0.295235  0.9173   0.35078   
1 1 1 67 10 13 o 0.840404 0.300102  0.700714     0.639334 0.000258055  0.915047 1.36878      0.893642 0.743406 0.32495   1.0988   0.356347  
1 1 1 67 10 14 o 3.1476   0.124181  10.0792      0.781745 9.81673      1.07505  10.3738      1.13882  3.08057  0.174488  3.1634   0.179999  
1 1 1 67 10 15 o 0.738531 0.298702  0.36277      0.685112 0.233338     0.947309 0.504711     0.992028 0.792405 0.338152  0.863668 0.355864  
1 1 1 67 10 16 o 3.15063  0.129758  10.137       0.81764  9.68073      1.12217  10.6533      1.19379  3.04679  0.184156  3.19423  0.186866  
1 1 1 67 10 17 o 2.02373  0.174098  4.26524      0.704654 3.80577      0.952672 4.82026      1.04707  1.86934  0.254815  2.10812  0.248341  
1 1 1 67 10 18 o 0.7761   0.307645  0.507963     0.709147 0.715345     0.959012 0.257756     1.05339  0.887008 0.355608  0.811581 0.351658  
1 1 1 67 10 19 o 1.26052  0.310818  1.91653      0.779668 0.919287     1.0825   2.99152      1.1239   0.942117 0.377764  1.53149  0.370438  
1 1 1 67 10 20 f 0.676054 0.302498  -0.0545832   0.842757 0.130726     1.13679  -0.280705    1.25575  0.793369 0.353254  0.76473  0.352486  
1 1 1 67 10 21 o 0.591931 0.277765  -0.536303    0.839089 -0.736254    1.12762  -0.288216    1.25604  0.664932 0.315164  0.753457 0.349281  
1 1 1 67 10 22 f 1.10361  0.367729  1.70842      0.951424 2.12495      1.37313  1.32378      1.3195   1.15574  0.43582   0.99016  0.409455  
1 1 1 67 10 23 o 1.22174  0.366437  2.14621      0.965932 3.30865      1.53916  1.39092      1.24067  1.36423  0.467702  0.981623 0.400119  
1 1 1 67 10 24 o 0.953603 0.366516  1.3519       0.986527 1.58353      1.55866  1.19709      1.27424  0.979897 0.426221  0.917389 0.391859  
1 1 1 67 10 25 o 0.888527 0.35641   1.25436      0.964083 3.52099      1.56125  -0.142632    1.22569  1.25394  0.466346  0.686734 0.326955  
1 1 1 67 10 26 o 0.890086 0.365431  1.31327      1.04235  0.847        1.58432  1.66913      1.38411  0.821554 0.384823  0.930814 0.403207  
1 1 1 67 10 27 o 0.809618 0.351867  1.29099      1.06065  1.41443      1.62149  1.19867      1.40225  0.787656 0.375441  0.772618 0.361926  
1 1 1 67 11 0  o 0.991198 0.428493  1.47446      0.868877 1.47446      0.868877 1.47446      0.868877 1.07682  0.327455  ?        ?         
1 1 1 67 11 1  o 1.03473  0.27922   1.17225      0.591249 0.823467     0.840013 1.51469      0.832343 0.935245 0.34299   1.16545  0.337638  
1 1 1 67 11 2  f 0.968704 0.283289  1.01794      0.583272 0.54176      0.772638 1.64888      0.889365 0.834197 0.323579  1.21169  0.348357  
1 1 1 67 11 3  o 2.43815  0.125972  6.01567      0.614278 6.60748      0.830786 5.30191      0.912375 2.54507  0.163214  2.26827  0.201117  
1 1 1 67 11 4  o 3.8293   0.092223  14.758       0.7063   14.0947      1.03045  15.3457      0.970002 3.72739  0.138227  3.89454  0.124534  
1 1 1 67 11 5  o 2.1609   0.130952  4.73043      0.565948 4.22704      0.7764   5.30117      0.826709 2.02786  0.191434  2.27397  0.181776  
1 1 1 67 11 6  o 2.69718  0.111398  7.34395      0.60092  7.77758      0.833373 6.8743       0.867302 2.76485  0.150708  2.59423  0.16716   
1 1 1 67 11 7  o 1.23347  0.253667  1.64903      0.604326 1.58544      0.895663 1.70217      0.818793 1.18845  0.352129  1.23206  0.326842  
1 1 1 67 11 8  o 2.92437  0.110653  8.63807      0.647181 8.01989      0.928694 9.22171      0.902378 2.80049  0.165809  3.00907  0.149943  
1 1 1 67 11 9  o 3.75027  0.0973497 14.181       0.730175 14.6274      1.02555  13.7221      1.03984  3.79452  0.135136  3.67241  0.141575  
1 1 1 67 11 10 o 3.02243  0.112617  9.23719      0.680755 9.58097      0.954171 8.88079      0.971529 3.06269  0.155773  2.94491  0.164951  
1 1 1 67 11 11 o 2.9113   0.116281  8.5826       0.677057 7.78833      0.952501 9.39378      0.962586 2.7526   0.173018  3.02948  0.15887   
1 1 1 67 11 12 o 1.77293  0.190832  3.26132      0.676664 3.5008       0.932193 2.9946       0.983783 1.81052  0.257438  1.63005  0.312929  
1 1 1 67 11 13 o 0.521216 0.245016  -0.614882    0.661051 -1.42176     0.892873 0.363917     0.983404 0.531523 0.259099  0.83428  0.349736  
1 1 1 67 11 14 o 1.36282  0.26487   2.06702      0.696175 2.54142      0.95612  1.5317       1.01566  1.47623  0.331918  1.13981  0.37994   
1 1 1 67 11 15 o 0.577394 0.264562  -0.366389    0.695581 -0.0978433   0.955575 -0.669056    1.01446  0.729823 0.324448  0.663831 0.310099  
1 1 1 67 11 16 o 2.74909  0.137011  7.74803      0.753313 7.90194      1.02959  7.57071      1.1051   2.74671  0.187422  2.6756   0.206516  
1 1 1 67 11 17 o 0.705364 0.296455  0.240816     0.709619 -0.426332    0.965489 1.02463      1.04651  0.671779 0.309427  0.979028 0.377239  
1 1 1 67 11 18 o 1.23882  0.308661  1.83893      0.762843 2.25009      1.06948  1.41309      1.08841  1.31775  0.383037  1.06963  0.390603  
1 1 1 67 11 19 o 1.03209  0.347356  1.32481      0.848923 1.37055      1.11244  1.26104      1.31359  1.04623  0.392743  1.03129  0.415051  
1 1 1 67 11 20 o 0.559729 0.267681  -0.81654     0.841849 -1.77104     1.16459  0.228107     1.21834  0.583567 0.28733   0.822664 0.366018  
1 1 1 67 11 21 o 0.867656 0.344598  0.851167     0.891307 0.227285     1.39164  1.28508      1.16058  0.833484 0.37928   0.98897  0.393082  
1 1 1 67 11 22 o 1.24795  0.363562  2.20993      0.962444 1.736        1.48074  2.55662      1.26645  1.04749  0.433491  1.2618   0.424263  
1 1 1 67 11 23 f 0.783476 0.336457  0.562167     0.94827  1.52431      1.60807  0.049217     1.17415  0.993259 0.432492  0.741947 0.341535  
1 1 1 67 11 24 o 0.683714 0.313325  0.138571     0.976027 1.93514      1.53165  -1.08977     1.26647  0.989394 0.426306  0.617924 0.302761  
1 1 1 67 11 25 o 0.83035  0.354757  1.05547      1.04477  1.32484      1.54584  0.828963     1.41753  0.868031 0.396339  0.806344 0.372746  
1 1 1 67 11 26 o 0.823216 0.353604  1.11163      1.0478   0.922955     1.55941  1.26692      1.41476  0.799152 0.375859  0.838116 0.381664  
1 1 1 67 12 0  o 2.08458  0.225004  4.57493      0.913109 4.57493      0.913109 4.57493      0.913109 2.11276  0.154708  ?        ?         
1 1 1 67 12 1  o 1.76679  0.176912  3.19608      0.625134 3.95388      0.904922 2.5043       0.864602 1.94873  0.232183  1.51074  0.296727  
1 1 1 67 12 2  f 1.87817  0.164284  3.60026      0.617107 3.96046      0.812045 3.10788      0.94941  1.95815  0.207351  1.71332  0.277067  
1 1 1 67 12 3  o 1.26993  0.257336  1.74774      0.630792 0.980888     0.865638 2.61598      0.921092 0.986946 0.349523  1.53873  0.310184  
1 1 1 67 12 4  o 1.07484  0.278032  1.26882      0.602033 0.980556     0.843284 1.56845      0.859763 0.982676 0.345286  1.18294  0.343299  
1 1 1 67 12 5  o 2.88974  0.105353  8.42353      0.608888 8.25432      0.844283 8.60694      0.878958 2.84852  0.148197  2.90773  0.151141  
1 1 1 67 12 6  o 1.83265  0.15712   3.42671      0.575891 4.54317      0.812605 2.30015      0.816274 2.09946  0.193528  1.44478  0.292704  
1 1 1 67 12 7  o 1.85403  0.158916  3.51264      0.58927  3.47876      0.815194 3.54972      0.852784 1.82629  0.223184  1.84194  0.231491  
1 1 1 67 12 8  o 2.88442  0.111581  8.41083      0.643693 8.23717      0.909399 8.5852       0.911243 2.83826  0.160204  2.8988   0.157176  
1 1 1 67 12 9  o 1.72393  0.181355  3.05844      0.625287 2.65983      0.867765 3.48893      0.901797 1.55357  0.290059  1.81889  0.247897  
1 1 1 67 12 10 f 1.87746  0.167093  3.6195       0.62742  4.4056       0.877401 2.79687      0.897553 2.05452  0.21353   1.58809  0.293639  
1 1 1 67 12 11 o 2.18179  0.162122  4.89132      0.707434 5.13674      0.929371 4.55322      1.09084  2.21614  0.209683  2.05975  0.264799  
1 1 1 67 12 12 o 4.62252  0.107615  21.6481      0.994902 21.9413      1.29682  21.2288      1.55109  4.63278  0.139961  4.53255  0.171106  
1 1 1 67 12 13 o 2.7952   0.136595  7.98929      0.763621 7.86846      1.03359  8.1345       1.13311  2.74723  0.188114  2.7836   0.203533  
1 1 1 67 12 14 o 3.44027  0.120462  12.0503      0.828846 11.2334      1.11672  13.0524      1.23678  3.29282  0.169569  3.54585  0.174398  
1 1 1 67 12 15 o 1.33999  0.269049  2.02116      0.695656 2.08068      0.928462 1.94499      1.05039  1.31529  0.34764   1.25456  0.383302  
1 1 1 67 12 16 o 2.81391  0.135525  8.13269      0.76271  8.84422      1.03632  7.29179      1.1266   2.90685  0.178255  2.61259  0.215609  
1 1 1 67 12 17 o 0.768093 0.322366  0.354514     0.837137 0.184984     1.11524  0.573322     1.267    0.809476 0.356244  0.910121 0.389812  
1 1 1 67 12 18 o 0.514161 0.250057  -1.15161     0.817665 -0.585016    1.08784  -1.88741     1.23969  0.679464 0.318376  0.602336 0.296532  
1 1 1 67 12 19 o 0.951761 0.358079  1.0682       0.925748 2.23646      1.30879  -0.101527    1.30962  1.25144  0.431064  0.79871  0.364735  
1 1 1 67 12 20 o 0.556084 0.265762  -0.74883     0.82634  -0.789422    1.28409  -0.720138    1.07958  0.697758 0.33295   0.647155 0.307513  
1 1 1 67 12 21 o 1.09357  0.358685  1.67014      0.905198 3.03811      1.44316  0.782898     1.16225  1.35071  0.452897  0.870976 0.373208  
1 1 1 67 12 22 o 2.1908   0.226148  5.48125      0.990889 6.08312      1.48977  5.00373      1.32698  2.13363  0.349116  1.91529  0.359664  
1 1 1 67 12 23 o 0.820103 0.345843  0.825704     0.971153 2.92234      1.60158  -0.393478    1.2213   1.18899  0.464909  0.681817 0.325192  
1 1 1 67 12 24 f 1.04408  0.375921  1.88809      1.00502  2.11787      1.48632  1.69452      1.36415  0.997275 0.42451   0.94047  0.403701  
1 1 1 67 12 25 o 1.12833  0.384155  2.24583      1.03832  1.36068      1.52564  3.00959      1.41716  0.876094 0.398256  1.17777  0.443054  
1 1 1 67 12 26 o 0.613955 0.295001  -0.102991    1.05319  0.710931     1.61818  -0.701164    1.38723  0.72899  0.353667  0.610825 0.302672  
1 1 1 67 13 0  o 0.50537  0.339531  -0.226133    0.937945 -0.226133    0.937945 -0.226133    0.937945 0.416165 0.281435  ?        ?         
1 1 1 67 13 1  o 4.77648  0.0854875 22.9482      0.816659 23.1597      1.16324  22.7426      1.14679  4.78425  0.12157   4.74126  0.120937  
1 1 1 67 13 2  o 3.25801  0.102635  10.7051      0.66877  10.5823      0.926208 10.8389      0.966656 3.22627  0.143542  3.26342  0.148105  
1 1 1 67 13 3  o 2.68115  0.125028  7.28139      0.670438 7.79222      0.983582 6.83808      0.916277 2.75549  0.178476  2.58166  0.177459  
1 1 1 67 13 4  o 1.75142  0.167839  3.14093      0.587916 3.54792      0.800403 2.66408      0.866391 1.84721  0.216652  1.5576   0.288952  
1 1 1 67 13 5  o 2.97522  0.107895  8.94199      0.642022 9.3024       0.866615 8.50355      0.955841 3.02306  0.143334  2.88177  0.165843  
1 1 1 67 13 6  o 2.65287  0.119647  7.12621      0.634815 7.39735      0.861181 6.80356      0.939444 2.68972  0.160087  2.57097  0.182702  
1 1 1 67 13 7  o 4.27305  0.0907698 18.3919      0.775728 19.0398      1.10115  17.7535      1.09299  4.33258  0.127077  4.18198  0.130678  
1 1 1 67 13 8  o 5.20203  0.0922119 27.2749      0.959379 25.4696      1.35663  29.0809      1.35691  5.00422  0.135548  5.35288  0.126745  
1 1 1 67 13 9  o 0.826691 0.286257  0.695449     0.57781  -0.181521    0.730542 2.16065      0.944283 0.634011 0.282716  1.36564  0.345329  
1 1 1 67 13 10 o 2.24045  0.156147  5.15116      0.699681 5.5169       0.930905 4.67627      1.06076  2.29873  0.202483  2.09143  0.253597  
1 1 1 67 13 11 o 1.38461  0.248044  2.10249      0.662023 2.79228      0.867774 1.14202      1.02398  1.58024  0.284984  1.03188  0.378665  
1 1 1 67 13 12 o 1.98363  0.17596   4.08305      0.698078 4.86623      0.91574  2.99654      1.07859  2.14766  0.213195  1.59476  0.347806  
1 1 1 67 13 13 o 2.16914  0.166413  4.86844      0.721948 4.43035      0.947963 5.47344      1.11399  2.03672  0.232718  2.25474  0.247034  
1 1 1 67 13 14 o 1.93592  0.182001  3.9129       0.704679 2.47949      0.908806 6.07408      1.11591  1.45564  0.320803  2.37869  0.234564  
1 1 1 67 13 15 o 0.798797 0.310251  0.575457     0.710779 -0.347647    0.893433 2.16704      1.17314  0.658658 0.300978  1.29802  0.406818  
1 1 1 67 13 16 o 0.881002 0.335008  0.802019     0.817003 0.833218     1.127    0.767462     1.1861   0.938016 0.381682  0.934472 0.387423  
1 1 1 67 13 17 o 0.62365  0.289486  -0.440008    0.866442 -0.995956    1.20714  0.150768     1.24438  0.671307 0.320921  0.825062 0.368415  
1 1 1 67 13 18 o 0.748225 0.321196  0.282222     0.863622 -0.526015    1.18497  1.19794      1.2613   0.713362 0.333906  1.01027  0.406658  
1 1 1 67 13 19 o 0.624684 0.287321  -0.289114    0.82909  0.874904     1.32267  -1.04249     1.06409  0.936708 0.399645  0.611054 0.294316  
1 1 1 67 13 20 o 1.14926  0.342758  1.778        0.846741 0.487415     1.26107  2.83752      1.14262  0.840533 0.373292  1.40544  0.391928  
1 1 1 67 13 21 o 0.799195 0.339313  0.611303     0.945233 2.0493       1.47181  -0.398164    1.23316  1.10303  0.441235  0.70596  0.332672  
1 1 1 67 13 22 o 0.761661 0.332067  0.464468     0.950433 0.441851     1.41304  0.483154     1.28438  0.827388 0.378261  0.816021 0.368901  
1 1 1 67 13 23 o 0.773838 0.336384  0.695273     0.969729 1.2891       1.45203  0.217187     1.30287  0.889546 0.397569  0.743558 0.348411  
1 1 1 67 13 24 o 0.809463 0.34899   0.936944     1.02765  -0.0486903   1.50066  1.80733      1.4102   0.726862 0.349953  0.945924 0.408332  
1 1 1 67 13 25 o 0.745985 0.334054  0.72309      1.02956  0.145749     1.54899  1.18001      1.37801  0.719482 0.348279  0.816822 0.373477  
1 1 1 67 14 0  o 1.4178   0.382523  2.49594      0.935607 2.49594      0.935607 2.49594      0.935607 1.51218  0.235854  ?        ?         
1 1 1 67 14 1  o 2.32389  0.134887  5.48652      0.626925 4.8265       0.876112 6.17914      0.897486 2.15842  0.202952  2.45013  0.183151  
1 1 1 67 14 2  o 2.28333  0.144898  5.30963      0.661703 5.16453      0.948493 5.44722      0.923584 2.22879  0.212782  2.29356  0.201343  
1 1 1 67 14 3  o 4.34166  0.0895857 18.983       0.7779   18.7963      1.17398  19.1291      1.03864  4.3004   0.136497  4.34649  0.11948   
1 1 1 67 14 4  o 1.11404  0.260205  1.36287      0.56984  1.25538      0.788314 1.4805       0.824666 1.06357  0.333513  1.14532  0.337459  
1 1 1 67 14 5  o 3.38997  0.108485  11.6122      0.73552  11.2982      1.07205  11.8914      1.01099  3.32294  0.161311  3.41517  0.148015  
1 1 1 67 14 6  o 1.12468  0.26711   1.3982       0.592688 2.24978      0.803761 0.383305     0.877454 1.42256  0.292536  0.816919 0.335318  
1 1 1 67 14 7  o 3.17254  0.111846  10.1897      0.70967  10.4859      0.979141 9.86178      1.03004  3.20155  0.152917  3.09848  0.166218  
1 1 1 67 14 8  o 2.63319  0.133929  7.06415      0.705323 7.07242      0.887023 7.04993      1.16313  2.62046  0.169249  2.58774  0.224738  
1 1 1 67 14 9  o 2.37406  0.140214  5.75951      0.665751 6.98876      0.823099 3.4338       1.13216  2.60758  0.157828  1.72388  0.340494  
1 1 1 67 14 10 o 0.821906 0.294638  0.676571     0.616794 0.521895     0.735789 1.04217      1.13122  0.800737 0.314645  1.01835  0.392249  
1 1 1 67 14 11 f 2.9262   0.117986  8.70873      0.6905   9.01525      0.845129 8.09326      1.19756  2.96601  0.142469  2.76685  0.216413  
1 1 1 67 14 12 o 0.54005  0.253478  -0.603111    0.700248 0.364216     0.89109  -2.16497     1.13228  0.801422 0.334251  0.560157 0.276564  
1 1 1 67 14 13 o 3.77087  0.111346  14.455       0.83974  15.8605      1.06884  12.1885      1.35735  3.93409  0.135843  3.4015   0.199523  
1 1 1 67 14 14 o 2.53285  0.174447  6.70058      0.883694 7.02083      1.24401  6.37437      1.25554  2.54114  0.244773  2.40842  0.260656  
1 1 1 67 14 15 o 0.716982 0.313329  0.091927     0.850364 1.13919      1.23314  -0.857637    1.17421  1.01954  0.405198  0.683636 0.322886  
1 1 1 67 14 16 o 0.8915   0.346813  0.834546     0.888914 2.52563      1.30341  -0.635938    1.21543  1.34467  0.42979   0.713569 0.334746  
1 1 1 67 14 17 o 1.00641  0.339526  1.25014      0.811082 1.72876      1.2617   0.913039     1.05886  1.1325   0.419617  0.928994 0.373154  
1 1 1 67 14 18 o 0.755393 0.319341  0.376605     0.831383 0.911152     1.29253  -0.000627387 1.08581  0.945749 0.398914  0.751791 0.339562  
1 1 1 67 14 19 o 0.739502 0.321006  0.309195     0.880755 0.133098     1.35272  0.438785     1.16043  0.811906 0.37073   0.821742 0.362377  
1 1 1 67 14 20 o 1.54235  0.302426  3.00826      0.899634 5.1952       1.41279  1.51667      1.16677  1.93042  0.379451  1.01457  0.396791  
1 1 1 67 14 21 o 0.79489  0.338774  0.613763     0.948633 2.5023       1.36804  -1.13539     1.31658  1.20549  0.438138  0.651052 0.316843  
1 1 1 67 14 22 o 0.901136 0.361189  1.25082      0.989025 -0.641951    1.44483  2.91973      1.35671  0.690444 0.334723  1.23207  0.437448  
1 1 1 67 14 23 o 0.600078 0.286926  -0.394635    0.966151 -1.06765     1.4462   0.14785      1.2984   0.641256 0.315817  0.721106 0.340263  
1 1 1 67 14 24 o 0.820289 0.350383  1.02156      1.01878  3.08883      1.51772  -0.673892    1.37447  1.14371  0.451107  0.652489 0.31869   
1 1 1 67 14 25 o 0.471169 0.237806  -2.04929     1.06541  -1.41242     1.67008  -2.48634     1.38349  0.607083 0.30548   0.51671  0.262202  
1 1 1 67 15 0  o 1.07875  0.417955  1.67375      0.853438 1.67375      0.853438 1.67375      0.853438 1.18153  0.295547  ?        ?         
1 1 1 67 15 1  o 0.607763 0.26512   -0.046396    0.606547 0.780501     0.84486  -0.925911    0.871326 0.914951 0.342502  0.582137 0.27645   
1 1 1 67 15 2  f 3.52799  0.101667  12.5654      0.717357 12.729       1.06334  12.4288      0.971822 3.53101  0.150571  3.49439  0.139054  
1 1 1 67 15 3  o 1.46121  0.202392  2.21768      0.591478 2.37542      0.825783 2.0515       0.847595 1.46236  0.292682  1.34491  0.319433  
1 1 1 67 15 4  o 2.33482  0.135061  5.54827      0.630688 5.52341      0.916706 5.57061      0.869057 2.30641  0.19873   2.32107  0.18721   
1 1 1 67 15 5  o 0.872507 0.289291  0.808018     0.588827 0.684142     0.819727 0.940075     0.846364 0.875996 0.334846  0.95793  0.344968  
1 1 1 67 15 6  o 0.645193 0.271811  0.127945     0.598895 -0.0777413   0.788876 0.407764     0.920121 0.678515 0.299056  0.830003 0.342482  
1 1 1 67 15 7  o 1.71721  0.183851  3.05881      0.631424 3.77401      0.820476 2.01996      0.988846 1.89414  0.216583  1.30448  0.364874  
1 1 1 67 15 8  o 0.971675 0.29073   1.05937      0.60853  1.45409      0.772444 0.413647     0.987979 1.12145  0.325382  0.845197 0.352195  
1 1 1 67 15 9  o 1.45811  0.216066  2.24564      0.630095 2.3602       0.768459 2.01059      1.10072  1.45367  0.274342  1.283    0.392455  
1 1 1 67 15 10 o 0.78973  0.288072  0.608351     0.591865 0.517689     0.691011 0.858043     1.14677  0.784629 0.305668  0.973952 0.389529  
1 1 1 67 15 11 o 1.23273  0.327551  1.78927      0.821515 1.05941      1.16273  2.51679      1.16086  1.01846  0.396556  1.42277  0.394486  
1 1 1 67 15 12 o 1.33362  0.320324  2.09211      0.844942 1.65271      1.18873  2.54079      1.20123  1.16255  0.409803  1.41539  0.404186  
1 1 1 67 15 13 o 2.12558  0.193215  4.76683      0.821391 3.88514      1.18642  5.57848      1.13832  1.80568  0.340973  2.25895  0.251957  
1 1 1 67 15 14 o 1.09647  0.330926  1.45582      0.786142 1.3881       1.16482  1.51247      1.06537  1.07223  0.402006  1.10208  0.388012  
1 1 1 67 15 15 o 0.666384 0.298242  -0.082604    0.819637 -0.373664    1.283    0.118093     1.06538  0.764852 0.353967  0.777811 0.344564  
1 1 1 67 15 16 o 0.860628 0.329387  0.789816     0.794033 0.0397163    1.1422   1.49136      1.10461  0.780484 0.350618  1.0759   0.393439  
1 1 1 67 15 17 f 0.713026 0.30825   0.208202     0.805889 -0.403327    1.20253  0.706764     1.08579  0.729722 0.339614  0.881106 0.368319  
1 1 1 67 15 18 o 1.78491  0.244387  3.62718      0.872419 3.33038      1.33212  3.85008      1.15444  1.49861  0.424901  1.72369  0.347063  
1 1 1 67 15 19 o 2.24171  0.207635  5.59453      0.930916 4.81208      1.38195  6.24455      1.25957  1.85327  0.385604  2.28222  0.275954  
1 1 1 67 15 20 o 0.850981 0.34553   0.866724     0.921629 1.2          1.29461  0.524262     1.31233  0.942315 0.398436  0.834383 0.375276  
1 1 1 67 15 21 o 0.635161 0.297847  -0.260594    0.958806 -0.741093    1.35249  0.224862     1.35945  0.676574 0.32715   0.775539 0.360997  
1 1 1 67 15 22 o 0.611955 0.289369  -0.287372    0.94557  -1.75533     1.3999   0.94433      1.28231  0.594311 0.295947  0.828063 0.371757  
1 1 1 67 15 23 o 0.604133 0.287744  -0.339238    0.95017  -0.640067    1.44895  -0.112274    1.25856  0.67457  0.329051  0.691183 0.329767  
1 1 1 67 15 24 o 1.00135  0.379873  2.04361      1.04844  1.32519      1.54511  2.65666      1.42732  0.806867 0.378317  1.00622  0.421555  
1 1 1 67 16 0  o 1.69663  0.27991   3.20212      0.87182  3.20212      0.87182  3.20212      0.87182  1.74825  0.180735  ?        ?         
1 1 1 67 16 1  o 1.68935  0.193529  2.96477      0.653878 3.95975      0.886383 1.77686      0.968512 1.9383   0.22865   1.23208  0.366398  
1 1 1 67 16 2  o 0.521198 0.242801  -0.482712    0.61654  -0.294443    0.905955 -0.645125    0.841451 0.68546  0.309854  0.603508 0.282114  
1 1 1 67 16 3  o 1.77193  0.165503  3.23143      0.586522 2.53087      0.810897 4.00006      0.849374 1.51066  0.27887   1.95142  0.217629  
1 1 1 67 16 4  o 2.33313  0.135401  5.55254      0.631819 4.97926      0.846712 6.27281      0.949077 2.18704  0.193575  2.45487  0.193305  
1 1 1 67 16 5  o 2.06852  0.151818  4.38998      0.628077 3.86777      0.820401 5.12945      0.976264 1.91756  0.213918  2.20439  0.221436  
1 1 1 67 16 6  o 1.16029  0.271029  1.51149      0.618195 1.44349      0.801503 1.61134      0.971274 1.116    0.333606  1.16776  0.370786  
1 1 1 67 16 7  o 2.61696  0.129753  6.98669      0.679116 8.46712      0.87986  4.80499      1.06811  2.86983  0.153295  2.11288  0.252762  
1 1 1 67 16 8  o 0.504412 0.236345  -0.509407    0.599327 -0.127938    0.756476 -1.1525      0.98221  0.649562 0.288725  0.594453 0.285449  
1 1 1 67 16 9  o 1.50845  0.207638  2.39845      0.626426 3.04862      0.808013 1.41895      0.991754 1.68625  0.239588  1.10116  0.375442  
1 1 1 67 16 10 o 0.623318 0.279571  -0.179149    0.723677 0.0388317    1.05716  -0.371374    0.992743 0.784694 0.345979  0.696494 0.317852  
1 1 1 67 16 11 o 0.582629 0.269828  -0.457841    0.747267 -0.622168    1.08227  -0.308124    1.03304  0.689665 0.32144   0.717042 0.326423  
1 1 1 67 16 12 o 2.96868  0.148361  9.10401      0.880871 7.48977      1.2273   10.8191      1.26504  2.63203  0.233147  3.19715  0.197839  
1 1 1 67 16 13 o 0.615716 0.280144  -0.259352    0.75862  0.0575451    1.11664  -0.530997    1.03384  0.789051 0.350755  0.676506 0.314865  
1 1 1 67 16 14 o 0.74972  0.314947  0.346641     0.800277 -0.302694    1.22051  0.836356     1.05993  0.756684 0.348274  0.916915 0.371251  
1 1 1 67 16 15 f 1.75165  0.239612  3.39901      0.839433 2.55228      1.22477  4.14911      1.15277  1.35926  0.413621  1.87869  0.306802  
1 1 1 67 16 16 o 1.83187  0.229057  3.70031      0.839206 5.34591      1.22858  2.26091      1.14904  2.14597  0.286254  1.27904  0.402965  
1 1 1 67 16 17 o 0.670958 0.300403  0.00526507   0.832262 -0.97993     1.26795  0.751031     1.10317  0.672883 0.323405  0.874973 0.368773  
1 1 1 67 16 18 o 2.65342  0.182152  7.64185      0.966653 6.94743      1.40369  8.26821      1.33314  2.38453  0.294334  2.67028  0.249626  
1 1 1 67 16 19 o 1.0042   0.362668  1.43347      0.936035 0.978008     1.37608  1.8257       1.27698  0.911647 0.39849   1.07195  0.415952  
1 1 1 67 16 20 o 2.12172  0.238173  5.27611      1.01067  4.0069       1.43999  6.50836      1.41886  1.54629  0.442845  2.2345   0.31749   
1 1 1 67 16 21 o 0.596652 0.284961  -0.443793    0.946042 0.00260529   1.35202  -0.87203     1.32423  0.727047 0.344839  0.642986 0.313811  
1 1 1 67 16 22 o 0.818903 0.34367   0.991453     0.951341 0.890928     1.42718  1.07184      1.27624  0.81542  0.375823  0.835638 0.373121  
1 1 1 67 16 23 o 0.796831 0.34769   0.949719     1.04377  0.814872     1.6871   1.03334      1.32856  0.797871 0.380939  0.812584 0.369988  
1 1 1 67 17 0  o 2.7001   0.174457  7.50597      0.933085 7.50597      0.933085 7.50597      0.933085 2.72012  0.121836  ?        ?         
1 1 1 67 17 1  o 3.90935  0.0999078 15.458       0.781149 15.1279      1.10913  15.7828      1.10034  3.84372  0.144279  3.92869  0.140039  
1 1 1 67 17 2  o 2.19913  0.143981  4.95205      0.633265 5.79452      0.864297 3.97556      0.930508 2.36184  0.182971  1.93001  0.241063  
1 1 1 67 17 3  f 1.50932  0.201025  2.38581      0.606822 1.55623      0.796977 3.53019      0.936054 1.15646  0.328899  1.80936  0.258671  
1 1 1 67 17 4  o 1.68694  0.180127  2.95582      0.607727 2.94206      0.788677 2.97593      0.953506 1.66048  0.237484  1.61831  0.305751  
1 1 1 67 17 5  o 0.812142 0.291546  0.66105      0.604105 -0.0318133   0.774728 1.73585      0.964913 0.677193 0.297478  1.20452  0.367248  
1 1 1 67 17 6  o 1.24886  0.25557   1.73456      0.616323 1.95233      0.787091 1.38938      0.990919 1.30115  0.307044  1.09414  0.375256  
1 1 1 67 17 7  o 0.552385 0.249441  -0.215343    0.585613 -0.0945743   0.726376 -0.439607    0.989837 0.643084 0.284743  0.687286 0.315201  
1 1 1 67 17 8  o 0.578176 0.267944  -0.473702    0.738436 -0.966396    1.1235   -0.0989813   0.9798   0.665761 0.315099  0.736315 0.3279    
1 1 1 67 17 9  o 1.51658  0.244917  2.48549      0.742869 1.57516      1.08848  3.2792       1.01637  1.14124  0.393112  1.68457  0.313376  
1 1 1 67 17 10 o 1.95535  0.205504  4.05479      0.803663 2.45657      1.15067  5.5769       1.12294  1.39092  0.395077  2.26401  0.247998  
1 1 1 67 17 11 o 3.63666  0.139793  13.6215      1.01676  13.1769      1.48969  14.0092      1.3912   3.511    0.212145  3.64254  0.190965  
1 1 1 67 17 12 o 1.99935  0.199907  4.25975      0.799366 4.27526      1.18956  4.24697      1.0794   1.92072  0.309664  1.9402   0.278167  
1 1 1 67 17 13 o 2.88903  0.1558    8.71301      0.900219 8.85646      1.31107  8.58506      1.23825  2.84202  0.230658  2.80889  0.220416  
1 1 1 67 17 14 o 0.696429 0.304294  0.118907     0.801747 -0.240764    1.23849  0.37837      1.05191  0.765705 0.351755  0.81636  0.352537  
1 1 1 67 17 15 f 1.13434  0.332552  1.62233      0.802804 3.22236      1.18173  0.251037     1.09401  1.56164  0.381177  0.798795 0.352108  
1 1 1 67 17 16 o 1.05868  0.340617  1.46666      0.817669 0.498144     1.15208  2.4497       1.16069  0.836842 0.365214  1.30307  0.403905  
1 1 1 67 17 17 o 0.768392 0.323621  0.506524     0.848568 0.341613     1.26097  0.64302      1.1472   0.814942 0.367121  0.845747 0.36673   
1 1 1 67 17 18 o 1.09815  0.35245   1.69971      0.87586  1.65545      1.27539  1.73921      1.20491  1.03679  0.412073  1.06054  0.405798  
1 1 1 67 17 19 o 0.805843 0.339182  0.688861     0.931167 0.441475     1.32417  0.930861     1.30968  0.817359 0.371416  0.888487 0.388559  
1 1 1 67 17 20 o 0.734249 0.322371  0.504351     0.908814 0.125789     1.2972   0.869285     1.27364  0.737164 0.345816  0.831379 0.371939  
1 1 1 67 17 21 o 0.908    0.365006  1.40454      1.01425  1.88205      1.56124  1.05585      1.33412  0.940806 0.416897  0.833521 0.376439  
1 1 1 67 17 22 o 0.83611  0.351162  1.09098      0.994547 1.25521      1.48317  0.956796     1.34062  0.856325 0.390177  0.816454 0.371726  
1 1 1 67 17 23 o 0.759309 0.337649  0.996839     1.03555  1.40054      1.57811  0.691555     1.37233  0.788063 0.373202  0.720242 0.343802  
1 1 1 67 18 0  f 0.952261 0.424917  1.42255      0.853284 1.42255      0.853284 1.42255      0.853284 1.04176  0.330208  ?        ?         
1 1 1 67 18 1  o 2.80911  0.130848  8.05706      0.735136 7.7476       1.03858  8.36778      1.0407   2.72349  0.190671  2.83482  0.183557  
1 1 1 67 18 2  o 2.08847  0.153869  4.48897      0.642702 5.01666      0.862883 3.83145      0.963204 2.18808  0.197178  1.88313  0.255746  
1 1 1 67 18 3  o 0.949927 0.288066  1.01572      0.594749 1.83486      0.777429 -0.140175    0.923513 1.25855  0.310394  0.711681 0.317596  
1 1 1 67 18 4  o 2.44055  0.131272  6.08458      0.640752 5.81368      0.829602 6.48512      1.00877  2.36607  0.175312  2.48328  0.203112  
1 1 1 67 18 5  o 3.01267  0.122899  9.25003      0.740509 10.5158      1.04683  7.98225      1.04764  3.18861  0.164152  2.76281  0.189598  
1 1 1 67 18 6  o 2.49293  0.131008  6.35348      0.653185 6.78195      0.839258 5.69521      1.04026  2.55967  0.163939  2.31122  0.225045  
1 1 1 67 18 7  o 2.25514  0.143583  5.22643      0.6476   5.71498      0.820372 4.41857      1.05492  2.34266  0.175094  2.01081  0.262314  
1 1 1 67 18 8  o 2.95668  0.149352  9.01694      0.883173 9.37803      1.23427  8.63808      1.26426  2.97334  0.207556  2.84155  0.22246   
1 1 1 67 18 9  o 1.93573  0.201246  3.97418      0.779116 3.29395      1.11624  4.62039      1.08797  1.65064  0.348896  2.04444  0.26608   
1 1 1 67 18 10 o 1.30367  0.300895  2.00137      0.769189 1.77094      1.0969   2.2243       1.07891  1.17706  0.394844  1.31689  0.385346  
1 1 1 67 18 11 o 1.23258  0.308782  1.82457      0.760311 2.37576      1.10536  1.32961      1.04746  1.34767  0.388658  1.0442   0.383001  
1 1 1 67 18 12 o 0.790659 0.31793   0.54687      0.769821 -1.10476     1.10285  2.11632      1.07506  0.626334 0.301174  1.26169  0.388246  
1 1 1 67 18 13 o 3.0862   0.149936  9.9301       0.925467 8.27181      1.29155  11.6801      1.32678  2.73628  0.236005  3.29425  0.201378  
1 1 1 67 18 14 o 0.749528 0.312467  0.400354     0.778184 -0.396319    1.1209   1.14161      1.08121  0.708071 0.328899  0.977551 0.382037  
1 1 1 67 18 15 o 1.61506  0.263406  3.01815      0.850829 3.19453      1.16314  2.81514      1.24783  1.52838  0.381336  1.38571  0.416664  
1 1 1 67 18 16 o 0.926023 0.341949  1.10694      0.836435 1.78551      1.19017  0.444695     1.17576  1.09173  0.406941  0.817385 0.36205   
1 1 1 67 18 17 o 0.812942 0.329286  0.736379     0.834325 0.575862     1.20932  0.882182     1.15256  0.832481 0.368156  0.878906 0.373963  
1 1 1 67 18 18 o 0.857863 0.343604  0.918979     0.894178 0.714606     1.34361  1.08145      1.198    0.860039 0.383461  0.910146 0.38398   
1 1 1 67 18 19 o 0.69337  0.314358  0.232222     0.93931  0.519403     1.36742  -0.0243599   1.29251  0.796298 0.367336  0.723577 0.34086   
1 1 1 67 18 20 o 0.605222 0.285979  -0.275458    0.922054 0.652101     1.33046  -1.13269     1.27903  0.786615 0.362667  0.607105 0.299029  
1 1 1 67 18 21 o 0.563988 0.274395  -0.808493    0.986228 0.233035     1.51585  -1.57296     1.29867  0.757605 0.361565  0.581236 0.288824  
1 1 1 67 18 22 o 1.0834   0.37749   2.28201      1.00614  3.91131      1.51694  1.00223      1.34442  1.21462  0.458058  0.773285 0.359581  
1 1 1 67 19 0  o 1.18279  0.41692   1.96618      0.893564 1.96618      0.893564 1.96618      0.893564 1.29993  0.276651  ?        ?         
1 1 1 67 19 1  o 1.39459  0.249304  2.15016      0.67026  2.24257      0.986502 2.07093      0.913485 1.36331  0.357429  1.3174   0.343278  
1 1 1 67 19 2  o 3.3407   0.110748  11.3384      0.739954 12.6414      1.00297  9.78216      1.09612  3.50896  0.142916  3.06426  0.178856  
1 1 1 67 19 3  o 2.01976  0.154877  4.20831      0.62563  4.99254      0.829074 3.17111      0.953456 2.18295  0.189897  1.69427  0.281377  
1 1 1 67 19 4  o 1.17604  0.261402  1.55859      0.598707 1.21851      0.772169 2.07121      0.948038 1.0252   0.331121  1.30836  0.353799  
1 1 1 67 19 5  o 2.18441  0.141976  4.90407      0.620268 5.10004      0.801163 4.61085      0.979995 2.20873  0.181363  2.06867  0.236866  
1 1 1 67 19 6  o 1.37035  0.272007  2.12867      0.718995 3.43356      1.05088  0.980252     0.985859 1.71565  0.318197  0.964509 0.36764   
1 1 1 67 19 7  o 0.668881 0.29126   0.0539934    0.72935  -0.441867    1.07138  0.482266     0.995689 0.706356 0.325581  0.844184 0.352784  
1 1 1 67 19 8  o 2.70427  0.158216  7.59879      0.855716 6.8394       1.22043  8.33316      1.20016  2.50134  0.243955  2.78741  0.215281  
1 1 1 67 19 9  o 1.76807  0.220726  3.37659      0.780518 4.16595      1.10531  2.59147      1.10234  1.9129   0.288909  1.42044  0.380339  
1 1 1 67 19 10 o 2.29349  0.17743   5.5532       0.813871 3.89109      1.16138  7.15714      1.14087  1.785    0.337608  2.56494  0.222397  
1 1 1 67 19 11 o 0.731337 0.30805   0.317415     0.769014 0.0790389    1.10655  0.540098     1.0695   0.778824 0.347601  0.85263  0.361409  
1 1 1 67 19 12 o 2.68424  0.163682  7.57407      0.878721 6.17709      1.27941  8.82146      1.20897  2.32335  0.275338  2.85057  0.212058  
1 1 1 67 19 13 o 1.63286  0.258585  3.02658      0.844467 2.32333      1.14725  3.85817      1.24755  1.29183  0.401791  1.71831  0.373461  
1 1 1 67 19 14 o 2.66166  0.168179  7.54306      0.895269 7.24026      1.24371  7.8687       1.28974  2.52106  0.246665  2.63012  0.245187  
1 1 1 67 19 15 o 0.937525 0.340328  1.14524      0.825192 0.978114     1.14793  1.32395      1.18705  0.909605 0.379373  0.983587 0.395091  
1 1 1 67 19 16 o 0.878457 0.339952  0.978476     0.851767 1.74531      1.27355  0.357853     1.14572  1.05719  0.414328  0.787881 0.352616  
1 1 1 67 19 17 o 0.8897   0.346461  1.0408       0.887573 1.81136      1.2809   0.329086     1.23102  1.05901  0.415424  0.790783 0.359012  
1 1 1 67 19 18 o 1.09867  0.370462  1.92673      0.965616 2.79726      1.40167  1.14041      1.33215  1.20077  0.442797  0.887212 0.389908  
1 1 1 67 19 19 o 1.00339  0.365934  1.68849      0.955001 0.440208     1.37827  2.84125      1.32449  0.769136 0.36003   1.18983  0.431239  
1 1 1 67 19 20 f 1.84869  0.276634  4.4558       1.02282  2.45622      1.49636  6.20937      1.40129  1.04748  0.434768  2.06541  0.339229  
1 1 1 67 19 21 o 0.892631 0.366205  1.48115      1.04601  0.631557     1.64756  2.05484      1.35387  0.768252 0.369098  0.952152 0.405223  
1 1 1 67 20 0  o 2.45003  0.215336  6.33043      1.03641  6.33043      1.03641  6.33043      1.03641  2.48383  0.148747  ?        ?         
1 1 1 67 20 1  o 1.49876  0.215207  2.39386      0.645089 3.01866      0.901304 1.73763      0.923696 1.65248  0.272713  1.19342  0.358415  
1 1 1 67 20 2  f 0.813296 0.298409  0.667002     0.635907 1.54953      0.852485 -0.440092    0.954803 1.13396  0.345082  0.668009 0.307698  
1 1 1 67 20 3  o 2.38911  0.134067  5.85754      0.640604 5.62504      0.853183 6.158        0.9699   2.31525  0.184253  2.41164  0.201087  
1 1 1 67 20 4  o 1.6308   0.196508  2.81306      0.640931 3.5037       0.875213 2.01435      0.941206 1.79412  0.243911  1.27941  0.355363  
1 1 1 67 20 5  o 1.73493  0.206136  3.20607      0.715264 4.13225      1.08809  2.50131      0.949155 1.91803  0.283649  1.43964  0.33554   
1 1 1 67 20 6  o 0.776461 0.310452  0.497691     0.728124 1.555        1.09899  -0.329538    0.972091 1.11531  0.393943  0.685432 0.313518  
1 1 1 67 20 7  o 0.937979 0.326773  1.01402      0.753923 0.892706     1.09559  1.12314      1.03907  0.943336 0.379298  0.992043 0.377636  
1 1 1 67 20 8  o 1.15341  0.331701  1.64321      0.806232 1.75603      1.16298  1.53883      1.11868  1.15381  0.405481  1.09759  0.396467  
1 1 1 67 20 9  o 1.08624  0.324557  1.45452      0.758732 1.07039      1.10145  1.80138      1.04666  0.973204 0.384157  1.16947  0.385696  
1 1 1 67 20 10 o 2.49673  0.162533  6.54366      0.811604 5.98055      1.16477  7.07508      1.13151  2.31228  0.251867  2.54497  0.222304  
1 1 1 67 20 11 o 1.3581   0.307431  2.24073      0.815715 2.34355      1.18385  2.14779      1.12554  1.29931  0.40896   1.25264  0.399291  
1 1 1 67 20 12 o 2.9067   0.158809  8.8955       0.923219 7.72491      1.29891  10.0906      1.31245  2.61524  0.248335  3.03094  0.216509  
1 1 1 67 20 13 o 2.12995  0.208502  4.99745      0.888196 4.21381      1.21788  5.88779      1.29815  1.79923  0.350967  2.21468  0.293079  
1 1 1 67 20 14 o 1.90803  0.225253  4.11432      0.859579 3.09264      1.16821  5.32052      1.26933  1.46522  0.391181  2.07182  0.306332  
1 1 1 67 20 15 o 1.36162  0.320119  2.43256      0.858051 2.31026      1.29024  2.52955      1.14895  1.18821  0.426123  1.28507  0.402569  
1 1 1 67 20 16 o 0.541015 0.261433  -0.864076    0.858353 -1.99531     1.22358  0.232026     1.20443  0.562988 0.279838  0.773118 0.352088  
1 1 1 67 20 17 o 1.61043  0.314178  3.49159      0.975822 2.84823      1.39576  4.10672      1.3648   1.22141  0.44269   1.56956  0.424531  
1 1 1 67 20 18 o 0.726955 0.320974  0.499998     0.914239 0.383875     1.31752  0.60784      1.26967  0.759197 0.354161  0.782826 0.358167  
1 1 1 67 20 19 o 0.561377 0.271071  -0.622192    0.91669  -1.07934     1.31586  -0.191121    1.27777  0.61621  0.303517  0.683988 0.327747  
1 1 1 67 20 20 o 0.882981 0.356533  1.33863      0.973809 1.76742      1.49198  1.02039      1.28535  0.909243 0.404776  0.81229  0.368031  
1 1 1 67 20 21 f 0.971925 0.382599  2.09519      1.08975  1.11642      1.57134  3.00216      1.51261  0.762349 0.364851  0.999786 0.426993  
1 1 1 67 21 0  o 0.83437  0.443882  1.20155      0.99093  1.20155      0.99093  1.20155      0.99093  0.87685  0.385054  ?        ?         
1 1 1 67 21 1  o 0.914378 0.301268  0.956068     0.63859  1.20016      0.897964 0.706306     0.90833  1.00911  0.356129  0.87253  0.347451  
1 1 1 67 21 2  o 1.59969  0.230204  2.77426      0.73651  2.63949      1.08944  2.8877       0.999523 1.4446   0.374169  1.54748  0.332511  
1 1 1 67 21 3  o 0.715248 0.299304  0.282741     0.718168 0.49875      1.10886  0.126661     0.942569 0.865488 0.367486  0.751734 0.329186  
1 1 1 67 21 4  o 2.78077  0.14247   7.9917       0.792351 6.57095      1.21362  9.04723      1.04607  2.44092  0.248598  2.9312   0.178437  
1 1 1 67 21 5  o 0.638313 0.285065  -0.09423     0.745239 0.451072     1.14668  -0.492985    0.980565 0.858955 0.369466  0.660122 0.30701   
1 1 1 67 21 6  o 1.34266  0.29344   2.13629      0.766264 0.949487     1.11356  3.20368      1.05605  0.949816 0.382192  1.61401  0.338032  
1 1 1 67 21 7  o 2.84236  0.143857  8.38562      0.817787 9.21256      1.21776  7.70635      1.10369  2.92117  0.208437  2.67363  0.206402  
1 1 1 67 21 8  o 1.07763  0.332484  1.44824      0.787721 1.33642      1.18834  1.53589      1.05208  1.03862  0.40162   1.08883  0.385356  
1 1 1 67 21 9  o 0.991229 0.333123  1.20796      0.780777 0.611992     1.1276   1.75687      1.08217  0.873624 0.370741  1.14612  0.392184  
1 1 1 67 21 10 o 0.78535  0.318811  0.540785     0.784429 -0.243074    1.1224   1.28923      1.09675  0.728289 0.334691  1.01322  0.38731   
1 1 1 67 21 11 o 0.720209 0.311396  0.25635      0.822623 -0.87782     1.19876  1.26579      1.13093  0.666506 0.318908  0.993234 0.39015   
1 1 1 67 21 12 o 0.865871 0.336049  0.879871     0.833576 1.7987       1.21311  0.0579469    1.14735  1.10309  0.41091   0.758545 0.344967  
1 1 1 67 21 13 f 2.55108  0.184547  7.08735      0.941587 7.0892       1.2971   7.08528      1.36902  2.44869  0.264855  2.42231  0.282586  
1 1 1 67 21 14 o 0.811467 0.331274  0.723685     0.851779 -0.057443    1.25314  1.39451      1.16129  0.749954 0.348125  0.984016 0.392545  
1 1 1 67 21 15 o 1.47405  0.326417  2.89015      0.93677  2.67233      1.36024  3.08666      1.29198  1.24575  0.438449  1.37909  0.425868  
1 1 1 67 21 16 o 1.1139   0.359337  1.90692      0.909575 2.1044       1.3355   1.73607      1.24222  1.0679   0.422542  1.00322  0.403673  
1 1 1 67 21 17 o 0.800976 0.337915  0.860562     0.927768 0.807393     1.31166  0.913797     1.31246  0.813316 0.369599  0.827923 0.373669  
1 1 1 67 21 18 o 0.995413 0.356853  1.65341      0.904786 1.56307      1.30174  1.73784      1.25848  0.913403 0.393281  0.94967  0.396725  
1 1 1 67 21 19 o 0.666198 0.305147  0.21076      0.924478 0.360517     1.31831  0.0658552    1.29678  0.737019 0.34633   0.703737 0.335514  
1 1 1 67 21 20 o 0.713733 0.322629  0.722583     0.982157 -0.632532    1.44288  1.89258      1.34071  0.622222 0.308408  0.867478 0.385123  
1 1 1 67 22 0  o 0.500373 0.340664  -0.251859    0.99443  -0.251859    0.99443  -0.251859    0.99443  0.41593  0.284273  ?        ?         
1 1 1 67 22 1  o 0.606029 0.273105  -0.153882    0.698434 -0.827402    1.12909  0.263574     0.88891  0.665931 0.31551   0.756244 0.325293  
1 1 1 67 22 2  o 1.76913  0.21617   3.39257      0.764865 3.1913       1.17611  3.54008      1.00687  1.57099  0.378287  1.75596  0.286701  
1 1 1 67 22 3  o 1.83835  0.203255  3.6333       0.747308 3.7846       1.14422  3.52075      0.986863 1.75638  0.337786  1.75432  0.281267  
1 1 1 67 22 4  o 2.06544  0.187769  4.54224      0.775654 4.8368       1.18084  4.3187       1.02871  2.04876  0.288185  1.95792  0.262704  
1 1 1 67 22 5  o 0.84097  0.319301  0.746411     0.741259 0.84409      1.12717  0.671976     0.983961 0.924616 0.379874  0.863972 0.354935  
1 1 1 67 22 6  f 1.3545   0.294526  2.19185      0.775588 2.19242      1.16105  2.19139      1.04224  1.26548  0.405759  1.28764  0.379364  
1 1 1 67 22 7  o 2.10112  0.189393  4.71926      0.795875 5.6338       1.21451  4.03097      1.05363  2.21946  0.273605  1.87037  0.281664  
1 1 1 67 22 8  o 0.988474 0.345081  1.21188      0.841139 0.68103      1.2239   1.68706      1.15794  0.898549 0.383932  1.11651  0.403359  
1 1 1 67 22 9  f 0.814256 0.326612  0.653819     0.809603 0.271036     1.18035  0.9939       1.11256  0.811187 0.360607  0.93511  0.379655  
1 1 1 67 22 10 o 1.14148  0.341454  1.72355      0.839467 -0.0608181   1.20273  3.4186       1.17223  0.758783 0.347763  1.5875   0.37477   
1 1 1 67 22 11 o 0.57347  0.270762  -0.55996     0.824548 0.565519     1.16946  -1.67257     1.16275  0.837778 0.366769  0.576772 0.284073  
1 1 1 67 22 12 o 0.605731 0.282456  -0.330005    0.836947 -0.00849885  1.18906  -0.645693    1.17826  0.74585  0.343486  0.667881 0.31875   
1 1 1 67 22 13 o 2.07683  0.224785  4.91598      0.933681 5.20567      1.28907  4.59628      1.35419  2.01603  0.319704  1.7915   0.388858  
1 1 1 67 22 14 o 0.719073 0.315868  0.312409     0.873433 0.79919      1.27363  -0.119779    1.20009  0.865233 0.380742  0.72401  0.337849  
1 1 1 67 22 15 o 1.28784  0.344998  2.43097      0.906729 1.73736      1.30317  3.08188      1.26242  0.991542 0.408096  1.32511  0.422922  
1 1 1 67 22 16 o 0.728316 0.317062  0.54098      0.863901 1.35232      1.2612   -0.176216    1.18577  0.895548 0.386367  0.677535 0.322106  
1 1 1 67 22 17 o 0.626507 0.292309  -0.0513449   0.897965 0.503628     1.27676  -0.594566    1.26317  0.758492 0.35182   0.643082 0.312141  
1 1 1 67 22 18 f 0.585903 0.27937   -0.34174     0.899792 -0.0913071   1.26948  -0.59457     1.27554  0.686594 0.328438  0.641593 0.312122  
1 1 1 67 22 19 o 0.533899 0.262969  -0.829614    0.990005 -1.41161     1.45878  -0.332705    1.34794  0.580367 0.290568  0.631966 0.310502  
1 1 1 67 23 0  o 3.07968  0.208671  9.9959       1.27174  9.9959       1.27174  9.9959       1.27174  3.12152  0.14475   ?        ?         
1 1 1 67 23 1  o 0.64316  0.293049  -0.231837    0.836626 0.968718     1.17086  -1.48422     1.19587  0.954616 0.388838  0.619835 0.301737  
1 1 1 67 23 2  o 0.683345 0.297915  0.117311     0.764948 -0.814676    1.13684  0.888377     1.03405  0.666078 0.316058  0.91948  0.368995  
1 1 1 67 23 3  o 1.41664  0.273845  2.34228      0.748188 2.07194      1.13492  2.55007      0.99502  1.23227  0.401629  1.41412  0.352626  
1 1 1 67 23 4  o 2.75564  0.143564  7.89516      0.79122  8.4699       1.21691  7.47426      1.04139  2.78523  0.218458  2.63677  0.197474  
1 1 1 67 23 5  o 0.612868 0.276929  -0.148187    0.72293  -1.51082     1.09883  0.891758     0.959943 0.582888 0.284754  0.906672 0.358398  
1 1 1 67 23 6  o 1.69435  0.231997  3.18493      0.786168 2.80487      1.15874  3.50909      1.07015  1.43385  0.392673  1.68157  0.329963  
1 1 1 67 23 7  o 1.857    0.228842  3.83936      0.84992  4.53241      1.2295   3.20508      1.17621  1.92709  0.319003  1.53678  0.383497  
1 1 1 67 23 8  o 1.78936  0.237904  3.61993      0.85139  3.19942      1.18984  4.06113      1.21878  1.5152   0.390328  1.75811  0.359032  
1 1 1 67 23 9  o 0.502446 0.246396  -1.26167     0.841991 -2.26498     1.32235  -0.577521    1.09196  0.583453 0.290135  0.659624 0.311484  
1 1 1 67 23 10 o 0.997654 0.338873  1.34113      0.807962 1.87333      1.13502  0.794402     1.1504   1.11443  0.399668  0.869753 0.371947  
1 1 1 67 23 11 o 0.577785 0.271131  -0.424093    0.799591 0.559501     1.14437  -1.36236     1.11769  0.821025 0.361098  0.582444 0.285153  
1 1 1 67 23 12 o 1.89307  0.2347    4.13734      0.888604 4.39292      1.25019  3.87638      1.26327  1.78529  0.362754  1.62992  0.391789  
1 1 1 67 23 13 o 0.640439 0.295162  -0.135476    0.880184 -0.943485    1.26092  0.632418     1.22922  0.64883  0.314105  0.829065 0.368329  
1 1 1 67 23 14 o 0.781728 0.329229  0.741321     0.878197 1.56459      1.2874   0.0248214    1.20102  0.951773 0.399626  0.713458 0.334345  
1 1 1 67 23 15 o 0.904259 0.34905   1.29293      0.896783 0.469972     1.24731  2.17355      1.29027  0.761184 0.351022  1.04822  0.415144  
1 1 1 67 23 16 o 0.633273 0.293334  0.0140798    0.883633 -0.698649    1.25636  0.711779     1.24304  0.633508 0.30855   0.78334  0.356996  
1 1 1 67 23 17 o 0.662505 0.304144  0.17566      0.924203 0.18136      1.30942  0.170003     1.30463  0.71989  0.34046   0.718128 0.339726  
1 1 1 67 23 18 o 0.509349 0.250856  -0.914678    0.911061 -0.374383    1.31956  -1.40684     1.25941  0.629478 0.308616  0.550328 0.274973  
1 1 1 67 24 0  o 2.19898  0.296356  5.48972      1.25069  5.48972      1.25069  5.48972      1.25069  2.27483  0.197823  ?        ?         
1 1 1 67 24 1  o 1.77534  0.249773  3.55176      0.886865 3.45083      1.24571  3.65551      1.2629   1.59901  0.392017  1.65287  0.388217  
1 1 1 67 24 2  o 1.3125   0.327524  2.17088      0.857929 1.42038      1.20824  2.93409      1.21842  1.04183  0.404532  1.45142  0.40471   
1 1 1 67 24 3  o 2.33453  0.188312  5.85844      0.879241 6.09897      1.24148  5.6164       1.2454   2.29861  0.27005   2.18995  0.284344  
1 1 1 67 24 4  o 3.37112  0.137077  11.8316      0.924204 12.3435      1.29245  11.2959      1.32209  3.38076  0.191149  3.21551  0.205581  
1 1 1 67 24 5  o 1.2341   0.329963  1.96814      0.830421 3.43004      1.27268  0.88428      1.09584  1.55529  0.405152  0.901815 0.373046  
1 1 1 67 24 6  o 1.73425  0.240073  3.41815      0.832692 2.80872      1.20981  3.96675      1.14784  1.3849   0.408951  1.75598  0.338934  
1 1 1 67 24 7  o 1.99616  0.218818  4.45918      0.873592 5.01097      1.26179  3.95117      1.21069  2.00608  0.314489  1.71128  0.364571  
1 1 1 67 24 8  o 0.777037 0.325296  0.554954     0.848862 -0.0733488   1.24151  1.10655      1.16326  0.752452 0.348216  0.932676 0.384992  
1 1 1 67 24 9  o 0.545624 0.262631  -0.805994    0.843933 -0.828201    1.27019  -0.788443    1.12921  0.671844 0.323096  0.63917  0.306714  
1 1 1 67 24 10 o 2.12777  0.206924  5.06386      0.880573 5.8188       1.30339  4.42992      1.19438  2.15669  0.302173  1.82778  0.339439  
1 1 1 67 24 11 o 0.924695 0.348292  1.16694      0.876322 0.514113     1.21101  1.88457      1.26969  0.814698 0.363624  1.07571  0.415309  
1 1 1 67 24 12 o 0.573913 0.274039  -0.565423    0.873639 0.473027     1.31437  -1.38735     1.16934  0.804821 0.366869  0.582935 0.287142  
1 1 1 67 24 13 o 1.14961  0.360921  2.08288      0.922845 2.58011      1.31834  1.60514      1.29225  1.1543   0.428685  0.952667 0.400208  
1 1 1 67 24 14 o 0.914039 0.348786  1.33607      0.888139 -0.0441146   1.2373   2.80305      1.27561  0.696529 0.330138  1.19446  0.424164  
1 1 1 67 24 15 o 0.667458 0.305048  0.185984     0.918169 1.30926      1.36213  -0.749413    1.243    0.872132 0.387563  0.627275 0.305763  
1 1 1 67 24 16 o 0.593669 0.281676  -0.280584    0.902792 0.486795     1.32988  -0.936491    1.2295   0.753445 0.352858  0.604409 0.296829  
1 1 1 67 24 17 o 0.798108 0.337189  1.13992      0.925966 2.16228      1.36846  0.276534     1.25758  0.91321  0.398294  0.678372 0.325078  
1 1 1 67 25 0  o 0.943968 0.490468  1.72431      1.18788  1.72431      1.18788  1.72431      1.18788  1.04673  0.416826  ?        ?         
1 1 1 67 25 1  o 1.09194  0.35244   1.60984      0.874909 1.1333       1.25505  2.06034      1.2203   0.959021 0.39812   1.17126  0.414973  
1 1 1 67 25 2  o 2.28953  0.200395  5.74747      0.917622 4.99695      1.29039  6.51529      1.30517  1.99988  0.322616  2.34411  0.278393  
1 1 1 67 25 3  o 0.585884 0.278269  -0.638124    0.883111 -0.697506    1.22347  -0.573535    1.276    0.682669 0.32557   0.708988 0.335674  
1 1 1 67 25 4  o 1.53228  0.317848  2.9921       0.941418 3.72286      1.26897  2.09759      1.40397  1.61612  0.395319  1.14305  0.437843  
1 1 1 67 25 5  o 1.2228   0.360542  2.08619      0.941022 1.96589      1.26529  2.23509      1.40769  1.12331  0.419413  1.16653  0.440862  
1 1 1 67 25 6  o 0.709534 0.315298  0.182145     0.901429 -0.452744    1.27333  0.820008     1.2763   0.712316 0.336363  0.884213 0.385158  
1 1 1 67 25 7  o 0.612287 0.285704  -0.325996    0.858122 1.7105       1.33942  -1.74383     1.11761  1.04627  0.419926  0.552574 0.273288  
1 1 1 67 25 8  o 0.847572 0.339983  0.860962     0.877269 0.643783     1.26978  1.05929      1.21343  0.848776 0.376063  0.914574 0.386176  
1 1 1 67 25 9  o 1.92508  0.239517  4.31108      0.922178 3.77363      1.41455  4.70833      1.21614  1.52057  0.440041  1.91368  0.317748  
1 1 1 67 25 10 o 2.08838  0.228613  5.049        0.95486  5.42225      1.36451  4.69083      1.33667  1.97588  0.358496  1.79618  0.383373  
1 1 1 67 25 11 o 2.02445  0.240221  4.92957      0.97263  3.50561      1.4695   6.03972      1.29751  1.33863  0.45701   2.14084  0.303039  
1 1 1 67 25 12 o 0.904093 0.359531  1.2982       0.971373 1.24534      1.48801  1.33745      1.28229  0.881234 0.397795  0.897434 0.388412  
1 1 1 67 25 13 o 0.869427 0.350901  1.20469      0.942681 1.81458      1.39129  0.687072     1.28174  0.94995  0.407731  0.784211 0.359245  
1 1 1 67 25 14 o 0.73691  0.323342  0.58347      0.913166 1.4409       1.37452  -0.0939582   1.22176  0.894772 0.394511  0.686289 0.326595  
1 1 1 67 25 15 f 1.3068   0.350682  2.69475      0.935843 3.24736      1.38083  2.22528      1.27273  1.21978  0.440492  1.02702  0.410526  
1 1 1 67 25 16 o 0.873798 0.347524  1.47439      0.907677 0.494451     1.28332  2.45532      1.28397  0.696596 0.332503  0.9774   0.404025  
1 1 1 67 26 0  f 0.532608 0.370568  -0.476183    1.34209  -0.476183    1.34209  -0.476183    1.34209  0.446249 0.310799  ?        ?         
1 1 1 67 26 1  o 3.96691  0.145086  16.6224      1.15109  16.286       1.58614  16.9967      1.6731   3.82297  0.207448  3.89071  0.215012  
1 1 1 67 26 2  o 2.15922  0.228169  5.31755      0.985336 4.213        1.34506  6.59681      1.44753  1.69814  0.401805  2.27877  0.317612  
1 1 1 67 26 3  o 0.738552 0.324293  0.324178     0.91988  -0.575596    1.25011  1.38668      1.35845  0.691735 0.329704  0.983898 0.411678  
1 1 1 67 26 4  o 0.667542 0.304679  -0.0707574   0.912525 0.0303516    1.23989  -0.190244    1.34787  0.758963 0.34999   0.75314  0.353166  
1 1 1 67 26 5  o 0.661088 0.304523  -0.147787    0.935342 0.00273268   1.28346  -0.318272    1.36593  0.762658 0.353365  0.741838 0.349738  
1 1 1 67 26 6  o 0.926899 0.364164  1.16724      0.985471 -0.773921    1.39671  3.09158      1.39064  0.702221 0.337973  1.35297  0.444579  
1 1 1 67 26 7  o 1.00003  0.366588  1.45184      0.959486 1.34543      1.28561  1.58564      1.44159  0.96318  0.401584  1.00499  0.422469  
1 1 1 67 26 8  o 0.70027  0.314925  0.17479      0.923949 0.640264     1.25618  -0.373834    1.36377  0.830899 0.370613  0.723177 0.344579  
1 1 1 67 26 9  o 2.0903   0.247855  5.28638      1.03618  4.3751       1.4673   6.1929       1.46346  1.57962  0.445321  2.06336  0.367849  
1 1 1 67 26 10 o 0.639535 0.29727   -0.0672993   0.917701 -0.647434    1.47828  0.296459     1.17057  0.691233 0.33619   0.73824  0.340294  
1 1 1 67 26 11 o 1.03356  0.368085  1.80268      0.961222 2.26973      1.50182  1.47858      1.25103  1.02308  0.43069   0.913553 0.389185  
1 1 1 67 26 12 f 0.882117 0.351181  1.26266      0.927727 2.14947      1.42101  0.603881     1.22476  0.998533 0.419583  0.765868 0.350979  
1 1 1 67 26 13 o 0.624655 0.292668  -0.114528    0.918506 0.929066     1.33098  -1.06342     1.26915  0.82127  0.372973  0.609443 0.300032  
1 1 1 67 26 14 o 1.23854  0.354915  2.50906      0.924654 2.68475      1.34694  2.35247      1.27163  1.08717  0.426094  1.03998  0.412054  
1 1 1 67 26 15 o 0.675077 0.306584  0.515634     0.89937  0.0858984    1.29809  0.912358     1.24724  0.658982 0.318964  0.741607 0.345425  
1 1 1 67 27 0  o 0.531459 0.375235  -0.732761    1.48275  -0.732761    1.48275  -0.732761    1.48275  0.441258 0.312456  ?        ?         
1 1 1 67 27 1  o 1.60775  0.350789  3.53281      1.09674  5.57812      1.64429  1.89363      1.47202  1.88326  0.443392  1.06514  0.435273  
1 1 1 67 27 2  o 0.669554 0.312518  -0.248662    1.02771  -0.9858      1.53513  0.350029     1.38348  0.711416 0.344932  0.818905 0.374341  
1 1 1 67 27 3  o 1.64065  0.31      3.46617      0.980109 2.99206      1.33736  4.01627      1.44056  1.33868  0.435978  1.57344  0.440491  
1 1 1 67 27 4  f 0.746973 0.329391  0.365663     0.958651 1.25337      1.31592  -0.638233    1.3994   0.944506 0.400648  0.711163 0.341305  
1 1 1 67 27 5  o 0.820114 0.344747  0.755747     0.959939 1.05534      1.28298  0.374722     1.44687  0.902417 0.389514  0.82059  0.378282  
1 1 1 67 27 6  o 0.641712 0.299033  -0.182387    0.936072 0.188852     1.24105  -0.672309    1.42569  0.75634  0.349302  0.698858 0.337573  
1 1 1 67 27 7  o 1.35357  0.349439  2.70648      0.952191 3.40073      1.291    1.87825      1.41007  1.39327  0.424792  1.00119  0.419204  
1 1 1 67 27 8  o 0.958594 0.368242  1.51339      0.995417 1.11291      1.30103  2.0788       1.54589  0.866082 0.382586  1.00568  0.430656  
1 1 1 67 27 9  o 1.09639  0.387927  2.12807      1.06609  1.61751      1.54464  2.59253      1.47326  0.921624 0.411028  1.09085  0.439332  
1 1 1 67 27 10 o 0.848271 0.355295  1.13851      1.01346  0.699089     1.38786  1.6405       1.4834   0.789812 0.366525  0.911739 0.404895  
1 1 1 67 27 11 o 0.686702 0.312306  0.277209     0.940573 0.555402     1.29646  -0.0319303   1.36666  0.769876 0.356111  0.713684 0.341248  
1 1 1 67 27 12 o 1.62759  0.314229  3.74178      0.986364 3.28296      1.38936  4.20803      1.40056  1.23845  0.442382  1.47239  0.441167  
1 1 1 67 27 13 o 0.538396 0.262467  -0.698895    0.916803 -1.17553     1.29867  -0.225354    1.29445  0.583671 0.289868  0.653441 0.316797  
1 1 1 67 28 0  o 0.487265 0.351419  -1.28361     1.52187  -1.28361     1.52187  -1.28361     1.52187  0.396465 0.287043  ?        ?         
1 1 1 67 28 1  o 0.655934 0.308702  -0.287207    1.05527  0.879941     1.50139  -1.42677     1.48354  0.869207 0.395112  0.65147  0.320863  
1 1 1 67 28 2  o 0.678079 0.315793  -0.0703282   1.042    -0.225323    1.4868   0.0792871    1.46076  0.74376  0.355701  0.769204 0.362357  
1 1 1 67 28 3  o 0.965396 0.383561  1.53895      1.10464  2.50995      1.64545  0.742282     1.49043  1.08529  0.453525  0.838626 0.385516  
1 1 1 67 28 4  o 0.98009  0.391296  1.66535      1.15477  2.19932      1.63325  1.13158      1.63294  1.02492  0.440899  0.88298  0.404906  
1 1 1 67 28 5  o 0.837978 0.356241  0.991191     1.04431  0.442646     1.39833  1.68299      1.57034  0.783338 0.365205  0.946208 0.41885   
1 1 1 67 28 6  o 0.800598 0.341327  0.845156     0.963585 0.722038     1.26504  1.01531      1.48718  0.800386 0.363523  0.85018  0.388421  
1 1 1 67 28 7  o 0.993652 0.380471  1.75236      1.05982  2.63019      1.41459  0.629169     1.60012  1.10749  0.435926  0.803877 0.378854  
1 1 1 67 28 8  f 0.743459 0.331785  0.590518     1.00793  1.0069       1.37428  0.105823     1.48274  0.826397 0.376283  0.736108 0.352802  
1 1 1 67 28 9  o 0.772085 0.343079  0.710795     1.06713  1.32378      1.51258  0.103335     1.50575  0.872788 0.396698  0.742197 0.355675  
1 1 1 67 28 10 o 0.792721 0.344586  0.854951     1.01756  -0.131143    1.31717  2.31458      1.60252  0.694667 0.332839  0.998922 0.433299  
1 1 1 67 28 11 f 0.753475 0.332675  0.736478     0.982026 0.588805     1.30826  0.927081     1.48631  0.752239 0.35169   0.798156 0.373661  
1 1 1 67 28 12 o 1.00869  0.374003  2.09252      1.00265  2.27945      1.3462   1.85964      1.50257  0.931631 0.40051   0.846057 0.388155  
1 1 1 67 29 0  o 1.0083   0.553996  2.62136      1.58399  2.62136      1.58399  2.62136      1.58399  1.21182  0.481042  ?        ?         
1 1 1 67 29 1  o 1.0673   0.397373  2.08109      1.13421  0.510814     1.66912  3.4282       1.54597  0.803724 0.382126  1.24531  0.463875  
1 1 1 67 29 2  o 1.14816  0.404627  2.4318       1.15882  2.50813      1.65335  2.3581       1.62466  1.04128  0.445619  1.02247  0.43979   
1 1 1 67 29 3  o 1.09649  0.401107  2.2369       1.14817  2.08091      1.66863  2.37717      1.58232  0.972569 0.430982  1.02684  0.437577  
1 1 1 67 29 4  o 0.837017 0.360546  1.06453      1.09496  0.252229     1.48906  2.02087      1.6157   0.755474 0.360011  0.962637 0.425651  
1 1 1 67 29 5  o 0.631398 0.302821  -0.367542    1.09701  -2.23991     1.4542   2.10518      1.67115  0.57201  0.287814  0.958998 0.427617  
1 1 1 67 29 6  o 1.14137  0.398291  2.41562      1.12044  2.608        1.55718  2.2091       1.61339  1.05476  0.441008  0.982704 0.430501  
1 1 1 67 29 7  o 0.709899 0.329599  0.233234     1.12404  -1.72204     1.6907   1.78209      1.50476  0.645062 0.321779  0.938797 0.413478  
1 1 1 67 29 8  f 1.6341   0.346882  4.0013       1.09939  3.58557      1.45216  4.55953      1.68275  1.28815  0.453056  1.38912  0.487788  
1 1 1 67 29 9  o 0.622498 0.298013  -0.283269    1.05042  -1.08906     1.43546  0.645609     1.5412   0.626356 0.309765  0.775576 0.368008  
1 1 1 67 29 10 o 0.995938 0.37353   1.98834      1.00582  1.41555      1.33145  2.74973      1.53506  0.820856 0.372853  0.982753 0.425151  
1 1 1 67 30 0  o 0.516401 0.372353  -1.02315     1.70389  -1.02315     1.70389  -1.02315     1.70389  0.4345   0.313273  ?        ?         
1 1 1 67 30 1  o 0.611736 0.299114  -0.874641    1.21964  -2.686       1.61318  1.54219      1.8634   0.583497 0.294288  0.889469 0.416762  
1 1 1 67 30 2  o 0.701083 0.325243  0.2134       1.0917   0.121587     1.48729  0.320654     1.6075   0.741845 0.355019  0.770989 0.368996  
1 1 1 67 30 3  o 0.842003 0.360889  1.09114      1.08729  0.63006      1.56773  1.51846      1.50925  0.798257 0.375852  0.900247 0.40376   
1 1 1 67 30 4  o 0.653653 0.309531  -0.176768    1.08542  0.518744     1.46509  -1.02296     1.61602  0.781069 0.366611  0.674522 0.332397  
1 1 1 67 30 5  o 1.49339  0.389283  3.71272      1.17445  3.58747      1.64468  3.84306      1.67765  1.20372  0.47103   1.24036  0.477699  
1 1 1 67 30 6  o 1.15543  0.408484  2.62578      1.18186  1.79535      1.71105  3.38346      1.63439  0.902817 0.414201  1.14721  0.462443  
1 1 1 67 30 7  o 1.03863  0.397768  2.24061      1.15855  1.08558      1.67342  3.30385      1.60556  0.806574 0.383072  1.10277  0.453273  
1 1 1 67 30 8  o 1.04759  0.390627  2.35645      1.09684  1.96828      1.55373  2.74207      1.54863  0.863358 0.395513  0.967223 0.42276   
1 1 1 67 30 9  o 0.786943 0.347657  1.16761      1.07462  1.30831      1.53386  1.03198      1.50601  0.780631 0.368856  0.754761 0.360251  
1 1 1 67 31 0  o 0.500484 0.361842  -1.1032      1.66547  -1.1032      1.66547  -1.1032      1.66547  0.41956  0.303463  ?        ?         
1 1 1 67 31 1  o 0.677194 0.323774  -0.0695319   1.22966  0.361954     1.6096   -0.674341    1.90565  0.756669 0.363846  0.712091 0.353301  
1 1 1 67 31 2  o 0.914068 0.383983  1.63442      1.18954  3.69873      1.70661  -0.316183    1.65894  1.1588   0.470302  0.706463 0.346255  
1 1 1 67 31 3  o 0.798709 0.360465  1.02036      1.22119  -0.142021    1.61262  2.5831       1.86982  0.705168 0.3446    0.946775 0.433793  
1 1 1 67 31 4  o 0.68165  0.326075  0.129551     1.25132  -0.351588    1.61504  0.85216      1.97925  0.680221 0.335027  0.778108 0.380599  
1 1 1 67 31 5  o 1.40004  0.416686  3.9884       1.25227  5.10462      1.77659  2.88616      1.76542  1.26877  0.490971  0.937454 0.426752  
1 1 1 67 31 6  o 0.666154 0.314988  0.297859     1.12035  -0.737382    1.67428  1.13724      1.50761  0.641623 0.320084  0.764583 0.363351  
1 1 1 67 32 0  o 0.754826 0.483182  1.83583      1.58395  1.83583      1.58395  1.83583      1.58395  0.842535 0.464728  ?        ?         
1 1 1 67 32 1  o 0.907539 0.387331  1.99093      1.24316  1.60611      1.84933  2.30819      1.67915  0.795045 0.384109  0.871991 0.404083  
1 1 1 68 0  0  o 4.94074  0.159871  24.6295      1.57602  24.6295      1.57602  24.6295      1.57602  4.95181  0.112657  ?        ?         
1 1 1 68 0  1  o 1.59686  0.275166  2.80305      0.800489 2.80305      0.800489 2.80305      0.800489 1.64059  0.177234  ?        ?         
1 1 1 68 0  2  o 1.27703  0.344603  1.98108      0.759179 1.98108      0.759179 1.98108      0.759179 1.35304  0.21458   ?        ?         
1 1 1 68 0  3  o 3.17738  0.134066  10.1932      0.848512 10.1932      0.848512 10.1932      0.848512 3.18509  0.0943744 ?        ?         
1 1 1 68 0  4  o 3.01134  0.142758  9.17466      0.85538  9.17466      0.85538  9.17466      0.85538  3.02025  0.100383  ?        ?         
1 1 1 68 0  5  o 0.444451 0.29948   -0.237644    0.739473 -0.237644    0.739473 -0.237644    0.739473 0.361416 0.246418  ?        ?         
1 1 1 68 0  6  o 4.30191  0.111163  18.6011      0.954984 18.6011      0.954984 18.6011      0.954984 4.30742  0.0784438 ?        ?         
1 1 1 68 0  7  o 3.94246  0.11835   15.6407      0.931274 15.6407      0.931274 15.6407      0.931274 3.94866  0.0834683 ?        ?         
1 1 1 68 0  8  o 1.94519  0.207451  3.95303      0.786078 3.95303      0.786078 3.95303      0.786078 1.96751  0.14299   ?        ?         
1 1 1 68 0  9  o 2.94252  0.147017  8.7757       0.860276 8.7757       0.860276 8.7757       0.860276 2.95251  0.103302  ?        ?         
1 1 1 68 0  10 o 0.678363 0.383802  0.661644     0.790041 0.661644     0.790041 0.661644     0.790041 0.658686 0.337646  ?        ?         
1 1 1 68 0  11 o 0.705942 0.396664  0.729272     0.836857 0.729272     0.836857 0.729272     0.836857 0.689828 0.348867  ?        ?         
1 1 1 68 0  12 o 3.3626   0.142071  11.4381      0.951573 11.4381      0.951573 11.4381      0.951573 3.3723   0.099962  ?        ?         
1 1 1 68 0  13 o 1.67805  0.271636  3.08728      0.839588 3.08728      0.839588 3.08728      0.839588 1.72207  0.176631  ?        ?         
1 1 1 68 0  14 o 1.17218  0.404057  1.85339      0.851295 1.85339      0.851295 1.85339      0.851295 1.27305  0.268816  ?        ?         
1 1 1 68 0  15 o 4.17328  0.138736  17.5992      1.15506  17.5992      1.15506  17.5992      1.15506  4.18426  0.0977188 ?        ?         
1 1 1 68 0  16 o 0.367368 0.265702  -1.33509     0.902355 -1.33509     0.902355 -1.33509     0.902355 0.277012 0.203579  ?        ?         
1 1 1 68 0  17 o 3.29787  0.171197  11.0944      1.12223  11.0944      1.12223  11.0944      1.12223  3.3145   0.120064  ?        ?         
1 1 1 68 0  18 o 1.05081  0.467841  1.71294      1.03438  1.71294      1.03438  1.71294      1.03438  1.14541  0.363897  ?        ?         
1 1 1 68 0  19 o 0.926833 0.459881  1.40151      1.01998  1.40151      1.01998  1.40151      1.01998  0.9874   0.38462   ?        ?         
1 1 1 68 0  20 o 0.814163 0.441067  1.08826      0.992738 1.08826      0.992738 1.08826      0.992738 0.834198 0.384979  ?        ?         
1 1 1 68 0  21 o 1.15279  0.472853  2.03972      1.07119  2.03972      1.07119  2.03972      1.07119  1.2792   0.343326  ?        ?         
1 1 1 68 0  22 o 1.45068  0.437517  2.81291      1.1048   2.81291      1.1048   2.81291      1.1048   1.58071  0.271036  ?        ?         
1 1 1 68 0  23 o 3.16424  0.198712  10.4365      1.24618  10.4365      1.24618  10.4365      1.24618  3.19772  0.138372  ?        ?         
1 1 1 68 0  24 o 0.633702 0.401644  0.448212     1.07089  0.448212     1.07089  0.448212     1.07089  0.580099 0.353718  ?        ?         
1 1 1 68 0  25 o 0.442138 0.314401  -0.957695    1.093    -0.957695    1.093    -0.957695    1.093    0.349534 0.251866  ?        ?         
1 1 1 68 0  26 o 0.633697 0.415013  0.392985     1.25927  0.392985     1.25927  0.392985     1.25927  0.577067 0.365984  ?        ?         
1 1 1 68 0  27 o 0.596385 0.398632  0.204701     1.25939  0.204701     1.25939  0.204701     1.25939  0.532609 0.348887  ?        ?         
1 1 1 68 0  28 o 0.674674 0.445936  0.732885     1.49706  0.732885     1.49706  0.732885     1.49706  0.645769 0.405042  ?        ?         
1 1 1 68 0  29 o 1.38299  0.568972  3.90074      1.54958  3.90074      1.54958  3.90074      1.54958  1.71022  0.364779  ?        ?         
1 1 1 68 0  30 o 0.487045 0.350931  -0.894728    1.49918  -0.894728    1.49918  -0.894728    1.49918  0.409039 0.294774  ?        ?         
1 1 1 68 1  0  o 3.34313  0.1344    11.2807      0.895333 11.2807      0.895333 11.2807      0.895333 3.35097  0.0946354 ?        ?         
1 1 1 68 1  1  o 3.57536  0.0893476 12.8342      0.6389   13.3035      0.907507 12.3731      0.899626 3.63334  0.124886  3.50321  0.1284    
1 1 1 68 1  2  o 1.51156  0.183218  2.32326      0.55389  1.6264       0.781293 3.02739      0.785361 1.22227  0.316996  1.71769  0.228609  
1 1 1 68 1  3  o 3.04145  0.103386  9.30014      0.628886 9.13348      0.870644 9.48196      0.909378 3.00639  0.144799  3.06239  0.148475  
1 1 1 68 1  4  o 4.04563  0.0864338 16.429       0.699358 16.9537      0.990716 15.9078      0.987376 4.1024   0.120748  3.97298  0.124261  
1 1 1 68 1  5  o 1.09864  0.249548  1.29227      0.535974 2.0031       0.778623 0.652107     0.738899 1.36101  0.294378  0.868871 0.321283  
1 1 1 68 1  6  o 5.62803  0.0753959 31.7699      0.848662 32.1594      1.2054   31.387       1.19505  5.65394  0.106598  5.5855   0.106978  
1 1 1 68 1  7  o 3.03959  0.099002  9.28897      0.60185  9.27112      0.887294 9.30419      0.819082 3.02692  0.146567  3.03503  0.134938  
1 1 1 68 1  8  o 1.75991  0.160443  3.14284      0.564728 3.36251      0.806826 2.93185      0.790709 1.80807  0.223118  1.68587  0.234511  
1 1 1 68 1  9  o 0.712257 0.274614  0.369529     0.554743 0.527919     0.773021 0.201347     0.796558 0.837433 0.323902  0.759507 0.316349  
1 1 1 68 1  10 o 3.74673  0.0945701 14.1133      0.708656 14.0641      1.03044  14.1575      0.976149 3.72883  0.138171  3.74352  0.130378  
1 1 1 68 1  11 o 0.530066 0.242627  -0.374813    0.583342 -1.18844     0.801354 0.542335     0.850807 0.52377  0.253014  0.863284 0.338586  
1 1 1 68 1  12 o 0.934241 0.286894  0.928328     0.587439 0.904552     0.829495 0.952251     0.832041 0.962804 0.34203   0.978103 0.343043  
1 1 1 68 1  13 o 2.16209  0.146696  4.74526      0.63434  4.21871      0.881625 5.31045      0.913405 2.0205   0.218169  2.27248  0.200971  
1 1 1 68 1  14 o 1.14103  0.274441  1.42657      0.619564 1.10046      0.866931 1.767        0.885766 1.02637  0.351021  1.25345  0.343341  
1 1 1 68 1  15 o 1.85099  0.176197  3.50704      0.652276 4.02286      0.927344 3.00194      0.917649 1.96448  0.236028  1.68572  0.272184  
1 1 1 68 1  16 o 1.97014  0.1815    3.98279      0.715159 4.18985      1.02533  3.78662      0.998    1.99536  0.256928  1.89452  0.263392  
1 1 1 68 1  17 f 1.15373  0.297755  1.48658      0.691487 1.53385      0.964991 1.43668      0.991362 1.16437  0.369572  1.13508  0.375368  
1 1 1 68 1  18 o 3.9036   0.121099  15.4481      0.945446 15.5294      1.26116  15.3438      1.42856  3.89308  0.161974  3.85547  0.185264  
1 1 1 68 1  19 o 1.89554  0.190977  3.73572      0.724009 3.85943      1.03707  3.61811      1.01122  1.88849  0.274577  1.82743  0.276678  
1 1 1 68 1  20 o 0.568701 0.264498  -0.511914    0.727856 -0.537396    1.02401  -0.485894    1.03477  0.68734  0.317381  0.698526 0.321159  
1 1 1 68 1  21 o 1.25305  0.305906  1.8206       0.761003 2.14179      1.1142   1.53975      1.04188  1.31331  0.393488  1.13511  0.384813  
1 1 1 68 1  22 o 1.02093  0.32637   1.22497      0.751581 2.04046      1.11479  0.545421     1.01763  1.26609  0.396524  0.864488 0.35866   
1 1 1 68 1  23 o 1.6993   0.233088  3.15337      0.792172 2.52555      1.11005  3.80493      1.13084  1.39349  0.385534  1.7767   0.330588  
1 1 1 68 1  24 o 2.06848  0.200188  4.60278      0.828167 5.40697      1.14062  3.70614      1.2044   2.19005  0.260409  1.70631  0.363703  
1 1 1 68 1  25 o 0.637616 0.287547  -0.0889394   0.775645 -0.461834    1.08441  0.301685     1.10989  0.680745 0.318779  0.79953  0.353254  
1 1 1 68 1  26 o 0.521744 0.254421  -1.11408     0.863654 -1.20794     1.22289  -1.02067     1.2199   0.628573 0.305733  0.643775 0.311188  
1 1 1 68 1  27 o 0.934349 0.354364  1.20427      0.912162 -0.990116    1.26051  3.61665      1.32164  0.648729 0.314056  1.51854  0.420878  
1 1 1 68 1  28 o 0.901562 0.359968  1.27827      0.977326 0.0665509    1.32367  2.73056      1.44913  0.731152 0.344578  1.14258  0.443156  
1 1 1 68 1  29 o 0.960305 0.379081  1.64196      1.07258  1.25095      1.70164  1.89971      1.38159  0.865389 0.403231  0.968449 0.410649  
1 1 1 68 1  30 o 0.9045   0.375119  1.80238      1.11252  0.0866596    1.56782  3.54245      1.57891  0.684531 0.33586   1.07254  0.445973  
1 1 1 68 2  0  o 2.42019  0.190012  6.01719      0.906691 6.01719      0.906691 6.01719      0.906691 2.43692  0.132439  ?        ?         
1 1 1 68 2  1  o 4.77831  0.0794206 22.9056      0.758992 23.1091      1.07026  22.6996      1.07652  4.79199  0.111672  4.74889  0.113344  
1 1 1 68 2  2  o 2.73308  0.1122    7.51784      0.613303 8.6172       0.850024 6.32409      0.885761 2.91969  0.145567  2.49471  0.177528  
1 1 1 68 2  3  o 1.51324  0.18474   2.33051      0.559113 1.94108      0.764994 2.77708      0.819195 1.33915  0.293646  1.64003  0.24975   
1 1 1 68 2  4  o 1.78198  0.154259  3.2156       0.549774 3.1789       0.777757 3.25225      0.77724  1.7602   0.220928  1.78095  0.21821   
1 1 1 68 2  5  o 2.39844  0.120123  5.79792      0.576216 6.197        0.841501 5.44562      0.790658 2.46977  0.17036   2.31512  0.170759  
1 1 1 68 2  6  o 4.41213  0.0812182 19.5397      0.71669  19.9909      1.04623  19.1408      0.983758 4.45364  0.117458  4.35923  0.112836  
1 1 1 68 2  7  o 1.05595  0.261931  1.20345      0.551195 0.333768     0.806644 1.96522      0.754938 0.796083 0.323252  1.34596  0.288778  
1 1 1 68 2  8  o 3.26557  0.0982994 10.7244      0.642007 9.54262      0.917701 11.8573      0.898473 3.06901  0.149511  3.42616  0.131119  
1 1 1 68 2  9  o 0.930045 0.276431  0.920533     0.551379 0.692437     0.820826 1.10809      0.744312 0.898923 0.337379  1.02196  0.324596  
1 1 1 68 2  10 o 1.24774  0.241827  1.66269      0.581934 1.33376      0.859097 1.94159      0.791065 1.10994  0.348186  1.33105  0.303745  
1 1 1 68 2  11 o 3.52803  0.102002  12.5316      0.71973  12.3402      0.973793 12.762       1.06849  3.49064  0.139486  3.54608  0.150658  
1 1 1 68 2  12 o 2.17482  0.14509   4.79905      0.631089 4.38024      0.862665 5.28126      0.925649 2.06179  0.209202  2.26549  0.204293  
1 1 1 68 2  13 o 0.485736 0.229665  -0.656284    0.595516 -0.794099    0.852881 -0.52517     0.831885 0.595089 0.27939   0.625809 0.287824  
1 1 1 68 2  14 f 2.23313  0.14957   5.07134      0.66802  4.58375      0.934535 5.58078      0.955251 2.10195  0.222302  2.32547  0.205389  
1 1 1 68 2  15 o 1.62046  0.202873  2.70915      0.657494 2.33242      0.936205 3.0758       0.923596 1.44213  0.331356  1.70625  0.270651  
1 1 1 68 2  16 o 1.92307  0.178062  3.79974      0.684854 3.53452      0.969698 4.06369      0.967365 1.8253   0.265628  1.96516  0.246129  
1 1 1 68 2  17 o 0.80818  0.305803  0.562796     0.677989 1.72135      0.9736   -0.527993    0.944695 1.22444  0.368018  0.669307 0.307363  
1 1 1 68 2  18 o 2.54949  0.14872   6.64841      0.75832  5.75746      1.07766  7.52226      1.06727  2.33647  0.230617  2.68879  0.198466  
1 1 1 68 2  19 o 0.999485 0.31578   1.12763      0.705122 1.52089      1.01644  0.762813     0.978999 1.13949  0.380086  0.92383  0.362963  
1 1 1 68 2  20 o 0.859596 0.322435  0.716082     0.749513 1.15225      1.0778   0.307627     1.043    1.03391  0.386884  0.833291 0.355185  
1 1 1 68 2  21 o 1.77067  0.218948  3.34055      0.77537  3.20642      1.13244  3.45892      1.06385  1.63125  0.356913  1.7246   0.320424  
1 1 1 68 2  22 o 1.19355  0.31118   1.69838      0.750372 0.769024     1.05617  2.6456       1.06627  0.914697 0.370494  1.45429  0.366485  
1 1 1 68 2  23 o 0.5014   0.244638  -1.2101      0.802629 -0.494545    1.11157  -1.9896      1.16017  0.698753 0.325709  0.569242 0.280785  
1 1 1 68 2  24 o 1.73528  0.248051  3.37177      0.860878 2.4889       1.13587  4.56339      1.31962  1.35256  0.395259  1.89607  0.360983  
1 1 1 68 2  25 o 0.619039 0.2872    -0.329663    0.851431 -0.00859512  1.18907  -0.667498    1.21972  0.760046 0.347272  0.687404 0.326745  
1 1 1 68 2  26 o 0.585436 0.277369  -0.557577    0.872573 -0.56036     1.25057  -0.554936    1.21809  0.692598 0.329989  0.685473 0.326158  
1 1 1 68 2  27 o 0.67071  0.309134  -0.0517597   0.965697 -0.549004    1.28313  0.597842     1.46659  0.685632 0.32851   0.840739 0.384779  
1 1 1 68 2  28 o 0.951777 0.365335  1.53162      0.979134 1.75055      1.4788   1.36072      1.30655  0.939704 0.411905  0.888531 0.38834   
1 1 1 68 2  29 o 0.636642 0.29888   -0.079147    0.9755   -0.287618    1.43468  0.100106     1.33035  0.692217 0.335099  0.71431  0.340343  
1 1 1 68 3  0  o 2.12032  0.228341  4.71054      0.942654 4.71054      0.942654 4.71054      0.942654 2.14629  0.15722   ?        ?         
1 1 1 68 3  1  o 4.05959  0.0865836 16.5475      0.702988 15.8412      0.959283 17.367       1.03318  3.96427  0.120991  4.14984  0.124484  
1 1 1 68 3  2  o 2.71575  0.111207  7.42545      0.604021 7.49394      0.824619 7.34616      0.887244 2.72032  0.151567  2.69027  0.164899  
1 1 1 68 3  3  o 1.18704  0.245222  1.50616      0.562341 1.33645      0.804342 1.66843      0.7865   1.11215  0.334549  1.23416  0.317005  
1 1 1 68 3  4  o 1.62593  0.167983  2.68609      0.546258 2.75404      0.764976 2.6154       0.780302 1.63414  0.23406   1.59009  0.245364  
1 1 1 68 3  5  o 3.06085  0.10098   9.42376      0.618167 8.82786      0.887635 9.98496      0.861394 2.95197  0.150346  3.14291  0.137038  
1 1 1 68 3  6  o 3.25123  0.0971469 10.6287      0.631694 10.9678      0.94718  10.357       0.847766 3.29193  0.143864  3.20187  0.132386  
1 1 1 68 3  7  o 0.672146 0.267411  0.270737     0.53759  1.80394      0.78895  -1.05813     0.7345   1.28247  0.310469  0.506955 0.244261  
1 1 1 68 3  8  o 2.65655  0.117215  7.11628      0.622773 6.80474      0.869557 7.44438      0.892352 2.58629  0.168109  2.70599  0.164884  
1 1 1 68 3  9  o 0.731265 0.282915  0.389964     0.589847 0.794729     0.846632 0.00818586   0.822242 0.934152 0.344168  0.723714 0.312097  
1 1 1 68 3  10 f 4.4659   0.0959459 20.0645      0.856969 19.2403      1.23385  20.8327      1.19115  4.35772  0.141571  4.53864  0.131223  
1 1 1 68 3  11 o 1.86593  0.164643  3.5472       0.614426 3.99784      0.843982 3.03904      0.896229 1.96833  0.21439   1.70287  0.263152  
1 1 1 68 3  12 o 2.3825   0.135639  5.75401      0.64632  5.65467      0.89305  5.86327      0.93657  2.34667  0.19028   2.38762  0.196131  
1 1 1 68 3  13 o 2.85951  0.121733  8.26833      0.696194 8.07802      0.938051 8.50169      1.03877  2.81279  0.166747  2.8806   0.180304  
1 1 1 68 3  14 o 1.70515  0.197076  2.99419      0.672088 2.08998      0.924482 4.00777      0.978794 1.36093  0.340222  1.95543  0.250275  
1 1 1 68 3  15 o 4.51333  0.0996866 20.5393      0.899836 21.3855      1.22628  19.5522      1.32452  4.59041  0.133569  4.38022  0.151193  
1 1 1 68 3  16 o 2.77988  0.129531  7.842        0.72016  7.8168       1.03001  7.8661       1.0073   2.7537   0.187022  2.76448  0.182185  
1 1 1 68 3  17 o 1.52341  0.224401  2.43541      0.68371  2.05966      0.997289 2.76863      0.939153 1.32739  0.364633  1.57072  0.309991  
1 1 1 68 3  18 o 2.01482  0.18162   4.20913      0.731864 5.3889       1.06376  3.14879      1.00848  2.25198  0.236183  1.66482  0.314357  
1 1 1 68 3  19 o 2.62432  0.150556  7.07791      0.790212 6.91489      1.13193  7.23289      1.10366  2.55438  0.221566  2.61956  0.210658  
1 1 1 68 3  20 o 0.641519 0.284243  -0.094023    0.725479 0.588893     1.04479  -0.729882    1.00815  0.889176 0.365592  0.651705 0.305571  
1 1 1 68 3  21 o 0.685612 0.296443  0.0994459    0.745551 -0.246743    1.06748  0.429132     1.04173  0.734047 0.333537  0.845189 0.357391  
1 1 1 68 3  22 o 2.4144   0.172063  6.12092      0.830858 6.66882      1.13139  5.47955      1.2241   2.47474  0.228587  2.2005   0.278142  
1 1 1 68 3  23 o 0.835404 0.326229  0.705595     0.788077 0.752858     1.10677  0.656987     1.12241  0.901406 0.374012  0.884347 0.372313  
1 1 1 68 3  24 o 1.0003   0.345859  1.2764       0.843209 0.87068      1.10683  1.83755      1.30168  0.909142 0.375424  1.13139  0.424813  
1 1 1 68 3  25 o 0.901777 0.349956  1.02533      0.903958 0.333055     1.22506  1.8528       1.33935  0.806061 0.362558  1.09007  0.42537   
1 1 1 68 3  26 o 0.816188 0.33685   0.735824     0.890286 0.481309     1.26769  0.983519     1.25059  0.820707 0.368998  0.899557 0.386349  
1 1 1 68 3  27 o 1.15345  0.385482  2.23309      1.0455   2.15488      1.49745  2.30749      1.46038  1.03375  0.432361  1.06713  0.434395  
1 1 1 68 3  28 o 1.06999  0.376318  2.0121       1.00189  0.627408     1.57616  2.95092      1.29782  0.793641 0.374608  1.20807  0.427957  
1 1 1 68 3  29 o 0.918922 0.366386  1.60602      1.01119  2.02248      1.51243  1.26938      1.3598   0.911304 0.406564  0.82209  0.374315  
1 1 1 68 4  0  o 1.7032   0.323457  3.26521      0.984778 3.26521      0.984778 3.26521      0.984778 1.76284  0.203686  ?        ?         
1 1 1 68 4  1  o 1.41729  0.207645  2.05848      0.588584 1.95833      0.845709 2.15255      0.819669 1.33521  0.32032   1.40651  0.300218  
1 1 1 68 4  2  o 3.65242  0.0940836 13.4083      0.687265 13.741       0.991032 13.1         0.953909 3.68768  0.134371  3.60116  0.132445  
1 1 1 68 4  3  o 3.14652  0.101933  9.96028      0.641465 9.55861      0.893528 10.3874      0.921453 3.07286  0.14539   3.20374  0.143809  
1 1 1 68 4  4  o 2.70387  0.109315  7.36205      0.591147 7.47014      0.842776 7.25736      0.8294   2.71404  0.155262  2.67517  0.155018  
1 1 1 68 4  5  o 5.10679  0.0814268 26.1817      0.831659 25.8634      1.22594  26.4531      1.13196  5.06364  0.121054  5.12475  0.11044   
1 1 1 68 4  6  o 2.5252   0.120269  6.4323       0.607405 6.90104      0.909366 6.0547       0.816171 2.603    0.174676  2.44002  0.167247  
1 1 1 68 4  7  o 1.4446   0.196545  2.13661      0.567858 2.84127      0.810731 1.45797      0.795626 1.65496  0.244939  1.15228  0.328911  
1 1 1 68 4  8  o 1.1563   0.259461  1.44531      0.585213 1.49011      0.827812 1.40055      0.827419 1.16324  0.336626  1.13136  0.33911   
1 1 1 68 4  9  f 2.88178  0.112418  8.37407      0.647928 7.54469      0.902827 9.2549       0.930413 2.72203  0.165837  3.01849  0.154119  
1 1 1 68 4  10 o 2.17961  0.137817  4.81373      0.600773 3.83433      0.864861 5.72702      0.835161 1.92453  0.224694  2.36755  0.176376  
1 1 1 68 4  11 o 1.32899  0.246501  1.89764      0.630622 2.29958      0.871427 1.45572      0.913746 1.4411   0.311191  1.14671  0.358964  
1 1 1 68 4  12 o 1.24799  0.251282  1.68269      0.605167 2.22713      0.848437 1.11883      0.863432 1.41831  0.307744  1.03131  0.350312  
1 1 1 68 4  13 o 1.04388  0.285891  1.19632      0.614201 1.49501      0.853425 0.875381     0.884638 1.15763  0.343875  0.958983 0.351954  
1 1 1 68 4  14 o 2.31325  0.14928   5.44847      0.690646 4.06019      0.94954  7.00793      1.00638  1.96885  0.24114   2.60796  0.192943  
1 1 1 68 4  15 o 3.21478  0.118253  10.4617      0.760313 9.42753      1.03619  11.668       1.11908  3.03184  0.170884  3.3754   0.16577   
1 1 1 68 4  16 o 0.819451 0.306304  0.605125     0.675229 -1.11452     0.983558 2.1381       0.928642 0.606963 0.290046  1.36456  0.340899  
1 1 1 68 4  17 o 1.096    0.30528   1.36472      0.69364  1.02894      1.01794  1.65578      0.947727 1.00628  0.376098  1.18956  0.36422   
1 1 1 68 4  18 o 0.661484 0.287178  0.0242963    0.705081 0.382421     1.03888  -0.28154     0.960048 0.850737 0.358179  0.703088 0.318336  
1 1 1 68 4  19 o 0.81354  0.308918  0.610277     0.693897 1.45968      0.978531 -0.248874    0.98413  1.11293  0.372931  0.714217 0.322895  
1 1 1 68 4  20 o 0.541803 0.255111  -0.646902    0.722365 -0.771698    1.00534  -0.513704    1.03863  0.642679 0.302127  0.689171 0.318765  
1 1 1 68 4  21 o 1.0434   0.33221   1.30558      0.779295 0.340336     1.05106  2.48405      1.16136  0.823603 0.353975  1.38155  0.398365  
1 1 1 68 4  22 o 1.31774  0.31539   2.11463      0.821364 1.07151      1.16664  3.13987      1.1566   0.980406 0.392564  1.55912  0.374952  
1 1 1 68 4  23 o 1.07562  0.333917  1.45486      0.792883 2.46415      1.13181  0.482172     1.11109  1.34651  0.394892  0.844167 0.363405  
1 1 1 68 4  24 o 1.45153  0.311689  2.64348      0.878799 3.67578      1.22731  1.55734      1.25891  1.63827  0.381366  1.04873  0.411734  
1 1 1 68 4  25 o 0.857324 0.34575   0.87935      0.91422  0.483575     1.24531  1.34198      1.3464   0.823647 0.368148  0.975165 0.409029  
1 1 1 68 4  26 o 0.861583 0.354818  0.933422     0.98569  0.553425     1.39659  1.31059      1.39138  0.83714  0.380679  0.948852 0.407519  
1 1 1 68 4  27 o 0.951849 0.364309  1.5036       0.971351 0.633217     1.44126  2.22797      1.31482  0.79943  0.371957  1.05725  0.418964  
1 1 1 68 4  28 o 0.635331 0.297753  -0.091118    0.953135 0.359598     1.42943  -0.451935    1.27896  0.759877 0.358106  0.660669 0.31923   
1 1 1 68 4  29 o 0.591384 0.288895  -0.472093    1.13078  -0.29139     1.73552  -0.605393    1.4906   0.670803 0.333408  0.629405 0.312302  
1 1 1 68 5  0  o 0.443061 0.303275  -0.382864    0.806934 -0.382864    0.806934 -0.382864    0.806934 0.354683 0.246308  ?        ?         
1 1 1 68 5  1  o 2.72721  0.115261  7.49619      0.628681 6.73657      0.894293 8.23839      0.883974 2.57255  0.173815  2.85001  0.155083  
1 1 1 68 5  2  o 1.01116  0.278192  1.10411      0.579948 1.93158      0.825369 0.297166     0.815068 1.3261   0.315378  0.789478 0.323469  
1 1 1 68 5  3  o 2.34864  0.124724  5.56762      0.585865 5.52259      0.868452 5.60523      0.793667 2.32572  0.186706  2.34741  0.169052  
1 1 1 68 5  4  o 0.513433 0.235444  -0.369712    0.552124 -0.810349    0.817305 0.000179283  0.748825 0.579527 0.272431  0.691676 0.298054  
1 1 1 68 5  5  o 1.84514  0.164201  3.46118      0.605947 1.85205      0.897084 4.81138      0.821743 1.29116  0.341923  2.1694   0.189394  
1 1 1 68 5  6  o 1.36324  0.208749  1.90946      0.569153 2.42981      0.831185 1.45008      0.780967 1.49812  0.287673  1.1486   0.325232  
1 1 1 68 5  7  o 1.46655  0.193988  2.2033       0.568987 0.896616     0.78834  3.62415      0.822057 0.952348 0.333922  1.87453  0.219271  
1 1 1 68 5  8  o 6.19073  0.083355  38.5041      1.03206  39.254       1.44953  37.7332      1.46978  6.23704  0.116204  6.11308  0.120216  
1 1 1 68 5  9  f 0.647893 0.272728  0.101394     0.602137 0.224078     0.833884 -0.0322659   0.870389 0.774046 0.323121  0.732068 0.318466  
1 1 1 68 5  10 o 2.38438  0.134454  5.7619       0.641179 6.02206      0.896082 5.48895      0.917838 2.42341  0.18488   2.30922  0.198733  
1 1 1 68 5  11 o 4.11379  0.097904  17.0457      0.805512 17.0951      1.11365  16.9914      1.16652  4.10623  0.135605  4.09079  0.142579  
1 1 1 68 5  12 o 3.82415  0.0985819 14.7328      0.753984 13.7436      1.03475  15.8526      1.10091  3.67948  0.140611  3.95227  0.139276  
1 1 1 68 5  13 o 2.29262  0.146903  5.34751      0.673585 5.66686      0.959301 5.03694      0.946024 2.34128  0.204867  2.20381  0.214634  
1 1 1 68 5  14 o 3.05531  0.129105  9.47121      0.788909 9.42297      1.0693   9.52884      1.16868  3.02872  0.176527  3.03816  0.192333  
1 1 1 68 5  15 o 2.96796  0.12438   8.93251      0.738312 8.29971      1.04683  9.55882      1.04145  2.83735  0.184473  3.0516   0.170641  
1 1 1 68 5  16 o 0.678768 0.286729  0.140502     0.669408 0.239164     0.969976 0.0507786    0.924997 0.80881  0.34357   0.756006 0.328582  
1 1 1 68 5  17 o 1.00058  0.306331  1.13112      0.670426 1.73668      0.93477  0.489675     0.962072 1.21139  0.3599    0.855108 0.351074  
1 1 1 68 5  18 o 2.65012  0.145694  7.20752      0.772215 7.7386       1.07868  6.64922      1.10599  2.71649  0.198543  2.50429  0.220818  
1 1 1 68 5  19 o 1.15593  0.303097  1.55213      0.70933  0.864706     0.993393 2.26722      1.01319  0.941795 0.366577  1.36402  0.364365  
1 1 1 68 5  20 o 1.64756  0.237495  2.94479      0.782573 3.48388      1.04563  2.25829      1.17996  1.72614  0.314527  1.31981  0.406872  
1 1 1 68 5  21 o 1.67634  0.240206  3.08812      0.805336 3.2007       1.07014  2.94111      1.22292  1.61422  0.341924  1.49028  0.401309  
1 1 1 68 5  22 o 0.915129 0.329819  0.974475     0.773797 0.504744     1.07776  1.47422      1.11166  0.845717 0.360786  1.07063  0.394382  
1 1 1 68 5  23 o 1.21965  0.326114  1.88948      0.811139 2.48412      1.15819  1.31703      1.13637  1.32704  0.401902  1.01093  0.392362  
1 1 1 68 5  24 o 0.646936 0.29694   -0.177943    0.880473 -1.79562     1.22227  1.56693      1.26942  0.584172 0.288162  1.0341   0.411074  
1 1 1 68 5  25 o 1.26145  0.389468  2.40057      1.08062  2.00793      1.44304  2.90188      1.63055  1.09164  0.436808  1.24266  0.473055  
1 1 1 68 5  26 o 0.783953 0.344854  0.663842     1.04409  0.690901     1.38556  0.628288     1.58824  0.821451 0.375137  0.829003 0.387548  
1 1 1 68 5  27 o 0.684693 0.313589  0.245828     0.976072 0.039202     1.51938  0.391023     1.27365  0.733922 0.353053  0.742843 0.347184  
1 1 1 68 5  28 o 0.544124 0.266485  -0.909068    0.978348 -0.425941    1.57983  -1.2096      1.24603  0.691993 0.33884   0.583108 0.288432  
1 1 1 68 6  0  o 2.20567  0.193627  5.03075      0.839012 5.03075      0.839012 5.03075      0.839012 2.22472  0.134461  ?        ?         
1 1 1 68 6  1  o 4.36401  0.0830427 19.1256      0.724797 19.6174      1.0321   18.6471      1.01808  4.41038  0.117008  4.2995   0.118396  
1 1 1 68 6  2  o 1.21292  0.235691  1.5687       0.551346 1.75648      0.798337 1.39746      0.762349 1.26231  0.316518  1.12939  0.321827  
1 1 1 68 6  3  o 0.653619 0.265375  0.208153     0.543591 0.0982773    0.792234 0.305904     0.747246 0.731399 0.310588  0.765057 0.310965  
1 1 1 68 6  4  o 1.14786  0.246743  1.4176       0.55018  0.987718     0.806933 1.79105      0.752101 0.986656 0.338608  1.27834  0.299166  
1 1 1 68 6  5  o 1.59595  0.185811  2.60418      0.593093 2.6956       0.861472 2.5218       0.817754 1.58019  0.282807  1.52924  0.277606  
1 1 1 68 6  6  o 2.82553  0.112757  8.05126      0.637195 8.22009      0.926615 7.89981      0.877639 2.84197  0.163024  2.7877   0.157413  
1 1 1 68 6  7  o 3.35966  0.100137  11.3657      0.672855 10.8567      0.945507 11.8879      0.957731 3.27141  0.144511  3.4248   0.139823  
1 1 1 68 6  8  o 1.62564  0.191127  2.71281      0.621404 2.11945      0.878846 3.30605      0.878751 1.37933  0.323777  1.7794   0.246924  
1 1 1 68 6  9  o 2.37882  0.146586  5.74973      0.697402 5.58375      1.0536   5.87916      0.930403 2.31878  0.227188  2.39118  0.194549  
1 1 1 68 6  10 o 0.763586 0.295452  0.443685     0.643317 0.416284     1.04437  0.46044      0.816644 0.884207 0.364865  0.825276 0.329193  
1 1 1 68 6  11 o 0.865757 0.303822  0.737737     0.652743 1.86614      1.06024  0.0489777    0.828337 1.27966  0.383929  0.729991 0.314008  
1 1 1 68 6  12 o 2.62671  0.141137  7.01006      0.741455 6.39162      1.10841  7.51092      0.99749  2.47889  0.22357   2.70391  0.184453  
1 1 1 68 6  13 o 3.45494  0.118238  12.0826      0.817011 12.1002      1.18408  12.0666      1.12876  3.4343   0.172391  3.43347  0.164375  
1 1 1 68 6  14 o 0.439501 0.216474  -1.33892     0.671174 -1.96275     1.01402  -0.85252     0.895381 0.538786 0.265365  0.602541 0.283801  
1 1 1 68 6  15 o 2.87232  0.127531  8.38633      0.732622 7.33374      1.01495  9.53138      1.05859  2.65978  0.190797  3.04126  0.174038  
1 1 1 68 6  16 o 0.985286 0.301614  1.09036      0.649962 0.394774     0.905662 1.82909      0.933332 0.818792 0.338944  1.24375  0.356632  
1 1 1 68 6  17 o 1.07526  0.305627  1.32949      0.688376 1.44136      0.953523 1.20773      0.99481  1.11001  0.368135  1.04253  0.374141  
1 1 1 68 6  18 o 0.699933 0.295611  0.189561     0.711286 0.679498     0.951883 -0.429882    1.07032  0.890334 0.355325  0.715831 0.328071  
1 1 1 68 6  19 o 1.08153  0.318391  1.37957      0.734405 1.6864       0.994491 1.01154      1.08917  1.17027  0.375558  0.9861   0.383837  
1 1 1 68 6  20 o 0.610276 0.278368  -0.292505    0.759385 -0.368174    1.01365  -0.195713    1.14643  0.692388 0.318139  0.758588 0.344944  
1 1 1 68 6  21 o 1.47982  0.282156  2.56073      0.805098 1.82744      1.05768  3.57094      1.24143  1.1757   0.387719  1.65928  0.381784  
1 1 1 68 6  22 o 0.715331 0.305346  0.259172     0.7728   0.381315     1.08033  0.131171     1.10593  0.818813 0.355478  0.781692 0.34823   
1 1 1 68 6  23 o 0.639829 0.294014  -0.229985    0.865945 -1.08887     1.32466  0.410945     1.1443   0.674243 0.325633  0.815544 0.35972   
1 1 1 68 6  24 o 0.940958 0.364826  1.20324      0.98194  0.604262     1.31542  1.95707      1.4757   0.851312 0.379498  1.08651  0.438821  
1 1 1 68 6  25 o 1.27294  0.38546   2.45793      1.06541  2.93639      1.60473  2.08078      1.42472  1.23756  0.469825  1.09434  0.435346  
1 1 1 68 6  26 o 0.613582 0.293294  -0.424364    1.00759  0.172767     1.48932  -0.928366    1.36826  0.758588 0.360805  0.645971 0.316078  
1 1 1 68 6  27 o 0.964486 0.36984   1.60496      1.00261  2.50269      1.62558  1.05379      1.27373  1.03292  0.441946  0.838179 0.373545  
1 1 1 68 6  28 o 0.809462 0.349367  1.25415      1.03199  -0.619862    1.68276  2.38386      1.30654  0.652038 0.324662  0.963349 0.403448  
1 1 1 68 7  0  o 3.04911  0.141223  9.4164       0.856999 9.4164       0.856999 9.4164       0.856999 3.0589   0.0992906 ?        ?         
1 1 1 68 7  1  o 1.51196  0.188333  2.33879      0.569503 3.08982      0.823268 1.64961      0.788645 1.72595  0.238496  1.22168  0.319251  
1 1 1 68 7  2  o 1.78381  0.158069  3.23407      0.563928 3.95402      0.813017 2.56652      0.782868 1.96092  0.207305  1.57024  0.249283  
1 1 1 68 7  3  o 3.82976  0.09175   14.7489      0.702761 14.5659      1.02353  14.9122      0.966616 3.79365  0.134901  3.84146  0.125813  
1 1 1 68 7  4  o 5.47022  0.0788965 30.049       0.863162 29.0576      1.20531  31.0926      1.23668  5.36771  0.112274  5.55288  0.111355  
1 1 1 68 7  5  o 2.85536  0.109725  8.2212       0.626606 8.0053       0.889374 8.434        0.882969 2.80502  0.158533  2.88076  0.153253  
1 1 1 68 7  6  f 2.36921  0.13162   5.68307      0.62367  5.70056      0.866387 5.66426      0.898493 2.35923  0.183617  2.34936  0.191221  
1 1 1 68 7  7  o 1.51663  0.203569  2.37116      0.61748  3.23488      0.938094 1.71085      0.820225 1.75262  0.267627  1.23725  0.326629  
1 1 1 68 7  8  o 3.88061  0.100926  15.1744      0.783313 13.7529      1.13567  16.4643      1.08183  3.67572  0.154483  4.03048  0.134206  
1 1 1 68 7  9  o 4.39822  0.0957305 19.4789      0.842088 19.427       1.27641  19.5189      1.12054  4.37236  0.145964  4.39094  0.127597  
1 1 1 68 7  10 o 4.19856  0.0975369 17.7566      0.819028 18.1023      1.27072  17.5109      1.07123  4.21807  0.150628  4.15817  0.12881   
1 1 1 68 7  11 o 1.73701  0.19336   3.10854      0.671736 2.73954      1.04564  3.36784      0.876536 1.55604  0.345108  1.79232  0.244525  
1 1 1 68 7  12 f 3.30716  0.111118  11.0555      0.734971 10.8371      1.02559  11.286       1.05379  3.25694  0.157447  3.32324  0.158549  
1 1 1 68 7  13 o 1.48021  0.229918  2.2935       0.680655 1.81804      1.0415   2.64796      0.89927  1.25401  0.381386  1.54473  0.301844  
1 1 1 68 7  14 o 3.00198  0.127585  9.15784      0.766015 8.95322      1.16559  9.3134       1.01631  2.93551  0.198532  3.00964  0.168842  
1 1 1 68 7  15 o 2.44582  0.147165  6.12525      0.719875 5.38995      1.07118  6.73085      0.972129 2.25207  0.237821  2.54339  0.191109  
1 1 1 68 7  16 o 0.538608 0.252502  -0.578952    0.687403 -0.617953    0.994934 -0.543331    0.950834 0.665628 0.309447  0.659293 0.304964  
1 1 1 68 7  17 o 2.01206  0.180799  4.2148       0.727556 3.98163      0.993165 4.48485      1.06884  1.91587  0.259194  2.03091  0.263143  
1 1 1 68 7  18 o 0.938536 0.315503  0.988887     0.700363 1.25644      0.976128 0.705018     1.00545  1.04364  0.371002  0.90267  0.363189  
1 1 1 68 7  19 o 2.95396  0.143698  9.00483      0.848953 8.41989      1.1452   9.71845      1.26491  2.81278  0.203571  3.01637  0.209673  
1 1 1 68 7  20 o 0.692171 0.298089  0.16606      0.748145 0.10588      1.00187  0.24192      1.12484  0.75858  0.335333  0.814235 0.358059  
1 1 1 68 7  21 o 1.1721   0.327163  1.71439      0.795825 1.20238      1.09365  2.29064      1.16023  0.999078 0.385503  1.29247  0.404471  
1 1 1 68 7  22 o 0.609224 0.28122   -0.315887    0.803113 -1.11557     1.17754  0.379601     1.09815  0.637332 0.307619  0.810769 0.355175  
1 1 1 68 7  23 o 0.615619 0.290714  -0.55913     0.951344 0.00763728   1.51156  -0.930902    1.22423  0.813259 0.379368  0.655352 0.31566   
1 1 1 68 7  24 o 0.723762 0.328817  0.106741     1.03669  -0.121442    1.45815  0.339963     1.47417  0.77721  0.36497   0.831872 0.382829  
1 1 1 68 7  25 o 0.687379 0.313325  0.150439     0.958537 -0.573929    1.51471  0.634277     1.23794  0.711261 0.344318  0.803017 0.362642  
1 1 1 68 7  26 o 1.34198  0.378783  2.9802       1.06096  2.41267      1.61079  3.41508      1.41002  1.01354  0.43695   1.27327  0.446568  
1 1 1 68 7  27 o 0.848448 0.360822  1.20064      1.07202  0.270725     1.60914  1.94273      1.43748  0.752544 0.362333  0.945776 0.410315  
1 1 1 68 8  0  o 5.16565  0.110554  26.8338      1.14099  26.8338      1.14099  26.8338      1.14099  5.17291  0.0780232 ?        ?         
1 1 1 68 8  1  o 3.00302  0.102165  9.0838       0.613607 8.97118      0.860192 9.20047      0.875555 2.97359  0.144638  3.01113  0.145386  
1 1 1 68 8  2  o 1.27939  0.235922  1.74914      0.581016 1.22629      0.861487 2.18539      0.786927 1.06954  0.349918  1.41526  0.288015  
1 1 1 68 8  3  o 2.49922  0.122753  6.31344      0.613571 5.98603      0.872175 6.63425      0.863334 2.41872  0.180297  2.54974  0.169298  
1 1 1 68 8  4  o 0.945677 0.278819  0.964749     0.562788 0.731506     0.794086 1.20014      0.797731 0.897891 0.332855  1.05326  0.336194  
1 1 1 68 8  5  o 0.424072 0.206867  -1.00845     0.572868 -0.508151    0.778775 -1.59839     0.84567  0.604001 0.278084  0.500962 0.246073  
1 1 1 68 8  6  o 1.79734  0.180099  3.30905      0.647397 3.25537      0.984906 3.34988      0.859059 1.75321  0.280887  1.79212  0.239677  
1 1 1 68 8  7  o 1.6374   0.185534  2.75085      0.607586 2.63586      0.951208 2.8301       0.789674 1.54114  0.319354  1.64686  0.239751  
1 1 1 68 8  8  f 1.42908  0.214853  2.11417      0.614083 3.09198      0.953394 1.42088      0.802786 1.70834  0.27904   1.13103  0.332858  
1 1 1 68 8  9  o 2.06285  0.148838  4.32797      0.614061 4.95516      0.890243 3.75873      0.848114 2.19142  0.20312   1.90263  0.222879  
1 1 1 68 8  10 o 0.671512 0.275862  0.20796      0.594363 0.689032     0.859116 -0.233677    0.82315  0.896113 0.342721  0.669512 0.299281  
1 1 1 68 8  11 o 3.27119  0.107321  10.8086      0.702136 12.4471      1.02186  9.34308      0.966405 3.49557  0.146164  3.02309  0.159837  
1 1 1 68 8  12 o 2.28134  0.145643  5.30222      0.664523 5.65993      0.918007 4.90845      0.963173 2.33941  0.196205  2.16852  0.222081  
1 1 1 68 8  13 o 1.12012  0.28384   1.40406      0.636945 1.71729      0.91408  1.10842      0.888038 1.21831  0.35411   1.01677  0.354608  
1 1 1 68 8  14 o 2.33452  0.149     5.58211      0.695688 4.20133      1.02105  6.77853      0.950443 1.97895  0.257978  2.55568  0.185947  
1 1 1 68 8  15 o 1.49525  0.225333  2.37044      0.673859 3.7165       0.93454  0.912636     0.972558 1.85957  0.251278  0.960195 0.365397  
1 1 1 68 8  16 o 1.17054  0.309455  1.58809      0.735587 1.54567      1.05301  1.62851      1.028    1.14091  0.386863  1.16568  0.382241  
1 1 1 68 8  17 o 0.756535 0.306087  0.403049     0.71975  1.54045      1.02243  -0.71434     1.01339  1.13164  0.381204  0.654534 0.306801  
1 1 1 68 8  18 o 0.943404 0.324853  1.01051      0.743241 0.020838     1.07457  1.91822      1.02911  0.777793 0.345112  1.23519  0.37981   
1 1 1 68 8  19 o 1.83596  0.205488  3.60996      0.754536 3.78638      1.00727  3.3844       1.13897  1.8322   0.274881  1.65164  0.354998  
1 1 1 68 8  20 o 1.42298  0.281226  2.3732       0.771874 1.71726      1.01092  3.29022      1.19529  1.14551  0.379053  1.5891   0.380549  
1 1 1 68 8  21 o 1.70138  0.245646  3.24398      0.835876 4.29654      1.2162   2.30169      1.15073  1.85597  0.340341  1.28671  0.402841  
1 1 1 68 8  22 o 0.587442 0.275665  -0.47821     0.826618 -0.638521    1.20075  -0.333793    1.13967  0.684501 0.324809  0.703721 0.328712  
1 1 1 68 8  23 f 0.659808 0.307649  -0.276669    0.992676 0.035394     1.37812  -0.613178    1.43109  0.785352 0.364755  0.727705 0.348251  
1 1 1 68 8  24 o 1.94581  0.266829  4.58139      1.0384   6.46125      1.65102  3.35112      1.33564  2.07628  0.412241  1.42587  0.431547  
1 1 1 68 8  25 o 0.903526 0.358633  1.2973       0.964873 3.05553      1.52069  0.112445     1.24834  1.18006  0.454734  0.721775 0.338713  
1 1 1 68 8  26 o 0.653343 0.305533  -0.0128488   0.98819  0.967313     1.58711  -0.633406    1.26284  0.833952 0.388909  0.642403 0.311902  
1 1 1 68 8  27 o 0.559768 0.274269  -0.72355     1.03939  -2.3198      1.54266  0.603516     1.40658  0.558025 0.282118  0.726773 0.347193  
1 1 1 68 9  0  o 2.36689  0.191209  5.78521      0.891554 5.78521      0.891554 5.78521      0.891554 2.3865   0.133027  ?        ?         
1 1 1 68 9  1  o 3.12011  0.101248  9.80954      0.63181  10.7086      0.906442 8.96001      0.881126 3.24896  0.139497  2.96911  0.148382  
1 1 1 68 9  2  o 0.957535 0.284934  0.990904     0.585592 1.73939      0.864389 0.355978     0.79612  1.24479  0.338378  0.791181 0.321178  
1 1 1 68 9  3  o 1.31379  0.215094  1.78593      0.565178 2.61898      0.780641 0.868274     0.819326 1.5827   0.246616  0.94481  0.339495  
1 1 1 68 9  4  o 1.29918  0.23246   1.80397      0.582191 1.32595      0.78358  2.39303      0.869845 1.09656  0.330273  1.47265  0.305563  
1 1 1 68 9  5  o 1.48907  0.21316   2.29358      0.63482  1.65155      0.938153 2.83585      0.86219  1.21198  0.360648  1.64165  0.262598  
1 1 1 68 9  6  o 3.96449  0.0969284 15.8297      0.768544 16.4777      1.19412  15.3714      1.00416  4.02564  0.148314  3.89604  0.12887   
1 1 1 68 9  7  o 1.40051  0.22283   2.03621      0.624154 3.30065      1.01648  1.27092      0.790792 1.76127  0.288563  1.0757   0.333383  
1 1 1 68 9  8  o 3.03578  0.107312  9.30011      0.651549 9.68366      0.950421 8.96003      0.894937 3.08294  0.154142  2.96668  0.150831  
1 1 1 68 9  9  o 3.11236  0.107193  9.7813       0.667246 10.8781      0.95391  8.73051      0.933672 3.26887  0.145908  2.92335  0.159692  
1 1 1 68 9  10 o 2.98629  0.111467  9.01522      0.665745 8.75249      0.956411 9.26218      0.927277 2.92437  0.163524  3.01225  0.153918  
1 1 1 68 9  11 o 1.99514  0.157579  4.06914      0.628784 4.62552      0.897425 3.53261      0.881265 2.10823  0.212839  1.83253  0.24045   
1 1 1 68 9  12 o 4.14893  0.10186   17.3911      0.845224 15.5601      1.20447  19.1675      1.18639  3.89894  0.154461  4.33818  0.136738  
1 1 1 68 9  13 o 3.06885  0.116558  9.55715      0.715397 9.26621      1.04046  9.81803      0.985243 2.99519  0.173689  3.09086  0.15938   
1 1 1 68 9  14 o 1.01632  0.305694  1.17306      0.671594 0.497193     0.931193 1.90571      0.969522 0.847459 0.346237  1.26305  0.36391   
1 1 1 68 9  15 o 0.695525 0.28911   0.23598      0.663192 1.08128      0.920477 -0.676478    0.956341 0.996925 0.359681  0.641071 0.300051  
1 1 1 68 9  16 o 2.9142   0.128957  8.67808      0.751615 9.71053      1.03265  7.51493      1.09607  3.05924  0.168776  2.66811  0.205401  
1 1 1 68 9  17 o 0.700905 0.291672  0.26274      0.676168 -0.304626    0.917667 0.93667      1.00014  0.674669 0.307273  0.953521 0.368502  
1 1 1 68 9  18 o 0.642772 0.287385  -0.112796    0.75935  -1.23146     1.09392  0.927485     1.0549   0.616189 0.297187  0.947854 0.375381  
1 1 1 68 9  19 o 1.54518  0.256141  2.67401      0.791568 1.32674      1.10258  4.10701      1.13711  1.0362   0.390593  1.8751   0.303214  
1 1 1 68 9  20 o 0.874835 0.333171  0.839234     0.809088 -0.694059    1.13508  2.42293      1.15359  0.677506 0.319236  1.33018  0.400754  
1 1 1 68 9  21 o 1.26562  0.345627  2.11062      0.899272 2.89153      1.27541  1.33858      1.26814  1.39937  0.42134   1.00922  0.407128  
1 1 1 68 9  22 o 0.638318 0.299615  -0.432135    0.97874  -1.62551     1.37405  0.796964     1.39447  0.635278 0.312569  0.89549  0.395766  
1 1 1 68 9  23 o 0.786291 0.337747  0.558865     0.955953 -1.03867     1.49144  1.67282      1.24542  0.698949 0.339231  1.03569  0.408596  
1 1 1 68 9  24 o 1.01144  0.370903  1.66759      0.982285 1.92454      1.54406  1.49289      1.27314  0.995128 0.428395  0.941094 0.39638   
1 1 1 68 9  25 o 1.07506  0.374423  2.01185      0.989766 0.798976     1.51635  2.91221      1.30647  0.808275 0.378176  1.1961   0.42881   
1 1 1 68 9  26 o 0.817361 0.35221   1.0306       1.04565  2.82185      1.62497  -0.235313    1.36606  1.05477  0.446206  0.683699 0.330282  
1 1 1 68 10 0  f 0.83427  0.418896  1.0974       0.850182 1.0974       0.850182 1.0974       0.850182 0.87362  0.353519  ?        ?         
1 1 1 68 10 1  o 2.32479  0.138715  5.48348      0.644968 5.5346       0.911075 5.43213      0.913172 2.31885  0.19645   2.29649  0.198819  
1 1 1 68 10 2  o 1.66992  0.182663  2.85928      0.610064 2.91336      0.878015 2.80881      0.848277 1.66337  0.263927  1.63463  0.259471  
1 1 1 68 10 3  o 6.46041  0.0836483 41.9594      1.0808   41.5581      1.4182   42.5153      1.66928  6.41674  0.110508  6.4795   0.128813  
1 1 1 68 10 4  o 1.37839  0.208233  1.96296      0.574051 1.24514      0.762112 2.90433      0.872749 1.06515  0.32671   1.66087  0.262739  
1 1 1 68 10 5  o 3.21917  0.10652   10.4535      0.685814 10.1745      1.05921  10.6548      0.899921 3.15572  0.167823  3.2402   0.138868  
1 1 1 68 10 6  o 4.27375  0.0927038 18.3888      0.792386 16.9506      1.20513  19.4842      1.05168  4.08214  0.14761   4.38929  0.119801  
1 1 1 68 10 7  o 1.99679  0.152169  4.06389      0.6077   5.31971      0.906125 3.03731      0.819259 2.26923  0.199654  1.70238  0.240621  
1 1 1 68 10 8  o 2.39263  0.128246  5.80698      0.613692 5.46997      0.884305 6.12009      0.85236  2.30209  0.192066  2.44168  0.174543  
1 1 1 68 10 9  o 6.02155  0.0918718 36.5287      1.10642  35.7847      1.55717  37.2873      1.57237  5.93719  0.131137  6.06154  0.129701  
1 1 1 68 10 10 o 1.5365   0.204887  2.45191      0.629621 3.09694      0.887169 1.79735      0.893703 1.70763  0.259766  1.25153  0.345787  
1 1 1 68 10 11 o 2.03021  0.157424  4.22507      0.639206 4.30826      0.918257 4.14686      0.890336 2.02399  0.226844  1.98691  0.224051  
1 1 1 68 10 12 o 2.42067  0.14281   5.99059      0.691389 4.99996      0.92611  7.23786      1.03917  2.18278  0.21214   2.63466  0.197212  
1 1 1 68 10 13 o 3.02272  0.124669  9.30398      0.75368  8.84527      1.01637  9.86435      1.12337  2.9226   0.173882  3.08113  0.182298  
1 1 1 68 10 14 o 1.62897  0.213894  2.80365      0.696855 3.91944      0.967748 1.60204      1.00427  1.90535  0.253956  1.15889  0.377804  
1 1 1 68 10 15 o 1.49475  0.236757  2.39712      0.707785 1.75555      0.970145 3.12721      1.03491  1.20337  0.368513  1.63773  0.327533  
1 1 1 68 10 16 o 1.06385  0.30012   1.31955      0.66622  0.90504      0.910046 1.79824      0.977973 0.934058 0.354041  1.20758  0.370037  
1 1 1 68 10 17 o 2.84108  0.14022   8.32206      0.796752 7.81818      1.07844  8.92761      1.18226  2.71248  0.198792  2.89379  0.204276  
1 1 1 68 10 18 o 2.35319  0.171337  5.82828      0.806378 6.44465      1.16181  5.25535      1.12012  2.41642  0.240398  2.16621  0.258543  
1 1 1 68 10 19 o 0.940446 0.331233  1.05532      0.776456 0.970332     1.08274  1.14529      1.11408  0.944096 0.378119  0.987323 0.387402  
1 1 1 68 10 20 o 1.0475   0.348193  1.42006      0.853015 1.50655      1.16015  1.31827      1.25854  1.05842  0.400162  1.01679  0.407483  
1 1 1 68 10 21 o 1.22843  0.364213  2.10004      0.957973 3.84986      1.36183  0.385984     1.34784  1.61203  0.418713  0.83785  0.378383  
1 1 1 68 10 22 o 0.709873 0.317882  0.159647     0.932293 0.35423      1.4641   0.0269399    1.20911  0.835388 0.383216  0.751671 0.346243  
1 1 1 68 10 23 o 0.770015 0.331577  0.557386     0.925491 0.48846      1.49065  0.60062      1.18059  0.833749 0.384201  0.813475 0.361241  
1 1 1 68 10 24 o 0.536359 0.263164  -1.06979     0.96263  -0.598646    1.50449  -1.39637     1.25259  0.692928 0.337519  0.586513 0.289892  
1 1 1 68 10 25 o 1.31728  0.383328  2.89808      1.07053  3.39172      1.59592  2.49425      1.44345  1.19832  0.465002  1.06772  0.432858  
1 1 1 68 10 26 o 0.861511 0.361304  1.47566      1.05028  2.85112      1.58222  0.392182     1.40428  0.983636 0.428649  0.707129 0.339982  
1 1 1 68 11 0  o 2.4021   0.190037  5.95568      0.899832 5.95568      0.899832 5.95568      0.899832 2.42164  0.132275  ?        ?         
1 1 1 68 11 1  o 3.46815  0.102841  12.1261      0.713336 11.9632      1.03275  12.2748      0.986463 3.42891  0.150594  3.47664  0.14187   
1 1 1 68 11 2  o 3.7318   0.0950986 14.024       0.709778 14.721       0.953064 13.1559      1.06356  3.81376  0.124951  3.59672  0.147851  
1 1 1 68 11 3  o 2.57852  0.122753  6.72796      0.63304  6.4846       0.86013  7.01556      0.935066 2.51761  0.170823  2.61586  0.17873   
1 1 1 68 11 4  o 2.35024  0.13123   5.60093      0.616845 5.82067      0.91124  5.41508      0.83805  2.37742  0.191645  2.2962   0.182487  
1 1 1 68 11 5  o 2.19459  0.138558  4.89416      0.608158 5.38803      0.899311 4.47799      0.825546 2.28431  0.196845  2.08201  0.198257  
1 1 1 68 11 6  o 1.99737  0.148603  4.06649      0.59363  4.30025      0.838386 3.83145      0.840657 2.03647  0.205843  1.9177   0.219184  
1 1 1 68 11 7  f 2.6487   0.121633  7.10685      0.644337 6.92262      0.95503  7.26079      0.872952 2.59272  0.184175  2.66333  0.163884  
1 1 1 68 11 8  o 2.67918  0.11884   7.26777      0.636786 6.97512      0.904832 7.55493      0.89633  2.60639  0.173579  2.71597  0.165011  
1 1 1 68 11 9  o 2.00782  0.157399  4.12663      0.632059 3.90116      0.887317 4.35889      0.900562 1.92712  0.230219  2.04105  0.220613  
1 1 1 68 11 10 o 3.16403  0.11193   10.1409      0.708298 11.0944      1.00018  9.18157      1.0032   3.29196  0.151912  2.98707  0.167923  
1 1 1 68 11 11 o 0.966238 0.305532  1.03959      0.659997 1.00571      0.886405 1.08174      0.988707 0.977589 0.352936  1.01323  0.37206   
1 1 1 68 11 12 o 2.37606  0.150522  5.79714      0.715297 4.73863      0.932574 7.30978      1.11481  2.11698  0.220261  2.63486  0.211551  
1 1 1 68 11 13 o 3.65767  0.114678  13.5961      0.838905 14.0015      1.09431  13.0184      1.30647  3.6921   0.148196  3.53429  0.184827  
1 1 1 68 11 14 o 1.68243  0.209351  2.99127      0.704437 3.69495      0.963228 2.18218      1.03286  1.8421   0.261449  1.33582  0.372667  
1 1 1 68 11 15 o 1.04056  0.308742  1.262        0.688216 0.51883      0.935774 2.13755      1.0157   0.842162 0.346082  1.31482  0.370454  
1 1 1 68 11 16 o 2.50388  0.150209  6.48899      0.752209 6.06604      1.02734  6.97777      1.10441  2.3782   0.21599   2.55024  0.21653   
1 1 1 68 11 17 o 1.27349  0.306407  1.9463       0.772088 1.35347      1.11453  2.49332      1.07059  1.05003  0.393321  1.38901  0.376135  
1 1 1 68 11 18 o 0.58081  0.270523  -0.446424    0.764923 0.345969     1.10962  -1.16396     1.05591  0.823818 0.358986  0.602805 0.291039  
1 1 1 68 11 19 o 0.965711 0.347361  1.14256      0.857925 1.90736      1.13925  0.14066      1.30393  1.17482  0.402394  0.825041 0.372407  
1 1 1 68 11 20 o 0.680325 0.312519  -0.187943    0.977494 0.869495     1.42424  -1.12961     1.34401  0.927251 0.405356  0.67508  0.326375  
1 1 1 68 11 21 o 0.867346 0.349263  0.911923     0.930902 1.74218      1.48832  0.378386     1.19309  1.04748  0.434112  0.800311 0.358962  
1 1 1 68 11 22 o 0.850503 0.345942  0.879533     0.925467 -0.0711033   1.45613  1.52378      1.19872  0.777964 0.365214  1.00178  0.399075  
1 1 1 68 11 23 o 0.764837 0.333064  0.63375      0.953861 1.19564      1.60328  0.325895     1.18674  0.887514 0.404732  0.747415 0.343762  
1 1 1 68 11 24 o 0.652772 0.30652   -0.0471909   1.02805  0.53068      1.5135   -0.542205    1.4008   0.777911 0.367155  0.669651 0.326091  
1 1 1 68 11 25 o 1.02574  0.38256   1.965        1.05212  1.50184      1.58537  2.32953      1.40648  0.872124 0.399525  1.0147   0.421358  
1 1 1 68 12 0  o 0.595121 0.366859  0.371311     0.832851 0.371311     0.832851 0.371311     0.832851 0.540753 0.320586  ?        ?         
1 1 1 68 12 1  o 4.16867  0.0930751 17.5068      0.776    17.1489      1.11307  17.8453      1.08243  4.10906  0.135441  4.19466  0.129025  
1 1 1 68 12 2  o 2.77769  0.122769  7.81644      0.682028 7.35814      0.904799 8.4195       1.03791  2.67978  0.168819  2.86125  0.181374  
1 1 1 68 12 3  o 2.05259  0.165804  4.31438      0.680654 3.88411      0.971693 4.72891      0.953737 1.91791  0.253321  2.12854  0.224035  
1 1 1 68 12 4  o 1.88823  0.168116  3.65381      0.634885 3.68694      0.897107 3.62056      0.898622 1.87369  0.239396  1.85573  0.242121  
1 1 1 68 12 5  o 0.464798 0.222316  -0.730621    0.581248 -0.383658    0.782348 -1.15809     0.868386 0.623205 0.283802  0.553767 0.266516  
1 1 1 68 12 6  o 2.93957  0.107938  8.7302       0.634583 8.7457       0.881072 8.71349      0.914748 2.92802  0.150455  2.92021  0.156624  
1 1 1 68 12 7  o 2.25591  0.136482  5.17798      0.615784 5.47517      0.865366 4.87314      0.87644  2.30215  0.187948  2.16641  0.202279  
1 1 1 68 12 8  o 3.71418  0.100208  13.9342      0.744381 13.8704      1.03476  14.0026      1.07164  3.68828  0.140277  3.70353  0.144677  
1 1 1 68 12 9  o 1.27826  0.259271  1.8028       0.639731 1.89989      0.838371 1.66746      0.989802 1.28382  0.325834  1.19257  0.373661  
1 1 1 68 12 10 o 1.52294  0.215959  2.4423       0.657783 2.18739      0.858692 2.80431      1.0233   1.37861  0.317738  1.55226  0.338977  
1 1 1 68 12 11 f 1.38475  0.252636  2.11478      0.673728 2.01138      0.893538 2.25102      1.02566  1.30705  0.339012  1.36833  0.367093  
1 1 1 68 12 12 o 1.98648  0.178997  4.10304      0.711146 3.2947       0.94182  5.17519      1.08467  1.73767  0.271     2.19321  0.247278  
1 1 1 68 12 13 o 0.867315 0.309017  0.787073     0.677543 0.523597     0.903368 1.12587      1.02438  0.839961 0.341742  1.01678  0.377828  
1 1 1 68 12 14 f 0.578903 0.263388  -0.276211    0.670495 0.248703     0.892459 -0.95643     1.01594  0.770082 0.328408  0.624207 0.297415  
1 1 1 68 12 15 o 2.68566  0.151875  7.46882      0.815767 8.90326      1.18092  6.15954      1.12822  2.89251  0.204134  2.38112  0.236909  
1 1 1 68 12 16 o 0.814967 0.321043  0.619033     0.767816 0.997777     1.1586   0.322432     1.02529  0.971508 0.39029   0.807318 0.348333  
1 1 1 68 12 17 o 0.637266 0.290235  -0.233048    0.81866  -1.71078     1.07806  1.77993      1.25824  0.562054 0.276645  1.14777  0.41989   
1 1 1 68 12 18 o 1.35117  0.324441  2.26574      0.867002 2.74842      1.17722  1.69359      1.28168  1.42029  0.39839   1.11632  0.421026  
1 1 1 68 12 19 o 0.938264 0.362125  1.0912       0.965156 0.997036     1.43018  1.16995      1.30788  0.955028 0.411726  0.976435 0.405947  
1 1 1 68 12 20 o 0.733192 0.321977  0.288604     0.906999 -0.851       1.3497   1.22699      1.22476  0.692893 0.333179  0.959227 0.395353  
1 1 1 68 12 21 o 0.956481 0.363394  1.27608      0.960638 2.15211      1.60039  0.782675     1.20108  1.10443  0.453013  0.862264 0.374587  
1 1 1 68 12 22 o 0.537443 0.263736  -1.18866     0.967452 0.562642     1.52844  -2.35936     1.24965  0.831603 0.385427  0.538087 0.2692    
1 1 1 68 12 23 o 0.906797 0.363834  1.35588      1.00504  1.83285      1.54367  1.00493      1.32413  0.949098 0.418323  0.835943 0.376414  
1 1 1 68 12 24 o 0.822565 0.353078  0.987618     1.04342  0.353774     1.49791  1.58508      1.45428  0.766545 0.363287  0.91336  0.40385   
1 1 1 68 12 25 o 0.83306  0.35547   1.38306      1.04666  3.37013      1.62182  -0.0352701   1.3702   1.03124  0.441337  0.659838 0.321526  
1 1 1 68 13 0  f 0.519324 0.349844  -0.25577     1.00797  -0.25577     1.00797  -0.25577     1.00797  0.42781  0.290204  ?        ?         
1 1 1 68 13 1  o 5.98365  0.0831661 36.0226      0.995273 34.6343      1.44205  37.2855      1.37537  5.8459   0.123339  6.07184  0.113258  
1 1 1 68 13 2  o 1.68375  0.183383  2.91926      0.617541 3.20006      0.852766 2.60964      0.895467 1.74326  0.24459   1.53292  0.302857  
1 1 1 68 13 3  o 2.78236  0.121588  7.84358      0.676605 7.20602      1.01183  8.35926      0.909983 2.64143  0.19153   2.85904  0.159141  
1 1 1 68 13 4  o 0.746878 0.283821  0.464418     0.586096 0.474467     0.78681  0.451891     0.878477 0.812785 0.323465  0.83415  0.337883  
1 1 1 68 13 5  o 1.53562  0.193837  2.44292      0.595322 2.19338      0.797241 2.75744      0.895046 1.40228  0.293715  1.5763   0.294833  
1 1 1 68 13 6  o 3.63751  0.099589  13.3636      0.724511 13.9736      0.993244 12.67        1.05916  3.70498  0.134042  3.51986  0.150454  
1 1 1 68 13 7  o 1.83629  0.17749   3.48401      0.651848 3.34868      0.831686 3.69954      1.04958  1.77955  0.233679  1.84658  0.284196  
1 1 1 68 13 8  o 3.99281  0.0982474 16.1136      0.784567 16.9484      1.00245  14.794       1.26042  4.08264  0.12277   3.78824  0.16636   
1 1 1 68 13 9  o 1.79968  0.17249   3.35112      0.620854 2.94013      0.777597 4.07385      1.03116  1.6625   0.233864  1.94009  0.26575   
1 1 1 68 13 10 o 1.16913  0.265885  1.53455      0.607842 1.70049      0.75187  1.22147      1.03273  1.21316  0.308967  1.05023  0.380777  
1 1 1 68 13 11 o 0.932727 0.304061  0.968305     0.650485 1.40311      0.852273 0.361579     1.00676  1.09463  0.347305  0.834089 0.351952  
1 1 1 68 13 12 o 0.997738 0.305075  1.14128      0.665226 1.34781      0.859836 0.833332     1.04993  1.0722   0.349582  0.945395 0.374467  
1 1 1 68 13 13 o 1.3658   0.275109  2.1179       0.725107 2.03525      0.90108  2.26974      1.2214   1.29914  0.342065  1.32725  0.414925  
1 1 1 68 13 14 o 0.498625 0.242914  -1.19076     0.780436 -1.0639      1.05944  -1.34129     1.15403  0.624521 0.299055  0.628891 0.303765  
1 1 1 68 13 15 f 1.08375  0.342493  1.44597      0.829426 1.58611      1.13119  1.283        1.21979  1.1147   0.399071  1.04196  0.406074  
1 1 1 68 13 16 o 1.06014  0.348865  1.40885      0.856312 1.46341      1.18893  1.35004      1.23436  1.07147  0.405095  1.04598  0.408318  
1 1 1 68 13 17 o 1.53016  0.298484  2.79652      0.880867 3.65375      1.25518  1.96462      1.23649  1.66796  0.383967  1.18749  0.418021  
1 1 1 68 13 18 o 1.89759  0.228919  4.01645      0.86879  3.54657      1.3054   4.39007      1.16403  1.58502  0.409129  1.90885  0.304903  
1 1 1 68 13 19 o 2.28566  0.216277  5.84175      0.988669 7.06479      1.51974  4.94434      1.3018   2.3689   0.320769  1.93931  0.348288  
1 1 1 68 13 20 o 1.28683  0.351728  2.30415      0.930799 2.02193      1.36937  2.54653      1.26904  1.10639  0.430444  1.25285  0.424698  
1 1 1 68 13 21 o 0.673223 0.311569  -0.119049    0.994117 0.237639     1.59559  -0.345355    1.27094  0.822724 0.385518  0.709257 0.335427  
1 1 1 68 13 22 o 0.692494 0.315149  0.234766     0.961248 -1.09508     1.41586  1.37182      1.30921  0.644506 0.317167  0.904199 0.391919  
1 1 1 68 13 23 o 0.757971 0.334712  0.667898     0.994622 2.82206      1.52632  -0.921975    1.31126  1.10153  0.445708  0.626876 0.307438  
1 1 1 68 13 24 o 0.695157 0.32151   0.335879     1.05635  -0.432666    1.52268  1.04896      1.4667   0.679283 0.332625  0.808081 0.37569   
1 1 1 68 14 0  o 1.6754   0.309773  3.18282      0.931997 3.18282      0.931997 3.18282      0.931997 1.73699  0.195329  ?        ?         
1 1 1 68 14 1  o 2.17977  0.149577  4.85562      0.65209  5.54937      0.928315 4.17986      0.916194 2.31066  0.200877  1.99376  0.229766  
1 1 1 68 14 2  o 3.63798  0.106766  13.3849      0.776829 12.6624      1.10713  14.0855      1.09027  3.51561  0.157459  3.71373  0.146789  
1 1 1 68 14 3  o 2.296    0.136916  5.37211      0.628717 5.23755      0.931375 5.48477      0.852175 2.24022  0.207876  2.30249  0.185055  
1 1 1 68 14 4  o 2.23155  0.135673  5.07527      0.605522 5.52355      0.851913 4.61756      0.860831 2.30986  0.184408  2.10368  0.204601  
1 1 1 68 14 5  o 1.77506  0.174073  3.25338      0.617981 2.92437      0.828445 3.66612      0.9279   1.65535  0.250233  1.85339  0.250325  
1 1 1 68 14 6  o 2.38261  0.145415  5.81089      0.692935 6.27466      0.879035 5.0497       1.12617  2.4613   0.178571  2.16658  0.259896  
1 1 1 68 14 7  o 2.70478  0.13151   7.46222      0.71141  7.42303      0.893805 7.52996      1.17514  2.68172  0.166648  2.67019  0.220048  
1 1 1 68 14 8  o 0.889942 0.303583  0.850848     0.648443 1.95689      0.809223 -1.13352     1.08391  1.30083  0.314132  0.636394 0.304199  
1 1 1 68 14 9  o 0.839834 0.299679  0.721577     0.637426 0.476029     0.779065 1.21886      1.10868  0.797977 0.320264  1.05574  0.392914  
1 1 1 68 14 10 o 0.925317 0.297031  0.955551     0.622057 1.24467      0.743409 0.2804       1.13604  1.03834  0.32353   0.852043 0.367136  
1 1 1 68 14 11 o 1.12828  0.273725  1.4492       0.612251 0.567486     0.72399  3.6628       1.14714  0.804533 0.312989  1.76617  0.336843  
1 1 1 68 14 12 o 1.77104  0.255353  3.42901      0.904478 3.71032      1.2358   3.10449      1.32735  1.74593  0.365678  1.54776  0.418679  
1 1 1 68 14 13 o 0.868616 0.335915  0.741736     0.831367 0.711251     1.14726  0.775446     1.20643  0.920783 0.381344  0.944202 0.391049  
1 1 1 68 14 14 o 1.37798  0.322392  2.29787      0.873612 2.43157      1.23522  2.16406      1.23573  1.34023  0.416923  1.26507  0.419086  
1 1 1 68 14 15 o 0.631611 0.292248  -0.400446    0.87405  0.266891     1.26522  -1.00969     1.20889  0.846318 0.375128  0.669669 0.320381  
1 1 1 68 14 16 o 0.51242  0.248667  -1.08397     0.800926 -0.221461    1.23574  -1.70874     1.05174  0.765136 0.35144   0.551441 0.271618  
1 1 1 68 14 17 o 2.87532  0.158212  8.71042      0.909824 9.086        1.35172  8.39932      1.23022  2.84732  0.237367  2.75474  0.22329   
1 1 1 68 14 18 o 2.1156   0.211223  4.96805      0.89373  3.53016      1.39661  5.96523      1.16305  1.51181  0.437156  2.26586  0.256647  
1 1 1 68 14 19 o 2.89413  0.177129  9.09138      1.02527  8.96094      1.49441  9.20737      1.40924  2.72982  0.27372   2.80454  0.251243  
1 1 1 68 14 20 o 1.14334  0.365764  1.91637      0.943841 0.981263     1.36576  2.77123      1.30584  0.902692 0.395764  1.2871   0.430811  
1 1 1 68 14 21 o 0.712414 0.322914  0.3009       0.990547 0.441161     1.49605  0.191414     1.32177  0.79692  0.373404  0.749779 0.351256  
1 1 1 68 14 22 o 1.00734  0.371853  1.77035      0.988964 1.37634      1.48716  2.08273      1.32419  0.877456 0.3968    1.00685  0.412376  
1 1 1 68 14 23 o 0.67923  0.313044  0.203697     0.990105 0.83442      1.50311  -0.279719    1.31593  0.806657 0.37707   0.677039 0.326392  
1 1 1 68 14 24 o 0.644818 0.303336  0.21704      1.01672  -0.171954    1.49174  0.554506     1.38943  0.657833 0.324031  0.708145 0.339912  
1 1 1 68 15 0  o 1.01127  0.440257  1.57935      0.916004 1.57935      0.916004 1.57935      0.916004 1.10813  0.335624  ?        ?         
1 1 1 68 15 1  o 1.6265   0.189181  2.74933      0.615407 2.22884      0.855451 3.30763      0.885987 1.3962   0.313983  1.75841  0.251928  
1 1 1 68 15 2  o 1.29655  0.258972  1.85702      0.647784 1.7658       0.952252 1.93559      0.883784 1.22328  0.363213  1.28762  0.338645  
1 1 1 68 15 3  o 0.991059 0.280804  1.10267      0.581993 1.64891      0.813575 0.530193     0.832889 1.19128  0.33023   0.831519 0.332211  
1 1 1 68 15 4  o 2.01358  0.156867  4.16902      0.631728 4.60554      0.860024 3.6575       0.930987 2.09588  0.20517   1.84611  0.252148  
1 1 1 68 15 5  o 0.564453 0.254509  -0.217177    0.607388 0.109234     0.793789 -0.678236    0.943411 0.715375 0.307544  0.637746 0.298352  
1 1 1 68 15 6  o 1.46225  0.207163  2.24906      0.605847 2.07547      0.766579 2.53789      0.988835 1.35152  0.291891  1.46858  0.34261   
1 1 1 68 15 7  f 2.35263  0.143864  5.67586      0.676918 5.74689      0.887219 5.57692      1.04715  2.34633  0.189065  2.28918  0.228718  
1 1 1 68 15 8  f 1.84721  0.171584  3.538        0.633902 3.53373      0.804383 3.54499      1.02973  1.82502  0.220377  1.79228  0.287269  
1 1 1 68 15 9  o 1.90512  0.163368  3.75517      0.62247  4.55186      0.794404 2.48801      1.00187  2.08478  0.190524  1.44118  0.350475  
1 1 1 68 15 10 o 1.14029  0.260864  1.46805      0.582292 1.70899      0.710127 0.973578     1.0173   1.21523  0.294778  0.970808 0.372461  
1 1 1 68 15 11 o 0.83952  0.324278  0.665784     0.774284 1.00639      1.15639  0.388988     1.04246  0.992113 0.392988  0.837784 0.356035  
1 1 1 68 15 12 o 2.13296  0.197925  4.82913      0.844331 2.90649      1.21903  6.60194      1.17057  1.49767  0.399487  2.46224  0.237705  
1 1 1 68 15 13 o 1.25611  0.318812  1.91444      0.802602 0.88866      1.20232  2.73897      1.07794  0.953947 0.392198  1.46777  0.367645  
1 1 1 68 15 14 o 1.24544  0.329528  1.92683      0.83368  1.12496      1.28063  2.51659      1.09827  1.00125  0.40705   1.38082  0.383982  
1 1 1 68 15 15 o 0.72867  0.312865  0.251873     0.819694 0.252134     1.27608  0.25169      1.06953  0.841398 0.374465  0.795581 0.349504  
1 1 1 68 15 16 o 0.486214 0.238368  -1.256       0.787068 -2.03569     1.16724  -0.605916    1.06582  0.560938 0.277876  0.659991 0.310503  
1 1 1 68 15 17 o 0.803365 0.327986  0.64213      0.835    1.43203      1.29147  0.0747517    1.09455  1.01625  0.410488  0.748397 0.339322  
1 1 1 68 15 18 o 0.672892 0.308736  -0.111284    0.950814 0.105389     1.49979  -0.256886    1.22946  0.814396 0.379119  0.722533 0.338541  
1 1 1 68 15 19 f 0.682158 0.310414  0.00903853   0.932083 0.887666     1.34401  -0.805102    1.29375  0.890161 0.391419  0.675082 0.325001  
1 1 1 68 15 20 o 0.941106 0.365214  1.3697       0.984491 0.472948     1.44155  2.15354      1.34774  0.807539 0.374288  1.07627  0.42491   
1 1 1 68 15 21 o 1.27807  0.368982  2.62953      0.995748 2.79041      1.51396  2.50688      1.3219   1.11485  0.446864  1.10947  0.424889  
1 1 1 68 15 22 o 0.791079 0.339223  0.836411     0.961455 1.07573      1.4922   0.666532     1.2572   0.845938 0.387562  0.783178 0.357525  
1 1 1 68 15 23 o 0.839361 0.355634  1.31712      1.03488  2.39353      1.65687  0.628569     1.32516  0.921088 0.417559  0.732865 0.345206  
1 1 1 68 16 0  o 2.98052  0.157889  9.08829      0.93515  9.08829      0.93515  9.08829      0.93515  2.99778  0.110632  ?        ?         
1 1 1 68 16 1  o 2.02326  0.159463  4.21788      0.645272 4.37889      0.886105 4.03611      0.941519 2.03597  0.217613  1.94223  0.242381  
1 1 1 68 16 2  o 2.36941  0.141288  5.74896      0.669535 6.54524      0.96348  5.00533      0.931081 2.50341  0.192433  2.17843  0.213705  
1 1 1 68 16 3  o 2.48397  0.128052  6.29328      0.636158 6.98462      0.8555   5.43815      0.951457 2.60059  0.164482  2.27246  0.209345  
1 1 1 68 16 4  o 1.60017  0.193779  2.67853      0.620159 2.31762      0.817365 3.16815      0.952031 1.42697  0.29629   1.70028  0.279963  
1 1 1 68 16 5  o 2.80533  0.121967  8.01504      0.684316 8.3292       0.902348 7.58977      1.04985  2.84199  0.158753  2.69225  0.194976  
1 1 1 68 16 6  o 1.41957  0.220984  2.1388       0.627404 2.38274      0.819411 1.79314      0.975403 1.44738  0.2933    1.21901  0.368756  
1 1 1 68 16 7  o 1.78855  0.178261  3.33034      0.637657 3.6895       0.816949 2.77037      1.02007  1.86358  0.219188  1.52927  0.342139  
1 1 1 68 16 8  o 3.05502  0.114592  9.49741      0.700164 10.1879      0.917135 8.53271      1.08402  3.14719  0.145707  2.85257  0.190008  
1 1 1 68 16 9  o 1.01968  0.321093  1.21403      0.729682 2.67643      1.09333  0.0394873    0.97983  1.47231  0.371153  0.756059 0.333254  
1 1 1 68 16 10 o 0.607869 0.27822   -0.339677    0.766906 -0.436052    1.10716  -0.250785    1.06331  0.718177 0.331008  0.730692 0.332244  
1 1 1 68 16 11 o 1.43993  0.28546   2.39807      0.792856 2.62927      1.16392  2.19791      1.08299  1.42232  0.395216  1.30543  0.387291  
1 1 1 68 16 12 o 0.900132 0.33357   0.897513     0.797367 1.69153      1.17228  0.213869     1.08775  1.13707  0.406336  0.801612 0.352309  
1 1 1 68 16 13 o 1.36302  0.299136  2.22319      0.793239 2.81666      1.19569  1.75668      1.06012  1.44702  0.400037  1.15357  0.388168  
1 1 1 68 16 14 o 1.18344  0.329875  1.75571      0.809618 0.966626     1.21986  2.37695      1.08237  0.957198 0.394547  1.33341  0.384612  
1 1 1 68 16 15 o 1.9401   0.215855  4.1327       0.837559 2.58221      1.19639  5.62299      1.17293  1.3491   0.408456  2.21331  0.264972  
1 1 1 68 16 16 o 1.17221  0.336741  1.81829      0.831366 1.19028      1.2202   2.36243      1.13579  0.966814 0.395894  1.27086  0.400685  
1 1 1 68 16 17 o 0.940635 0.349386  1.183        0.875781 1.3791       1.31539  1.02686      1.17376  0.98643  0.408419  0.91281  0.382346  
1 1 1 68 16 18 o 1.25212  0.353353  2.20464      0.92337  1.28437      1.33388  3.0514       1.2795   0.958336 0.404783  1.38334  0.423124  
1 1 1 68 16 19 o 1.19321  0.369442  2.17039      0.971427 1.46012      1.43385  2.773        1.32072  0.956765 0.412362  1.24865  0.432742  
1 1 1 68 16 20 o 0.627741 0.295163  -0.204976    0.960462 0.471826     1.40875  -0.792821    1.31291  0.780585 0.364944  0.645452 0.314555  
1 1 1 68 16 21 o 1.87751  0.276901  4.60857      1.03977  4.13236      1.57183  4.97908      1.38647  1.3631   0.472121  1.714    0.40947   
1 1 1 68 16 22 o 0.742485 0.331165  0.663197     1.00291  -0.206839    1.53276  1.31455      1.32622  0.700432 0.341085  0.848461 0.379561  
1 1 1 68 17 0  o 1.92829  0.236046  4.00357      0.879526 4.00357      0.879526 4.00357      0.879526 1.96628  0.160611  ?        ?         
1 1 1 68 17 1  o 1.5131   0.217867  2.42535      0.659306 1.3264       0.928463 3.54312      0.936386 1.07087  0.363265  1.80792  0.258968  
1 1 1 68 17 2  o 0.676372 0.281992  0.208283     0.633872 0.29406      0.90265  0.124829     0.890338 0.789317 0.333169  0.749608 0.324031  
1 1 1 68 17 3  o 1.42552  0.208403  2.14389      0.594168 2.69178      0.778781 1.38075      0.919108 1.58086  0.246316  1.0864   0.36143   
1 1 1 68 17 4  o 1.85512  0.167657  3.56599      0.622046 3.09337      0.804905 4.26685      0.980176 1.69826  0.236979  1.9891   0.246387  
1 1 1 68 17 5  o 3.21092  0.108634  10.47        0.697631 10.0028      0.909116 11.1393      1.08801  3.11929  0.145725  3.27849  0.165931  
1 1 1 68 17 6  o 1.41843  0.211596  2.13364      0.600267 2.03582      0.755371 2.30126      0.988832 1.331    0.291737  1.37753  0.356323  
1 1 1 68 17 7  o 1.92931  0.164272  3.86411      0.633864 3.79281      0.790808 3.99222      1.06008  1.88997  0.209212  1.89616  0.279533  
1 1 1 68 17 8  o 2.72613  0.15112   7.68453      0.823947 7.01857      1.24152  8.20873      1.10148  2.53924  0.244466  2.78557  0.197712  
1 1 1 68 17 9  o 1.10065  0.327796  1.45873      0.774801 2.04453      1.13011  0.939149     1.06432  1.25613  0.400069  0.956056 0.37755   
1 1 1 68 17 10 o 1.19063  0.320988  1.71907      0.781822 1.86747      1.13756  1.58623      1.07631  1.19428  0.402095  1.11741  0.390327  
1 1 1 68 17 11 o 1.04998  0.329531  1.3558       0.769386 0.57415      1.12639  2.03947      1.05342  0.87265  0.370446  1.24326  0.384674  
1 1 1 68 17 12 o 1.03433  0.335295  1.32555      0.791235 0.67515      1.1829   1.85218      1.06441  0.898879 0.380502  1.18043  0.388952  
1 1 1 68 17 13 o 1.17087  0.333571  1.72833      0.819095 1.20435      1.27905  2.09261      1.06646  1.00968  0.408229  1.24659  0.387318  
1 1 1 68 17 14 o 0.781695 0.319741  0.536852     0.795052 -0.581787    1.15852  1.53269      1.09308  0.689746 0.324275  1.06629  0.391239  
1 1 1 68 17 15 o 0.774184 0.322914  0.519707     0.83176  0.98388      1.15791  0.0248445    1.19557  0.92079  0.382335  0.765338 0.349147  
1 1 1 68 17 16 o 0.894798 0.344036  1.0212       0.869399 0.955632     1.23687  1.08522      1.22229  0.904929 0.386288  0.928102 0.389525  
1 1 1 68 17 17 o 1.21027  0.3585    2.08101      0.928445 2.38514      1.39304  1.83793      1.24538  1.18144  0.440283  1.07652  0.412368  
1 1 1 68 17 18 o 0.743311 0.324454  0.43384      0.909607 0.518693     1.34371  0.362066     1.23581  0.821421 0.373497  0.78592  0.357577  
1 1 1 68 17 19 o 1.30148  0.351795  2.56467      0.937564 3.36443      1.34234  1.8029       1.31008  1.33591  0.43679   0.983455 0.407415  
1 1 1 68 17 20 f 1.16179  0.372333  2.28749      0.977728 2.11529      1.43191  2.43791      1.33827  0.989567 0.418754  1.07141  0.423279  
1 1 1 68 17 21 o 0.828137 0.3521    1.07015      1.0204   2.13209      1.64592  0.407205     1.30047  0.955224 0.425198  0.742493 0.347944  
1 1 1 68 17 22 o 0.526448 0.259457  -0.905799    0.985303 -1.39652     1.49418  -0.528232    1.31064  0.58575  0.29361   0.612518 0.30168   
1 1 1 68 18 0  o 3.94771  0.135791  15.8307      1.06925  15.8307      1.06925  15.8307      1.06925  3.96326  0.0955107 ?        ?         
1 1 1 68 18 1  o 1.66779  0.210409  2.94649      0.701836 3.03914      1.00702  2.85898      0.978674 1.61397  0.323381  1.56351  0.323889  
1 1 1 68 18 2  o 1.28689  0.253381  1.84722      0.628919 2.77605      0.850503 0.726504     0.934233 1.5666   0.281701  0.894675 0.353595  
1 1 1 68 18 3  o 1.44104  0.211862  2.20453      0.610602 1.92207      0.810701 2.57483      0.928225 1.27703  0.318204  1.48026  0.322497  
1 1 1 68 18 4  o 2.70869  0.120704  7.48729      0.653902 7.69871      0.859578 7.19688      1.00743  2.72743  0.157581  2.61533  0.192602  
1 1 1 68 18 5  o 2.22084  0.144748  5.08206      0.642922 5.30763      0.838535 4.76031      1.00147  2.24794  0.186512  2.09702  0.238784  
1 1 1 68 18 6  o 1.71849  0.210488  3.15015      0.723442 3.29208      1.0469   3.02043      1.00086  1.669    0.325235  1.59735  0.324578  
1 1 1 68 18 7  o 5.15548  0.133567  27.3193      1.37721  24.0586      1.84849  31.3874      2.06472  4.76671  0.193896  5.45153  0.189371  
1 1 1 68 18 8  o 1.99114  0.208772  4.24685      0.831386 3.06985      1.22421  5.25434      1.13263  1.53691  0.395929  2.17388  0.26051   
1 1 1 68 18 9  o 2.26933  0.17722   5.43174      0.804344 4.55074      1.13434  6.32268      1.14072  1.99683  0.284034  2.39852  0.237796  
1 1 1 68 18 10 o 3.09666  0.140355  9.93585      0.869264 9.14826      1.22159  10.7437      1.2372   2.90938  0.209941  3.16896  0.195206  
1 1 1 68 18 11 o 0.967624 0.330452  1.13432      0.768304 1.43884      1.12071  0.864295     1.05532  1.06132  0.395031  0.916965 0.370784  
1 1 1 68 18 12 o 1.00582  0.337712  1.25765      0.802434 1.60582      1.1853   0.963067     1.09027  1.09685  0.406653  0.9389   0.37802   
1 1 1 68 18 13 o 0.736705 0.315058  0.324336     0.82545  1.09691      1.1632   -0.459394    1.17157  0.959335 0.388715  0.705927 0.330709  
1 1 1 68 18 14 o 1.17351  0.33697   1.82727      0.832672 2.20087      1.16862  1.44199      1.18674  1.21443  0.407547  1.01827  0.399764  
1 1 1 68 18 15 o 1.7372   0.250891  3.52236      0.871693 4.62951      1.24402  2.45439      1.2218   1.86959  0.345708  1.25002  0.416718  
1 1 1 68 18 16 o 1.86975  0.255805  4.13014      0.956582 4.56017      1.4056   3.75914      1.30556  1.75378  0.408044  1.57858  0.409946  
1 1 1 68 18 17 o 0.895145 0.348064  1.08787      0.89512  1.21114      1.28136  0.970373     1.25096  0.928496 0.394662  0.885185 0.383381  
1 1 1 68 18 18 o 0.939534 0.353941  1.38455      0.905053 1.31336      1.32466  1.44687      1.23946  0.899926 0.39219   0.926088 0.390631  
1 1 1 68 18 19 o 0.90107  0.360012  1.35363      0.978154 1.64155      1.48537  1.13317      1.29977  0.913788 0.405565  0.845476 0.377056  
1 1 1 68 18 20 o 1.19892  0.379157  2.45173      1.01638  0.414497     1.47629  4.28748      1.40139  0.766653 0.362071  1.50836  0.438469  
1 1 1 68 18 21 o 0.867835 0.360104  1.5016       1.02609  1.41768      1.58572  1.56206      1.34584  0.803164 0.378116  0.834173 0.377338  
1 1 1 68 19 0  o 3.34445  0.155949  11.4588      1.03796  11.4588      1.03796  11.4588      1.03796  3.365    0.109318  ?        ?         
1 1 1 68 19 1  o 0.614266 0.272327  -0.0820556   0.667236 0.381311     0.995406 -0.460139    0.899148 0.822877 0.348725  0.642506 0.296955  
1 1 1 68 19 2  o 3.18403  0.113158  10.3336      0.720596 10.2598      0.989353 10.417       1.05165  3.14524  0.157278  3.1626   0.166264  
1 1 1 68 19 3  f 1.63932  0.189296  2.83448      0.620632 2.63534      0.825086 3.094        0.941875 1.51674  0.282526  1.63404  0.29936   
1 1 1 68 19 4  o 0.734213 0.298351  0.385464     0.687675 0.132501     1.01821  0.597621     0.932475 0.777852 0.34137   0.851606 0.346962  
1 1 1 68 19 5  o 2.1588   0.172792  4.88292      0.746046 3.34272      1.09709  6.20784      1.01753  1.65982  0.342179  2.40645  0.211418  
1 1 1 68 19 6  f 0.970816 0.325697  1.11121      0.746354 0.723854     1.11209  1.42866      1.00676  0.908865 0.375872  1.07302  0.377248  
1 1 1 68 19 7  o 2.34813  0.173522  5.80342      0.814905 5.27358      1.1682   6.3056       1.13732  2.16225  0.270136  2.39553  0.237383  
1 1 1 68 19 8  o 1.01865  0.332167  1.27191      0.7763   1.83451      1.13527  0.777817     1.06391  1.17135  0.401667  0.902558 0.369642  
1 1 1 68 19 9  o 1.0907   0.323209  1.47043      0.75455  2.89409      1.08987  0.159847     1.04569  1.50022  0.365983  0.776128 0.342904  
1 1 1 68 19 10 o 0.803688 0.320493  0.605376     0.773849 0.460977     1.11922  0.737636     1.07114  0.843646 0.363973  0.889737 0.36848   
1 1 1 68 19 11 o 0.886247 0.329053  0.901224     0.776659 1.91795      1.14292  0.0289088    1.05864  1.17622  0.403041  0.749864 0.337171  
1 1 1 68 19 12 o 0.869171 0.338065  0.860163     0.844557 0.252679     1.21811  1.42252      1.17199  0.809803 0.362976  1.02689  0.398483  
1 1 1 68 19 13 o 1.871    0.229428  3.95569      0.85852  3.64689      1.16145  4.32765      1.2747   1.64569  0.362641  1.79104  0.368481  
1 1 1 68 19 14 f 0.775235 0.325714  0.556286     0.856146 0.405543     1.22699  0.699317     1.19519  0.811086 0.363905  0.853825 0.372311  
1 1 1 68 19 15 o 2.47206  0.189873  6.72267      0.938754 7.46611      1.37103  6.06651      1.28805  2.48398  0.275976  2.21871  0.290268  
1 1 1 68 19 16 o 0.576196 0.275294  -0.618726    0.885044 -0.269849    1.29519  -0.924332    1.21221  0.722425 0.340579  0.638458 0.308892  
1 1 1 68 19 17 o 0.717265 0.317804  0.415632     0.906909 1.56032      1.32743  -0.586408    1.24196  0.943484 0.401382  0.654719 0.315989  
1 1 1 68 19 18 o 0.541797 0.26348   -0.79834     0.907541 -2.45631     1.31803  0.696405     1.25147  0.53451  0.26937   0.784913 0.357845  
1 1 1 68 19 19 o 0.622025 0.293429  -0.224744    0.964298 -0.81446     1.42687  0.271027     1.30828  0.658883 0.322485  0.739395 0.34694   
1 1 1 68 19 20 o 0.703409 0.320677  0.510401     1.00482  -1.33622     1.50679  1.98924      1.34842  0.608815 0.303708  0.923584 0.398996  
1 1 1 68 20 0  o 0.313821 0.232847  -2.42246     0.971611 -2.42246     0.971611 -2.42246     0.971611 0.232048 0.173763  ?        ?         
1 1 1 68 20 1  o 1.13316  0.284153  1.50541      0.643386 0.308303     0.88519  2.84608      0.936769 0.769735 0.327627  1.54735  0.313639  
1 1 1 68 20 2  o 0.695366 0.296907  0.190719     0.731033 0.294534     1.05433  0.0946021    1.01449  0.811172 0.351653  0.764618 0.337793  
1 1 1 68 20 3  o 1.3968   0.265312  2.23262      0.714385 2.25819      1.11144  2.21462      0.932529 1.31018  0.393091  1.33283  0.346624  
1 1 1 68 20 4  o 1.6128   0.2284    2.83785      0.736726 2.26356      1.14087  3.24862      0.964881 1.30191  0.399816  1.65926  0.301917  
1 1 1 68 20 5  o 1.5224   0.244287  2.56781      0.743806 1.92421      1.16118  3.01564      0.968614 1.19532  0.406248  1.58139  0.317435  
1 1 1 68 20 6  o 0.729366 0.304268  0.343494     0.73866  -0.487235    1.07565  1.08484      1.01613  0.688125 0.320619  0.968083 0.372006  
1 1 1 68 20 7  o 1.12984  0.320392  1.57742      0.757351 1.13668      1.07644  2.00944      1.06575  0.984303 0.381906  1.22715  0.388275  
1 1 1 68 20 8  o 1.28018  0.312081  2.00572      0.79291  1.47619      1.16635  2.46074      1.08118  1.0689   0.40197   1.36125  0.38178   
1 1 1 68 20 9  o 0.987497 0.328846  1.20123      0.760857 -0.00818864  1.10493  2.29183      1.04925  0.759068 0.342711  1.31045  0.378908  
1 1 1 68 20 10 o 1.3784   0.300307  2.32116      0.804879 2.77579      1.13217  1.85659      1.14447  1.42315  0.387436  1.14818  0.402362  
1 1 1 68 20 11 o 0.924488 0.337093  1.069        0.810363 0.732305     1.18266  1.36699      1.1126   0.878713 0.376495  1.00742  0.388805  
1 1 1 68 20 12 o 0.693892 0.305566  0.183286     0.821546 0.416282     1.17662  -0.0383577   1.1476   0.812658 0.360786  0.739687 0.339299  
1 1 1 68 20 13 o 0.81625  0.331775  0.738188     0.850609 -0.173295    1.15838  1.80478      1.25307  0.716674 0.333457  1.07371  0.412987  
1 1 1 68 20 14 o 0.969783 0.35251   1.30869      0.885585 3.13507      1.25956  -0.47679     1.24537  1.41598  0.417004  0.697825 0.33097   
1 1 1 68 20 15 o 0.677682 0.308248  0.0468051    0.916995 0.183726     1.37195  -0.063754    1.23283  0.785455 0.36447   0.731942 0.34189   
1 1 1 68 20 16 o 1.29304  0.346595  2.48981      0.914808 2.14786      1.31585  2.80969      1.2727   1.05931  0.419333  1.22944  0.424925  
1 1 1 68 20 17 o 1.10614  0.359707  1.99694      0.910365 1.40295      1.29452  2.57814      1.2805   0.892933 0.388413  1.13306  0.42215   
1 1 1 68 20 18 o 1.09578  0.372185  2.04104      0.974618 3.27937      1.51216  1.16108      1.2747   1.20764  0.456773  0.855049 0.378077  
1 1 1 68 20 19 o 0.770178 0.333157  0.867942     0.94245  1.10914      1.41028  0.673308     1.26687  0.809269 0.373217  0.752551 0.349599  
1 1 1 68 21 0  o 1.25708  0.463402  2.37881      1.07485  2.37881      1.07485  2.37881      1.07485  1.40857  0.308482  ?        ?         
1 1 1 68 21 1  o 1.1878   0.302891  1.70459      0.721909 2.81161      1.16632  1.01708      0.919139 1.45493  0.391967  0.942497 0.356225  
1 1 1 68 21 2  o 0.803907 0.315985  0.618957     0.742281 0.419195     1.14095  0.765558     0.977412 0.845085 0.366076  0.88499  0.357255  
1 1 1 68 21 3  o 0.445631 0.22026   -1.42019     0.723124 -0.891265    1.14353  -1.77263     0.933456 0.661    0.315121  0.503912 0.249352  
1 1 1 68 21 4  o 2.12772  0.182289  4.80923      0.775719 4.39729      1.17272  5.12969      1.03433  1.93821  0.302527  2.15205  0.240313  
1 1 1 68 21 5  o 0.547856 0.258473  -0.618836    0.748673 0.269143     1.15359  -1.26501     0.984069 0.819513 0.361362  0.566942 0.275285  
1 1 1 68 21 6  o 0.519684 0.249232  -0.808442    0.742896 -0.0758786   1.11429  -1.39459     0.996736 0.75309  0.341812  0.558248 0.272419  
1 1 1 68 21 7  o 0.686182 0.299913  0.117738     0.779339 0.872638     1.18069  -0.46512     1.03746  0.929689 0.386057  0.673938 0.314344  
1 1 1 68 21 8  o 1.71747  0.24882   3.33481      0.854679 4.08398      1.24011  2.65702      1.17956  1.77654  0.361577  1.37554  0.40305   
1 1 1 68 21 9  o 0.633209 0.287434  -0.123441    0.788466 -0.0647296   1.13543  -0.178121    1.09575  0.744224 0.339754  0.71808  0.330291  
1 1 1 68 21 10 o 0.65577  0.29646   -0.0457369   0.829503 -2.20881     1.18627  2.02383      1.16035  0.547874 0.272768  1.16442  0.405419  
1 1 1 68 21 11 o 0.921984 0.338371  1.10742      0.817668 0.899015     1.16658  1.30868      1.1464   0.890696 0.377495  0.974554 0.389593  
1 1 1 68 21 12 o 0.644714 0.293565  -0.0741874   0.836591 -0.620699    1.21685  0.415664     1.15205  0.678391 0.323805  0.797833 0.355418  
1 1 1 68 21 13 o 1.92152  0.250158  4.34603      0.961368 4.0943       1.29583  4.65421      1.43377  1.67339  0.39338   1.75608  0.414414  
1 1 1 68 21 14 o 2.01641  0.241293  4.80449      0.973091 5.45488      1.41304  4.21782      1.34203  1.94473  0.376745  1.64813  0.408639  
1 1 1 68 21 15 o 0.704691 0.312577  0.375899     0.880576 0.32542      1.25253  0.425231     1.23823  0.754235 0.349316  0.765229 0.351613  
1 1 1 68 21 16 o 0.695932 0.310165  0.388809     0.878252 -0.304435    1.25353  1.05721      1.23086  0.671037 0.322284  0.837834 0.370857  
1 1 1 68 21 17 o 0.940693 0.353135  1.44522      0.899385 2.71417      1.28805  0.237917     1.25638  1.16285  0.424892  0.728199 0.34138   
1 1 1 68 21 18 o 0.560047 0.271686  -0.646726    0.954637 -0.58154     1.46243  -0.695127    1.26016  0.661949 0.32465   0.620971 0.303726  
1 1 1 68 22 0  o 0.96304  0.489737  1.69709      1.16988  1.69709      1.16988  1.69709      1.16988  1.0577   0.411893  ?        ?         
1 1 1 68 22 1  o 1.66176  0.246662  3.08472      0.819786 2.85689      1.1736   3.30181      1.14561  1.45748  0.393429  1.60258  0.365406  
1 1 1 68 22 2  o 1.10795  0.332843  1.54326      0.796514 2.46298      1.1716   0.752821     1.08614  1.33802  0.404021  0.894367 0.370764  
1 1 1 68 22 3  o 0.820236 0.315239  0.697231     0.729765 1.34153      1.13026  0.236621     0.955659 1.03116  0.39347   0.762352 0.332667  
1 1 1 68 22 4  o 1.25211  0.301502  1.90714      0.747112 0.912098     1.11517  2.71745      1.00635  0.928663 0.379071  1.4592   0.349013  
1 1 1 68 22 5  o 0.934352 0.325027  1.06198      0.745651 0.546137     1.12702  1.46358      0.994406 0.85202  0.366378  1.05542  0.374533  
1 1 1 68 22 6  o 0.865081 0.329924  0.850786     0.794323 1.48303      1.14688  0.267903     1.1012   1.04815  0.3974    0.792273 0.350724  
1 1 1 68 22 7  o 1.38709  0.30293   2.38421      0.817176 1.80318      1.18951  2.9035       1.12454  1.11604  0.408264  1.44966  0.382335  
1 1 1 68 22 8  o 1.0305   0.354395  1.43538      0.884329 2.10864      1.33802  0.913188     1.17839  1.16214  0.431818  0.906255 0.381508  
1 1 1 68 22 9  o 1.71639  0.245053  3.40029      0.841209 3.63425      1.24852  3.20579      1.13839  1.59264  0.393698  1.51218  0.377234  
1 1 1 68 22 10 o 0.982595 0.345543  1.32523      0.844699 1.69785      1.21134  0.972541     1.17851  1.05306  0.405843  0.899852 0.380299  
1 1 1 68 22 11 o 0.536953 0.259431  -0.870757    0.84405  -1.32233     1.2216   -0.458253    1.16756  0.613706 0.299909  0.68251  0.32223   
1 1 1 68 22 12 o 1.27524  0.34502   2.26513      0.90129  2.80996      1.30027  1.76127      1.25043  1.29928  0.42989   1.04933  0.410692  
1 1 1 68 22 13 o 0.807313 0.341345  0.769429     0.950154 0.779373     1.33702  0.759282     1.35052  0.843655 0.379155  0.842017 0.379593  
1 1 1 68 22 14 o 1.8992   0.246861  4.42079      0.937674 3.56241      1.33346  5.2604       1.3188   1.39446  0.433063  1.8829   0.363167  
1 1 1 68 22 15 o 0.590724 0.278947  -0.284143    0.875725 -0.336453    1.26416  -0.23588     1.21427  0.668337 0.321634  0.669745 0.320579  
1 1 1 68 22 16 o 1.03243  0.360023  1.76964      0.91534  0.709527     1.28678  2.85555      1.30234  0.790461 0.361206  1.1928   0.428081  
1 1 1 68 22 17 o 0.720791 0.318358  0.592464     0.90041  -0.969784    1.25051  2.27441      1.29753  0.599174 0.295114  1.01699  0.411177  
1 1 1 68 22 18 o 0.648851 0.302993  0.294015     0.967406 -0.737981    1.45266  1.11646      1.29681  0.617043 0.306459  0.766228 0.355087  
1 1 1 68 23 0  o 0.515224 0.357796  -0.467273    1.20407  -0.467273    1.20407  -0.467273    1.20407  0.426582 0.296626  ?        ?         
1 1 1 68 23 1  o 0.585974 0.275007  -0.520499    0.82352  0.465803     1.14818  -1.56543     1.18182  0.835517 0.364616  0.599724 0.29352   
1 1 1 68 23 2  o 1.15318  0.344526  1.74531      0.854997 2.39449      1.2256   1.12985      1.19334  1.27777  0.417365  0.966291 0.392901  
1 1 1 68 23 3  o 2.07792  0.213416  4.76121      0.886922 3.36748      1.24644  6.19063      1.2623   1.5493   0.399726  2.30055  0.274348  
1 1 1 68 23 4  o 0.690108 0.306983  0.0746502    0.85666  1.1319       1.16285  -1.1801      1.26682  0.956942 0.388281  0.652439 0.315676  
1 1 1 68 23 5  o 1.09216  0.338893  1.5843       0.816817 2.0218       1.21715  1.22583      1.10176  1.16041  0.414104  0.970187 0.383816  
1 1 1 68 23 6  o 0.666402 0.297985  0.042744     0.816616 0.145922     1.19727  -0.0470114   1.11668  0.77778  0.353361  0.733084 0.335611  
1 1 1 68 23 7  o 0.681183 0.300291  0.164867     0.795947 0.810596     1.18406  -0.36748     1.07509  0.877477 0.376367  0.67557  0.316543  
1 1 1 68 23 8  o 0.542729 0.262202  -0.887502    0.861553 -0.079106    1.32631  -1.47762     1.13319  0.763507 0.35585   0.578203 0.284282  
1 1 1 68 23 9  o 1.55332  0.293925  3.02556      0.879897 4.00672      1.3152   2.23057      1.18386  1.64769  0.402091  1.18874  0.409926  
1 1 1 68 23 10 o 1.39652  0.312886  2.54228      0.852091 1.61427      1.21552  3.43896      1.19482  1.02384  0.403745  1.53099  0.389232  
1 1 1 68 23 11 o 0.922047 0.34875   1.18241      0.881505 1.58508      1.32253  0.860521     1.18247  0.998622 0.411081  0.861486 0.372922  
1 1 1 68 23 12 o 1.18366  0.366645  2.20301      0.956636 0.563351     1.41895  3.5693       1.29527  0.808417 0.373409  1.44084  0.422413  
1 1 1 68 23 13 o 0.90363  0.357208  1.29648      0.953612 0.463089     1.35027  2.12578      1.34696  0.774702 0.360287  1.03354  0.418494  
1 1 1 68 23 14 o 0.621444 0.28977   -0.0559469   0.880734 0.133677     1.25554  -0.239648    1.23578  0.712061 0.335585  0.670618 0.321576  
1 1 1 68 23 15 o 1.01466  0.355721  1.68798      0.894603 0.836572     1.25744  2.56062      1.27302  0.806968 0.364899  1.13376  0.421214  
1 1 1 68 23 16 o 1.44702  0.337148  3.19955      0.958526 3.2724       1.39909  3.13512      1.31585  1.19215  0.441843  1.19974  0.430324  
1 1 1 68 23 17 o 1.26611  0.365412  2.89617      0.976725 1.72051      1.52141  3.72042      1.2739   0.82449  0.383055  1.27914  0.42551   
1 1 1 68 24 0  o 0.648547 0.417815  0.52955      1.20913  0.52955      1.20913  0.52955      1.20913  0.602443 0.371539  ?        ?         
1 1 1 68 24 1  f 2.46468  0.185627  6.59671      0.915025 6.16675      1.29418  7.02648      1.2939   2.26408  0.285807  2.44668  0.26442   
1 1 1 68 24 2  o 0.969336 0.359755  1.25748      0.928159 2.62158      1.33464  -0.0201526   1.29165  1.28048  0.435535  0.773397 0.356864  
1 1 1 68 24 3  o 2.22334  0.226418  5.5905       1.00681  6.23536      1.39296  4.88512      1.45687  2.23653  0.311412  1.84394  0.406     
1 1 1 68 24 4  o 2.06326  0.237249  4.88218      0.979015 5.02175      1.33967  4.72221      1.43424  1.9328   0.359984  1.8047   0.407045  
1 1 1 68 24 5  o 1.30557  0.343973  2.32268      0.910798 1.3806       1.21313  3.53971      1.37885  0.984945 0.397843  1.49442  0.435095  
1 1 1 68 24 6  o 0.843975 0.341575  0.832859     0.896722 -0.308035    1.21777  2.18425      1.32536  0.712877 0.334538  1.15221  0.429443  
1 1 1 68 24 7  o 0.630805 0.290118  -0.170826    0.845172 -1.38505     1.27024  0.793753     1.13215  0.622222 0.304478  0.858604 0.36814   
1 1 1 68 24 8  o 1.03973  0.362342  1.56473      0.927048 0.608613     1.40534  2.30131      1.23349  0.855199 0.386286  1.18823  0.41759   
1 1 1 68 24 9  o 1.10935  0.355496  1.77893      0.891316 1.3007       1.3234   2.17595      1.20581  0.950965 0.402504  1.15319  0.412106  
1 1 1 68 24 10 o 0.791928 0.335852  0.715224     0.924368 0.114135     1.32375  1.28725      1.29136  0.755201 0.353344  0.920438 0.393863  
1 1 1 68 24 11 o 0.915861 0.356692  1.31492      0.940827 -0.174611    1.32026  2.85173      1.34105  0.707902 0.337746  1.21105  0.43442   
1 1 1 68 24 12 o 1.14146  0.364375  2.12411      0.937057 2.78834      1.4027   1.58877      1.25927  1.14775  0.438224  0.933256 0.393701  
1 1 1 68 24 13 o 1.02242  0.370228  1.81703      0.976032 2.43677      1.43681  1.286        1.33001  1.04902  0.429584  0.866647 0.384316  
1 1 1 68 24 14 o 0.832199 0.343541  1.04353      0.926358 1.3769       1.39106  0.777885     1.24175  0.880741 0.391502  0.793045 0.360181  
1 1 1 68 24 15 o 0.835092 0.342895  1.17833      0.917873 2.40543      1.36388  0.162468     1.24095  1.00717  0.416375  0.689246 0.328512  
1 1 1 68 25 0  o 1.656    0.510852  4.16309      1.47667  4.16309      1.47667  4.16309      1.47667  1.8793   0.301075  ?        ?         
1 1 1 68 25 1  o 1.97624  0.258892  4.61977      1.02327  4.37755      1.38106  4.91459      1.52365  1.722    0.406953  1.79212  0.429959  
1 1 1 68 25 2  o 1.90587  0.268636  4.34971      1.02397  5.36072      1.42037  3.25566      1.47754  1.96495  0.374871  1.37339  0.458259  
1 1 1 68 25 3  o 1.85808  0.274923  4.17022      1.02166  4.53951      1.45132  3.80744      1.43845  1.72646  0.423054  1.53234  0.44384   
1 1 1 68 25 4  o 1.19708  0.378178  2.11879      1.01133  -1.46633     1.37102  6.39792      1.49786  0.641492 0.314529  2.20329  0.339914  
1 1 1 68 25 5  o 0.817729 0.342167  0.717327     0.938505 1.57633      1.29696  -0.226864    1.35975  1.01286  0.410435  0.747531 0.351404  
1 1 1 68 25 6  o 1.35704  0.371825  2.67355      1.03865  2.64454      1.52256  2.6988       1.42048  1.20154  0.457203  1.23748  0.446782  
1 1 1 68 25 7  o 1.31295  0.374052  2.55639      1.02996  3.41432      1.45216  1.68792      1.46106  1.38993  0.454306  1.01212  0.425381  
1 1 1 68 25 8  o 0.593743 0.286633  -0.761537    1.02352  -1.68942     1.42449  0.22876      1.47162  0.620434 0.307258  0.788035 0.369438  
1 1 1 68 25 9  o 1.24264  0.392161  2.59302      1.08771  0.574471     1.59789  4.33603      1.48483  0.8178   0.383674  1.52857  0.453486  
1 1 1 68 25 10 o 1.51384  0.336753  3.31953      0.992903 3.18425      1.45777  3.43659      1.35609  1.22669  0.451647  1.33505  0.439022  
1 1 1 68 25 11 o 0.77686  0.334386  0.788797     0.940497 -1.87481     1.45245  2.71197      1.23417  0.592825 0.296077  1.17698  0.417292  
1 1 1 68 25 12 o 1.17725  0.359628  2.23835      0.924693 2.53474      1.43483  2.02781      1.20932  1.0748   0.433276  1.0221   0.402823  
1 1 1 68 25 13 o 1.01119  0.365834  1.776        0.952813 -0.0842565   1.38649  3.4407       1.31159  0.703599 0.338172  1.31773  0.431758  
1 1 1 68 25 14 o 0.986168 0.357296  1.79389      0.909144 1.97894      1.3319   1.63245      1.24404  0.916161 0.396176  0.871511 0.379935  
1 1 1 68 26 0  o 1.12818  0.560816  2.70928      1.51793  2.70928      1.51793  2.70928      1.51793  1.33397  0.45081   ?        ?         
1 1 1 68 26 1  o 1.29816  0.385307  2.53152      1.07176  0.518197     1.49055  4.68664      1.54215  0.849939 0.388539  1.69726  0.447776  
1 1 1 68 26 2  o 0.905074 0.366958  1.09711      1.03754  0.37239      1.45785  1.84094      1.47694  0.826984 0.380632  1.0468   0.433054  
1 1 1 68 26 3  o 3.04005  0.190588  10.2232      1.15879  8.98403      1.54067  11.8374      1.7584   2.69418  0.285925  3.09675  0.28391   
1 1 1 68 26 4  o 0.75736  0.332561  0.451744     0.967436 0.348459     1.26749  0.595895     1.49739  0.789284 0.359916  0.848469 0.388518  
1 1 1 68 26 5  o 2.27166  0.23354   6.07713      1.06105  6.50158      1.44238  5.57658      1.56637  2.19685  0.328283  1.86054  0.429358  
1 1 1 68 26 6  o 0.950795 0.374558  1.46741      1.04514  1.19269      1.41062  1.80175      1.55618  0.890854 0.395328  0.977381 0.425516  
1 1 1 68 26 7  o 0.754366 0.332311  0.574729     0.972344 -0.368879    1.27175  1.90251      1.50859  0.680377 0.326248  0.983658 0.423451  
1 1 1 68 26 8  o 0.863618 0.358915  1.14759      1.02181  -0.00898185  1.32962  2.816        1.59695  0.718587 0.341368  1.10755  0.453113  
1 1 1 68 26 9  o 1.75798  0.340276  4.51918      1.15369  4.14471      1.51805  5.0312       1.77507  1.40193  0.464499  1.45539  0.501945  
1 1 1 68 26 10 o 0.667872 0.310648  0.0850239    1.00428  0.354674     1.37436  -0.223929    1.47111  0.750857 0.35306   0.707318 0.341874  
1 1 1 68 26 11 o 0.662159 0.308826  0.0362287    1.00111  0.369633     1.46848  -0.253274    1.36839  0.764011 0.360959  0.692961 0.333764  
1 1 1 68 26 12 o 0.540419 0.263435  -0.782126    0.922964 -0.86093     1.32365  -0.707553    1.28763  0.622879 0.306569  0.628008 0.307133  
1 1 1 68 26 13 o 0.827471 0.345603  1.30522      0.954724 0.489516     1.33     2.1724       1.37132  0.701191 0.335602  0.908756 0.397508  
1 1 1 68 27 0  o 0.783095 0.488244  1.45613      1.5097   1.45613      1.5097   1.45613      1.5097   0.82531  0.454328  ?        ?         
1 1 1 68 27 1  o 1.26649  0.395257  2.68766      1.10898  2.46638      1.59144  2.89655      1.5462   1.07752  0.447873  1.16698  0.456698  
1 1 1 68 27 2  o 1.0746   0.384024  1.95896      1.04708  2.14357      1.50134  1.78412      1.46107  1.03208  0.432368  0.975644 0.418263  
1 1 1 68 27 3  o 0.715157 0.330716  0.183312     1.11722  -1.51868     1.66435  1.57921      1.50728  0.664879 0.329917  0.93753  0.413276  
1 1 1 68 27 4  o 1.74722  0.337242  4.35197      1.13641  2.81059      1.62902  5.8132       1.5861   1.11273  0.456836  1.83538  0.437635  
1 1 1 68 27 5  o 1.21393  0.39599   2.5677       1.10328  0.014011     1.51258  5.47101      1.6128   0.745724 0.357151  1.70972  0.461068  
1 1 1 68 27 6  o 0.870743 0.359887  1.20394      1.01854  0.437026     1.36269  2.17478      1.5332   0.765519 0.358275  1.00063  0.428702  
1 1 1 68 27 7  o 1.20756  0.386838  2.54462      1.05547  1.23749      1.37151  4.44311      1.65288  0.859391 0.385179  1.38537  0.483727  
1 1 1 68 27 8  o 1.03271  0.38203   1.91759      1.04495  0.960467     1.33878  3.40974      1.67159  0.822084 0.373535  1.1672   0.468843  
1 1 1 68 27 9  o 0.902315 0.36864   1.37139      1.05557  1.65219      1.50689  1.10085      1.4791   0.92077  0.4086    0.848701 0.387586  
1 1 1 68 27 10 o 0.652535 0.304403  0.061862     0.973294 -0.667671    1.30893  0.964077     1.45562  0.638431 0.311661  0.81309  0.376573  
1 1 1 68 27 11 o 0.799939 0.342185  1.08299      0.974143 0.915603     1.32366  1.28076      1.43883  0.7689   0.357253  0.811541 0.375296  
1 1 1 68 27 12 o 1.19171  0.382493  2.7873       1.03153  1.81467      1.34602  4.17143      1.60571  0.855132 0.382469  1.16738  0.462872  
1 1 1 68 28 0  o 0.844823 0.505413  1.85812      1.48577  1.85812      1.48577  1.85812      1.48577  0.944845 0.467074  ?        ?         
1 1 1 68 28 1  o 0.969294 0.382036  1.67969      1.0878   2.29216      1.5591   1.09873      1.51846  1.0127   0.43304   0.849958 0.390053  
1 1 1 68 28 2  o 0.892033 0.371012  1.34214      1.09317  3.06005      1.64818  -0.00715299  1.46069  1.1193   0.459522  0.728778 0.349502  
1 1 1 68 28 3  o 1.11109  0.408578  2.3949       1.19269  1.67473      1.67221  3.1406       1.7016   0.909574 0.414401  1.11228  0.462768  
1 1 1 68 28 4  o 0.985097 0.386273  1.80847      1.10721  3.03448      1.51574  0.405826     1.62125  1.13934  0.450359  0.77431  0.370581  
1 1 1 68 28 5  o 1.17733  0.397456  2.52684      1.11147  4.8937       1.59465  0.29064      1.55     1.53315  0.473067  0.761406 0.363911  
1 1 1 68 28 6  o 0.93389  0.382654  1.56421      1.14067  -0.0644731   1.56594  3.40528      1.66491  0.735191 0.354824  1.17626  0.469772  
1 1 1 68 28 7  o 0.810878 0.357159  0.9312       1.12288  -0.396694    1.4809   2.72725      1.72228  0.695115 0.337577  1.04154  0.450454  
1 1 1 68 28 8  o 0.761749 0.34004   0.722977     1.05935  0.610463     1.40118  0.873098     1.6185   0.768533 0.36033   0.805992 0.380194  
1 1 1 68 28 9  o 0.661998 0.310242  0.188402     1.03447  -0.334822    1.42505  0.771245     1.50405  0.661902 0.323569  0.762386 0.362599  
1 1 1 68 28 10 o 0.773689 0.341272  1.07682      1.03007  1.44021      1.34429  0.560013     1.60313  0.804719 0.368333  0.717606 0.349337  
1 1 1 68 29 0  o 0.736806 0.484372  1.30385      1.73467  1.30385      1.73467  1.30385      1.73467  0.749808 0.453867  ?        ?         
1 1 1 68 29 1  o 0.603414 0.293782  -0.781813    1.135    0.346104     1.70202  -1.68506     1.5231   0.783535 0.376126  0.619413 0.308481  
1 1 1 68 29 2  o 0.851092 0.36753   1.13312      1.14324  2.59574      1.65957  -0.187832    1.57715  1.04316  0.446442  0.727926 0.352204  
1 1 1 68 29 3  o 2.909    0.232287  10.2873      1.35144  8.08622      1.82117  12.985       2.01613  2.14648  0.439373  2.98842  0.337324  
1 1 1 68 29 4  o 1.34588  0.393881  3.14246      1.12717  3.34386      1.5978   2.94294      1.59034  1.16885  0.462274  1.09705  0.451055  
1 1 1 68 29 5  o 0.671513 0.316033  0.0364874    1.10599  -1.0138      1.53248  1.17818      1.59777  0.650138 0.321173  0.837081 0.390308  
1 1 1 68 29 6  o 0.628929 0.303525  -0.339918    1.14555  -1.10067     1.55194  0.570752     1.69799  0.637257 0.316534  0.765961 0.369628  
1 1 1 68 29 7  o 1.81523  0.346649  5.23406      1.21344  5.80514      1.84381  4.79775      1.61165  1.38878  0.508268  1.34114  0.476719  
1 1 1 68 29 8  o 1.71633  0.35458   4.88186      1.17569  5.29366      1.62787  4.43286      1.69982  1.39083  0.480586  1.1647   0.470733  
1 1 1 68 30 0  o 0.984526 0.587136  3.36428      1.99475  3.36428      1.99475  3.36428      1.99475  1.23988  0.546316  ?        ?         
1 1 1 68 30 1  o 0.680296 0.323063  0.140865     1.18991  0.652582     1.57043  -0.548926    1.82332  0.75943  0.363764  0.693923 0.344463  
1 1 1 68 30 2  o 0.712757 0.334693  0.441029     1.22591  0.269472     1.59346  0.689828     1.91894  0.722887 0.350785  0.767594 0.375292  
1 1 1 68 30 3  o 0.936558 0.386546  1.92938      1.17243  2.39689      1.65647  1.46006      1.65967  0.915314 0.41579   0.814442 0.38442   
1 1 1 68 30 4  o 0.934692 0.382917  1.98118      1.14204  1.56519      1.57498  2.44241      1.65843  0.807902 0.37937   0.895174 0.409476  
1 1 1 68 30 5  o 0.914912 0.377543  1.87597      1.11823  1.42544      1.65017  2.25853      1.5206   0.787952 0.376333  0.889206 0.401721  
1 1 1 69 0  0  o 2.29778  0.264606  5.57522      1.17935  5.57522      1.17935  5.57522      1.17935  2.33086  0.181416  ?        ?         
1 1 1 69 0  1  o 2.77212  0.155104  7.80292      0.853775 7.80292      0.853775 7.80292      0.853775 2.78285  0.108848  ?        ?         
1 1 1 69 0  2  o 7.30784  0.111134  53.6096      1.62345  53.6096      1.62345  53.6096      1.62345  7.31484  0.0784875 ?        ?         
1 1 1 69 0  3  o 1.09054  0.414421  1.65871      0.845796 1.65871      0.845796 1.65871      0.845796 1.18516  0.291699  ?        ?         
1 1 1 69 0  4  o 2.6627   0.16095   7.21521      0.849947 7.21521      0.849947 7.21521      0.849947 2.67453  0.112813  ?        ?         
1 1 1 69 0  5  o 5.52158  0.105588  30.6138      1.16506  30.6138      1.16506  30.6138      1.16506  5.52727  0.074554  ?        ?         
1 1 1 69 0  6  o 0.4632   0.309179  -0.150874    0.751358 -0.150874    0.751358 -0.150874    0.751358 0.381754 0.256193  ?        ?         
1 1 1 69 0  7  o 3.50672  0.135095  12.4159      0.94429  12.4159      0.94429  12.4159      0.94429  3.5152   0.0951328 ?        ?         
1 1 1 69 0  8  o 3.56201  0.13647   12.8126      0.968975 12.8126      0.968975 12.8126      0.968975 3.57077  0.0960986 ?        ?         
1 1 1 69 0  9  o 3.3217   0.137816  11.1532      0.911982 11.1532      0.911982 11.1532      0.911982 3.3307   0.0969929 ?        ?         
1 1 1 69 0  10 o 3.44812  0.143499  12.0267      0.985708 12.0267      0.985708 12.0267      0.985708 3.45803  0.100975  ?        ?         
1 1 1 69 0  11 o 3.03906  0.158625  9.38595      0.958142 9.38595      0.958142 9.38595      0.958142 3.05143  0.111351  ?        ?         
1 1 1 69 0  12 o 0.386078 0.273307  -0.792823    0.800721 -0.792823    0.800721 -0.792823    0.800721 0.298016 0.214854  ?        ?         
1 1 1 69 0  13 o 1.68054  0.28103   3.12007      0.865038 3.12007      0.865038 3.12007      0.865038 1.72849  0.181521  ?        ?         
1 1 1 69 0  14 o 3.20113  0.157184  10.4159      1.0008   10.4159      1.0008   10.4159      1.0008   3.21434  0.110375  ?        ?         
1 1 1 69 0  15 o 0.584939 0.372344  0.219471     0.929177 0.219471     0.929177 0.219471     0.929177 0.512971 0.320709  ?        ?         
1 1 1 69 0  16 o 3.4922   0.162805  12.4128      1.13146  12.4128      1.13146  12.4128      1.13146  3.50783  0.114315  ?        ?         
1 1 1 69 0  17 f 1.95119  0.290632  4.17481      1.05879  4.17481      1.05879  4.17481      1.05879  2.00103  0.191076  ?        ?         
1 1 1 69 0  18 o 0.598858 0.385348  0.209437     1.02393  0.209437     1.02393  0.209437     1.02393  0.525245 0.331647  ?        ?         
1 1 1 69 0  19 o 0.777073 0.435824  0.969848     1.00774  0.969848     1.00774  0.969848     1.00774  0.778582 0.384701  ?        ?         
1 1 1 69 0  20 f 1.7937   0.327694  3.69503      1.05819  3.69503      1.05819  3.69503      1.05819  1.86598  0.206246  ?        ?         
1 1 1 69 0  21 o 0.553554 0.366956  -0.00146354  1.02357  -0.00146354  1.02357  -0.00146354  1.02357  0.472708 0.311548  ?        ?         
1 1 1 69 0  22 o 0.834638 0.45799   1.2107       1.08145  1.2107       1.08145  1.2107       1.08145  0.865133 0.401674  ?        ?         
1 1 1 69 0  23 o 1.86804  0.343969  4.12633      1.15486  4.12633      1.15486  4.12633      1.15486  1.95921  0.214253  ?        ?         
1 1 1 69 0  24 o 1.41238  0.461305  2.86224      1.15006  2.86224      1.15006  2.86224      1.15006  1.57091  0.287698  ?        ?         
1 1 1 69 0  25 o 0.640777 0.415973  0.444616     1.23262  0.444616     1.23262  0.444616     1.23262  0.587194 0.368     ?        ?         
1 1 1 69 0  26 o 0.603339 0.400474  0.283541     1.22425  0.283541     1.22425  0.283541     1.22425  0.543779 0.351432  ?        ?         
1 1 1 69 0  27 o 0.70406  0.447807  0.904391     1.34158  0.904391     1.34158  0.904391     1.34158  0.691183 0.408193  ?        ?         
1 1 1 69 0  28 o 1.57066  0.534031  4.29125      1.50028  4.29125      1.50028  4.29125      1.50028  1.86208  0.310978  ?        ?         
1 1 1 69 0  29 o 1.21523  0.578235  3.47775      1.59168  3.47775      1.59168  3.47775      1.59168  1.53156  0.425274  ?        ?         
1 1 1 69 1  0  o 2.00186  0.213274  4.1889       0.831726 4.1889       0.831726 4.1889       0.831726 2.0251   0.146987  ?        ?         
1 1 1 69 1  1  o 2.68364  0.112319  7.25108      0.602847 7.77021      0.854819 6.73741      0.850309 2.76966  0.154318  2.57668  0.165001  
1 1 1 69 1  2  f 1.53853  0.185996  2.41181      0.572321 1.85616      0.780699 3.05735      0.841482 1.30528  0.304367  1.72054  0.24454   
1 1 1 69 1  3  o 2.15414  0.13839   4.68966      0.596223 4.39947      0.825067 5.00682      0.862556 2.07474  0.198836  2.21429  0.194771  
1 1 1 69 1  4  o 3.05669  0.101252  9.39774      0.618993 9.03237      0.894409 9.7336       0.857533 2.98635  0.149749  3.10302  0.138177  
1 1 1 69 1  5  o 1.77263  0.158727  3.18764      0.562726 3.2097       0.802541 3.16631      0.789254 1.76548  0.227286  1.75402  0.224984  
1 1 1 69 1  6  o 4.73971  0.0806335 22.5499      0.764359 22.6606      1.09466  22.4446      1.06778  4.74193  0.115423  4.71999  0.113112  
1 1 1 69 1  7  o 3.19052  0.098825  10.2382      0.630605 9.73829      0.93621  10.6534      0.853182 3.09976  0.151013  3.2474   0.131364  
1 1 1 69 1  8  o 2.45774  0.123167  6.09611      0.605427 5.36237      0.867595 6.79254      0.845248 2.29074  0.18937   2.58525  0.163475  
1 1 1 69 1  9  o 0.760368 0.281292  0.495417     0.56653  0.504866     0.793549 0.485594     0.809065 0.835322 0.327122  0.835046 0.329363  
1 1 1 69 1  10 o 1.71782  0.180123  3.01339      0.618839 2.11315      0.887735 3.86439      0.863125 1.38078  0.326244  1.93449  0.223089  
1 1 1 69 1  11 o 3.09328  0.10809   9.64554      0.668709 10.0918      0.936075 9.18044      0.955624 3.15289  0.148447  3.00383  0.159068  
1 1 1 69 1  12 o 0.493384 0.231911  -0.594588    0.591963 -1.30242     0.83283  0.128163     0.841561 0.52418  0.254122  0.753444 0.320035  
1 1 1 69 1  13 o 2.41047  0.140215  5.89654      0.675967 4.82997      0.937666 7.05061      0.975372 2.15966  0.217086  2.62129  0.186048  
1 1 1 69 1  14 o 4.08815  0.105944  16.8568      0.866233 14.8511      1.20097  19.0317      1.25061  3.81763  0.157293  4.32799  0.144479  
1 1 1 69 1  15 o 0.682293 0.284742  0.166503     0.647289 0.259406     0.913779 0.0729351    0.91704  0.804768 0.337235  0.766128 0.329983  
1 1 1 69 1  16 o 3.66205  0.111105  13.5564      0.813746 13.4021      1.14214  13.7154      1.15968  3.62144  0.157692  3.66322  0.158287  
1 1 1 69 1  17 o 2.81766  0.136305  8.08264      0.768124 8.24258      1.07721  7.9172       1.0956   2.82162  0.190886  2.76161  0.198364  
1 1 1 69 1  18 o 2.58962  0.145305  6.8633       0.752571 6.92045      1.06518  6.80634      1.06342  2.56992  0.20724   2.54782  0.208691  
1 1 1 69 1  19 o 1.26752  0.290754  1.83016      0.721799 1.98732      1.04122  1.68477      1.00149  1.28013  0.379743  1.18613  0.376498  
1 1 1 69 1  20 f 2.00015  0.193306  4.19434      0.773284 4.52825      1.10713  3.87629      1.08053  2.03214  0.272405  1.8699   0.288928  
1 1 1 69 1  21 o 1.68241  0.230783  3.05172      0.776545 3.10506      1.13824  3.00529      1.06211  1.59055  0.365301  1.57912  0.345778  
1 1 1 69 1  22 f 1.5688   0.253135  2.72574      0.794238 2.06537      1.08072  3.50127      1.17117  1.25728  0.389749  1.67665  0.359639  
1 1 1 69 1  23 o 1.36977  0.320421  2.30205      0.863071 1.91548      1.20954  2.70303      1.2319   1.18317  0.413735  1.40208  0.412237  
1 1 1 69 1  24 o 0.537045 0.257214  -0.785594    0.784629 -0.270897    1.09384  -1.33112     1.12613  0.711552 0.328357  0.603839 0.293604  
1 1 1 69 1  25 o 1.22792  0.342431  2.0367       0.872229 2.03158      1.2326   2.04184      1.23444  1.14592  0.415944  1.14823  0.416307  
1 1 1 69 1  26 o 0.859664 0.346453  0.905678     0.917045 0.133889     1.2975   1.67602      1.29629  0.778998 0.358772  1.03442  0.413965  
1 1 1 69 1  27 o 0.890464 0.35108   1.19391      0.918933 0.942506     1.31273  1.43548      1.28679  0.847535 0.378426  0.927395 0.394884  
1 1 1 69 1  28 o 0.631129 0.298491  -0.197886    1.00656  0.857358     1.44511  -1.19227     1.40281  0.810941 0.375437  0.623691 0.307909  
1 1 1 69 1  29 o 2.40701  0.257688  7.55956      1.24051  8.23217      1.80686  6.95983      1.70616  2.07171  0.448736  1.85996  0.460507  
1 1 1 69 2  0  o 1.44368  0.413906  2.61372      1.03496  2.61372      1.03496  2.61372      1.03496  1.54386  0.258926  ?        ?         
1 1 1 69 2  1  o 1.55356  0.194906  2.46607      0.605599 2.72289      0.831201 2.1755       0.88414  1.61975  0.256583  1.40829  0.320943  
1 1 1 69 2  2  o 2.85838  0.11305   8.23036      0.646279 9.13492      0.88345  7.18899      0.947902 3.00373  0.147059  2.65695  0.178381  
1 1 1 69 2  3  o 3.20369  0.0986399 10.3214      0.632024 10.3266      0.899754 10.3163      0.887995 3.19519  0.140798  3.19405  0.139007  
1 1 1 69 2  4  o 2.30688  0.130121  5.37425      0.600346 5.17884      0.868658 5.55294      0.830652 2.25135  0.19292   2.33497  0.177872  
1 1 1 69 2  5  o 1.46463  0.19146   2.19155      0.560836 2.48076      0.821506 1.93909      0.767526 1.51867  0.281043  1.33445  0.295427  
1 1 1 69 2  6  o 2.90863  0.105269  8.51648      0.612376 7.95235      0.891563 9.02032      0.842573 2.79865  0.159284  2.98551  0.141111  
1 1 1 69 2  7  o 1.52938  0.185512  2.38843      0.567434 2.04128      0.831529 2.69097      0.776263 1.36358  0.311586  1.61173  0.240817  
1 1 1 69 2  8  o 3.25707  0.102093  10.6784      0.665048 10.645       0.983361 10.7066      0.90283  3.23892  0.151804  3.25215  0.138805  
1 1 1 69 2  9  o 3.00238  0.107361  9.0826       0.644678 9.36074      0.955726 8.85038      0.873269 3.0348   0.157461  2.95373  0.147825  
1 1 1 69 2  10 o 0.949433 0.28495   0.967591     0.583969 0.971326     0.862808 0.964434     0.793279 0.987777 0.349038  0.973981 0.335588  
1 1 1 69 2  11 o 2.14187  0.145406  4.65951      0.62288  4.09204      0.871028 5.25342      0.891086 1.98796  0.219075  2.25983  0.197157  
1 1 1 69 2  12 o 2.04258  0.15945   4.25201      0.651378 3.93746      0.902161 4.59457      0.941473 1.94532  0.23188   2.10422  0.223711  
1 1 1 69 2  13 o 2.73409  0.125553  7.56529      0.686546 7.49955      0.950724 7.63693      0.992467 2.70677  0.17562   2.72919  0.181825  
1 1 1 69 2  14 o 1.53246  0.21551   2.43648      0.660518 2.48262      0.912289 2.38564      0.957583 1.49281  0.315325  1.45452  0.335737  
1 1 1 69 2  15 o 1.9439   0.171183  3.87586      0.665527 3.90909      0.968898 3.84618      0.915745 1.92448  0.25173   1.9138   0.239248  
1 1 1 69 2  16 o 1.78776  0.189835  3.30274      0.678756 3.50237      0.951398 3.09581      0.968648 1.8146   0.262151  1.67069  0.300867  
1 1 1 69 2  17 o 2.97982  0.125737  9.02827      0.749349 8.78062      1.06546  9.27068      1.05411  2.91206  0.182939  2.99609  0.175914  
1 1 1 69 2  18 o 1.03477  0.311617  1.22138      0.697594 1.21096      0.996886 1.23138      0.976521 1.0463   0.374627  1.05001  0.371297  
1 1 1 69 2  19 o 1.01015  0.321159  1.16604      0.728502 1.14536      1.05566  1.18485      1.0066   1.02905  0.383321  1.03459  0.375848  
1 1 1 69 2  20 o 1.10755  0.321179  1.44506      0.752814 0.105776     1.10597  2.60133      1.02763  0.807279 0.355021  1.46637  0.353922  
1 1 1 69 2  21 o 2.20857  0.179795  5.1249       0.794182 5.84764      1.09271  4.31564      1.15627  2.31912  0.235588  1.94682  0.296962  
1 1 1 69 2  22 o 2.82027  0.154975  8.30094      0.87414  8.29484      1.20057  8.30782      1.27525  2.76392  0.217186  2.75103  0.231777  
1 1 1 69 2  23 o 2.2016   0.208952  5.25657      0.920055 5.88488      1.26893  4.56013      1.33596  2.25966  0.280779  1.89075  0.366367  
1 1 1 69 2  24 o 1.07267  0.357262  1.55214      0.898031 1.74641      1.21025  1.31412      1.33959  1.09774  0.410125  1.00192  0.413299  
1 1 1 69 2  25 o 1.20991  0.347714  2.02875      0.886249 2.1242       1.2595   1.93514      1.24728  1.15011  0.420163  1.10584  0.415719  
1 1 1 69 2  26 o 0.668707 0.304176  0.00945392   0.893105 0.0679258    1.24462  -0.0526116   1.2823   0.755123 0.349147  0.746965 0.34882   
1 1 1 69 2  27 o 0.901843 0.365668  1.32088      1.03034  2.19522      1.47343  0.484227     1.44134  1.02367  0.428561  0.784103 0.367239  
1 1 1 69 2  28 o 0.774222 0.3404    0.725961     1.01624  2.20929      1.43298  -0.774884    1.44142  1.01939  0.424431  0.664057 0.324809  
1 1 1 69 2  29 o 0.78171  0.34564   1.13397      1.06527  1.39244      1.51191  0.879148     1.50118  0.78941  0.370931  0.741    0.355109  
1 1 1 69 3  0  o 2.22799  0.208029  5.15325      0.908399 5.15325      0.908399 5.15325      0.908399 2.24963  0.144121  ?        ?         
1 1 1 69 3  1  o 2.52704  0.127419  6.447        0.643986 5.57356      0.880017 7.45401      0.944909 2.33653  0.188317  2.70599  0.174596  
1 1 1 69 3  2  o 2.74592  0.110854  7.5949       0.608795 7.22806      0.84697  7.98703      0.875681 2.66868  0.158687  2.80598  0.156039  
1 1 1 69 3  3  o 1.79108  0.16402   3.25947      0.587547 3.42121      0.824102 3.09227      0.837903 1.82199  0.226154  1.72838  0.242396  
1 1 1 69 3  4  o 2.77062  0.113044  7.73553      0.626402 8.11262      0.90227  7.38467      0.870325 2.82651  0.159609  2.69625  0.161395  
1 1 1 69 3  5  o 1.84405  0.155361  3.45085      0.57299  3.14461      0.843913 3.71278      0.780462 1.74201  0.242224  1.90228  0.205138  
1 1 1 69 3  6  o 4.03199  0.0862914 16.3326      0.695852 16.535       1.03992  16.1684      0.93637  4.04526  0.128536  4.00374  0.116937  
1 1 1 69 3  7  o 3.63841  0.0912749 13.309       0.664191 14.3752      0.96256  12.34        0.917664 3.77161  0.127606  3.49336  0.131344  
1 1 1 69 3  8  o 3.12078  0.106712  9.81314      0.666047 10.3856      0.948221 9.25566      0.935769 3.19929  0.148192  3.0182   0.155021  
1 1 1 69 3  9  o 3.62203  0.0973515 13.2062      0.70522  13.0355      1.01224  13.3673      0.983062 3.58555  0.141156  3.63292  0.135299  
1 1 1 69 3  10 o 1.30837  0.243732  1.83789      0.614009 0.881382     0.87011  2.78665      0.866581 0.959391 0.349349  1.62714  0.26629   
1 1 1 69 3  11 o 2.07034  0.15592   4.36479      0.645616 3.73037      0.872918 5.1309       0.959255 1.89393  0.230451  2.2266   0.215408  
1 1 1 69 3  12 o 2.04148  0.16068   4.24976      0.65605  4.69167      0.910386 3.77235      0.946241 2.12915  0.213791  1.8977   0.249313  
1 1 1 69 3  13 o 1.57397  0.206067  2.56091      0.648686 2.97846      0.89828  2.10586      0.937754 1.67877  0.267542  1.36311  0.3438    
1 1 1 69 3  14 o 1.98874  0.169564  4.05453      0.674437 4.10472      0.930369 3.99893      0.97909  1.97891  0.235071  1.9468   0.251461  
1 1 1 69 3  15 o 0.591316 0.263679  -0.183537    0.635475 -0.0742184   0.911057 -0.287119    0.886828 0.732671 0.322216  0.684075 0.308038  
1 1 1 69 3  16 o 1.5713   0.214489  2.58537      0.674054 3.19246      0.984738 2.05016      0.924613 1.69033  0.302192  1.32892  0.344936  
1 1 1 69 3  17 o 2.56479  0.142681  6.73119      0.731892 7.36223      1.07525  6.18643      0.999046 2.65155  0.202759  2.42904  0.205646  
1 1 1 69 3  18 o 0.752096 0.302761  0.396479     0.699218 0.464096     1.00737  0.333617     0.9713   0.85743  0.356359  0.819464 0.345736  
1 1 1 69 3  19 o 0.563761 0.26142   -0.461909    0.704269 -0.48612     0.999466 -0.438033    0.992543 0.681553 0.314269  0.686102 0.315065  
1 1 1 69 3  20 o 1.0758   0.32832   1.38045      0.770948 2.26812      1.1172   0.573456     1.06523  1.33427  0.392666  0.880071 0.366151  
1 1 1 69 3  21 o 2.26025  0.179339  5.38649      0.810705 5.01595      1.08823  5.84859      1.21528  2.12416  0.256156  2.28476  0.265953  
1 1 1 69 3  22 o 1.34325  0.304319  2.17663      0.798753 3.44196      1.1229   0.88059      1.13644  1.65759  0.349615  0.932614 0.382006  
1 1 1 69 3  23 o 2.41209  0.185265  6.23581      0.89375  6.47704      1.25212  5.98525      1.27612  2.37822  0.263248  2.26547  0.281646  
1 1 1 69 3  24 o 0.765945 0.327661  0.451571     0.893279 0.507664     1.2311   0.389203     1.29814  0.836608 0.37053   0.828862 0.372992  
1 1 1 69 3  25 o 0.762474 0.327385  0.481811     0.897565 -0.0875876   1.26708  1.0553       1.27162  0.747487 0.348163  0.916424 0.391451  
1 1 1 69 3  26 o 0.796742 0.340151  0.750068     0.959284 0.30075      1.43544  1.11268      1.28952  0.784866 0.367399  0.883025 0.385868  
1 1 1 69 3  27 o 1.09479  0.384246  2.14549      1.04408  2.96586      1.46979  1.30985      1.4834   1.14668  0.445982  0.868663 0.394298  
1 1 1 69 3  28 o 0.708123 0.324677  0.383495     1.04953  -0.781186    1.50469  1.48702      1.46465  0.660066 0.325127  0.874444 0.394699  
1 1 1 69 4  0  o 0.893267 0.417104  1.22242      0.825114 1.22242      0.825114 1.22242      0.825114 0.953736 0.337219  ?        ?         
1 1 1 69 4  1  f 2.08776  0.148078  4.41728      0.618305 3.61476      0.869756 5.23724      0.87915  1.87031  0.232517  2.2623   0.194305  
1 1 1 69 4  2  o 3.69955  0.0915758 13.7573      0.677578 13.522       0.986451 13.9675      0.93232  3.65662  0.134885  3.71922  0.125338  
1 1 1 69 4  3  o 1.30243  0.240817  1.80783      0.603688 1.81735      0.850584 1.79817      0.856938 1.28108  0.330026  1.27388  0.332738  
1 1 1 69 4  4  o 3.76342  0.0904514 14.2363      0.680813 14.0998      0.987768 14.3597      0.939662 3.73425  0.132258  3.77085  0.124595  
1 1 1 69 4  5  o 2.23581  0.131916  5.05473      0.589875 4.68619      0.888356 5.34537      0.788893 2.13506  0.208041  2.29012  0.172238  
1 1 1 69 4  6  o 2.43149  0.11757   5.96599      0.571739 7.34851      0.850501 4.82609      0.772272 2.68866  0.158165  2.17427  0.177593  
1 1 1 69 4  7  o 2.76762  0.113859  7.72746      0.630236 8.01454      0.888153 7.43628      0.894456 2.80713  0.158196  2.70182  0.165528  
1 1 1 69 4  8  o 3.16063  0.108475  10.0737      0.685702 10.9566      0.963066 9.16601      0.976532 3.28497  0.146587  2.9993   0.162793  
1 1 1 69 4  9  o 4.2942   0.0911448 18.5544      0.782788 17.7741      1.11586  19.3104      1.09841  4.18841  0.133208  4.36878  0.125711  
1 1 1 69 4  10 o 1.48027  0.210469  2.26439      0.6231   0.475988     0.876344 4.09295      0.88613  0.847859 0.339926  1.98618  0.223074  
1 1 1 69 4  11 o 1.92357  0.1678    3.77969      0.645551 3.25039      0.873961 4.41523      0.957665 1.76193  0.248012  2.05911  0.232543  
1 1 1 69 4  12 f 2.34522  0.140873  5.58618      0.660755 4.75262      0.908442 6.52253      0.962824 2.14237  0.212018  2.51785  0.191199  
1 1 1 69 4  13 o 1.27491  0.257842  1.77232      0.634467 1.96729      0.877069 1.55829      0.918939 1.31608  0.332821  1.17211  0.358598  
1 1 1 69 4  14 o 2.62959  0.132656  7.0223       0.697665 7.04616      0.980808 6.99786      0.992592 2.61401  0.187606  2.60377  0.190607  
1 1 1 69 4  15 o 1.59154  0.215787  2.65006      0.686869 2.85825      0.965131 2.43639      0.97775  1.59371  0.313976  1.45424  0.341606  
1 1 1 69 4  16 o 0.870805 0.307581  0.780039     0.669957 0.624398     0.974941 0.919292     0.922185 0.89206  0.358168  0.958108 0.357995  
1 1 1 69 4  17 o 1.33754  0.266598  1.99592      0.687895 1.39506      1.00074  2.53413      0.94713  1.09798  0.377059  1.47509  0.329446  
1 1 1 69 4  18 o 2.55033  0.14888   6.68767      0.759384 6.78146      1.07448  6.59407      1.07338  2.53235  0.212151  2.49522  0.215087  
1 1 1 69 4  19 o 0.973549 0.316617  1.08802      0.705318 0.112562     0.972313 2.17139      1.02469  0.767342 0.335192  1.32424  0.371761  
1 1 1 69 4  20 o 1.03012  0.326437  1.26778      0.753101 0.91731      1.02901  1.67204      1.10516  0.943539 0.371669  1.14718  0.39602   
1 1 1 69 4  21 o 1.03193  0.33367   1.31089      0.783942 1.20856      1.05043  1.43952      1.17779  1.00358  0.380376  1.06665  0.403216  
1 1 1 69 4  22 o 1.63738  0.26226   3.03844      0.85884  2.78017      1.298    3.23957      1.14543  1.39931  0.425806  1.58196  0.368533  
1 1 1 69 4  23 o 0.912253 0.345939  1.019        0.869214 0.238239     1.22224  1.81795      1.23639  0.804778 0.362052  1.11381  0.414848  
1 1 1 69 4  24 o 0.817848 0.348298  0.65446      1.00139  2.15002      1.51344  -0.510188    1.33555  1.1221   0.447971  0.718326 0.341663  
1 1 1 69 4  25 o 1.20044  0.370234  2.12808      0.976879 1.10817      1.40496  3.08263      1.3592   0.923022 0.403063  1.34936  0.439525  
1 1 1 69 4  26 o 0.928964 0.366133  1.40581      0.999102 1.00975      1.39645  1.82116      1.43004  0.850014 0.384443  0.971634 0.415079  
1 1 1 69 4  27 o 0.823975 0.347196  1.00183      0.977468 1.75956      1.50746  0.452116     1.28397  0.933582 0.412188  0.756108 0.35152   
1 1 1 69 4  28 o 0.728196 0.333072  0.712166     1.09706  -0.418434    1.67727  1.5575       1.45031  0.670696 0.332454  0.82999  0.38102   
1 1 1 69 5  0  o 1.3429   0.36454   2.21464      0.844788 2.21464      0.844788 2.21464      0.844788 1.42733  0.226347  ?        ?         
1 1 1 69 5  1  o 2.34744  0.130926  5.57116      0.614682 6.07131      0.860811 5.0508       0.878026 2.43955  0.176429  2.21947  0.197801  
1 1 1 69 5  2  o 2.31711  0.128847  5.42666      0.597105 5.04359      0.830395 5.83677      0.859212 2.22066  0.18697   2.39094  0.179681  
1 1 1 69 5  3  o 0.869399 0.281249  0.781916     0.556923 1.59215      0.828831 0.114964     0.751981 1.19895  0.333625  0.718138 0.303656  
1 1 1 69 5  4  o 1.23692  0.241169  1.63764      0.575329 3.68556      0.875385 0.0803816    0.76335  1.88622  0.232048  0.714343 0.304153  
1 1 1 69 5  5  o 1.58792  0.181006  2.57784      0.574846 2.94973      0.866024 2.28494      0.76858  1.67982  0.257773  1.45403  0.274322  
1 1 1 69 5  6  o 1.61057  0.179223  2.6528       0.577302 2.1417       0.840525 3.10922      0.794293 1.39258  0.309885  1.73147  0.22937   
1 1 1 69 5  7  o 2.58732  0.124787  6.77104      0.645728 6.54088      0.913347 7.00106      0.913049 2.5274   0.180689  2.61688  0.174454  
1 1 1 69 5  8  o 0.825464 0.291399  0.657254     0.601243 -0.167986    0.883859 1.36802      0.820269 0.709869 0.314233  1.1129   0.338464  
1 1 1 69 5  9  o 5.54317  0.0890949 30.9112      0.987735 31.0664      1.40391  30.759       1.38993  5.54016  0.126703  5.51301  0.126059  
1 1 1 69 5  10 o 3.50931  0.10745   12.424       0.754152 12.5829      1.07994  12.2728      1.05361  3.51563  0.153592  3.47278  0.151695  
1 1 1 69 5  11 o 2.04984  0.166094  4.29367      0.680931 3.34103      0.949737 5.30137      0.976797 1.7783   0.267036  2.26105  0.216005  
1 1 1 69 5  12 o 3.17105  0.114331  10.1699      0.7251   10.8733      1.01652  9.44115      1.03461  3.26337  0.155747  3.03469  0.170464  
1 1 1 69 5  13 o 3.34404  0.113233  11.3091      0.757312 11.8301      1.07044  10.787       1.07156  3.40247  0.157303  3.24548  0.165085  
1 1 1 69 5  14 f 2.92529  0.125311  8.6876       0.73314  8.22677      1.04502  9.13424      1.02881  2.82187  0.185164  2.97969  0.172636  
1 1 1 69 5  15 o 1.21429  0.280024  1.65418      0.666638 1.23315      0.953174 2.05732      0.932698 1.05497  0.367435  1.32544  0.347566  
1 1 1 69 5  16 o 1.07466  0.299148  1.31995      0.666261 0.567185     0.944097 2.06681      0.940384 0.866843 0.350625  1.32025  0.350284  
1 1 1 69 5  17 o 2.75146  0.141111  7.75887      0.776522 8.38289      1.05436  7.01918      1.14793  2.83464  0.185978  2.57041  0.223297  
1 1 1 69 5  18 o 2.129    0.177278  4.72462      0.754849 4.593        1.01308  4.88888      1.13179  2.06048  0.245837  2.11074  0.268101  
1 1 1 69 5  19 o 1.22092  0.304298  1.75948      0.74125  1.67643      1.03194  1.84801      1.06543  1.15798  0.382974  1.20773  0.388837  
1 1 1 69 5  20 o 0.958263 0.331939  1.08284      0.777004 1.80496      1.03666  0.157074     1.17377  1.17883  0.383848  0.813722 0.360918  
1 1 1 69 5  21 o 0.983051 0.329841  1.17913      0.765465 1.13194      1.02287  1.2392       1.15402  0.978191 0.374004  1.01309  0.394944  
1 1 1 69 5  22 o 1.16088  0.336211  1.73466      0.82545  2.85891      1.19596  0.711869     1.14072  1.4302   0.401671  0.882371 0.373593  
1 1 1 69 5  23 o 1.36727  0.344208  2.50282      0.941296 3.4753       1.39703  1.69425      1.27387  1.4891   0.439373  1.06341  0.414867  
1 1 1 69 5  24 o 0.928826 0.359354  1.16838      0.951643 1.49594      1.4743   0.934421     1.24598  0.998116 0.423766  0.893637 0.384768  
1 1 1 69 5  25 o 0.919885 0.371948  1.28698      1.06189  1.18139      1.42625  1.41833      1.59064  0.902873 0.399483  0.93732  0.417591  
1 1 1 69 5  26 f 0.758054 0.335947  0.645771     1.01412  0.849446     1.46026  0.456018     1.40946  0.816294 0.377718  0.768215 0.360398  
1 1 1 69 5  27 o 1.1288   0.381148  2.26256      1.02213  3.34256      1.64233  1.57976      1.30585  1.14727  0.463109  0.907199 0.392292  
1 1 1 69 6  0  o 1.08012  0.413131  1.646        0.838039 1.646        0.838039 1.646        0.838039 1.17748  0.290989  ?        ?         
1 1 1 69 6  1  o 3.85701  0.0905897 14.96        0.698812 15.226       0.99325  14.6992      0.983362 3.88039  0.127983  3.81234  0.128971  
1 1 1 69 6  2  o 1.78397  0.159203  3.23819      0.568025 2.67675      0.810994 3.77885      0.795837 1.60105  0.25327   1.91563  0.207722  
1 1 1 69 6  3  o 4.03412  0.0865488 16.3595      0.698296 16.6915      1.03966  16.0867      0.942545 4.0623   0.127964  3.99139  0.118072  
1 1 1 69 6  4  o 1.11361  0.257753  1.3469       0.563172 1.709        0.823035 1.02808      0.772276 1.23804  0.327349  0.991225 0.331305  
1 1 1 69 6  5  o 3.59756  0.0993865 13.0368      0.715097 13.2847      1.04836  12.8212      0.977914 3.61699  0.144921  3.55602  0.137501  
1 1 1 69 6  6  o 1.11533  0.271552  1.36178      0.600916 1.53824      0.885997 1.21145      0.817747 1.1742   0.350698  1.05804  0.340656  
1 1 1 69 6  7  o 1.01421  0.28102   1.12465      0.589299 0.895784     0.845501 1.34085      0.821793 0.958222 0.34482   1.10291  0.339459  
1 1 1 69 6  8  o 3.00494  0.112801  9.11697      0.677924 8.98168      0.952875 9.25564      0.964691 2.968    0.160525  3.01308  0.160084  
1 1 1 69 6  9  o 3.68948  0.112759  13.7451      0.832042 13.6676      1.18971  13.8192      1.16408  3.66001  0.162529  3.68224  0.158066  
1 1 1 69 6  10 o 2.70504  0.134807  7.42411      0.729319 6.92471      1.12055  7.79115      0.960642 2.58313  0.216898  2.75787  0.174164  
1 1 1 69 6  11 o 2.27117  0.155339  5.26691      0.705603 4.75057      1.10309  5.62449      0.917971 2.11801  0.260407  2.33265  0.196766  
1 1 1 69 6  12 o 2.76645  0.13408   7.77465      0.74185  6.60485      1.11381  8.70737      0.994556 2.51608  0.221339  2.91355  0.170678  
1 1 1 69 6  13 o 3.43201  0.112865  11.9226      0.774703 13.0152      1.19101  11.1213      1.01996  3.56033  0.167261  3.29734  0.154664  
1 1 1 69 6  14 o 2.46638  0.149743  6.22865      0.738646 5.82405      1.09425  6.56733      1.00115  2.34624  0.233192  2.51001  0.199433  
1 1 1 69 6  15 o 4.35256  0.103656  19.1822      0.90234  20.8007      1.24397  17.385       1.31085  4.51101  0.137882  4.10897  0.159511  
1 1 1 69 6  16 o 1.31293  0.262551  1.92196      0.665059 2.47285      0.935907 1.36004      0.945233 1.45498  0.32926   1.08311  0.366531  
1 1 1 69 6  17 f 1.67192  0.217642  2.96937      0.72776  3.07868      0.997865 2.84516      1.0637   1.63061  0.317303  1.54147  0.352532  
1 1 1 69 6  18 f 0.960956 0.31948   1.06013      0.718134 0.660957     0.969984 1.54432      1.06831  0.879958 0.355618  1.12306  0.389201  
1 1 1 69 6  19 o 0.630409 0.28339   -0.148374    0.747397 0.274371     1.02397  -0.6304      1.09341  0.800854 0.346857  0.682029 0.319508  
1 1 1 69 6  20 o 1.65966  0.232166  3.0285       0.770635 2.40787      1.05157  3.74849      1.13262  1.3576   0.375084  1.74786  0.335991  
1 1 1 69 6  21 o 0.601446 0.277597  -0.349261    0.782248 0.866331     1.08109  -1.68509     1.13329  0.915916 0.373446  0.580464 0.28504   
1 1 1 69 6  22 o 1.40679  0.320728  2.5165       0.882673 1.73707      1.32236  3.14285      1.18542  1.08608  0.422898  1.49535  0.391702  
1 1 1 69 6  23 o 1.33961  0.354596  2.48975      0.965083 1.22616      1.49244  3.39787      1.26521  0.960735 0.417464  1.49994  0.410114  
1 1 1 69 6  24 o 0.725893 0.328992  0.161068     1.02794  1.05742      1.51905  -0.596132    1.39616  0.921144 0.409319  0.714188 0.342309  
1 1 1 69 6  25 o 0.686248 0.317802  0.0920366    1.03645  0.506952     1.53485  -0.255762    1.40524  0.800173 0.375517  0.71145  0.341581  
1 1 1 69 6  26 o 0.960087 0.374065  1.62402      1.03492  1.98817      1.59023  1.35647      1.36308  0.95675  0.422764  0.879767 0.389735  
1 1 1 69 6  27 o 1.29046  0.377309  2.96903      1.03478  4.09543      1.60647  2.17026      1.35281  1.22296  0.468383  0.950947 0.404898  
1 1 1 69 7  0  o 1.98868  0.210653  4.14795      0.816339 4.14795      0.816339 4.14795      0.816339 2.01358  0.145067  ?        ?         
1 1 1 69 7  1  o 0.835526 0.286569  0.695864     0.577889 0.320569     0.837512 1.03693      0.798406 0.797275 0.327484  0.996652 0.336863  
1 1 1 69 7  2  o 1.03266  0.273273  1.16581      0.573275 1.15254      0.84536  1.1771       0.78004  1.04086  0.346627  1.04304  0.332397  
1 1 1 69 7  3  f 0.468526 0.222468  -0.651285    0.564095 -0.689962    0.818583 -0.61631     0.778432 0.594128 0.277934  0.586614 0.273101  
1 1 1 69 7  4  o 0.805402 0.285239  0.619737     0.57651  0.821976     0.805893 0.407764     0.825061 0.927675 0.336367  0.814379 0.328447  
1 1 1 69 7  5  o 2.64786  0.121747  7.08948      0.644736 7.44963      0.918918 6.74028      0.904833 2.7001   0.170163  2.56633  0.176289  
1 1 1 69 7  6  o 3.00502  0.111359  9.11511      0.669272 9.42173      0.935085 8.79306      0.958329 3.04232  0.15368   2.93576  0.163217  
1 1 1 69 7  7  o 2.76714  0.114492  7.7338       0.633632 8.0396       0.901583 7.43534      0.890699 2.80786  0.160546  2.6988   0.165018  
1 1 1 69 7  8  o 1.57818  0.203988  2.57059      0.643861 1.9274       0.954416 3.10778      0.872237 1.30286  0.356186  1.72072  0.253451  
1 1 1 69 7  9  o 0.940341 0.298269  0.949324     0.628629 0.605409     0.980173 1.18963      0.819324 0.905742 0.360851  1.04625  0.341247  
1 1 1 69 7  10 o 1.16552  0.278724  1.50375      0.641902 1.57214      0.991979 1.45448      0.841936 1.17748  0.374803  1.1364   0.342366  
1 1 1 69 7  11 o 3.00728  0.123725  9.16603      0.74415  8.29035      1.10152  9.90119      1.00929  2.83227  0.194459  3.11058  0.162235  
1 1 1 69 7  12 o 2.02612  0.17235   4.22225      0.698404 3.65073      1.0411   4.6899       0.941743 1.84153  0.282672  2.11603  0.222526  
1 1 1 69 7  13 o 2.19044  0.163185  4.93361      0.714894 3.17224      1.0633   6.38661      0.965748 1.66592  0.330891  2.47783  0.194877  
1 1 1 69 7  14 o 2.60029  0.140037  6.91473      0.728274 8.20276      1.10348  5.92074      0.969375 2.80185  0.19692   2.37672  0.203931  
1 1 1 69 7  15 o 2.00114  0.179788  4.16362      0.719559 4.88757      1.03345  3.4824       1.00248  2.1355   0.241968  1.78172  0.281324  
1 1 1 69 7  16 o 1.9762   0.190201  4.08769      0.751748 3.98382      1.06086  4.19245      1.06541  1.90245  0.278815  1.95571  0.272385  
1 1 1 69 7  17 o 2.77961  0.135593  7.92763      0.753792 6.86538      1.00615  9.2866       1.13803  2.55082  0.197222  2.97115  0.191514  
1 1 1 69 7  18 o 1.27327  0.304992  1.91997      0.76762  1.04707      1.03829  2.97221      1.13998  0.977201 0.375918  1.53639  0.37399   
1 1 1 69 7  19 f 2.0285   0.19077   4.38569      0.773953 3.60133      1.02774  5.41322      1.17631  1.76705  0.290807  2.18767  0.26885   
1 1 1 69 7  20 o 1.00275  0.329268  1.23816      0.76281  1.96635      1.02305  0.326456     1.14473  1.21689  0.379607  0.826167 0.362269  
1 1 1 69 7  21 o 0.768923 0.325465  0.4287       0.865332 0.0996605    1.33523  0.666975     1.13624  0.815254 0.371126  0.868714 0.370516  
1 1 1 69 7  22 o 1.17385  0.358406  1.92075      0.918577 1.23976      1.35146  2.5055       1.25233  0.969118 0.408296  1.26523  0.421891  
1 1 1 69 7  23 o 0.570392 0.27765   -1.10979     1.01197  -0.516388    1.4691   -1.64559     1.39597  0.741502 0.354372  0.633993 0.31227   
1 1 1 69 7  24 o 0.649072 0.304523  -0.224051    1.00686  0.649813     1.51153  -0.921083    1.34996  0.836376 0.385971  0.658272 0.320473  
1 1 1 69 7  25 o 0.735243 0.328077  0.528435     0.985255 0.613439     1.60246  0.47677      1.24929  0.79952  0.377482  0.756929 0.349912  
1 1 1 69 7  26 o 0.790589 0.346673  0.852597     1.04831  1.87257      1.604    0.0920812    1.38505  0.930066 0.41671   0.721865 0.344771  
1 1 1 69 7  27 o 0.639074 0.306766  0.0320866    1.13185  0.505726     1.56069  -0.493406    1.64391  0.711635 0.345899  0.652025 0.324131  
1 1 1 69 8  0  o 1.54928  0.29725   2.71284      0.821846 2.71284      0.821846 2.71284      0.821846 1.60559  0.186705  ?        ?         
1 1 1 69 8  1  o 1.8997   0.155884  3.67502      0.592264 3.52327      0.845415 3.82127      0.829973 1.84077  0.229636  1.92128  0.215995  
1 1 1 69 8  2  o 4.00511  0.0918073 16.143       0.735395 16.7104      1.07626  15.6462      1.00718  4.06096  0.132513  3.93121  0.128101  
1 1 1 69 8  3  o 0.471186 0.223544  -0.64976     0.568505 0.0846829    0.818498 -1.33434     0.790222 0.734291 0.313867  0.50061  0.24398   
1 1 1 69 8  4  o 4.26259  0.0895855 18.2807      0.763733 18.9487      1.05796  17.5537      1.10365  4.32844  0.12221   4.16193  0.132589  
1 1 1 69 8  5  o 2.59391  0.124736  6.80848      0.647108 7.76201      0.915383 5.85592      0.914916 2.75708  0.166006  2.38654  0.191683  
1 1 1 69 8  6  o 1.42373  0.213248  2.09799      0.607214 2.23192      0.885007 1.97887      0.834664 1.41433  0.320265  1.33136  0.31748   
1 1 1 69 8  7  o 2.23414  0.140022  5.07007      0.62566  5.13614      0.983357 5.02513      0.810982 2.22303  0.221175  2.21201  0.183313  
1 1 1 69 8  8  o 1.83132  0.171005  3.43751      0.62633  2.39144      0.964667 4.19986      0.823515 1.45196  0.338179  2.01382  0.204466  
1 1 1 69 8  9  o 1.83358  0.165231  3.44259      0.605929 3.40416      0.85316  3.4817       0.860717 1.80128  0.23682   1.8219   0.236214  
1 1 1 69 8  10 o 2.03558  0.154817  4.23161      0.630283 4.01223      0.902507 4.44047      0.880607 1.95732  0.230546  2.06592  0.213127  
1 1 1 69 8  11 o 2.20787  0.148895  4.97982      0.657479 5.47194      0.937137 4.50278      0.922663 2.29328  0.204322  2.0728   0.222564  
1 1 1 69 8  12 o 1.93322  0.17072   3.85329      0.66008  3.97868      0.927295 3.72449      0.93982  1.93656  0.239419  1.86811  0.251543  
1 1 1 69 8  13 o 1.69848  0.197588  3.01461      0.671199 2.61876      0.945925 3.41602      0.952547 1.50705  0.323168  1.77597  0.268176  
1 1 1 69 8  14 f 0.802825 0.30341   0.593409     0.666748 0.894368     0.906194 0.238178     0.984517 0.94229  0.354324  0.804039 0.343973  
1 1 1 69 8  15 o 0.582123 0.263862  -0.25004     0.661412 -0.715294    0.906545 0.2795       0.967149 0.614811 0.28854   0.804372 0.342417  
1 1 1 69 8  16 o 1.50645  0.243206  2.45505      0.732753 2.22244      1.04286  2.68186      1.0298   1.33982  0.374691  1.49137  0.350743  
1 1 1 69 8  17 o 1.39897  0.282471  2.25201      0.762658 2.85008      1.12071  1.73614      1.04084  1.50833  0.373091  1.17408  0.384621  
1 1 1 69 8  18 o 0.97036  0.332049  1.11819      0.775748 1.23434      1.11839  1.01049      1.07693  1.02012  0.390775  0.962767 0.379913  
1 1 1 69 8  19 o 2.51766  0.165708  6.66562      0.834391 5.4549       1.15094  8.00686      1.21139  2.19928  0.261663  2.70595  0.223838  
1 1 1 69 8  20 o 1.45209  0.287699  2.51269      0.805818 1.8934       1.13575  3.14044      1.14349  1.16853  0.40165   1.54197  0.374077  
1 1 1 69 8  21 o 1.42252  0.319572  2.58137      0.886928 3.7254       1.37008  1.7561       1.16366  1.58275  0.424121  1.0957   0.403512  
1 1 1 69 8  22 o 0.903924 0.361278  1.05421      0.985513 0.967095     1.38386  1.14386      1.40381  0.913144 0.399375  0.942328 0.407101  
1 1 1 69 8  23 o 0.578968 0.281948  -1.09909     1.04776  -0.572689    1.56785  -1.52388     1.40844  0.747031 0.359184  0.640427 0.315467  
1 1 1 69 8  24 o 1.21905  0.371992  2.40038      0.989727 4.1116       1.55819  1.24306      1.28143  1.41072  0.470599  0.883758 0.385435  
1 1 1 69 8  25 o 1.18442  0.374031  2.35918      0.989349 1.73848      1.57208  2.76622      1.27306  0.923592 0.413208  1.17696  0.423158  
1 1 1 69 8  26 f 0.482044 0.242297  -1.82467     1.02503  -0.117235    1.58192  -3.06037     1.34576  0.695865 0.340344  0.498037 0.253659  
1 1 1 69 9  0  o 1.21841  0.398113  1.96138      0.856284 1.96138      0.856284 1.96138      0.856284 1.31865  0.258091  ?        ?         
1 1 1 69 9  1  o 3.05309  0.106788  9.40282      0.652069 9.4357       0.928337 9.37079      0.916114 3.04473  0.15245   3.03476  0.150937  
1 1 1 69 9  2  o 3.73269  0.0941228 14.0278      0.702663 12.8517      1.00378  15.1578      0.98395  3.55781  0.141067  3.86934  0.127147  
1 1 1 69 9  3  o 3.65733  0.0946062 13.4683      0.692012 14.1452      0.94547  12.6872      1.0156   3.73803  0.126466  3.53389  0.143694  
1 1 1 69 9  4  o 2.20758  0.141549  4.94994      0.624962 4.52429      0.853004 5.4432       0.918259 2.09324  0.203753  2.29737  0.19985   
1 1 1 69 9  5  f 0.936027 0.287684  0.945609     0.590512 0.863967     0.824631 1.03154      0.845998 0.941265 0.340357  0.997341 0.346277  
1 1 1 69 9  6  o 1.8892   0.165812  3.65236      0.626503 1.59354      0.999127 4.98641      0.804262 1.18637  0.376001  2.20216  0.182607  
1 1 1 69 9  7  o 2.11749  0.150222  4.57237      0.636189 6.47831      1.00535  3.29941      0.821618 2.50153  0.200947  1.7754   0.23139   
1 1 1 69 9  8  f 2.132    0.144913  4.62956      0.617911 4.69115      0.892258 4.5728       0.856552 2.12497  0.209946  2.10022  0.20392   
1 1 1 69 9  9  o 3.78907  0.097103  14.481       0.735861 13.304       1.00812  15.8233      1.07657  3.6154   0.139421  3.94433  0.136471  
1 1 1 69 9  10 o 2.37013  0.13402   5.71821      0.63529  4.93563      0.901522 6.49016      0.895381 2.17578  0.207172  2.50825  0.178488  
1 1 1 69 9  11 o 0.694606 0.281404  0.289831     0.609477 0.501499     0.883173 0.0973707    0.84215  0.840345 0.339446  0.734038 0.316192  
1 1 1 69 9  12 o 0.81651  0.305975  0.621563     0.674616 0.376652     0.904615 0.92843      1.01259  0.813166 0.337811  0.972444 0.372029  
1 1 1 69 9  13 o 0.730036 0.29726   0.334898     0.68406  0.608657     0.965256 0.0586834    0.969573 0.880043 0.355122  0.764804 0.334396  
1 1 1 69 9  14 o 3.43462  0.114566  11.9929      0.786985 13.0564      1.07781  10.7783      1.15181  3.56189  0.151297  3.21815  0.178955  
1 1 1 69 9  15 o 0.563327 0.259145  -0.376793    0.674776 -0.777472    0.921178 0.0871366    0.991223 0.610361 0.287594  0.770437 0.337474  
1 1 1 69 9  16 o 2.1389   0.168282  4.77087      0.71988  3.57916      0.954217 6.3451       1.09672  1.79888  0.265226  2.42729  0.225915  
1 1 1 69 9  17 o 0.884688 0.317278  0.868344     0.715291 1.47319      0.999042 0.232162     1.02459  1.08541  0.37635   0.79153  0.344936  
1 1 1 69 9  18 o 2.75105  0.15422   7.90129      0.848534 7.38533      1.19876  8.4194       1.20126  2.59281  0.23117   2.7846   0.215698  
1 1 1 69 9  19 o 1.43503  0.281646  2.42646      0.779528 2.16323      1.09236  2.69961      1.11276  1.26187  0.391979  1.42369  0.382551  
1 1 1 69 9  20 o 1.85555  0.240337  3.8996       0.891916 2.70466      1.38965  4.73669      1.16309  1.31419  0.44442   1.99021  0.292203  
1 1 1 69 9  21 o 2.26484  0.238141  5.89669      1.07871  6.97097      1.54719  4.88056      1.50473  2.32429  0.332831  1.80684  0.42336   
1 1 1 69 9  22 o 0.697799 0.321247  -0.066743    1.03909  0.719175     1.52354  -0.750256    1.42082  0.88234  0.400178  0.708609 0.341006  
1 1 1 69 9  23 o 0.729936 0.324755  0.413796     0.959083 2.28707      1.57677  -0.686288    1.20831  1.05553  0.442686  0.642871 0.310571  
1 1 1 69 9  24 o 1.04546  0.370636  1.88199      0.973607 1.56328      1.52242  2.10253      1.26643  0.903621 0.40539   1.02563  0.409684  
1 1 1 69 9  25 o 0.622946 0.296177  -0.243045    1.00271  0.0600251    1.54001  -0.466087    1.32113  0.734683 0.353913  0.66083  0.320275  
1 1 1 69 9  26 f 1.16905  0.39184   2.81864      1.08028  3.94598      1.61765  1.91121      1.45133  1.11923  0.456658  0.854548 0.388454  
1 1 1 69 10 0  o 1.20396  0.410091  1.95774      0.883675 1.95774      0.883675 1.95774      0.883675 1.30922  0.270402  ?        ?         
1 1 1 69 10 1  o 2.76213  0.119121  7.71834      0.658057 7.26042      0.895738 8.25528      0.969954 2.66379  0.168132  2.8394   0.170803  
1 1 1 69 10 2  o 3.39691  0.10372   11.6423      0.704657 11.7216      0.982962 11.5584      1.01069  3.39426  0.144798  3.36843  0.150023  
1 1 1 69 10 3  o 1.67264  0.174095  2.86972      0.582396 2.46321      0.782903 3.37341      0.871461 1.50433  0.270019  1.79238  0.243101  
1 1 1 69 10 4  o 2.01588  0.14793   4.14144      0.596421 5.02283      0.812922 3.1139       0.877737 2.20888  0.184012  1.71651  0.255675  
1 1 1 69 10 5  o 2.9225   0.111346  8.63387      0.650818 8.79514      0.964108 8.49885      0.882137 2.93117  0.164458  2.88593  0.152834  
1 1 1 69 10 6  o 2.77399  0.122576  7.79687      0.680049 7.44157      1.08548  8.02643      0.872499 2.67988  0.202525  2.80332  0.155619  
1 1 1 69 10 7  o 1.30672  0.24102   1.84502      0.606247 1.68712      0.874874 1.99089      0.840864 1.2155   0.344248  1.32688  0.320084  
1 1 1 69 10 8  o 0.661612 0.273462  0.194347     0.588123 1.19652      0.839247 -0.772709    0.824413 1.04237  0.345371  0.580102 0.272966  
1 1 1 69 10 9  o 1.50324  0.211441  2.36384      0.635692 1.53994      0.870968 3.30307      0.929934 1.15614  0.3482    1.75542  0.264875  
1 1 1 69 10 10 o 0.88417  0.296374  0.835798     0.618015 0.511556     0.851276 1.19714      0.898658 0.833018 0.334591  1.03828  0.357237  
1 1 1 69 10 11 o 0.699744 0.288583  0.257987     0.65296  0.849348     0.876003 -0.48135     0.979491 0.927217 0.348428  0.680267 0.312638  
1 1 1 69 10 12 o 1.03608  0.303937  1.22805      0.670386 1.55873      0.879873 0.77045      1.03506  1.14893  0.350769  0.933662 0.371179  
1 1 1 69 10 13 o 1.00933  0.304268  1.1653       0.66485  1.33668      0.895426 0.954738     0.992533 1.07163  0.356744  0.968846 0.369002  
1 1 1 69 10 14 f 2.12385  0.170666  4.68856      0.72494  4.15604      0.973546 5.35135      1.0861   1.95805  0.248601  2.22497  0.244072  
1 1 1 69 10 15 o 1.14154  0.30583   1.53799      0.712495 1.54568      0.957469 1.52844      1.06658  1.1233   0.368896  1.11623  0.388688  
1 1 1 69 10 16 o 1.7254   0.209042  3.19012      0.721362 3.75585      0.999393 2.5748       1.04228  1.82842  0.273293  1.43041  0.363464  
1 1 1 69 10 17 o 0.798604 0.319928  0.571832     0.775404 1.50187      1.14426  -0.217887    1.05441  1.08164  0.399843  0.71952  0.328149  
1 1 1 69 10 18 o 1.81139  0.219658  3.58529      0.795774 1.90153      1.13992  5.18587      1.11141  1.18146  0.402512  2.14336  0.259267  
1 1 1 69 10 19 o 0.677849 0.296923  0.128674     0.767353 -0.372345    1.08409  0.631759     1.08632  0.692439 0.322337  0.854324 0.363267  
1 1 1 69 10 20 o 0.557206 0.27266   -1.34173     1.01855  -0.54721     1.45393  -2.10744     1.42734  0.747593 0.35601   0.618858 0.306741  
1 1 1 69 10 21 o 1.0283   0.375342  1.54176      1.00493  1.74677      1.435    1.34445      1.40776  1.04557  0.428934  0.973392 0.413705  
1 1 1 69 10 22 o 0.618071 0.290203  -0.352984    0.920846 -0.173179    1.52601  -0.45595     1.15479  0.767919 0.365233  0.66827  0.317782  
1 1 1 69 10 23 o 0.609693 0.287796  -0.289397    0.930497 -1.42639     1.49998  0.421838     1.18635  0.635664 0.31492   0.751442 0.344812  
1 1 1 69 10 24 f 0.920006 0.365571  1.4318       1.00356  1.95955      1.54321  1.04506      1.32105  0.959763 0.420738  0.835987 0.37623   
1 1 1 69 10 25 o 0.556726 0.272076  -0.722596    1.00567  -0.680943    1.51092  -0.755728    1.34754  0.646346 0.319204  0.618515 0.304614  
1 1 1 69 11 0  o 0.754299 0.408521  0.892294     0.85144  0.892294     0.85144  0.892294     0.85144  0.762293 0.356274  ?        ?         
1 1 1 69 11 1  o 2.89392  0.120353  8.48129      0.696585 8.40144      0.986904 8.56057      0.983345 2.86143  0.17245   2.88937  0.170166  
1 1 1 69 11 2  o 3.66685  0.0996989 13.5633      0.731161 13.4799      0.987934 13.6643      1.08722  3.64216  0.135625  3.66121  0.148478  
1 1 1 69 11 3  o 1.58916  0.196152  2.61105      0.623431 2.90877      0.828894 2.22328      0.945993 1.66048  0.249595  1.39542  0.341317  
1 1 1 69 11 4  o 2.64701  0.125739  7.10458      0.665663 6.14049      0.942611 8.0637       0.940174 2.43793  0.193322  2.80495  0.167592  
1 1 1 69 11 5  o 2.08377  0.149061  4.42996      0.621219 3.84373      0.890876 4.9848       0.866696 1.91384  0.232746  2.19398  0.197517  
1 1 1 69 11 6  o 2.14762  0.142363  4.70169      0.611486 4.98455      0.869485 4.42489      0.860133 2.19185  0.198345  2.06117  0.208652  
1 1 1 69 11 7  o 2.39196  0.139189  5.83406      0.665869 4.58705      0.937154 7.10546      0.946275 2.08941  0.224263  2.62292  0.180386  
1 1 1 69 11 8  o 1.5031   0.206182  2.36198      0.619822 2.50985      0.877243 2.21456      0.875881 1.49071  0.304763  1.38997  0.321264  
1 1 1 69 11 9  o 1.10278  0.287332  1.37753      0.640028 0.889512     0.828487 2.09988      1.00795  0.932626 0.340765  1.3261   0.367555  
1 1 1 69 11 10 o 1.95456  0.166284  3.94591      0.650025 4.08541      0.857337 3.75729      0.99692  1.96658  0.217977  1.86079  0.267875  
1 1 1 69 11 11 o 2.09451  0.163445  4.53151      0.684673 4.62804      0.909524 4.40527      1.04011  2.09128  0.217457  2.018    0.257708  
1 1 1 69 11 12 o 1.53196  0.220669  2.49273      0.676113 2.66049      0.883254 2.25531      1.05075  1.52637  0.300023  1.35852  0.37476   
1 1 1 69 11 13 o 1.7145   0.200131  3.09922      0.686248 2.56073      0.927355 3.75104      1.02029  1.47681  0.322862  1.84297  0.276806  
1 1 1 69 11 14 o 1.60866  0.218532  2.77199      0.703086 2.28038      0.939062 3.39912      1.06063  1.37073  0.343028  1.69879  0.323804  
1 1 1 69 11 15 o 0.660464 0.291597  -0.0152436   0.754389 0.28057      1.11331  -0.266378    1.02579  0.825645 0.359684  0.711191 0.324166  
1 1 1 69 11 16 o 1.77158  0.217744  3.4085       0.771503 2.96468      1.13732  3.78682      1.05004  1.51187  0.376996  1.81267  0.289638  
1 1 1 69 11 17 o 1.10687  0.326369  1.52503      0.771084 1.9479       1.11675  1.13974      1.06597  1.19931  0.398401  0.982057 0.380249  
1 1 1 69 11 18 o 0.837993 0.33486   0.711591     0.846412 0.350306     1.12227  1.18819      1.28899  0.815375 0.35811   0.994196 0.406969  
1 1 1 69 11 19 o 0.533357 0.260762  -1.27048     0.926266 -1.44051     1.30999  -1.10047     1.30989  0.638122 0.31156   0.666662 0.322288  
1 1 1 69 11 20 o 1.26512  0.384957  2.37003      1.06092  2.84094      1.53504  1.93939      1.46793  1.26149  0.463558  1.08358  0.437655  
1 1 1 69 11 21 o 0.919624 0.354254  1.15739      0.922733 0.0902547    1.42002  1.9373       1.21396  0.789416 0.368034  1.09523  0.410443  
1 1 1 69 11 22 o 0.764551 0.334951  0.618721     0.976794 -0.0456634   1.53104  1.07478      1.2685   0.75226  0.360051  0.863986 0.380085  
1 1 1 69 11 23 o 0.602107 0.288909  -0.438819    1.00148  -0.855285    1.5172   -0.117243    1.33319  0.664657 0.327402  0.696658 0.33405   
1 1 1 69 11 24 o 0.711749 0.323912  0.422128     1.01547  1.01165      1.53866  -0.0327862   1.35163  0.82054  0.38276   0.701005 0.336187  
1 1 1 69 12 0  f 1.44634  0.351639  2.5175       0.880608 2.5175       0.880608 2.5175       0.880608 1.52841  0.216007  ?        ?         
1 1 1 69 12 1  o 4.31938  0.0998027 18.8296      0.862172 20.1273      1.24643  17.6389      1.19386  4.44599  0.140174  4.16031  0.143482  
1 1 1 69 12 2  o 4.11966  0.0926031 17.1085      0.762986 17.8416      1.11405  16.4608      1.04711  4.18928  0.132965  4.02533  0.130065  
1 1 1 69 12 3  o 1.6198   0.198124  2.72288      0.641846 3.43495      0.862621 1.83969      0.960692 1.80457  0.239011  1.25856  0.36213   
1 1 1 69 12 4  o 0.917889 0.298538  0.909125     0.627069 0.621472     0.880153 1.20565      0.89362  0.874617 0.343986  1.04789  0.356384  
1 1 1 69 12 5  o 0.923049 0.296222  0.927901     0.618702 0.227922     0.808935 1.91451      0.96038  0.753378 0.316572  1.27853  0.360223  
1 1 1 69 12 6  o 3.09273  0.111391  9.69202      0.689005 10.2025      0.945684 9.11444      1.0059   3.15649  0.1498    2.97388  0.169123  
1 1 1 69 12 7  o 1.45458  0.21707   2.22752      0.63149  2.00643      0.827689 2.53548      0.976859 1.32014  0.317006  1.47618  0.337994  
1 1 1 69 12 8  o 0.809252 0.28856   0.656251     0.590911 1.24522      0.746724 -0.330469    0.966521 1.04383  0.324052  0.698444 0.317363  
1 1 1 69 12 9  o 2.15736  0.155782  4.79164      0.672156 4.25119      0.872245 5.5818       1.05467  2.00524  0.217491  2.29025  0.230253  
1 1 1 69 12 10 o 1.53085  0.215203  2.47851      0.658885 3.19926      0.870175 1.51         1.0087   1.72154  0.252732  1.12984  0.378637  
1 1 1 69 12 11 o 1.18982  0.281436  1.61385      0.660056 1.06994      0.871751 2.34461      1.01045  0.984575 0.350546  1.39283  0.360158  
1 1 1 69 12 12 o 0.854862 0.306586  0.763702     0.667898 0.609547     0.874291 0.979748     1.03502  0.851014 0.340219  0.974258 0.375214  
1 1 1 69 12 13 o 1.15882  0.296398  1.57274      0.689731 2.20202      0.925006 0.784724     1.03511  1.34645  0.34257   0.920223 0.36923   
1 1 1 69 12 14 o 1.2253   0.313175  1.79919      0.770443 1.13572      1.11785  2.39953      1.06334  1.00453  0.389301  1.37114  0.376453  
1 1 1 69 12 15 o 1.98195  0.204266  4.224        0.80969  4.23036      1.17275  4.21819      1.11927  1.89948  0.308704  1.91085  0.292872  
1 1 1 69 12 16 o 0.711941 0.311583  0.131067     0.843468 0.416254     1.16482  -0.183323    1.223    0.847208 0.368481  0.769018 0.351713  
1 1 1 69 12 17 o 1.18315  0.331273  1.77414      0.814702 1.2056       1.09994  2.46512      1.2126   0.99085  0.385722  1.31926  0.41363   
1 1 1 69 12 18 o 1.39652  0.345711  2.57324      0.961672 3.13834      1.36967  2.02379      1.35055  1.42717  0.438034  1.14835  0.432412  
1 1 1 69 12 19 o 1.63827  0.307449  3.39898      0.97023  2.59763      1.56051  3.90395      1.23876  1.21023  0.462178  1.66652  0.379962  
1 1 1 69 12 20 o 0.902086 0.356701  1.07215      0.951162 0.725979     1.49743  1.30629      1.23152  0.881174 0.398341  0.959889 0.39617   
1 1 1 69 12 21 o 0.529499 0.260819  -1.25459     0.965792 -0.463831    1.50943  -1.80272     1.25671  0.724542 0.349359  0.571979 0.28421   
1 1 1 69 12 22 o 0.738495 0.328915  0.532807     0.986173 0.133967     1.46816  0.860701     1.33119  0.74569  0.355867  0.816109 0.371261  
1 1 1 69 12 23 o 0.586471 0.283598  -0.655075    1.01692  -2.2822      1.54934  0.576427     1.34789  0.591888 0.297673  0.778777 0.361329  
1 1 1 69 12 24 o 0.703694 0.321605  0.58807      1.02051  1.26942      1.53478  0.0480943    1.36631  0.790325 0.372049  0.671401 0.325494  
1 1 1 69 13 0  f 1.6272   0.299447  3.00061      0.875867 3.00061      0.875867 3.00061      0.875867 1.68671  0.188999  ?        ?         
1 1 1 69 13 1  o 1.86852  0.174447  3.60272      0.651915 3.23931      0.965634 3.90706      0.883698 1.73085  0.278948  1.92436  0.229609  
1 1 1 69 13 2  o 3.66023  0.100216  13.5398      0.733625 13.7205      1.07121  13.3801      1.00679  3.66298  0.146221  3.6211   0.139017  
1 1 1 69 13 3  o 3.16595  0.112623  10.1602      0.713118 10.4888      1.05549  9.88425      0.967272 3.19198  0.165336  3.10358  0.155831  
1 1 1 69 13 4  o 0.599701 0.264164  -0.0797247   0.614365 0.486626     0.917108 -0.540783    0.827477 0.844513 0.344085  0.611672 0.283532  
1 1 1 69 13 5  o 1.33526  0.247141  1.95534      0.635168 2.799        0.83095  0.769574     0.985128 1.61308  0.257567  0.928058 0.364264  
1 1 1 69 13 6  o 2.57815  0.140089  6.7993       0.722341 7.61098      0.945129 5.65926      1.12011  2.71108  0.174308  2.30058  0.24344   
1 1 1 69 13 7  o 1.3431   0.252735  1.9927       0.653973 1.93839      0.816263 2.09006      1.09282  1.29255  0.317605  1.30849  0.389219  
1 1 1 69 13 8  o 3.49027  0.110228  12.3646      0.769452 11.8258      0.951384 13.3835      1.30832  3.3981   0.139988  3.5856   0.182441  
1 1 1 69 13 9  o 0.883986 0.296817  0.849866     0.619863 -0.0785105   0.74667  2.90837      1.11184  0.654671 0.289433  1.55567  0.363533  
1 1 1 69 13 10 o 2.17395  0.150284  4.86657      0.653421 5.01525      0.791985 4.54962      1.15635  2.1927   0.180596  2.02674  0.285274  
1 1 1 69 13 11 o 2.62426  0.141987  7.08113      0.74522  7.49964      0.974591 6.49195      1.15637  2.6771   0.182024  2.45427  0.235584  
1 1 1 69 13 12 o 1.28044  0.3233    1.96368      0.82858  2.81131      1.09106  0.808734     1.27358  1.50681  0.36531   0.964969 0.400847  
1 1 1 69 13 13 o 0.806815 0.327386  0.526992     0.82677  0.957967     1.09269  -0.0501512   1.26449  0.959406 0.381386  0.810361 0.366204  
1 1 1 69 13 14 o 0.541442 0.259787  -0.883339    0.809495 -1.99322     1.08795  0.493191     1.21161  0.544532 0.26939   0.8742   0.377945  
1 1 1 69 13 15 o 1.88886  0.229773  3.92304      0.868019 4.26695      1.2119   3.56075      1.24385  1.86283  0.337711  1.65132  0.383618  
1 1 1 69 13 16 o 1.19074  0.35072   1.83156      0.890903 0.763807     1.25835  2.90469      1.26151  0.917917 0.390661  1.43892  0.415279  
1 1 1 69 13 17 o 1.00361  0.362461  1.33148      0.93497  2.72009      1.36598  0.107487     1.28246  1.32253  0.44062   0.799342 0.363839  
1 1 1 69 13 18 o 0.684595 0.31132   -0.0292535   0.934189 0.514404     1.55397  -0.336919    1.16901  0.876461 0.39936   0.703186 0.32959   
1 1 1 69 13 19 o 0.708782 0.314378  0.212823     0.890629 -0.77885     1.39043  0.902789     1.15979  0.701854 0.337654  0.881128 0.375028  
1 1 1 69 13 20 o 1.44764  0.357787  3.0034       1.03129  2.59692      1.63247  3.27336      1.33038  1.14467  0.46186   1.38917  0.432794  
1 1 1 69 13 21 o 1.50963  0.34545   3.34927      1.02091  4.25114      1.55041  2.65887      1.35652  1.44411  0.469423  1.14799  0.433093  
1 1 1 69 13 22 o 1.30615  0.37277   2.79427      1.02205  3.61388      1.51911  2.11648      1.38145  1.27019  0.461693  1.00375  0.41725   
1 1 1 69 13 23 o 0.724874 0.329974  0.536711     1.05539  0.0688032    1.57978  0.913859     1.41832  0.723251 0.350433  0.793466 0.369106  
1 1 1 69 14 0  o 0.502682 0.335891  -0.124772    0.892436 -0.124772    0.892436 -0.124772    0.892436 0.420086 0.281141  ?        ?         
1 1 1 69 14 1  f 2.80657  0.116976  8.00103      0.656604 8.12001      0.91772  7.87625      0.939832 2.80657  0.163495  2.76065  0.170219  
1 1 1 69 14 2  o 0.484539 0.229101  -0.61695     0.592608 -0.315136    0.831388 -0.928673    0.844924 0.648201 0.294482  0.564465 0.26952   
1 1 1 69 14 3  o 2.62641  0.130352  7.03588      0.684716 5.70172      1.00652  8.18517      0.934187 2.32466  0.216488  2.8158   0.165883  
1 1 1 69 14 4  o 1.8085   0.173094  3.38804      0.62608  3.08758      0.823887 3.79868      0.963157 1.69853  0.242529  1.87666  0.256615  
1 1 1 69 14 5  o 2.69732  0.124716  7.41365      0.672798 8.06177      0.918574 6.66356      0.988198 2.79384  0.164393  2.52329  0.195815  
1 1 1 69 14 6  o 2.66453  0.131558  7.25162      0.701083 9.14205      0.939125 4.87179      1.0537   2.97823  0.157665  2.12818  0.247559  
1 1 1 69 14 7  o 2.57705  0.130925  6.78405      0.674803 7.09718      0.889103 6.35859      1.03636  2.61697  0.169873  2.45372  0.211182  
1 1 1 69 14 8  o 2.54602  0.140688  6.64858      0.716387 7.08859      0.902371 5.89852      1.17816  2.61221  0.172722  2.33385  0.252407  
1 1 1 69 14 9  o 3.12643  0.117021  9.9554       0.731714 11.2245      0.931862 7.91468      1.18167  3.30603  0.140934  2.72779  0.216598  
1 1 1 69 14 10 o 0.965889 0.323842  1.06811      0.737877 1.11413      0.947244 0.997096     1.17673  0.996505 0.364344  0.99444  0.395634  
1 1 1 69 14 11 o 0.501149 0.245821  -1.42416     0.838959 -2.75117     1.17064  -0.0228994   1.20295  0.527924 0.263962  0.803921 0.360515  
1 1 1 69 14 12 o 2.00394  0.23159   4.37199      0.928187 3.52006      1.22661  5.5134       1.41979  1.66758  0.376647  2.16172  0.328393  
1 1 1 69 14 13 o 1.33492  0.321849  2.1824       0.850518 3.14495      1.19784  1.20368      1.20785  1.54847  0.387366  1.01381  0.40162   
1 1 1 69 14 14 f 0.977466 0.350505  1.15825      0.87293  0.958537     1.23188  1.35968      1.23715  0.960353 0.396274  1.04544  0.408642  
1 1 1 69 14 15 o 0.751251 0.317249  0.361905     0.81908  0.260511     1.28176  0.431889     1.06487  0.839968 0.374521  0.823606 0.355173  
1 1 1 69 14 16 o 1.94196  0.226005  4.20961      0.877787 3.15073      1.31371  5.06365      1.17981  1.45954  0.424613  2.0669   0.285407  
1 1 1 69 14 17 o 0.837123 0.33681   0.784769     0.864678 0.344166     1.41785  1.04567      1.09105  0.839675 0.382295  0.918373 0.374924  
1 1 1 69 14 18 o 1.29932  0.362229  2.39133      0.976151 0.966117     1.4854   3.47467      1.29506  0.918505 0.406877  1.5042   0.416533  
1 1 1 69 14 19 o 1.76788  0.282741  3.85506      0.999706 4.33952      1.5452   3.5063       1.31107  1.59685  0.459201  1.48436  0.421746  
1 1 1 69 14 20 o 1.23782  0.379766  2.49912      1.02965  1.99228      1.59327  2.8626       1.34925  0.991399 0.431071  1.2117   0.435638  
1 1 1 69 14 21 o 0.670938 0.309963  0.148923     0.978288 1.28658      1.4975   -0.698077    1.29212  0.863284 0.393002  0.639012 0.311531  
1 1 1 69 14 22 o 0.895849 0.362159  1.37158      1.00646  1.43033      1.52447  1.32619      1.34001  0.87534  0.397964  0.866383 0.384782  
1 1 1 69 14 23 o 0.708468 0.324206  0.670367     1.04086  1.52424      1.56797  -0.00234612  1.39173  0.800289 0.376538  0.660684 0.322315  
1 1 1 69 15 0  o 1.04479  0.42499   1.63925      0.867464 1.63925      0.867464 1.63925      0.867464 1.15226  0.308687  ?        ?         
1 1 1 69 15 1  o 0.927869 0.292859  0.961013     0.606587 0.515823     0.834898 1.45874      0.882792 0.824073 0.331208  1.1147   0.353448  
1 1 1 69 15 2  o 0.761723 0.292257  0.502491     0.626378 1.00007      0.89191  0.0182421    0.879878 0.97     0.353651  0.726015 0.317986  
1 1 1 69 15 3  o 1.42479  0.235216  2.16936      0.670266 3.38904      0.983501 1.11158      0.915903 1.7576   0.279785  1.00518  0.35917   
1 1 1 69 15 4  o 4.38745  0.0933078 19.4593      0.818765 19.9325      1.11171  18.8983      1.2104   4.42102  0.12573   4.29411  0.140937  
1 1 1 69 15 5  o 2.24527  0.148817  5.18301      0.668268 5.45807      0.899611 4.84436      0.998208 2.2804   0.197248  2.12765  0.234579  
1 1 1 69 15 6  o 2.24691  0.146782  5.19036      0.659613 6.56521      0.860586 3.23242      1.02699  2.51455  0.171121  1.67157  0.318637  
1 1 1 69 15 7  o 2.80313  0.124736  8.02189      0.699304 9.75215      0.938047 5.85732      1.04919  3.0749   0.152533  2.34214  0.223982  
1 1 1 69 15 8  o 2.86782  0.118946  8.38885      0.682234 9.06636      0.883696 7.38927      1.07338  2.96486  0.149028  2.64238  0.203109  
1 1 1 69 15 9  o 1.11838  0.318474  1.49026      0.746795 0.700757     1.11729  2.1278       1.00402  0.916749 0.377687  1.30639  0.368396  
1 1 1 69 15 10 o 1.53772  0.278912  2.7092       0.826192 0.206455     1.2668   4.56169      1.08988  0.852839 0.377028  2.0223   0.269466  
1 1 1 69 15 11 o 0.97131  0.336193  1.11471      0.796917 2.84842      1.19847  -0.259431    1.06697  1.47043  0.397868  0.722112 0.329537  
1 1 1 69 15 12 o 0.622064 0.284709  -0.293275    0.803028 0.266241     1.18632  -0.766459    1.09097  0.829765 0.366094  0.658942 0.311226  
1 1 1 69 15 13 o 1.1435   0.330978  1.63699      0.800186 1.67923      1.2125   1.6044       1.06505  1.12088  0.411979  1.10578  0.388088  
1 1 1 69 15 14 o 0.704937 0.304946  0.19355      0.789656 0.818226     1.17254  -0.324915    1.06822  0.916555 0.382919  0.701944 0.324138  
1 1 1 69 15 15 o 1.66111  0.246796  3.14064      0.819911 2.71964      1.22122  3.48615      1.10633  1.36521  0.41254   1.63937  0.347956  
1 1 1 69 15 16 o 0.985815 0.346147  1.30482      0.847371 0.632447     1.26777  1.84776      1.13924  0.861191 0.379401  1.11318  0.400292  
1 1 1 69 15 17 o 1.16211  0.365128  1.94314      0.944243 0.80511      1.45235  2.77638      1.24274  0.893735 0.398575  1.32547  0.419266  
1 1 1 69 15 18 o 0.553649 0.268594  -0.988846    0.933218 -1.00656     1.4461   -0.976206    1.22165  0.689184 0.334349  0.639477 0.309508  
1 1 1 69 15 19 o 0.638492 0.296978  -0.0962155   0.917795 -1.18596     1.34483  0.853826     1.25567  0.629814 0.309669  0.832254 0.370897  
1 1 1 69 15 20 o 0.77488  0.340119  0.735735     1.01109  0.489845     1.57369  0.908591     1.31945  0.78637  0.372532  0.818867 0.371742  
1 1 1 69 15 21 f 1.46882  0.348764  3.25183      1.01062  3.77719      1.51702  2.83262      1.35512  1.31733  0.463089  1.16719  0.434393  
1 1 1 69 15 22 o 0.736929 0.330223  0.772484     1.0076   1.56038      1.54753  0.192659     1.32756  0.829797 0.385832  0.686587 0.330217  
1 1 1 69 16 0  o 0.339073 0.246823  -1.43931     0.849657 -1.43931     0.849657 -1.43931     0.849657 0.254519 0.188522  ?        ?         
1 1 1 69 16 1  o 1.18563  0.263456  1.58151      0.608321 1.61049      0.844084 1.5502       0.877478 1.16505  0.340816  1.14133  0.350668  
1 1 1 69 16 2  o 3.20165  0.11292   10.4204      0.723059 9.81608      1.02284  11.0241      1.02228  3.07813  0.166146  3.26852  0.156383  
1 1 1 69 16 3  o 2.01461  0.153727  4.18479      0.6194   4.41162      0.82007  3.88351      0.945104 2.04685  0.200325  1.89437  0.249451  
1 1 1 69 16 4  f 2.78818  0.122802  7.93073      0.684789 7.30151      0.8934   8.82695      1.06624  2.65207  0.168435  2.90605  0.183451  
1 1 1 69 16 5  o 4.1806   0.105147  17.7429      0.879151 18.4527      1.18453  16.8724      1.3118   4.23902  0.139717  4.0348   0.162561  
1 1 1 69 16 6  o 2.22247  0.148445  5.09471      0.659829 5.11201      0.858773 5.06977      1.03091  2.20208  0.194992  2.16586  0.237991  
1 1 1 69 16 7  o 4.20914  0.11397   18.0607      0.959431 16.7244      1.35788  19.393       1.3558   4.00491  0.169527  4.32551  0.156722  
1 1 1 69 16 8  o 2.35569  0.16948   5.79763      0.798483 6.43808      1.19579  5.28227      1.07267  2.42484  0.24657   2.19842  0.243964  
1 1 1 69 16 9  o 0.623245 0.281331  -0.17996     0.744213 -0.0351317   1.11194  -0.297479    1.00163  0.771238 0.346216  0.697833 0.318797  
1 1 1 69 16 10 o 0.854465 0.327566  0.755171     0.786333 1.0769       1.14242  0.465521     1.08397  0.983028 0.390222  0.845202 0.361234  
1 1 1 69 16 11 o 0.820946 0.323653  0.652766     0.780923 0.52372      1.18596  0.75155      1.03763  0.872353 0.375492  0.891442 0.365062  
1 1 1 69 16 12 o 1.20661  0.324864  1.81197      0.801477 2.79089      1.16501  0.93235      1.10434  1.44174  0.393246  0.936961 0.379121  
1 1 1 69 16 13 o 0.452511 0.224801  -1.62834     0.784206 -1.43788     1.20074  -1.77        1.03557  0.620869 0.30226   0.53875  0.265633  
1 1 1 69 16 14 o 0.778662 0.321613  0.535094     0.812561 0.9659       1.23902  0.209988     1.07634  0.931951 0.391709  0.77163  0.343649  
1 1 1 69 16 15 o 0.571172 0.270917  -0.600682    0.83455  -0.937825    1.25048  -0.329919    1.12063  0.662888 0.319226  0.694326 0.324946  
1 1 1 69 16 16 o 0.831546 0.344181  0.762655     0.933678 0.219888     1.35404  1.25467      1.28918  0.803807 0.368646  0.957143 0.400801  
1 1 1 69 16 17 o 0.718659 0.319389  0.242365     0.925325 -0.684788    1.36316  1.03465      1.26012  0.700749 0.33644   0.906045 0.388432  
1 1 1 69 16 18 o 0.720067 0.322162  0.345304     0.955684 1.21872      1.48842  -0.267361    1.24659  0.902148 0.402878  0.694817 0.330295  
1 1 1 69 16 19 o 0.545001 0.26584   -0.901236    0.945462 -1.36707     1.49005  -0.587287    1.22325  0.634889 0.314375  0.642039 0.310568  
1 1 1 69 16 20 o 0.648076 0.303891  -0.0642387   0.99777  -1.20411     1.54948  0.743246     1.30414  0.65106  0.321946  0.794476 0.363288  
1 1 1 69 16 21 o 0.82825  0.34883   1.14923      0.985906 0.679778     1.49569  1.50994      1.31105  0.766634 0.363182  0.869993 0.384219  
1 1 1 69 17 0  o 2.28358  0.205248  5.48862      0.919984 5.48862      0.919984 5.48862      0.919984 2.31391  0.141788  ?        ?         
1 1 1 69 17 1  o 2.75885  0.132826  7.8005       0.732894 7.61592      1.05629  7.97185      1.01773  2.6875   0.196518  2.75804  0.184502  
1 1 1 69 17 2  o 1.37875  0.248813  2.11616      0.661005 2.65494      0.94666  1.60356      0.923379 1.49902  0.324907  1.14792  0.361153  
1 1 1 69 17 3  o 1.18786  0.25916   1.597        0.598644 0.907413     0.789629 2.52909      0.918026 0.916917 0.332907  1.4625   0.322521  
1 1 1 69 17 4  o 1.49228  0.207188  2.36896      0.618365 1.64866      0.801355 3.42913      0.972196 1.17195  0.328681  1.75493  0.27699   
1 1 1 69 17 5  o 2.17229  0.155066  4.8919       0.673697 3.83883      0.892392 6.28741      1.02729  1.88035  0.237294  2.42605  0.211721  
1 1 1 69 17 6  o 2.12827  0.176014  4.7503       0.749208 4.01697      1.07147  5.45185      1.048    1.88775  0.283798  2.24011  0.233916  
1 1 1 69 17 7  o 2.98348  0.144845  9.20693      0.864281 7.91999      1.2645   10.3353      1.18402  2.69435  0.234658  3.12349  0.189534  
1 1 1 69 17 8  o 0.8178   0.322289  0.629083     0.774074 0.450646     1.12411  0.789997     1.06749  0.85265  0.366251  0.910728 0.371171  
1 1 1 69 17 9  o 0.690977 0.3002    0.132245     0.771526 -0.726744    1.10829  0.939944     1.07469  0.669125 0.315333  0.940425 0.376685  
1 1 1 69 17 10 o 2.27743  0.185572  5.52203      0.845257 4.97098      1.23943  6.00113      1.1557   2.06269  0.300441  2.31913  0.249168  
1 1 1 69 17 11 o 2.52909  0.166245  6.73768      0.840896 6.08092      1.23561  7.30429      1.14767  2.31182  0.267237  2.58243  0.222207  
1 1 1 69 17 12 o 0.689552 0.302487  0.120744     0.798761 -0.0930136   1.13956  0.327202     1.11993  0.750264 0.341893  0.811382 0.357038  
1 1 1 69 17 13 o 2.27571  0.199448  5.65689      0.90777  3.67562      1.30812  7.49727      1.26075  1.60705  0.406493  2.56441  0.245818  
1 1 1 69 17 14 o 1.00774  0.34314   1.36872      0.828439 1.22271      1.18263  1.5094       1.16085  0.960596 0.390949  1.02448  0.396783  
1 1 1 69 17 15 o 0.631618 0.29361   -0.274816    0.895438 -1.99887     1.25525  1.51156      1.27773  0.574737 0.285369  1.00727  0.407706  
1 1 1 69 17 16 o 0.878293 0.347671  0.991885     0.90452  -1.44925     1.31787  3.16602      1.24371  0.626811 0.307664  1.42488  0.4127    
1 1 1 69 17 17 o 0.946726 0.352041  1.34088      0.889634 1.54903      1.27974  1.14622      1.23759  0.966549 0.401679  0.892745 0.383911  
1 1 1 69 17 18 o 0.803544 0.341065  0.86803      0.954595 -0.407107    1.46356  1.81215      1.25935  0.701333 0.339328  0.982446 0.402228  
1 1 1 69 17 19 o 0.82918  0.348584  1.03755      0.981548 0.713287     1.5748   1.24354      1.25518  0.803118 0.37772   0.863704 0.379032  
1 1 1 69 17 20 o 0.981673 0.379057  1.80073      1.05778  2.16473      1.65316  1.54839      1.37642  0.949382 0.424264  0.888946 0.392994  
1 1 1 69 17 21 o 1.07509  0.378505  2.36296      1.0138   1.36498      1.54354  3.1201       1.34445  0.78583  0.37086   1.08884  0.425914  
1 1 1 69 18 0  o 0.878009 0.429845  1.2921       0.886393 1.2921       0.886393 1.2921       0.886393 0.950294 0.355181  ?        ?         
1 1 1 69 18 1  o 0.873916 0.315513  0.823957     0.708397 0.395545     0.998414 1.25827      1.00527  0.822573 0.348957  1.03314  0.375572  
1 1 1 69 18 2  o 1.94824  0.171467  3.97121      0.668119 3.30547      0.908472 4.75543      0.986009 1.72613  0.263153  2.09081  0.235796  
1 1 1 69 18 3  o 0.598997 0.264115  -0.0398764   0.616159 -0.0966571   0.822126 0.0328922    0.930701 0.669937 0.299293  0.73132  0.323253  
1 1 1 69 18 4  o 0.847632 0.311567  0.760513     0.693488 0.967062     1.04044  0.595394     0.930262 0.954025 0.374372  0.846411 0.345979  
1 1 1 69 18 5  o 1.0035   0.314262  1.20301      0.700242 2.00174      1.03781  0.53548      0.948757 1.24295  0.381253  0.834242 0.346223  
1 1 1 69 18 6  o 1.91701  0.195764  3.92302      0.750564 3.77766      1.11818  4.04221      1.01257  1.76715  0.328661  1.8944   0.267254  
1 1 1 69 18 7  o 0.88132  0.331833  0.84908      0.795315 1.11561      1.16942  0.619712     1.08483  0.990369 0.39428   0.872775 0.366667  
1 1 1 69 18 8  o 1.11095  0.333235  1.54193      0.798801 1.23806      1.17754  1.80098      1.08721  1.0159   0.398351  1.16317  0.393096  
1 1 1 69 18 9  o 1.96087  0.19898   4.1359       0.780347 3.70802      1.1299   4.52611      1.07901  1.73122  0.3384    1.99302  0.270698  
1 1 1 69 18 10 o 1.00382  0.331685  1.25045      0.774048 0.119703     1.11369  2.30711      1.07659  0.780953 0.348631  1.30847  0.385587  
1 1 1 69 18 11 o 1.51032  0.269706  2.68623      0.785335 2.34236      1.13978  2.99704      1.08361  1.28491  0.400649  1.50575  0.36344   
1 1 1 69 18 12 o 0.83281  0.336346  0.734428     0.866915 0.357718     1.23108  1.10498      1.22098  0.821105 0.366551  0.95082  0.393571  
1 1 1 69 18 13 o 1.76325  0.241924  3.5802       0.853142 1.97792      1.17098  5.39294      1.24551  1.13819  0.406174  2.09619  0.297091  
1 1 1 69 18 14 o 0.60404  0.284332  -0.472536    0.896063 -1.3763      1.2726   0.416116     1.26191  0.624144 0.305265  0.814994 0.367196  
1 1 1 69 18 15 o 1.29708  0.355993  2.38093      0.951103 2.37557      1.35211  2.38619      1.33813  1.17821  0.434823  1.1838   0.433021  
1 1 1 69 18 16 o 0.803269 0.338335  0.768678     0.927597 1.83058      1.43499  0.00647807   1.21574  1.00904  0.42271   0.724326 0.338791  
1 1 1 69 18 17 o 0.900535 0.350042  1.26728      0.90516  1.73069      1.34155  0.880033     1.22637  0.95984  0.405708  0.82111  0.366219  
1 1 1 69 18 18 o 1.87736  0.270961  4.57193      1.01738  3.36345      1.54408  5.4991       1.35247  1.19931  0.459235  1.87827  0.37329   
1 1 1 69 18 19 o 1.66714  0.326186  4.01536      1.04881  4.61344      1.66486  3.62183      1.35048  1.3982   0.485737  1.34276  0.438112  
1 1 1 69 18 20 o 0.653032 0.307775  0.244651     1.05623  0.226471     1.74857  0.255096     1.32536  0.701644 0.345762  0.67635  0.326428  
1 1 1 69 19 0  o 1.44445  0.368402  2.63556      0.91864  2.63556      0.91864  2.63556      0.91864  1.54853  0.223309  ?        ?         
1 1 1 69 19 1  o 1.01691  0.316221  1.24701      0.710674 1.31958      1.02224  1.17913      0.98869  1.0373   0.378567  0.997281 0.371067  
1 1 1 69 19 2  o 2.44686  0.153634  6.23667      0.751841 6.27558      1.16502  6.2089       0.984224 2.38199  0.244548  2.40405  0.204701  
1 1 1 69 19 3  o 0.637806 0.281191  0.00372029   0.698094 0.164697     1.08486  -0.110045    0.911999 0.789644 0.34902   0.692165 0.311992  
1 1 1 69 19 4  o 1.9647   0.190959  4.11689      0.750355 4.31526      1.18073  3.9825       0.971835 1.91808  0.30779   1.88454  0.257844  
1 1 1 69 19 5  o 3.06616  0.137404  9.72952      0.842608 8.24887      1.26357  10.9152      1.13072  2.74097  0.230497  3.21339  0.175939  
1 1 1 69 19 6  o 1.90156  0.201328  3.89135      0.765673 2.73631      1.12841  4.87693      1.04235  1.4388   0.384609  2.09044  0.249314  
1 1 1 69 19 7  o 1.57942  0.257547  2.81101      0.813551 2.94444      1.19288  2.69497      1.1124   1.47997  0.395366  1.42661  0.382108  
1 1 1 69 19 8  o 1.14938  0.324573  1.65144      0.778828 1.68545      1.1634   1.62382      1.04841  1.11791  0.404265  1.10679  0.385367  
1 1 1 69 19 9  o 0.5641   0.26431   -0.48084     0.749478 -0.214585    1.10359  -0.708757    1.02106  0.722797 0.332045  0.63403  0.300226  
1 1 1 69 19 10 o 2.49027  0.177617  6.64834      0.884631 6.52688      1.22227  6.78196      1.28198  2.38208  0.256556  2.41745  0.265151  
1 1 1 69 19 11 o 2.39342  0.182307  6.1987       0.872675 5.78643      1.27017  6.5673       1.20103  2.18937  0.290076  2.38315  0.251983  
1 1 1 69 19 12 o 0.701554 0.308655  0.222061     0.836664 -0.481909    1.15997  0.985458     1.20793  0.682287 0.321847  0.908158 0.384473  
1 1 1 69 19 13 o 1.05516  0.351631  1.56857      0.869946 0.467857     1.27406  2.53002      1.19074  0.823269 0.370049  1.27047  0.411271  
1 1 1 69 19 14 o 3.11189  0.183854  10.6252      1.14426  10.9812      1.50105  10.1314      1.76798  3.06113  0.24518   2.81015  0.31457   
1 1 1 69 19 15 o 0.954157 0.356589  1.38084      0.915042 0.159909     1.35279  2.41061      1.24238  0.762089 0.356723  1.1639   0.418071  
1 1 1 69 19 16 o 1.01484  0.35369   1.64756      0.883318 2.75547      1.29933  0.69554      1.20446  1.18885  0.427495  0.792217 0.357737  
1 1 1 69 19 17 o 0.633621 0.296791  -0.0641446   0.942272 1.47976      1.4569   -1.17439     1.23546  0.889159 0.397793  0.591086 0.291127  
1 1 1 69 19 18 o 1.30313  0.371363  2.79049      1.01506  1.19991      1.51537  4.085        1.36708  0.850651 0.390071  1.46751  0.435084  
1 1 1 69 19 19 o 0.763604 0.33509   0.961899     0.980929 1.41613      1.51596  0.634731     1.28658  0.804573 0.376791  0.720533 0.339616  
1 1 1 69 20 0  o 0.485457 0.336903  -0.47453     1.05981  -0.47453     1.05981  -0.47453     1.05981  0.39743  0.276626  ?        ?         
1 1 1 69 20 1  o 1.26079  0.290639  1.89525      0.718352 1.92326      1.14761  1.87721      0.921132 1.19171  0.403866  1.20916  0.356772  
1 1 1 69 20 2  o 0.870029 0.318188  0.84837      0.722486 0.419346     1.15746  1.12224      0.924767 0.846777 0.367789  0.970286 0.359299  
1 1 1 69 20 3  o 2.11049  0.180374  4.72884      0.761353 3.63854      1.18834  5.48801      0.9916   1.69155  0.361793  2.24164  0.221177  
1 1 1 69 20 4  o 0.866557 0.319968  0.838592     0.732335 2.01791      1.14456  0.021103     0.952933 1.21476  0.403329  0.723905 0.322845  
1 1 1 69 20 5  o 2.4565   0.166819  6.35947      0.81958  5.86267      1.21393  6.77561      1.11102  2.26926  0.267471  2.48561  0.22349   
1 1 1 69 20 6  o 1.28839  0.299207  2.01062      0.75688  1.85426      1.1523   2.12928      1.00378  1.16044  0.404013  1.26664  0.372022  
1 1 1 69 20 7  o 0.955043 0.33744   1.13022      0.8064   0.810278     1.25033  1.35809      1.05519  0.916593 0.389735  1.02233  0.382754  
1 1 1 69 20 8  o 2.40686  0.183898  6.23607      0.885233 4.25657      1.32879  7.81566      1.187    1.77027  0.386008  2.64939  0.224013  
1 1 1 69 20 9  o 2.13614  0.197071  4.9897       0.841942 4.19352      1.20962  5.7379       1.17261  1.79003  0.350373  2.21637  0.264534  
1 1 1 69 20 10 o 1.55883  0.279232  2.95679      0.83904  2.94811      1.22159  2.96454      1.15442  1.40124  0.410037  1.43149  0.3919    
1 1 1 69 20 11 o 1.30117  0.329971  2.26134      0.86031  1.63859      1.25305  2.81666      1.18327  1.03692  0.409604  1.36143  0.405013  
1 1 1 69 20 12 o 0.995406 0.353978  1.39219      0.888668 0.689447     1.32802  1.96203      1.19587  0.861527 0.382787  1.11375  0.409166  
1 1 1 69 20 13 o 1.39227  0.341089  2.66451      0.943582 2.35786      1.32023  2.98472      1.34909  1.17492  0.430081  1.32549  0.437887  
1 1 1 69 20 14 f 2.09337  0.239227  5.25439      1.00158  4.85489      1.45298  5.6161       1.38254  1.71151  0.42571   1.96282  0.365811  
1 1 1 69 20 15 o 1.30043  0.344718  2.53852      0.911244 1.69208      1.30184  3.35161      1.27594  0.955154 0.401492  1.35495  0.424188  
1 1 1 69 20 16 o 1.21934  0.350607  2.34319      0.900829 0.0893126    1.26927  4.63069      1.27871  0.708799 0.335208  1.69088  0.386398  
1 1 1 69 20 17 o 0.689276 0.313153  0.31238      0.940332 0.393984     1.39753  0.244872     1.2711   0.755362 0.355425  0.725692 0.340774  
1 1 1 69 20 18 o 0.566309 0.275104  -0.535884    0.984746 -0.234055    1.55011  -0.740118    1.27511  0.673989 0.331736  0.60332  0.297143  
1 1 1 69 21 0  o 3.17387  0.205243  10.6076      1.29033  10.6076      1.29033  10.6076      1.29033  3.2159   0.142495  ?        ?         
1 1 1 69 21 1  o 0.765214 0.317951  0.439314     0.801612 0.336586     1.15505  0.534765     1.11339  0.826152 0.36307   0.852593 0.365304  
1 1 1 69 21 2  o 1.98558  0.201508  4.26242      0.800218 3.647        1.17665  4.79199      1.0915   1.68592  0.359585  2.04822  0.266452  
1 1 1 69 21 3  o 0.585495 0.269976  -0.323771    0.737587 -0.815255    1.14466  0.0251972    0.964528 0.662404 0.315653  0.722243 0.323379  
1 1 1 69 21 4  o 1.18083  0.318871  1.75529      0.770751 0.741226     1.14716  2.58976      1.04063  0.889091 0.375452  1.39489  0.367748  
1 1 1 69 21 5  o 1.40605  0.293302  2.40425      0.797788 1.3691       1.21739  3.18341      1.05619  1.01872  0.403316  1.5709   0.345528  
1 1 1 69 21 6  o 0.681026 0.301328  0.0962524    0.811509 -0.846704    1.19842  0.894783     1.10283  0.665837 0.318653  0.902624 0.373858  
1 1 1 69 21 7  o 0.80109  0.328178  0.631073     0.838851 0.637356     1.22154  0.625466     1.15397  0.862072 0.376145  0.850181 0.36822   
1 1 1 69 21 8  o 2.51425  0.180886  6.84862      0.909586 6.5471       1.37716  7.08193      1.21142  2.31174  0.297862  2.48014  0.244224  
1 1 1 69 21 9  o 1.47425  0.308198  2.77529      0.879242 3.83069      1.31192  1.91471      1.18467  1.60702  0.407441  1.1118   0.407361  
1 1 1 69 21 10 o 1.09538  0.356988  1.70589      0.896652 3.28354      1.32461  0.371567     1.21818  1.43718  0.428718  0.801063 0.360856  
1 1 1 69 21 11 o 0.615191 0.287963  -0.33641     0.881532 0.498014     1.31081  -1.0254      1.19111  0.827943 0.37357   0.628708 0.304524  
1 1 1 69 21 12 o 1.19117  0.361631  2.09315      0.93695  2.47783      1.33752  1.72249      1.31292  1.18592  0.433007  1.02153  0.413361  
1 1 1 69 21 13 o 0.839497 0.342354  0.987945     0.908739 0.867417     1.30102  1.10277      1.26985  0.835624 0.374823  0.871107 0.381767  
1 1 1 69 21 14 o 1.89644  0.253986  4.48718      0.963341 4.70364      1.3976   4.29125      1.32968  1.65253  0.421465  1.58398  0.414821  
1 1 1 69 21 15 o 0.787133 0.331784  0.85268      0.893112 0.7119       1.27621  0.9878       1.25029  0.784677 0.359045  0.82177  0.368054  
1 1 1 69 21 16 f 1.37752  0.343335  2.87889      0.943621 2.14152      1.43663  3.43839      1.25142  0.992993 0.419785  1.36063  0.418922  
1 1 1 69 21 17 o 0.9504   0.362486  1.73713      0.958903 2.52982      1.42637  1.08346      1.29527  0.984454 0.417334  0.784568 0.36013   
1 1 1 69 22 0  o 0.712093 0.435942  0.846113     1.1602   0.846113     1.1602   0.846113     1.1602   0.695461 0.39197   ?        ?         
1 1 1 69 22 1  o 0.890464 0.343071  0.94126      0.865461 0.733778     1.20123  1.16521      1.248    0.883176 0.378958  0.969995 0.399319  
1 1 1 69 22 2  o 1.35461  0.326643  2.35659      0.875946 2.99092      1.23901  1.72274      1.23854  1.43223  0.410977  1.08943  0.412998  
1 1 1 69 22 3  o 0.879718 0.339802  0.919083     0.850187 0.676233     1.17107  1.18972      1.23627  0.864506 0.372633  0.969062 0.397933  
1 1 1 69 22 4  o 1.33444  0.325955  2.30732      0.86366  2.55695      1.21344  2.05104      1.22952  1.30269  0.414521  1.16187  0.416045  
1 1 1 69 22 5  o 1.79625  0.233703  3.66961      0.839575 3.29371      1.27229  3.95956      1.1174   1.48822  0.413101  1.75384  0.330662  
1 1 1 69 22 6  o 2.80319  0.160333  8.38285      0.898885 8.16772      1.29986  8.58002      1.24438  2.66004  0.244331  2.75306  0.226     
1 1 1 69 22 7  o 0.94057  0.343361  1.18575      0.840995 0.958305     1.20607  1.40101      1.1733   0.899523 0.382635  0.988576 0.394504  
1 1 1 69 22 8  o 1.90338  0.23293   4.16227      0.886707 5.38117      1.35995  3.26087      1.16948  2.03003  0.334957  1.49797  0.38752   
1 1 1 69 22 9  o 0.671442 0.302906  0.0539986    0.861453 -0.039279    1.30873  0.125311     1.14431  0.759834 0.353885  0.74975  0.341913  
1 1 1 69 22 10 o 0.629045 0.292889  -0.25718     0.895664 1.01346      1.31294  -1.36321     1.22495  0.902192 0.391784  0.607779 0.297782  
1 1 1 69 22 11 o 0.736988 0.322043  0.460697     0.898158 0.914803     1.30837  0.0559829    1.23517  0.860651 0.381478  0.734678 0.342797  
1 1 1 69 22 12 o 0.685564 0.310021  0.243904     0.90779  1.84594      1.32792  -1.16164     1.24382  0.992458 0.410604  0.605793 0.297844  
1 1 1 69 22 13 o 0.935909 0.357334  1.44248      0.932637 1.74933      1.33378  1.14891      1.3046   0.951901 0.403549  0.8549   0.379675  
1 1 1 69 22 14 o 0.691108 0.30916   0.371367     0.879816 0.424855     1.24178  0.317452     1.24673  0.746633 0.346569  0.733665 0.343128  
1 1 1 69 22 15 o 1.07945  0.355847  1.92566      0.890933 0.880282     1.2517   2.99913      1.26841  0.801425 0.363141  1.22487  0.424124  
1 1 1 69 22 16 o 2.02588  0.250367  5.37727      1.01442  4.8387       1.48244  5.85154      1.39113  1.45479  0.457584  1.81632  0.394025  
1 1 1 69 23 0  o 0.437905 0.317048  -1.58289     1.31475  -1.58289     1.31475  -1.58289     1.31475  0.343124 0.251568  ?        ?         
1 1 1 69 23 1  o 0.884452 0.354997  0.950458     0.957313 -0.652535    1.34636  2.58962      1.36146  0.711227 0.339745  1.25621  0.43898   
1 1 1 69 23 2  o 1.02105  0.370443  1.47417      0.977577 2.78051      1.42747  0.320391     1.34153  1.28451  0.449436  0.820742 0.37319   
1 1 1 69 23 3  o 0.641555 0.299947  -0.337186    0.951653 -0.33383     1.27994  -0.341335    1.42309  0.726401 0.341315  0.755386 0.356376  
1 1 1 69 23 4  o 1.49492  0.331629  2.95556      0.965349 1.97347      1.27541  4.27284      1.47711  1.11154  0.419768  1.64663  0.439985  
1 1 1 69 23 5  o 1.00482  0.367822  1.43921      0.965665 1.28265      1.32003  1.61946      1.41637  0.962724 0.404462  1.02479  0.424023  
1 1 1 69 23 6  o 1.15596  0.356532  1.89905      0.905894 2.22235      1.23984  1.52878      1.32683  1.17317  0.418017  1.00689  0.412656  
1 1 1 69 23 7  o 0.585647 0.279331  -0.616325    0.901288 -0.782218    1.25728  -0.440958    1.29268  0.669032 0.321672  0.711036 0.337218  
1 1 1 69 23 8  o 1.17849  0.367691  2.04474      0.959774 3.66229      1.48512  0.884657     1.2577   1.45057  0.458281  0.877308 0.382243  
1 1 1 69 23 9  o 0.703975 0.312766  0.275937     0.886427 -0.16999     1.28691  0.678508     1.22275  0.72278  0.340377  0.823916 0.366624  
1 1 1 69 23 10 o 0.918895 0.352924  1.30362      0.914181 1.14197      1.31384  1.45533      1.27283  0.877804 0.386488  0.930956 0.394422  
1 1 1 69 23 11 o 0.780235 0.332989  0.762197     0.918751 0.213453     1.31039  1.29276      1.2885   0.740397 0.347376  0.886794 0.386631  
1 1 1 69 23 12 o 0.767366 0.32941   0.753208     0.90834  0.0933554    1.36152  1.28247      1.21938  0.722676 0.344319  0.870636 0.377815  
1 1 1 69 23 13 o 0.642632 0.299636  -0.021142    0.9416   -1.87661     1.33731  1.80309      1.32601  0.570435 0.284782  0.958548 0.404167  
1 1 1 69 23 14 o 0.724762 0.319243  0.579019     0.897212 -0.628492    1.2864   1.7228       1.252    0.638079 0.311034  0.933078 0.393042  
1 1 1 69 23 15 o 0.9481   0.366079  1.81501      0.986571 2.56181      1.59128  1.34873      1.2574   0.930884 0.416116  0.808233 0.365213  
1 1 1 69 24 0  o 0.511206 0.360332  -0.703014    1.35408  -0.703014    1.35408  -0.703014    1.35408  0.421835 0.298676  ?        ?         
1 1 1 69 24 1  o 0.761175 0.337037  0.351622     1.01774  0.958446     1.28473  -0.670814    1.66763  0.901187 0.389391  0.764165 0.368156  
1 1 1 69 24 2  o 2.14234  0.243938  5.34733      1.0452   4.41863      1.43061  6.41059      1.53074  1.70078  0.422042  2.19     0.349484  
1 1 1 69 24 3  o 1.42184  0.362806  2.84959      1.03527  3.62822      1.43954  2.01549      1.48993  1.47653  0.448246  1.08781  0.440277  
1 1 1 69 24 4  f 0.777407 0.338069  0.496258     0.980192 0.893768     1.32096  0.00921537   1.46217  0.888799 0.389449  0.789537 0.369802  
1 1 1 69 24 5  o 0.56554  0.275015  -1.05521     0.988585 0.268212     1.38071  -2.44736     1.41611  0.804527 0.37035   0.585444 0.292385  
1 1 1 69 24 6  o 0.818394 0.347002  0.737403     0.986422 -0.519885    1.30841  2.39308      1.50146  0.69925  0.334238  1.13915  0.448882  
1 1 1 69 24 7  o 0.708671 0.32257   0.173186     1.00807  0.942388     1.39677  -0.663035    1.45635  0.871346 0.389669  0.702901 0.33981   
1 1 1 69 24 8  o 0.680657 0.318821  -0.0520053   1.08729  0.197583     1.53262  -0.304906    1.54276  0.77693  0.367861  0.732764 0.353292  
1 1 1 69 24 9  o 2.01293  0.260531  5.08213      1.04886  5.09814      1.47747  5.06587      1.48923  1.71797  0.430481  1.70069  0.435842  
1 1 1 69 24 10 o 1.10774  0.371723  2.07509      0.972199 1.19648      1.38397  2.93102      1.366    0.860372 0.386239  1.18731  0.437194  
1 1 1 69 24 11 o 0.654813 0.302219  0.0994748    0.927084 0.745561     1.44322  -0.354429    1.20967  0.798812 0.371878  0.655319 0.315187  
1 1 1 69 24 12 o 1.05423  0.360794  1.8456       0.915874 2.22404      1.41705  1.57409      1.20026  1.02048  0.423298  0.928789 0.387685  
1 1 1 69 24 13 o 1.31537  0.36296   2.84658      0.985444 1.42507      1.41351  4.19082      1.37456  0.85928  0.387807  1.44979  0.437589  
1 1 1 69 24 14 f 0.566066 0.272693  -0.309254    0.914415 -0.514076    1.39152  -0.153586    1.21311  0.62406  0.307749  0.62898  0.305483  
1 1 1 69 25 0  o 0.689775 0.452215  0.720314     1.49976  0.720314     1.49976  0.720314     1.49976  0.654638 0.408564  ?        ?         
1 1 1 69 25 1  o 1.58793  0.349055  3.50032      1.07849  3.71775      1.51582  3.27743      1.53477  1.43561  0.463958  1.32032  0.465623  
1 1 1 69 25 2  o 1.26649  0.377823  2.43559      1.02876  0.563409     1.43446  4.41832      1.47621  0.836502 0.381881  1.6321   0.44155   
1 1 1 69 25 3  o 1.13674  0.376581  2.01773      0.997777 1.02218      1.33175  3.29168      1.5065   0.88595  0.389598  1.31139  0.461431  
1 1 1 69 25 4  o 0.607839 0.288221  -0.426409    0.943927 0.290833     1.23222  -1.44506     1.46848  0.761607 0.350288  0.644484 0.317419  
1 1 1 69 25 5  o 0.752483 0.333535  0.52325      1.00019  0.203721     1.4012   0.855186     1.42814  0.76322  0.358286  0.843099 0.383807  
1 1 1 69 25 6  o 0.965964 0.384382  1.60124      1.11096  1.47557      1.61544  1.714        1.53028  0.917354 0.414269  0.953544 0.418485  
1 1 1 69 25 7  f 0.632238 0.299921  -0.287564    1.02311  -1.69325     1.3735   1.46461      1.53346  0.594389 0.295589  0.906334 0.406726  
1 1 1 69 25 8  o 1.25411  0.396687  2.7651       1.11249  3.74434      1.60843  1.86697      1.54038  1.26883  0.47305   0.949619 0.418294  
1 1 1 69 25 9  o 0.846758 0.359909  1.14279      1.06558  0.825476     1.41647  1.5565       1.61736  0.80554  0.372463  0.893737 0.407283  
1 1 1 69 25 10 f 0.625353 0.298409  -0.322555    1.03168  -0.293057    1.45826  -0.352115    1.45976  0.70338  0.340041  0.6987   0.338199  
1 1 1 69 25 11 o 0.722739 0.324452  0.512729     0.976595 0.960186     1.42383  0.115208     1.34203  0.814654 0.375436  0.715504 0.34117   
1 1 1 69 25 12 o 0.631428 0.295433  0.0970885    0.925394 -0.633276    1.29013  0.871082     1.3281   0.619384 0.304143  0.765696 0.356568  
1 1 1 69 25 13 o 0.638153 0.296569  0.265376     0.912805 -0.168873    1.30515  0.681165     1.27711  0.638489 0.311603  0.715699 0.337638  
1 1 1 69 26 0  o 0.547823 0.383178  -0.288672    1.47397  -0.288672    1.47397  -0.288672    1.47397  0.47514  0.330205  ?        ?         
1 1 1 69 26 1  o 2.32848  0.243851  6.60978      1.13561  7.65257      1.6068   5.56908      1.60518  2.3018   0.349031  1.76092  0.453209  
1 1 1 69 26 2  o 0.71023  0.324807  0.25474      1.04287  0.488384     1.45792  0.009923     1.49237  0.791143 0.370324  0.747316 0.357154  
1 1 1 69 26 3  o 0.810085 0.350218  0.870154     1.04032  1.69529      1.49999  0.10541      1.44406  0.943623 0.414226  0.747504 0.355413  
1 1 1 69 26 4  o 0.580469 0.283198  -0.906755    1.07496  -0.841788    1.55517  -0.966194    1.48754  0.682193 0.334645  0.66238  0.325683  
1 1 1 69 26 5  o 1.31627  0.394547  2.97526      1.12005  1.39493      1.5825   4.56154      1.58548  0.886421 0.40366   1.47371  0.474321  
1 1 1 69 26 6  o 0.576452 0.280131  -0.751841    1.02266  -1.73399     1.38203  0.436779     1.52037  0.586465 0.29232   0.771834 0.365892  
1 1 1 69 26 7  o 0.724277 0.324992  0.487268     0.97884  0.496427     1.30976  0.475681     1.47318  0.760876 0.354236  0.772114 0.363776  
1 1 1 69 26 8  o 1.90092  0.313296  5.0109       1.19111  4.72657      1.5965   5.36785      1.78881  1.50317  0.475181  1.52948  0.504224  
1 1 1 69 26 9  o 0.916166 0.367179  1.46445      1.02197  0.611808     1.383    2.49009      1.51682  0.774436 0.361884  1.03294  0.433743  
1 1 1 69 26 10 o 0.818721 0.34815   1.11282      0.997892 1.49217      1.3599   0.67024      1.46886  0.861773 0.384963  0.763031 0.360736  
1 1 1 69 26 11 o 1.04802  0.369853  2.18968      0.968502 1.96739      1.29421  2.47261      1.46008  0.887303 0.387163  0.931726 0.408843  
1 1 1 69 27 0  o 0.426907 0.313573  -2.04043     1.49823  -2.04043     1.49823  -2.04043     1.49823  0.339601 0.251313  ?        ?         
1 1 1 69 27 1  o 0.822284 0.355379  1.01563      1.07056  0.810353     1.53577  1.20966      1.49312  0.808402 0.378702  0.853662 0.389672  
1 1 1 69 27 2  o 0.789918 0.347806  0.838327     1.06409  2.33535      1.50183  -0.670827    1.5079   1.01475  0.429106  0.676383 0.331159  
1 1 1 69 27 3  o 0.911634 0.379072  1.48393      1.14074  -0.917468    1.74074  3.29142      1.51022  0.6932   0.342411  1.19849  0.45555   
1 1 1 69 27 4  o 0.857819 0.370495  1.19622      1.16212  1.1611       1.65509  1.23036      1.63213  0.852992 0.397541  0.860507 0.398617  
1 1 1 69 27 5  o 1.30639  0.389365  2.90319      1.09291  4.32205      1.5551   1.51842      1.5363   1.42792  0.470132  0.900084 0.405365  
1 1 1 69 27 6  o 0.94947  0.379695  1.62045      1.08942  1.24891      1.54285  1.9899       1.53851  0.861554 0.394452  0.960575 0.420602  
1 1 1 69 27 7  o 1.67882  0.347484  4.26011      1.12728  3.15017      1.4888   5.75144      1.72573  1.15604  0.449015  1.61547  0.490856  
1 1 1 69 27 8  o 0.798104 0.35005   1.02618      1.06935  1.48532      1.50752  0.561178     1.5171   0.849439 0.389325  0.752377 0.359699  
1 1 1 69 27 9  o 0.80915  0.352701  1.27741      1.07179  0.187186     1.50996  2.38448      1.52158  0.68708  0.335289  0.910787 0.407022  
1 1 1 69 28 0  o 0.547107 0.3853    -0.299612    1.54164  -0.299612    1.54164  -0.299612    1.54164  0.477118 0.332526  ?        ?         
1 1 1 69 28 1  o 0.779229 0.350658  0.743779     1.14734  0.329236     1.78114  1.03779      1.50002  0.779356 0.376604  0.832857 0.384404  
1 1 1 69 28 2  o 1.41572  0.413969  3.6286       1.24558  2.10136      1.80314  5.02252      1.72264  0.942095 0.429514  1.46341  0.494811  
1 1 1 69 28 3  o 0.814653 0.364359  0.997993     1.22154  0.299511     1.9356   1.46032      1.57474  0.779495 0.380248  0.873845 0.399423  
1 1 1 69 28 4  o 0.521725 0.260081  -1.61844     1.09557  -1.8964      1.54683  -1.33864     1.55194  0.600502 0.300251  0.631635 0.314125  
1 1 1 69 28 5  o 0.684898 0.32172   0.212699     1.13559  0.454146     1.54108  -0.074173    1.6798   0.745828 0.357996  0.715401 0.35009   
1 1 1 69 28 6  o 0.703838 0.327733  0.501196     1.12167  0.932155     1.49128  -0.0602228   1.7021   0.764976 0.362514  0.698039 0.343801  
1 1 1 69 28 7  o 1.22197  0.409771  3.23823      1.18141  3.5246       1.75366  3.00026      1.59861  1.0026   0.44337   0.97433  0.427666  
1 1 1 69 29 0  o 0.509606 0.369022  -0.993527    1.82536  -0.993527    1.82536  -0.993527    1.82536  0.436658 0.316083  ?        ?         
1 1 1 69 29 1  o 0.743966 0.349929  0.80511      1.35213  1.3961       1.79748  0.0347997    2.05214  0.793942 0.382433  0.715893 0.356745  
1 1 1 69 29 2  o 0.528786 0.264233  -1.45573     1.16423  -1.12116     1.58894  -1.84358     1.71075  0.614217 0.307108  0.596053 0.300942  
1 1 1 69 29 3  o 0.84072  0.365858  1.52198      1.14946  -0.150736    1.58587  3.37339      1.66843  0.66758  0.329049  1.00733  0.439561  
1 1 1 69 29 4  o 0.702122 0.328938  0.580721     1.15945  -0.721518    1.52707  2.35328      1.78162  0.627084 0.311825  0.863397 0.405078  
1 1 1 70 0  0  o 5.43736  0.171217  29.8992      1.85775  29.8992      1.85775  29.8992      1.85775  5.45269  0.12059   ?        ?         
1 1 1 70 0  1  o 1.42669  0.401323  2.53292      0.990249 2.53292      0.990249 2.53292      0.990249 1.52222  0.250453  ?        ?         
1 1 1 70 0  2  o 2.38109  0.185407  5.82646      0.87063  5.82646      0.87063  5.82646      0.87063  2.39775  0.129234  ?        ?         
1 1 1 70 0  3  o 2.35438  0.189546  5.70598      0.87922  5.70598      0.87922  5.70598      0.87922  2.3719   0.131991  ?        ?         
1 1 1 70 0  4  o 0.879978 0.405975  1.17625      0.7806   1.17625      0.7806   1.17625      0.7806   0.940578 0.325892  ?        ?         
1 1 1 70 0  5  o 0.688171 0.381731  0.700062     0.761593 0.700062     0.761593 0.700062     0.761593 0.677552 0.334492  ?        ?         
1 1 1 70 0  6  o 2.28058  0.184271  5.35362      0.827865 5.35362      0.827865 5.35362      0.827865 2.29752  0.128311  ?        ?         
1 1 1 70 0  7  o 2.22087  0.195034  5.10098      0.850924 5.10098      0.850924 5.10098      0.850924 2.24013  0.135433  ?        ?         
1 1 1 70 0  8  o 2.58594  0.170207  6.83351      0.871542 6.83351      0.871542 6.83351      0.871542 2.60016  0.119076  ?        ?         
1 1 1 70 0  9  o 4.68805  0.120175  22.1249      1.1251   22.1249      1.1251   22.1249      1.1251   4.69587  0.0847715 ?        ?         
1 1 1 70 0  10 f 1.71027  0.266652  3.19317      0.845984 3.19317      0.845984 3.19317      0.845984 1.75264  0.174634  ?        ?         
1 1 1 70 0  11 o 0.765816 0.4067    0.914584     0.83076  0.914584     0.83076  0.914584     0.83076  0.779602 0.352564  ?        ?         
1 1 1 70 0  12 o 0.394636 0.278904  -0.786183    0.824589 -0.786183    0.824589 -0.786183    0.824589 0.305242 0.219793  ?        ?         
1 1 1 70 0  13 o 1.0171   0.434663  1.5486       0.896176 1.5486       0.896176 1.5486       0.896176 1.10725  0.32931   ?        ?         
1 1 1 70 0  14 o 1.85786  0.267894  3.74892      0.934954 3.74892      0.934954 3.74892      0.934954 1.90035  0.177504  ?        ?         
1 1 1 70 0  15 o 2.05045  0.250835  4.49835      0.993885 4.49835      0.993885 4.49835      0.993885 2.0874   0.170978  ?        ?         
1 1 1 70 0  16 o 0.787252 0.431804  0.980584     0.960996 0.980584     0.960996 0.980584     0.960996 0.793481 0.377787  ?        ?         
1 1 1 70 0  17 o 2.71782  0.207896  7.67975      1.11485  7.67975      1.11485  7.67975      1.11485  2.74506  0.144503  ?        ?         
1 1 1 70 0  18 o 1.23368  0.45014   2.18016      1.01986  2.18016      1.01986  2.18016      1.01986  1.35989  0.304106  ?        ?         
1 1 1 70 0  19 f 2.58386  0.213978  6.99789      1.08833  6.99789      1.08833  6.99789      1.08833  2.61524  0.14822   ?        ?         
1 1 1 70 0  20 o 1.70707  0.352532  3.45366      1.06222  3.45366      1.06222  3.45366      1.06222  1.79397  0.21647   ?        ?         
1 1 1 70 0  21 o 1.73469  0.375693  3.65369      1.1419   3.65369      1.1419   3.65369      1.1419   1.83655  0.227718  ?        ?         
1 1 1 70 0  22 f 1.29749  0.474454  2.53494      1.13167  2.53494      1.13167  2.53494      1.13167  1.45528  0.313571  ?        ?         
1 1 1 70 0  23 o 0.549144 0.373459  -0.208073    1.19066  -0.208073    1.19066  -0.208073    1.19066  0.463314 0.3147    ?        ?         
1 1 1 70 0  24 o 0.537047 0.369775  -0.309353    1.23684  -0.309353    1.23684  -0.309353    1.23684  0.451799 0.311034  ?        ?         
1 1 1 70 0  25 o 0.710853 0.441638  0.893112     1.22537  0.893112     1.22537  0.893112     1.22537  0.699446 0.399668  ?        ?         
1 1 1 70 0  26 o 0.740088 0.459416  1.06132      1.32388  1.06132      1.32388  1.06132      1.32388  0.742296 0.418583  ?        ?         
1 1 1 70 0  27 o 0.736875 0.456899  1.23068      1.30653  1.23068      1.30653  1.23068      1.30653  0.768352 0.422785  ?        ?         
1 1 1 70 0  28 o 0.615837 0.415079  0.465438     1.42232  0.465438     1.42232  0.465438     1.42232  0.574344 0.374008  ?        ?         
1 1 1 70 0  29 o 0.746811 0.475217  1.73548      1.51237  1.73548      1.51237  1.73548      1.51237  0.829011 0.455281  ?        ?         
1 1 1 70 1  0  o 7.62914  0.1396    58.5947      2.12844  58.5947      2.12844  58.5947      2.12844  7.64193  0.0985092 ?        ?         
1 1 1 70 1  1  o 5.16756  0.0841264 26.8148      0.869457 26.7944      1.21409  26.8363      1.24571  5.15534  0.117751  5.1583   0.120748  
1 1 1 70 1  2  o 3.24585  0.101778  10.5999      0.660715 10.318       0.905707 10.9207      0.965988 3.19326  0.141815  3.28373  0.147087  
1 1 1 70 1  3  o 3.64395  0.0940053 13.3482      0.685101 13.3457      0.966566 13.3506      0.971209 3.63408  0.132986  3.63457  0.133607  
1 1 1 70 1  4  o 2.25228  0.129586  5.12402      0.583729 5.33168      0.833081 4.92374      0.818156 2.28622  0.182196  2.19604  0.18628   
1 1 1 70 1  5  o 2.3464   0.121924  5.55559      0.572165 5.36469      0.805753 5.74976      0.812616 2.29451  0.175583  2.37658  0.170963  
1 1 1 70 1  6  o 2.94066  0.106041  8.70805      0.623664 8.0246       0.903595 9.32985      0.861872 2.81     0.160782  3.03528  0.141976  
1 1 1 70 1  7  o 3.16824  0.102131  10.1048      0.647149 10.9969      0.958275 9.35683      0.877468 3.29373  0.14547   3.03851  0.144391  
1 1 1 70 1  8  o 4.82727  0.0825231 23.4078      0.796723 24.1107      1.16419  22.7886      1.09268  4.88727  0.119105  4.7529   0.114949  
1 1 1 70 1  9  o 2.07943  0.143953  4.38647      0.598682 4.51712      0.840535 4.25193      0.85293  2.09622  0.200488  2.03109  0.209969  
1 1 1 70 1  10 o 2.22599  0.144596  5.03184      0.643739 4.57427      0.911695 5.4868       0.909081 2.10259  0.216803  2.30961  0.196804  
1 1 1 70 1  11 o 2.46884  0.129149  6.17164      0.637698 5.93903      0.910873 6.39525      0.893074 2.40481  0.189386  2.49907  0.178681  
1 1 1 70 1  12 o 1.25596  0.255854  1.70882      0.620395 1.39351      0.864161 2.04418      0.891208 1.12225  0.348645  1.34883  0.332131  
1 1 1 70 1  13 o 3.5157   0.107768  12.4733      0.757756 12.9195      1.05444  11.9968      1.08968  3.56374  0.147941  3.42967  0.158861  
1 1 1 70 1  14 o 1.26784  0.266982  1.76332      0.655716 2.73351      0.925779 0.786634     0.928873 1.56918  0.305903  0.936865 0.356928  
1 1 1 70 1  15 o 2.44759  0.144187  6.10107      0.705822 6.06834      0.989538 6.13497      1.00706  2.4188   0.204551  2.43094  0.207134  
1 1 1 70 1  16 o 1.56963  0.225037  2.59079      0.70645  3.20243      0.986421 1.94674      1.01222  1.69352  0.3021    1.28633  0.372234  
1 1 1 70 1  17 o 0.846515 0.314004  0.68886      0.70691  0.299866     1.02261  1.04488      0.978307 0.831495 0.352971  0.999915 0.369697  
1 1 1 70 1  18 o 0.886817 0.313757  0.826689     0.69739  0.881119     0.984124 0.771784     0.988408 0.950834 0.365938  0.924335 0.364213  
1 1 1 70 1  19 o 0.840278 0.318487  0.67157      0.736428 1.82111      1.05215  -0.432423    1.0311   1.21798  0.385832  0.700938 0.321563  
1 1 1 70 1  20 o 0.856328 0.321977  0.738901     0.748263 0.105585     1.1213   1.24734      1.00469  0.806567 0.355881  1.03655  0.375596  
1 1 1 70 1  21 o 0.957597 0.330664  1.07336      0.77053  0.139343     1.09495  1.98966      1.08451  0.79379  0.350774  1.23366  0.391815  
1 1 1 70 1  22 o 0.685555 0.304367  0.00336504   0.837489 -0.929215    1.14732  1.06702      1.2253   0.657844 0.314098  0.981957 0.398513  
1 1 1 70 1  23 o 1.02982  0.351925  1.36133      0.871401 0.778861     1.2003   2.01045      1.26711  0.906477 0.383483  1.182    0.422446  
1 1 1 70 1  24 o 1.74879  0.256443  3.56294      0.896927 4.61774      1.27661  2.5347       1.26043  1.86632  0.354818  1.27673  0.423254  
1 1 1 70 1  25 o 0.704815 0.311825  0.219498     0.868755 0.36236      1.24942  0.0857745    1.2088   0.80354  0.363521  0.758516 0.348058  
1 1 1 70 1  26 o 0.640066 0.297943  -0.138854    0.926073 -0.598957    1.32688  0.298129     1.29311  0.679938 0.327778  0.7697   0.355885  
1 1 1 70 1  27 o 0.728272 0.328372  0.481353     1.01108  0.684784     1.43276  0.279546     1.42703  0.793253 0.369768  0.749712 0.354968  
1 1 1 70 1  28 o 0.624034 0.297039  -0.220055    1.01116  -0.613839    1.43394  0.169429     1.42608  0.662558 0.32405   0.727239 0.347935  
1 1 1 70 2  0  o 4.28131  0.127462  18.4686      1.08922  18.4686      1.08922  18.4686      1.08922  4.2894   0.0898679 ?        ?         
1 1 1 70 2  1  o 2.44091  0.133282  6.02255      0.650659 6.88982      0.9028   5.08515      0.938586 2.60092  0.173554  2.22486  0.210931  
1 1 1 70 2  2  o 2.73185  0.114681  7.52311      0.626582 7.03193      0.862661 8.07161      0.911606 2.63003  0.164002  2.81839  0.161724  
1 1 1 70 2  3  o 2.97616  0.107166  8.92035      0.637884 8.64815      0.907039 9.18672      0.897249 2.91888  0.155375  3.01018  0.149036  
1 1 1 70 2  4  o 3.42659  0.0951042 11.808       0.651766 11.8163      0.941922 11.8003      0.902796 3.41701  0.137828  3.41634  0.132129  
1 1 1 70 2  5  f 1.9237   0.14863   3.75282      0.571839 4.21261      0.816042 3.30921      0.801559 2.02618  0.201374  1.79047  0.22384   
1 1 1 70 2  6  o 2.30688  0.12632   5.37731      0.582809 3.92096      0.852038 6.65786      0.798955 1.94975  0.218499  2.55986  0.156055  
1 1 1 70 2  7  o 3.87049  0.0884571 15.0599      0.684744 14.786       0.991737 15.3096      0.94659  3.82356  0.129688  3.89333  0.121566  
1 1 1 70 2  8  o 2.01794  0.151469  4.13832      0.61131  3.42575      0.88072  4.80078      0.849187 1.81342  0.242834  2.16175  0.196412  
1 1 1 70 2  9  o 0.612867 0.262898  0.0166111    0.577837 -0.500592    0.843126 0.474721     0.7935   0.63494  0.291073  0.822438 0.325613  
1 1 1 70 2  10 o 3.60899  0.0982686 13.1195      0.709301 13.4421      0.993755 12.7845      1.01272  3.64092  0.13647   3.54846  0.142699  
1 1 1 70 2  11 o 2.59823  0.127827  6.83491      0.664252 6.10132      0.900355 7.71112      0.983994 2.43857  0.184607  2.74342  0.179337  
1 1 1 70 2  12 o 0.83498  0.300398  0.658712     0.641653 1.35725      0.875904 -0.150318    0.942634 1.10934  0.352099  0.735114 0.325075  
1 1 1 70 2  13 o 2.22111  0.149472  5.02847      0.663988 5.41163      0.945654 4.65588      0.932524 2.28459  0.206963  2.11398  0.220561  
1 1 1 70 2  14 o 0.831372 0.299389  0.661726     0.637486 1.27117      0.894778 0.0335058    0.90846  1.07559  0.356614  0.752825 0.326391  
1 1 1 70 2  15 o 3.37067  0.112986  11.5035      0.761677 12.028       1.07147  10.9677      1.08297  3.42754  0.156303  3.26829  0.165679  
1 1 1 70 2  16 o 2.15772  0.163315  4.79239      0.704775 5.0594       1.00021  4.5291       0.993231 2.18712  0.22866   2.06326  0.240695  
1 1 1 70 2  17 o 1.61959  0.212837  2.76627      0.689417 2.57503      0.973485 2.95868      0.976487 1.48392  0.335802  1.60723  0.315012  
1 1 1 70 2  18 o 1.89898  0.194385  3.77845      0.738266 3.48156      1.10055  4.02135      0.995473 1.73128  0.329704  1.92535  0.258517  
1 1 1 70 2  19 f 1.58616  0.233262  2.70688      0.739983 3.26981      1.05993  2.17161      1.03355  1.66741  0.329567  1.32393  0.373914  
1 1 1 70 2  20 o 1.54117  0.252815  2.61476      0.779261 2.8592       1.14564  2.40428      1.06307  1.50037  0.380951  1.37678  0.375703  
1 1 1 70 2  21 o 2.00736  0.199892  4.32217      0.80251  4.298        1.09474  4.35024      1.17988  1.93718  0.282559  1.92789  0.306003  
1 1 1 70 2  22 f 0.997268 0.345872  1.23158      0.843823 2.34762      1.22853  0.234824     1.16102  1.29313  0.41766   0.813084 0.360006  
1 1 1 70 2  23 o 1.94438  0.249183  4.3195       0.969014 4.86323      1.25414  3.51404      1.52641  1.99029  0.315064  1.4833   0.463878  
1 1 1 70 2  24 o 0.736913 0.317105  0.393197     0.845357 1.18663      1.19157  -0.410841    1.1995   0.944486 0.389733  0.698631 0.328891  
1 1 1 70 2  25 o 0.733792 0.325049  0.303692     0.947965 0.0639607    1.4125   0.500159     1.27871  0.785111 0.366426  0.820888 0.369754  
1 1 1 70 2  26 o 0.788472 0.337283  0.774054     0.946446 -0.371038    1.42959  1.66758      1.26282  0.704656 0.339826  0.962976 0.399531  
1 1 1 70 2  27 o 1.06319  0.379686  1.99802      1.0234   2.68057      1.44756  1.31594      1.44705  1.09959  0.438386  0.872431 0.393135  
1 1 1 70 2  28 o 0.542091 0.267004  -0.910714    1.0207   -0.219552    1.50013  -1.50652     1.39281  0.671931 0.32931   0.575447 0.287723  
1 1 1 70 3  0  o 0.691856 0.397616  0.677338     0.863199 0.677338     0.863199 0.677338     0.863199 0.666153 0.350036  ?        ?         
1 1 1 70 3  1  o 2.3847   0.133243  5.75113      0.635489 7.09495      0.928017 4.56457      0.872027 2.63753  0.175925  2.10769  0.206868  
1 1 1 70 3  2  o 3.46555  0.099574  12.0864      0.690157 11.666       0.967845 12.5214      0.984425 3.39331  0.142611  3.51636  0.139978  
1 1 1 70 3  3  o 2.55631  0.121328  6.59715      0.620304 6.79692      0.863609 6.38426      0.891541 2.58364  0.16713   2.5009   0.178244  
1 1 1 70 3  4  o 6.11274  0.0805365 37.5255      0.984599 37.7388      1.42675  37.3315      1.36048  6.11571  0.116646  6.08484  0.111792  
1 1 1 70 3  5  o 3.06585  0.101575  9.46484      0.622829 8.82237      0.901385 10.0518      0.86159  2.94708  0.152928  3.15065  0.136732  
1 1 1 70 3  6  o 2.08707  0.137899  4.41367      0.575608 4.29262      0.844931 4.51851      0.786293 2.0416   0.206928  2.10017  0.187197  
1 1 1 70 3  7  o 0.950421 0.279422  0.97506      0.565998 0.801562     0.835397 1.12228      0.769538 0.928825 0.341909  1.02357  0.330552  
1 1 1 70 3  8  o 2.69353  0.118417  7.33113      0.637921 7.30182      0.932747 7.35689      0.87439  2.67203  0.174539  2.68598  0.16277   
1 1 1 70 3  9  f 0.708167 0.28256   0.31372      0.601818 1.12055      0.882192 -0.388604    0.823079 1.03422  0.354098  0.644029 0.292699  
1 1 1 70 3  10 o 1.25483  0.262599  1.71244      0.637749 1.64794      0.909526 1.77482      0.894489 1.21041  0.353683  1.25446  0.345651  
1 1 1 70 3  11 f 3.28398  0.110227  10.8869      0.723965 10.7264      0.986709 11.074       1.06551  3.24595  0.151991  3.29426  0.161722  
1 1 1 70 3  12 o 1.51186  0.209793  2.37186      0.634356 1.46407      0.887695 3.31922      0.906841 1.14113  0.35313   1.77306  0.255727  
1 1 1 70 3  13 o 3.98042  0.11141   16.017       0.886919 15.2926      1.1971   16.8986      1.32056  3.86996  0.154665  4.06375  0.162481  
1 1 1 70 3  14 o 2.76655  0.132654  7.78221      0.73399  6.91838      1.00469  8.77098      1.0749   2.58424  0.194389  2.91482  0.184385  
1 1 1 70 3  15 o 3.79891  0.113022  14.629       0.858719 15.8389      1.15507  13.1339      1.28395  3.93476  0.146778  3.56276  0.18019   
1 1 1 70 3  16 o 2.29565  0.156731  5.42209      0.719599 5.79781      1.03983  5.07677      0.99686  2.34104  0.222088  2.18749  0.227855  
1 1 1 70 3  17 o 1.09665  0.301994  1.38474      0.683046 1.18255      0.989413 1.56883      0.944122 1.03296  0.372884  1.14857  0.365655  
1 1 1 70 3  18 o 1.7681   0.212309  3.31441      0.750767 2.62414      1.05323  4.02747      1.07047  1.47127  0.360312  1.90868  0.280422  
1 1 1 70 3  19 o 2.08777  0.186429  4.58736      0.778442 4.27446      1.05027  4.96879      1.1596   1.96467  0.267289  2.11268  0.274438  
1 1 1 70 3  20 o 1.28837  0.313278  2.00078      0.800565 0.820711     1.13997  3.1491       1.12453  0.930626 0.382131  1.5827   0.36282   
1 1 1 70 3  21 o 0.886131 0.335471  0.86589      0.816267 0.293113     1.14371  1.46055      1.16535  0.822421 0.361357  1.06818  0.401779  
1 1 1 70 3  22 o 0.670692 0.298742  0.00191069   0.813699 1.01995      1.19462  -0.879182    1.11137  0.953102 0.391242  0.644485 0.308057  
1 1 1 70 3  23 o 0.573017 0.275209  -0.829776    0.914105 -1.86217     1.24449  0.379851     1.34708  0.587148 0.289903  0.836773 0.378066  
1 1 1 70 3  24 o 0.590734 0.283245  -0.747175    0.958198 -0.967827    1.39834  -0.551855    1.31563  0.686957 0.332253  0.707305 0.337388  
1 1 1 70 3  25 o 0.875951 0.352945  1.0661       0.951461 0.679149     1.45161  1.35755      1.25982  0.842002 0.384294  0.937519 0.39456   
1 1 1 70 3  26 o 0.595599 0.284311  -0.391986    0.938621 -0.418917    1.41024  -0.370567    1.25765  0.686886 0.332469  0.66651  0.320767  
1 1 1 70 3  27 o 0.96656  0.375479  1.67952      1.04117  2.30197      1.50158  1.10314      1.44492  1.00712  0.427631  0.83801  0.382861  
1 1 1 70 4  0  o 4.41597  0.120116  19.6382      1.05908  19.6382      1.05908  19.6382      1.05908  4.42375  0.0847135 ?        ?         
1 1 1 70 4  1  o 1.80206  0.169779  3.31045      0.611901 3.4599       0.860515 3.15759      0.870285 1.82622  0.2356    1.74067  0.249986  
1 1 1 70 4  2  o 2.4353   0.12689   5.99561      0.618031 6.60897      0.91383  5.47858      0.839011 2.54302  0.179674  2.31492  0.181218  
1 1 1 70 4  3  o 2.08049  0.147497  4.39348      0.613731 3.9147       0.86645  4.87558      0.869451 1.94553  0.222677  2.17832  0.199569  
1 1 1 70 4  4  o 4.34954  0.0873613 19.0205      0.759963 18.696       1.14891  19.2729      1.01332  4.2969   0.13369   4.36942  0.115956  
1 1 1 70 4  5  o 1.00113  0.280859  1.09203      0.585041 2.29918      0.895727 0.193933     0.772605 1.43898  0.319639  0.743099 0.310665  
1 1 1 70 4  6  o 2.29033  0.1272    5.30885      0.582658 5.64638      0.866709 5.03052      0.787045 2.34668  0.184667  2.2171   0.177495  
1 1 1 70 4  7  o 2.01581  0.151538  4.13355      0.610944 4.65956      0.890355 3.66552      0.839864 2.12389  0.209605  1.87969  0.223405  
1 1 1 70 4  8  o 3.05183  0.11311   9.40396      0.690388 8.79106      0.966665 10.0421      0.986344 2.93493  0.164683  3.13967  0.157077  
1 1 1 70 4  9  o 0.816957 0.29496   0.622315     0.619116 0.243127     0.896627 0.96785      0.855916 0.798114 0.334233  0.981315 0.347552  
1 1 1 70 4  10 o 0.661608 0.277198  0.13435      0.617212 0.262478     0.894883 0.0180978    0.852405 0.800935 0.334563  0.732206 0.316788  
1 1 1 70 4  11 o 1.52107  0.210944  2.40208      0.641723 2.16306      0.867144 2.69146      0.954148 1.38736  0.318988  1.55148  0.31844   
1 1 1 70 4  12 o 4.71399  0.0979512 22.4094      0.923482 23.3706      1.25511  21.2749      1.36363  4.79828  0.130788  4.56785  0.149264  
1 1 1 70 4  13 o 1.50482  0.217541  2.36516      0.654723 1.96726      0.914705 2.7832       0.937554 1.30732  0.344836  1.57835  0.307992  
1 1 1 70 4  14 o 2.38751  0.149204  5.83353      0.712451 6.04405      1.02782  5.63883      0.98845  2.40154  0.213991  2.32013  0.213016  
1 1 1 70 4  15 o 1.47134  0.231383  2.29846      0.680887 1.88647      0.968524 2.70106      0.957411 1.25848  0.364091  1.53159  0.322669  
1 1 1 70 4  16 o 1.58858  0.217702  2.67076      0.691673 2.90138      0.984326 2.44581      0.972136 1.585    0.321718  1.43932  0.34225   
1 1 1 70 4  17 o 0.618072 0.275372  -0.13691     0.691751 0.0110637    1.0125   -0.266445    0.947319 0.766237 0.338119  0.696433 0.315724  
1 1 1 70 4  18 o 2.50091  0.154989  6.47142      0.775227 6.7235       1.03164  6.14444      1.17496  2.51799  0.204855  2.37641  0.247213  
1 1 1 70 4  19 o 2.80851  0.158245  8.20652      0.888867 8.30804      1.12432  8.0373       1.45154  2.79168  0.201371  2.67948  0.270863  
1 1 1 70 4  20 f 1.68853  0.238682  3.14889      0.806044 3.69053      1.11978  2.56645      1.16119  1.7362   0.334413  1.38156  0.398327  
1 1 1 70 4  21 o 2.10959  0.206723  4.81949      0.872202 4.83697      1.20305  4.80013      1.26635  2.03329  0.295838  2.00537  0.315738  
1 1 1 70 4  22 o 1.12991  0.346587  1.70086      0.857654 1.58423      1.24337  1.80673      1.18457  1.05837  0.410492  1.1163   0.407508  
1 1 1 70 4  23 o 1.00059  0.369713  1.41646      0.978079 -0.938816    1.49873  3.16367      1.29085  0.714283 0.34521   1.42454  0.422869  
1 1 1 70 4  24 o 0.850386 0.35013   0.866442     0.959608 1.53863      1.40291  0.275419     1.31549  0.997369 0.417896  0.796645 0.364524  
1 1 1 70 4  25 o 0.692063 0.317552  0.161966     1.00607  -0.573956    1.47226  0.806676     1.378    0.696407 0.337698  0.827193 0.376685  
1 1 1 70 4  26 o 0.658823 0.308573  0.00122868   1.01788  -1.37562     1.44151  1.37047      1.43751  0.619404 0.307309  0.877332 0.393752  
1 1 1 70 4  27 o 1.01791  0.384411  2.0542       1.06961  3.38397      1.61931  1.02492      1.42465  1.10473  0.454835  0.794587 0.369744  
1 1 1 70 5  0  o 1.58827  0.313599  2.87002      0.884986 2.87002      0.884986 2.87002      0.884986 1.64959  0.195943  ?        ?         
1 1 1 70 5  1  o 3.21073  0.10604   10.3932      0.680932 9.47933      0.949102 11.3626      0.977492 3.05219  0.155479  3.34503  0.146111  
1 1 1 70 5  2  o 2.3593   0.124438  5.62967      0.587175 4.78845      0.849624 6.3988       0.812406 2.15783  0.19687   2.50558  0.16212   
1 1 1 70 5  3  o 1.94554  0.150208  3.84867      0.584471 3.78995      0.847512 3.90192      0.8071   1.91229  0.221596  1.94454  0.20753   
1 1 1 70 5  4  o 2.21477  0.137968  4.97499      0.611135 4.5892       0.925135 5.27368      0.814035 2.1047   0.219778  2.26941  0.179349  
1 1 1 70 5  5  o 1.3969   0.208493  2.01505      0.582489 1.51803      0.896858 2.37767      0.766048 1.16678  0.353726  1.48269  0.268168  
1 1 1 70 5  6  o 2.29567  0.134046  5.34171      0.615452 6.04326      0.903887 4.73533      0.840343 2.42667  0.18624   2.14517  0.195869  
1 1 1 70 5  7  o 0.678141 0.278719  0.206472     0.60703  0.0094387    0.876155 0.388362     0.841814 0.74068  0.320822  0.814    0.33033   
1 1 1 70 5  8  o 2.5623   0.129302  6.64975      0.662621 7.01798      0.965132 6.32142      0.911354 2.6151   0.184531  2.48225  0.183574  
1 1 1 70 5  9  o 1.99507  0.161309  4.06376      0.643645 4.10918      0.933992 4.02268      0.888232 1.98331  0.235463  1.96566  0.225937  
1 1 1 70 5  10 o 3.17096  0.113803  10.1684      0.721732 9.43181      1.01876  10.9105      1.02262  3.03427  0.167876  3.26861  0.15643   
1 1 1 70 5  11 o 0.973361 0.304714  1.03284      0.658418 1.76639      0.915204 0.245849     0.947947 1.24206  0.352198  0.81061  0.341755  
1 1 1 70 5  12 o 0.838026 0.300551  0.683332     0.641862 0.506951     0.913049 0.855663     0.902503 0.857104 0.345583  0.94713  0.354103  
1 1 1 70 5  13 o 3.75687  0.105275  14.2769      0.79101  14.1985      1.12464  14.3537      1.11277  3.72433  0.150985  3.74603  0.148526  
1 1 1 70 5  14 o 2.42105  0.14367   5.9993       0.695664 5.86601      0.993579 6.12749      0.974338 2.36299  0.210238  2.41992  0.201316  
1 1 1 70 5  15 o 2.72609  0.136446  7.60051      0.743928 7.00535      1.01035  8.30524      1.09943  2.5875   0.195237  2.81743  0.195113  
1 1 1 70 5  16 f 0.586205 0.26549   -0.245731    0.668228 0.465038     0.918396 -1.04533     0.974096 0.831662 0.342493  0.601762 0.28782   
1 1 1 70 5  17 o 1.96934  0.185678  4.06424      0.731324 4.26814      0.988949 3.81817      1.0864   1.9818   0.249508  1.84584  0.294284  
1 1 1 70 5  18 o 1.52205  0.239187  2.52286      0.728108 3.07853      1.00068  1.89773      1.0614   1.61118  0.321929  1.21981  0.387636  
1 1 1 70 5  19 o 2.15396  0.186645  4.92552      0.80405  4.50616      1.09549  5.41525      1.18384  1.99328  0.274796  2.18925  0.270374  
1 1 1 70 5  20 o 0.81029  0.321147  0.62727      0.772646 0.828457     1.03524  0.37428      1.1609   0.905356 0.366765  0.838711 0.366314  
1 1 1 70 5  21 o 1.25855  0.335482  2.03339      0.860059 1.30654      1.22777  2.73372      1.20516  1.012    0.403649  1.38902  0.407529  
1 1 1 70 5  22 o 0.886465 0.349534  0.954935     0.91093  1.04481      1.41849  0.891859     1.18835  0.942975 0.408326  0.897097 0.380645  
1 1 1 70 5  23 o 0.831023 0.346424  0.75691      0.956446 0.834032     1.44868  0.697317     1.27344  0.895325 0.398711  0.857934 0.378809  
1 1 1 70 5  24 o 0.630212 0.296047  -0.31339     0.961818 0.664913     1.5468   -0.930105    1.22811  0.849418 0.391402  0.634372 0.307871  
1 1 1 70 5  25 o 0.809011 0.356387  0.881992     1.11836  2.91099      1.59898  -1.06112     1.56477  1.11323  0.45408   0.665922 0.327958  
1 1 1 70 5  26 o 0.862606 0.364579  1.21341      1.0832   0.0128863    1.57964  2.27895      1.48819  0.73988  0.356912  1.01284  0.427667  
1 1 1 70 5  27 o 1.20128  0.394121  2.95613      1.09289  2.95555      1.60932  2.95663      1.48886  0.96511  0.426025  0.999948 0.425236  
1 1 1 70 6  0  o 3.47741  0.142927  12.2456      0.990215 12.2456      0.990215 12.2456      0.990215 3.48846  0.100547  ?        ?         
1 1 1 70 6  1  o 2.30479  0.135196  5.38502      0.623195 5.68103      0.906299 5.11952      0.85832  2.35093  0.192754  2.23187  0.192287  
1 1 1 70 6  2  o 1.45789  0.195131  2.18637      0.568958 2.11802      0.825607 2.24819      0.785171 1.38314  0.306567  1.43533  0.283609  
1 1 1 70 6  3  o 0.794216 0.282079  0.598845     0.564165 1.51415      0.82623  -0.200678    0.772206 1.16485  0.33605   0.655574 0.291545  
1 1 1 70 6  4  o 0.853337 0.285842  0.743818     0.574868 0.285482     0.847471 1.13447      0.782395 0.791445 0.327764  1.02735  0.333455  
1 1 1 70 6  5  o 1.4018   0.210866  2.03164      0.591184 1.3316       0.854562 2.67419      0.818711 1.10052  0.347629  1.59571  0.256536  
1 1 1 70 6  6  o 3.6094   0.0967952 13.1214      0.698745 12.5272      0.977357 13.7426      0.999358 3.51337  0.139091  3.68114  0.13574   
1 1 1 70 6  7  o 2.14779  0.139846  4.68372      0.600718 4.21824      0.881339 5.08761      0.820959 2.01641  0.218541  2.22608  0.184395  
1 1 1 70 6  8  o 3.21187  0.109058  10.4182      0.700558 9.6604       0.954321 11.3038      1.03167  3.07756  0.155045  3.3291   0.154948  
1 1 1 70 6  9  o 0.648235 0.275139  0.0857815    0.621208 -0.765558    0.865392 0.990818     0.892266 0.601371 0.282175  0.988445 0.354374  
1 1 1 70 6  10 o 2.58705  0.136991  6.80367      0.708806 6.27021      1.04157  7.26381      0.967344 2.45567  0.212074  2.65648  0.182072  
1 1 1 70 6  11 o 1.17886  0.292873  1.55718      0.688306 1.4547       1.01019  1.64598      0.940375 1.1363   0.378917  1.19609  0.362125  
1 1 1 70 6  12 o 2.31055  0.158041  5.47747      0.730325 4.93064      1.0906   5.92205      0.983374 2.14999  0.25363   2.38148  0.206462  
1 1 1 70 6  13 o 2.95113  0.126675  8.86758      0.747667 8.85951      1.07544  8.87513      1.04017  2.92066  0.184108  2.92697  0.177687  
1 1 1 70 6  14 o 0.603102 0.270032  -0.177446    0.67253  1.1538       1.01648  -1.2139      0.896904 1.03024  0.377352  0.552665 0.267092  
1 1 1 70 6  15 o 1.45928  0.230357  2.27155      0.672312 3.13941      0.918695 1.27085      0.986507 1.6951   0.270986  1.05643  0.373229  
1 1 1 70 6  16 o 2.52836  0.145717  6.5763       0.736851 6.98756      1.02945  6.14424      1.05516  2.57439  0.199941  2.40124  0.219711  
1 1 1 70 6  17 o 0.923704 0.31771   0.962586     0.710743 0.520335     0.967129 1.48191      1.04802  0.844911 0.350037  1.10119  0.385116  
1 1 1 70 6  18 o 1.64609  0.230562  2.95279      0.759051 2.20267      1.04409  3.79367      1.10546  1.30596  0.378092  1.78169  0.32203   
1 1 1 70 6  19 o 0.882617 0.319757  0.882092     0.728132 0.827334     0.99227  0.945978     1.07179  0.901291 0.36156   0.939691 0.376265  
1 1 1 70 6  20 o 1.5453   0.291159  2.8377       0.866885 2.42713      1.26134  3.20524      1.1934   1.30391  0.423406  1.5506   0.385891  
1 1 1 70 6  21 o 0.877659 0.351971  0.875738     0.939921 -0.0387146   1.44701  1.54319      1.23623  0.809221 0.375041  1.04482  0.408471  
1 1 1 70 6  22 o 1.0827   0.365862  1.68567      0.941787 -0.807912    1.44845  3.51196      1.23959  0.714341 0.343897  1.54533  0.398588  
1 1 1 70 6  23 o 0.630333 0.295761  -0.36868     0.950647 -0.339749    1.43344  -0.391395    1.27016  0.746195 0.354465  0.708621 0.335219  
1 1 1 70 6  24 o 0.7424   0.334423  0.452382     1.0462   -0.370706    1.57102  1.10826      1.40239  0.727048 0.351735  0.868433 0.389355  
1 1 1 70 6  25 o 0.796791 0.352576  0.855957     1.1113   0.471547     1.58022  1.2321       1.56314  0.779301 0.371129  0.85795  0.39457   
1 1 1 70 6  26 o 0.581988 0.284706  -0.789104    1.10848  0.822426     1.55576  -2.45072     1.57975  0.783864 0.3709    0.573879 0.289631  
1 1 1 70 7  0  o 1.97893  0.221188  4.12994      0.850505 4.12994      0.850505 4.12994      0.850505 2.00665  0.15185   ?        ?         
1 1 1 70 7  1  o 4.82531  0.0849418 23.4118      0.819741 22.8851      1.19597  23.8786      1.12579  4.7552   0.125754  4.86174  0.115781  
1 1 1 70 7  2  o 3.00883  0.107806  9.13346      0.648742 8.76449      0.961482 9.44182      0.878977 2.93046  0.16405   3.0486   0.144161  
1 1 1 70 7  3  o 1.70652  0.175041  2.98061      0.597421 3.04667      0.864885 2.92032      0.826202 1.70385  0.253803  1.67013  0.247347  
1 1 1 70 7  4  f 4.68732  0.0875711 22.1007      0.820947 20.6454      1.20298  23.3691      1.12312  4.51293  0.133281  4.80895  0.116774  
1 1 1 70 7  5  o 2.44906  0.129883  6.0777       0.636185 7.06066      0.926947 5.20238      0.874726 2.62511  0.176554  2.24755  0.194596  
1 1 1 70 7  6  o 0.45353  0.218455  -0.834175    0.586423 -0.0709081   0.830053 -1.59478     0.828605 0.704169 0.308631  0.491956 0.242269  
1 1 1 70 7  7  o 1.26218  0.247054  1.72673      0.601412 0.678792     0.847434 2.7901       0.853651 0.88812  0.340174  1.62247  0.263071  
1 1 1 70 7  8  o 0.813738 0.300833  0.603311     0.647757 1.81176      0.94447  -0.469963    0.890081 1.25622  0.358288  0.656158 0.300076  
1 1 1 70 7  9  o 2.58222  0.130026  6.76781      0.67151  6.45913      1.02304  7.00148      0.890098 2.49526  0.204996  2.61252  0.170353  
1 1 1 70 7  10 o 2.2094   0.153185  4.99191      0.676892 5.00541      1.04443  4.98214      0.888825 2.17789  0.23978   2.18912  0.20301   
1 1 1 70 7  11 o 1.43918  0.237662  2.19409      0.684077 2.69096      1.01878  1.78613      0.923141 1.52505  0.342431  1.23641  0.35473   
1 1 1 70 7  12 o 1.74785  0.194737  3.18649      0.680745 2.8708       1.02907  3.43213      0.907746 1.57222  0.337008  1.7881   0.25383   
1 1 1 70 7  13 o 1.06826  0.317337  1.31402      0.726774 1.18251      1.06413  1.42899      0.994978 1.04346  0.385617  1.10819  0.376052  
1 1 1 70 7  14 o 3.10376  0.133794  9.84925      0.83053  9.90845      1.12394  9.77805      1.23267  3.0842   0.182209  3.04984  0.202088  
1 1 1 70 7  15 o 1.18005  0.300055  1.61494      0.709968 1.90122      1.03842  1.36366      0.972873 1.24173  0.381465  1.07779  0.371612  
1 1 1 70 7  16 o 1.58368  0.23457   2.71212      0.742968 2.95905      1.04225  2.45701      1.05939  1.5689   0.341662  1.40465  0.371385  
1 1 1 70 7  17 o 1.8097   0.20394   3.49692      0.738139 3.37444      1.00209  3.64222      1.0914   1.69441  0.306991  1.74733  0.324455  
1 1 1 70 7  18 o 1.77663  0.21603   3.42599      0.767611 3.72606      1.04564  3.07527      1.13045  1.79611  0.291085  1.54711  0.369823  
1 1 1 70 7  19 o 0.961969 0.329411  1.12311      0.763473 1.92168      1.09004  0.354092     1.06968  1.1922   0.393607  0.813017 0.353353  
1 1 1 70 7  20 o 2.20872  0.207768  5.34871      0.917805 4.9166       1.38109  5.69046      1.22825  1.93032  0.370973  2.20186  0.278912  
1 1 1 70 7  21 o 1.08334  0.374356  1.68265      0.987765 1.47886      1.6126   1.80502      1.24963  1.01429  0.437235  1.08612  0.413934  
1 1 1 70 7  22 o 0.767228 0.330236  0.488459     0.917277 0.759915     1.41347  0.290965     1.20563  0.880399 0.3929    0.785574 0.356154  
1 1 1 70 7  23 o 0.862123 0.360465  1.01216      1.04033  1.62706      1.51769  0.467146     1.42884  0.971301 0.421501  0.810292 0.37444   
1 1 1 70 7  24 o 0.633825 0.302293  -0.302494    1.05515  1.39237      1.58657  -1.64661     1.41289  0.88663  0.403868  0.601595 0.299259  
1 1 1 70 7  25 f 0.821181 0.349889  0.997779     1.01143  1.04629      1.55224  0.961989     1.33335  0.838356 0.388503  0.822241 0.373385  
1 1 1 70 7  26 o 0.642693 0.307321  0.0949229    1.10881  -1.84908     1.51707  2.32442      1.62465  0.567439 0.286183  0.881426 0.404061  
1 1 1 70 8  0  o 0.544479 0.346568  0.182582     0.804875 0.182582     0.804875 0.182582     0.804875 0.476433 0.298108  ?        ?         
1 1 1 70 8  1  o 3.49605  0.0981141 12.316       0.686025 12.0624      0.974164 12.5655      0.966255 3.44582  0.141355  3.5185   0.137311  
1 1 1 70 8  2  f 0.89683  0.285675  0.853903     0.576214 1.00801      0.80038  0.688094     0.830219 0.983689 0.337265  0.889934 0.33791   
1 1 1 70 8  3  o 1.38333  0.209975  1.98285      0.580928 2.2436       0.837348 1.74088      0.806625 1.42155  0.303446  1.24449  0.321783  
1 1 1 70 8  4  o 0.971344 0.285929  1.03124      0.592311 0.625083     0.814569 1.48694      0.862819 0.865491 0.33296   1.14971  0.346628  
1 1 1 70 8  5  o 0.489299 0.230931  -0.633287    0.598682 -1.86179     0.854117 0.553259     0.839404 0.479424 0.237546  0.851475 0.335596  
1 1 1 70 8  6  o 1.58482  0.196309  2.59663      0.622229 2.63301      0.873317 2.55912      0.886767 1.5448   0.293273  1.51826  0.30276   
1 1 1 70 8  7  o 2.03422  0.161772  4.23365      0.658158 4.30122      0.983926 4.17892      0.885404 2.02165  0.243348  2.00137  0.221199  
1 1 1 70 8  8  o 0.629748 0.271204  0.0208426    0.619269 0.113325     0.959865 -0.0450986   0.810513 0.785099 0.337871  0.698005 0.30546   
1 1 1 70 8  9  o 3.68407  0.103254  13.7166      0.760787 14.4024      1.15863  13.1969      1.00871  3.75096  0.154444  3.59788  0.140181  
1 1 1 70 8  10 o 2.02629  0.156438  4.21327      0.633976 2.94366      0.901364 5.45627      0.891866 1.65129  0.272927  2.28996  0.194734  
1 1 1 70 8  11 o 1.85878  0.179734  3.58277      0.668173 3.16198      0.928582 4.03457      0.962191 1.7072   0.27196   1.94136  0.247813  
1 1 1 70 8  12 o 0.580874 0.263012  -0.248523    0.655416 0.0355458    0.890593 -0.584145    0.968039 0.734012 0.320714  0.659804 0.306161  
1 1 1 70 8  13 o 0.837239 0.3059    0.698913     0.66762  0.643369     0.919129 0.760947     0.971349 0.876164 0.349318  0.916571 0.361087  
1 1 1 70 8  14 o 2.74893  0.131302  7.72927      0.721883 8.52142      0.971989 6.75487      1.07802  2.8648   0.169643  2.52353  0.213593  
1 1 1 70 8  15 o 0.813669 0.306283  0.644921     0.677471 -0.187811    0.918626 1.63788      1.00312  0.693945 0.312941  1.15328  0.377587  
1 1 1 70 8  16 o 1.038    0.324755  1.28945      0.748022 1.98708      1.04362  0.552381     1.07271  1.24553  0.382375  0.869693 0.364957  
1 1 1 70 8  17 o 1.72052  0.223465  3.22666      0.768952 2.52641      1.1178   3.85575      1.05947  1.38201  0.388383  1.82989  0.28949   
1 1 1 70 8  18 o 0.676803 0.297263  0.0719137    0.773368 -0.0645142   1.10008  0.205224     1.08744  0.752509 0.340735  0.793049 0.35012   
1 1 1 70 8  19 o 0.853892 0.326209  0.807315     0.777613 -0.245716    1.10275  1.8488       1.09669  0.71807  0.330727  1.15521  0.394806  
1 1 1 70 8  20 o 0.682318 0.311841  -0.120651    0.959542 -0.267209    1.50095  -0.0193555   1.24783  0.787916 0.37005   0.767224 0.352716  
1 1 1 70 8  21 o 0.852227 0.349196  0.846914     0.949921 1.76388      1.57721  0.324957     1.18995  1.04515  0.44074   0.790386 0.356315  
1 1 1 70 8  22 o 0.892054 0.36628   1.04228      1.04733  2.78615      1.55431  -0.407955    1.41742  1.21821  0.462413  0.734669 0.350383  
1 1 1 70 8  23 o 0.649735 0.306685  -0.223362    1.05645  -0.10974     1.50194  -0.334625    1.48627  0.738055 0.35406   0.71573  0.345494  
1 1 1 70 8  24 o 1.10611  0.375077  2.11209      0.989825 3.36634      1.58556  1.31115      1.26705  1.18797  0.462973  0.874222 0.382252  
1 1 1 70 8  25 o 0.694603 0.325134  0.290755     1.12379  2.72875      1.59186  -2.1315      1.58672  1.01532  0.435973  0.588379 0.296319  
1 1 1 70 9  0  o 1.82144  0.263213  3.60821      0.900228 3.60821      0.900228 3.60821      0.900228 1.86382  0.174269  ?        ?         
1 1 1 70 9  1  o 2.15125  0.146783  4.71508      0.631536 3.99884      0.843603 5.62825      0.95254  1.96054  0.215145  2.33034  0.204378  
1 1 1 70 9  2  o 0.828113 0.290708  0.678216     0.597648 1.35504      0.863634 0.0562411    0.8279   1.10209  0.349606  0.727504 0.313443  
1 1 1 70 9  3  o 2.08469  0.14963   4.43133      0.623866 4.6273       0.872247 4.22608      0.892666 2.112    0.206498  2.01281  0.221746  
1 1 1 70 9  4  o 0.738319 0.284496  0.427958     0.5952   0.578337     0.832956 0.271064     0.850809 0.855817 0.335146  0.783908 0.326756  
1 1 1 70 9  5  o 1.0023   0.292182  1.10772      0.621432 1.25888      0.885397 0.960958     0.872421 1.07074  0.35474   0.975385 0.350339  
1 1 1 70 9  6  o 1.62678  0.197976  2.7416       0.644124 2.50643      1.01817  2.89852      0.831713 1.47644  0.34974   1.65519  0.251243  
1 1 1 70 9  7  o 0.616935 0.269404  -0.0446627   0.627672 0.52311      0.973548 -0.448556    0.821114 0.875518 0.355261  0.627248 0.287422  
1 1 1 70 9  8  o 3.17085  0.107101  10.1737      0.679202 10.8492      0.986083 9.56393      0.936877 3.25556  0.151446  3.05578  0.153296  
1 1 1 70 9  9  o 1.42467  0.214643  2.13242      0.61159  2.86384      0.869399 1.41588      0.860507 1.62965  0.266745  1.10826  0.348633  
1 1 1 70 9  10 o 1.73152  0.18951   3.12317      0.656281 3.95729      0.882755 2.09245      0.981288 1.93154  0.228511  1.325    0.36069   
1 1 1 70 9  11 o 1.2773   0.270044  1.83104      0.668579 0.219375     0.873327 4.11298      1.03918  0.76556  0.325624  1.94553  0.267069  
1 1 1 70 9  12 o 1.19825  0.280235  1.6305       0.660276 2.32443      0.891303 0.78653      0.982951 1.41231  0.322502  0.924964 0.363604  
1 1 1 70 9  13 o 1.20991  0.281399  1.67103      0.668684 1.74838      0.890881 1.57123      1.01197  1.20645  0.349241  1.14177  0.37925   
1 1 1 70 9  14 o 2.86071  0.132923  8.39222      0.760511 8.3421       1.03552  8.45091      1.12056  2.82069  0.183558  2.82827  0.198099  
1 1 1 70 9  15 o 1.59105  0.223369  2.73047      0.710781 2.60428      0.950354 2.89067      1.07078  1.46967  0.331245  1.53049  0.356179  
1 1 1 70 9  16 o 1.26849  0.297035  1.91564      0.741081 1.46243      1.05235  2.36151      1.04379  1.07611  0.384948  1.35115  0.373865  
1 1 1 70 9  17 o 0.75037  0.31073   0.406916     0.761576 1.80176      1.13689  -0.728493    1.02573  1.15828  0.40149   0.640425 0.302262  
1 1 1 70 9  18 o 2.35672  0.17629   5.89878      0.830933 6.25456      1.18658  5.55643      1.16398  2.35581  0.251842  2.20869  0.2635    
1 1 1 70 9  19 o 0.47403  0.234525  -1.51853     0.824861 -1.23694     1.29533  -1.71061     1.06981  0.654004 0.317018  0.548033 0.270157  
1 1 1 70 9  20 f 0.598467 0.285771  -0.675182    0.950214 -2.01182     1.65312  -0.0156642   1.16121  0.672194 0.332431  0.739547 0.340102  
1 1 1 70 9  21 o 0.583809 0.282653  -0.982347    1.0219   -2.08729     1.5173   -0.065065    1.38246  0.631862 0.313734  0.768272 0.359795  
1 1 1 70 9  22 o 1.07969  0.381429  1.94226      1.03032  2.74176      1.53876  1.29252      1.38718  1.14412  0.453287  0.907078 0.398263  
1 1 1 70 9  23 o 0.702085 0.319276  0.331549     0.982587 0.557978     1.52817  0.171959     1.28295  0.787818 0.370979  0.723429 0.340441  
1 1 1 70 9  24 o 0.968721 0.376177  1.68518      1.04484  4.5455       1.60305  -0.427424    1.37768  1.4337   0.477326  0.675096 0.327148  
1 1 1 70 9  25 o 0.677802 0.319074  0.393649     1.12876  1.65341      1.57506  -0.936473    1.61845  0.812803 0.381256  0.6252   0.312288  
1 1 1 70 10 0  o 2.90315  0.162447  8.60421      0.936463 8.60421      0.936463 8.60421      0.936463 2.91834  0.113845  ?        ?         
1 1 1 70 10 1  o 3.11923  0.110291  9.8347       0.688045 9.28706      0.965132 10.4007      0.981151 3.01323  0.160149  3.19159  0.153709  
1 1 1 70 10 2  o 1.13256  0.279028  1.4232       0.628748 1.60302      0.855262 1.21174      0.927492 1.1866   0.341766  1.05862  0.36305   
1 1 1 70 10 3  o 2.5088   0.123355  6.38215      0.618947 6.62943      0.840208 6.08873      0.915244 2.54304  0.165198  2.42818  0.188463  
1 1 1 70 10 4  o 1.74923  0.173395  3.14707      0.606615 3.1398       0.814907 3.15612      0.908465 1.72702  0.235929  1.72068  0.263984  
1 1 1 70 10 5  o 1.79562  0.185252  3.33363      0.665281 3.58225      0.956676 3.10081      0.925785 1.83227  0.261063  1.70002  0.272286  
1 1 1 70 10 6  o 2.73258  0.126332  7.5902       0.690428 8.0782       1.11461  7.28638      0.879471 2.78547  0.200077  2.66224  0.165175  
1 1 1 70 10 7  o 1.6335   0.1866    2.76875      0.609623 3.2806       0.892222 2.32056      0.834903 1.75083  0.2548    1.43291  0.300903  
1 1 1 70 10 8  o 1.92007  0.16417   3.79954      0.630434 2.97528      0.866534 4.72644      0.918907 1.66166  0.260744  2.11792  0.216936  
1 1 1 70 10 9  o 0.681618 0.283004  0.21974      0.634335 -0.0278471   0.839336 0.549508     0.968671 0.703886 0.309417  0.868781 0.353741  
1 1 1 70 10 10 o 1.89022  0.175317  3.70793      0.662777 3.36913      0.868384 4.18067      1.02577  1.77144  0.245107  1.96422  0.261113  
1 1 1 70 10 11 o 1.80716  0.188429  3.4121       0.68104  3.85209      0.924156 2.88916      1.0075   1.89257  0.244154  1.57249  0.330794  
1 1 1 70 10 12 o 2.19821  0.156228  4.98922      0.686843 4.72524      0.915175 5.32968      1.03931  2.10833  0.217038  2.22898  0.233136  
1 1 1 70 10 13 o 1.81481  0.193995  3.47255      0.704128 3.22615      0.941778 3.78488      1.0603   1.70488  0.276201  1.83844  0.28837   
1 1 1 70 10 14 o 3.14705  0.134307  10.1842      0.845346 8.97277      1.11335  11.8334      1.299    2.91289  0.191108  3.34204  0.194343  
1 1 1 70 10 15 o 0.763297 0.31205   0.442251     0.756863 1.52934      1.13479  -0.428817    1.0158   1.09604  0.398975  0.680239 0.314866  
1 1 1 70 10 16 o 2.33932  0.173383  5.77899      0.811197 6.21868      1.17701  5.38118      1.11956  2.36142  0.249216  2.19089  0.255502  
1 1 1 70 10 17 o 1.40387  0.291351  2.35         0.790671 2.21341      1.18232  2.4605       1.06346  1.26069  0.409929  1.36144  0.377603  
1 1 1 70 10 18 o 0.757467 0.316667  0.454912     0.802729 0.617545     1.22724  0.333303     1.06123  0.868862 0.378068  0.790286 0.347656  
1 1 1 70 10 19 o 1.14432  0.366455  1.85551      0.947233 0.624498     1.52222  2.6334       1.21005  0.887426 0.401372  1.31102  0.413616  
1 1 1 70 10 20 o 1.49277  0.364303  3.12513      1.07957  1.51124      1.62251  4.40725      1.44615  1.0012   0.435166  1.69029  0.427314  
1 1 1 70 10 21 o 0.881774 0.364226  1.05483      1.04226  1.71546      1.58113  0.547184     1.38602  0.997773 0.431564  0.825903 0.376548  
1 1 1 70 10 22 o 0.485478 0.242242  -1.7183      0.961516 -0.414384    1.45482  -2.72964     1.28124  0.699915 0.338585  0.516209 0.260589  
1 1 1 70 10 23 o 0.566822 0.276528  -0.872386    1.02451  0.0510097    1.53196  -1.6195      1.37799  0.740864 0.355933  0.594085 0.295526  
1 1 1 70 10 24 o 0.515299 0.255751  -1.25153     1.00293  -0.434882    1.52922  -1.86794     1.32857  0.669286 0.329444  0.549798 0.276136  
1 1 1 70 11 0  o 1.19249  0.404578  1.93246      0.862284 1.93246      0.862284 1.93246      0.862284 1.29988  0.26522   ?        ?         
1 1 1 70 11 1  f 3.13819  0.112792  9.9745       0.707926 10.1628      1.02591  9.80337      0.978116 3.14634  0.163032  3.09257  0.158139  
1 1 1 70 11 2  o 3.72733  0.104854  14.0488      0.781649 14.4069      1.10214  13.6863      1.10872  3.75491  0.146761  3.65718  0.151581  
1 1 1 70 11 3  o 2.83854  0.121372  8.18042      0.689037 8.66718      0.912544 7.53482      1.05094  2.90728  0.156941  2.69254  0.195157  
1 1 1 70 11 4  o 2.74732  0.128296  7.67975      0.70494  7.5793       0.973535 7.79046      1.02211  2.70704  0.179816  2.74108  0.186443  
1 1 1 70 11 5  o 2.56563  0.126235  6.69748      0.647744 7.00407      0.948198 6.4292       0.886961 2.59945  0.182385  2.49261  0.177918  
1 1 1 70 11 6  o 0.801351 0.291047  0.623985     0.603582 0.744443     0.819423 0.481106     0.892431 0.887285 0.336057  0.834724 0.339649  
1 1 1 70 11 7  o 4.03815  0.0955672 16.4815      0.771829 17.4216      1.04024  15.3301      1.15124  4.13571  0.125763  3.86538  0.148917  
1 1 1 70 11 8  o 0.666433 0.280395  0.164597     0.635955 0.50841      0.847481 -0.278546    0.962144 0.826097 0.333001  0.703339 0.318554  
1 1 1 70 11 9  o 0.568313 0.257679  -0.249847    0.63124  -0.308551    0.812549 -0.16049     1.0025   0.639272 0.290612  0.735772 0.329553  
1 1 1 70 11 10 o 2.2961   0.147579  5.41934      0.677711 6.11509      0.895889 4.48859      1.03621  2.42009  0.185094  2.03545  0.254539  
1 1 1 70 11 11 o 1.37392  0.248025  2.09227      0.656595 1.57866      0.876598 2.74873      0.991028 1.14723  0.350089  1.52426  0.334213  
1 1 1 70 11 12 f 1.12298  0.296607  1.47343      0.676168 1.48465      0.887507 1.45792      1.04391  1.10836  0.354691  1.09841  0.384339  
1 1 1 70 11 13 o 1.36157  0.293164  2.16351      0.775483 2.7371       1.08935  1.57417      1.1042   1.47706  0.369351  1.12129  0.394995  
1 1 1 70 11 14 o 1.26446  0.312033  1.92941      0.78531  2.57236      1.12069  1.30911      1.10077  1.40255  0.387087  1.03874  0.390531  
1 1 1 70 11 15 o 0.807351 0.318885  0.620179     0.759385 1.9496       1.1211   -0.506896    1.03226  1.20333  0.399175  0.671033 0.313209  
1 1 1 70 11 16 o 2.19366  0.185102  5.13139      0.812104 5.14569      1.18961  5.11891      1.11136  2.11205  0.281624  2.12629  0.261338  
1 1 1 70 11 17 o 1.11817  0.325916  1.60183      0.773258 0.556526     1.14307  2.48378      1.04996  0.848705 0.367013  1.35022  0.375431  
1 1 1 70 11 18 o 1.04244  0.370272  1.5216       0.972113 2.10024      1.27207  0.709263     1.5072   1.16103  0.42244   0.901932 0.404026  
1 1 1 70 11 19 o 0.910545 0.367691  1.07827      1.03582  2.41619      1.56249  0.0292575    1.38354  1.16401  0.458156  0.78489  0.364899  
1 1 1 70 11 20 o 1.01078  0.382843  1.54059      1.0635   3.20481      1.60814  0.247009     1.4178   1.29612  0.474645  0.805775 0.372597  
1 1 1 70 11 21 o 0.871455 0.355612  1.14184      0.98111  1.66004      1.51262  0.765499     1.28904  0.947757 0.416004  0.816004 0.369196  
1 1 1 70 11 22 o 0.653698 0.304937  0.0341517    0.976633 0.315605     1.49173  -0.17699     1.29203  0.75515  0.359985  0.684618 0.328416  
1 1 1 70 11 23 f 0.734999 0.329996  0.57141      1.01052  0.149786     1.50564  0.917002     1.36314  0.735378 0.353192  0.806231 0.36981   
1 1 1 70 11 24 o 0.544491 0.268051  -0.760851    1.01292  -0.660657    1.49341  -0.846216    1.37846  0.626574 0.311129  0.600563 0.298309  
1 1 1 70 12 0  o 0.473527 0.320926  -0.267685    0.868941 -0.267685    0.868941 -0.267685    0.868941 0.388026 0.265344  ?        ?         
1 1 1 70 12 1  o 2.84287  0.119919  8.21148      0.68183  7.73913      1.01429  8.6009       0.920959 2.7297   0.185788  2.89198  0.159226  
1 1 1 70 12 2  f 2.22462  0.143078  5.06306      0.636587 5.63307      0.906118 4.50753      0.894534 2.32391  0.194955  2.06904  0.216171  
1 1 1 70 12 3  o 1.87185  0.166078  3.61407      0.621746 4.28043      0.856663 2.87237      0.903794 2.01751  0.212307  1.59888  0.293603  
1 1 1 70 12 4  o 3.91235  0.10443   15.5003      0.817133 17.2092      1.19196  13.985       1.12238  4.09833  0.14542   3.69038  0.152069  
1 1 1 70 12 5  o 2.38015  0.151463  5.81955      0.721006 6.5724       0.986198 4.95509      1.05677  2.50681  0.196704  2.15036  0.24572   
1 1 1 70 12 6  o 5.32915  0.0930832 28.6997      0.992108 30.3958      1.33521  26.6091      1.48242  5.46399  0.122183  5.0934   0.145523  
1 1 1 70 12 7  o 1.55374  0.207629  2.54288      0.645203 2.63048      0.799969 2.37983      1.09137  1.55972  0.256447  1.39601  0.380546  
1 1 1 70 12 8  o 2.09224  0.149927  4.50152      0.627369 4.35019      0.790983 4.75817      1.03012  2.03774  0.194084  2.10301  0.244916  
1 1 1 70 12 9  o 1.09999  0.28853   1.38989      0.642641 1.29265      0.834408 1.53166      1.00754  1.05327  0.344374  1.13075  0.378419  
1 1 1 70 12 10 o 1.52107  0.212872  2.45871      0.647588 3.0477       0.840481 1.59818      1.01591  1.67416  0.251015  1.14551  0.379988  
1 1 1 70 12 11 o 1.91067  0.177382  3.82177      0.677839 4.07254      0.908683 3.50718      1.01779  1.9408   0.2341    1.76734  0.287943  
1 1 1 70 12 12 o 0.544479 0.259829  -0.798296    0.782389 -0.178767    1.09633  -1.44128     1.11689  0.747375 0.339172  0.605212 0.293682  
1 1 1 70 12 13 o 0.576053 0.268679  -0.477323    0.757847 -1.86676     1.0702   0.920209     1.07332  0.549384 0.270676  0.940952 0.376632  
1 1 1 70 12 14 o 0.67843  0.295592  0.108817     0.752112 -0.0833925   1.09146  0.28261      1.03786  0.749178 0.339303  0.796373 0.347103  
1 1 1 70 12 15 o 1.0101   0.344231  1.26987      0.833714 1.47132      1.14901  1.04588      1.21158  1.06569  0.399325  0.9713   0.395571  
1 1 1 70 12 16 o 0.62905  0.287856  -0.236278    0.820473 -0.179981    1.11708  -0.302221    1.20901  0.728676 0.334461  0.736355 0.341862  
1 1 1 70 12 17 o 0.536533 0.260985  -1.10319     0.891412 -1.98886     1.23156  -0.1286      1.2919   0.575286 0.285092  0.762844 0.353863  
1 1 1 70 12 18 o 1.31071  0.387135  2.53855      1.08405  3.26035      1.56994  1.88077      1.49869  1.3477   0.471352  1.07103  0.438692  
1 1 1 70 12 19 o 0.645251 0.296347  -0.126162    0.878452 -0.531156    1.37591  0.152516     1.14135  0.718095 0.343128  0.750635 0.342089  
1 1 1 70 12 20 o 0.617645 0.294417  -0.424957    0.997412 0.627211     1.56714  -1.14135     1.29313  0.828325 0.386351  0.623833 0.30574   
1 1 1 70 12 21 o 0.569115 0.275463  -0.701527    0.968062 -0.814059    1.50399  -0.621925    1.26493  0.671752 0.329385  0.644769 0.312771  
1 1 1 70 12 22 o 0.79572  0.343762  0.855242     1.00096  1.23104      1.52745  0.572397     1.32514  0.863836 0.394237  0.77533  0.359167  
1 1 1 70 12 23 o 0.886459 0.366126  1.60349      1.053    2.47882      1.57413  0.894549     1.41663  0.929539 0.414734  0.75416  0.35573   
1 1 1 70 13 0  o 0.703996 0.394792  0.778071     0.826782 0.778071     0.826782 0.778071     0.826782 0.701194 0.348127  ?        ?         
1 1 1 70 13 1  o 1.13192  0.277519  1.45032      0.624275 0.648215     0.91684  2.14363      0.852396 0.879661 0.349457  1.36044  0.31856   
1 1 1 70 13 2  o 0.909441 0.29129   0.914892     0.598482 0.681431     0.836094 1.16021      0.85706  0.869252 0.336722  1.01695  0.34897   
1 1 1 70 13 3  o 1.15197  0.280656  1.50649      0.641563 2.31522      0.936229 0.790511     0.880909 1.40308  0.337296  0.908472 0.347159  
1 1 1 70 13 4  o 2.74756  0.129772  7.70569      0.71311  9.14703      1.02903  6.37396      0.98913  2.97011  0.173231  2.4644   0.200684  
1 1 1 70 13 5  o 2.41496  0.137623  5.96955      0.664706 5.39249      0.870692 6.77572      1.02912  2.27077  0.191718  2.53887  0.202672  
1 1 1 70 13 6  o 4.91117  0.115871  24.5289      1.13812  24.8381      1.56076  24.1779      1.66321  4.90567  0.159077  4.82707  0.17228   
1 1 1 70 13 7  o 1.96646  0.173442  4.0186       0.682134 4.34056      0.862783 3.4818       1.11404  2.02411  0.213127  1.72453  0.334952  
1 1 1 70 13 8  o 3.13136  0.116916  9.9867       0.73221  10.8678      0.923106 8.49178      1.2024   3.25245  0.141909  2.82857  0.212545  
1 1 1 70 13 9  o 1.93523  0.172135  3.9042       0.666241 4.269        0.808244 3.13085      1.1768   2.00878  0.201178  1.59138  0.37538   
1 1 1 70 13 10 o 1.46807  0.278461  2.46354      0.787974 0.830335     1.05623  4.5133       1.18329  0.932376 0.373446  1.99513  0.296544  
1 1 1 70 13 11 o 1.3787   0.304885  2.24796      0.818289 3.18357      1.12436  1.19432      1.19318  1.60121  0.359882  1.025    0.401177  
1 1 1 70 13 12 o 1.35531  0.325966  2.24907      0.87407  2.9263       1.14441  1.30088      1.35413  1.50224  0.380341  1.0489   0.421709  
1 1 1 70 13 13 o 1.32085  0.318042  2.13695      0.831355 2.38637      1.12139  1.83259      1.23878  1.33406  0.393656  1.16151  0.41744   
1 1 1 70 13 14 o 1.1938   0.336347  1.80148      0.83729  2.11067      1.1445   1.44546      1.22813  1.23948  0.40332   1.05964  0.40859   
1 1 1 70 13 15 o 0.886849 0.345633  0.888845     0.88371  2.52767      1.28683  -0.573843    1.21571  1.30853  0.427663  0.706004 0.331995  
1 1 1 70 13 16 f 0.984773 0.359817  1.2914       0.923719 2.73754      1.4162   0.220626     1.21862  1.30065  0.448367  0.795967 0.359611  
1 1 1 70 13 17 o 0.822454 0.342032  0.717721     0.928886 1.40811      1.54974  0.330625     1.16044  0.991853 0.428107  0.788021 0.353719  
1 1 1 70 13 18 o 0.794402 0.34125   0.582428     0.975978 -0.096833    1.55103  1.02768      1.25575  0.793909 0.373817  0.90792  0.388447  
1 1 1 70 13 19 f 1.2374   0.367055  2.32406      0.97282  0.839084     1.48437  3.44211      1.28799  0.863286 0.39254   1.43744  0.421162  
1 1 1 70 13 20 o 1.39353  0.368361  3.04684      1.04236  2.76856      1.60612  3.24934      1.3701   1.09642  0.452461  1.27785  0.44096   
1 1 1 70 13 21 o 0.63255  0.297758  -0.158267    0.982761 -0.419325    1.46488  0.0553999    1.32526  0.69242  0.336105  0.715847 0.340417  
1 1 1 70 13 22 o 0.728899 0.327953  0.609217     1.00314  -0.0125874   1.5241   1.08447      1.33245  0.708889 0.343702  0.8099   0.369238  
1 1 1 70 14 0  f 1.44411  0.351072  2.54102      0.877839 2.54102      0.877839 2.54102      0.877839 1.53157  0.214475  ?        ?         
1 1 1 70 14 1  o 2.18216  0.146383  4.88972      0.63886  4.7404       0.880766 5.05552      0.928056 2.12054  0.207675  2.18745  0.212132  
1 1 1 70 14 2  o 0.919651 0.294434  0.942232     0.61152  0.890701     0.839842 1.00038      0.892169 0.92816  0.342663  0.968292 0.353636  
1 1 1 70 14 3  o 0.868406 0.304616  0.797671     0.656098 0.651511     0.94871  0.931653     0.908331 0.883547 0.353912  0.949848 0.355219  
1 1 1 70 14 4  o 3.2828   0.112987  10.9547      0.741829 12.1828      0.973141 9.25114      1.14618  3.44606  0.141196  2.97062  0.192919  
1 1 1 70 14 5  o 2.15283  0.149175  4.771        0.642295 5.00256      0.835871 4.43714      1.00366  2.18419  0.191346  2.02555  0.247751  
1 1 1 70 14 6  o 3.21169  0.115076  10.5008      0.739176 11.3181      0.99697  9.50317      1.10154  3.3134   0.150445  3.01476  0.182691  
1 1 1 70 14 7  o 0.873236 0.300419  0.832966     0.635514 1.51231      0.840353 -0.0746009   0.971309 1.12231  0.342833  0.732504 0.326332  
1 1 1 70 14 8  o 2.0806   0.189796  4.56261      0.789779 3.24678      1.18755  5.60612      1.05755  1.61727  0.374266  2.27795  0.232128  
1 1 1 70 14 9  o 2.5933   0.156029  6.98259      0.80926  5.8639       1.17288  7.99908      1.11802  2.30675  0.254227  2.73968  0.204043  
1 1 1 70 14 10 o 2.39881  0.182183  6.07386      0.874046 5.82067      1.25756  6.31046      1.21568  2.27026  0.276962  2.38486  0.254875  
1 1 1 70 14 11 f 0.885821 0.342676  0.831564     0.865311 0.642155     1.20649  1.0322       1.24174  0.899515 0.382668  0.980483 0.400079  
1 1 1 70 14 12 f 0.797416 0.330989  0.491343     0.867307 -0.249036    1.17654  1.37251      1.28354  0.748515 0.343433  1.05159  0.414824  
1 1 1 70 14 13 o 1.58223  0.259057  2.82906      0.819772 2.05791      1.22594  3.45275      1.10252  1.2128   0.417252  1.66129  0.34349   
1 1 1 70 14 14 o 0.65261  0.294552  -0.0883413   0.815566 -1.00962     1.25365  0.587655     1.07388  0.671053 0.322294  0.845678 0.360433  
1 1 1 70 14 15 f 0.804227 0.32894   0.640639     0.841411 -1.0489      1.309    1.83023      1.09838  0.671748 0.324256  1.12289  0.394112  
1 1 1 70 14 16 o 0.627899 0.294975  -0.446256    0.955087 -0.197661    1.44416  -0.63951     1.27331  0.773711 0.363307  0.6928   0.330814  
1 1 1 70 14 17 o 0.833495 0.350597  0.754342     0.993854 -1.20916     1.60522  1.97488      1.2656   0.710299 0.346455  1.10578  0.417986  
1 1 1 70 14 18 o 1.63935  0.318662  3.56919      1.00751  3.79465      1.56784  3.41061      1.31496  1.41917  0.472055  1.43364  0.42705   
1 1 1 70 14 19 o 0.50173  0.248182  -1.34848     0.922632 -1.92143     1.43913  -0.948665    1.2022   0.596822 0.297597  0.610785 0.298259  
1 1 1 70 14 20 o 0.847787 0.353295  1.13443      0.994241 1.89981      1.5481   0.597116     1.2971   0.94307  0.41687   0.770716 0.356385  
1 1 1 70 14 21 f 0.634588 0.298642  -0.101724    0.987393 0.923298     1.51234  -0.863287    1.30357  0.811303 0.378846  0.623985 0.306185  
1 1 1 70 14 22 o 0.773885 0.337857  1.06689      0.986669 0.135622     1.49751  1.7813       1.31162  0.679721 0.332143  0.855055 0.380119  
1 1 1 70 15 0  o 1.44064  0.376972  2.60257      0.936482 2.60257      0.936482 2.60257      0.936482 1.54147  0.230185  ?        ?         
1 1 1 70 15 1  o 1.60566  0.197284  2.71286      0.633541 2.33851      0.880184 3.11532      0.912621 1.4131   0.318979  1.68359  0.271034  
1 1 1 70 15 2  o 1.11312  0.285832  1.42508      0.639562 1.3044       0.905654 1.54514      0.903306 1.05608  0.358775  1.13397  0.357293  
1 1 1 70 15 3  o 1.32973  0.255486  1.9755       0.655211 1.80924      0.920616 2.14617      0.932718 1.22066  0.355562  1.33382  0.346556  
1 1 1 70 15 4  o 2.15453  0.150014  4.78935      0.646419 5.17131      0.861305 4.29673      0.978149 2.21578  0.194358  1.98979  0.245792  
1 1 1 70 15 5  o 2.22465  0.147286  5.10535      0.655321 5.76148      0.877579 4.27832      0.98527  2.34138  0.187407  1.98144  0.248625  
1 1 1 70 15 6  o 0.727378 0.290451  0.409511     0.636352 0.885325     0.818037 -0.319663    1.01268  0.910942 0.337809  0.703964 0.321198  
1 1 1 70 15 7  o 1.30148  0.296096  1.98432      0.753587 1.82513      1.16461  2.09898      0.988403 1.19032  0.406848  1.29319  0.365792  
1 1 1 70 15 8  o 1.92289  0.199624  3.93901      0.767713 3.78271      1.12904  4.07342      1.04702  1.77565  0.330261  1.9027   0.27514   
1 1 1 70 15 9  o 0.911687 0.326997  0.946879     0.759806 1.04191      1.13519  0.869758     1.02266  0.975506 0.388434  0.92155  0.368137  
1 1 1 70 15 10 o 1.57967  0.252478  2.78755      0.797663 3.44624      1.20188  2.26901      1.06637  1.63585  0.375148  1.31082  0.382949  
1 1 1 70 15 11 o 0.878339 0.333247  0.845584     0.806944 -0.803702    1.23779  2.06464      1.06417  0.697816 0.330491  1.24272  0.38706   
1 1 1 70 15 12 o 0.717113 0.305774  0.266429     0.773475 0.0894292    1.09823  0.44064      1.08954  0.77288  0.345583  0.831465 0.358921  
1 1 1 70 15 13 o 1.01233  0.334828  1.31125      0.78879  1.29674      1.16436  1.32356      1.07234  1.00311  0.395288  1.00766  0.383619  
1 1 1 70 15 14 o 0.601057 0.279674  -0.354666    0.814966 1.15466      1.23777  -1.50968     1.08279  0.958271 0.396438  0.566595 0.278354  
1 1 1 70 15 15 f 0.538971 0.260993  -0.96868     0.87283  -1.05264     1.30471  -0.900664    1.1743   0.661375 0.320063  0.641725 0.309112  
1 1 1 70 15 16 o 1.06792  0.365759  1.65229      0.941256 1.92045      1.39962  1.43088      1.27181  1.07991  0.430901  0.987558 0.40425   
1 1 1 70 15 17 o 0.851494 0.34886   0.908395     0.947999 0.381235     1.62414  1.18081      1.16752  0.839296 0.392183  0.919672 0.383022  
1 1 1 70 15 18 o 0.850904 0.353802  1.05221      0.993647 0.959773     1.66314  1.10352      1.23911  0.858559 0.399505  0.865072 0.378135  
1 1 1 70 15 19 o 0.748237 0.327422  0.6485       0.931129 1.81558      1.45015  -0.170195    1.21458  0.941559 0.41034   0.674737 0.322404  
1 1 1 70 15 20 o 1.1288   0.384796  2.26056      1.04179  2.57557      1.59193  2.0246       1.37779  1.04123  0.441119  0.985209 0.41353   
1 1 1 70 15 21 o 1.05578  0.380563  2.27645      1.03025  3.25016      1.57451  1.54743      1.36239  1.03801  0.439175  0.828357 0.3765    
1 1 1 70 16 0  o 1.97166  0.261725  4.27193      0.991492 4.27193      0.991492 4.27193      0.991492 2.02196  0.176461  ?        ?         
1 1 1 70 16 1  o 2.04284  0.162591  4.33789      0.664293 4.4005       0.936466 4.27448      0.942467 2.01866  0.231953  1.98614  0.237261  
1 1 1 70 16 2  o 2.05352  0.167594  4.39525      0.688315 6.14363      1.0174   2.91958      0.934696 2.39909  0.21204   1.58332  0.306095  
1 1 1 70 16 3  o 1.49018  0.208305  2.36774      0.620827 2.19115      0.814032 2.61324      0.959837 1.36517  0.305788  1.47466  0.333257  
1 1 1 70 16 4  o 2.28925  0.14481   5.41175      0.663013 6.48321      0.882063 4.02011      1.00525  2.48591  0.177413  1.9042   0.263956  
1 1 1 70 16 5  o 1.4114   0.262114  2.25949      0.712193 1.68438      1.03913  2.76895      0.97803  1.15286  0.384305  1.51419  0.332022  
1 1 1 70 16 6  o 2.20309  0.178976  5.11136      0.788599 2.86047      1.13003  7.24823      1.10103  1.49622  0.377422  2.59647  0.212025  
1 1 1 70 16 7  o 3.03401  0.140647  9.52259      0.85345  9.5292       1.30033  9.5176       1.13119  2.96459  0.219311  2.99287  0.188981  
1 1 1 70 16 8  o 0.716126 0.306493  0.230862     0.782236 0.535819     1.19824  0.004374     1.03264  0.878023 0.377676  0.747545 0.334657  
1 1 1 70 16 9  o 1.15033  0.323585  1.6401       0.775561 1.91805      1.15652  1.41296      1.04549  1.18967  0.405431  1.05554  0.383081  
1 1 1 70 16 10 o 2.1843   0.191457  5.1068       0.836399 4.66132      1.23366  5.48575      1.13784  1.9832   0.311028  2.20596  0.2579    
1 1 1 70 16 11 o 0.636071 0.287538  -0.132038    0.78022  -0.94583     1.18285  0.494724     1.03807  0.661693 0.316648  0.827903 0.353661  
1 1 1 70 16 12 o 1.41869  0.298184  2.46746      0.819255 3.60677      1.19767  1.46556      1.12313  1.64073  0.373281  1.03842  0.393395  
1 1 1 70 16 13 o 2.28513  0.191729  5.69534      0.876255 5.17803      1.3052   6.11982      1.18232  2.03242  0.321094  2.29357  0.257747  
1 1 1 70 16 14 o 0.55581  0.267757  -0.842235    0.881704 -0.348773    1.30716  -1.25417     1.19431  0.730094 0.343595  0.614721 0.299656  
1 1 1 70 16 15 o 1.12442  0.36186   1.81874      0.922796 2.17587      1.34045  1.49702      1.27228  1.14253  0.430671  1.00044  0.406056  
1 1 1 70 16 16 o 0.99911  0.359499  1.45653      0.918998 0.66304      1.33809  2.16498      1.26436  0.845522 0.379673  1.13316  0.42002   
1 1 1 70 16 17 o 0.928664 0.357517  1.35791      0.939509 1.7889       1.44915  1.0454       1.23397  0.973977 0.417018  0.857999 0.376177  
1 1 1 70 16 18 o 0.913712 0.361201  1.39148      0.975065 1.26023      1.53618  1.48004      1.26184  0.866529 0.395434  0.906475 0.388659  
1 1 1 70 16 19 f 0.784049 0.337076  0.800722     0.9536   1.114        1.47318  0.57479      1.25107  0.851242 0.388129  0.771105 0.353943  
1 1 1 70 16 20 o 1.08979  0.390464  2.38057      1.08311  3.21618      1.73682  1.84879      1.38553  1.02787  0.448501  0.897081 0.395736  
1 1 1 70 17 0  o 0.685853 0.399208  0.742885     0.886439 0.742885     0.886439 0.742885     0.886439 0.673827 0.354536  ?        ?         
1 1 1 70 17 1  o 3.59148  0.111146  13.1597      0.798357 14.626       1.11075  11.5927      1.14828  3.75717  0.147818  3.32386  0.172732  
1 1 1 70 17 2  o 2.12192  0.166158  4.70841      0.705148 6.07139      1.03718  3.53692      0.961565 2.37114  0.218709  1.77509  0.27085   
1 1 1 70 17 3  o 2.00878  0.183145  4.26363      0.735794 3.27471      1.12943  4.99284      0.969847 1.62094  0.357964  2.14316  0.226266  
1 1 1 70 17 4  o 2.11427  0.178856  4.71813      0.7563   3.5329       1.13347  5.66927      1.01539  1.69313  0.346676  2.28471  0.222213  
1 1 1 70 17 5  o 1.88804  0.19152   3.79967      0.723195 3.4505       1.07571  4.08766      0.976921 1.6824   0.3315    1.91249  0.255405  
1 1 1 70 17 6  o 1.01375  0.324227  1.25495      0.74168  1.78389      1.08389  0.789201     1.01708  1.16062  0.392495  0.896977 0.363467  
1 1 1 70 17 7  o 2.04998  0.199505  4.51505      0.817962 3.55869      1.23834  5.25527      1.08946  1.6541   0.381789  2.16879  0.251167  
1 1 1 70 17 8  o 1.86754  0.21296   3.78955      0.795424 1.9226       1.1329   5.60471      1.11707  1.18963  0.40127   2.23874  0.249487  
1 1 1 70 17 9  f 2.02481  0.196679  4.40938      0.796473 3.92257      1.13126  4.88787      1.12157  1.78713  0.328814  2.06705  0.271297  
1 1 1 70 17 10 f 1.2143   0.320648  1.85851      0.790341 1.01332      1.12896  2.67083      1.10679  0.942211 0.382475  1.39991  0.383943  
1 1 1 70 17 11 o 2.46198  0.174131  6.48788      0.857413 6.67958      1.26982  6.32725      1.16242  2.39689  0.264888  2.35461  0.246839  
1 1 1 70 17 12 o 0.8065   0.329407  0.667962     0.842616 0.725281     1.19357  0.611012     1.18971  0.867597 0.375106  0.847559 0.3705    
1 1 1 70 17 13 o 1.98072  0.237417  4.52213      0.940512 3.76924      1.32064  5.29694      1.33973  1.58235  0.412954  2.0225   0.331207  
1 1 1 70 17 14 o 1.69566  0.268296  3.45201      0.909877 2.08962      1.28971  4.80201      1.28383  1.12933  0.423089  1.88261  0.353983  
1 1 1 70 17 15 o 0.979661 0.355612  1.38621      0.900966 2.67742      1.28435  0.135201     1.2642   1.25686  0.427252  0.763934 0.352709  
1 1 1 70 17 16 f 0.745023 0.327829  0.532694     0.944131 0.403033     1.47505  0.62268      1.22883  0.789742 0.370172  0.793117 0.359569  
1 1 1 70 17 17 o 1.56985  0.319143  3.47473      0.967179 2.17642      1.45807  4.49483      1.29245  1.00868  0.424488  1.6571   0.395005  
1 1 1 70 17 18 o 0.802869 0.345515  0.891953     1.00378  1.68115      1.60418  0.384121     1.28683  0.917886 0.413756  0.748956 0.349627  
1 1 1 70 17 19 o 1.22736  0.380651  2.68627      1.03069  2.59562      1.59955  2.75063      1.3478   0.996142 0.432507  1.09289  0.42666   
1 1 1 70 18 0  o 0.759486 0.415741  0.995606     0.889408 0.995606     0.889408 0.995606     0.889408 0.786571 0.364318  ?        ?         
1 1 1 70 18 1  o 2.73818  0.147608  7.79603      0.808358 8.81551      1.22461  7.0088       1.07611  2.85142  0.214736  2.54557  0.21137   
1 1 1 70 18 2  f 2.37289  0.160825  5.89778      0.76324  5.346        1.16776  6.30928      1.00845  2.17281  0.268722  2.41729  0.20859   
1 1 1 70 18 3  o 0.688085 0.293024  0.215561     0.708726 0.934484     1.09102  -0.309291    0.932197 0.939974 0.378274  0.666005 0.305627  
1 1 1 70 18 4  o 2.21718  0.173858  5.19333      0.770949 4.85783      1.17903  5.44394      1.01897  2.05238  0.287234  2.2275   0.228726  
1 1 1 70 18 5  o 1.18566  0.312551  1.724        0.751737 1.47635      1.11353  1.93138      1.01898  1.07085  0.39469   1.20869  0.379212  
1 1 1 70 18 6  o 0.94409  0.332029  1.06906      0.779932 1.89352      1.16253  0.394234     1.05175  1.17713  0.406187  0.816946 0.352647  
1 1 1 70 18 7  o 1.50487  0.275762  2.64888      0.799035 4.61905      1.20767  1.11491      1.06563  1.9762   0.305552  0.971594 0.379363  
1 1 1 70 18 8  o 1.07069  0.326306  1.4509       0.761869 1.06845      1.10716  1.79488      1.05     0.955551 0.382504  1.14629  0.386311  
1 1 1 70 18 9  o 1.48438  0.272989  2.61774      0.780111 2.31475      1.14813  2.87758      1.06324  1.26673  0.403226  1.46748  0.363652  
1 1 1 70 18 10 o 1.36356  0.31087   2.3503       0.829253 1.64391      1.16407  3.07814      1.18161  1.06767  0.401564  1.46996  0.393858  
1 1 1 70 18 11 f 1.05681  0.344644  1.5256       0.835718 1.40859      1.218    1.6297       1.1488   0.997833 0.400459  1.05156  0.398015  
1 1 1 70 18 12 o 0.925977 0.355665  1.14842      0.928487 1.66094      1.31993  0.646401     1.30633  1.03683  0.41656   0.855866 0.380038  
1 1 1 70 18 13 o 0.67628  0.305221  0.0618507    0.875622 -0.69541     1.23788  0.820176     1.23875  0.673106 0.322547  0.870641 0.379345  
1 1 1 70 18 14 o 0.745255 0.323665  0.455226     0.896243 1.03193      1.25602  -0.143006    1.27925  0.891977 0.385209  0.729736 0.342527  
1 1 1 70 18 15 o 0.921131 0.349283  1.30539      0.88605  0.995694     1.32823  1.55372      1.18937  0.852851 0.38073   0.952966 0.390648  
1 1 1 70 18 16 o 0.849249 0.348341  1.10282      0.946269 0.425097     1.43924  1.61886      1.25588  0.769567 0.361695  0.935386 0.393815  
1 1 1 70 18 17 o 1.13476  0.369009  2.15097      0.958058 1.32978      1.52461  2.68685      1.2316   0.874863 0.39781   1.17593  0.416864  
1 1 1 70 18 18 f 0.504271 0.250583  -1.39595     0.977704 -2.16012     1.54655  -0.88723     1.26185  0.585125 0.294428  0.60939  0.299736  
1 1 1 70 18 19 o 0.809032 0.347566  1.26288      1.0126   0.794615     1.57998  1.58929      1.31913  0.734362 0.354834  0.826354 0.3737    
1 1 1 70 19 0  o 0.998448 0.473228  1.7382       1.06503  1.7382       1.06503  1.7382       1.06503  1.11288  0.378349  ?        ?         
1 1 1 70 19 1  o 2.06289  0.191292  4.55356      0.789227 5.36814      1.21094  3.95204      1.0406   2.16076  0.280212  1.85356  0.280702  
1 1 1 70 19 2  o 0.727095 0.303463  0.349755     0.735284 -0.876869    1.15709  1.18056      0.952275 0.664378 0.316792  0.985109 0.364641  
1 1 1 70 19 3  o 1.52111  0.250477  2.59459      0.762006 2.61783      1.2281   2.58004      0.971668 1.3703   0.413624  1.42855  0.343747  
1 1 1 70 19 4  o 2.12654  0.188303  4.83526      0.800868 5.81031      1.30348  4.24398      1.01506  2.23137  0.292081  1.93387  0.262442  
1 1 1 70 19 5  o 0.533449 0.255345  -0.780427    0.770468 -0.00239887  1.16642  -1.38264     1.02621  0.772317 0.350221  0.56756  0.276864  
1 1 1 70 19 6  o 1.28344  0.311417  2.0485       0.792374 1.60518      1.16223  2.43353      1.08312  1.08184  0.402358  1.33117  0.384999  
1 1 1 70 19 7  o 1.81974  0.245036  3.76175      0.891803 3.22135      1.32863  4.20486      1.20309  1.47565  0.426282  1.81006  0.344738  
1 1 1 70 19 8  o 1.0102   0.342369  1.34811      0.824721 -0.386827    1.25634  2.66186      1.09326  0.726855 0.340862  1.37612  0.383245  
1 1 1 70 19 9  o 0.827687 0.325194  0.780335     0.785866 0.932814     1.13337  0.639139     1.09063  0.899136 0.376108  0.836989 0.360175  
1 1 1 70 19 10 o 0.664778 0.299173  0.0376923    0.835285 -1.72575     1.19065  1.74665      1.17211  0.576644 0.28444   1.07084  0.402911  
1 1 1 70 19 11 f 0.744272 0.321619  0.409101     0.87659  2.30336      1.32924  -1.04872     1.16609  1.1766   0.431463  0.6223   0.301401  
1 1 1 70 19 12 o 0.855709 0.343789  0.905093     0.899032 0.16832      1.24998  1.69467      1.294    0.772607 0.354279  1.03376  0.413642  
1 1 1 70 19 13 o 0.77118  0.328389  0.611574     0.89002  0.371631     1.25427  0.85492      1.26314  0.783785 0.357577  0.855562 0.377581  
1 1 1 70 19 14 o 0.661534 0.301743  0.113242     0.892182 -1.02455     1.33157  1.04015      1.20185  0.635668 0.311218  0.85363  0.372776  
1 1 1 70 19 15 o 1.68013  0.304376  3.86968      0.985181 4.01131      1.59826  3.78289      1.25114  1.33069  0.474561  1.47611  0.409623  
1 1 1 70 19 16 o 0.827191 0.343349  1.01375      0.933293 0.904554     1.46974  1.08754      1.20813  0.822608 0.379991  0.841759 0.370616  
1 1 1 70 19 17 o 0.882425 0.354768  1.32956      0.958313 0.423353     1.47132  1.99727      1.26294  0.751875 0.358089  0.978201 0.402032  
1 1 1 70 19 18 o 0.594433 0.285596  -0.181351    0.986573 0.235198     1.54366  -0.468986    1.28274  0.690101 0.337217  0.61289  0.301699  
1 1 1 70 20 0  o 0.953762 0.48358   1.68432      1.13868  1.68432      1.13868  1.68432      1.13868  1.05365  0.405419  ?        ?         
1 1 1 70 20 1  o 1.3074   0.316281  2.13368      0.819208 2.36451      1.14055  1.88771      1.1774   1.29654  0.400085  1.1548   0.407767  
1 1 1 70 20 2  o 1.96012  0.212495  4.21465      0.83303  4.16852      1.23588  4.25306      1.1277   1.79839  0.356277  1.88933  0.29844   
1 1 1 70 20 3  o 2.22335  0.185332  5.31711      0.824114 5.27673      1.22684  5.35032      1.11248  2.109    0.290858  2.16074  0.257431  
1 1 1 70 20 4  o 1.80224  0.22632   3.62563      0.815768 5.13622      1.28587  2.60813      1.05533  2.04903  0.313775  1.38279  0.372995  
1 1 1 70 20 5  o 1.00146  0.341204  1.31217      0.819117 2.2107       1.23881  0.614162     1.09187  1.21075  0.419156  0.842904 0.361474  
1 1 1 70 20 6  o 2.05876  0.210992  4.69957      0.868766 4.90411      1.28642  4.52806      1.17798  1.97382  0.325869  1.91904  0.306917  
1 1 1 70 20 7  o 0.856145 0.338188  0.861286     0.854181 1.218        1.29706  0.588107     1.13507  0.964124 0.402762  0.833819 0.363214  
1 1 1 70 20 8  o 2.97691  0.164602  9.50277      0.980013 9.34951      1.44823  9.63224      1.33107  2.82127  0.256663  2.90828  0.22884   
1 1 1 70 20 9  o 1.54374  0.297664  3.0014       0.886236 4.23168      1.32255  1.99876      1.19395  1.71035  0.394416  1.12712  0.409345  
1 1 1 70 20 10 o 0.769584 0.330878  0.503242     0.918952 0.278182     1.42539  0.663323     1.20214  0.817196 0.37623   0.841758 0.37016   
1 1 1 70 20 11 o 1.24491  0.349705  2.19093      0.906437 1.63738      1.29573  2.72145      1.26849  1.01629  0.410891  1.28167  0.424605  
1 1 1 70 20 12 f 1.45558  0.336933  2.99055      0.962261 1.4327       1.31369  4.79403      1.41347  0.939759 0.399534  1.73142  0.413315  
1 1 1 70 20 13 o 2.27193  0.215118  6.05162      0.977467 4.71875      1.33733  7.58038      1.43224  1.71694  0.397061  2.38438  0.300337  
1 1 1 70 20 14 o 0.722764 0.318638  0.525743     0.896333 0.302219     1.30234  0.726918     1.23551  0.738953 0.346628  0.786576 0.357784  
1 1 1 70 20 15 o 0.941354 0.358026  1.47082      0.933285 1.63027      1.4178   1.3489       1.23977  0.922068 0.403753  0.885751 0.382617  
1 1 1 70 20 16 o 0.594738 0.282991  -0.273026    0.917035 -1.51271     1.38084  0.705148     1.22659  0.591367 0.294403  0.766565 0.351273  
1 1 1 70 20 17 o 0.624603 0.293801  0.125308     0.953405 0.24818      1.46052  0.0340713    1.25855  0.68628  0.333901  0.650434 0.314696  
1 1 1 70 21 0  f 0.844908 0.488317  1.42896      1.31124  1.42896      1.31124  1.42896      1.31124  0.889186 0.438911  ?        ?         
1 1 1 70 21 1  o 0.66103  0.304187  -0.209335    0.930546 -0.551885    1.29889  0.151869     1.33379  0.717261 0.339157  0.807931 0.368631  
1 1 1 70 21 2  o 1.44089  0.330459  2.69535      0.932534 2.04601      1.30634  3.37009      1.33163  1.14784  0.426641  1.49242  0.425361  
1 1 1 70 21 3  o 1.50027  0.309821  2.84034      0.897937 3.11329      1.26795  2.56573      1.27181  1.43853  0.416717  1.28265  0.42516   
1 1 1 70 21 4  o 0.704836 0.314585  0.127394     0.906365 0.886605     1.29484  -0.601964    1.26913  0.904055 0.39078   0.699744 0.332936  
1 1 1 70 21 5  o 0.913124 0.353269  1.07892      0.919675 -0.127688    1.25881  2.46031      1.34689  0.747962 0.347859  1.22445  0.43575   
1 1 1 70 21 6  o 0.954082 0.347013  1.23393      0.858294 0.175713     1.24473  2.19316      1.18509  0.780615 0.356153  1.18248  0.409909  
1 1 1 70 21 7  o 0.576368 0.275432  -0.670278    0.887085 -1.0638      1.32884  -0.353938    1.19143  0.663389 0.321419  0.700714 0.329262  
1 1 1 70 21 8  o 0.673389 0.304714  0.0361528    0.878395 -1.53455     1.33096  1.24821      1.16918  0.625479 0.307709  0.948821 0.387861  
1 1 1 70 21 9  o 1.42987  0.329618  2.74206      0.923954 1.76531      1.40112  3.49363      1.22906  1.03838  0.424553  1.52472  0.398592  
1 1 1 70 21 10 o 1.54251  0.310124  3.13848      0.923093 3.81893      1.35641  2.55147      1.25984  1.5217   0.427895  1.21401  0.422466  
1 1 1 70 21 11 o 0.708591 0.314571  0.374014     0.894357 -1.53331     1.32064  1.98979      1.21552  0.599055 0.29647   1.04668  0.405886  
1 1 1 70 21 12 o 1.34583  0.358864  2.79729      0.983921 1.98123      1.3501   3.72165      1.4369   1.00167  0.414193  1.36454  0.451913  
1 1 1 70 21 13 o 2.83505  0.198516  9.32792      1.1256   9.94071      1.58757  8.7085       1.59615  2.71643  0.292217  2.47367  0.322627  
1 1 1 70 21 14 o 0.537166 0.261774  -0.85803     0.908966 -0.688768    1.40097  -0.981082    1.19452  0.663749 0.323734  0.600903 0.294331  
1 1 1 70 21 15 o 0.713124 0.317274  0.542597     0.915394 -0.171028    1.40201  1.07286      1.20855  0.686461 0.33213   0.813691 0.363213  
1 1 1 70 21 16 o 1.86409  0.280448  4.9185       1.04556  4.17156      1.55318  5.53748      1.4139   1.19681  0.459916  1.65779  0.424576  
1 1 1 70 22 0  o 1.26899  0.531695  2.88751      1.34644  2.88751      1.34644  2.88751      1.34644  1.48721  0.370334  ?        ?         
1 1 1 70 22 1  o 1.00293  0.36506   1.42175      0.950045 1.12118      1.32896  1.73592      1.35867  0.936215 0.40005   1.05199  0.422637  
1 1 1 70 22 2  o 1.66635  0.316556  3.57121      1.01686  3.12234      1.34028  4.18005      1.56094  1.38968  0.43469   1.58074  0.463805  
1 1 1 70 22 3  o 1.64555  0.306929  3.44185      0.97255  2.97421      1.27276  4.09804      1.50767  1.37165  0.422511  1.58139  0.453211  
1 1 1 70 22 4  o 0.694767 0.314724  0.0591575    0.939529 -0.751934    1.23272  1.1833       1.45125  0.668789 0.320815  0.94897  0.411997  
1 1 1 70 22 5  o 1.12078  0.373033  1.8481       0.979066 3.67593      1.3194   -0.391729    1.46055  1.54777  0.41686   0.751806 0.357448  
1 1 1 70 22 6  o 1.57945  0.312306  3.22192      0.951443 3.45233      1.30043  2.95652      1.3957   1.48537  0.41939   1.31288  0.445387  
1 1 1 70 22 7  o 2.11703  0.245356  5.26397      1.03886  5.84152      1.43657  4.63084      1.50409  2.08667  0.344225  1.70017  0.439308  
1 1 1 70 22 8  o 1.0842   0.365288  1.78287      0.938833 2.46472      1.5423   1.38149      1.18333  1.13137  0.45205   0.9525   0.389922  
1 1 1 70 22 9  o 1.31824  0.352863  2.59897      0.949008 2.82472      1.43357  2.42286      1.26617  1.18686  0.445781  1.1427   0.420901  
1 1 1 70 22 10 f 0.826962 0.341716  0.960567     0.917961 1.33117      1.33857  0.631544     1.26126  0.897152 0.392581  0.791022 0.360257  
1 1 1 70 22 11 o 1.03244  0.362364  1.78043      0.928549 2.56964      1.34168  1.05493      1.2864   1.11228  0.427449  0.839519 0.374735  
1 1 1 70 22 12 o 0.687476 0.312454  0.296377     0.93809  -0.12066     1.35271  0.682763     1.30206  0.701102 0.336255  0.783443 0.360225  
1 1 1 70 22 13 o 1.22778  0.358068  2.41021      0.933087 1.63935      1.37988  3.05966      1.26656  0.920035 0.400621  1.25239  0.424281  
1 1 1 70 22 14 o 0.888027 0.354939  1.41194      0.951284 1.31783      1.48082  1.47807      1.24129  0.830401 0.382763  0.86526  0.37834   
1 1 1 70 22 15 o 0.628144 0.295562  0.137879     0.966383 -0.105465    1.47148  0.322438     1.28148  0.660868 0.324611  0.679758 0.326324  
1 1 1 70 23 0  o 0.722181 0.456421  0.928908     1.37416  0.928908     1.37416  0.928908     1.37416  0.706826 0.415046  ?        ?         
1 1 1 70 23 1  o 0.920665 0.364002  1.1484       0.990382 1.23076      1.32856  1.04538      1.48582  0.945658 0.401907  0.923445 0.408271  
1 1 1 70 23 2  o 1.11045  0.380812  1.86093      1.02046  -0.156847    1.41734  4.03262      1.47041  0.763629 0.358912  1.56405  0.447359  
1 1 1 70 23 3  o 1.97237  0.2541    4.61199      1.00236  3.98236      1.35989  5.361        1.48322  1.60213  0.419477  1.91039  0.400981  
1 1 1 70 23 4  o 0.613286 0.290796  -0.523543    0.960817 -0.267467    1.29359  -0.838661    1.43499  0.725387 0.341504  0.699153 0.33788   
1 1 1 70 23 5  o 1.26309  0.372743  2.38979      1.00537  2.64363      1.37585  2.09894      1.47272  1.2149   0.4396    1.07874  0.437266  
1 1 1 70 23 6  o 1.21579  0.378472  2.32281      1.01765  1.50087      1.38483  3.28774      1.50047  0.956138 0.408463  1.2988   0.460152  
1 1 1 70 23 7  o 0.613545 0.293291  -0.471208    1.00787  -0.971382    1.39343  0.0775791    1.45957  0.654819 0.320072  0.757024 0.358696  
1 1 1 70 23 8  o 0.679611 0.316802  0.0271319    1.05177  1.83714      1.52652  -1.60868     1.4512   0.966481 0.421106  0.617662 0.306703  
1 1 1 70 23 9  o 1.46944  0.344568  3.21028      0.996159 3.07675      1.3289   3.38156      1.50505  1.24377  0.433789  1.24098  0.458603  
1 1 1 70 23 10 o 0.978598 0.367048  1.66297      0.971236 0.993461     1.30929  2.48217      1.44828  0.821896 0.371961  1.05171  0.431092  
1 1 1 70 23 11 o 0.935512 0.356629  1.44572      0.92778  2.1841       1.4525   0.93684      1.20582  1.00903  0.42411   0.818193 0.364078  
1 1 1 70 23 12 o 0.967036 0.362194  1.62164      0.945057 1.2545       1.44757  1.89436      1.24763  0.850671 0.387028  0.969699 0.399239  
1 1 1 70 23 13 o 1.08771  0.364521  2.17025      0.934896 1.60122      1.4196   2.60605      1.24234  0.847434 0.384944  1.06151  0.410609  
1 1 1 70 24 0  o 0.929633 0.523134  2.04979      1.45848  2.04979      1.45848  2.04979      1.45848  1.05937  0.467144  ?        ?         
1 1 1 70 24 1  o 1.57115  0.34978   3.52214      1.07048  2.36556      1.51315  4.68099      1.51462  1.09652  0.44374   1.645    0.448253  
1 1 1 70 24 2  o 1.08731  0.3774    1.91423      1.00484  1.52604      1.40875  2.31629      1.4337   0.951753 0.409452  1.09389  0.436229  
1 1 1 70 24 3  o 0.763095 0.335895  0.580232     0.991849 -0.245604    1.38327  1.45411      1.42294  0.717283 0.343052  0.930128 0.405904  
1 1 1 70 24 4  o 0.813769 0.345585  0.86746      0.980924 0.940266     1.31908  0.777389     1.46717  0.845697 0.378426  0.832571 0.382633  
1 1 1 70 24 5  o 0.730531 0.329826  0.404897     1.02342  -2.21398     1.41812  3.25125      1.47842  0.577007 0.288503  1.24908  0.455325  
1 1 1 70 24 6  o 1.03568  0.38172   1.86533      1.04155  2.61413      1.52791  1.21531      1.42356  1.08787  0.443827  0.872994 0.39182   
1 1 1 70 24 7  o 0.774476 0.343704  0.707103     1.06648  0.493493     1.47464  0.941346     1.54422  0.779721 0.366365  0.832466 0.386435  
1 1 1 70 24 8  o 1.83832  0.329438  4.87346      1.16736  4.26214      1.58877  5.59072      1.72093  1.37381  0.474772  1.60485  0.490681  
1 1 1 70 24 9  o 1.11645  0.392515  2.26808      1.0899   1.69669      1.40728  3.12446      1.72286  0.931292 0.405036  1.10819  0.463647  
1 1 1 70 24 10 o 0.752478 0.335881  0.62952      1.03345  0.740872     1.38852  0.491231     1.54739  0.793683 0.367664  0.777185 0.368759  
1 1 1 70 24 11 o 0.726342 0.325606  0.599745     0.980472 2.57622      1.46575  -1.00085     1.31903  1.02585  0.428324  0.607988 0.299776  
1 1 1 70 24 12 o 0.801309 0.344047  1.2125       0.991187 0.900822     1.36634  1.55872      1.44006  0.741145 0.349522  0.812346 0.375588  
1 1 1 70 25 0  o 0.559792 0.391102  -0.202567    1.52676  -0.202567    1.52676  -0.202567    1.52676  0.489635 0.339879  ?        ?         
1 1 1 70 25 1  o 0.739945 0.33429   0.471044     1.05298  1.50127      1.50849  -0.507934    1.4705   0.910109 0.406033  0.694132 0.336877  
1 1 1 70 25 2  o 1.4139   0.370346  3.15094      1.05972  3.48027      1.50657  2.82842      1.49089  1.26861  0.459913  1.13341  0.447084  
1 1 1 70 25 3  o 0.566086 0.277558  -1.04015     1.06767  0.753814     1.58407  -2.53356     1.44529  0.815959 0.382666  0.560615 0.282433  
1 1 1 70 25 4  o 1.31179  0.390503  2.93773      1.09976  2.73136      1.57589  3.13366      1.53548  1.07936  0.446974  1.16602  0.455359  
1 1 1 70 25 5  o 0.761896 0.341038  0.667715     1.07209  1.94388      1.61668  -0.333993    1.43232  0.94214  0.420331  0.691241 0.334661  
1 1 1 70 25 6  o 0.803781 0.349019  0.908283     1.0418   0.432425     1.41125  1.47817      1.5444   0.762399 0.358277  0.888669 0.402986  
1 1 1 70 25 7  o 0.653598 0.30613   -0.0345076   1.00197  -0.80379     1.29891  1.0959       1.57454  0.635107 0.310116  0.84882  0.392559  
1 1 1 70 25 8  o 2.23452  0.260735  6.37458      1.16523  6.23509      1.54436  6.55895      1.77549  1.91448  0.415018  1.80077  0.48293   
1 1 1 70 25 9  o 0.779592 0.342085  0.862821     1.02218  1.69716      1.3178   -0.397431    1.61959  0.910275 0.393858  0.697573 0.341971  
1 1 1 70 25 10 o 0.648476 0.304219  0.19114      1.00415  -0.4419      1.3583   0.954074     1.49116  0.634705 0.311798  0.762859 0.361978  
1 1 1 70 26 0  o 0.516487 0.367966  -0.643222    1.51749  -0.643222    1.51749  -0.643222    1.51749  0.438868 0.311953  ?        ?         
1 1 1 70 26 1  o 1.23552  0.391565  2.6766       1.08356  1.93398      1.55217  3.38255      1.51334  0.951561 0.419432  1.22124  0.458149  
1 1 1 70 26 2  o 1.03703  0.385809  1.95222      1.06875  2.5998       1.60558  1.43702      1.43212  1.04697  0.443253  0.889315 0.396219  
1 1 1 70 26 3  o 0.740604 0.338407  0.457648     1.12931  2.38822      1.79441  -0.808535    1.4532   0.990934 0.442447  0.662515 0.32454   
1 1 1 70 26 4  o 2.12765  0.282879  5.94831      1.20373  6.32391      1.7877   5.63677      1.62814  1.76262  0.489811  1.71611  0.463464  
1 1 1 70 26 5  o 0.898761 0.377142  1.42364      1.14547  2.23735      1.66018  0.684306     1.58249  0.978942 0.432344  0.798935 0.376594  
1 1 1 70 26 6  o 1.1355   0.401032  2.47884      1.13887  2.38726      1.55151  2.58584      1.67703  1.00023  0.429983  1.00843  0.44036   
1 1 1 70 26 7  o 0.685178 0.320354  0.256132     1.08568  1.46029      1.46425  -1.2142      1.61801  0.852555 0.38825   0.639882 0.318574  
1 1 1 70 26 8  o 0.761673 0.341167  0.954824     1.0745   1.52119      1.4363   0.235001     1.61922  0.822738 0.378312  0.70552  0.344896  
1 1 1 70 26 9  o 0.697685 0.320409  0.601862     1.02672  1.13702      1.3627   -0.100859    1.56153  0.766662 0.358628  0.668748 0.329375  
1 1 1 70 27 0  o 0.599987 0.415877  0.270924     1.60708  0.270924     1.60708  0.270924     1.60708  0.551527 0.371513  ?        ?         
1 1 1 70 27 1  o 1.55525  0.376793  3.9505       1.16135  3.58645      1.64994  4.30797      1.63495  1.17544  0.468216  1.33031  0.479421  
1 1 1 70 27 2  o 0.781507 0.35158   0.836711     1.15254  0.612667     1.71672  1.02056      1.55511  0.783311 0.376438  0.814995 0.381663  
1 1 1 70 27 3  o 1.03699  0.411656  2.34977      1.27141  1.01993      1.76799  3.77402      1.82968  0.809157 0.387194  1.11811  0.473264  
1 1 1 70 27 4  o 2.12029  0.289671  6.26029      1.22837  5.38281      1.60181  7.51305      1.91393  1.53815  0.47403   1.77002  0.511735  
1 1 1 70 27 5  o 0.982906 0.388151  2.11123      1.12491  1.87859      1.54519  2.37356      1.64085  0.860135 0.394199  0.907354 0.412614  
1 1 1 70 27 6  o 1.42456  0.410135  4.07722      1.23192  1.40556      1.58333  8.17565      1.96106  0.788344 0.373563  1.73112  0.522708  
1 1 1 70 28 0  o 1.13691  0.622546  4.45388      1.99486  4.45388      1.99486  4.45388      1.99486  1.56497  0.510728  ?        ?         
1 1 1 70 28 1  f 1.13783  0.421771  3.13684      1.27496  2.31191      1.89958  3.81309      1.7199   0.848209 0.404792  1.05404  0.452903  
1 1 1 70 28 2  o 0.607081 0.297995  -0.496045    1.23661  -2.1299      1.73874  1.17631      1.75911  0.585552 0.296459  0.764972 0.370448  
1 1 1 71 0  0  o 2.77505  0.282221  8.1148       1.52922  8.1148       1.52922  8.1148       1.52922  2.81296  0.194333  ?        ?         
1 1 1 71 0  1  o 5.2658   0.12298   27.9013      1.29358  27.9013      1.29358  27.9013      1.29358  5.27396  0.0867712 ?        ?         
1 1 1 71 0  2  o 5.08704  0.116819  26.0266      1.18711  26.0266      1.18711  26.0266      1.18711  5.09431  0.0824361 ?        ?         
1 1 1 71 0  3  o 3.90937  0.134979  15.4232      1.05251  15.4232      1.05251  15.4232      1.05251  3.91828  0.0950967 ?        ?         
1 1 1 71 0  4  o 3.33205  0.135331  11.2204      0.898479 11.2204      0.898479 11.2204      0.898479 3.34086  0.0952587 ?        ?         
1 1 1 71 0  5  o 2.45294  0.17423   6.16434      0.844845 6.16434      0.844845 6.16434      0.844845 2.46807  0.1217    ?        ?         
1 1 1 71 0  6  o 0.467815 0.311589  -0.123195    0.753334 -0.123195    0.753334 -0.123195    0.753334 0.387553 0.259098  ?        ?         
1 1 1 71 0  7  o 2.04895  0.213795  4.39525      0.854275 4.39525      0.854275 4.39525      0.854275 2.07356  0.147369  ?        ?         
1 1 1 71 0  8  o 3.29022  0.140662  10.9599      0.921772 10.9599      0.921772 10.9599      0.921772 3.30046  0.0989437 ?        ?         
1 1 1 71 0  9  o 1.43943  0.338578  2.4513       0.845981 2.4513       0.845981 2.4513       0.845981 1.51439  0.205967  ?        ?         
1 1 1 71 0  10 o 0.792773 0.416951  0.987214     0.866657 0.987214     0.866657 0.987214     0.866657 0.812471 0.360101  ?        ?         
1 1 1 71 0  11 o 2.14541  0.212211  4.81197      0.890118 4.81197      0.890118 4.81197      0.890118 2.17027  0.14654   ?        ?         
1 1 1 71 0  12 o 0.504619 0.335367  -0.0976413   0.862057 -0.0976413   0.862057 -0.0976413   0.862057 0.421508 0.280631  ?        ?         
1 1 1 71 0  13 o 0.623834 0.383378  0.426255     0.904082 0.426255     0.904082 0.426255     0.904082 0.569727 0.335716  ?        ?         
1 1 1 71 0  14 o 0.96397  0.444802  1.45515      0.937067 1.45515      0.937067 1.45515      0.937067 1.0418   0.355231  ?        ?         
1 1 1 71 0  15 o 2.11456  0.247088  4.77691      1.01258  4.77691      1.01258  4.77691      1.01258  2.15169  0.16877   ?        ?         
1 1 1 71 0  16 o 0.739796 0.421721  0.847561     0.96213  0.847561     0.96213  0.847561     0.96213  0.729405 0.372896  ?        ?         
1 1 1 71 0  17 o 1.23446  0.444012  2.16826      1.0007   2.16826      1.0007   2.16826      1.0007   1.35985  0.297434  ?        ?         
1 1 1 71 0  18 o 1.53365  0.374402  2.8887       0.99392  2.8887       0.99392  2.8887       0.99392  1.63033  0.228078  ?        ?         
1 1 1 71 0  19 f 0.69513  0.418678  0.689793     1.03211  0.689793     1.03211  0.689793     1.03211  0.661741 0.370989  ?        ?         
1 1 1 71 0  20 o 0.482082 0.333441  -0.468703    1.02434  -0.468703    1.02434  -0.468703    1.02434  0.392411 0.272927  ?        ?         
1 1 1 71 0  21 o 0.629572 0.40583   0.361575     1.1433   0.361575     1.1433   0.361575     1.1433   0.567654 0.355229  ?        ?         
1 1 1 71 0  22 o 0.907164 0.487321  1.53362      1.20356  1.53362      1.20356  1.53362      1.20356  0.974009 0.42436   ?        ?         
1 1 1 71 0  23 o 0.8433   0.477373  1.37896      1.22297  1.37896      1.22297  1.37896      1.22297  0.88904  0.425861  ?        ?         
1 1 1 71 0  24 o 1.10085  0.51167   2.29101      1.24102  2.29101      1.24102  2.29101      1.24102  1.27768  0.393548  ?        ?         
1 1 1 71 0  25 o 0.584531 0.39285   0.143408     1.25763  0.143408     1.25763  0.143408     1.25763  0.518972 0.343276  ?        ?         
1 1 1 71 0  26 o 0.535988 0.375902  -0.353987    1.43755  -0.353987    1.43755  -0.353987    1.43755  0.462238 0.321858  ?        ?         
1 1 1 71 0  27 o 0.846046 0.50295   1.86552      1.45607  1.86552      1.45607  1.86552      1.45607  0.951486 0.46369   ?        ?         
1 1 1 71 0  28 o 0.423866 0.310546  -1.58843     1.40893  -1.58843     1.40893  -1.58843     1.40893  0.343028 0.25233   ?        ?         
1 1 1 71 1  0  f 1.30431  0.398903  2.18062      0.907195 2.18062      0.907195 2.18062      0.907195 1.40193  0.253632  ?        ?         
1 1 1 71 1  1  o 3.81161  0.0959635 14.6133      0.73155  15.8854      1.01737  13.2513      1.05267  3.9648   0.128301  3.61579  0.145565  
1 1 1 71 1  2  o 2.15336  0.144719  4.69902      0.623264 5.09309      0.867543 4.27867      0.896001 2.22977  0.194536  2.037    0.219931  
1 1 1 71 1  3  o 0.7474   0.282444  0.450422     0.577749 1.33658      0.842546 -0.336077    0.793757 1.10863  0.344226  0.642896 0.290354  
1 1 1 71 1  4  o 1.98316  0.145762  3.98778      0.578138 4.49162      0.811498 3.46848      0.823864 2.09357  0.193807  1.83209  0.224842  
1 1 1 71 1  5  o 0.542193 0.242534  -0.199695    0.541415 -0.816497    0.764739 0.42014      0.766617 0.552219 0.260737  0.801709 0.319215  
1 1 1 71 1  6  o 1.43727  0.200345  2.12327      0.575897 3.2542       0.839858 1.11958      0.791202 1.76972  0.237286  1.0266   0.33534   
1 1 1 71 1  7  o 1.6502   0.179141  2.78639      0.591236 3.81611      0.864211 1.88041      0.810628 1.91869  0.225208  1.30122  0.314516  
1 1 1 71 1  8  f 1.24872  0.242963  1.67667      0.585132 1.01429      0.852468 2.26676      0.804607 0.996579 0.347446  1.43934  0.289683  
1 1 1 71 1  9  o 0.980225 0.290937  1.04244      0.611058 1.74799      0.894766 0.425786     0.836505 1.24581  0.346634  0.82253  0.331137  
1 1 1 71 1  10 o 3.56695  0.102952  12.8259      0.734449 12.2275      1.01603  13.4808      1.06288  3.4685   0.146466  3.64214  0.145915  
1 1 1 71 1  11 o 2.2897   0.141176  5.32376      0.646504 6.00074      0.91219  4.64049      0.916414 2.41646  0.188745  2.11601  0.216543  
1 1 1 71 1  12 o 1.68665  0.188907  2.93105      0.637239 3.21719      0.896227 2.63847      0.90624  1.74558  0.256713  1.54318  0.304468  
1 1 1 71 1  13 o 2.02627  0.168422  4.20831      0.682539 4.29164      0.930611 4.11132      1.00408  2.02507  0.229772  1.97213  0.254568  
1 1 1 71 1  14 o 2.67221  0.133002  7.26013      0.71082  7.09394      0.971467 7.45164      1.04282  2.6213   0.185303  2.68234  0.194387  
1 1 1 71 1  15 o 2.67449  0.143299  7.30911      0.766504 8.52152      1.04305  5.88568      1.13019  2.86929  0.181761  2.35515  0.23994   
1 1 1 71 1  16 o 3.26249  0.125222  10.8389      0.81707  11.6745      1.11971  9.88731      1.19498  3.36273  0.166488  3.07732  0.194159  
1 1 1 71 1  17 o 1.91346  0.189581  3.82466      0.72551  5.81196      1.06102  2.07947      0.994284 2.33724  0.22698   1.31261  0.365462  
1 1 1 71 1  18 o 1.25336  0.28245   1.79295      0.691072 2.50843      0.998043 1.13394      0.957842 1.44601  0.348655  1.00993  0.366658  
1 1 1 71 1  19 o 0.837296 0.323453  0.666297     0.770389 -0.128735    1.06157  1.55087      1.11975  0.749196 0.337211  1.12239  0.397524  
1 1 1 71 1  20 o 0.506246 0.245508  -1.08558     0.77844  -0.823517    1.12574  -1.32571     1.0776   0.667963 0.315797  0.598947 0.290029  
1 1 1 71 1  21 o 1.30629  0.328981  2.12017      0.85961  2.14817      1.20524  2.09117      1.22639  1.24764  0.413883  1.22938  0.417498  
1 1 1 71 1  22 o 0.656242 0.296136  -0.0986212   0.823987 0.562103     1.14894  -0.798346    1.18236  0.85889  0.36964   0.674978 0.321248  
1 1 1 71 1  23 o 0.894091 0.347118  0.982571     0.889547 0.860162     1.23147  1.11613      1.28634  0.897968 0.384448  0.949233 0.399053  
1 1 1 71 1  24 o 1.01618  0.353465  1.45317      0.881828 1.48944      1.26209  1.41857      1.23262  1.00096  0.40518   0.986772 0.400017  
1 1 1 71 1  25 o 0.552178 0.268502  -0.962889    0.942068 -1.244       1.44768  -0.75641     1.24071  0.659435 0.323286  0.653201 0.315397  
1 1 1 71 1  26 o 0.751663 0.333735  0.598635     1.00708  -0.298107    1.40794  1.5381       1.44109  0.697763 0.336684  0.910884 0.40248   
1 1 1 71 1  27 f 0.764102 0.337423  0.706098     1.01082  0.659505     1.4243   0.753379     1.43479  0.785962 0.367262  0.797471 0.371075  
1 1 1 71 1  28 o 0.700822 0.323226  0.611738     1.05802  1.76891      1.53193  -0.443614    1.46298  0.829018 0.384857  0.637009 0.314474  
1 1 1 71 2  0  o 1.54217  0.319891  2.72638      0.870143 2.72638      0.870143 2.72638      0.870143 1.60579  0.198416  ?        ?         
1 1 1 71 2  1  o 3.95448  0.0937094 15.7297      0.741144 14.8903      1.0449   16.5796      1.0514   3.83503  0.13623   4.04902  0.129835  
1 1 1 71 2  2  o 4.46036  0.0857798 19.9935      0.765219 20.5981      1.07155  19.3643      1.09314  4.51713  0.118609  4.37753  0.124858  
1 1 1 71 2  3  o 1.42955  0.208169  2.10426      0.595176 2.07547      0.855202 2.13129      0.828829 1.36917  0.3181    1.39151  0.306101  
1 1 1 71 2  4  o 0.583323 0.254834  -0.0726248   0.562109 -0.0390168   0.786633 -0.107691    0.803519 0.696629 0.302897  0.689853 0.302998  
1 1 1 71 2  5  o 2.81472  0.112667  7.99511      0.63425  8.54325      0.925614 7.50994      0.87082  2.89642  0.159786  2.71545  0.160346  
1 1 1 71 2  6  o 1.84847  0.157149  3.47964      0.580971 4.56471      0.877394 2.63243      0.775282 2.10287  0.208618  1.58779  0.244139  
1 1 1 71 2  7  f 1.91226  0.153535  3.72136      0.587198 3.82153      0.852926 3.6311       0.809613 1.91974  0.222146  1.87308  0.216118  
1 1 1 71 2  8  o 2.77264  0.116224  7.76609      0.644496 8.54437      0.938578 7.07169      0.886555 2.89441  0.162136  2.63114  0.168473  
1 1 1 71 2  9  o 1.61997  0.190878  2.69737      0.618433 2.43027      0.913014 2.92381      0.840653 1.47808  0.317968  1.66992  0.251705  
1 1 1 71 2  10 o 2.07407  0.154     4.3814       0.638811 4.27733      0.893261 4.49034      0.913922 2.03014  0.22      2.08019  0.219673  
1 1 1 71 2  11 o 3.86854  0.0967175 15.0845      0.748312 15.288       1.0547   14.8781      1.06188  3.87977  0.135923  3.82616  0.138766  
1 1 1 71 2  12 o 5.42326  0.0931712 29.6363      1.01058  28.9242      1.35599  30.526       1.51566  5.3404   0.126956  5.47913  0.138312  
1 1 1 71 2  13 o 0.542811 0.250076  -0.415632    0.631067 -0.66104     0.883977 -0.160569    0.901199 0.622978 0.290415  0.711323 0.315779  
1 1 1 71 2  14 o 2.81088  0.132057  8.04447      0.742391 7.32658      1.045    8.77596      1.05486  2.65399  0.196875  2.91336  0.181039  
1 1 1 71 2  15 o 1.3179   0.266457  1.93141      0.677767 1.80798      0.953466 2.05749      0.96363  1.23442  0.362584  1.31668  0.356987  
1 1 1 71 2  16 o 0.797412 0.302591  0.578275     0.665393 0.252695     0.937537 0.908723     0.944519 0.792619 0.337265  0.952256 0.360758  
1 1 1 71 2  17 o 0.589919 0.267902  -0.269251    0.686629 0.128092     0.987264 -0.641508    0.95559  0.779832 0.339208  0.643857 0.300845  
1 1 1 71 2  18 o 0.522061 0.249133  -0.772848    0.719332 -1.12177     1.02074  -0.428607    1.01387  0.607234 0.291443  0.691046 0.317795  
1 1 1 71 2  19 o 1.75276  0.22881   3.32967      0.8021   3.15529      1.16596  3.48635      1.10516  1.58288  0.373821  1.70073  0.336889  
1 1 1 71 2  20 o 1.07421  0.334439  1.4331       0.794598 1.63125      1.10592  1.22165      1.14243  1.11644  0.395098  1.01213  0.393287  
1 1 1 71 2  21 o 0.922857 0.338122  0.996875     0.81617  1.99261      1.16982  0.0524628    1.13927  1.20209  0.407756  0.778413 0.349905  
1 1 1 71 2  22 f 0.746168 0.324949  0.290135     0.908017 -0.304636    1.27198  0.90818      1.29663  0.745152 0.347756  0.926762 0.395556  
1 1 1 71 2  23 o 0.761018 0.32664   0.456321     0.892914 0.0420543    1.20204  0.966344     1.33375  0.756542 0.347124  0.913647 0.395788  
1 1 1 71 2  24 o 1.02054  0.365005  1.51497      0.946108 2.05144      1.40902  1.07451      1.27673  1.09726  0.434062  0.914188 0.391422  
1 1 1 71 2  25 o 0.55026  0.267471  -0.861123    0.933358 -0.252669    1.41698  -1.32745     1.24049  0.717043 0.34396   0.593916 0.292503  
1 1 1 71 2  26 o 0.715523 0.324783  0.414458     1.00641  -0.568952    1.40497  1.45086      1.44233  0.669536 0.326132  0.887285 0.396407  
1 1 1 71 2  27 o 0.626485 0.297817  -0.131708    1.01354  1.07318      1.47119  -1.22018     1.39831  0.80624  0.375385  0.605429 0.300688  
1 1 1 71 3  0  o 6.1903   0.119844  38.5598      1.48248  38.5598      1.48248  38.5598      1.48248  6.20001  0.0845734 ?        ?         
1 1 1 71 3  1  o 5.29244  0.0895802 28.1717      0.948196 27.0278      1.34405  29.305       1.33788  5.16757  0.130047  5.38367  0.124253  
1 1 1 71 3  2  o 3.6653   0.0977587 13.5277      0.716631 13.5735      1.03081  13.4849      0.996976 3.65803  0.140897  3.64759  0.136662  
1 1 1 71 3  3  o 1.83152  0.168685  3.42495      0.617898 3.81502      0.903073 3.0816       0.847274 1.91443  0.23586   1.71743  0.246668  
1 1 1 71 3  4  o 1.91717  0.159552  3.74532      0.611778 4.00983      0.909775 3.52697      0.826567 1.96369  0.231649  1.84393  0.224132  
1 1 1 71 3  5  o 1.0032   0.273867  1.09844      0.564741 1.49998      0.826194 0.746296     0.773715 1.16029  0.336467  0.896812 0.329149  
1 1 1 71 3  6  o 2.26374  0.130083  5.18993      0.588946 5.24365      0.860137 5.14251      0.808088 2.25923  0.190361  2.24039  0.180345  
1 1 1 71 3  7  o 2.86855  0.112998  8.30843      0.648278 9.26661      0.951503 7.47831      0.885642 3.01568  0.157759  2.70722  0.16357   
1 1 1 71 3  8  f 1.22258  0.253463  1.61992      0.598938 1.32431      0.877168 1.87812      0.819792 1.09936  0.352701  1.29663  0.318095  
1 1 1 71 3  9  o 1.55393  0.195914  2.4883       0.608874 3.47891      0.894419 1.63277      0.831207 1.8221   0.245436  1.20506  0.333704  
1 1 1 71 3  10 o 1.91469  0.171738  3.75873      0.657648 3.66833      0.889082 3.86795      0.977268 1.87068  0.237636  1.91413  0.255277  
1 1 1 71 3  11 o 2.55945  0.131527  6.65045      0.673272 6.92052      0.91948  6.33827      0.988569 2.59511  0.177156  2.47454  0.199748  
1 1 1 71 3  12 o 2.69498  0.128618  7.37359      0.693245 6.96866      0.966861 7.80203      0.994518 2.5987   0.186028  2.75211  0.180683  
1 1 1 71 3  13 o 3.54186  0.109761  12.7002      0.777515 11.0359      1.045    14.764       1.1637   3.27975  0.159311  3.79709  0.153235  
1 1 1 71 3  14 o 2.55261  0.135187  6.65023      0.690159 6.03558      0.963488 7.29797      0.989079 2.40255  0.200514  2.64962  0.186646  
1 1 1 71 3  15 o 0.541027 0.251065  -0.454931    0.651131 -0.590935    0.944485 -0.331744    0.898884 0.649619 0.30181   0.671142 0.30525   
1 1 1 71 3  16 o 0.820928 0.301835  0.662711     0.650881 0.408596     0.953361 0.884565     0.890792 0.828811 0.345707  0.934301 0.351304  
1 1 1 71 3  17 o 0.839817 0.316095  0.688308     0.721539 1.39357      1.01406  -0.0348871   1.02688  1.08507  0.378887  0.75924  0.337062  
1 1 1 71 3  18 o 0.695674 0.297041  0.174204     0.731704 -0.398431    0.991204 0.859929     1.08467  0.683434 0.314265  0.942581 0.378063  
1 1 1 71 3  19 o 2.66705  0.157922  7.42251      0.842373 7.44596      1.16293  7.39661      1.22184  2.61791  0.22211   2.59664  0.235274  
1 1 1 71 3  20 o 0.923758 0.336935  0.993843     0.80966  0.909936     1.17823  1.06892      1.11449  0.943638 0.388153  0.970972 0.385427  
1 1 1 71 3  21 o 1.73372  0.244304  3.38106      0.847109 3.68603      1.21594  3.09345      1.18082  1.67304  0.373018  1.50871  0.388957  
1 1 1 71 3  22 o 0.733265 0.320124  0.292828     0.885806 -0.837811    1.30877  1.24858      1.2033   0.688859 0.330471  0.970594 0.394575  
1 1 1 71 3  23 o 1.41531  0.353406  2.76896      0.998399 2.38381      1.4379   3.12752      1.38736  1.17539  0.445169  1.36964  0.443985  
1 1 1 71 3  24 o 1.41022  0.352943  2.84574      0.994063 2.28442      1.43783  3.3597       1.37585  1.11168  0.438885  1.38674  0.441404  
1 1 1 71 3  25 o 0.949069 0.37341   1.54243      1.03754  -0.00737744  1.47187  3.07317      1.46279  0.735211 0.352163  1.19259  0.449791  
1 1 1 71 3  26 o 0.697597 0.319603  0.266505     1.0148   -2.65908     1.43013  3.23346      1.44021  0.549591 0.277187  1.22383  0.44908   
1 1 1 71 3  27 o 0.671968 0.314976  0.390687     1.06823  1.59557      1.61385  -0.548866    1.42512  0.805051 0.37972   0.625742 0.309265  
1 1 1 71 4  0  o 2.36019  0.193652  5.75803      0.899952 5.75803      0.899952 5.75803      0.899952 2.38033  0.134657  ?        ?         
1 1 1 71 4  1  o 4.12231  0.0923729 17.1021      0.761579 16.3882      1.06593  17.8465      1.08849  4.0219   0.132516  4.1982   0.129638  
1 1 1 71 4  2  o 1.68616  0.180464  2.91266      0.608581 2.39112      0.860561 3.43445      0.860767 1.47361  0.302387  1.81536  0.237079  
1 1 1 71 4  3  o 2.42462  0.129283  5.95277      0.626925 5.39489      0.935383 6.40777      0.844741 2.28697  0.204503  2.50469  0.168632  
1 1 1 71 4  4  o 1.6677   0.176687  2.84688      0.589323 2.31973      0.899857 3.24278      0.779829 1.44325  0.320195  1.76853  0.220473  
1 1 1 71 4  5  o 1.61765  0.178843  2.68043      0.578613 2.16674      0.850648 3.12276      0.78935  1.39664  0.312418  1.73326  0.227707  
1 1 1 71 4  6  o 1.09804  0.2658    1.31857      0.578296 2.48428      0.882115 0.439954     0.765826 1.50099  0.304456  0.803065 0.319271  
1 1 1 71 4  7  o 1.91084  0.161509  3.72475      0.617236 1.86263      0.907804 5.32571      0.841742 1.28365  0.345803  2.27792  0.184761  
1 1 1 71 4  8  o 2.69184  0.12553   7.33926      0.675816 6.23914      0.968456 8.38347      0.943528 2.45924  0.196901  2.8639   0.164728  
1 1 1 71 4  9  o 2.4484   0.135566  6.09089      0.663839 5.6043       0.945766 6.56343      0.932006 2.32589  0.203312  2.52478  0.184572  
1 1 1 71 4  10 o 1.86665  0.175696  3.57912      0.655926 2.99531      0.939433 4.13446      0.916241 1.64811  0.295733  1.98732  0.230522  
1 1 1 71 4  11 o 1.66664  0.196096  2.87653      0.653643 2.25907      0.880415 3.63487      0.975692 1.41393  0.318921  1.84786  0.264006  
1 1 1 71 4  12 f 4.43566  0.103073  19.8893      0.91439  19.3666      1.35147  20.3306      1.24177  4.34758  0.155427  4.46519  0.13905   
1 1 1 71 4  13 o 4.73871  0.108383  22.7503      1.02719  23.1809      1.52127  22.3894      1.39258  4.7467   0.160245  4.67385  0.148976  
1 1 1 71 4  14 o 1.38181  0.252788  2.10622      0.672618 0.823204     0.953334 3.37795      0.949131 0.932081 0.359867  1.76313  0.269161  
1 1 1 71 4  15 o 1.85074  0.187731  3.57618      0.694884 3.53069      0.975723 3.623        0.989859 1.79795  0.271343  1.82105  0.271782  
1 1 1 71 4  16 o 1.13722  0.295662  1.4957       0.678611 2.71391      0.946262 0.205738     0.973731 1.52442  0.320508  0.788466 0.339822  
1 1 1 71 4  17 o 0.683009 0.292884  0.137226     0.71673  -1.13794     0.988294 1.55197      1.04098  0.591478 0.284581  1.12362  0.384646  
1 1 1 71 4  18 o 2.02791  0.191907  4.36367      0.778341 5.81378      1.06524  2.70274      1.14005  2.3107   0.230501  1.44468  0.386772  
1 1 1 71 4  19 o 2.50735  0.172188  6.63133      0.863472 7.57405      1.23501  5.7298       1.20772  2.62129  0.235573  2.24892  0.268511  
1 1 1 71 4  20 o 0.897191 0.333885  0.919555     0.800548 0.195064     1.14633  1.60927      1.11848  0.801733 0.356002  1.09973  0.396512  
1 1 1 71 4  21 o 0.817434 0.343354  0.599073     0.950972 0.138088     1.47125  0.929879     1.24632  0.836915 0.384015  0.922988 0.390632  
1 1 1 71 4  22 o 0.772467 0.333122  0.475561     0.936764 1.40064      1.50956  -0.103764    1.1946   0.990941 0.424996  0.735001 0.340689  
1 1 1 71 4  23 o 0.578304 0.27838   -0.807693    0.948573 -0.497473    1.44531  -1.04243     1.25724  0.734785 0.35124   0.6436   0.312084  
1 1 1 71 4  24 o 0.743748 0.329837  0.501629     0.979875 0.571861     1.44915  0.442471     1.33001  0.80633  0.374321  0.779675 0.360661  
1 1 1 71 4  25 o 0.669835 0.313854  0.0418412    1.05684  -1.24299     1.55453  1.14603      1.44111  0.645793 0.320098  0.845297 0.385005  
1 1 1 71 4  26 o 1.74356  0.336898  4.53328      1.13287  3.75238      1.6719   5.19619      1.54041  1.18684  0.471771  1.59996  0.457966  
1 1 1 71 5  0  o 3.63923  0.136548  13.3931      0.990683 13.3931      0.990683 13.3931      0.990683 3.64948  0.0961259 ?        ?         
1 1 1 71 5  1  o 1.51394  0.207775  2.36727      0.62912  1.89713      0.90493  2.80707      0.875234 1.29657  0.343443  1.63133  0.268258  
1 1 1 71 5  2  o 4.08527  0.0871621 16.786       0.712161 15.7993      1.00779  17.7702      1.0065   3.9504   0.127556  4.19249  0.120036  
1 1 1 71 5  3  o 1.62585  0.180053  2.70886      0.585478 2.62338      0.859621 2.78283      0.799614 1.5504   0.288005  1.63111  0.245113  
1 1 1 71 5  4  o 4.37651  0.0878597 19.2673      0.769037 18.9119      1.1454   19.559       1.03772  4.31971  0.132579  4.39911  0.117947  
1 1 1 71 5  5  o 1.76341  0.164834  3.17482      0.581341 3.91919      0.860973 2.55109      0.788128 1.94318  0.221537  1.55919  0.252737  
1 1 1 71 5  6  o 2.85325  0.112506  8.22407      0.642017 7.54192      0.94028  8.81985      0.87874  2.71366  0.17325   2.94353  0.149266  
1 1 1 71 5  7  o 0.890419 0.293622  0.831968     0.606591 0.717596     0.880942 0.935086     0.836482 0.908164 0.347129  0.963459 0.343346  
1 1 1 71 5  8  o 1.13504  0.276709  1.42557      0.623338 0.779723     0.896514 2.02998      0.86728  0.927815 0.351479  1.33902  0.326367  
1 1 1 71 5  9  o 0.723749 0.287269  0.355071     0.619066 1.27362      0.906349 -0.44823     0.847586 1.07717  0.358913  0.641269 0.293083  
1 1 1 71 5  10 o 3.50311  0.108991  12.4089      0.763615 11.7806      1.07762  13.0426      1.08222  3.39232  0.158833  3.57316  0.151438  
1 1 1 71 5  11 o 1.27071  0.269002  1.79048      0.662694 1.31091      0.921535 2.30408      0.953671 1.08085  0.361907  1.41079  0.341226  
1 1 1 71 5  12 o 3.45098  0.117317  12.0923      0.809717 11.4759      1.21077  12.591       1.0891   3.32639  0.181994  3.50121  0.155532  
1 1 1 71 5  13 o 2.90388  0.123637  8.58627      0.718054 8.69117      1.01505  8.48119      1.01591  2.89564  0.175272  2.85907  0.177665  
1 1 1 71 5  14 o 1.24914  0.271732  1.75776      0.659924 2.13716      0.939049 1.38754      0.927602 1.33984  0.347548  1.0905   0.363097  
1 1 1 71 5  15 o 0.624691 0.273972  -0.0301978   0.654955 -0.713343    0.900951 0.735445     0.953801 0.611614 0.287149  0.902788 0.357127  
1 1 1 71 5  16 o 0.961389 0.311612  1.06201      0.683422 1.52036      0.956754 0.58448      0.976561 1.11839  0.368758  0.864682 0.354139  
1 1 1 71 5  17 f 1.14727  0.315708  1.58012      0.746815 0.953235     1.00322  2.35931      1.11847  0.947931 0.368505  1.34914  0.391565  
1 1 1 71 5  18 o 2.14175  0.180592  4.85864      0.773564 5.21827      1.06393  4.45531      1.12673  2.16881  0.245281  1.96932  0.286071  
1 1 1 71 5  19 o 1.69552  0.239842  3.19122      0.813315 3.4838       1.14612  2.89444      1.15432  1.65816  0.355861  1.47609  0.386471  
1 1 1 71 5  20 o 1.95367  0.244132  4.31085      0.953906 5.6125       1.51622  3.45812      1.22721  2.05556  0.383083  1.59286  0.38822   
1 1 1 71 5  21 o 0.758497 0.331462  0.354974     0.951579 0.568105     1.60506  0.23946      1.18164  0.893306 0.406723  0.786005 0.354664  
1 1 1 71 5  22 o 1.17998  0.36451   2.00562      0.946392 2.11587      1.48068  1.92947      1.23056  1.11231  0.443398  1.10193  0.413184  
1 1 1 71 5  23 o 1.27426  0.372243  2.46008      1.00762  1.66153      1.53518  3.06447      1.33556  0.986961 0.426045  1.32061  0.435685  
1 1 1 71 5  24 o 0.645603 0.303694  -0.149987    1.01894  -1.10054     1.58591  0.518256     1.32971  0.668445 0.329375  0.774916 0.359286  
1 1 1 71 5  25 o 1.79152  0.347169  4.7338       1.19952  5.02389      1.69885  4.44539      1.69392  1.50974  0.491381  1.37922  0.488888  
1 1 1 71 5  26 o 0.549639 0.270745  -0.77632     1.0378   -0.750525    1.53021  -0.79829     1.41221  0.62759  0.312086  0.609726 0.302734  
1 1 1 71 6  0  o 1.76489  0.288608  3.4397       0.936514 3.4397       0.936514 3.4397       0.936514 1.81482  0.186994  ?        ?         
1 1 1 71 6  1  o 4.13634  0.0900406 17.2169      0.744878 17.1306      1.0694   17.2982      1.03813  4.11201  0.130034  4.13389  0.125563  
1 1 1 71 6  2  o 3.07771  0.10688   9.55718      0.657892 9.58068      0.968226 9.53703      0.896686 3.0654   0.157928  3.06255  0.146395  
1 1 1 71 6  3  o 4.65992  0.0863475 21.8444      0.804744 21.8382      1.1578   21.8501      1.11934  4.64436  0.124646  4.64753  0.120423  
1 1 1 71 6  4  o 1.43474  0.207921  2.13168      0.596622 2.97225      0.88717  1.43764      0.806141 1.67648  0.264592  1.13371  0.333523  
1 1 1 71 6  5  o 1.80036  0.165048  3.31664      0.594291 4.24193      0.859044 2.46732      0.823021 2.02113  0.212516  1.49947  0.284735  
1 1 1 71 6  6  o 4.02821  0.0991919 16.3662      0.79913  14.8523      1.13277  17.866       1.12753  3.81737  0.148371  4.19388  0.134425  
1 1 1 71 6  7  o 2.37263  0.133662  5.71791      0.634263 6.11457      0.90947  5.34231      0.884998 2.43565  0.186699  2.27373  0.194614  
1 1 1 71 6  8  o 2.37286  0.139567  5.72887      0.662347 6.11611      0.915123 5.30282      0.959879 2.43471  0.187932  2.25736  0.212611  
1 1 1 71 6  9  o 2.29914  0.145259  5.39399      0.667944 5.59106      0.9413   5.19411      0.947967 2.31893  0.20296   2.23102  0.212451  
1 1 1 71 6  10 o 0.902755 0.297376  0.87687      0.6222   0.493563     0.870373 1.27747      0.889796 0.836573 0.337367  1.06709  0.35562   
1 1 1 71 6  11 o 2.34814  0.155     5.66284      0.727924 5.09718      1.06268  6.16288      0.999139 2.18579  0.243087  2.42496  0.206011  
1 1 1 71 6  12 o 2.07538  0.173319  4.46166      0.719409 4.91392      1.08936  4.11187      0.958042 2.1356   0.255046  1.95927  0.244489  
1 1 1 71 6  13 o 0.973279 0.314788  1.06755      0.697696 1.18479      0.99945  0.956102     0.974409 1.03481  0.37465   0.96866  0.366584  
1 1 1 71 6  14 o 1.66935  0.212342  2.9507       0.708948 1.41151      1.00828  4.45568      0.997017 1.09541  0.378254  2.03227  0.245297  
1 1 1 71 6  15 o 0.721646 0.291073  0.369067     0.648058 0.449911     0.889204 0.277478     0.946457 0.813655 0.336275  0.791353 0.337861  
1 1 1 71 6  16 o 3.02     0.134749  9.37973      0.813884 8.49549      1.0897   10.4953      1.22398  2.83358  0.192283  3.14754  0.194434  
1 1 1 71 6  17 o 1.713    0.217385  3.17799      0.744762 3.44225      1.01947  2.87555      1.09063  1.70034  0.311383  1.50311  0.365753  
1 1 1 71 6  18 o 0.814589 0.313206  0.675791     0.720572 0.331038     0.997349 1.05226      1.04222  0.794419 0.34317   0.96025  0.375124  
1 1 1 71 6  19 o 2.05915  0.211408  4.62515      0.870641 4.812        1.28233  4.46535      1.18587  1.99368  0.321599  1.93632  0.306217  
1 1 1 71 6  20 o 1.93709  0.251923  4.32438      0.975993 6.0585       1.53985  3.15994      1.26182  2.15352  0.35752   1.46579  0.412878  
1 1 1 71 6  21 o 1.36638  0.357624  2.59924      0.988644 4.65851      1.65206  1.45033      1.23399  1.65964  0.474025  0.997034 0.401858  
1 1 1 71 6  22 o 1.20767  0.361721  2.11061      0.941665 4.95973      1.53393  0.387533     1.1929   1.7735   0.435142  0.791942 0.3569    
1 1 1 71 6  23 o 1.976    0.267237  4.92219      1.05612  4.29393      1.67482  5.33693      1.36078  1.40564  0.487297  1.88212  0.374795  
1 1 1 71 6  24 o 0.653037 0.306765  -0.0571734   1.03263  -1.69596     1.52973  1.31475      1.39965  0.615919 0.307077  0.868131 0.389103  
1 1 1 71 6  25 o 0.807331 0.356584  1.0005       1.12966  -1.17283     1.58739  3.23051      1.60795  0.645607 0.320606  1.11768  0.455533  
1 1 1 71 7  0  o 0.714777 0.41183   0.747915     0.928655 0.747915     0.928655 0.747915     0.928655 0.693188 0.363395  ?        ?         
1 1 1 71 7  1  o 4.46338  0.0895105 20.0591      0.79904  19.359       1.16904  20.6729      1.09465  4.36647  0.133866  4.51842  0.121132  
1 1 1 71 7  2  o 1.51567  0.201692  2.37864      0.611396 2.66892      0.895941 2.12566      0.836414 1.55349  0.299035  1.37751  0.310949  
1 1 1 71 7  3  o 2.98776  0.108229  9.01818      0.646725 10.8535      0.936026 7.34174      0.894594 3.26534  0.143327  2.67717  0.167078  
1 1 1 71 7  4  o 3.15248  0.107752  10.0394      0.679373 9.83583      0.971714 10.2341      0.950204 3.10305  0.156574  3.168    0.149969  
1 1 1 71 7  5  o 3.28447  0.104955  10.8925      0.689447 11.3679      0.993952 10.4516      0.957139 3.33917  0.148832  3.2015   0.149483  
1 1 1 71 7  6  o 3.91045  0.0939794 15.4117      0.735003 15.5781      1.04991  15.2517      1.0293   3.91565  0.134065  3.87499  0.132814  
1 1 1 71 7  7  o 0.734047 0.287684  0.400082     0.613986 0.086346     0.867653 0.714767     0.868963 0.746274 0.321198  0.899517 0.344489  
1 1 1 71 7  8  o 2.90486  0.125974  8.57326      0.731877 8.83382      1.0278   8.30524      1.04241  2.92734  0.175552  2.83428  0.183894  
1 1 1 71 7  9  o 1.32826  0.253395  1.93594      0.649008 1.81994      1.00286  2.01953      0.851321 1.24115  0.3736    1.3247   0.323645  
1 1 1 71 7  10 o 1.01873  0.301012  1.17379      0.655252 0.362016     1.00814  1.76756      0.862211 0.840265 0.353261  1.22861  0.339722  
1 1 1 71 7  11 o 2.97693  0.129806  9.04168      0.772846 7.19964      1.08791  10.9184      1.0981   2.61634  0.207907  3.2492   0.16898   
1 1 1 71 7  12 o 0.929691 0.317357  0.9459       0.708618 1.05341      1.00575  0.839916     0.998563 0.999295 0.373769  0.942049 0.367354  
1 1 1 71 7  13 o 2.18729  0.167543  4.95901      0.73293  5.94919      1.02927  3.94042      1.04393  2.3671   0.21741   1.89327  0.275695  
1 1 1 71 7  14 o 0.59005  0.268112  -0.263162    0.689838 -0.398317    0.972489 -0.126274    0.978698 0.681701 0.31255   0.726705 0.325552  
1 1 1 71 7  15 o 0.883045 0.323105  0.834232     0.745066 1.63448      1.05927  0.05064      1.04818  1.14268  0.388011  0.772844 0.342143  
1 1 1 71 7  16 o 1.97453  0.197101  4.15757      0.778366 3.4535       1.07755  4.9258       1.12557  1.6899   0.330612  2.09315  0.26887   
1 1 1 71 7  17 o 2.91847  0.157152  8.90846      0.917291 8.41344      1.21166  9.57309      1.40397  2.78102  0.217845  2.94294  0.238532  
1 1 1 71 7  18 o 0.888197 0.332766  0.890551     0.797842 1.23376      1.23691  0.646011     1.04408  1.01142  0.404535  0.863369 0.361058  
1 1 1 71 7  19 o 1.7243   0.247944  3.39154      0.855059 2.23683      1.29005  4.2963       1.14192  1.21413  0.42702   1.88433  0.303006  
1 1 1 71 7  20 o 0.482847 0.241423  -2.16274     0.987582 -3.92749     1.69816  -1.26086     1.21399  0.589035 0.297775  0.621687 0.302884  
1 1 1 71 7  21 o 1.49348  0.3313    2.96805      0.963459 1.38042      1.53099  4.00906      1.23972  0.978132 0.423888  1.68197  0.377796  
1 1 1 71 7  22 o 0.645513 0.30106   -0.158221    0.951376 1.78711      1.5899   -1.24332     1.18743  0.991187 0.430791  0.595906 0.292349  
1 1 1 71 7  23 o 0.648479 0.306067  -0.173628    1.05178  1.09827      1.53708  -1.29353     1.44232  0.852419 0.391708  0.629712 0.311202  
1 1 1 71 7  24 o 0.593724 0.28684   -0.6101      1.0311   -0.815648    1.52962  -0.438915    1.39592  0.67401  0.331033  0.681268 0.329928  
1 1 1 71 7  25 o 0.635723 0.304416  0.0287831    1.09769  1.17119      1.53417  -1.16949     1.57123  0.77012  0.366246  0.609143 0.304572  
1 1 1 71 8  0  o 1.15501  0.416236  1.85277      0.878363 1.85277      0.878363 1.85277      0.878363 1.26125  0.282456  ?        ?         
1 1 1 71 8  1  o 0.894396 0.292396  0.846624     0.601536 -0.0449326   0.836109 1.80325      0.866083 0.709642 0.310401  1.25818  0.337234  
1 1 1 71 8  2  o 3.52531  0.0965757 12.5302      0.680918 12.2094      0.921015 12.9168      1.01122  3.46723  0.132817  3.56237  0.141931  
1 1 1 71 8  3  o 1.9272   0.15852   3.79686      0.610999 3.9007       0.858918 3.69048      0.869342 1.93302  0.22217   1.87679  0.231603  
1 1 1 71 8  4  o 1.87333  0.170692  3.60283      0.639525 3.84064      0.900671 3.36102      0.908225 1.91182  0.235554  1.78109  0.254963  
1 1 1 71 8  5  o 1.91453  0.166778  3.76244      0.638602 1.92038      0.910832 5.54341      0.8956   1.29071  0.345783  2.31365  0.193547  
1 1 1 71 8  6  o 4.70476  0.0960363 22.3392      0.903656 20.8321      1.27185  23.8755      1.28416  4.51993  0.140694  4.8441   0.132549  
1 1 1 71 8  7  o 1.14327  0.289796  1.47393      0.663799 0.988992     0.996261 1.86109      0.890178 0.993769 0.371942  1.26527  0.34314   
1 1 1 71 8  8  o 3.19046  0.112501  10.3216      0.717858 9.22375      1.0883   11.1672      0.955098 2.98244  0.182452  3.30363  0.144553  
1 1 1 71 8  9  o 3.17671  0.117478  10.2532      0.746387 10.8071      1.09908  9.77918      1.01681  3.23357  0.169949  3.07874  0.165134  
1 1 1 71 8  10 o 0.590161 0.263     -0.14701     0.631334 -0.0975572   0.847476 -0.208677    0.946369 0.69236  0.306935  0.709055 0.318808  
1 1 1 71 8  11 o 1.01982  0.302287  1.18848      0.65996  1.65005      0.86886  0.558998     1.01466  1.17997  0.345974  0.878871 0.360637  
1 1 1 71 8  12 o 2.86486  0.129629  8.38754      0.74274  7.89532      0.987221 9.02956      1.12748  2.75243  0.179336  2.93477  0.192091  
1 1 1 71 8  13 o 2.30053  0.15061   5.46086      0.692966 4.97793      0.928443 6.06824      1.04123  2.16226  0.214693  2.38489  0.218297  
1 1 1 71 8  14 o 1.62885  0.21774   2.84588      0.709329 2.92767      0.955488 2.74546      1.05872  1.57813  0.313872  1.49199  0.358692  
1 1 1 71 8  15 o 0.554923 0.258039  -0.437019    0.692304 0.195913     0.924578 -1.24476     1.04448  0.756711 0.328692  0.595472 0.287858  
1 1 1 71 8  16 o 2.15147  0.180773  4.90727      0.777855 4.68938      1.10874  5.11846      1.09157  2.03092  0.272966  2.138    0.255277  
1 1 1 71 8  17 o 2.65011  0.159871  7.36913      0.847353 7.18764      1.23778  7.52919      1.16244  2.53975  0.243682  2.62276  0.221606  
1 1 1 71 8  18 o 1.44772  0.30025   2.56136      0.840194 2.33787      1.30351  2.72021      1.09894  1.24897  0.430195  1.41132  0.380592  
1 1 1 71 8  19 o 1.0818   0.361951  1.63099      0.921756 1.26831      1.42986  1.88889      1.20573  0.980664 0.416872  1.11671  0.41079   
1 1 1 71 8  20 o 1.26266  0.372402  2.30795      1.00381  1.50204      1.86329  2.6375       1.1915   1.00481  0.449692  1.30162  0.410396  
1 1 1 71 8  21 o 0.934236 0.359384  1.23323      0.94896  3.46059      1.55889  -0.0780915   1.19612  1.36265  0.470346  0.72562  0.338092  
1 1 1 71 8  22 o 0.735841 0.332542  0.427174     1.04281  0.236711     1.54142  0.587914     1.41605  0.773632 0.367534  0.799185 0.370626  
1 1 1 71 8  23 o 0.717336 0.328304  0.36593      1.06769  -0.285497    1.51353  1.01123      1.50639  0.707697 0.342931  0.832409 0.384587  
1 1 1 71 8  24 o 0.560312 0.275967  -1.04782     1.09671  -0.921456    1.53054  -1.18117     1.57226  0.649045 0.320714  0.639338 0.317709  
1 1 1 71 9  0  o 0.691847 0.401439  0.695337     0.891873 0.695337     0.891873 0.695337     0.891873 0.668025 0.354464  ?        ?         
1 1 1 71 9  1  f 1.6042   0.193309  2.66625      0.620213 2.75483      0.836025 2.55784      0.924923 1.60834  0.259904  1.50488  0.317226  
1 1 1 71 9  2  o 1.80901  0.165202  3.35991      0.597705 3.61406      0.812779 3.06059      0.882028 1.85827  0.218692  1.69443  0.260272  
1 1 1 71 9  3  o 1.84842  0.170022  3.51557      0.628544 3.20972      0.880626 3.83319      0.897402 1.73688  0.253508  1.90599  0.235417  
1 1 1 71 9  4  f 0.988413 0.282762  1.08853      0.587393 1.27435      0.802482 0.874057     0.862119 1.063    0.336981  0.939809 0.347135  
1 1 1 71 9  5  o 1.63501  0.193603  2.77961      0.633083 2.33886      0.903914 3.20397      0.886956 1.42838  0.32382   1.73078  0.25623   
1 1 1 71 9  6  o 3.50282  0.110326  12.4345      0.772906 10.8013      1.08825  14.0969      1.09792  3.23632  0.16813   3.70992  0.147972  
1 1 1 71 9  7  o 1.55526  0.203644  2.53387      0.633438 2.25947      0.985334 2.72715      0.826966 1.38098  0.354881  1.59075  0.259929  
1 1 1 71 9  8  o 2.62376  0.138416  7.04132      0.726338 6.6066       1.05024  7.43987      1.00561  2.50575  0.209565  2.67196  0.188179  
1 1 1 71 9  9  o 1.13547  0.286752  1.47053      0.651739 1.53367      0.87073  1.39008      0.982811 1.14053  0.349092  1.09445  0.373746  
1 1 1 71 9  10 o 0.561344 0.254955  -0.261678    0.62228  0.0765585    0.830962 -0.693564    0.938978 0.71901  0.311951  0.631325 0.295815  
1 1 1 71 9  11 o 1.78206  0.188675  3.32482      0.67246  3.48309      0.877986 3.10022      1.0459   1.79663  0.244342  1.62478  0.333324  
1 1 1 71 9  12 o 1.57467  0.208621  2.63208      0.657017 2.04358      0.876473 3.38695      0.992661 1.30623  0.334133  1.74322  0.284721  
1 1 1 71 9  13 o 1.7508   0.200974  3.25506      0.703729 3.20817      0.935672 3.31612      1.06781  1.69499  0.276012  1.66776  0.331911  
1 1 1 71 9  14 o 1.40304  0.286249  2.29168      0.775426 2.02579      1.08875  2.56541      1.10466  1.24489  0.392261  1.4097   0.382222  
1 1 1 71 9  15 o 1.43245  0.267966  2.36932      0.739251 2.17033      1.05944  2.55814      1.03201  1.28157  0.38364   1.41229  0.363344  
1 1 1 71 9  16 o 1.83341  0.208165  3.63999      0.763305 3.46336      1.10806  3.79952      1.053    1.66556  0.344336  1.80866  0.291099  
1 1 1 71 9  17 o 1.39751  0.298708  2.37532      0.810502 3.27546      1.23457  1.69348      1.07448  1.5431   0.397645  1.11216  0.389852  
1 1 1 71 9  18 o 0.718221 0.313496  0.251877     0.849172 0.222944     1.33415  0.27158      1.10098  0.817359 0.371788  0.779997 0.347463  
1 1 1 71 9  19 o 1.01774  0.371394  1.48595      0.983846 2.16915      1.67978  1.12921      1.21383  1.10976  0.460634  0.931906 0.389485  
1 1 1 71 9  20 o 2.88764  0.186005  9.16355      1.07423  11.6422      1.86682  7.93653      1.31349  3.02736  0.308325  2.5904   0.253529  
1 1 1 71 9  21 o 0.585684 0.28338   -0.76681     1.02094  -1.01812     1.50334  -0.551697    1.39087  0.673101 0.329812  0.688655 0.332779  
1 1 1 71 9  22 o 0.61414  0.296958  -0.593057    1.11428  0.541941     1.5781   -1.72156     1.57358  0.789088 0.373457  0.624735 0.311469  
1 1 1 71 9  23 o 0.814632 0.350978  0.974983     1.03804  -0.88353     1.51216  2.63124      1.42751  0.662542 0.326352  1.08788  0.434807  
1 1 1 71 9  24 o 0.638487 0.306105  0.0429808    1.11827  0.719903     1.53731  -0.717708    1.62966  0.727245 0.351132  0.638368 0.318084  
1 1 1 71 10 0  o 1.76239  0.266619  3.41327      0.87511  3.41327      0.87511  3.41327      0.87511  1.80866  0.174815  ?        ?         
1 1 1 71 10 1  o 0.737812 0.291201  0.404236     0.632822 1.03607      0.881343 -0.268169    0.909199 0.988408 0.352413  0.690078 0.311257  
1 1 1 71 10 2  o 1.25639  0.264196  1.75154      0.642876 1.77022      0.889641 1.73114      0.930032 1.23071  0.346688  1.21485  0.358505  
1 1 1 71 10 3  o 2.74323  0.118374  7.64192      0.649452 7.54715      0.866691 7.76328      0.980783 2.70902  0.159964  2.73796  0.179108  
1 1 1 71 10 4  o 1.17729  0.25887   1.54089      0.593013 1.95554      0.792094 1.01208      0.894508 1.30687  0.307777  0.979453 0.354453  
1 1 1 71 10 5  o 1.11182  0.272337  1.39079      0.601605 1.07181      0.818401 1.76581      0.887374 0.987627 0.340805  1.2244   0.346677  
1 1 1 71 10 6  o 1.58104  0.210943  2.63215      0.667018 3.83353      1.01036  1.70405      0.888043 1.87892  0.268868  1.20118  0.348999  
1 1 1 71 10 7  o 2.81432  0.123835  8.06896      0.697023 8.04371      0.948206 8.09864      1.02811  2.78746  0.170084  2.78869  0.184336  
1 1 1 71 10 8  o 1.52198  0.209348  2.44275      0.637246 1.58746      0.853126 3.52223      0.958443 1.15957  0.343685  1.79898  0.266386  
1 1 1 71 10 9  o 2.98912  0.120841  9.10198      0.722417 9.29094      0.972403 8.86923      1.07923  2.99784  0.162184  2.9146   0.185142  
1 1 1 71 10 10 o 1.14028  0.280108  1.48776      0.63504  1.63901      0.838185 1.28395      0.972977 1.17229  0.338562  1.05327  0.370807  
1 1 1 71 10 11 o 0.53368  0.250166  -0.542017    0.674113 -1.55421     0.881685 0.882291     1.04589  0.508833 0.250363  0.948498 0.374361  
1 1 1 71 10 12 o 1.91257  0.18251   3.84609      0.698124 4.5043       0.935307 3.01806      1.04905  2.04116  0.229112  1.57929  0.341786  
1 1 1 71 10 13 o 1.2688   0.309688  1.92923      0.780057 1.21947      1.1184   2.60159      1.08854  1.02079  0.39085   1.4246   0.376366  
1 1 1 71 10 14 o 0.797297 0.317541  0.580055     0.758783 -0.0415607   1.08132  1.18307      1.06502  0.75372  0.339731  0.997509 0.381562  
1 1 1 71 10 15 o 0.550591 0.258944  -0.571468    0.739993 -0.504459    1.06548  -0.633906    1.02851  0.680281 0.31779   0.651662 0.306128  
1 1 1 71 10 16 o 2.00431  0.199574  4.34569      0.800019 3.32828      1.17463  5.22598      1.09261  1.58639  0.375565  2.14758  0.254382  
1 1 1 71 10 17 o 1.37883  0.321542  2.42732      0.871241 3.10182      1.42255  2.02246      1.10213  1.39947  0.449175  1.18119  0.395783  
1 1 1 71 10 18 o 2.12118  0.23289   5.14787      0.988002 6.10544      1.60858  4.56779      1.25199  2.06161  0.404546  1.84916  0.351227  
1 1 1 71 10 19 o 1.33244  0.388657  2.65209      1.09923  2.16537      1.68953  3.00934      1.44748  1.09766  0.459184  1.31346  0.453241  
1 1 1 71 10 20 o 2.94813  0.201145  9.83956      1.186    11.696       1.87411  8.59947      1.53174  2.97675  0.314791  2.58954  0.295754  
1 1 1 71 10 21 o 1.07008  0.394677  2.07725      1.11362  1.42262      1.51335  2.85037      1.64463  0.89779  0.403439  1.09994  0.456126  
1 1 1 71 10 22 o 0.932875 0.368671  1.49147      1.01554  2.63062      1.58538  0.698788     1.32249  1.05901  0.444006  0.790044 0.363168  
1 1 1 71 10 23 o 0.588335 0.287699  -0.706684    1.129    -1.48579     1.48187  0.371207     1.74301  0.599022 0.299156  0.744276 0.362666  
1 1 1 71 11 0  o 4.52554  0.129736  20.7315      1.17206  20.7315      1.17206  20.7315      1.17206  4.5394   0.0913703 ?        ?         
1 1 1 71 11 1  o 2.98332  0.113899  9.03539      0.679594 9.15944      0.966259 8.91395      0.956005 2.98097  0.162071  2.94049  0.162559  
1 1 1 71 11 2  o 1.99876  0.160284  4.11611      0.640736 3.57771      0.942651 4.57848      0.873563 1.82097  0.258832  2.08655  0.209332  
1 1 1 71 11 3  o 1.67052  0.18793   2.90841      0.627881 3.19108      0.849724 2.56844      0.931866 1.72511  0.246281  1.49064  0.321726  
1 1 1 71 11 4  o 1.67502  0.188058  2.92638      0.630004 2.85864      0.808627 3.03102      1.00496  1.63122  0.247859  1.62277  0.321064  
1 1 1 71 11 5  o 4.03747  0.103986  16.5178      0.839677 17.1195      1.15005  15.8307      1.22883  4.08831  0.140651  3.92021  0.156729  
1 1 1 71 11 6  o 2.23393  0.147365  5.12536      0.658407 5.59875      0.888207 4.54796      0.980942 2.31367  0.191947  2.06115  0.23796   
1 1 1 71 11 7  o 2.61304  0.124741  6.96292      0.651908 7.28168      0.851233 6.51079      1.01381  2.65534  0.160287  2.48664  0.203851  
1 1 1 71 11 8  o 1.33384  0.248531  1.97128      0.638294 1.3373       0.834159 2.8669       0.991447 1.0682   0.34407   1.5648   0.327383  
1 1 1 71 11 9  o 2.04663  0.166152  4.34824      0.680104 4.32285      0.889238 4.38403      1.05566  2.01232  0.220948  1.99968  0.263957  
1 1 1 71 11 10 o 0.612141 0.268549  -0.0202768   0.629671 -0.110288    0.818096 0.110548     0.98628  0.67026  0.299021  0.768692 0.336671  
1 1 1 71 11 11 o 1.0139   0.312623  1.21508      0.696573 0.664362     0.89418  2.06514      1.11094  0.859475 0.343873  1.26379  0.395844  
1 1 1 71 11 12 o 0.906478 0.323742  0.927562     0.744047 0.878156     1.09006  0.970659     1.0181   0.936382 0.377579  0.948361 0.370702  
1 1 1 71 11 13 o 0.825692 0.320013  0.684208     0.755372 0.665156     1.08233  0.702301     1.05472  0.881469 0.368054  0.884598 0.365955  
1 1 1 71 11 14 o 0.743401 0.308619  0.390578     0.754219 0.779148     1.09607  0.0411228    1.03944  0.903792 0.373427  0.752518 0.336349  
1 1 1 71 11 15 o 1.23474  0.312366  1.88669      0.772362 1.00156      1.13236  2.65674      1.05618  0.946268 0.383483  1.41933  0.368783  
1 1 1 71 11 16 o 2.11915  0.207719  4.94174      0.880373 4.15565      1.3796   5.48175      1.14346  1.71188  0.408132  2.173    0.263105  
1 1 1 71 11 17 o 1.08752  0.375959  1.70723      0.996333 2.08222      1.42584  1.34942      1.3928   1.12765  0.439124  0.986789 0.415058  
1 1 1 71 11 18 o 0.561827 0.276734  -1.5002      1.09179  -1.5545      1.63304  -1.4563      1.46813  0.693136 0.340945  0.66519  0.325933  
1 1 1 71 11 19 o 1.3825   0.400308  2.98601      1.17031  3.73202      1.69653  2.30872      1.61651  1.36615  0.48876   1.10343  0.454396  
1 1 1 71 11 20 o 0.721454 0.323559  0.402136     0.969133 0.829653     1.55909  0.132928     1.23719  0.836636 0.38834   0.725501 0.339873  
1 1 1 71 11 21 o 0.616129 0.29342   -0.287181    0.987745 -1.31147     1.5166   0.467352     1.30167  0.635549 0.3153    0.75517  0.352183  
1 1 1 71 11 22 o 0.609613 0.291494  -0.32546     0.99736  -0.833223    1.56551  0.0214157    1.29393  0.667153 0.328572  0.697939 0.333318  
1 1 1 71 11 23 o 0.734258 0.336538  0.833259     1.12648  -0.239196    1.48986  2.26469      1.72124  0.653243 0.321739  0.86166  0.403061  
1 1 1 71 12 0  o 1.37057  0.367679  2.35538      0.869096 2.35538      0.869096 2.35538      0.869096 1.46627  0.22555   ?        ?         
1 1 1 71 12 1  o 0.981881 0.291579  1.09157      0.61365  1.19417      0.923921 1.01057      0.820857 1.03061  0.361485  0.963794 0.340459  
1 1 1 71 12 2  o 0.936214 0.291427  0.982633     0.60339  1.50417      0.822498 0.374873     0.887892 1.13216  0.337848  0.804078 0.334395  
1 1 1 71 12 3  o 2.4868   0.129425  6.31344      0.643708 6.39844      0.893537 6.22173      0.92813  2.47974  0.180167  2.43982  0.190205  
1 1 1 71 12 4  o 0.982362 0.314717  1.09395      0.698593 0.70082      0.945649 1.56625      1.03651  0.895867 0.355216  1.14557  0.383821  
1 1 1 71 12 5  o 1.72921  0.211797  3.16249      0.732484 3.37772      1.00524  2.91886      1.06952  1.74699  0.287707  1.56574  0.350359  
1 1 1 71 12 6  o 2.50902  0.139785  6.4574       0.701449 7.44894      0.912218 5.02297      1.09719  2.67833  0.170296  2.15045  0.255108  
1 1 1 71 12 7  o 2.91937  0.119354  8.68851      0.696876 9.02026      0.881535 8.13576      1.13789  2.95873  0.148972  2.77349  0.205137  
1 1 1 71 12 8  o 1.74817  0.189886  3.21454      0.663907 3.56532      0.816026 2.52776      1.14182  1.82383  0.223712  1.41407  0.39092   
1 1 1 71 12 9  o 0.543825 0.250024  -0.340784    0.627084 0.202612     0.750862 -1.59362     1.14012  0.70972  0.301904  0.602224 0.293423  
1 1 1 71 12 10 o 0.827108 0.316668  0.671114     0.734107 0.492103     1.04403  0.846174     1.03244  0.850503 0.358619  0.926228 0.369928  
1 1 1 71 12 11 o 0.820464 0.319615  0.651929     0.755497 0.883766     1.12995  0.464501     1.01598  0.940577 0.382364  0.831689 0.352377  
1 1 1 71 12 12 o 0.833997 0.322911  0.70621      0.76872  1.02837      1.10129  0.400104     1.07351  0.963027 0.382866  0.826915 0.356605  
1 1 1 71 12 13 o 1.94637  0.204616  4.09092      0.796519 4.27764      1.13814  3.91168      1.11511  1.9138   0.297351  1.79469  0.322386  
1 1 1 71 12 14 o 0.62841  0.287083  -0.243826    0.812274 -0.665568    1.10041  0.261083     1.20403  0.666506 0.314131  0.820753 0.364599  
1 1 1 71 12 15 o 1.08626  0.354656  1.58472      0.884979 2.11567      1.24716  1.04623      1.25599  1.18771  0.419645  0.946829 0.395987  
1 1 1 71 12 16 o 0.607016 0.288839  -0.639049    0.955379 0.434154     1.34385  -1.73576     1.35849  0.839458 0.378535  0.625032 0.307854  
1 1 1 71 12 17 o 0.750179 0.333107  0.300846     1.0036   -0.811516    1.43315  1.37123      1.40585  0.708866 0.341461  0.978617 0.414563  
1 1 1 71 12 18 o 1.38773  0.392845  2.9198       1.13957  3.21703      1.63995  2.64227      1.58467  1.28997  0.478312  1.18361  0.46252   
1 1 1 71 12 19 o 1.10617  0.370126  1.98634      0.963865 0.888701     1.4493   2.85685      1.29067  0.845079 0.385226  1.23661  0.427865  
1 1 1 71 12 20 o 0.6563   0.307895  -0.0425534   1.0287   -2.36068     1.69604  1.30656      1.29387  0.612289 0.308098  0.874552 0.384305  
1 1 1 71 12 21 o 0.570729 0.276284  -0.685107    0.975137 -1.66529     1.49086  0.0477582    1.28913  0.612136 0.304905  0.709149 0.336527  
1 1 1 71 12 22 o 1.31281  0.381469  3.19974      1.06093  4.26063      1.65396  2.45807      1.38292  1.17903  0.469056  0.961513 0.409387  
1 1 1 71 13 0  o 0.402562 0.283798  -0.716958    0.840628 -0.716958    0.840628 -0.716958    0.840628 0.315122 0.225781  ?        ?         
1 1 1 71 13 1  o 1.71434  0.188664  3.07511      0.646867 3.30316      0.947837 2.8763       0.885007 1.73484  0.273178  1.59388  0.288195  
1 1 1 71 13 2  o 3.70355  0.0996498 13.8948      0.738115 13.3881      1.03464  14.42        1.05332  3.61052  0.143281  3.74898  0.140481  
1 1 1 71 13 3  o 2.23654  0.148038  5.14756      0.662184 5.76087      0.918636 4.4842       0.955385 2.34089  0.196215  2.04454  0.233643  
1 1 1 71 13 4  o 0.714023 0.290898  0.326537     0.655451 0.124161     0.936218 0.521091     0.917946 0.760425 0.330537  0.840664 0.343664  
1 1 1 71 13 5  o 2.33935  0.140091  5.62198      0.655445 6.32554      0.873972 4.71763      0.990873 2.46159  0.177522  2.09178  0.23685   
1 1 1 71 13 6  o 3.24761  0.124333  10.7827      0.807573 10.0724      1.1665   11.4365      1.11913  3.09544  0.188423  3.31434  0.168832  
1 1 1 71 13 7  o 0.629871 0.275715  0.00287903   0.660702 -0.0783342   0.818627 0.154627     1.11901  0.675329 0.30026   0.812555 0.357226  
1 1 1 71 13 8  o 0.803613 0.32478   0.522        0.809105 -0.368883    1.14764  1.40243      1.14089  0.736755 0.33852   1.0768   0.399013  
1 1 1 71 13 9  o 0.708039 0.308602  0.110073     0.820382 0.459268     1.14078  -0.263949    1.18064  0.86177  0.36952   0.756475 0.345806  
1 1 1 71 13 10 o 1.00684  0.342189  1.23572      0.823854 1.35061      1.16601  1.12119      1.1642   1.04665  0.399567  0.993291 0.394041  
1 1 1 71 13 11 o 1.45689  0.298519  2.5291       0.839862 2.07826      1.1472   3.04982      1.23291  1.23709  0.403796  1.50567  0.401816  
1 1 1 71 13 12 o 0.627908 0.289353  -0.340379    0.845558 -0.093142    1.09323  -0.708509    1.33399  0.74524  0.338333  0.733036 0.345599  
1 1 1 71 13 13 o 1.79399  0.245022  3.61466      0.879136 4.46064      1.24878  2.7834       1.23787  1.88311  0.344381  1.403    0.413466  
1 1 1 71 13 14 o 0.666632 0.304548  -0.167123    0.914141 -1.10464     1.36873  0.587816     1.22824  0.685804 0.331172  0.861506 0.376525  
1 1 1 71 13 15 o 1.44061  0.357757  2.83399      1.02738  4.30516      1.54366  1.66412      1.37653  1.64477  0.454458  1.04968  0.423873  
1 1 1 71 13 16 o 0.968617 0.36006   1.30328      0.930469 3.18934      1.45443  -0.0034635   1.21062  1.36421  0.454662  0.748577 0.345442  
1 1 1 71 13 17 o 0.917483 0.366931  1.14614      1.01752  0.297619     1.70727  1.61358      1.26716  0.849055 0.398022  1.01643  0.408236  
1 1 1 71 13 18 o 1.59491  0.342767  3.64283      1.06194  3.7366       1.77767  3.5908       1.32419  1.26401  0.490709  1.43024  0.429056  
1 1 1 71 13 19 o 0.589368 0.281894  -0.443541    0.934438 -1.23097     1.44885  0.11729      1.22273  0.635038 0.313369  0.712401 0.334478  
1 1 1 71 13 20 o 0.91498  0.365438  1.40814      1.00753  3.30734      1.65833  0.296913     1.26849  1.16097  0.466716  0.736545 0.344885  
1 1 1 71 13 21 o 0.704424 0.319927  0.505394     0.979624 1.43452      1.50606  -0.176001    1.28975  0.839729 0.386657  0.661438 0.319769  
1 1 1 71 14 0  o 1.01618  0.428555  1.59724      0.873552 1.59724      0.873552 1.59724      0.873552 1.12337  0.317797  ?        ?         
1 1 1 71 14 1  o 2.38571  0.144249  5.85996      0.688272 5.38254      0.989621 6.30725      0.957883 2.24381  0.220522  2.44568  0.195832  
1 1 1 71 14 2  o 2.32768  0.143084  5.57744      0.666109 7.21         0.925689 3.82436      0.959248 2.62731  0.176167  1.86934  0.256574  
1 1 1 71 14 3  o 3.92765  0.111001  15.7044      0.871946 14.5887      1.17776  17.0576      1.2971   3.75278  0.156918  4.05521  0.15993   
1 1 1 71 14 4  o 2.43108  0.149886  6.10902      0.72877  5.86546      1.05003  6.33537      1.01228  2.33552  0.224795  2.44     0.207434  
1 1 1 71 14 5  o 0.894085 0.296819  0.902574     0.61987  0.762992     0.802536 1.10899      0.975943 0.87035  0.331715  0.991541 0.368719  
1 1 1 71 14 6  o 2.60528  0.141264  7.00208      0.736064 8.16748      1.02842  5.77811      1.05395  2.78321  0.184755  2.30992  0.228135  
1 1 1 71 14 7  o 1.90245  0.199678  3.8578       0.759753 4.34081      1.16048  3.49547      1.0051   1.94415  0.298454  1.75345  0.286606  
1 1 1 71 14 8  f 1.91824  0.210932  3.96628      0.809237 3.18179      1.25686  4.52176      1.05762  1.54826  0.402303  2.00746  0.263423  
1 1 1 71 14 9  o 2.24299  0.186136  5.35035      0.835001 5.00343      1.24936  5.63042      1.12253  2.07096  0.301639  2.24802  0.249671  
1 1 1 71 14 10 o 0.669588 0.29759   -0.0171752   0.803412 -0.160199    1.24483  0.0849305    1.0518   0.778093 0.355436  0.764177 0.340037  
1 1 1 71 14 11 o 1.09467  0.339458  1.5168       0.819719 1.73764      1.24119  1.34595      1.09167  1.12931  0.416641  1.03241  0.388763  
1 1 1 71 14 12 o 1.13894  0.332754  1.65985      0.805121 1.604        1.1974   1.70594      1.08771  1.08279  0.407268  1.11473  0.3921    
1 1 1 71 14 13 o 1.00081  0.343335  1.31212      0.829553 1.16552      1.29318  1.41463      1.08136  0.969981 0.403486  1.01964  0.38609   
1 1 1 71 14 14 o 0.916737 0.352915  1.08076      0.915458 0.741347     1.49377  1.28492      1.15852  0.900819 0.402908  0.972429 0.390436  
1 1 1 71 14 15 o 0.700783 0.315086  0.115984     0.924369 -0.293787    1.4091   0.425532     1.22472  0.753896 0.355364  0.810759 0.363668  
1 1 1 71 14 16 o 0.993879 0.370392  1.43701      0.985882 2.02934      1.56389  1.04637      1.27003  1.07746  0.445672  0.908305 0.389697  
1 1 1 71 14 17 o 0.600151 0.286558  -0.505748    0.955101 0.0459942    1.67355  -0.772253    1.16312  0.78921  0.377424  0.627348 0.303353  
1 1 1 71 14 18 o 1.28602  0.364026  2.61217      0.978542 1.51893      1.48505  3.45108      1.3009   0.912185 0.405104  1.36465  0.428535  
1 1 1 71 14 19 o 0.595372 0.284806  -0.412821    0.95469  0.177109     1.43574  -0.880404    1.27822  0.74038  0.352996  0.623866 0.305318  
1 1 1 71 14 20 o 1.16214  0.377648  2.38181      1.00344  1.43072      1.59469  3.00522      1.29108  0.860742 0.396922  1.19664  0.426548  
1 1 1 71 15 0  o 5.20247  0.149898  27.6059      1.55675  27.6059      1.55675  27.6059      1.55675  5.22834  0.105368  ?        ?         
1 1 1 71 15 1  o 2.4477   0.140852  6.1773       0.689527 5.14959      0.962912 7.25891      0.987843 2.1876   0.220084  2.62218  0.188363  
1 1 1 71 15 2  o 2.10763  0.162831  4.62806      0.686375 5.2077       0.999653 4.11107      0.944091 2.19349  0.227869  1.93845  0.243517  
1 1 1 71 15 3  o 1.2171   0.28312   1.72455      0.676795 1.37321      0.954682 2.07952      0.959604 1.06107  0.367901  1.28853  0.359122  
1 1 1 71 15 4  o 0.759213 0.290218  0.541932     0.615804 1.66051      0.810814 -0.982779    0.946634 1.16447  0.331922  0.588395 0.28198   
1 1 1 71 15 5  o 0.989181 0.317667  1.16643      0.711435 1.67707      1.04882  0.731221     0.968249 1.14231  0.386092  0.88271  0.35589   
1 1 1 71 15 6  o 1.48246  0.266399  2.52261      0.761134 3.48311      1.19246  1.86226      0.988744 1.65565  0.36958   1.19933  0.372999  
1 1 1 71 15 7  o 2.68576  0.152751  7.52115      0.820508 6.91314      1.23319  8.00412      1.0991   2.49357  0.247273  2.72981  0.201315  
1 1 1 71 15 8  o 1.65432  0.24054   3.03286      0.795862 2.07681      1.21726  3.7467       1.05182  1.22696  0.415942  1.79789  0.292514  
1 1 1 71 15 9  o 0.659644 0.295971  -0.080268    0.811712 0.163503     1.2051   -0.28271     1.0982   0.812768 0.36275   0.719774 0.330898  
1 1 1 71 15 10 f 1.41477  0.289921  2.38568      0.792091 1.32174      1.17061  3.2842       1.07576  1.02496  0.398142  1.61535  0.343304  
1 1 1 71 15 11 o 2.02952  0.205662  4.49947      0.834791 3.08367      1.25222  5.632        1.11997  1.47137  0.410289  2.22411  0.251779  
1 1 1 71 15 12 o 0.963283 0.34101   1.20414      0.823914 1.81821      1.23738  0.715035     1.10432  1.10719  0.414491  0.861368 0.366263  
1 1 1 71 15 13 o 0.667875 0.303937  -0.062542    0.893954 -0.740434    1.37381  0.435284     1.1773   0.709184 0.339826  0.812263 0.360715  
1 1 1 71 15 14 o 0.906303 0.352017  1.07694      0.915047 0.38093      1.33536  1.69307      1.2564   0.820979 0.373039  1.04598  0.411111  
1 1 1 71 15 15 o 1.15645  0.372196  1.9809       0.976251 2.23387      1.52269  1.80434      1.2721   1.11932  0.448361  1.05832  0.414231  
1 1 1 71 15 16 o 1.70519  0.317861  3.91691      1.04366  4.88617      1.67327  3.29974      1.3352   1.59764  0.482919  1.36481  0.434877  
1 1 1 71 15 17 o 0.766492 0.333928  0.676528     0.959652 -0.191862    1.66123  1.11146      1.17566  0.745091 0.360676  0.856985 0.371422  
1 1 1 71 15 18 o 0.721836 0.326074  0.457853     1.00157  -0.335374    1.60859  0.960073     1.27995  0.715356 0.348543  0.818656 0.369275  
1 1 1 71 15 19 o 0.658444 0.306581  0.0818762    0.981395 -0.855583    1.48787  0.803844     1.30571  0.656294 0.323268  0.791172 0.362498  
1 1 1 71 15 20 o 0.590793 0.284087  -0.205721    0.981334 -0.135272    1.6208   -0.246494    1.23303  0.671297 0.331305  0.623516 0.304039  
1 1 1 71 16 0  o 1.90282  0.271228  4.0411       0.971721 4.0411       0.971721 4.0411       0.971721 1.96037  0.178662  ?        ?         
1 1 1 71 16 1  o 3.62307  0.114234  13.4256      0.827757 15.2071      1.14248  11.457       1.20096  3.82555  0.149322  3.29009  0.182512  
1 1 1 71 16 2  o 2.12187  0.167946  4.72658      0.712716 4.51514      1.01406  4.93298      1.00191  2.01477  0.251657  2.11848  0.23647   
1 1 1 71 16 3  o 2.6207   0.14806   7.13929      0.776038 7.31779      1.17531  7.00131      1.03331  2.58726  0.227135  2.55325  0.202353  
1 1 1 71 16 4  o 2.08887  0.182826  4.6295       0.763799 5.2024       1.15615  4.18581      1.01745  2.14299  0.269751  1.92702  0.263996  
1 1 1 71 16 5  o 0.680674 0.292408  0.173102     0.716644 -0.150133    1.03431  0.471553     0.993871 0.722805 0.328398  0.8229   0.348581  
1 1 1 71 16 6  o 1.15844  0.319717  1.65741      0.764532 3.12075      1.1476   0.489685     1.02515  1.55191  0.373663  0.832135 0.353334  
1 1 1 71 16 7  o 0.935473 0.328149  1.04383      0.761388 1.79032      1.14173  0.445981     1.02176  1.15108  0.402022  0.820743 0.350746  
1 1 1 71 16 8  o 1.85344  0.220782  3.76189      0.81841  4.04456      1.21911  3.52999      1.10421  1.79064  0.352983  1.68267  0.340011  
1 1 1 71 16 9  o 0.706432 0.304984  0.222153     0.786864 0.0960491    1.13913  0.337234     1.0882   0.776916 0.349521  0.805408 0.353189  
1 1 1 71 16 10 o 1.44083  0.313257  2.59809      0.877479 4.03087      1.40666  1.6854       1.1227   1.67078  0.420873  1.09236  0.396922  
1 1 1 71 16 11 o 1.43729  0.303449  2.5868       0.845211 1.95467      1.3051   3.04345      1.10926  1.12583  0.424783  1.48302  0.373844  
1 1 1 71 16 12 o 0.811429 0.339714  0.661822     0.92587  1.59447      1.39237  -0.0774644   1.23965  1.02806  0.42226   0.749296 0.347215  
1 1 1 71 16 13 o 0.952524 0.357036  1.24719      0.91868  1.06018      1.39361  1.39091      1.22171  0.926099 0.402925  0.98124  0.39805   
1 1 1 71 16 14 o 1.81892  0.264615  3.9747       0.962629 3.57256      1.35125  4.3891       1.37171  1.49018  0.429706  1.71034  0.406454  
1 1 1 71 16 15 o 1.21273  0.369713  2.27891      0.977945 0.856721     1.43805  3.50248      1.33386  0.85636  0.388572  1.42026  0.431543  
1 1 1 71 16 16 o 0.978797 0.370873  1.61092      0.998355 -0.329368    1.63212  2.77097      1.26199  0.732319 0.355253  1.20654  0.422543  
1 1 1 71 16 17 o 1.10538  0.370919  2.0923       0.968    0.299232     1.53287  3.28166      1.24842  0.758435 0.362348  1.31918  0.420525  
1 1 1 71 16 18 o 1.00164  0.370648  1.75942      0.98376  0.17601      1.49888  2.95767      1.3039   0.742916 0.35574   1.20229  0.428651  
1 1 1 71 16 19 o 0.661882 0.308685  0.313527     1.00008  0.55328      1.51963  0.130361     1.32825  0.723155 0.349145  0.673796 0.32553   
1 1 1 71 17 0  o 1.95445  0.243654  4.19229      0.91907  4.19229      0.91907  4.19229      0.91907  2.00333  0.164764  ?        ?         
1 1 1 71 17 1  o 2.58668  0.14912   6.96926      0.771448 6.76737      1.20154  7.11085      1.00624  2.469    0.243325  2.57681  0.19525   
1 1 1 71 17 2  o 1.39083  0.270289  2.2476       0.725019 3.27886      1.11829  1.4998       0.952269 1.60979  0.356783  1.08239  0.367893  
1 1 1 71 17 3  o 4.28638  0.113149  18.8182      0.970001 19.6423      1.49992  18.2258      1.27173  4.31104  0.173962  4.17921  0.15215   
1 1 1 71 17 4  o 1.0487   0.326285  1.3648       0.756492 3.41238      1.16963  -0.107759    0.99189  1.62939  0.367638  0.714234 0.323467  
1 1 1 71 17 5  o 2.09444  0.191916  4.69896      0.803912 4.15         1.20289  5.14207      1.08071  1.82802  0.341689  2.13964  0.252543  
1 1 1 71 17 6  o 1.58964  0.255141  2.851        0.811164 1.11668      1.23969  4.14949      1.07267  0.98475  0.40044   1.89238  0.283419  
1 1 1 71 17 7  o 0.494009 0.240728  -1.09999     0.768285 -1.68532     1.14149  -0.615257    1.03879  0.579346 0.284998  0.650828 0.306294  
1 1 1 71 17 8  o 2.08345  0.197284  4.7212       0.822064 3.76473      1.19486  5.58085      1.13278  1.68779  0.364333  2.20423  0.256955  
1 1 1 71 17 9  o 1.69716  0.23592   3.26451      0.80079  2.36619      1.17706  4.03855      1.09262  1.26183  0.408945  1.82344  0.299604  
1 1 1 71 17 10 f 1.79273  0.246991  3.71493      0.885578 4.25738      1.2688   3.19965      1.23661  1.76457  0.371233  1.47048  0.406957  
1 1 1 71 17 11 o 0.839043 0.33855   0.816821     0.877165 1.12808      1.30737  0.561994     1.18294  0.936112 0.398295  0.828013 0.365414  
1 1 1 71 17 12 o 0.65995  0.305214  -0.184757    0.951853 -0.0400598   1.32166  -0.340689    1.372    0.763718 0.355668  0.74005  0.349369  
1 1 1 71 17 13 o 0.512123 0.250553  -1.14427     0.859026 -2.00493     1.19869  -0.235595    1.23168  0.554367 0.275749  0.716427 0.336247  
1 1 1 71 17 14 o 1.14885  0.372001  2.09311      0.974152 3.12984      1.47881  1.29835      1.29478  1.2538   0.455548  0.913352 0.392724  
1 1 1 71 17 15 o 1.0972   0.364215  1.96031      0.933325 2.10421      1.47542  1.86431      1.20508  1.00861  0.425854  1.00393  0.400069  
1 1 1 71 17 16 o 0.577245 0.27786   -0.536186    0.944812 -0.624592    1.48574  -0.476161    1.22424  0.676157 0.330502  0.644888 0.311729  
1 1 1 71 17 17 o 0.612947 0.28963   -0.23755     0.945755 0.3357       1.57296  -0.562126    1.18359  0.766326 0.366342  0.630095 0.304911  
1 1 1 71 17 18 o 0.661461 0.307736  0.273035     0.986265 -1.25945     1.56152  1.29013      1.27213  0.615519 0.307351  0.813131 0.36739   
1 1 1 71 18 0  o 0.71152  0.42848   0.814355     1.08061  0.814355     1.08061  0.814355     1.08061  0.693568 0.383322  ?        ?         
1 1 1 71 18 1  o 1.51182  0.287436  2.70475      0.837738 1.82996      1.19833  3.54098      1.17161  1.15284  0.410941  1.66083  0.362731  
1 1 1 71 18 2  o 1.97553  0.198664  4.20704      0.784933 4.37203      1.26269  4.10312      1.00208  1.86205  0.351889  1.89886  0.263862  
1 1 1 71 18 3  o 2.76904  0.150037  8.0166       0.830918 8.18139      1.32802  7.91059      1.06517  2.69957  0.245968  2.70844  0.19664   
1 1 1 71 18 4  o 1.27229  0.308541  2.00077      0.778138 0.549761     1.20218  3.04703      1.02083  0.864345 0.375114  1.55106  0.338442  
1 1 1 71 18 5  o 2.21424  0.18126   5.25479      0.802708 5.28496      1.22947  5.23237      1.05974  2.11159  0.291125  2.14909  0.246556  
1 1 1 71 18 6  o 2.34167  0.185942  5.91748      0.87083  5.52571      1.36251  6.18804      1.13228  2.11278  0.322445  2.33553  0.242403  
1 1 1 71 18 7  o 2.23732  0.197533  5.47472      0.883888 3.07985      1.38393  7.12463      1.14869  1.40091  0.442373  2.51676  0.228208  
1 1 1 71 18 8  o 0.555237 0.266017  -0.749701    0.841054 -0.327667    1.26475  -1.0843      1.12614  0.729604 0.342125  0.614205 0.297256  
1 1 1 71 18 9  o 1.80065  0.242318  3.74954      0.872659 4.70091      1.25707  2.8646       1.21239  1.88176  0.347041  1.36975  0.410472  
1 1 1 71 18 10 o 0.534181 0.258722  -0.952281    0.859241 -0.568629    1.25045  -1.29547     1.18268  0.69146  0.329615  0.605706 0.295789  
1 1 1 71 18 11 o 0.557955 0.26824   -0.773203    0.873753 -0.852348    1.34472  -0.715373    1.14947  0.682607 0.329289  0.648597 0.310805  
1 1 1 71 18 12 o 1.48781  0.320623  2.94465      0.926811 3.96758      1.3102   1.92011      1.31122  1.60869  0.40676   1.0674   0.419839  
1 1 1 71 18 13 o 1.79755  0.259642  4.00905      0.93344  3.56273      1.29016  4.49932      1.35219  1.43776  0.421599  1.66733  0.408219  
1 1 1 71 18 14 o 0.710982 0.319397  0.384388     0.947852 -0.910308    1.4473   1.35675      1.25426  0.660143 0.323509  0.896263 0.385973  
1 1 1 71 18 15 o 0.601431 0.286266  -0.313205    0.939048 0.77178      1.62406  -0.858129    1.15095  0.808866 0.381343  0.59663  0.291458  
1 1 1 71 18 16 o 0.548079 0.267108  -0.836101    0.946934 -1.12377     1.52072  -0.653924    1.21019  0.649125 0.320495  0.627818 0.30498   
1 1 1 71 18 17 f 0.841642 0.349612  1.27591      0.96879  2.6879       1.57852  0.422656     1.22707  0.981882 0.428013  0.706803 0.332712  
1 1 1 71 19 0  o 0.896852 0.487954  1.56513      1.21924  1.56513      1.21924  1.56513      1.21924  0.970475 0.427116  ?        ?         
1 1 1 71 19 1  o 2.6908   0.177131  7.75722      0.953247 6.87492      1.32372  8.70763      1.37387  2.42462  0.272976  2.76307  0.248612  
1 1 1 71 19 2  o 1.16445  0.344682  1.7967       0.858461 1.07585      1.26438  2.41319      1.16928  0.953971 0.398032  1.28629  0.406667  
1 1 1 71 19 3  o 0.921107 0.3475    1.05358      0.873318 1.18348      1.33767  0.957074     1.15293  0.975635 0.408388  0.918382 0.381435  
1 1 1 71 19 4  f 2.82797  0.174251  8.58118      0.98555  7.57141      1.61741  9.17752      1.24295  2.45003  0.33008   2.87246  0.216356  
1 1 1 71 19 5  o 1.54496  0.285984  2.91403      0.850433 1.72855      1.29459  3.81394      1.12794  1.07322  0.418323  1.7092   0.342043  
1 1 1 71 19 6  o 1.85616  0.239942  3.95509      0.89074  2.93732      1.32125  4.80308      1.20602  1.36244  0.432444  1.96803  0.306402  
1 1 1 71 19 7  o 1.32783  0.337908  2.37319      0.899849 1.44018      1.418    3.00224      1.16433  0.997337 0.419112  1.42838  0.394699  
1 1 1 71 19 8  o 1.11291  0.346299  1.72553      0.852108 2.34634      1.28566  1.23919      1.13794  1.19811  0.425795  0.950443 0.384735  
1 1 1 71 19 9  o 1.45985  0.311641  2.75743      0.883138 4.71208      1.35583  1.31698      1.16391  1.82008  0.38438   0.963832 0.389534  
1 1 1 71 19 10 o 1.28442  0.350021  2.31844      0.923482 3.38598      1.44152  1.57534      1.20269  1.39937  0.452463  1.01141  0.400732  
1 1 1 71 19 11 o 0.987972 0.358723  1.46838      0.916855 2.20119      1.41662  0.940148     1.20273  1.09153  0.434145  0.863625 0.375007  
1 1 1 71 19 12 o 1.21512  0.357856  2.28111      0.92758  1.77799      1.31183  2.78418      1.31176  0.984501 0.407758  1.20704  0.429982  
1 1 1 71 19 13 o 1.96151  0.241106  4.71474      0.945864 4.3074       1.31417  5.15256      1.36244  1.59447  0.4099    1.79781  0.389882  
1 1 1 71 19 14 o 0.750012 0.328632  0.653295     0.940582 -0.00419003  1.48538  1.0934       1.21527  0.728016 0.349936  0.838832 0.370257  
1 1 1 71 19 15 o 1.3017   0.366684  2.74625      0.995228 3.74213      1.5692   2.0761       1.28725  1.26731  0.468286  1.00794  0.408707  
1 1 1 71 19 16 o 1.47141  0.33966   3.40635      0.980033 1.90669      1.48062  4.57571      1.30744  0.886618 0.3987    1.55449  0.4133    
1 1 1 71 20 0  o 1.84231  0.422048  4.46628      1.3524   4.46628      1.3524   4.46628      1.3524   1.99862  0.247829  ?        ?         
1 1 1 71 20 1  o 2.35956  0.207782  6.18317      0.980548 5.19505      1.38332  7.18102      1.39011  1.96202  0.366139  2.43916  0.284958  
1 1 1 71 20 2  o 2.70033  0.189299  7.9671       1.02234  8.67408      1.43065  7.22935      1.46145  2.71263  0.263702  2.42     0.301953  
1 1 1 71 20 3  o 0.97967  0.355068  1.31098      0.89791  1.33888      1.24666  1.28089      1.29435  0.980763 0.400644  0.970444 0.403673  
1 1 1 71 20 4  o 0.580984 0.27929   -0.818435    0.946776 -1.54387     1.27281  0.0801629    1.41659  0.613245 0.301439  0.799681 0.370795  
1 1 1 71 20 5  o 0.808831 0.339267  0.664595     0.926321 -0.478971    1.26142  2.00311      1.36471  0.704461 0.333634  1.10581  0.429815  
1 1 1 71 20 6  o 1.09478  0.348939  1.68045      0.859589 1.13417      1.24488  2.17825      1.18837  0.931419 0.392114  1.17344  0.41012   
1 1 1 71 20 7  o 0.609672 0.285431  -0.351427    0.867537 -0.46506     1.3451   -0.270491    1.1352   0.720792 0.342858  0.695323 0.325704  
1 1 1 71 20 8  o 1.56674  0.299292  3.12436      0.904271 4.90151      1.38561  1.80592      1.19346  1.84357  0.388012  1.06659  0.405097  
1 1 1 71 20 9  o 1.61099  0.305034  3.37285      0.947096 3.64735      1.45173  3.16945      1.24966  1.43714  0.452976  1.39807  0.416283  
1 1 1 71 20 10 o 1.95267  0.261955  4.74088      1.02302  3.40335      1.5016   5.89947      1.39755  1.29614  0.460212  2.0482   0.341164  
1 1 1 71 20 11 o 1.00199  0.360848  1.63276      0.926085 0.996649     1.37186  2.16533      1.25526  0.846278 0.381988  1.06438  0.412526  
1 1 1 71 20 12 o 0.640325 0.29827   -0.0188652   0.93016  -0.477773    1.28526  0.485829     1.34786  0.65943  0.31887   0.765969 0.357668  
1 1 1 71 20 13 o 2.49785  0.215734  7.39835      1.07775  5.99103      1.68793  8.367        1.40036  1.7472   0.471913  2.53279  0.276447  
1 1 1 71 20 14 o 1.68794  0.307994  3.9765       1.00118  4.28603      1.54775  3.7538       1.31285  1.3941   0.46902   1.40307  0.42849   
1 1 1 71 20 15 o 0.576577 0.277661  -0.355225    0.946022 -0.801427    1.4655   -0.0364602   1.23867  0.627767 0.311074  0.656035 0.316364  
1 1 1 71 21 0  o 0.766836 0.469941  1.15367      1.35097  1.15367      1.35097  1.15367      1.35097  0.776458 0.428818  ?        ?         
1 1 1 71 21 1  o 2.43475  0.199327  6.57545      0.970622 7.7107       1.33984  5.3217       1.40803  2.54665  0.263058  1.95974  0.372683  
1 1 1 71 21 2  o 0.689652 0.318486  -0.128426    1.03155  0.526586     1.41409  -0.873428    1.5081   0.849861 0.385487  0.718202 0.346964  
1 1 1 71 21 3  o 0.816703 0.342427  0.701473     0.94301  -0.0701581   1.23804  1.76784      1.4554   0.744137 0.345655  1.047    0.431158  
1 1 1 71 21 4  f 0.880268 0.353453  0.981096     0.949513 1.20362      1.29488  0.722284     1.39649  0.942138 0.398425  0.871759 0.389748  
1 1 1 71 21 5  f 0.775893 0.333262  0.534636     0.930639 1.5887       1.25957  -0.732547    1.38105  1.01413  0.407138  0.70048  0.336876  
1 1 1 71 21 6  o 1.14383  0.371826  1.94913      0.972739 1.2801       1.33207  2.71351      1.42383  0.948021 0.402661  1.23514  0.447172  
1 1 1 71 21 7  o 0.610246 0.291039  -0.538109    0.977874 0.354172     1.42533  -1.33158     1.34409  0.806688 0.373235  0.632791 0.310634  
1 1 1 71 21 8  o 1.7746   0.273941  3.97751      0.972275 3.29448      1.45084  4.53431      1.30994  1.29561  0.453121  1.7133   0.390793  
1 1 1 71 21 9  o 0.719088 0.318174  0.438349     0.904832 0.805472     1.37939  0.16107      1.19878  0.82519  0.376068  0.72429  0.337857  
1 1 1 71 21 10 o 1.84574  0.263581  4.3229       0.973007 3.59818      1.38595  5.02727      1.36634  1.35233  0.443828  1.76151  0.397288  
1 1 1 71 21 11 o 0.856776 0.345095  1.15826      0.909145 -0.0609803   1.31238  2.28322      1.26063  0.69902  0.334276  1.05824  0.412734  
1 1 1 71 21 12 o 1.2898   0.359803  2.62341      0.962816 2.86163      1.36488  2.38745      1.3584   1.17111  0.435935  1.0686   0.425097  
1 1 1 71 21 13 o 0.756763 0.333772  0.721816     0.984951 0.269847     1.58552  1.00585      1.25689  0.749341 0.360515  0.811702 0.366047  
1 1 1 71 21 14 o 0.551557 0.269003  -0.598315    0.966933 -1.67532     1.53237  0.11422      1.2464   0.581325 0.292519  0.662536 0.31897   
1 1 1 71 22 0  f 0.353864 0.264502  -3.86844     1.42938  -3.86844     1.42938  -3.86844     1.42938  ?        ?         ?        ?         
1 1 1 71 22 1  o 1.79802  0.286169  4.00357      1.02907  5.52516      1.39982  2.21415      1.51802  1.99496  0.36437   1.11054  0.446497  
1 1 1 71 22 2  o 1.44154  0.350578  2.89875      1.00243  2.4713       1.38609  3.36747      1.45147  1.18503  0.439669  1.38449  0.454198  
1 1 1 71 22 3  o 1.38303  0.354997  2.72451      0.986825 2.27166      1.32917  3.28071      1.47305  1.14061  0.429078  1.34178  0.457562  
1 1 1 71 22 4  f 0.922985 0.362132  1.24288      0.973438 2.35645      1.32475  -0.0640567   1.43517  1.14676  0.42896   0.759396 0.358155  
1 1 1 71 22 5  o 0.87235  0.352664  1.08453      0.954392 1.4604       1.276    0.607242     1.43789  0.94609  0.397575  0.823076 0.37849   
1 1 1 71 22 6  o 0.902479 0.360045  1.25881      0.977025 0.885715     1.31138  1.72428      1.46475  0.838071 0.376107  0.965209 0.4164    
1 1 1 71 22 7  o 2.17487  0.264765  5.96284      1.15166  5.08347      1.59792  6.91336      1.66131  1.63305  0.466119  2.0529   0.419125  
1 1 1 71 22 8  o 0.650702 0.30535   -0.0982584   1.01423  0.265528     1.39422  -0.507149    1.47812  0.752141 0.354228  0.693255 0.336858  
1 1 1 71 22 9  f 1.03602  0.372051  1.87198      0.983868 1.26453      1.31495  2.64456      1.48294  0.864136 0.382804  1.07718  0.437989  
1 1 1 71 22 10 o 1.22156  0.368657  2.45013      0.975649 2.42009      1.32219  2.48604      1.4456   1.07955  0.422355  1.06171  0.432191  
1 1 1 71 22 11 o 0.673633 0.306711  0.24309      0.912846 -0.661397    1.305    1.10968      1.27737  0.644395 0.313962  0.839351 0.374072  
1 1 1 71 22 12 o 0.661061 0.309136  0.150705     1.01158  1.13065      1.56272  -0.55607     1.32715  0.812482 0.380863  0.639621 0.312579  
1 1 1 71 22 13 o 0.640452 0.299006  0.256358     0.941483 0.428538     1.46305  0.134665     1.22999  0.700246 0.338883  0.657054 0.316461  
1 1 1 71 23 0  o 0.987608 0.542613  2.41226      1.51954  2.41226      1.51954  2.41226      1.51954  1.16791  0.472623  ?        ?         
1 1 1 71 23 1  o 0.770442 0.340138  0.616763     1.0263   0.515753     1.43087  0.723786     1.47285  0.799305 0.371403  0.826851 0.381356  
1 1 1 71 23 2  f 0.872281 0.361317  1.14426      1.0302   2.44441      1.52701  0.058124     1.39568  1.07718  0.442281  0.74392  0.35167   
1 1 1 71 23 3  o 0.753577 0.336857  0.527577     1.04281  0.569735     1.53994  0.49187      1.41722  0.808931 0.378997  0.790452 0.36819   
1 1 1 71 23 4  o 1.12946  0.387357  2.20168      1.05585  0.193858     1.46959  4.34392      1.51799  0.760127 0.360052  1.489    0.461984  
1 1 1 71 23 5  o 0.721376 0.325495  0.407502     0.995214 0.868886     1.40303  -0.0597334   1.4119   0.824809 0.377013  0.724041 0.346356  
1 1 1 71 23 6  o 1.17666  0.3875    2.41781      1.05648  1.41412      1.5265   3.34056      1.46366  0.887569 0.40166   1.24201  0.453016  
1 1 1 71 23 7  o 0.82553  0.360603  1.03687      1.12527  -0.0245231   1.6347   1.99276      1.55133  0.739088 0.357773  0.953966 0.419995  
1 1 1 71 23 8  o 1.03133  0.387061  1.94141      1.08036  2.22196      1.5171   1.65277      1.53884  1.00141  0.427655  0.914618 0.409014  
1 1 1 71 23 9  o 1.2368   0.377448  2.56963      1.01894  1.94116      1.36706  3.35519      1.52839  0.974993 0.410703  1.21053  0.458822  
1 1 1 71 23 10 o 0.618574 0.296817  -0.345977    1.05722  -0.46233     1.37761  -0.179272    1.64898  0.664076 0.323377  0.718329 0.350511  
1 1 1 71 23 11 o 0.745125 0.332729  0.829029     1.01503  -0.925166    1.44732  2.52694      1.42391  0.61593  0.305905  0.977483 0.415776  
1 1 1 71 24 0  o 0.472861 0.342243  -1.27804     1.5106   -1.27804     1.5106   -1.27804     1.5106   0.388086 0.281264  ?        ?         
1 1 1 71 24 1  o 0.672545 0.315004  0.0271046    1.06089  -1.15573     1.55422  1.05898      1.45167  0.655712 0.32381   0.841962 0.384286  
1 1 1 71 24 2  o 0.733651 0.332163  0.485337     1.04517  0.474227     1.54263  0.494765     1.42104  0.779886 0.369166  0.772065 0.362145  
1 1 1 71 24 3  o 1.64102  0.346701  4.02555      1.10268  4.70987      1.66424  3.49004      1.47221  1.43947  0.486351  1.25984  0.454846  
1 1 1 71 24 4  o 1.67339  0.347081  4.18534      1.12265  4.60326      1.59448  3.77447      1.58095  1.45506  0.476048  1.27026  0.469904  
1 1 1 71 24 5  o 0.807782 0.354609  0.913561     1.09938  -0.102988    1.62519  1.77119      1.49276  0.735967 0.356343  0.93362  0.411451  
1 1 1 71 24 6  o 0.67184  0.313814  0.0482646    1.03865  -0.577768    1.41949  0.769673     1.52379  0.675311 0.328742  0.811117 0.379349  
1 1 1 71 24 7  o 0.891111 0.368802  1.35904      1.07189  0.79403      1.45815  2.02332      1.58108  0.803447 0.373943  0.956812 0.422328  
1 1 1 71 24 8  o 0.61296  0.296262  -0.491295    1.10458  0.510507     1.54444  -1.5403      1.58041  0.765588 0.365276  0.624867 0.31162   
1 1 1 71 24 9  f 1.00008  0.381068  2.03445      1.0589   1.49206      1.3564   2.88083      1.69439  0.84048  0.379576  0.98089  0.43453   
1 1 1 71 24 10 o 0.58704  0.283433  -0.272479    1.00157  0.477565     1.35715  -1.16956     1.48423  0.699375 0.33576   0.596223 0.29799   
1 1 1 71 25 0  o 0.951725 0.549196  2.50429      1.65437  2.50429      1.65437  2.50429      1.65437  1.1285   0.497527  ?        ?         
1 1 1 71 25 1  o 0.681754 0.31961   0.0365333    1.10135  0.437127     1.56393  -0.357592    1.55125  0.781174 0.370686  0.711743 0.345605  
1 1 1 71 25 2  o 0.496209 0.248104  -1.9577      1.05817  -2.62734     1.5189   -1.32618     1.47503  0.570076 0.287503  0.631529 0.31273   
1 1 1 71 25 3  f 0.73351  0.335332  0.438592     1.11042  -0.424918    1.57352  1.29522      1.56724  0.705392 0.343873  0.866833 0.397157  
1 1 1 71 25 4  o 1.32331  0.406815  3.18263      1.18074  2.2809       1.69129  4.03998      1.64916  0.9736   0.432356  1.28606  0.479096  
1 1 1 71 25 5  o 0.754327 0.343539  0.636372     1.1468   -0.345864    1.61837  1.62701      1.62528  0.704861 0.344628  0.885546 0.405193  
1 1 1 71 25 6  o 0.603829 0.2924    -0.490225    1.09551  0.790249     1.51428  -1.89634     1.58683  0.775509 0.366463  0.597877 0.300828  
1 1 1 71 25 7  o 0.772421 0.342375  1.0034       1.05394  1.30347      1.42505  0.641093     1.56588  0.800608 0.371484  0.736128 0.355164  
1 1 1 71 25 8  o 0.65541  0.310148  0.233523     1.08807  -0.0677506   1.42865  0.64964      1.67901  0.659552 0.322783  0.726068 0.354179  
1 1 1 71 26 0  o 0.50488  0.364456  -0.903437    1.65636  -0.903437    1.65636  -0.903437    1.65636  0.428732 0.309082  ?        ?         
1 1 1 71 26 1  o 1.20937  0.403562  2.89307      1.14588  1.49108      1.59408  4.39209      1.64831  0.842154 0.391582  1.28268  0.478747  
1 1 1 71 26 2  o 0.86354  0.36358   1.42037      1.0705   2.27179      1.53496  0.614083     1.49372  0.936286 0.414327  0.746947 0.357058  
1 1 1 71 26 3  o 0.470165 0.238969  -2.66329     1.16305  -3.6944      1.67764  -1.70914     1.61381  ?        ?         0.598358 0.301084  
1 1 1 71 26 4  o 1.60859  0.388541  4.68761      1.23777  4.93732      1.69578  4.40286      1.81083  1.27461  0.483239  1.11671  0.471652  
1 1 1 71 26 5  o 0.660666 0.313832  0.246518     1.12361  -0.114081    1.49124  0.720115     1.70899  0.661844 0.325635  0.731764 0.357024  
1 1 1 72 0  0  o 3.89633  0.190908  15.4726      1.47954  15.4726      1.47954  15.4726      1.47954  3.91504  0.133967  ?        ?         
1 1 1 72 0  1  o 1.82019  0.270403  3.59476      0.919398 3.59476      0.919398 3.59476      0.919398 1.86142  0.178391  ?        ?         
1 1 1 72 0  2  o 0.514791 0.338835  -0.0362253   0.852343 -0.0362253   0.852343 -0.0362253   0.852343 0.433323 0.285105  ?        ?         
1 1 1 72 0  3  o 1.30211  0.359384  2.09487      0.808314 2.09487      0.808314 2.09487      0.808314 1.38647  0.223671  ?        ?         
1 1 1 72 0  4  o 1.40603  0.325527  2.32216      0.795415 2.32216      0.795415 2.32216      0.795415 1.47601  0.198521  ?        ?         
1 1 1 72 0  5  o 1.1847   0.387105  1.84686      0.809573 1.84686      0.809573 1.84686      0.809573 1.28054  0.251388  ?        ?         
1 1 1 72 0  6  o 1.61281  0.287243  2.90145      0.838672 2.90145      0.838672 2.90145      0.838672 1.66416  0.183246  ?        ?         
1 1 1 72 0  7  o 2.0946   0.220449  4.60734      0.900099 4.60734      0.900099 4.60734      0.900099 2.12149  0.15179   ?        ?         
1 1 1 72 0  8  o 0.734563 0.401117  0.829081     0.826321 0.829081     0.826321 0.829081     0.826321 0.735497 0.350301  ?        ?         
1 1 1 72 0  9  o 2.38484  0.198287  5.88727      0.930723 5.88727      0.930723 5.88727      0.930723 2.40605  0.137797  ?        ?         
1 1 1 72 0  10 o 1.30612  0.400781  2.20484      0.913114 2.20484      0.913114 2.20484      0.913114 1.4075   0.254177  ?        ?         
1 1 1 72 0  11 o 0.643133 0.384852  0.528558     0.861843 0.528558     0.861843 0.528558     0.861843 0.601061 0.338189  ?        ?         
1 1 1 72 0  12 o 2.82014  0.17628   8.15274      0.985367 8.15274      0.985367 8.15274      0.985367 2.83794  0.123288  ?        ?         
1 1 1 72 0  13 o 3.44081  0.157169  12.047       1.07644  12.047       1.07644  12.047       1.07644  3.45594  0.110378  ?        ?         
1 1 1 72 0  14 o 3.73523  0.16951   14.244       1.26038  14.244       1.26038  14.244       1.26038  3.75488  0.118946  ?        ?         
1 1 1 72 0  15 o 1.41757  0.396406  2.5616       0.971466 2.5616       0.971466 2.5616       0.971466 1.52352  0.24438   ?        ?         
1 1 1 72 0  16 o 2.02212  0.259595  4.44417      1.01105  4.44417      1.01105  4.44417      1.01105  2.06739  0.175829  ?        ?         
1 1 1 72 0  17 o 0.452022 0.31414   -0.56508     0.943371 -0.56508     0.943371 -0.56508     0.943371 0.361408 0.254211  ?        ?         
1 1 1 72 0  18 o 0.513115 0.345575  -0.183813    0.982407 -0.183813    0.982407 -0.183813    0.982407 0.428206 0.289066  ?        ?         
1 1 1 72 0  19 f 0.889411 0.469362  1.39359      1.10111  1.39359      1.10111  1.39359      1.10111  0.944763 0.405307  ?        ?         
1 1 1 72 0  20 o 1.34638  0.503522  2.80209      1.25925  2.80209      1.25925  2.80209      1.25925  1.52039  0.335151  ?        ?         
1 1 1 72 0  21 o 2.43436  0.271285  6.54166      1.28342  6.54166      1.28342  6.54166      1.28342  2.49842  0.183908  ?        ?         
1 1 1 72 0  22 o 0.639309 0.412639  0.455865     1.18773  0.455865     1.18773  0.455865     1.18773  0.586356 0.364971  ?        ?         
1 1 1 72 0  23 o 0.419361 0.303363  -1.39274     1.17907  -1.39274     1.17907  -1.39274     1.17907  0.328552 0.240312  ?        ?         
1 1 1 72 0  24 o 0.474585 0.337597  -0.888309    1.26355  -0.888309    1.26355  -0.888309    1.26355  0.385685 0.276445  ?        ?         
1 1 1 72 0  25 f 0.758911 0.475242  1.32851      1.45007  1.32851      1.45007  1.32851      1.45007  0.79009  0.44103   ?        ?         
1 1 1 72 0  26 o 0.47064  0.339235  -1.02675     1.40768  -1.02675     1.40768  -1.02675     1.40768  0.388381 0.280651  ?        ?         
1 1 1 72 0  27 o 0.624982 0.418553  0.68637      1.40435  0.68637      1.40435  0.68637      1.40435  0.601719 0.38393   ?        ?         
1 1 1 72 1  0  o 2.49389  0.190121  6.40525      0.935608 6.40525      0.935608 6.40525      0.935608 2.51273  0.132486  ?        ?         
1 1 1 72 1  1  o 3.00934  0.118469  9.14701      0.713025 7.67077      1.01995  10.558       0.997171 2.73591  0.186401  3.2219   0.154749  
1 1 1 72 1  2  o 0.806278 0.289609  0.605472     0.596179 0.137603     0.853211 1.05185      0.833386 0.760765 0.322653  1.00751  0.344163  
1 1 1 72 1  3  o 1.52998  0.192107  2.40426      0.587841 2.19769      0.823764 2.6186       0.839115 1.41272  0.300546  1.55375  0.280275  
1 1 1 72 1  4  o 3.86966  0.0907253 15.066       0.702152 14.9859      0.999818 15.144       0.986305 3.84713  0.129943  3.86828  0.127486  
1 1 1 72 1  5  o 1.39893  0.205662  2.01899      0.575415 1.86913      0.811676 2.17041      0.815858 1.29544  0.315723  1.40322  0.299522  
1 1 1 72 1  6  o 0.514395 0.238559  -0.456684    0.586722 -0.457478    0.836886 -0.455916    0.822795 0.638868 0.291669  0.632813 0.289029  
1 1 1 72 1  7  o 1.54908  0.192309  2.46703      0.595802 2.71325      0.853199 2.23267      0.83237  1.60464  0.265853  1.42208  0.301799  
1 1 1 72 1  8  o 2.16322  0.14618   4.75615      0.632442 4.83361      0.895713 4.67914      0.893107 2.16327  0.207028  2.12748  0.209898  
1 1 1 72 1  9  o 0.790376 0.294349  0.546243     0.622414 1.44066      0.901957 -0.266891    0.859995 1.13795  0.356724  0.680134 0.304918  
1 1 1 72 1  10 o 2.52956  0.13404   6.49648      0.678124 6.40839      0.932962 6.59515      0.987373 2.49475  0.186985  2.52752  0.195324  
1 1 1 72 1  11 o 1.84365  0.175618  3.49118      0.647555 4.48729      0.896597 2.405        0.936252 2.07623  0.21592   1.45837  0.328834  
1 1 1 72 1  12 o 4.94303  0.0968798 24.6431      0.95776  25.5378      1.34309  23.7175      1.36616  5.0125   0.133974  4.82603  0.141541  
1 1 1 72 1  13 o 1.67456  0.200754  2.91963      0.67235  2.27002      0.912736 3.69032      0.994166 1.40657  0.329824  1.85458  0.26803   
1 1 1 72 1  14 o 1.11278  0.296262  1.40835      0.671235 1.28856      0.922648 1.54303      0.978336 1.06707  0.362126  1.14873  0.372882  
1 1 1 72 1  15 o 1.58131  0.212746  2.63751      0.672836 1.98193      0.965093 3.25751      0.938531 1.28674  0.360644  1.72983  0.271278  
1 1 1 72 1  16 o 1.25537  0.280397  1.7873       0.686055 3.48619      0.97644  0.130965     0.964135 1.78477  0.273548  0.774741 0.336073  
1 1 1 72 1  17 o 0.395291 0.197646  -1.78938     0.67153  -1.38097     0.958085 -2.18379     0.941507 0.557683 0.271051  0.484256 0.241361  
1 1 1 72 1  18 o 0.852034 0.31551   0.751977     0.713094 1.15411      0.978619 0.296749     1.04122  1.00444  0.370028  0.815758 0.351491  
1 1 1 72 1  19 o 2.36992  0.181195  5.93578      0.858838 5.04586      1.18786  6.91054      1.24319  2.10519  0.282126  2.4976   0.248877  
1 1 1 72 1  20 f 2.3076   0.19904   5.72261      0.918612 4.71899      1.36275  6.55846      1.24364  1.93044  0.366228  2.41561  0.257416  
1 1 1 72 1  21 o 1.54127  0.28546   2.82437      0.846873 3.36027      1.1787   2.25256      1.21756  1.59244  0.375717  1.25295  0.415993  
1 1 1 72 1  22 f 0.878971 0.348537  0.916527     0.910467 1.24811      1.29602  0.593427     1.27933  0.975336 0.404709  0.859893 0.379678  
1 1 1 72 1  23 o 0.905708 0.345881  1.07767      0.873978 0.97699      1.22406  1.18237      1.24828  0.90124  0.384485  0.940791 0.394192  
1 1 1 72 1  24 o 0.574754 0.277006  -0.776362    0.946245 1.08129      1.42391  -2.24553     1.2663   0.90471  0.399871  0.553152 0.27629   
1 1 1 72 1  25 o 0.829275 0.35174   0.993802     1.01413  0.97184      1.42332  1.01645      1.44532  0.838065 0.381956  0.844418 0.384863  
1 1 1 72 1  26 o 0.722729 0.325624  0.445985     0.992343 -1.05032     1.39042  1.99945      1.41672  0.634727 0.312647  0.983264 0.416329  
1 1 1 72 1  27 o 0.678964 0.315865  0.461624     1.03891  1.08922      1.48689  -0.137016    1.45219  0.760192 0.361066  0.65687  0.322593  
1 1 1 72 2  0  o 1.24943  0.394617  2.03335      0.864156 2.03335      0.864156 2.03335      0.864156 1.34844  0.25299   ?        ?         
1 1 1 72 2  1  o 2.50528  0.132163  6.35849      0.662214 6.79641      0.955791 5.95419      0.918353 2.57408  0.185657  2.40765  0.190716  
1 1 1 72 2  2  o 4.45581  0.0922258 19.9808      0.821881 19.186       1.17523  20.7416      1.14982  4.35059  0.135065  4.52706  0.126994  
1 1 1 72 2  3  o 1.37303  0.224995  1.95696      0.617849 2.76438      0.920653 1.29534      0.833391 1.58791  0.300818  1.08755  0.343271  
1 1 1 72 2  4  o 2.32726  0.130654  5.48592      0.60813  4.72949      0.853807 6.26479      0.866381 2.14286  0.199221  2.47448  0.175063  
1 1 1 72 2  5  o 1.48354  0.194658  2.26419      0.577566 2.83998      0.846786 1.7633       0.789792 1.64431  0.25749   1.25773  0.314487  
1 1 1 72 2  6  o 1.01013  0.272451  1.11529      0.563095 0.72172      0.829884 1.45109      0.766555 0.901832 0.339084  1.14197  0.321852  
1 1 1 72 2  7  o 1.90674  0.15722   3.70483      0.599556 3.01281      0.867286 4.33826      0.829759 1.69347  0.256067  2.05075  0.202307  
1 1 1 72 2  8  o 2.86214  0.114139  8.27806      0.653362 8.07246      0.942481 8.46827      0.906554 2.80949  0.167732  2.8814   0.157312  
1 1 1 72 2  9  o 1.16576  0.268582  1.49512      0.613739 1.13398      0.920618 1.78402      0.82341  1.03624  0.361087  1.25624  0.325251  
1 1 1 72 2  10 o 1.77198  0.179236  3.22866      0.635207 3.16212      0.883276 3.29993      0.914155 1.72931  0.255384  1.76525  0.258931  
1 1 1 72 2  11 o 2.36478  0.13783   5.6893       0.651875 6.23522      0.917485 5.13277      0.92636  2.45817  0.186619  2.2218   0.20847   
1 1 1 72 2  12 o 1.62152  0.202235  2.73851      0.655855 3.3566       0.90314  2.04887      0.953985 1.77512  0.254388  1.32581  0.353288  
1 1 1 72 2  13 o 2.6118   0.136967  6.96315      0.715459 7.55231      0.9966   6.33658      1.02774  2.69751  0.184726  2.45832  0.209034  
1 1 1 72 2  14 o 1.75574  0.190562  3.216        0.669152 3.28015      0.929038 3.14684      0.964612 1.73888  0.267137  1.66837  0.300006  
1 1 1 72 2  15 o 1.0411   0.298477  1.2417       0.653809 0.715388     0.921053 1.77626      0.928239 0.894919 0.351914  1.21851  0.357706  
1 1 1 72 2  16 o 0.644552 0.281211  0.00729329   0.682626 0.0568955    0.963369 -0.0427249   0.967401 0.757539 0.332255  0.74061  0.328179  
1 1 1 72 2  17 o 0.52132  0.249342  -0.814226    0.731    -1.85881     1.00834  0.342905     1.06127  0.533043 0.262651  0.832897 0.356751  
1 1 1 72 2  18 o 1.42379  0.290848  2.36448      0.799582 2.30213      1.1251   2.42811      1.13655  1.32642  0.395     1.36252  0.394482  
1 1 1 72 2  19 o 0.733753 0.314469  0.254197     0.825463 0.806038     1.27419  -0.144901    1.08359  0.939061 0.396082  0.738317 0.335628  
1 1 1 72 2  20 o 1.45013  0.293271  2.50658      0.820825 2.65492      1.16965  2.36264      1.15219  1.39445  0.39904   1.31051  0.401659  
1 1 1 72 2  21 f 2.39316  0.193475  6.22055      0.926034 6.78878      1.31091  5.65456      1.30831  2.40853  0.27214   2.16118  0.302685  
1 1 1 72 2  22 o 0.812455 0.345042  0.633663     0.977924 0.986067     1.51621  0.382637     1.27967  0.930669 0.411822  0.817443 0.368954  
1 1 1 72 2  23 f 0.805311 0.345161  0.631055     0.99458  0.304201     1.3976   0.966416     1.41567  0.813972 0.373819  0.906438 0.399921  
1 1 1 72 2  24 o 0.55396  0.270946  -1.04783     1.00273  -1.70553     1.38652  -0.32664     1.4519   0.602617 0.299309  0.717595 0.345181  
1 1 1 72 2  25 o 0.77179  0.340246  0.750113     1.02197  1.52775      1.47264  0.0276826    1.4194   0.893723 0.399883  0.721001 0.345471  
1 1 1 72 2  26 o 0.679681 0.314689  0.221596     1.01549  1.04301      1.44529  -0.579306    1.42713  0.817705 0.377379  0.662017 0.323667  
1 1 1 72 3  0  o 2.44405  0.189197  6.15896      0.91207  6.15896      0.91207  6.15896      0.91207  2.46324  0.131773  ?        ?         
1 1 1 72 3  1  o 2.28785  0.140156  5.31227      0.64131  6.18878      0.9081   4.44019      0.905802 2.45604  0.184871  2.06986  0.218807  
1 1 1 72 3  2  o 1.52137  0.209056  2.39147      0.636102 1.35565      0.934603 3.28539      0.868229 1.1142   0.364464  1.77255  0.244909  
1 1 1 72 3  3  o 3.06694  0.111187  9.49479      0.682006 9.21198      1.03466  9.71208      0.906921 3.00128  0.172369  3.09113  0.146697  
1 1 1 72 3  4  o 2.8805   0.111656  8.37649      0.643248 7.55637      0.966742 9.02804      0.861677 2.71611  0.177965  2.98089  0.144533  
1 1 1 72 3  5  o 2.76718  0.115661  7.73614      0.640113 7.91276      0.950769 7.58971      0.86571  2.78183  0.170889  2.72861  0.158636  
1 1 1 72 3  6  o 2.11118  0.143269  4.52971      0.604931 3.80156      0.911113 5.10375      0.808971 1.90703  0.238883  2.23021  0.181367  
1 1 1 72 3  7  o 1.34887  0.221187  1.89389      0.596705 1.4207       0.876903 2.30193      0.814306 1.12737  0.351402  1.44493  0.291997  
1 1 1 72 3  8  o 1.95791  0.156117  3.91515      0.611325 4.09388      0.90497  3.76515      0.829093 1.97871  0.228677  1.90138  0.218024  
1 1 1 72 3  9  o 1.82098  0.172386  3.40284      0.627823 3.7167       0.935983 3.14613      0.846496 1.87706  0.249322  1.72858  0.244853  
1 1 1 72 3  10 o 0.628797 0.270665  0.0229714    0.616247 -0.428949    0.846549 0.532407     0.898805 0.642786 0.293412  0.860132 0.344501  
1 1 1 72 3  11 f 1.43178  0.22171   2.15256      0.634882 1.69118      0.868519 2.68201      0.930388 1.20981  0.343111  1.5416   0.312658  
1 1 1 72 3  12 o 2.3935   0.140852  5.85408      0.67426  5.74463      0.951684 5.9644       0.955422 2.34403  0.203002  2.39004  0.199876  
1 1 1 72 3  13 o 4.9893   0.107906  25.2356      1.07675  25.6288      1.47244  24.7837      1.5786   4.99892  0.147276  4.90393  0.160953  
1 1 1 72 3  14 o 2.39414  0.145123  5.8814       0.694888 4.98411      0.993446 6.74097      0.972336 2.16304  0.229641  2.53938  0.191451  
1 1 1 72 3  15 o 1.13038  0.290302  1.46881      0.659656 0.908739     0.949259 1.99185      0.917348 0.947522 0.360871  1.28857  0.347835  
1 1 1 72 3  16 o 0.679254 0.288456  0.165946     0.683403 -0.286454    0.948671 0.653981     0.985326 0.689451 0.313581  0.883236 0.35781   
1 1 1 72 3  17 o 2.09062  0.185522  4.609        0.775713 4.25415      1.05765  5.02209      1.14116  1.95161  0.270968  2.12217  0.268866  
1 1 1 72 3  18 o 1.45988  0.271047  2.46171      0.761752 2.58317      1.06817  2.33602      1.08662  1.41282  0.372634  1.33016  0.385917  
1 1 1 72 3  19 o 0.707925 0.308247  0.155478     0.816844 -1.45138     1.19963  1.54449      1.11535  0.623177 0.303015  1.08757  0.395578  
1 1 1 72 3  20 o 1.44474  0.297681  2.53328      0.830729 1.80452      1.2075   3.18816      1.14467  1.12961  0.411524  1.54654  0.373699  
1 1 1 72 3  21 o 1.05209  0.36453   1.54032      0.937125 1.27866      1.43712  1.73389      1.23607  0.983489 0.417996  1.07649  0.41127   
1 1 1 72 3  22 o 0.909453 0.358987  1.08687      0.961835 -0.567641    1.53027  2.16736      1.23664  0.749804 0.359136  1.16101  0.417098  
1 1 1 72 3  23 o 1.40903  0.35982   2.86609      1.0177   2.63674      1.45122  3.08802      1.42756  1.18903  0.448138  1.30157  0.450017  
1 1 1 72 3  24 o 0.96975  0.377647  1.62745      1.05457  2.39035      1.5395   0.952977     1.44752  1.04355  0.43753   0.838054 0.383016  
1 1 1 72 3  25 o 0.857359 0.361201  1.16042      1.05761  0.688539     1.5462   1.57531      1.44983  0.803872 0.377189  0.913031 0.403529  
1 1 1 72 3  26 o 0.691909 0.32197   0.475462     1.08034  0.273745     1.58445  0.650721     1.47688  0.705569 0.344158  0.731061 0.350799  
1 1 1 72 4  0  f 5.65588  0.112749  32.1833      1.27424  32.1833      1.27424  32.1833      1.27424  5.66446  0.0795685 ?        ?         
1 1 1 72 4  1  o 1.59166  0.197456  2.60942      0.628565 1.97242      0.882995 3.26382      0.894976 1.324    0.333417  1.76336  0.25377   
1 1 1 72 4  2  o 2.10368  0.151294  4.5036       0.636548 3.84304      0.909034 5.13913      0.891649 1.91924  0.236821  2.23285  0.199666  
1 1 1 72 4  3  o 2.19743  0.141148  4.90431      0.620327 6.70473      0.968985 3.65403      0.807483 2.55346  0.189739  1.87773  0.215016  
1 1 1 72 4  4  o 2.06389  0.147793  4.33481      0.610058 3.60124      0.879716 5.0144       0.846733 1.85609  0.236981  2.20674  0.191851  
1 1 1 72 4  5  o 0.7114   0.279788  0.355539     0.582274 0.864937     0.856724 -0.0817716   0.793793 0.946487 0.346456  0.686575 0.301361  
1 1 1 72 4  6  f 3.74945  0.0963438 14.1723      0.722472 13.4218      1.04652  14.8557      0.998621 3.63093  0.144112  3.82606  0.130502  
1 1 1 72 4  7  o 0.814713 0.291329  0.638216     0.602685 0.75118      0.909793 0.549879     0.80453  0.922362 0.352706  0.840196 0.329306  
1 1 1 72 4  8  o 2.43409  0.133259  6.01787      0.648732 5.55846      0.97166  6.38737      0.871398 2.3128   0.210062  2.49378  0.174715  
1 1 1 72 4  9  o 2.02788  0.162002  4.21453      0.657039 3.40939      0.969009 4.89972      0.893913 1.78532  0.271383  2.17043  0.20593   
1 1 1 72 4  10 o 0.884181 0.305375  0.813607     0.657208 0.707454     0.924161 0.922217     0.934795 0.905833 0.353368  0.966649 0.360584  
1 1 1 72 4  11 o 2.31911  0.143487  5.50086      0.665527 5.6254       0.929768 5.37001      0.953059 2.32064  0.200326  2.26225  0.210644  
1 1 1 72 4  12 o 2.3393   0.14675   5.61134      0.686584 6.16821      0.967681 5.04683      0.974305 2.42743  0.199322  2.1834   0.223116  
1 1 1 72 4  13 o 3.24817  0.114917  10.7226      0.74654  9.63347      1.03329  11.912       1.07977  3.05032  0.169375  3.39892  0.158841  
1 1 1 72 4  14 o 2.46348  0.147645  6.23949      0.727441 6.11653      1.0164   6.36863      1.04158  2.40456  0.211348  2.45301  0.212306  
1 1 1 72 4  15 o 1.29681  0.271337  1.90815      0.680998 2.12366      0.9501   1.68044      0.976599 1.32163  0.352747  1.17151  0.371783  
1 1 1 72 4  16 o 0.758625 0.302674  0.466011     0.690508 -0.033922    0.978078 0.962782     0.974981 0.736604 0.327832  0.950716 0.364666  
1 1 1 72 4  17 o 1.14252  0.31441   1.5823       0.740676 1.20616      0.994579 2.05066      1.10982  1.00622  0.372612  1.24476  0.396463  
1 1 1 72 4  18 o 1.21781  0.312694  1.81411      0.765457 1.82066      1.10553  1.80808      1.06089  1.1669   0.396393  1.16737  0.388309  
1 1 1 72 4  19 f 1.30974  0.32701   2.14709      0.854893 1.0856       1.2239   3.15841      1.19463  0.975642 0.397498  1.53447  0.388656  
1 1 1 72 4  20 f 0.919431 0.353996  1.0461       0.921134 1.95598      1.40476  0.359775     1.22005  1.12731  0.436508  0.820578 0.365648  
1 1 1 72 4  21 o 1.00573  0.366469  1.43235      0.957615 1.4502       1.56289  1.42161      1.21171  0.997923 0.430314  0.992492 0.398964  
1 1 1 72 4  22 o 0.913588 0.35692   1.12911      0.943552 2.21727      1.52163  0.449305     1.2027   1.11655  0.447809  0.80407  0.360533  
1 1 1 72 4  23 o 1.23015  0.387859  2.51326      1.06423  2.87186      1.57063  2.20887      1.44706  1.15097  0.457341  1.0508   0.430847  
1 1 1 72 4  24 o 0.745219 0.338597  0.546116     1.09982  -0.857196    1.52755  2.05657      1.58479  0.66618  0.328146  0.960395 0.423508  
1 1 1 72 4  25 o 1.36701  0.386064  3.20207      1.10184  4.40698      1.63883  2.20809      1.48848  1.35289  0.48074   0.980056 0.421229  
1 1 1 72 5  0  o 2.3878   0.194176  5.90121      0.9132   5.90121      0.9132   5.90121      0.9132   2.40898  0.134995  ?        ?         
1 1 1 72 5  1  f 2.9935   0.114163  9.05923      0.683495 8.97044      0.975923 9.1447       0.957554 2.96155  0.164766  2.99207  0.160016  
1 1 1 72 5  2  o 2.90686  0.110922  8.53834      0.644871 8.3369       0.912803 8.73907      0.911171 2.8566   0.159771  2.92625  0.155689  
1 1 1 72 5  3  o 3.86533  0.0950036 15.058       0.734441 15.2147      1.10762  14.935       0.981156 3.86642  0.143236  3.83754  0.127837  
1 1 1 72 5  4  o 4.61869  0.087969  21.4768      0.812602 21.0509      1.21011  21.8265      1.09664  4.55316  0.132887  4.6437   0.118078  
1 1 1 72 5  5  o 0.618979 0.264222  0.0495324    0.578673 0.00609929   0.827398 0.0911199    0.809626 0.716658 0.311111  0.72788  0.311678  
1 1 1 72 5  6  o 5.34339  0.0840089 28.7298      0.897784 28.2191      1.27907  29.2257      1.26045  5.27797  0.121171  5.37346  0.117285  
1 1 1 72 5  7  o 2.08223  0.154495  4.43068      0.643386 5.75043      0.926512 3.2016       0.894121 2.35653  0.196584  1.73723  0.257341  
1 1 1 72 5  8  o 0.521155 0.243017  -0.498188    0.619534 -0.701715    0.876257 -0.294756    0.87605  0.612241 0.286674  0.675677 0.305104  
1 1 1 72 5  9  o 0.958052 0.294028  1.01711      0.617145 1.0551       0.890386 0.981985     0.856168 0.996969 0.354342  0.970088 0.347197  
1 1 1 72 5  10 o 2.51958  0.136506  6.48111      0.687876 6.53444      0.96712  6.42652      0.978588 2.50411  0.193107  2.48119  0.197201  
1 1 1 72 5  11 o 2.86488  0.123515  8.35595      0.707713 8.00572      0.985812 8.72841      1.01661  2.77818  0.177421  2.90219  0.175146  
1 1 1 72 5  12 o 3.64862  0.117499  13.5393      0.857418 14.1801      1.18913  12.8454      1.23746  3.70735  0.160374  3.5176   0.175896  
1 1 1 72 5  13 o 0.784792 0.301631  0.544497     0.668146 -0.242044    0.895811 1.53065      1.00306  0.682004 0.308213  1.13256  0.377576  
1 1 1 72 5  14 o 0.70687  0.290359  0.299528     0.658409 -0.0485873   0.902022 0.69651      0.963255 0.71534  0.316949  0.89179  0.356864  
1 1 1 72 5  15 o 2.68442  0.13801   7.41465      0.740952 7.39947      1.00898  7.43241      1.09162  2.64833  0.190494  2.64213  0.206579  
1 1 1 72 5  16 o 3.08526  0.152921  9.89115      0.9436   11.7139      1.27821  7.70815      1.39883  3.32046  0.192475  2.62367  0.266579  
1 1 1 72 5  17 o 0.919175 0.323552  0.988285     0.740766 0.35627      1.02882  1.66867      1.06746  0.808293 0.348845  1.1279   0.389222  
1 1 1 72 5  18 o 0.670152 0.300265  -0.0596341   0.83286  0.153749     1.3104   -0.204252    1.07878  0.832621 0.374713  0.724273 0.330864  
1 1 1 72 5  19 o 1.58984  0.295488  3.06879      0.90442  2.92982      1.42876  3.1617       1.16828  1.36894  0.450631  1.51844  0.384195  
1 1 1 72 5  20 o 1.55332  0.323634  3.1122       0.972323 3.39876      1.48879  2.89905      1.28398  1.42822  0.459625  1.36399  0.425224  
1 1 1 72 5  21 o 1.08846  0.36789   1.72444      0.952257 1.95404      1.57699  1.59268      1.19465  1.07356  0.446007  1.02502  0.401376  
1 1 1 72 5  22 o 1.10803  0.374858  1.91662      0.988671 1.0838       1.6084   2.4224       1.25344  0.905581 0.410922  1.17918  0.420288  
1 1 1 72 5  23 o 1.26802  0.398014  2.79716      1.12235  2.90801      1.61451  2.6935       1.56133  1.11549  0.455851  1.09003  0.447334  
1 1 1 72 5  24 o 0.819886 0.357523  0.962993     1.1022   -0.0863156   1.52941  2.09687      1.58985  0.730426 0.352066  0.977765 0.42785   
1 1 1 72 5  25 o 0.634032 0.303927  -0.0628631   1.10146  -0.0109652   1.55264  -0.115443    1.56282  0.686706 0.336172  0.680315 0.334283  
1 1 1 72 6  0  o 0.827312 0.428771  1.09504      0.90653  1.09504      0.90653  1.09504      0.90653  0.858701 0.367685  ?        ?         
1 1 1 72 6  1  o 0.838348 0.291818  0.703187     0.601149 0.358569     0.875116 1.01111      0.827212 0.812749 0.334451  0.984205 0.342344  
1 1 1 72 6  2  o 3.44395  0.101646  11.9687      0.700126 12.0235      1.01822  11.9195      0.964237 3.43439  0.148239  3.42267  0.14086   
1 1 1 72 6  3  o 0.586098 0.259732  -0.141751    0.606106 -0.115576    0.869857 -0.166453    0.845009 0.709252 0.313131  0.689349 0.305932  
1 1 1 72 6  4  o 0.610317 0.261815  0.02765      0.573125 -0.504316    0.834799 0.501939     0.788246 0.626291 0.288164  0.821822 0.324797  
1 1 1 72 6  5  o 1.78622  0.167266  3.27312      0.597551 3.6005       0.858131 2.96494      0.832577 1.8521   0.231664  1.67472  0.248572  
1 1 1 72 6  6  o 2.71974  0.124663  7.50863      0.678101 7.19089      0.962069 7.82233      0.95592  2.6395   0.182245  2.75703  0.17336   
1 1 1 72 6  7  o 1.94401  0.162026  3.8811       0.629959 3.29843      0.896576 4.44925      0.885324 1.75874  0.254892  2.06134  0.214745  
1 1 1 72 6  8  o 1.27806  0.257478  1.80144      0.635042 1.46557      0.866731 2.19073      0.933106 1.12654  0.349     1.37116  0.341215  
1 1 1 72 6  9  o 3.52469  0.104345  12.578       0.735567 12.6576      1.02701  12.4941      1.05402  3.51502  0.146088  3.48937  0.151032  
1 1 1 72 6  10 o 1.65568  0.193847  2.86483      0.641896 3.73427      0.905439 1.98635      0.910134 1.86797  0.242359  1.296    0.344949  
1 1 1 72 6  11 o 1.8815   0.183362  3.68741      0.689991 3.69989      0.919675 3.67135      1.04362  1.85426  0.24799   1.82605  0.28576   
1 1 1 72 6  12 o 2.66438  0.141428  7.28154      0.753635 8.45938      1.05817  6.06912      1.07359  2.8457   0.185925  2.38687  0.224896  
1 1 1 72 6  13 o 1.06765  0.310335  1.33013      0.702032 2.49624      0.990064 0.150939     0.995605 1.4404   0.347231  0.78299  0.34061   
1 1 1 72 6  14 o 1.14216  0.293907  1.52596      0.675153 0.569597     0.899274 2.76141      1.0221   0.840398 0.341287  1.5094   0.345822  
1 1 1 72 6  15 o 2.73287  0.13995   7.7083       0.764929 7.07974      1.041    8.446        1.12775  2.57523  0.202118  2.8143   0.20036   
1 1 1 72 6  16 o 2.14593  0.175125  4.86253      0.751611 4.14013      1.01266  5.74862      1.12154  1.91634  0.264216  2.27484  0.246509  
1 1 1 72 6  17 o 2.5807   0.171175  7.03299      0.883503 5.84565      1.30542  8.03654      1.20014  2.24378  0.290897  2.71127  0.221324  
1 1 1 72 6  18 o 1.61107  0.266086  2.98513      0.857364 3.4244       1.35275  2.69021      1.10842  1.54277  0.425058  1.4053   0.383696  
1 1 1 72 6  19 o 2.23132  0.222197  5.58487      0.991585 3.73004      1.55971  6.8431       1.28461  1.50186  0.468756  2.41433  0.266039  
1 1 1 72 6  20 f 1.15283  0.375145  1.94797      0.990184 -0.210813    1.58955  3.31688      1.26578  0.794191 0.375371  1.47372  0.413012  
1 1 1 72 6  21 o 1.80136  0.267914  3.92059      0.965217 4.25272      1.56196  3.7154       1.22768  1.56936  0.465017  1.58942  0.388861  
1 1 1 72 6  22 o 1.7055   0.311112  3.95605      1.02185  1.56081      1.66048  5.41608      1.29641  0.928144 0.419527  1.9741   0.328355  
1 1 1 72 6  23 o 0.57276  0.280255  -0.931801    1.07568  -2.176       1.51289  0.340243     1.52973  0.586605 0.294643  0.761649 0.363429  
1 1 1 72 6  24 o 0.864701 0.362818  1.28552      1.05996  1.25274      1.58872  1.31181      1.42296  0.843726 0.391778  0.852789 0.386761  
1 1 1 72 7  0  o 3.43915  0.144656  12.0045      0.990982 12.0045      0.990982 12.0045      0.990982 3.45202  0.101695  ?        ?         
1 1 1 72 7  1  o 1.28692  0.240741  1.79359      0.596671 2.38526      0.862358 1.2502       0.826428 1.45958  0.305295  1.06109  0.342541  
1 1 1 72 7  2  o 1.23703  0.259261  1.68005      0.620846 1.74889      0.891542 1.61525      0.865074 1.23302  0.346967  1.18785  0.344239  
1 1 1 72 7  3  o 5.14868  0.0908157 26.7205      0.935162 28.4828      1.25782  24.5423      1.39835  5.30107  0.118638  4.9062   0.142509  
1 1 1 72 7  4  o 1.85602  0.17125   3.54583      0.63569  3.53705      0.910677 3.55418      0.887764 1.82511  0.249486  1.83259  0.242216  
1 1 1 72 7  5  f 3.10386  0.109336  9.75317      0.678725 8.91669      0.958887 10.5931      0.960841 2.94618  0.162734  3.21798  0.149293  
1 1 1 72 7  6  o 2.67714  0.121235  7.28033      0.649129 6.64857      0.941224 7.85339      0.896429 2.53192  0.185872  2.76361  0.162184  
1 1 1 72 7  7  o 1.53469  0.205649  2.46739      0.631213 3.34606      0.900444 1.61842      0.885093 1.7654   0.255026  1.17577  0.350388  
1 1 1 72 7  8  o 1.95937  0.163108  3.95858      0.639179 3.84421      0.886613 4.08236      0.922314 1.90115  0.233178  1.95797  0.235528  
1 1 1 72 7  9  o 2.6149   0.140251  7.00158      0.733486 5.13912      1.07801  8.60707      1.00089  2.18789  0.246359  2.88156  0.173671  
1 1 1 72 7  10 o 1.73551  0.205076  3.16979      0.711822 2.71958      1.02764  3.58504      0.986932 1.5159   0.346382  1.81148  0.27241   
1 1 1 72 7  11 o 1.95579  0.189591  4.00327      0.741602 4.38849      1.04611  3.61409      1.05147  2.00814  0.260468  1.80404  0.291422  
1 1 1 72 7  12 o 1.85108  0.19759   3.61079      0.731509 3.72989      1.03738  3.49299      1.03166  1.83256  0.283041  1.7679   0.291777  
1 1 1 72 7  13 o 1.64968  0.220791  2.92063      0.728468 1.84381      0.997416 4.1517       1.06646  1.2147   0.373999  1.93046  0.27622   
1 1 1 72 7  14 o 1.63397  0.229621  2.89813      0.750387 3.48342      1.06718  2.32577      1.05533  1.70887  0.323997  1.34856  0.376855  
1 1 1 72 7  15 o 2.78346  0.150064  8.06358      0.835393 6.0379       1.1422   10.3935      1.22499  2.33367  0.244723  3.11652  0.196531  
1 1 1 72 7  16 o 1.5247   0.251177  2.6025       0.765937 2.66463      1.10383  2.54481      1.06368  1.42175  0.380555  1.39475  0.373678  
1 1 1 72 7  17 o 0.962195 0.338443  1.14073      0.810385 1.07593      1.27084  1.18513      1.05203  0.974992 0.402427  0.982289 0.378288  
1 1 1 72 7  18 f 1.38896  0.323899  2.46968      0.884075 2.78877      1.3821   2.24869      1.15016  1.32896  0.443211  1.23704  0.404315  
1 1 1 72 7  19 o 1.26357  0.363018  2.2557       0.966133 2.43175      1.56598  2.14751      1.22761  1.17426  0.459597  1.16522  0.415874  
1 1 1 72 7  20 o 0.819934 0.345322  0.71413      0.966151 1.91507      1.67611  0.116544     1.18234  1.05595  0.450182  0.755188 0.345567  
1 1 1 72 7  21 o 0.580177 0.278458  -0.623148    0.931841 1.03393      1.49652  -1.67249     1.19088  0.8797   0.397918  0.562619 0.279161  
1 1 1 72 7  22 o 0.872978 0.355202  1.20819      0.976002 2.65888      1.62887  0.395621     1.21908  1.06179  0.447837  0.745678 0.345072  
1 1 1 72 7  23 o 1.64513  0.359155  4.1182       1.14905  4.55621      1.65082  3.70656      1.60036  1.42627  0.484386  1.26206  0.471597  
1 1 1 72 7  24 o 0.640456 0.306004  0.0427632    1.09369  -0.18541     1.51289  0.292546     1.58291  0.665885 0.327741  0.704783 0.343814  
1 1 1 72 8  0  o 3.36544  0.152987  11.533       1.02489  11.533       1.02489  11.533       1.02489  3.38088  0.107423  ?        ?         
1 1 1 72 8  1  o 2.0073   0.158105  4.13451      0.634729 3.75399      0.857929 4.59466      0.943437 1.88745  0.227272  2.08879  0.225833  
1 1 1 72 8  2  o 0.498187 0.233424  -0.513981    0.584496 0.0809212    0.806587 -1.17183     0.848186 0.718233 0.309415  0.539244 0.260457  
1 1 1 72 8  3  o 3.01139  0.112872  9.19257      0.679806 8.95137      0.957751 9.43746      0.965073 2.95046  0.162306  3.03109  0.159196  
1 1 1 72 8  4  o 2.03776  0.158263  4.26697      0.645002 2.98666      0.935396 5.42757      0.890594 1.63106  0.297799  2.28226  0.195112  
1 1 1 72 8  5  o 0.790441 0.290302  0.594577     0.601945 0.969051     0.868096 0.247777     0.835404 0.962796 0.349106  0.762586 0.321135  
1 1 1 72 8  6  o 2.54121  0.128089  6.58128      0.651002 7.41384      0.923122 5.75756      0.918211 2.67682  0.172429  2.3477   0.195555  
1 1 1 72 8  7  o 2.01961  0.159778  4.20435      0.645379 4.93539      0.913974 3.47736      0.911438 2.16442  0.211136  1.79668  0.253645  
1 1 1 72 8  8  o 3.42262  0.119153  11.9193      0.815632 11.4747      1.11851  12.4243      1.19195  3.33017  0.167935  3.46228  0.172133  
1 1 1 72 8  9  o 2.57567  0.143916  6.80681      0.741361 6.43787      1.06216  7.15729      1.03524  2.46621  0.215342  2.6114   0.198216  
1 1 1 72 8  10 o 0.663838 0.286054  0.0775594    0.689724 -1.19777     0.98721  1.29372      0.964037 0.588924 0.283615  1.05767  0.369413  
1 1 1 72 8  11 o 1.01745  0.301785  1.19842      0.657623 1.4982       0.858957 0.773817     1.02225  1.11783  0.347659  0.921039 0.368021  
1 1 1 72 8  12 o 2.63385  0.142455  7.14956      0.75041  6.93112      0.981663 7.45667      1.16395  2.56299  0.191508  2.6358   0.220796  
1 1 1 72 8  13 o 1.93252  0.187295  3.94691      0.723901 4.14036      0.96095  3.69308      1.10073  1.93977  0.247697  1.75994  0.324927  
1 1 1 72 8  14 o 1.87912  0.20514   3.79829      0.770966 3.729        1.07806  3.87082      1.10299  1.76292  0.317326  1.82274  0.302563  
1 1 1 72 8  15 o 3.09444  0.13709   9.91452      0.848434 9.78729      1.17486  10.0532      1.22654  3.0236   0.194281  3.05778  0.200561  
1 1 1 72 8  16 o 0.890179 0.331544  0.90368      0.789683 -0.314022    1.20564  1.81859      1.04505  0.742227 0.343356  1.1624   0.385399  
1 1 1 72 8  17 o 0.920762 0.346415  1.04456      0.86642  -0.662907    1.48802  1.92037      1.06571  0.755201 0.359884  1.16361  0.389189  
1 1 1 72 8  18 o 0.913663 0.349847  1.07488      0.896084 0.519216     1.488    1.39105      1.12243  0.869198 0.394639  0.994886 0.389162  
1 1 1 72 8  19 o 2.21979  0.235638  5.68429      1.04613  3.60717      1.72059  6.90249      1.31766  1.37212  0.492082  2.38951  0.275718  
1 1 1 72 8  20 o 1.72894  0.287997  3.7523       0.995858 2.06889      1.71306  4.6116       1.22391  1.0497   0.451552  1.83214  0.346626  
1 1 1 72 8  21 o 1.02976  0.370778  1.77343      0.977715 1.34522      1.59997  2.02863      1.23516  0.894162 0.406836  1.03744  0.407663  
1 1 1 72 8  22 o 0.680827 0.320565  -0.000462054 1.14049  1.96004      1.65138  -1.78826     1.57697  0.945188 0.423169  0.62039  0.309654  
1 1 1 72 8  23 o 2.012    0.315558  5.81567      1.26981  7.82815      1.73046  3.46779      1.8691   2.09094  0.428555  1.07033  0.466165  
1 1 1 72 9  0  o 0.849333 0.422627  1.17257      0.862373 1.17257      0.862373 1.17257      0.862373 0.902183 0.354192  ?        ?         
1 1 1 72 9  1  o 1.31568  0.245783  1.89861      0.622733 2.40097      0.848737 1.31281      0.916518 1.45408  0.301926  1.07305  0.360921  
1 1 1 72 9  2  o 0.833479 0.291354  0.715823     0.599772 0.675604     0.808849 0.764948     0.893928 0.863813 0.331911  0.907102 0.348837  
1 1 1 72 9  3  o 1.12142  0.276756  1.41945      0.617747 2.40917      0.863689 0.382847     0.883913 1.45252  0.30681   0.808104 0.334705  
1 1 1 72 9  4  o 2.3134   0.135223  5.4681       0.625648 5.46863      0.862791 5.4675       0.908586 2.29085  0.188312  2.28535  0.198785  
1 1 1 72 9  5  o 2.1643   0.14956   4.81161      0.647388 4.94322      0.90735  4.67514      0.923966 2.16664  0.209391  2.10168  0.219816  
1 1 1 72 9  6  o 2.44458  0.133188  6.10652      0.651178 5.7178       0.903737 6.52625      0.93909  2.33814  0.19326   2.50107  0.187738  
1 1 1 72 9  7  o 0.887447 0.308996  0.84063      0.674045 1.6422       0.981063 0.12394      0.927665 1.17044  0.372753  0.762042 0.330097  
1 1 1 72 9  8  o 3.22733  0.122554  10.617       0.791044 10.6895      1.11774  10.5442      1.11968  3.20718  0.174256  3.18423  0.175816  
1 1 1 72 9  9  o 1.17271  0.279622  1.57161      0.647516 2.16217      0.875306 0.857811     0.962319 1.35277  0.326726  0.933754 0.361342  
1 1 1 72 9  10 o 0.65476  0.277728  0.146927     0.632279 -0.75523     0.844818 1.29575      0.95334  0.580523 0.274085  1.05042  0.367312  
1 1 1 72 9  11 o 3.00479  0.12958   9.26036      0.778723 10.1618      1.02278  8.01712      1.20115  3.12456  0.163669  2.73257  0.219785  
1 1 1 72 9  12 o 1.30263  0.275527  1.96046      0.695734 1.65755      0.929532 2.34633      1.04912  1.14919  0.362511  1.35536  0.374725  
1 1 1 72 9  13 o 1.33918  0.298063  2.13757      0.777486 1.16893      1.1043   3.08965      1.09482  0.998299 0.386925  1.5652   0.357441  
1 1 1 72 9  14 o 1.86528  0.215766  3.78362      0.804928 2.92103      1.13862  4.64537      1.13806  1.49311  0.380184  2.01024  0.283067  
1 1 1 72 9  15 o 1.5781   0.245776  2.78423      0.775717 1.89739      1.13449  3.5629       1.06305  1.17711  0.401552  1.70675  0.32317   
1 1 1 72 9  16 o 1.46088  0.299221  2.6143       0.844128 0.941109     1.3756   3.62491      1.06908  0.943022 0.405114  1.69844  0.32637   
1 1 1 72 9  17 o 0.958659 0.358908  1.22272      0.927799 2.14977      1.54922  0.704293     1.15853  1.13723  0.453479  0.858667 0.37038   
1 1 1 72 9  18 o 1.31683  0.345418  2.37875      0.921019 0.309539     1.49032  3.65738      1.17152  0.833994 0.384255  1.61816  0.369895  
1 1 1 72 9  19 o 1.39267  0.358435  2.74539      1.00403  2.35151      1.82639  2.91597      1.20194  1.10258  0.469992  1.36308  0.408744  
1 1 1 72 9  20 f 0.97641  0.365244  1.5414       0.960443 2.68506      1.56592  0.851712     1.21603  1.11415  0.451191  0.826257 0.366807  
1 1 1 72 9  21 o 1.35137  0.394366  3.14611      1.1315   4.64084      1.60653  1.67477      1.59391  1.46223  0.477844  0.911715 0.411623  
1 1 1 72 9  22 o 0.773644 0.347576  0.725246     1.12269  0.148993     1.58383  1.3072       1.59164  0.748529 0.360173  0.862769 0.397357  
1 1 1 72 9  23 o 0.759235 0.346023  1.01136      1.16801  -0.221355    1.5436   2.66264      1.78653  0.659456 0.324947  0.894135 0.415288  
1 1 1 72 10 0  o 1.31869  0.378264  2.23104      0.863985 2.23104      0.863985 2.23104      0.863985 1.42     0.234377  ?        ?         
1 1 1 72 10 1  o 2.06039  0.154493  4.36897      0.636631 4.98151      0.905417 3.77001      0.895331 2.17537  0.208107  1.87783  0.238395  
1 1 1 72 10 2  o 1.17399  0.28324   1.56702      0.658359 1.26727      0.909071 1.89763      0.954725 1.05348  0.359451  1.25824  0.360666  
1 1 1 72 10 3  o 1.68515  0.191956  2.96874      0.646949 1.7032       0.874802 4.49636      0.961125 1.19897  0.345751  2.05235  0.234152  
1 1 1 72 10 4  o 3.68284  0.10551   13.751       0.777151 14.3879      1.02222  12.8787      1.19632  3.75008  0.136293  3.52616  0.169635  
1 1 1 72 10 5  o 1.60038  0.19406   2.68239      0.621139 1.86112      0.831847 3.71734      0.933814 1.2585   0.327417  1.85544  0.251642  
1 1 1 72 10 6  f 1.49225  0.216615  2.36131      0.646487 1.76002      0.900717 3.0002       0.928456 1.21213  0.351255  1.62404  0.296884  
1 1 1 72 10 7  o 1.69646  0.203834  3.03672      0.691593 3.43479      0.985776 2.65087      0.970522 1.76376  0.279453  1.49892  0.332517  
1 1 1 72 10 8  o 2.02524  0.16347   4.25372      0.66213  5.43371      0.88633  2.76358      0.996026 2.27169  0.195081  1.52503  0.335631  
1 1 1 72 10 9  o 0.982432 0.304486  1.12008      0.659638 2.02634      0.886942 -0.00164768  0.986761 1.29455  0.338687  0.748553 0.331605  
1 1 1 72 10 10 o 0.516827 0.242837  -0.553901    0.647828 -0.651936    0.862689 -0.42713     0.981009 0.598134 0.28085   0.674928 0.311267  
1 1 1 72 10 11 o 0.551298 0.259682  -0.6305      0.749897 0.29821      1.06693  -1.5372      1.05421  0.814991 0.353535  0.571844 0.279255  
1 1 1 72 10 12 o 3.03677  0.149369  9.59517      0.907196 9.92369      1.2461   9.22468      1.32332  3.03616  0.205209  2.90329  0.2279    
1 1 1 72 10 13 o 1.12156  0.324088  1.56094      0.767846 0.499756     1.09168  2.59992      1.0802   0.847959 0.362469  1.40908  0.376141  
1 1 1 72 10 14 o 1.01433  0.330734  1.27749      0.769616 2.29845      1.10981  0.331665     1.06819  1.29943  0.393394  0.807116 0.351959  
1 1 1 72 10 15 o 1.46023  0.282568  2.55648      0.795775 4.28928      1.18494  1.13292      1.07401  1.84457  0.333417  0.958626 0.379044  
1 1 1 72 10 16 o 0.552275 0.266524  -0.91306     0.883126 -0.144564    1.44767  -1.36856     1.11453  0.789364 0.3694    0.586292 0.286501  
1 1 1 72 10 17 o 1.90349  0.260943  4.29446      0.993403 2.87311      1.67832  5.06098      1.2325   1.23672  0.477483  2.00877  0.306778  
1 1 1 72 10 18 o 1.00408  0.356582  1.44109      0.901518 0.588859     1.47125  1.95345      1.14077  0.858201 0.390381  1.11394  0.400561  
1 1 1 72 10 19 o 1.56964  0.39062   3.8591       1.22285  5.15721      1.90868  2.95527      1.59265  1.50754  0.520439  1.17826  0.462941  
1 1 1 72 10 20 o 0.678095 0.317806  0.0157225    1.08618  -0.59365     1.46649  0.756281     1.61665  0.683628 0.333032  0.817963 0.384141  
1 1 1 72 10 21 o 0.889446 0.37174   1.33047      1.10575  -0.396194    1.54145  3.16093      1.5871   0.707003 0.343682  1.15706  0.45974   
1 1 1 72 10 22 o 0.958399 0.386571  1.93441      1.14308  4.94372      1.65137  -0.833908    1.58387  1.38369  0.48347   0.647886 0.321534  
1 1 1 72 11 0  o 6.40827  0.135687  41.5985      1.73728  41.5985      1.73728  41.5985      1.73728  6.42896  0.0955874 ?        ?         
1 1 1 72 11 1  o 2.19235  0.151595  4.94648      0.664698 3.88489      0.931396 6.04835      0.948898 1.89971  0.245141  2.4004   0.197654  
1 1 1 72 11 2  o 1.89162  0.173904  3.71642      0.657919 3.6889       0.944106 3.74241      0.917347 1.8448   0.255882  1.86354  0.24613   
1 1 1 72 11 3  o 2.44513  0.141197  6.13268      0.690492 6.18748      0.9176   6.06113      1.04843  2.43196  0.188654  2.38845  0.21948   
1 1 1 72 11 4  o 3.6703   0.10474   13.6652      0.768857 14.9512      1.02618  12.0195      1.1609   3.8215   0.134264  3.4022   0.17061   
1 1 1 72 11 5  o 1.08891  0.30239   1.37649      0.681579 2.0503       0.923321 0.569672     1.01034  1.30495  0.347489  0.874585 0.35954   
1 1 1 72 11 6  o 1.82366  0.186134  3.48603      0.678893 3.45246      0.895407 3.53142      1.0412   1.78134  0.251329  1.77589  0.293149  
1 1 1 72 11 7  o 3.14328  0.113691  10.0661      0.714723 9.5888       0.931196 10.7504      1.11499  3.04536  0.152888  3.20926  0.173715  
1 1 1 72 11 8  o 1.66483  0.203597  2.94698      0.67791  2.45808      0.913749 3.54553      1.01104  1.43429  0.325864  1.77656  0.284548  
1 1 1 72 11 9  o 0.775102 0.301748  0.544173     0.673163 1.13934      0.883104 -0.28129     1.04002  0.988127 0.35272   0.714377 0.32583   
1 1 1 72 11 10 o 2.88709  0.141344  8.62094      0.816148 9.73684      1.1883   7.6245       1.12289  3.02121  0.196659  2.66093  0.210996  
1 1 1 72 11 11 o 1.7907   0.218546  3.48671      0.782702 3.38631      1.11791  3.58325      1.09623  1.64602  0.35007   1.71285  0.331845  
1 1 1 72 11 12 o 1.4123   0.287371  2.35806      0.783516 2.77772      1.14307  1.98614      1.07608  1.44633  0.387317  1.21735  0.390659  
1 1 1 72 11 13 o 1.18028  0.314465  1.72127      0.755901 1.06576      1.08107  2.34834      1.05734  0.961195 0.380215  1.3264   0.379345  
1 1 1 72 11 14 o 0.756912 0.315877  0.449709     0.796559 0.889329     1.17674  0.0778903    1.0822   0.915279 0.383074  0.754755 0.340051  
1 1 1 72 11 15 o 1.53274  0.317114  2.98357      0.939186 1.06904      1.53979  4.11782      1.18518  0.959217 0.420386  1.77283  0.346625  
1 1 1 72 11 16 o 0.911457 0.349956  1.09098      0.898637 2.54416      1.47722  0.237297     1.13223  1.20918  0.452841  0.767984 0.346817  
1 1 1 72 11 17 o 0.976944 0.379682  1.38158      1.06485  0.74969      1.54102  1.95903      1.47314  0.887749 0.402557  1.07604  0.436868  
1 1 1 72 11 18 o 0.588469 0.286835  -1.04052     1.09343  0.574949     1.63153  -2.35775     1.47325  0.844698 0.394073  0.593398 0.296622  
1 1 1 72 11 19 o 1.49233  0.388344  3.60575      1.17006  4.47604      1.61703  2.64934      1.69515  1.45516  0.479403  1.06177  0.4527    
1 1 1 72 11 20 o 0.716666 0.322968  0.439943     0.976789 0.311236     1.49428  0.535976     1.29074  0.758335 0.361026  0.764725 0.354339  
1 1 1 72 11 21 o 0.660949 0.31162   -0.00800421  1.08471  0.0669979    1.50438  -0.089219    1.56545  0.722655 0.34853   0.716384 0.347647  
1 1 1 72 12 0  o 1.66926  0.301419  3.18422      0.908093 3.18422      0.908093 3.18422      0.908093 1.73393  0.190403  ?        ?         
1 1 1 72 12 1  o 3.16726  0.117634  10.2209      0.745154 9.78512      1.10148  10.5886      1.01183  3.06103  0.17992   3.19972  0.158112  
1 1 1 72 12 2  o 3.13472  0.117424  10.0132      0.736186 10.1802      1.04766  9.85023      1.03471  3.13068  0.167321  3.07903  0.168025  
1 1 1 72 12 3  o 2.42609  0.136412  6.03948      0.661898 6.09644      0.915121 5.97698      0.958517 2.40888  0.189948  2.37796  0.201541  
1 1 1 72 12 4  f 0.642846 0.278491  0.0525085    0.660403 0.337225     0.934372 -0.231695    0.93353  0.799828 0.338355  0.692507 0.313708  
1 1 1 72 12 5  o 0.615766 0.276742  -0.169831    0.712315 -0.282493    0.982594 -0.0450463   1.03411  0.700317 0.318687  0.755291 0.336593  
1 1 1 72 12 6  o 1.33352  0.258069  2.00745      0.663714 3.08286      0.854718 0.374029     1.05338  1.67435  0.255239  0.833838 0.35623   
1 1 1 72 12 7  o 2.72028  0.132623  7.60675      0.721546 7.53528      0.905019 7.73143      1.19536  2.68477  0.168547  2.6759   0.223357  
1 1 1 72 12 8  o 2.47922  0.171185  6.44758      0.848809 6.59664      1.16514  6.27901      1.23906  2.45459  0.237339  2.3733   0.261042  
1 1 1 72 12 9  o 0.926808 0.33502   0.989442     0.798912 1.12073      1.08637  0.834815     1.17897  0.986266 0.383458  0.934437 0.386762  
1 1 1 72 12 10 o 1.40134  0.30625   2.36438      0.834666 2.2286       1.1534   2.51366      1.20937  1.28019  0.40381   1.3535   0.410842  
1 1 1 72 12 11 o 1.10882  0.345421  1.5619       0.847473 0.802428     1.10011  2.67046      1.32912  0.908959 0.374675  1.36652  0.433729  
1 1 1 72 12 12 o 1.11683  0.336919  1.5847       0.814995 1.2066       1.08763  2.06885      1.23075  0.992776 0.384155  1.20971  0.417887  
1 1 1 72 12 13 o 1.47595  0.300118  2.66816      0.855126 4.48221      1.19293  0.750819     1.22642  1.91953  0.310737  0.893661 0.383166  
1 1 1 72 12 14 o 0.572208 0.274526  -0.808619    0.903491 -1.86203     1.22474  0.44911      1.33825  0.581982 0.287411  0.846329 0.379874  
1 1 1 72 12 15 o 0.860419 0.357002  0.851616     1.00838  2.29059      1.52585  -0.264113    1.34359  1.14822  0.452495  0.745593 0.350162  
1 1 1 72 12 16 o 0.732604 0.333525  0.104956     1.07878  2.68191      1.67329  -1.72803     1.41123  1.19059  0.472375  0.631434 0.311035  
1 1 1 72 12 17 o 0.517632 0.258194  -1.99086     1.08762  -2.46104     1.5052   -1.47716     1.57331  0.598598 0.299299  0.671494 0.33073   
1 1 1 72 12 18 o 1.24299  0.373049  2.48717      1.00089  5.52002      1.67445  0.801139     1.24848  1.69184  0.475319  0.814403 0.366176  
1 1 1 72 12 19 o 1.28072  0.372057  2.70916      1.00933  2.63181      1.58603  2.76181      1.3085   1.0475   0.441864  1.15374  0.42736   
1 1 1 72 12 20 f 0.559589 0.271465  -0.717228    0.95311  -2.38191     1.46146  0.514773     1.25727  0.565165 0.284577  0.754216 0.349563  
1 1 1 72 12 21 o 0.761204 0.342175  1.01784      1.08954  0.0955494    1.50975  2.02022      1.57394  0.678197 0.331887  0.853036 0.393735  
1 1 1 72 13 0  o 1.05952  0.436443  1.73138      0.911434 1.73138      0.911434 1.73138      0.911434 1.17684  0.317451  ?        ?         
1 1 1 72 13 1  o 2.76562  0.129816  7.84323      0.718045 8.54241      1.05077  7.2307       0.983503 2.85082  0.184292  2.62048  0.187657  
1 1 1 72 13 2  o 0.93427  0.301383  1.002        0.639844 0.348584     0.887221 1.71015      0.923629 0.785327 0.330839  1.17658  0.35942   
1 1 1 72 13 3  o 4.36338  0.11046   19.3977      0.963955 18.135       1.46627  20.3588      1.27926  4.15991  0.176239  4.4415   0.144012  
1 1 1 72 13 4  o 1.70607  0.202608  3.09882      0.691325 3.76126      0.989243 2.46646      0.966515 1.83695  0.269263  1.41965  0.343609  
1 1 1 72 13 5  o 1.10592  0.285923  1.43337      0.636902 1.29008      0.851325 1.61551      0.959836 1.03383  0.347848  1.13493  0.369351  
1 1 1 72 13 6  o 0.962251 0.327011  1.0893       0.75239  0.0477029    1.20385  1.75693      0.963816 0.806432 0.36117   1.17475  0.368853  
1 1 1 72 13 7  o 1.6719   0.228821  3.05441      0.765132 2.62717      1.16428  3.37919      1.01512  1.40477  0.396892  1.6819   0.313455  
1 1 1 72 13 8  o 0.866381 0.330748  0.799583     0.798946 0.718351     1.13934  0.878174     1.12066  0.901797 0.377151  0.932029 0.380151  
1 1 1 72 13 9  o 1.56061  0.290385  2.87297      0.872512 2.24124      1.25058  3.47213      1.21791  1.26651  0.421597  1.63454  0.379514  
1 1 1 72 13 10 o 2.3306   0.195062  5.83044      0.909224 5.79677      1.32199  5.86067      1.25249  2.22593  0.296953  2.2594   0.277174  
1 1 1 72 13 11 f 1.1165   0.357941  1.63281      0.903545 0.815924     1.22902  2.59363      1.3329   0.918815 0.388341  1.32642  0.435252  
1 1 1 72 13 12 o 0.815187 0.335078  0.635587     0.877427 0.346293     1.27387  0.896733     1.21031  0.832689 0.372263  0.916099 0.386193  
1 1 1 72 13 13 o 0.623642 0.293161  -0.496256    0.946305 -0.0731924   1.40799  -0.844804    1.27799  0.790218 0.367658  0.680249 0.326394  
1 1 1 72 13 14 o 0.986518 0.376751  1.38339      1.03697  0.0800072    1.62956  2.27033      1.34426  0.829876 0.389     1.17128  0.4333    
1 1 1 72 13 15 o 1.15348  0.37152   1.952        0.972576 1.96321      1.44857  1.9428       1.31236  1.08204  0.435697  1.0911   0.422027  
1 1 1 72 13 16 o 0.97849  0.367027  1.42256      0.97115  1.91029      1.55664  1.11175      1.24264  1.03748  0.4377    0.905458 0.386872  
1 1 1 72 13 17 o 1.53932  0.344632  3.44563      1.03438  4.22551      1.74187  3.0208       1.2856   1.35548  0.49422   1.27584  0.427459  
1 1 1 72 13 18 o 0.754318 0.32939   0.672986     0.938272 1.08504      1.46671  0.38755      1.22073  0.841598 0.385015  0.739719 0.343459  
1 1 1 72 13 19 o 0.605974 0.289291  -0.363546    0.972383 -0.127739    1.53904  -0.520219    1.25449  0.725732 0.350585  0.649689 0.31431   
1 1 1 72 13 20 o 0.831834 0.348811  1.2549       0.978681 1.26258      1.47326  1.24883      1.30933  0.803572 0.374725  0.807008 0.367409  
1 1 1 72 14 0  o 4.49663  0.13444   20.5738      1.20661  20.5738      1.20661  20.5738      1.20661  4.51617  0.0945542 ?        ?         
1 1 1 72 14 1  o 1.74126  0.199045  3.23075      0.693177 2.81095      1.0058   3.61053      0.956652 1.51544  0.340221  1.79688  0.266198  
1 1 1 72 14 2  o 2.26835  0.147223  5.33204      0.667906 5.86749      0.923258 4.74415      0.967412 2.34694  0.196694  2.08557  0.23193   
1 1 1 72 14 3  o 1.4889   0.227038  2.41175      0.676071 2.86484      0.972918 1.98866      0.940142 1.53838  0.326141  1.25359  0.357443  
1 1 1 72 14 4  o 2.39236  0.159919  5.97997      0.765168 5.49208      1.13186  6.39061      1.03839  2.21992  0.254934  2.43226  0.213462  
1 1 1 72 14 5  o 0.744258 0.308454  0.384097     0.75144  0.958027     1.16743  -0.0218947   0.981885 0.956178 0.388671  0.728751 0.326284  
1 1 1 72 14 6  o 2.73267  0.150247  7.77784      0.82115  6.95208      1.2778   8.35874      1.07174  2.49035  0.256551  2.79839  0.191493  
1 1 1 72 14 7  o 2.12109  0.18664   4.79316      0.791761 5.16434      1.22612  4.52768      1.03694  2.1127   0.290178  2.00659  0.258384  
1 1 1 72 14 8  f 2.27346  0.182359  5.49781      0.829171 4.90995      1.32074  5.88025      1.06527  2.01927  0.327034  2.31055  0.230523  
1 1 1 72 14 9  o 2.22333  0.195315  5.31322      0.868499 4.63972      1.32317  5.82303      1.1512   1.91251  0.359153  2.27396  0.253126  
1 1 1 72 14 10 o 2.165    0.195872  5.07335      0.848128 5.72337      1.32487  4.622        1.10399  2.18637  0.302983  1.99176  0.277138  
1 1 1 72 14 11 o 1.69451  0.264293  3.34158      0.895695 2.7047       1.37219  3.8144       1.18232  1.31244  0.441619  1.69838  0.359139  
1 1 1 72 14 12 o 2.8637   0.169934  8.8026       0.973283 8.04568      1.50436  9.34753      1.27642  2.5718   0.292472  2.88392  0.2213    
1 1 1 72 14 13 o 0.654419 0.30179   -0.176667    0.921997 0.258776     1.50257  -0.439636    1.16767  0.831473 0.384134  0.686572 0.323589  
1 1 1 72 14 14 o 2.44866  0.211312  6.74589      1.03486  6.68974      1.59742  6.7865       1.35847  2.21677  0.360302  2.3457   0.289566  
1 1 1 72 14 15 o 0.889783 0.353702  1.07592      0.939795 1.44504      1.50893  0.842005     1.20122  0.965565 0.419667  0.856618 0.373392  
1 1 1 72 14 16 o 0.607353 0.289587  -0.416201    0.966589 -1.48807     1.51416  0.321028     1.25575  0.64028  0.317012  0.754763 0.349638  
1 1 1 72 14 17 o 0.628754 0.296658  -0.202828    0.986499 1.86473      1.64978  -1.35353     1.23077  0.937819 0.421338  0.579963 0.286824  
1 1 1 72 14 18 o 1.72784  0.283     3.92681      0.977959 5.34227      1.54818  2.987        1.26151  1.69873  0.448874  1.24545  0.423436  
1 1 1 72 14 19 o 0.582904 0.282016  -0.51273     1.0105   -3.10643     1.59399  1.23001      1.3066   0.546673 0.278261  0.823524 0.372197  
1 1 1 72 15 0  o 0.841259 0.436755  1.2409       0.941526 1.2409       0.941526 1.2409       0.941526 0.899935 0.373413  ?        ?         
1 1 1 72 15 1  o 2.12566  0.15595   4.7196       0.662994 4.53721      0.912053 4.92398      0.965454 2.03879  0.223676  2.12074  0.227622  
1 1 1 72 15 2  o 2.73992  0.133564  7.75342      0.731907 9.23716      1.07788  6.48401      0.996992 2.95023  0.182677  2.45515  0.203041  
1 1 1 72 15 3  f 2.0293   0.189181  4.39107      0.767811 5.31884      1.19729  3.743        1.00067  2.15805  0.277402  1.8113   0.276229  
1 1 1 72 15 4  o 2.92758  0.139912  8.88472      0.819209 9.94714      1.23868  8.05874      1.09218  3.03865  0.20382   2.73931  0.199352  
1 1 1 72 15 5  o 3.29827  0.130838  11.2316      0.863077 11.4497      1.2661   11.0423      1.17963  3.2703   0.193576  3.22288  0.183009  
1 1 1 72 15 6  o 1.29058  0.30257   2.0168       0.768234 1.06395      1.19449  2.68896      1.00325  0.974046 0.394224  1.456    0.348621  
1 1 1 72 15 7  o 2.24901  0.178668  5.37396      0.803653 5.59192      1.22848  5.21091      1.06256  2.20261  0.278869  2.158    0.246192  
1 1 1 72 15 8  o 2.59191  0.161027  7.08319      0.834738 7.23002      1.25788  6.96764      1.11584  2.52971  0.248622  2.51278  0.222032  
1 1 1 72 15 9  o 1.65293  0.260837  3.15408      0.86229  5.07092      1.33582  1.78478      1.12903  2.01465  0.331525  1.11921  0.398888  
1 1 1 72 15 10 o 1.44841  0.302527  2.61546      0.847825 0.338236     1.26013  4.49886      1.146    0.820124 0.368353  1.92396  0.297822  
1 1 1 72 15 11 o 0.816567 0.33281   0.715243     0.858282 1.39206      1.35903  0.266205     1.10697  0.994139 0.413589  0.772307 0.346098  
1 1 1 72 15 12 o 0.772815 0.329299  0.523467     0.895988 1.53829      1.30464  -0.382472    1.23266  1.01167  0.410994  0.70771  0.333236  
1 1 1 72 15 13 o 1.38259  0.355102  2.6724       0.986958 2.56462      1.5903   2.73992      1.25869  1.17827  0.462709  1.30045  0.422961  
1 1 1 72 15 14 o 2.31061  0.224006  6.16762      1.03518  6.68325      1.61127  5.8052       1.35086  2.132    0.392589  2.09894  0.321796  
1 1 1 72 15 15 o 0.562986 0.272759  -0.796794    0.956736 0.231544     1.55088  -1.42858     1.21561  0.778765 0.369351  0.580402 0.28656   
1 1 1 72 15 16 o 1.23854  0.36699   2.48563      0.972838 2.54493      1.61853  2.45209      1.21726  1.04122  0.443096  1.12445  0.412836  
1 1 1 72 15 17 o 1.05479  0.376828  1.9441       1.00814  1.35296      1.58613  2.34477      1.30584  0.877891 0.401103  1.07028  0.419529  
1 1 1 72 15 18 o 0.969515 0.364198  1.68622      0.956935 1.56084      1.49359  1.77352      1.24634  0.873675 0.396238  0.930542 0.392073  
1 1 1 72 15 19 o 0.66093  0.30861   0.353524     1.00337  1.76159      1.58723  -0.583662    1.29492  0.823106 0.385484  0.606411 0.298654  
1 1 1 72 16 0  f 2.2376   0.234725  5.42085      1.02399  5.42085      1.02399  5.42085      1.02399  2.28458  0.16028   ?        ?         
1 1 1 72 16 1  o 2.10285  0.180204  4.69692      0.757882 6.92124      1.19962  3.21938      0.977717 2.49693  0.240218  1.63535  0.310171  
1 1 1 72 16 2  o 1.0322   0.322571  1.31702      0.738279 1.0182       1.1712   1.51405      0.95102  0.961933 0.389933  1.08324  0.367651  
1 1 1 72 16 3  o 0.938795 0.32467   1.05743      0.743094 -0.0331471   1.12795  1.89373      0.987738 0.762562 0.345169  1.19723  0.372902  
1 1 1 72 16 4  o 1.16352  0.312179  1.66891      0.741705 2.03994      1.15257  1.40665      0.96901  1.21503  0.404738  1.04702  0.369904  
1 1 1 72 16 5  o 1.6958   0.229953  3.18365      0.779909 2.54677      1.16002  3.709        1.05357  1.35619  0.400439  1.74672  0.312911  
1 1 1 72 16 6  o 1.24295  0.318267  1.94147      0.794616 1.11206      1.28549  2.45437      1.01088  0.975322 0.403781  1.35833  0.36445   
1 1 1 72 16 7  o 0.883254 0.333903  0.922588     0.807692 1.68763      1.203    0.294681     1.08986  1.08883  0.40848   0.789771 0.349354  
1 1 1 72 16 8  o 0.906965 0.335487  1.02265      0.805814 0.157427     1.17807  1.7834       1.10466  0.780107 0.352951  1.11114  0.394706  
1 1 1 72 16 9  o 1.32249  0.319296  2.26391      0.836185 0.888932     1.20271  3.5504       1.16336  0.896815 0.38181   1.60952  0.369073  
1 1 1 72 16 10 o 0.8481   0.33979   0.849422     0.874788 0.365335     1.29815  1.25211      1.18399  0.816077 0.369797  0.957132 0.390626  
1 1 1 72 16 11 o 0.93511  0.351538  1.18292      0.891893 1.59583      1.35702  0.86892      1.18339  1.01974  0.417522  0.877733 0.376361  
1 1 1 72 16 12 o 0.763098 0.331262  0.465547     0.938006 1.93451      1.39288  -0.753456    1.26886  1.07491  0.429551  0.673047 0.323492  
1 1 1 72 16 13 o 1.79842  0.264524  3.95799      0.951448 2.87102      1.41488  4.85527      1.28551  1.24255  0.446168  1.852    0.359904  
1 1 1 72 16 14 o 0.493351 0.245103  -1.51005     0.932888 -2.50177     1.36124  -0.631776    1.28102  0.549079 0.27629   0.656957 0.317789  
1 1 1 72 16 15 o 0.910812 0.360796  1.37509      0.974733 1.49068      1.56411  1.30169      1.24634  0.895622 0.405874  0.877846 0.381472  
1 1 1 72 16 16 o 1.05712  0.376696  1.95299      1.00686  1.35338      1.59598  2.34942      1.29769  0.877245 0.401448  1.07276  0.418684  
1 1 1 72 16 17 o 0.910643 0.363151  1.46763      0.993578 0.852549     1.60211  1.85204      1.26656  0.800048 0.377646  0.948726 0.397272  
1 1 1 72 16 18 o 0.677609 0.310767  0.496442     0.962224 0.737089     1.56328  0.34966      1.2209   0.729344 0.352503  0.677607 0.323648  
1 1 1 72 17 0  o 0.465825 0.328481  -0.786675    1.12758  -0.786675    1.12758  -0.786675    1.12758  0.373569 0.266273  ?        ?         
1 1 1 72 17 1  o 1.19224  0.342879  1.84334      0.861473 0.938566     1.26902  2.61667      1.17322  0.942596 0.396315  1.3655   0.402561  
1 1 1 72 17 2  o 1.8645   0.219788  3.83538      0.819587 4.72635      1.35199  3.31773      1.03053  1.90394  0.368193  1.62908  0.32781   
1 1 1 72 17 3  o 1.80841  0.223586  3.62863      0.80867  4.10448      1.27699  3.31005      1.04488  1.75781  0.374372  1.61652  0.334509  
1 1 1 72 17 4  o 2.54906  0.167497  6.91006      0.853924 5.58012      1.36142  7.77264      1.09641  2.12893  0.319742  2.66328  0.205839  
1 1 1 72 17 5  o 0.709701 0.306106  0.269354     0.791244 0.84854      1.23867  -0.129887    1.02841  0.906464 0.386745  0.704853 0.322431  
1 1 1 72 17 6  o 1.25398  0.332737  2.06668      0.848469 0.728555     1.33559  2.97213      1.09865  0.891295 0.391064  1.46808  0.373238  
1 1 1 72 17 7  o 0.733632 0.315158  0.365782     0.8325   0.518233     1.23706  0.239588     1.1255   0.838073 0.371271  0.774577 0.348003  
1 1 1 72 17 8  o 2.02727  0.220238  4.64026      0.892961 5.24164      1.33604  4.15472      1.20048  2.01543  0.331453  1.7581   0.353847  
1 1 1 72 17 9  o 1.556    0.306855  3.08553      0.92093  1.50031      1.32181  4.58089      1.2838   1.00397  0.411736  1.82859  0.363949  
1 1 1 72 17 10 o 2.883    0.170125  8.98443      0.980942 7.69245      1.39179  10.2597      1.38278  2.51928  0.276228  2.98855  0.231346  
1 1 1 72 17 11 o 0.895602 0.348004  1.07222      0.89449  2.45227      1.3607   0.0220076    1.18701  1.18852  0.436471  0.739038 0.341427  
1 1 1 72 17 12 o 2.15133  0.234941  5.49022      1.01087  3.03353      1.4051   8.12599      1.45541  1.2647   0.445569  2.52236  0.288501  
1 1 1 72 17 13 o 1.1556   0.372741  2.18494      0.978722 1.69654      1.44397  2.6          1.33115  0.951045 0.411901  1.14707  0.429812  
1 1 1 72 17 14 o 0.930412 0.362173  1.45996      0.969707 0.351107     1.46974  2.31476      1.29044  0.761871 0.360497  1.06545  0.417167  
1 1 1 72 17 15 o 0.762928 0.33345   0.695464     0.963344 0.268569     1.55811  0.959638     1.22569  0.763626 0.364946  0.821915 0.366361  
1 1 1 72 17 16 o 0.83522  0.34941   1.12883      0.978335 0.234797     1.53758  1.73701      1.26817  0.740726 0.356041  0.927879 0.393438  
1 1 1 72 17 17 o 0.593124 0.285238  -0.198585    0.989948 0.746062     1.65275  -0.727105    1.23624  0.732763 0.356101  0.587294 0.289727  
1 1 1 72 18 0  o 1.50733  0.483907  3.37043      1.28275  3.37043      1.28275  3.37043      1.28275  1.69615  0.293824  ?        ?         
1 1 1 72 18 1  o 0.847496 0.348117  0.756808     0.946386 0.198699     1.32961  1.32991      1.34735  0.814356 0.370618  0.997715 0.413237  
1 1 1 72 18 2  o 2.94049  0.176549  9.30506      1.03828  9.30833      1.4948   9.30201      1.44324  2.81905  0.265126  2.83426  0.254607  
1 1 1 72 18 3  o 0.827807 0.337935  0.723753     0.88635  -0.0691975   1.34914  1.3259       1.17567  0.780156 0.361787  0.987409 0.394617  
1 1 1 72 18 4  o 3.70067  0.147344  14.4507      1.09055  13.5105      1.63112  15.2107      1.46651  3.43909  0.237144  3.72157  0.197029  
1 1 1 72 18 5  o 1.06137  0.347404  1.54952      0.849154 1.96965      1.28045  1.2197       1.13452  1.11896  0.4211    0.954609 0.385088  
1 1 1 72 18 6  o 1.89047  0.251441  4.18445      0.950684 4.68415      1.4325   3.79114      1.2709   1.78327  0.409976  1.61338  0.39622   
1 1 1 72 18 7  o 2.62908  0.19282   7.61564      1.01388  7.57779      1.43362  7.65351      1.43407  2.48613  0.288324  2.50114  0.286683  
1 1 1 72 18 8  o 1.15843  0.347552  1.87751      0.868849 0.542972     1.30939  2.92736      1.16136  0.837348 0.375801  1.39571  0.397058  
1 1 1 72 18 9  o 0.554538 0.266404  -0.745339    0.857948 -1.22977     1.27312  -0.342319    1.16123  0.631341 0.30805   0.689846 0.324418  
1 1 1 72 18 10 o 0.504162 0.24824   -1.23025     0.869355 -1.60965     1.27941  -0.904822    1.18493  0.597609 0.294798  0.629359 0.304647  
1 1 1 72 18 11 o 0.741533 0.323053  0.540466     0.898155 0.388833     1.38841  0.649583     1.17779  0.781942 0.364304  0.794415 0.356477  
1 1 1 72 18 12 o 1.04331  0.370045  1.82528      0.9706   0.934613     1.48499  2.48955      1.28245  0.838841 0.385278  1.1275   0.421996  
1 1 1 72 18 13 o 0.673517 0.307532  0.220177     0.930763 -0.598769    1.41777  0.840482     1.2339   0.668627 0.326033  0.799277 0.361442  
1 1 1 72 18 14 o 1.07029  0.37299   1.96438      0.982335 0.662723     1.58664  2.77348      1.25092  0.803964 0.378415  1.19343  0.420418  
1 1 1 72 18 15 o 0.678528 0.312044  0.263449     0.97755  -0.606297    1.53291  0.859584     1.26909  0.67383  0.331087  0.788332 0.35966   
1 1 1 72 18 16 o 0.521356 0.257015  -0.918916    0.968465 -1.8742      1.5814   -0.345631    1.22507  0.575469 0.290298  0.614166 0.300181  
1 1 1 72 19 0  o 0.685076 0.43578   0.733283     1.27078  0.733283     1.27078  0.733283     1.27078  0.655399 0.392619  ?        ?         
1 1 1 72 19 1  o 0.547572 0.264692  -0.916703    0.882795 -1.01895     1.2576   -0.817376    1.23952  0.651546 0.31512   0.666237 0.3201    
1 1 1 72 19 2  o 1.57401  0.299464  3.11886      0.908742 3.48493      1.30838  2.77767      1.26312  1.50637  0.419173  1.32245  0.423137  
1 1 1 72 19 3  o 1.02764  0.362456  1.5036       0.930036 2.06991      1.29969  0.909282     1.33142  1.12986  0.424438  0.900153 0.392731  
1 1 1 72 19 4  o 0.782536 0.336857  0.523204     0.954604 0.883401     1.27946  0.0709294    1.4337   0.89004  0.386635  0.797953 0.371158  
1 1 1 72 19 5  o 1.47561  0.336874  2.91895      0.972709 3.29505      1.33564  2.49419      1.41942  1.43371  0.431071  1.20255  0.445172  
1 1 1 72 19 6  o 0.713569 0.319848  0.176103     0.945888 -1.09846     1.4452   1.13126      1.25108  0.684993 0.332919  0.926682 0.391745  
1 1 1 72 19 7  o 1.51353  0.311229  2.97225      0.909809 3.19855      1.46755  2.83098      1.15952  1.34306  0.456707  1.35747  0.400207  
1 1 1 72 19 8  o 0.677048 0.304795  0.125353     0.867692 0.205051     1.31724  0.0642623    1.15325  0.777801 0.359462  0.731481 0.337402  
1 1 1 72 19 9  o 1.27674  0.345073  2.38956      0.902133 2.43537      1.3648   2.35402      1.20222  1.12758  0.431758  1.15223  0.41152   
1 1 1 72 19 10 o 0.710043 0.316674  0.380191     0.916925 0.84819      1.38349  0.0135878    1.22448  0.830559 0.378008  0.710322 0.333782  
1 1 1 72 19 11 o 0.899464 0.349104  1.28611      0.899623 1.90594      1.34778  0.78806      1.20816  0.980226 0.410094  0.798826 0.359635  
1 1 1 72 19 12 o 0.638613 0.300893  -0.139583    1.00812  -0.102824    1.55078  -0.166487    1.3267   0.725853 0.350863  0.692159 0.332217  
1 1 1 72 19 13 o 0.993103 0.375772  1.73831      1.02372  0.818781     1.62738  2.34047      1.31693  0.818398 0.384635  1.06473  0.420129  
1 1 1 72 19 14 o 0.860142 0.355428  1.28896      0.993112 0.843613     1.605    1.56525      1.26418  0.788684 0.374852  0.885377 0.38446   
1 1 1 72 19 15 o 0.542413 0.264765  -0.604504    0.943877 -1.66643     1.48944  0.108151     1.22016  0.571286 0.287583  0.653493 0.314856  
1 1 1 72 20 0  o 2.2576   0.323513  6.06304      1.37368  6.06304      1.37368  6.06304      1.37368  2.3675   0.20888   ?        ?         
1 1 1 72 20 1  o 1.21447  0.360956  2.1114       0.940137 1.59127      1.28043  2.71979      1.38481  1.01738  0.409642  1.25879  0.442456  
1 1 1 72 20 2  o 0.967194 0.366485  1.32596      0.974893 2.05623      1.3037   0.399567     1.46836  1.11566  0.423493  0.836627 0.38378   
1 1 1 72 20 3  o 1.68834  0.306484  3.64817      0.996756 4.28403      1.29553  2.72575      1.56038  1.72522  0.385298  1.21348  0.462525  
1 1 1 72 20 4  o 0.860441 0.348904  0.921873     0.938113 1.3389       1.23789  0.35926      1.43783  0.960768 0.396903  0.823439 0.378584  
1 1 1 72 20 5  o 0.673289 0.309495  -0.065626    0.96044  -0.570739    1.31556  0.510859     1.40543  0.697021 0.333646  0.833727 0.379863  
1 1 1 72 20 6  o 0.930989 0.364296  1.27987      0.983756 2.22468      1.39987  0.357995     1.38277  1.10094  0.433555  0.798479 0.368742  
1 1 1 72 20 7  o 0.783003 0.33696   0.704351     0.954651 1.4141       1.39638  0.0815089    1.3081   0.925599 0.403026  0.739532 0.346988  
1 1 1 72 20 8  o 1.56334  0.314035  3.357        0.947326 2.32599      1.35199  4.35142      1.32778  1.08442  0.426385  1.6256   0.408548  
1 1 1 72 20 9  o 0.840149 0.341042  1.0413       0.8976   2.49642      1.39769  0.0199316    1.17099  1.09147  0.432141  0.695598 0.326732  
1 1 1 72 20 10 o 1.09303  0.358615  1.96763      0.904844 0.883666     1.29517  3.00113      1.26466  0.808908 0.367509  1.23704  0.423964  
1 1 1 72 20 11 o 0.524243 0.257559  -1.04642     0.927233 -0.321802    1.473    -1.522       1.19333  0.701515 0.33959   0.559138 0.277708  
1 1 1 72 20 12 o 0.553884 0.271074  -0.937317    1.0077   -1.07843     1.51146  -0.824403    1.35204  0.647572 0.319678  0.638515 0.312843  
1 1 1 72 20 13 o 0.769927 0.335648  0.904586     0.970906 1.08866      1.66603  0.809922     1.19476  0.796208 0.379765  0.757986 0.347068  
1 1 1 72 20 14 o 1.05778  0.372972  2.25103      0.984714 3.35975      1.6321   1.61643      1.23478  1.01681  0.439114  0.84043  0.371798  
1 1 1 72 21 0  o 0.988035 0.537467  2.2554       1.47902  2.2554       1.47902  2.2554       1.47902  1.14267  0.466963  ?        ?         
1 1 1 72 21 1  o 1.0006   0.378273  1.56712      1.03664  1.40337      1.35078  1.80176      1.61689  0.948699 0.404288  1.00445  0.43546   
1 1 1 72 21 2  o 1.03218  0.377209  1.69061      1.01521  1.67821      1.38383  1.70507      1.49394  0.9908   0.415089  0.989116 0.423454  
1 1 1 72 21 3  o 0.65318  0.304198  -0.118447    0.966892 -1.25505     1.32512  1.17569      1.41398  0.626377 0.307791  0.899037 0.397777  
1 1 1 72 21 4  o 1.48961  0.343512  3.20462      1.0032   3.48493      1.38215  2.89254      1.4584   1.36845  0.443107  1.1935   0.449359  
1 1 1 72 21 5  o 0.96035  0.363708  1.48637      0.959771 0.608831     1.26758  2.66542      1.46929  0.793836 0.361437  1.13132  0.444602  
1 1 1 72 21 6  o 2.13043  0.247317  5.57697      1.05378  6.13977      1.42139  4.89012      1.57025  2.06517  0.344134  1.59803  0.464007  
1 1 1 72 21 7  o 1.90159  0.285594  4.75613      1.08617  3.88058      1.48261  5.77041      1.59576  1.3724   0.459045  1.78678  0.447175  
1 1 1 72 21 8  o 0.970085 0.372046  1.65578      1.01473  3.24581      1.41402  -0.0324876   1.45704  1.23138  0.445647  0.722752 0.347205  
1 1 1 72 21 9  o 0.773551 0.337439  0.756935     0.982574 0.34166      1.31174  1.28782      1.48313  0.743693 0.348675  0.866833 0.393678  
1 1 1 72 21 10 f 0.568684 0.274305  -0.602706    0.932572 -0.322258    1.27669  -0.923527    1.3655   0.672133 0.323403  0.638215 0.313233  
1 1 1 72 21 11 o 0.776334 0.341898  0.828673     1.0287   0.375092     1.49484  1.23671      1.4178   0.749346 0.357963  0.840994 0.382733  
1 1 1 72 21 12 o 0.759658 0.338779  0.94394      1.04925  0.625051     1.70284  1.13911      1.33219  0.73698  0.358994  0.78014  0.360907  
1 1 1 72 22 0  o 0.577085 0.401101  -0.0572506   1.54189  -0.0572506   1.54189  -0.0572506   1.54189  0.511587 0.350812  ?        ?         
1 1 1 72 22 1  o 0.864773 0.369768  1.14735      1.1367   0.99665      1.75298  1.25669      1.49317  0.858204 0.402491  0.883107 0.398571  
1 1 1 72 22 2  o 0.53977  0.266473  -1.34118     1.05053  -0.269827    1.58987  -2.17145     1.39961  0.73135  0.35382   0.572841 0.28642   
1 1 1 72 22 3  o 1.06285  0.392376  2.03407      1.10119  1.52033      1.59396  2.50314      1.52309  0.909228 0.411004  1.06633  0.440368  
1 1 1 72 22 4  o 0.846181 0.357281  1.09011      1.03856  0.449054     1.42075  1.82575      1.52196  0.772561 0.362329  0.949331 0.416986  
1 1 1 72 22 5  o 1.04526  0.379665  1.93621      1.02711  1.50127      1.37946  2.47733      1.53866  0.902358 0.396666  1.04097  0.436973  
1 1 1 72 22 6  o 2.16498  0.260571  5.9817       1.12826  3.38713      1.51114  9.24998      1.69603  1.21592  0.457488  2.51611  0.337033  
1 1 1 72 22 7  o 0.826265 0.362251  1.00978      1.14421  -0.261769    1.62788  2.25142      1.60862  0.725689 0.352898  0.992923 0.432458  
1 1 1 72 22 8  o 1.87635  0.311971  4.88105      1.17074  4.36863      1.5586   5.54451      1.77348  1.43374  0.470662  1.57506  0.501126  
1 1 1 72 22 9  o 1.47083  0.368191  3.48287      1.08163  2.96889      1.39625  4.25421      1.71045  1.15109  0.43788   1.28434  0.485795  
1 1 1 72 22 10 o 0.627046 0.303127  -0.301933    1.15844  -0.893748    1.54805  0.451225     1.74637  0.639538 0.317457  0.745351 0.363158  
1 1 1 72 22 11 o 0.83151  0.362204  1.45461      1.12874  0.177872     1.75746  2.35102      1.47261  0.699157 0.34504   0.910859 0.404099  
1 1 1 72 23 0  o 0.617366 0.422603  0.410986     1.56716  0.410986     1.56716  0.410986     1.56716  0.573148 0.380654  ?        ?         
1 1 1 72 23 1  o 0.654151 0.309383  -0.127835    1.08139  -1.35817     1.4989   1.20765      1.56165  0.629608 0.312508  0.853194 0.393193  
1 1 1 72 23 2  o 0.554469 0.27311   -1.12054     1.0633   -0.422715    1.5237   -1.78295     1.48453  0.698148 0.339991  0.603264 0.301012  
1 1 1 72 23 3  o 0.84991  0.362858  1.1489       1.09167  0.465012     1.56484  1.7973       1.5237   0.778979 0.370189  0.934203 0.413182  
1 1 1 72 23 4  f 0.687754 0.320847  0.121102     1.08145  1.67268      1.49815  -1.56708     1.5627   0.921553 0.408373  0.631881 0.31438   
1 1 1 72 23 5  o 0.984542 0.385075  1.75413      1.09892  0.273177     1.49814  3.4791       1.61685  0.759816 0.361618  1.21049  0.468388  
1 1 1 72 23 6  o 0.888719 0.368322  1.35496      1.07142  1.23267      1.51808  1.47633      1.51237  0.854458 0.391233  0.884618 0.400088  
1 1 1 72 23 7  o 0.804505 0.357111  0.975699     1.15218  0.507061     1.62827  1.44567      1.63058  0.770991 0.369567  0.862386 0.399082  
1 1 1 72 23 8  o 1.16395  0.390701  2.63202      1.074    1.47789      1.40165  4.27325      1.67147  0.841428 0.382292  1.22744  0.475967  
1 1 1 72 23 9  o 0.482776 0.242924  -1.75581     1.04864  -1.0888      1.3613   -2.72922     1.64451  0.583508 0.290744  0.550562 0.280411  
1 1 1 72 24 0  o 0.783385 0.491685  1.62651      1.56312  1.62651      1.56312  1.62651      1.56312  0.843225 0.462922  ?        ?         
1 1 1 72 24 1  o 0.659767 0.311089  -0.065842    1.08144  0.689566     1.52815  -0.823711    1.53063  0.792293 0.37247   0.667162 0.328632  
1 1 1 72 24 2  o 0.861302 0.363142  1.24273      1.07037  0.160413     1.48945  2.39861      1.53924  0.736835 0.353259  1.00997  0.431019  
1 1 1 72 24 3  o 1.23629  0.398858  2.80896      1.12063  2.84867      1.56209  2.76687      1.60856  1.07299  0.444715  1.04726  0.443534  
1 1 1 72 24 4  o 0.71637  0.329447  0.439692     1.08964  1.57706      1.52669  -0.741265    1.55567  0.875312 0.398032  0.665698 0.32786   
1 1 1 72 24 5  o 0.575021 0.281889  -0.800843    1.10044  1.07941      1.61642  -2.42511     1.50236  0.797866 0.377778  0.556664 0.281254  
1 1 1 72 24 6  o 0.960325 0.388055  2.07132      1.15483  3.83366      1.68512  0.510678     1.58576  1.09639  0.458614  0.723312 0.35066   
1 1 1 72 24 7  f 0.902451 0.373204  1.79102      1.09629  0.320555     1.45461  3.72449      1.66797  0.691227 0.335337  1.06012  0.450435  
1 1 1 72 25 0  o 2.11408  0.487608  7.17971      1.79198  7.17971      1.79198  7.17971      1.79198  2.43379  0.267711  ?        ?         
1 1 1 72 25 1  o 0.86259  0.370643  1.61045      1.15189  0.358259     1.62076  2.88853      1.63742  0.70853  0.346062  0.959435 0.425822  
1 1 1 72 25 2  o 0.898489 0.376577  1.82193      1.13977  2.75591      1.61106  0.886053     1.61269  0.93699  0.418774  0.742254 0.35862   
1 1 1 72 25 3  o 0.553907 0.275142  -1.07493     1.17308  -1.50612     1.71668  -0.697188    1.60675  0.609158 0.307078  0.637169 0.317257  
1 1 1 72 25 4  o 1.21835  0.412048  3.25717      1.19458  3.27566      1.72399  3.24009      1.65679  0.977725 0.435191  0.992078 0.435418  
1 1 1 73 0  0  o 0.485693 0.345224  -1.33145     1.31378  -1.33145     1.31378  -1.33145     1.31378  0.376296 0.271811  ?        ?         
1 1 1 73 0  1  o 2.29218  0.210235  5.46903      0.945152 5.46903      0.945152 5.46903      0.945152 2.31604  0.145601  ?        ?         
1 1 1 73 0  2  o 2.14585  0.207844  4.80433      0.872788 4.80433      0.872788 4.80433      0.872788 2.16958  0.143675  ?        ?         
1 1 1 73 0  3  o 0.467326 0.314817  -0.235297    0.816252 -0.235297    0.816252 -0.235297    0.816252 0.382401 0.260045  ?        ?         
1 1 1 73 0  4  o 3.91835  0.1273    15.4955      0.995226 15.4955      0.995226 15.4955      0.995226 3.92742  0.0896976 ?        ?         
1 1 1 73 0  5  o 0.639271 0.379616  0.528481     0.828014 0.528481     0.828014 0.528481     0.828014 0.599578 0.333841  ?        ?         
1 1 1 73 0  6  o 3.62137  0.136912  13.2637      0.988397 13.2637      0.988397 13.2637      0.988397 3.63169  0.0963761 ?        ?         
1 1 1 73 0  7  o 2.50823  0.176963  6.45877      0.877577 6.45877      0.877577 6.45877      0.877577 2.52507  0.12355   ?        ?         
1 1 1 73 0  8  o 0.711261 0.39953   0.759805     0.848643 0.759805     0.848643 0.759805     0.848643 0.699633 0.351826  ?        ?         
1 1 1 73 0  9  o 0.516232 0.344688  -0.147199    0.935629 -0.147199    0.935629 -0.147199    0.935629 0.429493 0.287544  ?        ?         
1 1 1 73 0  10 o 0.48994  0.328448  -0.186005    0.869022 -0.186005    0.869022 -0.186005    0.869022 0.404854 0.272861  ?        ?         
1 1 1 73 0  11 o 4.32595  0.13414   18.9204      1.15804  18.9204      1.15804  18.9204      1.15804  4.33788  0.0944858 ?        ?         
1 1 1 73 0  12 o 2.64587  0.185761  7.22302      0.97187  7.22302      0.97187  7.22302      0.97187  2.66712  0.129527  ?        ?         
1 1 1 73 0  13 o 0.357341 0.258764  -1.41428     0.898012 -1.41428     0.898012 -1.41428     0.898012 0.269416 0.198735  ?        ?         
1 1 1 73 0  14 o 1.33557  0.39327   2.31341      0.91184  2.31341      0.91184  2.31341      0.91184  1.44259  0.244594  ?        ?         
1 1 1 73 0  15 o 0.738972 0.417542  0.86898      0.933628 0.86898      0.933628 0.86898      0.933628 0.736133 0.369209  ?        ?         
1 1 1 73 0  16 o 1.53777  0.362149  2.87722      0.966612 2.87722      0.966612 2.87722      0.966612 1.63073  0.218281  ?        ?         
1 1 1 73 0  17 o 0.403868 0.288481  -1.0119      0.949934 -1.0119      0.949934 -1.0119      0.949934 0.313013 0.226625  ?        ?         
1 1 1 73 0  18 o 1.80569  0.367303  3.91916      1.17358  3.91916      1.17358  3.91916      1.17358  1.90459  0.224973  ?        ?         
1 1 1 73 0  19 o 1.66943  0.428791  3.63233      1.23535  3.63233      1.23535  3.63233      1.23535  1.8068   0.256584  ?        ?         
1 1 1 73 0  20 o 0.952263 0.496691  1.69001      1.2219   1.69001      1.2219   1.69001      1.2219   1.03868  0.424432  ?        ?         
1 1 1 73 0  21 o 1.62337  0.475864  3.74588      1.34054  3.74588      1.34054  3.74588      1.34054  1.80415  0.283696  ?        ?         
1 1 1 73 0  22 o 0.424314 0.307633  -1.67338     1.2813   -1.67338     1.2813   -1.67338     1.2813   0.330559 0.2429    ?        ?         
1 1 1 73 0  23 o 0.721185 0.460153  0.911003     1.42644  0.911003     1.42644  0.911003     1.42644  0.702364 0.41812   ?        ?         
1 1 1 73 0  24 o 0.41427  0.30417   -2.05235     1.39874  -2.05235     1.39874  -2.05235     1.39874  0.325568 0.241161  ?        ?         
1 1 1 73 0  25 o 0.617693 0.416675  0.506465     1.43862  0.506465     1.43862  0.506465     1.43862  0.579567 0.3769    ?        ?         
1 1 1 73 0  26 o 0.601271 0.408522  0.431363     1.42013  0.431363     1.42013  0.431363     1.42013  0.560043 0.368305  ?        ?         
1 1 1 73 1  0  o 3.5403   0.154794  12.7182      1.09127  12.7182      1.09127  12.7182      1.09127  3.55335  0.108811  ?        ?         
1 1 1 73 1  1  o 3.54285  0.103209  12.6531      0.731308 12.131       1.09351  13.0756      0.983645 3.45024  0.158469  3.59054  0.136977  
1 1 1 73 1  2  o 1.72706  0.183881  3.05931      0.635147 2.10176      0.940815 3.86121      0.860955 1.36395  0.34457   1.92881  0.223183  
1 1 1 73 1  3  o 1.53982  0.190309  2.43644      0.586083 2.11054      0.814924 2.7856       0.843508 1.38121  0.303255  1.62787  0.259084  
1 1 1 73 1  4  o 3.51024  0.0976221 12.4116      0.685354 12.6959      0.984314 12.144       0.95483  3.53701  0.139145  3.45969  0.137994  
1 1 1 73 1  5  o 2.9866   0.110291  9.00318      0.658789 10.1098      0.968482 8.05016      0.898758 3.15107  0.153675  2.80975  0.159936  
1 1 1 73 1  6  o 0.706524 0.279582  0.332821     0.584738 0.658995     0.851837 0.0421687    0.804115 0.887442 0.340725  0.718132 0.309151  
1 1 1 73 1  7  o 2.62766  0.121532  6.98924      0.638688 7.02811      0.94645  6.95674      0.865456 2.61583  0.180908  2.60798  0.165924  
1 1 1 73 1  8  o 1.46329  0.208129  2.22228      0.609105 0.913355     0.853819 3.57878      0.869195 0.958635 0.346359  1.84777  0.235202  
1 1 1 73 1  9  o 0.921356 0.30155   0.903049     0.639789 0.839036     0.901771 0.967929     0.907855 0.945392 0.353859  0.983781 0.356982  
1 1 1 73 1  10 o 2.57413  0.129071  6.72742      0.664491 6.89422      0.925337 6.54982      0.954822 2.58798  0.178776  2.51803  0.189597  
1 1 1 73 1  11 o 1.98571  0.162723  4.04852      0.646242 3.57064      0.8822   4.60191      0.949339 1.83724  0.240088  2.09186  0.226912  
1 1 1 73 1  12 o 3.51224  0.111105  12.5025      0.780454 12.9198      1.06718  12.0227      1.14431  3.55071  0.150277  3.41522  0.167532  
1 1 1 73 1  13 o 2.24894  0.150809  5.19301      0.67832  4.32635      0.952235 6.08583      0.966502 2.01494  0.236294  2.41069  0.200462  
1 1 1 73 1  14 o 1.32645  0.257988  1.95438      0.659995 2.49406      0.915972 1.37165      0.951806 1.4661   0.321178  1.08705  0.367803  
1 1 1 73 1  15 o 0.802566 0.301604  0.608186     0.656395 0.195501     0.93175  1.01478      0.924854 0.7753   0.333249  0.974022 0.359589  
1 1 1 73 1  16 o 0.669276 0.285588  0.136072     0.675611 -0.117028    0.931685 0.416761     0.98115  0.711743 0.318273  0.830064 0.348714  
1 1 1 73 1  17 o 1.88705  0.203508  3.79336      0.768059 5.02153      1.10637  2.65083      1.06709  2.13008  0.259702  1.45492  0.366615  
1 1 1 73 1  18 o 1.38737  0.320999  2.34321      0.87371  3.34078      1.31871  1.56267      1.16647  1.5721   0.413753  1.10028  0.404116  
1 1 1 73 1  19 o 0.83093  0.333286  0.653641     0.842973 1.04868      1.31767  0.379945     1.09678  0.986269 0.408588  0.825683 0.358313  
1 1 1 73 1  20 o 1.95148  0.224642  4.21441      0.876768 4.45269      1.21068  3.95161      1.27143  1.91761  0.315674  1.72554  0.378729  
1 1 1 73 1  21 o 1.37551  0.333935  2.48596      0.910736 2.79623      1.2385   2.12064      1.3439   1.35792  0.416482  1.15759  0.432239  
1 1 1 73 1  22 o 1.25585  0.377201  2.30819      1.02303  1.63395      1.57419  2.80114      1.34602  1.02228  0.436068  1.29802  0.437388  
1 1 1 73 1  23 o 0.504475 0.250895  -1.75459     0.990537 -0.520863    1.3993   -2.99371     1.40236  0.714513 0.34252   0.549404 0.27707   
1 1 1 73 1  24 o 0.682164 0.313997  0.146309     0.992266 0.851728     1.38892  -0.589041    1.41808  0.823947 0.376002  0.679996 0.330268  
1 1 1 73 1  25 o 1.11789  0.383689  2.19374      1.03613  1.551        1.50174  2.77767      1.4314   0.905804 0.40459   1.12788  0.439821  
1 1 1 73 1  26 o 0.70463  0.323511  0.565669     1.0459   1.00878      1.48026  0.123912     1.478    0.768916 0.362966  0.690792 0.336032  
1 1 1 73 2  0  o 2.02225  0.228808  4.32194      0.898443 4.32194      0.898443 4.32194      0.898443 2.05176  0.156928  ?        ?         
1 1 1 73 2  1  o 3.77634  0.0980686 14.3661      0.74068  14.156       1.06114  14.5658      1.03434  3.73354  0.142109  3.78945  0.136476  
1 1 1 73 2  2  o 4.37085  0.0896539 19.2226      0.783728 18.3091      1.15412  20.0043      1.06764  4.24881  0.135817  4.44799  0.120014  
1 1 1 73 2  3  o 1.27     0.248189  1.74037      0.607915 1.54218      0.885048 1.9174       0.836454 1.17332  0.350525  1.30854  0.321494  
1 1 1 73 2  4  o 1.36904  0.222614  1.94847      0.609535 3.15684      0.894038 0.898959     0.833199 1.73125  0.258206  0.954339 0.342413  
1 1 1 73 2  5  o 2.65514  0.118214  7.13136      0.627752 7.21622      0.921257 7.05781      0.857697 2.65345  0.173596  2.62788  0.163192  
1 1 1 73 2  6  o 1.65625  0.178819  2.81918      0.59234  2.36314      0.863089 3.22523      0.814418 1.45631  0.306032  1.75559  0.23195   
1 1 1 73 2  7  o 1.44434  0.213322  2.16941      0.616218 1.95578      0.876644 2.37807      0.866375 1.3116   0.333371  1.46005  0.306461  
1 1 1 73 2  8  o 2.4907   0.129184  6.29506      0.643519 7.28136      0.938187 5.41871      0.884345 2.66204  0.176215  2.29032  0.193062  
1 1 1 73 2  9  o 0.64303  0.271438  0.108801     0.599211 -0.197137    0.858629 0.39926      0.836623 0.687411 0.306515  0.807621 0.328778  
1 1 1 73 2  10 o 1.87958  0.169509  3.63632      0.637211 3.97061      0.870193 3.24983      0.935672 1.94394  0.223822  1.74016  0.268846  
1 1 1 73 2  11 o 0.804753 0.294022  0.62125      0.616777 0.486078     0.850716 0.771034     0.895517 0.826477 0.333437  0.912318 0.349619  
1 1 1 73 2  12 o 3.55825  0.108147  12.8346      0.76963  12.1149      1.05517  13.6527      1.12503  3.4335   0.153658  3.64448  0.154348  
1 1 1 73 2  13 o 2.91558  0.130383  8.67845      0.760287 9.83173      1.01561  7.20822      1.14671  3.08466  0.164622  2.60857  0.219796  
1 1 1 73 2  14 o 2.52183  0.136694  6.51202      0.689437 6.06938      0.95968  6.98411      0.991102 2.40272  0.199707  2.58226  0.191906  
1 1 1 73 2  15 o 1.33111  0.275337  2.01219      0.70816  2.4272       0.970945 1.54052      1.03511  1.42067  0.344734  1.12803  0.383561  
1 1 1 73 2  16 o 0.85756  0.316789  0.766842     0.718019 1.29466      0.994802 0.192855     1.0374   1.04496  0.374227  0.795394 0.346849  
1 1 1 73 2  17 o 2.11483  0.188916  4.74495      0.799048 4.74777      1.13213  4.74215      1.12793  2.04875  0.276297  2.04837  0.275325  
1 1 1 73 2  18 o 0.508329 0.247932  -1.2159      0.821759 -1.86913     1.15349  -0.542711    1.17099  0.575218 0.283313  0.708971 0.331865  
1 1 1 73 2  19 o 0.719566 0.312689  0.191414     0.837405 -1.16429     1.26479  1.24957      1.1174   0.666042 0.320819  1.00635  0.389384  
1 1 1 73 2  20 o 1.27944  0.336182  2.14059      0.871487 3.86717      1.27084  0.607857     1.19738  1.67684  0.386587  0.858662 0.373531  
1 1 1 73 2  21 o 1.10429  0.37455   1.77585      0.987043 3.10311      1.52655  0.822319     1.2939   1.32863  0.464782  0.885597 0.386761  
1 1 1 73 2  22 o 1.21611  0.388709  2.25208      1.06614  2.47783      1.60616  2.07426      1.42546  1.15676  0.461589  1.10126  0.436289  
1 1 1 73 2  23 o 0.66797  0.310372  -0.0170327   0.999203 0.575626     1.40262  -0.627718    1.42379  0.805416 0.37173   0.687529 0.333002  
1 1 1 73 2  24 o 1.06345  0.385915  2.0556       1.06099  4.18297      1.52613  0.0655318    1.47606  1.39717  0.465733  0.732945 0.35146   
1 1 1 73 2  25 o 1.05434  0.39449   2.13692      1.12055  2.21955      1.58643  2.05464      1.58296  0.971757 0.426288  0.948619 0.420146  
1 1 1 73 3  0  o 1.35934  0.374353  2.30036      0.878866 2.30036      0.878866 2.30036      0.878866 1.45074  0.232056  ?        ?         
1 1 1 73 3  1  o 0.874775 0.300119  0.777783     0.633869 0.594417     0.908037 0.952061     0.88525  0.883411 0.348773  0.978421 0.352758  
1 1 1 73 3  2  o 2.51132  0.127978  6.39331      0.642787 5.73764      0.931182 6.99012      0.888402 2.35719  0.19752   2.61249  0.17003   
1 1 1 73 3  3  o 4.13331  0.0899591 17.2025      0.743657 16.9652      1.05214  17.4394      1.05124  4.09013  0.128619  4.14774  0.126725  
1 1 1 73 3  4  o 3.15545  0.108124  10.0586      0.682359 9.94649      1.03211  10.1456      0.909485 3.11682  0.16557   3.15682  0.144051  
1 1 1 73 3  5  o 0.577075 0.25531   -0.128856    0.582392 -0.489266    0.853974 0.184518     0.796302 0.637631 0.292572  0.744249 0.313477  
1 1 1 73 3  6  o 2.40144  0.133406  5.85742      0.640733 5.00843      0.905108 6.71026      0.907163 2.19717  0.205971  2.55511  0.177519  
1 1 1 73 3  7  o 3.42048  0.104919  11.816       0.717746 12.4022      1.06855  11.3341      0.968852 3.4848   0.153316  3.33492  0.145259  
1 1 1 73 3  8  o 2.14523  0.148542  4.70011      0.637315 3.85969      0.95656  5.37096      0.854627 1.90774  0.250706  2.27929  0.187477  
1 1 1 73 3  9  o 1.69592  0.187326  2.9808       0.635377 4.03037      0.970038 2.19216      0.840862 1.94617  0.249217  1.38999  0.310396  
1 1 1 73 3  10 o 2.89552  0.121647  8.52149      0.704462 7.46383      0.992103 9.59706      1.00047  2.68146  0.184993  3.05268  0.163867  
1 1 1 73 3  11 o 1.69045  0.189677  2.97832      0.641278 3.37805      0.912231 2.58779      0.901669 1.77028  0.257652  1.50481  0.310196  
1 1 1 73 3  12 f 2.02372  0.161972  4.22753      0.655572 4.17721      0.947018 4.27384      0.908424 1.97543  0.239699  2.00522  0.226515  
1 1 1 73 3  13 o 1.69232  0.196969  3.00543      0.66667  2.6829       0.925022 3.35402      0.961674 1.52399  0.314222  1.74888  0.27494   
1 1 1 73 3  14 o 1.15231  0.300609  1.54406      0.699989 1.87963      0.951551 1.14831      1.03337  1.24183  0.361409  1.01928  0.379337  
1 1 1 73 3  15 o 1.90711  0.192145  3.839        0.73288  4.71018      1.02264  2.91912      1.05083  2.07813  0.246048  1.55204  0.34728   
1 1 1 73 3  16 o 0.831485 0.317682  0.689226     0.737554 -0.361656    1.05954  1.67717      1.02732  0.706849 0.324984  1.147    0.382116  
1 1 1 73 3  17 o 0.625595 0.284771  -0.231948    0.785879 -1.39101     1.11986  0.892753     1.10313  0.604298 0.293499  0.932629 0.378277  
1 1 1 73 3  18 o 1.99982  0.206322  4.32715      0.825215 3.9025       1.17399  4.74187      1.16019  1.76997  0.343915  2.02358  0.286669  
1 1 1 73 3  19 o 0.988959 0.344251  1.2534       0.836584 0.405718     1.31157  1.83485      1.08625  0.852899 0.379608  1.14353  0.392824  
1 1 1 73 3  20 o 1.21384  0.359701  2.04654      0.934552 1.66206      1.43685  2.32846      1.23036  1.04938  0.429637  1.22476  0.418174  
1 1 1 73 3  21 o 0.640729 0.299926  -0.331746    0.956593 0.895436     1.59624  -1.01945     1.19493  0.915607 0.41273   0.632686 0.306201  
1 1 1 73 3  22 o 0.578533 0.284255  -1.32422     1.12979  -2.78128     1.49989  0.586739     1.71769  0.580783 0.292228  0.862464 0.40313   
1 1 1 73 3  23 o 0.56902  0.278488  -1.01616     1.06375  -1.00472     1.44888  -1.02953     1.56676  0.653889 0.321481  0.671992 0.330989  
1 1 1 73 3  24 o 0.739666 0.334915  0.503448     1.06279  1.95332      1.60613  -0.625864    1.4175   0.953694 0.422698  0.670204 0.326659  
1 1 1 73 3  25 o 0.681646 0.318832  0.338959     1.07676  0.422849     1.58888  0.267712     1.46426  0.728037 0.352476  0.707334 0.341743  
1 1 1 73 4  0  o 0.990679 0.430268  1.48853      0.875263 1.48853      0.875263 1.48853      0.875263 1.07911  0.329053  ?        ?         
1 1 1 73 4  1  o 2.40704  0.136909  5.88917      0.659091 6.1839       0.932536 5.595        0.931657 2.44812  0.19046   2.32481  0.200372  
1 1 1 73 4  2  o 3.83212  0.0998335 14.8138      0.765148 15.2055      1.08372  14.4245      1.08045  3.8662   0.140153  3.76405  0.143523  
1 1 1 73 4  3  f 3.95433  0.0994551 15.7729      0.786556 14.1695      1.21187  16.9401      1.03392  3.72099  0.162842  4.08711  0.126486  
1 1 1 73 4  4  o 2.08828  0.149406  4.44695      0.624005 4.24447      0.89751  4.6364       0.868172 2.01644  0.222548  2.11411  0.205328  
1 1 1 73 4  5  o 1.43067  0.208653  2.12754      0.597028 3.66235      0.86374  0.723374     0.826164 1.86898  0.231073  0.894209 0.337801  
1 1 1 73 4  6  o 4.12517  0.0902446 17.1488      0.744548 17.4808      1.06226  16.8282      1.04388  4.14886  0.128018  4.07058  0.128222  
1 1 1 73 4  7  o 3.55415  0.103656  12.7691      0.736821 13.0509      1.08813  12.5305      1.00132  3.57126  0.152345  3.50415  0.142877  
1 1 1 73 4  8  o 0.636672 0.271525  0.0780176    0.610113 0.353462     0.92714  -0.132367    0.810279 0.8191   0.341241  0.675874 0.299812  
1 1 1 73 4  9  o 4.23513  0.105899  18.1635      0.896996 18.2849      1.23359  18.0273      1.30665  4.22529  0.145977  4.18841  0.155984  
1 1 1 73 4  10 o 2.78163  0.133275  7.90034      0.741442 7.7325       1.06245  8.05968      1.03519  2.72005  0.1953    2.78258  0.186014  
1 1 1 73 4  11 o 2.51049  0.136621  6.44747      0.685971 6.56246      0.96058  6.3278       0.97993  2.50579  0.191672  2.45617  0.199483  
1 1 1 73 4  12 o 1.87827  0.18125   3.67535      0.680874 3.77214      0.937564 3.56733      0.990409 1.86858  0.250877  1.80395  0.274511  
1 1 1 73 4  13 o 2.47314  0.143908  6.28757      0.711812 5.99109      0.963942 6.64312      1.0556   2.3824   0.202305  2.50301  0.210866  
1 1 1 73 4  14 o 0.512483 0.242995  -0.667756    0.670871 -0.978622    0.934048 -0.336509    0.96418  0.588405 0.28153   0.685641 0.313041  
1 1 1 73 4  15 o 1.85829  0.196589  3.66847      0.730638 3.97466      1.01388  3.33768      1.05383  1.88588  0.268809  1.67016  0.327154  
1 1 1 73 4  16 o 1.572    0.243526  2.73663      0.765645 2.55313      1.06846  2.93032      1.0977   1.40221  0.373993  1.51347  0.366104  
1 1 1 73 4  17 o 1.06682  0.332362  1.42117      0.784583 0.932205     1.11877  1.89436      1.10059  0.939438 0.380986  1.18594  0.395506  
1 1 1 73 4  18 o 0.805687 0.329518  0.583747     0.844323 -0.125193    1.31652  1.07906      1.10043  0.788476 0.362405  0.957951 0.382129  
1 1 1 73 4  19 o 0.685929 0.309954  -0.008406    0.905727 -0.256461    1.48151  0.139638     1.14452  0.787676 0.369522  0.769079 0.347929  
1 1 1 73 4  20 o 1.2408   0.362047  2.18372      0.953708 1.56139      1.49329  2.61242      1.23941  1.01456  0.428397  1.28305  0.419709  
1 1 1 73 4  21 o 0.651118 0.303807  -0.258484    0.970146 1.38921      1.6541   -1.1225      1.1978   0.97406  0.430694  0.62121  0.302286  
1 1 1 73 4  22 o 1.05635  0.396259  1.97553      1.13205  1.62353      1.64292  2.29374      1.56206  0.940613 0.421577  1.04703  0.439935  
1 1 1 73 4  23 o 0.912386 0.377279  1.48209      1.1202   2.79624      1.56949  0.117447     1.59935  1.0817   0.446888  0.748659 0.360651  
1 1 1 73 4  24 o 1.2012   0.401978  2.7033       1.1369   1.94938      1.60543  3.46173      1.61022  0.932225 0.417306  1.17561  0.464346  
1 1 1 73 5  0  o 2.62083  0.180303  7.06484      0.934813 7.06484      0.934813 7.06484      0.934813 2.63966  0.12586   ?        ?         
1 1 1 73 5  1  o 1.13215  0.282245  1.42543      0.637583 1.38907      0.911189 1.46031      0.89246  1.11319  0.359711  1.13599  0.354588  
1 1 1 73 5  2  o 3.48545  0.105098  12.2722      0.732626 10.5313      1.06187  13.8537      1.0121   3.20485  0.165666  3.69016  0.137135  
1 1 1 73 5  3  o 3.51698  0.106136  12.5007      0.746557 14.3118      1.11336  11.0211      1.00632  3.7443   0.148674  3.28367  0.153231  
1 1 1 73 5  4  o 3.30842  0.103483  11.0598      0.684733 10.1392      0.966297 11.9884      0.970433 3.14844  0.153457  3.42927  0.141493  
1 1 1 73 5  5  o 1.42159  0.21534   2.11611      0.612248 2.04983      0.847313 2.18852      0.885658 1.3401   0.320076  1.38318  0.325254  
1 1 1 73 5  6  o 1.22081  0.255519  1.6435       0.603744 1.96939      0.872696 1.34435      0.836123 1.30505  0.333164  1.08657  0.343923  
1 1 1 73 5  7  o 1.86198  0.170483  3.57817      0.634871 2.70186      0.918316 4.38048      0.878682 1.54399  0.308294  2.04129  0.215228  
1 1 1 73 5  8  o 2.74217  0.121441  7.64735      0.666023 7.11273      0.945104 8.17478      0.938726 2.61815  0.180491  2.81429  0.166778  
1 1 1 73 5  9  o 4.3025   0.0989123 18.7297      0.85114  17.9391      1.23931  19.4354      1.17098  4.18074  0.148217  4.36167  0.134235  
1 1 1 73 5  10 o 0.913059 0.311281  0.906983     0.681745 0.436002     0.895576 1.556        1.05131  0.820671 0.33813   1.14481  0.38655   
1 1 1 73 5  11 o 2.8058   0.128255  8.03814      0.719717 7.36092      0.975835 8.84594      1.06577  2.65619  0.183691  2.91229  0.182977  
1 1 1 73 5  12 o 2.30614  0.15153   5.48338      0.698899 5.60974      0.932198 5.32119      1.05615  2.30536  0.20218   2.22316  0.237533  
1 1 1 73 5  13 o 1.9175   0.184245  3.86085      0.706578 3.01673      0.937889 4.96876      1.07448  1.61506  0.301562  2.1319   0.252002  
1 1 1 73 5  14 f 2.17095  0.165038  4.91783      0.716581 6.18518      0.99132  3.53092      1.03702  2.40637  0.205978  1.73378  0.310278  
1 1 1 73 5  15 o 2.0667   0.1812    4.52007      0.748973 4.69734      1.03106  4.32205      1.08979  2.05523  0.250839  1.94762  0.279774  
1 1 1 73 5  16 o 1.16882  0.311692  1.67289      0.742214 1.15912      1.03175  2.22393      1.06851  0.986616 0.376089  1.29343  0.384891  
1 1 1 73 5  17 o 1.40434  0.300257  2.38137      0.818722 2.47229      1.26877  2.3165       1.07171  1.31421  0.424442  1.31099  0.384198  
1 1 1 73 5  18 o 1.50741  0.316227  2.85333      0.922906 2.12266      1.40251  3.41136      1.22567  1.16927  0.440579  1.56348  0.392277  
1 1 1 73 5  19 o 1.24727  0.356468  2.16531      0.933967 0.370564     1.54545  3.19792      1.17225  0.856023 0.393116  1.4894   0.389231  
1 1 1 73 5  20 o 1.77302  0.279192  3.82748      0.990026 4.17654      1.64467  3.62911      1.23982  1.52839  0.482209  1.57035  0.394856  
1 1 1 73 5  21 o 1.32996  0.355904  2.5931       0.965596 4.14361      1.61797  1.73537      1.2034   1.45777  0.479541  1.01735  0.401554  
1 1 1 73 5  22 o 0.648611 0.309022  -0.264711    1.09662  0.0109706    1.58826  -0.515867    1.51596  0.750241 0.360918  0.698857 0.340071  
1 1 1 73 5  23 o 0.592186 0.286527  -0.662667    1.04379  -1.05531     1.53614  -0.325896    1.42265  0.659672 0.324879  0.695676 0.336238  
1 1 1 73 5  24 o 0.650441 0.310202  0.0469356    1.11074  -0.101039    1.55041  0.20297      1.59207  0.685349 0.335606  0.710227 0.34617   
1 1 1 73 6  0  o 3.22461  0.149237  10.5816      0.957766 10.5816      0.957766 10.5816      0.957766 3.23893  0.104796  ?        ?         
1 1 1 73 6  1  o 2.70418  0.131673  7.44221      0.712138 7.34048      1.11138  7.51307      0.927582 2.65083  0.20963   2.70085  0.17172   
1 1 1 73 6  2  o 1.85225  0.181417  3.54742      0.672059 2.55324      0.969561 4.46685      0.932399 1.4908   0.333583  2.06     0.22631   
1 1 1 73 6  3  o 3.733    0.0967295 14.0722      0.722181 14.0316      1.03735  14.1104      1.00601  3.7081   0.139876  3.72095  0.135182  
1 1 1 73 6  4  o 1.27054  0.239823  1.76047      0.587147 1.74103      0.841111 1.77895      0.819994 1.22566  0.334064  1.24162  0.326032  
1 1 1 73 6  5  o 1.15862  0.263219  1.4952       0.596222 1.09495      0.86246  1.86156      0.825146 1.00182  0.349457  1.26862  0.324017  
1 1 1 73 6  6  o 0.438953 0.213714  -0.981686    0.600701 -1.28811     0.86583  -0.697314    0.834097 0.532898 0.258586  0.590114 0.276917  
1 1 1 73 6  7  o 0.756221 0.289983  0.489771     0.616384 0.446229     0.881365 0.531454     0.862342 0.821482 0.336439  0.837327 0.336577  
1 1 1 73 6  8  o 1.85746  0.172771  3.57615      0.641833 2.78101      0.88914  4.44128      0.927448 1.56819  0.294342  2.04433  0.226834  
1 1 1 73 6  9  o 1.33362  0.255029  1.97224      0.655932 2.3222       0.90622  1.58715      0.95063  1.40913  0.327495  1.15396  0.366867  
1 1 1 73 6  10 o 2.32688  0.15228   5.5768       0.708674 6.08579      0.936531 4.89491      1.08399  2.40853  0.194419  2.12448  0.25512   
1 1 1 73 6  11 o 0.746713 0.295016  0.445191     0.650126 0.304587     0.871097 0.621985     0.976786 0.777251 0.327646  0.877171 0.355885  
1 1 1 73 6  12 f 0.547487 0.252772  -0.384614    0.649273 -0.220751    0.848043 -0.616711    1.00928  0.661577 0.299384  0.661495 0.309124  
1 1 1 73 6  13 o 1.98639  0.179258  4.14736      0.712154 4.42586      0.94964  3.78946      1.07653  2.01623  0.235499  1.82372  0.295146  
1 1 1 73 6  14 o 2.67005  0.152682  7.42042      0.815336 7.77314      1.04341  6.86731      1.3066   2.70074  0.193172  2.47304  0.264168  
1 1 1 73 6  15 o 1.85976  0.219627  3.76994      0.816909 2.96         1.20338  4.46221      1.11253  1.48689  0.397052  1.97176  0.282116  
1 1 1 73 6  16 o 1.46332  0.297078  2.56217      0.839169 2.32588      1.33406  2.71688      1.07949  1.26832  0.435367  1.43903  0.372329  
1 1 1 73 6  17 o 1.06241  0.346369  1.48441      0.844104 0.873771     1.37507  1.85366      1.06928  0.932449 0.402874  1.14793  0.389841  
1 1 1 73 6  18 o 1.39222  0.339937  2.57737      0.93962  2.542        1.47538  2.60151      1.21874  1.22837  0.454037  1.30357  0.41549   
1 1 1 73 6  19 o 0.724409 0.321044  0.24833      0.926215 1.8821       1.53265  -0.691586    1.1625   1.06601  0.441083  0.656943 0.314264  
1 1 1 73 6  20 o 1.37781  0.36247   2.72231      1.01233  1.70177      1.69437  3.28885      1.26243  1.01068  0.441977  1.44136  0.415251  
1 1 1 73 6  21 o 1.44927  0.361998  3.19526      1.04728  3.25267      1.57669  3.14992      1.401    1.21346  0.464231  1.25636  0.444686  
1 1 1 73 6  22 o 1.03295  0.391891  2.00594      1.1159   2.12097      1.63794  1.90631      1.52441  0.96468  0.427304  0.946314 0.416482  
1 1 1 73 6  23 o 0.747431 0.336827  0.635077     1.06238  3.53571      1.60053  -1.64937     1.4204   1.1851   0.464477  0.592302 0.295386  
1 1 1 73 7  0  o 0.797741 0.417355  1.03491      0.864775 1.03491      0.864775 1.03491      0.864775 0.8287   0.359605  ?        ?         
1 1 1 73 7  1  o 1.9855   0.156782  4.0508       0.622579 4.19068      0.884114 3.91322      0.876849 1.99263  0.221846  1.92269  0.228027  
1 1 1 73 7  2  o 2.30088  0.14025   5.41179      0.645397 5.59657      0.917985 5.23119      0.907564 2.31455  0.198307  2.23544  0.202995  
1 1 1 73 7  3  o 3.13936  0.110166  9.99257      0.691702 10.2275      1.01375  9.78793      0.946173 3.15156  0.160833  3.0872   0.153241  
1 1 1 73 7  4  o 0.934122 0.293497  0.970099     0.610097 0.423131     0.87596  1.48541      0.85023  0.815262 0.334901  1.12837  0.344874  
1 1 1 73 7  5  o 0.589301 0.258732  -0.0564948   0.585424 0.874732     0.845877 -0.912621    0.811051 0.928248 0.343652  0.550875 0.263277  
1 1 1 73 7  6  o 1.19774  0.261445  1.60487      0.608968 1.03166      0.873277 2.14746      0.84963  0.97792  0.350584  1.36131  0.317576  
1 1 1 73 7  7  o 1.35275  0.242208  2.01031      0.631592 1.81949      0.887442 2.20617      0.899084 1.23773  0.345483  1.37096  0.331144  
1 1 1 73 7  8  o 0.585659 0.263087  -0.18945     0.643041 -0.354337    0.875179 0.00400588   0.94797  0.656362 0.299241  0.745427 0.328248  
1 1 1 73 7  9  o 1.82098  0.193682  3.47976      0.705381 4.70366      1.01929  2.35491      0.977166 2.08811  0.244069  1.40041  0.349594  
1 1 1 73 7  10 o 0.815543 0.311063  0.624554     0.706156 -0.403316    0.98884  1.69427      1.00877  0.687291 0.315136  1.17486  0.378366  
1 1 1 73 7  11 o 1.60982  0.233012  2.80209      0.750214 1.77199      1.05655  3.84957      1.06543  1.18824  0.387514  1.85123  0.287763  
1 1 1 73 7  12 o 2.44402  0.174868  6.26493      0.854763 5.68034      1.1387   7.01951      1.29371  2.27137  0.250664  2.51927  0.256763  
1 1 1 73 7  13 o 0.577156 0.266665  -0.380324    0.724315 -1.02628     1.01597  0.287348     1.03291  0.60658  0.29104   0.800504 0.34756   
1 1 1 73 7  14 f 1.46109  0.276147  2.48644      0.777533 1.41882      1.10067  3.54992      1.09853  1.05807  0.391948  1.70022  0.334986  
1 1 1 73 7  15 o 3.42033  0.141203  12.1498      0.965918 10.3677      1.37409  13.8906      1.35808  3.07491  0.223436  3.60544  0.188338  
1 1 1 73 7  16 o 1.29876  0.323541  2.13573      0.838273 0.653094     1.36135  3.04123      1.06389  0.900938 0.395059  1.52707  0.354803  
1 1 1 73 7  17 o 1.38007  0.338272  2.51395      0.927702 3.33665      1.52508  2.03072      1.16882  1.41359  0.465572  1.16217  0.40668   
1 1 1 73 7  18 o 1.88547  0.25211   4.16947      0.950692 3.71293      1.52833  4.45761      1.21419  1.47275  0.464861  1.83081  0.344254  
1 1 1 73 7  19 o 1.84521  0.268637  4.10808      0.991383 4.34733      1.64788  3.97237      1.24111  1.55722  0.480979  1.66293  0.38113   
1 1 1 73 7  20 o 0.936784 0.365595  1.39316      0.989432 1.43173      1.70076  1.37344      1.21647  0.921691 0.419386  0.921249 0.387713  
1 1 1 73 7  21 o 0.826791 0.357033  1.00624      1.07885  1.94769      1.59312  0.208792     1.46622  0.955601 0.422587  0.749637 0.357235  
1 1 1 73 7  22 o 0.69812  0.325763  0.160675     1.11572  0.323404     1.57747  -0.0022206   1.57828  0.769248 0.36753   0.740808 0.357211  
1 1 1 73 7  23 o 0.704876 0.327998  0.56176      1.12111  1.63102      1.55899  -0.583436    1.61339  0.823948 0.38471   0.650939 0.323249  
1 1 1 73 8  0  f 1.73514  0.287536  3.37379      0.915208 3.37379      0.915208 3.37379      0.915208 1.79152  0.185144  ?        ?         
1 1 1 73 8  1  o 0.766974 0.287927  0.536868     0.597904 0.292164     0.810801 0.828555     0.885221 0.762543 0.318487  0.921229 0.349178  
1 1 1 73 8  2  o 1.78252  0.171426  3.29058      0.611142 2.86727      0.821363 3.8156       0.914725 1.63213  0.251623  1.88768  0.242289  
1 1 1 73 8  3  o 2.46447  0.130674  6.20025      0.644085 5.94211      0.87947  6.49886      0.945901 2.38894  0.184072  2.49538  0.189531  
1 1 1 73 8  4  o 0.713253 0.282229  0.379925     0.595835 -0.343557    0.866874 1.0278       0.820328 0.656047 0.298754  0.969396 0.34056   
1 1 1 73 8  5  o 0.69038  0.28047   0.293525     0.607563 -0.171471    0.826452 0.840358     0.896232 0.669105 0.299469  0.923856 0.351     
1 1 1 73 8  6  o 2.35617  0.139466  5.68785      0.65721  6.73156      0.90899  4.54466      0.951325 2.5436   0.178682  2.06351  0.230511  
1 1 1 73 8  7  o 3.57605  0.105763  12.9743      0.75643  13.1112      1.04066  12.821       1.10143  3.57175  0.14568   3.52487  0.156236  
1 1 1 73 8  8  o 1.12794  0.303468  1.48069      0.699689 0.710509     1.0047   2.20599      0.974987 0.905115 0.363517  1.34841  0.356175  
1 1 1 73 8  9  o 2.13688  0.172068  4.75966      0.735379 4.12821      1.0386   5.39446      1.04137  1.93466  0.268421  2.23766  0.232691  
1 1 1 73 8  10 o 0.799412 0.313831  0.568514     0.731349 0.607195     1.04574  0.531483     1.0232   0.880859 0.3644    0.8596   0.358322  
1 1 1 73 8  11 o 0.994613 0.310923  1.16949      0.685849 0.80277      0.880682 1.73467      1.09332  0.889759 0.345395  1.163    0.394198  
1 1 1 73 8  12 o 2.32287  0.165495  5.6563       0.768848 5.39114      1.08443  5.92431      1.09022  2.20694  0.245687  2.32339  0.234619  
1 1 1 73 8  13 o 1.63436  0.238121  2.95265      0.778349 2.82254      1.14528  3.06433      1.06104  1.46226  0.385929  1.56368  0.348319  
1 1 1 73 8  14 o 1.45495  0.291791  2.51628      0.819153 1.87072      1.18816  3.10109      1.13087  1.16701  0.409874  1.54532  0.370209  
1 1 1 73 8  15 o 0.511697 0.247486  -0.959877    0.775815 -1.27258     1.18807  -0.727414    1.02437  0.627359 0.303949  0.631781 0.299894  
1 1 1 73 8  16 o 1.08658  0.35994   1.62025      0.911546 0.395264     1.56236  2.25244      1.12238  0.875623 0.39937   1.2397   0.39909   
1 1 1 73 8  17 o 0.59392  0.281376  -0.567083    0.897882 -1.36023     1.46883  -0.0938735   1.13454  0.674432 0.329417  0.722597 0.333817  
1 1 1 73 8  18 o 0.779427 0.331977  0.559097     0.909947 -0.246091    1.45445  1.07696      1.16642  0.763282 0.360154  0.912666 0.381647  
1 1 1 73 8  19 o 1.19567  0.373453  2.21442      0.989737 0.0741645    1.79448  3.15014      1.18653  0.813729 0.38955   1.40359  0.40199   
1 1 1 73 8  20 o 0.565402 0.273236  -0.685367    0.938224 0.0543461    1.5326   -1.12874     1.18654  0.750582 0.359485  0.590701 0.290579  
1 1 1 73 8  21 o 1.37476  0.396084  3.24688      1.14855  2.75654      1.59306  3.77764      1.65744  1.07629  0.447778  1.246    0.476177  
1 1 1 73 8  22 o 0.692218 0.32413   0.259006     1.12043  -0.0193103   1.58352  0.538027     1.58553  0.715525 0.347988  0.76103  0.364766  
1 1 1 73 9  0  o 5.98561  0.12555   36.2265      1.50149  36.2265      1.50149  36.2265      1.50149  6.00225  0.0884866 ?        ?         
1 1 1 73 9  1  o 1.43901  0.226222  2.20317      0.651071 2.3613       0.88515  2.01677      0.96103  1.42633  0.318433  1.2953   0.35886   
1 1 1 73 9  2  o 0.849853 0.294321  0.763188     0.610845 0.782656     0.812203 0.737837     0.926832 0.891549 0.335406  0.901308 0.353412  
1 1 1 73 9  3  o 1.52231  0.212606  2.44989      0.647305 1.70896      0.862387 3.406        0.979635 1.19951  0.342445  1.76113  0.278126  
1 1 1 73 9  4  o 0.85928  0.290828  0.795952     0.595101 0.658085     0.793875 0.972795     0.899117 0.84932  0.328295  0.959431 0.354481  
1 1 1 73 9  5  o 0.594007 0.262937  -0.0938671   0.618782 -0.553733    0.847467 0.431253     0.905601 0.612568 0.285094  0.818491 0.338883  
1 1 1 73 9  6  o 1.25752  0.257693  1.77205      0.625787 1.22664      0.860849 2.38327      0.911298 1.02989  0.349788  1.42154  0.327118  
1 1 1 73 9  7  o 1.49101  0.228903  2.38727      0.682595 2.37988      0.992991 2.3939       0.939869 1.39849  0.354415  1.41467  0.336608  
1 1 1 73 9  8  o 1.2239   0.293812  1.74665      0.711159 1.47632      1.0064   2.01626      1.00506  1.102    0.378154  1.27129  0.371898  
1 1 1 73 9  9  o 1.6583   0.20235   2.9256       0.671114 1.89397      0.891775 4.27289      1.01912  1.2407   0.34633   1.96644  0.259127  
1 1 1 73 9  10 o 0.950038 0.308231  1.05611      0.668555 2.28685      0.895536 -0.493375    1.00483  1.36966  0.330276  0.670158 0.311334  
1 1 1 73 9  11 o 1.78231  0.216676  3.44458      0.772367 4.05262      1.08491  2.8197       1.09983  1.8768   0.289032  1.47927  0.371862  
1 1 1 73 9  12 o 1.94654  0.202606  4.0793       0.788762 3.3112       1.13139  4.80566      1.10022  1.61622  0.359425  2.06004  0.267038  
1 1 1 73 9  13 o 2.48963  0.168097  6.53647      0.837    6.68033      1.20547  6.40256      1.16306  2.44529  0.246489  2.39794  0.242512  
1 1 1 73 9  14 o 3.05825  0.15954   9.85699      0.975828 10.4782      1.35727  9.19231      1.40398  3.08247  0.220159  2.85436  0.245936  
1 1 1 73 9  15 o 2.37383  0.203013  6.19012      0.963835 4.9561       1.5816   6.91915      1.21565  1.82466  0.438244  2.45723  0.247361  
1 1 1 73 9  16 o 0.677348 0.307713  -0.0180732   0.907601 0.552724     1.61392  -0.282074    1.0976   0.884571 0.404341  0.69046  0.322545  
1 1 1 73 9  17 o 0.764138 0.325847  0.505698     0.878471 1.16256      1.42664  0.104538     1.11491  0.942488 0.408826  0.742126 0.338182  
1 1 1 73 9  18 o 0.727276 0.320984  0.342639     0.913023 1.92401      1.47402  -0.641766    1.16298  1.04719  0.432886  0.651795 0.312407  
1 1 1 73 9  19 f 0.818017 0.34902   0.903108     1.00886  1.60482      1.79447  0.57881      1.21991  0.926359 0.424657  0.781449 0.35547   
1 1 1 73 9  20 o 0.92118  0.377439  1.52357      1.10977  0.805218     1.50106  2.38958      1.64813  0.805632 0.376677  0.999473 0.436499  
1 1 1 73 9  21 o 1.27225  0.397214  2.90307      1.11984  2.15409      1.5539   3.71236      1.61526  0.970643 0.423873  1.22845  0.469901  
1 1 1 73 9  22 o 0.799131 0.35446   1.26536      1.13229  2.33768      1.58478  0.147149     1.61834  0.889024 0.404605  0.68911  0.339107  
1 1 1 73 10 0  o 6.4678   0.126626  42.3236      1.63657  42.3236      1.63657  42.3236      1.63657  6.4867   0.0892382 ?        ?         
1 1 1 73 10 1  o 2.58593  0.136053  6.85124      0.703647 5.93458      0.996374 7.76325      0.993845 2.36725  0.21045   2.72658  0.182251  
1 1 1 73 10 2  o 1.22353  0.266187  1.69045      0.633208 2.36685      0.858365 0.882896     0.937894 1.42788  0.309296  0.936668 0.358131  
1 1 1 73 10 3  o 0.531325 0.248894  -0.532338    0.663155 -0.194546    0.904678 -0.924642    0.974946 0.690891 0.311114  0.61358  0.291877  
1 1 1 73 10 4  o 1.52589  0.207858  2.46783      0.634335 2.39718      0.816659 2.57529      1.00718  1.44549  0.292705  1.46156  0.34889   
1 1 1 73 10 5  o 0.709624 0.286983  0.346921     0.632324 0.579288     0.806302 -0.0242815   1.0191   0.824582 0.327671  0.756302 0.335767  
1 1 1 73 10 6  o 1.85475  0.177714  3.60173      0.659231 3.65853      0.907403 3.53824      0.959351 1.83136  0.24774   1.78822  0.268242  
1 1 1 73 10 7  o 1.46632  0.239309  2.34016      0.701806 2.62098      1.01373  2.08168      0.972556 1.46198  0.350679  1.29231  0.361981  
1 1 1 73 10 8  f 3.87712  0.120763  15.3853      0.936423 15.9138      1.24149  14.6878      1.42626  3.90993  0.158761  3.72307  0.191544  
1 1 1 73 10 9  o 1.82387  0.205849  3.56836      0.750883 3.80327      1.0917   3.35746      1.03443  1.81355  0.300984  1.67388  0.320417  
1 1 1 73 10 10 o 2.89748  0.140861  8.69921      0.816285 6.21829      1.15667  11.1608      1.15215  2.36812  0.244217  3.24888  0.177315  
1 1 1 73 10 11 o 1.7111   0.228673  3.21585      0.782567 2.94205      1.11532  3.48136      1.09831  1.50664  0.371899  1.67807  0.339119  
1 1 1 73 10 12 o 1.19799  0.324409  1.79031      0.796381 1.42177      1.16615  2.1124       1.09019  1.05229  0.400211  1.24754  0.392405  
1 1 1 73 10 13 o 0.755888 0.313767  0.448335     0.779459 1.67235      1.12511  -0.681292    1.08086  1.10115  0.39762   0.655151 0.309598  
1 1 1 73 10 14 o 1.83426  0.250447  3.86759      0.918769 2.5209       1.41417  4.85118      1.20858  1.25294  0.446439  1.99559  0.302814  
1 1 1 73 10 15 o 1.32844  0.345942  2.3956       0.928078 3.10535      1.55457  2.00256      1.15686  1.32852  0.468606  1.14387  0.404166  
1 1 1 73 10 16 o 1.67234  0.272068  3.36829      0.909977 3.53159      1.52928  3.27878      1.13224  1.4207   0.466213  1.5189   0.374577  
1 1 1 73 10 17 o 0.823119 0.339742  0.780386     0.905764 3.27478      1.46606  -0.759535    1.15191  1.35649  0.456475  0.641102 0.308159  
1 1 1 73 10 18 o 1.21447  0.401813  2.56655      1.13597  3.21457      1.60808  1.92108      1.60492  1.20522  0.466957  0.983386 0.430095  
1 1 1 73 10 19 o 0.803276 0.355867  0.871213     1.13666  1.06804      1.71188  0.71601      1.52012  0.845723 0.396837  0.802929 0.376251  
1 1 1 73 10 20 o 1.07048  0.392116  2.1022       1.09759  0.626436     1.47719  3.92124      1.64001  0.791589 0.37093   1.28812  0.478182  
1 1 1 73 10 21 o 0.793398 0.35151   1.10604      1.1092   1.73426      1.53484  0.419228     1.60481  0.851979 0.39147   0.726158 0.352265  
1 1 1 73 11 0  o 0.435164 0.302641  -0.556121    0.889239 -0.556121    0.889239 -0.556121    0.889239 0.347463 0.245098  ?        ?         
1 1 1 73 11 1  o 1.08391  0.292538  1.36762      0.648932 1.32754      0.903456 1.41034      0.9327   1.05741  0.35834   1.08369  0.364093  
1 1 1 73 11 2  o 1.08483  0.301148  1.37968      0.676114 1.96423      0.994199 0.876723     0.922196 1.25701  0.370576  0.925229 0.354725  
1 1 1 73 11 3  o 2.27998  0.146444  5.36517      0.667778 5.88348      0.916726 4.77922      0.974701 2.36021  0.194204  2.10369  0.231664  
1 1 1 73 11 4  o 0.723297 0.292825  0.374028     0.659316 0.473322     0.855857 0.229087     1.03404  0.805731 0.331019  0.801555 0.347879  
1 1 1 73 11 5  o 2.63829  0.145545  7.19139      0.767981 7.20859      1.07415  7.17339      1.09844  2.59916  0.206634  2.58838  0.212186  
1 1 1 73 11 6  o 3.13011  0.125204  10.0458      0.783807 9.69372      1.03255  10.5245      1.20405  3.04288  0.169667  3.15174  0.191013  
1 1 1 73 11 7  o 2.03511  0.180987  4.37172      0.736655 4.95914      0.951382 3.49227      1.16409  2.13842  0.22245   1.67452  0.358032  
1 1 1 73 11 8  o 1.81779  0.211066  3.56913      0.76735  3.11759      1.07688  4.03489      1.0937   1.57943  0.350167  1.86962  0.292493  
1 1 1 73 11 9  o 0.465184 0.22823   -1.22326     0.723846 -1.25038     1.05603  -1.19923     0.994123 0.594883 0.287896  0.577811 0.279581  
1 1 1 73 11 10 o 1.34592  0.288232  2.15242      0.753401 0.835161     1.11717  3.25124      1.02034  0.918783 0.37795   1.63261  0.324004  
1 1 1 73 11 11 o 1.05612  0.334339  1.40145      0.79015  0.945724     1.12926  1.83858      1.10599  0.938856 0.382051  1.16325  0.396475  
1 1 1 73 11 12 o 0.588661 0.274238  -0.407081    0.786617 -0.870821    1.15465  -0.00544355  1.07455  0.655455 0.313468  0.741913 0.336305  
1 1 1 73 11 13 o 1.43422  0.312819  2.59576      0.87244  2.16131      1.38842  2.87923      1.12151  1.17095  0.438921  1.43339  0.383554  
1 1 1 73 11 14 o 0.810774 0.333358  0.687883     0.868682 0.271168     1.38823  0.956063     1.11366  0.821884 0.375402  0.89717  0.373894  
1 1 1 73 11 15 o 1.01839  0.367692  1.49063      0.962091 3.22644      1.78419  0.778992     1.14241  1.27818  0.492557  0.857264 0.36876   
1 1 1 73 11 16 o 0.809319 0.349792  0.636523     1.03725  -0.563267    1.49853  1.74011      1.43719  0.736633 0.353445  1.03016  0.42674   
1 1 1 73 11 17 o 1.33854  0.385805  2.88915      1.08949  4.33858      1.48288  1.189        1.60602  1.53952  0.452171  0.89135  0.406103  
1 1 1 73 11 18 o 0.80209  0.357701  0.827277     1.16973  1.65601      1.68041  0.0482232    1.62926  0.916901 0.417116  0.754891 0.36374   
1 1 1 73 11 19 o 0.74501  0.338694  0.508906     1.1039   2.79261      1.65066  -1.33891     1.48479  1.07244  0.451502  0.631773 0.313073  
1 1 1 73 11 20 o 0.858963 0.36474   1.33648      1.09248  1.74744      1.47683  0.839792     1.6236   0.891299 0.399582  0.787177 0.375324  
1 1 1 73 12 0  o 0.39639  0.281705  -0.838601    0.873843 -0.838601    0.873843 -0.838601    0.873843 0.309374 0.223229  ?        ?         
1 1 1 73 12 1  o 0.527054 0.246869  -0.498824    0.651813 -0.666741    0.920999 -0.330319    0.922609 0.618028 0.290191  0.667499 0.305365  
1 1 1 73 12 2  o 1.57378  0.214593  2.65977      0.675444 2.63568      0.98564  2.68109      0.927456 1.46831  0.341736  1.49859  0.318965  
1 1 1 73 12 3  o 3.44777  0.107278  12.1101      0.739738 11.8144      1.00774  12.4557      1.0893   3.3759   0.149256  3.45943  0.15744   
1 1 1 73 12 4  o 1.53655  0.214925  2.5435       0.660486 2.9168       0.922987 2.15173      0.945559 1.57273  0.304295  1.31022  0.352903  
1 1 1 73 12 5  o 2.65873  0.140247  7.30975      0.745757 6.84049      1.09574  7.7147       1.01788  2.5135   0.217971  2.69509  0.188839  
1 1 1 73 12 6  o 0.712258 0.304813  0.223527     0.773579 0.101946     1.11179  0.337626     1.07704  0.785427 0.349543  0.81756  0.354936  
1 1 1 73 12 7  o 1.78733  0.230185  3.50663      0.822831 3.16739      1.17852  3.82929      1.14935  1.55893  0.380745  1.76561  0.337542  
1 1 1 73 12 8  o 1.10833  0.331203  1.53415      0.790087 1.69039      1.07267  1.34886      1.16812  1.13123  0.390191  1.04     0.399085  
1 1 1 73 12 9  o 0.78868  0.320873  0.532914     0.796392 0.746197     1.1109   0.307404     1.1423   0.897089 0.373618  0.821325 0.361003  
1 1 1 73 12 10 o 1.49196  0.295837  2.67133      0.851373 2.81352      1.22871  2.54002      1.18077  1.41668  0.410163  1.34849  0.405282  
1 1 1 73 12 11 o 0.570825 0.272887  -0.770758    0.872857 -0.0386445   1.15626  -1.74072     1.33089  0.754496 0.343974  0.627666 0.308435  
1 1 1 73 12 12 o 1.6849   0.26672   3.33225      0.898791 1.8402       1.23633  5.00468      1.30893  1.10809  0.414417  1.99027  0.328834  
1 1 1 73 12 13 o 0.685227 0.312011  -0.0342489   0.945002 1.47653      1.4105   -1.2647      1.27293  1.00653  0.420211  0.63638  0.310062  
1 1 1 73 12 14 o 1.7487   0.315011  3.93029      1.06152  3.05182      1.71608  4.47474      1.351    1.25886  0.483528  1.76085  0.393603  
1 1 1 73 12 15 o 1.29626  0.389978  2.55609      1.09291  3.79072      1.5616   1.37079      1.53009  1.45248  0.471061  0.967512 0.421576  
1 1 1 73 12 16 o 0.665204 0.312083  -0.152305    1.05724  1.0924       1.47776  -1.45741     1.5132   0.880606 0.397026  0.647742 0.319786  
1 1 1 73 12 17 o 0.64972  0.310123  -0.296186    1.11625  0.512053     1.61074  -1.04303     1.54835  0.797545 0.377384  0.666611 0.328328  
1 1 1 73 12 18 o 0.681637 0.310779  0.247811     0.944216 0.256417     1.47055  0.241774     1.23164  0.751328 0.357908  0.723037 0.338788  
1 1 1 73 12 19 o 0.900128 0.375879  1.48808      1.129    2.66417      1.65672  0.468328     1.54268  1.01899  0.441262  0.763693 0.364537  
1 1 1 73 12 20 o 0.637949 0.304997  0.0720832    1.09086  0.0631215    1.48438  0.0826062    1.6085   0.67377  0.329572  0.684098 0.336976  
1 1 1 73 13 0  o 3.6005   0.151526  13.2934      1.08674  13.2934      1.08674  13.2934      1.08674  3.62333  0.106248  ?        ?         
1 1 1 73 13 1  o 0.859233 0.308335  0.818703     0.675626 0.904598     0.971681 0.738307     0.940061 0.92122  0.36171   0.875509 0.351628  
1 1 1 73 13 2  o 0.8196   0.296971  0.724905     0.628075 -1.05816     0.853074 2.83552      0.928129 0.538961 0.260472  1.53646  0.312891  
1 1 1 73 13 3  o 0.579225 0.260653  -0.144313    0.633933 -0.479849    0.867822 0.239584     0.928259 0.617919 0.287937  0.760934 0.329918  
1 1 1 73 13 4  o 0.670313 0.290822  0.116903     0.722207 0.163729     1.12649  0.0842252    0.941052 0.79834  0.353901  0.734774 0.324879  
1 1 1 73 13 5  o 1.43391  0.276158  2.39689      0.763708 2.23926      1.19185  2.50671      0.994764 1.27656  0.411285  1.40384  0.354111  
1 1 1 73 13 6  f 1.48791  0.272814  2.5736       0.781564 1.05273      1.20453  3.6795       1.02714  0.975758 0.395481  1.78446  0.287802  
1 1 1 73 13 7  o 1.67314  0.230363  3.08512      0.770859 2.77602      1.19323  3.30653      1.00989  1.42747  0.40131   1.65087  0.317181  
1 1 1 73 13 8  o 2.24331  0.180161  5.35465      0.808312 4.54297      1.2585   5.92461      1.05459  1.90957  0.34189   2.31829  0.22745   
1 1 1 73 13 9  o 0.850803 0.335509  0.774102     0.839376 0.788419     1.33601  0.764765     1.0789   0.921538 0.397622  0.882809 0.367967  
1 1 1 73 13 10 o 1.60634  0.300813  3.16751      0.930666 4.63716      1.37469  1.92395      1.26453  1.8473   0.38476   1.13686  0.420316  
1 1 1 73 13 11 o 0.922931 0.362941  1.08049      0.979709 1.59285      1.39062  0.575579     1.38047  1.04023  0.423743  0.868815 0.387993  
1 1 1 73 13 12 o 1.28025  0.360849  2.30601      0.963537 1.5725       1.40604  2.95546      1.32304  1.02067  0.422406  1.35381  0.433045  
1 1 1 73 13 13 o 1.05555  0.376619  1.64284      1.00673  3.75814      1.44959  -0.327999    1.39922  1.5122   0.447957  0.747048 0.352716  
1 1 1 73 13 14 o 0.794305 0.340646  0.607064     0.969734 0.756176     1.60006  0.520495     1.21915  0.887809 0.404721  0.815045 0.364283  
1 1 1 73 13 15 o 0.867437 0.349597  1.08012      0.933803 -0.166772    1.51502  1.84404      1.18584  0.747206 0.35776   1.02872  0.400492  
1 1 1 73 13 16 o 1.03456  0.374124  1.82287      0.996392 2.45461      1.5646   1.39186      1.29234  1.05047  0.440786  0.901185 0.389981  
1 1 1 73 13 17 o 0.914012 0.365516  1.42668      1.00958  2.65981      1.67704  0.725767     1.26436  1.03801  0.446654  0.786168 0.358758  
1 1 1 73 13 18 o 1.04173  0.371859  1.91487      0.981543 3.24311      1.50847  0.939567     1.29262  1.175    0.452879  0.809614 0.367647  
1 1 1 73 13 19 o 0.75518  0.343345  0.977689     1.13493  2.6013       1.64798  -0.487059    1.56528  0.911113 0.414105  0.644931 0.320009  
1 1 1 73 14 0  o 0.896009 0.439692  1.3888       0.928338 1.3888       0.928338 1.3888       0.928338 0.98082  0.362356  ?        ?         
1 1 1 73 14 1  o 0.555661 0.257642  -0.386342    0.68388  -0.0819125   1.02525  -0.630375    0.91793  0.729705 0.329752  0.614313 0.288763  
1 1 1 73 14 2  o 1.67487  0.227308  3.07879      0.761424 4.12737      1.18473  2.34085      0.993871 1.83367  0.335535  1.34747  0.361298  
1 1 1 73 14 3  o 2.46721  0.159605  6.38175      0.787559 6.73202      1.21056  6.1247       1.03702  2.45759  0.24629   2.36995  0.218785  
1 1 1 73 14 4  o 0.728633 0.306566  0.326604     0.76021  -0.689981    1.19506  1.01758      0.985257 0.696539 0.328016  0.943422 0.365512  
1 1 1 73 14 5  f 4.27795  0.130951  18.9099      1.1204   16.1437      1.74132  20.8642      1.4636   3.83036  0.227305  4.45244  0.164359  
1 1 1 73 14 6  o 0.826342 0.320877  0.707562     0.760212 0.211442     1.17048  1.06954      0.999791 0.807133 0.358942  0.952145 0.368341  
1 1 1 73 14 7  o 0.567387 0.26633   -0.520502    0.773602 0.152427     1.23549  -0.954478    0.992175 0.805367 0.363069  0.595764 0.286276  
1 1 1 73 14 8  o 1.22737  0.328944  1.9449       0.824077 1.07051      1.24943  2.61815      1.09636  0.953603 0.396634  1.37191  0.384348  
1 1 1 73 14 9  o 0.740572 0.315949  0.383297     0.826606 0.126333     1.21196  0.606803     1.1303   0.781345 0.355125  0.843274 0.364815  
1 1 1 73 14 10 o 0.858594 0.339671  0.873083     0.8629   0.342101     1.43239  1.17555      1.08109  0.840142 0.382974  0.945662 0.378211  
1 1 1 73 14 11 o 1.36949  0.335021  2.51565      0.91132  2.31048      1.39689  2.66768      1.20246  1.17021  0.439939  1.30963  0.412151  
1 1 1 73 14 12 o 1.18891  0.354694  1.99998      0.906645 1.96905      1.39978  2.02233      1.18999  1.08871  0.432017  1.12942  0.408816  
1 1 1 73 14 13 o 0.813858 0.342183  0.720002     0.946019 -0.115561    1.58949  1.17834      1.17723  0.791419 0.374675  0.925609 0.384997  
1 1 1 73 14 14 o 0.635744 0.296845  -0.142737    0.928288 1.00952      1.49992  -0.858082    1.18182  0.869049 0.395008  0.621063 0.3016    
1 1 1 73 14 15 o 0.610341 0.288682  -0.301549    0.941643 0.322692     1.45487  -0.751568    1.23528  0.767272 0.361499  0.63224  0.307441  
1 1 1 73 14 16 o 0.786511 0.340232  0.834878     0.982964 -1.48658     1.64609  2.12147      1.22544  0.647121 0.322059  1.03325  0.406044  
1 1 1 73 14 17 o 2.28733  0.240319  6.46546      1.09938  7.92045      1.79665  5.59458      1.38998  2.11155  0.439915  1.86905  0.385011  
1 1 1 73 14 18 o 0.685793 0.313293  0.483403     0.967313 1.4132       1.49078  -0.192732    1.27127  0.810918 0.377685  0.643044 0.312441  
1 1 1 73 15 0  o 0.560848 0.374564  0.0104723    1.10638  0.0104723    1.10638  0.0104723    1.10638  0.483495 0.320626  ?        ?         
1 1 1 73 15 1  o 1.39478  0.284364  2.30517      0.765765 1.68621      1.22771  2.69931      0.979692 1.11408  0.4137    1.46282  0.340864  
1 1 1 73 15 2  o 2.05825  0.192347  4.54869      0.791794 5.21348      1.25229  4.10591      1.02201  2.10478  0.297488  1.89318  0.269918  
1 1 1 73 15 3  o 0.724975 0.305982  0.327856     0.761233 -0.289036    1.16956  0.781271     1.00269  0.73293  0.338721  0.880865 0.359485  
1 1 1 73 15 4  o 0.68287  0.299632  0.11575      0.784159 0.676417     1.22235  -0.276356    1.02222  0.88844  0.381782  0.690124 0.318071  
1 1 1 73 15 5  o 2.27064  0.194655  5.58659      0.883982 3.98968      1.38412  6.68666      1.14879  1.67922  0.414173  2.44108  0.235305  
1 1 1 73 15 6  o 2.04397  0.226112  4.67014      0.924335 0.591012     1.67535  6.45522      1.10828  0.921887 0.41861   2.39752  0.231131  
1 1 1 73 15 7  o 0.763445 0.320956  0.477777     0.832153 0.152289     1.32456  0.690019     1.06959  0.80724  0.368057  0.850113 0.360938  
1 1 1 73 15 8  o 1.68185  0.253327  3.29039      0.852112 1.80021      1.27653  4.48807      1.14441  1.08524  0.416976  1.9128   0.299144  
1 1 1 73 15 9  o 1.00578  0.348219  1.39521      0.854998 2.04386      1.32011  0.926496     1.12216  1.12473  0.42638   0.888362 0.373056  
1 1 1 73 15 10 o 0.699905 0.309797  0.202275     0.858841 0.131509     1.27816  0.260526     1.15964  0.778589 0.357536  0.774703 0.35036   
1 1 1 73 15 11 o 2.5784   0.198885  7.39223      1.02561  5.66804      1.48643  8.95896      1.41693  1.99473  0.386378  2.74725  0.257881  
1 1 1 73 15 12 o 1.0876   0.367926  1.78189      0.952441 1.21746      1.5972   2.09335      1.18648  0.93523  0.417505  1.12599  0.408149  
1 1 1 73 15 13 o 0.964529 0.361534  1.47873      0.941972 0.722317     1.47842  1.99565      1.22216  0.828684 0.382154  1.04834  0.406899  
1 1 1 73 15 14 o 0.71415  0.318855  0.419854     0.93188  -1.70519     1.46209  1.87373      1.20935  0.610281 0.303697  1.00065  0.400095  
1 1 1 73 15 15 o 0.981325 0.366103  1.65935      0.963686 1.88657      1.49171  1.49659      1.2625   0.947243 0.414465  0.903568 0.388132  
1 1 1 73 15 16 o 0.673547 0.311349  0.154124     0.988913 -2.61421     1.67117  1.64585      1.22675  0.595285 0.300228  0.933206 0.390885  
1 1 1 73 15 17 o 0.9247   0.363255  1.65536      0.980448 0.779016     1.50297  2.30454      1.29359  0.754893 0.360212  0.981599 0.405634  
1 1 1 73 16 0  o 1.05972  0.525439  2.16355      1.33114  2.16355      1.33114  2.16355      1.33114  1.20351  0.4296    ?        ?         
1 1 1 73 16 1  o 2.72104  0.186504  7.99129      1.01497  8.28383      1.53346  7.76321      1.354    2.63517  0.290961  2.59205  0.261182  
1 1 1 73 16 2  o 2.04911  0.227623  4.70033      0.932851 5.62819      1.37466  3.90833      1.27004  2.13078  0.322573  1.69242  0.38395   
1 1 1 73 16 3  o 1.4299   0.293643  2.50669      0.810918 1.58049      1.26061  3.16049      1.05914  1.05399  0.412393  1.55119  0.34974   
1 1 1 73 16 4  o 0.809433 0.329268  0.663504     0.838484 -0.119099    1.33614  1.17192      1.07694  0.775726 0.359851  0.955588 0.379017  
1 1 1 73 16 5  o 2.42241  0.191192  6.40253      0.92629  4.90532      1.43647  7.46824      1.21192  1.86779  0.396525  2.56056  0.23665   
1 1 1 73 16 6  o 1.68398  0.258041  3.32196      0.86907  5.19875      1.40212  2.15112      1.10746  1.95249  0.372422  1.19995  0.39674   
1 1 1 73 16 7  o 1.41236  0.307754  2.5526       0.845174 2.82739      1.26468  2.33083      1.13614  1.3385   0.422907  1.23608  0.401843  
1 1 1 73 16 8  o 1.02535  0.351547  1.47246      0.869599 2.21663      1.31098  0.887765     1.16205  1.16114  0.428227  0.880647 0.375125  
1 1 1 73 16 9  o 2.27062  0.2093    5.78526      0.950482 7.84176      1.38423  3.95064      1.30742  2.55248  0.271154  1.63104  0.402685  
1 1 1 73 16 10 o 0.9827   0.348409  1.3627       0.860348 0.917073     1.22042  1.80296      1.21305  0.880684 0.380013  1.06175  0.406903  
1 1 1 73 16 11 o 1.27612  0.366556  2.44923      0.985144 2.46378      1.53415  2.43903      1.28511  1.12205  0.449799  1.17169  0.424768  
1 1 1 73 16 12 o 0.635912 0.297614  -0.135399    0.940229 -2.35424     1.46173  1.43052      1.22797  0.580396 0.290702  0.924476 0.389328  
1 1 1 73 16 13 o 1.22738  0.369076  2.44801      0.979054 1.66378      1.47104  3.07163      1.31179  0.929642 0.409135  1.25053  0.431479  
1 1 1 73 16 14 o 0.565391 0.273736  -0.689617    0.958462 -0.174692    1.46017  -1.07944     1.27048  0.709839 0.3426    0.606288 0.298635  
1 1 1 73 16 15 o 0.796754 0.34005   0.896592     0.958184 1.63898      1.584    0.468163     1.20331  0.903181 0.408917  0.744856 0.343981  
1 1 1 73 16 16 o 0.800404 0.341129  1.08892      0.961886 2.86728      1.5599   -0.00214587  1.22183  1.01066  0.432689  0.660919 0.317609  
1 1 1 73 17 0  o 0.754514 0.458744  1.06055      1.26557  1.06055      1.26557  1.06055      1.26557  0.757175 0.416294  ?        ?         
1 1 1 73 17 1  o 0.804941 0.333141  0.646761     0.874626 0.317206     1.29666  0.921871     1.18472  0.816635 0.369841  0.900293 0.380933  
1 1 1 73 17 2  o 0.864762 0.34505   0.885276     0.897466 1.00237      1.35505  0.793773     1.19785  0.926996 0.400217  0.876519 0.377329  
1 1 1 73 17 3  o 1.48096  0.310764  2.7974       0.891083 2.10874      1.32503  3.36602      1.20401  1.14509  0.428872  1.52729  0.392176  
1 1 1 73 17 4  o 0.665892 0.302574  -0.0316412   0.878583 -0.685056    1.31003  0.502502     1.18445  0.69671  0.333365  0.820247 0.363343  
1 1 1 73 17 5  o 2.07324  0.221879  4.87357      0.920017 5.79333      1.46044  4.26841      1.18463  2.05493  0.36873   1.79277  0.34264   
1 1 1 73 17 6  o 1.64571  0.272283  3.26025      0.896196 2.86898      1.42451  3.51657      1.15296  1.29206  0.449266  1.58364  0.370276  
1 1 1 73 17 7  o 1.69688  0.257489  3.41216      0.873854 3.85628      1.33334  3.07776      1.15697  1.59051  0.414865  1.44263  0.391177  
1 1 1 73 17 8  o 1.48767  0.306358  2.85216      0.880323 1.14712      1.3225   4.20873      1.17964  0.927725 0.397835  1.76281  0.34695   
1 1 1 73 17 9  o 0.929906 0.351425  1.22771      0.894444 0.795971     1.27969  1.64008      1.25068  0.854696 0.378254  1.00778  0.405236  
1 1 1 73 17 10 o 0.727899 0.317258  0.483782     0.867041 2.07051      1.28755  -0.832794    1.17283  1.05813  0.416083  0.620978 0.301211  
1 1 1 73 17 11 o 1.43623  0.340907  3.01748      0.965858 2.84469      1.60768  3.11506      1.2082   1.11911  0.455703  1.33098  0.411996  
1 1 1 73 17 12 o 1.54617  0.335896  3.49543      1.00962  3.19852      1.55497  3.71183      1.3275   1.17252  0.45817   1.4047   0.431261  
1 1 1 73 17 13 o 1.14745  0.374429  2.23611      0.986405 3.05097      1.49672  1.61042      1.31153  1.15832  0.450145  0.923317 0.396071  
1 1 1 73 17 14 o 0.558641 0.272029  -0.785272    0.974637 2.33713      1.63337  -2.51172     1.21456  0.988201 0.433032  0.503585 0.254113  
1 1 1 73 17 15 o 1.07036  0.375466  2.21896      0.996793 1.011        1.66433  2.89461      1.24473  0.777288 0.372839  1.12732  0.416968  
1 1 1 73 18 0  o 0.738683 0.450205  1.03061      1.22543  1.03061      1.22543  1.03061      1.22543  0.743117 0.409225  ?        ?         
1 1 1 73 18 1  o 1.16846  0.368051  1.97666      0.958615 3.3706       1.29646  0.295313     1.42385  1.47394  0.419582  0.822885 0.377661  
1 1 1 73 18 2  o 1.35449  0.34173   2.49722      0.926287 3.04782      1.35127  2.00915      1.27223  1.36118  0.437867  1.11627  0.419814  
1 1 1 73 18 3  o 0.85295  0.345539  0.870248     0.918891 0.834992     1.29988  0.905464     1.29913  0.88235  0.386478  0.893459 0.388881  
1 1 1 73 18 4  o 1.93857  0.255702  4.44411      0.991393 4.92751      1.35291  3.88349      1.45695  1.87989  0.373097  1.53852  0.447026  
1 1 1 73 18 5  o 1.82042  0.290385  4.10752      1.05725  4.7875       1.45069  3.33723      1.54401  1.78164  0.414545  1.35633  0.468104  
1 1 1 73 18 6  o 0.891127 0.354721  1.04774      0.946403 -0.299562    1.41667  2.13365      1.27184  0.746337 0.353516  1.13154  0.420892  
1 1 1 73 18 7  o 2.1192   0.216319  5.14178      0.916845 5.63379      1.40828  4.77981      1.2079   1.99576  0.366512  1.913    0.315707  
1 1 1 73 18 8  o 1.27059  0.338833  2.33549      0.877094 2.41471      1.34258  2.2765       1.15848  1.1297   0.429488  1.14526  0.40447   
1 1 1 73 18 9  o 2.88895  0.179995  9.33927      1.03999  9.23096      1.48336  9.44399      1.4585   2.6892   0.2758    2.74067  0.266084  
1 1 1 73 18 10 o 0.92099  0.362151  1.39385      0.975381 0.0538318    1.61152  2.16854      1.2253   0.756178 0.36372   1.06119  0.408342  
1 1 1 73 18 11 o 0.66582  0.306267  0.162573     0.942261 0.19856      1.51449  0.139845     1.20357  0.747106 0.357708  0.704472 0.331001  
1 1 1 73 18 12 o 0.784898 0.344225  0.784432     1.03385  -1.11909     1.63368  2.05597      1.33522  0.6705   0.331322  1.00609  0.413415  
1 1 1 73 18 13 o 0.725199 0.327389  0.5199       1.00811  -0.782981    1.65205  1.29289      1.2725   0.681772 0.335997  0.857151 0.37854   
1 1 1 73 18 14 o 0.778835 0.3422    1.04639      1.02562  3.38333      1.85078  0.0106953    1.2321   0.983411 0.443796  0.654021 0.315425  
1 1 1 73 19 0  o 2.51115  0.281005  7.21826      1.37102  7.21826      1.37102  7.21826      1.37102  2.60285  0.188501  ?        ?         
1 1 1 73 19 1  o 1.77247  0.261069  3.76131      0.925474 4.68431      1.32422  2.88002      1.29394  1.81601  0.377173  1.31885  0.428844  
1 1 1 73 19 2  o 2.0376   0.253203  4.92657      1.03185  5.26762      1.38534  4.50158      1.54644  1.93729  0.370769  1.64061  0.455449  
1 1 1 73 19 3  o 1.78853  0.290615  4.00118      1.03955  3.16954      1.38722  5.06637      1.56997  1.35323  0.444032  1.76746  0.444277  
1 1 1 73 19 4  o 0.768285 0.332967  0.543165     0.944757 -0.655047    1.2646   2.05662      1.42125  0.672032 0.322991  1.07163  0.431542  
1 1 1 73 19 5  f 0.642192 0.29973   -0.172042    0.945156 -0.16943     1.28661  -0.175105    1.39303  0.717385 0.338567  0.734938 0.349267  
1 1 1 73 19 6  o 0.915794 0.36133   1.30651      0.974029 2.58386      1.3937   0.0869162    1.36183  1.1419   0.436575  0.745437 0.350784  
1 1 1 73 19 7  o 0.857716 0.344978  1.08241      0.906685 1.90088      1.28191  0.263094     1.28258  1.00751  0.408137  0.748252 0.349202  
1 1 1 73 19 8  f 0.68492  0.311231  0.247191     0.929743 0.9121       1.3169   -0.413613    1.31282  0.826142 0.373505  0.675609 0.325777  
1 1 1 73 19 9  o 0.706014 0.319584  0.380452     0.967014 1.02339      1.38745  -0.226902    1.34851  0.832442 0.37878   0.691286 0.332559  
1 1 1 73 19 10 o 0.876291 0.354208  1.24152      0.962583 0.627451     1.51164  1.66035      1.24841  0.791308 0.371593  0.937816 0.393637  
1 1 1 73 19 11 o 0.570178 0.275742  -0.655816    0.962102 -1.31406     1.61423  -0.293161    1.19817  0.652826 0.324069  0.660113 0.316564  
1 1 1 73 19 12 o 1.55446  0.353553  3.78649      1.07467  3.54864      1.66811  3.95525      1.40513  1.1405   0.464262  1.3617   0.446889  
1 1 1 73 19 13 o 0.489372 0.244005  -1.33867     0.966807 -1.36225     1.6629   -1.32663     1.18828  0.608574 0.306221  0.538727 0.26888   
1 1 1 73 20 0  o 0.460071 0.33471   -1.74819     1.5559   -1.74819     1.5559   -1.74819     1.5559   0.368922 0.270772  ?        ?         
1 1 1 73 20 1  o 0.951798 0.380029  1.49958      1.0893   1.95779      1.43333  0.873086     1.67599  1.01078  0.422894  0.857861 0.3999    
1 1 1 73 20 2  o 0.883883 0.362743  1.1875       1.02668  0.534452     1.3532   2.07336      1.57604  0.794904 0.366209  1.01142  0.434033  
1 1 1 73 20 3  o 2.59504  0.209673  7.81217      1.08822  7.21823      1.46234  8.54928      1.62908  2.30118  0.317736  2.48254  0.328108  
1 1 1 73 20 4  o 1.14684  0.37375   2.15874      0.982834 3.37418      1.32355  0.664656     1.46744  1.34824  0.433316  0.812781 0.377069  
1 1 1 73 20 5  o 1.89877  0.265182  4.56532      1.00704  4.12199      1.35005  5.12139      1.51201  1.52913  0.425892  1.69187  0.442013  
1 1 1 73 20 6  o 1.30357  0.387785  2.86404      1.08476  2.35261      1.44883  3.51645      1.63639  1.04589  0.430355  1.21554  0.471029  
1 1 1 73 20 7  o 1.90354  0.2705    4.69302      1.02982  4.67843      1.36384  4.71237      1.57074  1.64341  0.414685  1.50189  0.47074   
1 1 1 73 20 8  o 1.34606  0.36497   2.89002      1.00718  4.16725      1.40242  1.52959      1.44738  1.47567  0.44132   0.900266 0.399856  
1 1 1 73 20 9  o 0.570993 0.279074  -0.935587    1.0587   -1.67294     1.56474  -0.313047    1.43777  0.627493 0.312528  0.699158 0.337938  
1 1 1 73 20 10 o 0.939584 0.368502  1.57709      1.00779  1.99894      1.44816  1.18094      1.40335  0.954594 0.412954  0.839138 0.381591  
1 1 1 73 20 11 o 1.36478  0.388045  3.38632      1.10953  3.39832      1.6966   3.37735      1.46663  1.05698  0.451845  1.14014  0.445079  
1 1 1 73 20 12 o 0.649104 0.306356  0.213678     1.05366  -1.00587     1.74421  0.914448     1.32218  0.634931 0.317817  0.741904 0.348236  
1 1 1 73 21 0  o 1.18704  0.577875  3.32347      1.59864  3.32347      1.59864  3.32347      1.59864  1.4832   0.438795  ?        ?         
1 1 1 73 21 1  o 0.723101 0.33397   0.304761     1.1347   -1.00752     1.66476  1.44339      1.55071  0.68423  0.337227  0.894213 0.404741  
1 1 1 73 21 2  o 0.708306 0.327114  0.253321     1.08834  0.181104     1.56652  0.3207       1.51315  0.758559 0.363339  0.766009 0.364024  
1 1 1 73 21 3  o 1.31512  0.404707  3.08399      1.16814  2.18188      1.66064  3.96755      1.64348  0.977926 0.432084  1.29412  0.479031  
1 1 1 73 21 4  o 1.39286  0.377727  3.18422      1.0787   2.93711      1.42655  3.51416      1.64841  1.15152  0.441273  1.18925  0.469793  
1 1 1 73 21 5  o 2.44111  0.230873  7.24193      1.12718  7.87382      1.43953  6.24056      1.81217  2.40542  0.299227  1.69986  0.50005   
1 1 1 73 21 6  o 1.26543  0.394088  2.79757      1.10321  2.51015      1.48591  3.1506       1.64682  1.05899  0.435799  1.13304  0.461269  
1 1 1 73 21 7  o 1.94054  0.299756  5.11225      1.16337  3.74655      1.59241  6.67561      1.70375  1.26995  0.47124   1.90935  0.452499  
1 1 1 73 21 8  o 1.57627  0.357666  3.85903      1.10194  3.9821       1.44301  3.68685      1.70674  1.37377  0.452873  1.17996  0.473839  
1 1 1 73 21 9  o 0.645954 0.30868   -0.0839444   1.11403  -0.000259095 1.50627  -0.184994    1.65518  0.700964 0.34043   0.701799 0.344575  
1 1 1 73 21 10 o 1.30123  0.402939  3.44784      1.15552  3.65765      1.51629  3.1572       1.78462  1.11502  0.447093  0.948587 0.431083  
1 1 1 73 22 0  o 0.850087 0.51767   1.98831      1.61724  1.98831      1.61724  1.98831      1.61724  0.953    0.484295  ?        ?         
1 1 1 73 22 1  o 0.804655 0.355634  0.878414     1.12614  1.24897      1.61749  0.529819     1.56882  0.864796 0.399156  0.788085 0.372688  
1 1 1 73 22 2  o 1.01789  0.388664  1.90182      1.10342  0.178265     1.58383  3.5273       1.53811  0.758519 0.363806  1.25011  0.463284  
1 1 1 73 22 3  o 0.625695 0.302526  -0.585108    1.15575  0.753994     1.74363  -1.63451     1.54354  0.821654 0.390609  0.626411 0.311768  
1 1 1 73 22 4  o 0.596215 0.290295  -0.769975    1.10888  -0.713172    1.57325  -0.826055    1.5632   0.685109 0.336239  0.675597 0.332723  
1 1 1 73 22 5  o 0.678578 0.317817  0.104957     1.07954  0.42615      1.54654  -0.200269    1.50761  0.765879 0.365441  0.70766  0.342738  
1 1 1 73 22 6  o 1.31694  0.412744  3.29132      1.20757  1.47364      1.76196  4.90137      1.65828  0.858103 0.402638  1.43905  0.485479  
1 1 1 73 22 7  o 1.02711  0.400616  2.30711      1.18772  4.04308      1.70375  0.66586      1.65662  1.16684  0.47141   0.756272 0.364988  
1 1 1 73 22 8  o 0.64642  0.310751  0.0568497    1.17221  -0.227735    1.63246  0.35978      1.68425  0.666379 0.329747  0.707001 0.347277  
1 1 1 73 23 0  o 0.497882 0.357969  -0.831414    1.53022  -0.831414    1.53022  -0.831414    1.53022  0.420181 0.301856  ?        ?         
1 1 1 73 23 1  o 0.65976  0.316084  -0.150824    1.18719  -0.354041    1.81475  0.00121243   1.56968  0.71864  0.353932  0.719669 0.348889  
1 1 1 73 23 2  o 0.968671 0.38733   1.88046      1.13349  2.45934      1.61729  1.3216       1.58908  0.974999 0.429045  0.836106 0.389618  
1 1 1 73 23 3  o 0.83012  0.360885  1.23399      1.11634  0.835111     1.58765  1.62404      1.56999  0.776745 0.37054   0.858147 0.394986  
1 1 1 73 23 4  o 1.34591  0.391587  3.36812      1.11726  1.66072      1.53671  5.28266      1.62726  0.845377 0.389762  1.45704  0.480916  
1 1 1 73 23 5  o 0.667266 0.315611  0.293591     1.12556  0.0874989    1.65776  0.469858     1.53312  0.689237 0.339468  0.708893 0.34402   
1 1 1 73 23 6  o 0.909241 0.384622  1.9565       1.20727  1.29929      1.74236  2.56341      1.67435  0.774549 0.373933  0.90132  0.411932  
1 1 1 73 24 0  o 0.621127 0.42532   0.812766     1.59027  0.812766     1.59027  0.812766     1.59027  0.606844 0.395294  ?        ?         
1 1 1 73 24 1  o 0.637409 0.305015  0.0588505    1.09726  -1.90644     1.50919  2.26266      1.59814  0.563472 0.284193  0.878124 0.401796  
1 1 1 74 0  0  o 7.7283   0.174827  60.5174      2.6991   60.5174      2.6991   60.5174      2.6991   7.75383  0.123142  ?        ?         
1 1 1 74 0  1  o 0.763458 0.423702  0.893033     0.93891  0.893033     0.93891  0.893033     0.93891  0.758644 0.371909  ?        ?         
1 1 1 74 0  2  o 0.646031 0.382803  0.546284     0.838961 0.546284     0.838961 0.546284     0.838961 0.60751  0.336939  ?        ?         
1 1 1 74 0  3  o 0.745767 0.403214  0.862184     0.828318 0.862184     0.828318 0.862184     0.828318 0.751617 0.351397  ?        ?         
1 1 1 74 0  4  o 0.583501 0.362325  0.328452     0.823925 0.328452     0.823925 0.328452     0.823925 0.525527 0.315546  ?        ?         
1 1 1 74 0  5  o 4.79466  0.129445  23.1973      1.23924  23.1973      1.23924  23.1973      1.23924  4.80555  0.0912475 ?        ?         
1 1 1 74 0  6  o 2.32001  0.198311  5.58783      0.9047   5.58783      0.9047   5.58783      0.9047   2.34248  0.137635  ?        ?         
1 1 1 74 0  7  o 0.450564 0.306455  -0.301334    0.802078 -0.301334    0.802078 -0.301334    0.802078 0.365196 0.25113   ?        ?         
1 1 1 74 0  8  o 3.25417  0.150529  10.7623      0.974915 10.7623      0.974915 10.7623      0.974915 3.26746  0.105741  ?        ?         
1 1 1 74 0  9  o 0.561368 0.363605  0.115198     0.93438  0.115198     0.93438  0.115198     0.93438  0.484867 0.31115   ?        ?         
1 1 1 74 0  10 o 1.34145  0.391563  2.30854      0.911148 2.30854      0.911148 2.30854      0.911148 1.44445  0.243907  ?        ?         
1 1 1 74 0  11 o 0.98488  0.431914  1.49937      0.881617 1.49937      0.881617 1.49937      0.881617 1.07723  0.331623  ?        ?         
1 1 1 74 0  12 o 1.19031  0.417441  1.97513      0.898689 1.97513      0.898689 1.97513      0.898689 1.30524  0.27699   ?        ?         
1 1 1 74 0  13 o 0.544876 0.352516  0.138982     0.8745   0.138982     0.8745   0.138982     0.8745   0.47441  0.302827  ?        ?         
1 1 1 74 0  14 o 1.57924  0.326677  2.92391      0.910366 2.92391      0.910366 2.92391      0.910366 1.65463  0.201252  ?        ?         
1 1 1 74 0  15 o 0.471747 0.322368  -0.321713    0.90344  -0.321713    0.90344  -0.321713    0.90344  0.385379 0.265479  ?        ?         
1 1 1 74 0  16 f 1.75943  0.337054  3.62987      1.05856  3.62987      1.05856  3.62987      1.05856  1.84207  0.209324  ?        ?         
1 1 1 74 0  17 o 2.20555  0.2575    5.31809      1.10071  5.31809      1.10071  5.31809      1.10071  2.25774  0.174776  ?        ?         
1 1 1 74 0  18 o 1.68881  0.424471  3.69601      1.23849  3.69601      1.23849  3.69601      1.23849  1.82601  0.250218  ?        ?         
1 1 1 74 0  19 o 0.958151 0.498744  1.71565      1.23004  1.71565      1.23004  1.71565      1.23004  1.04716  0.425484  ?        ?         
1 1 1 74 0  20 o 2.90788  0.251773  9.24735      1.439    9.24735      1.439    9.24735      1.439    2.97616  0.172266  ?        ?         
1 1 1 74 0  21 o 0.468821 0.332804  -0.852398    1.20974  -0.852398    1.20974  -0.852398    1.20974  0.379939 0.271914  ?        ?         
1 1 1 74 0  22 o 0.936782 0.536807  2.01427      1.56816  2.01427      1.56816  2.01427      1.56816  1.0384   0.483604  ?        ?         
1 1 1 74 0  23 o 0.473893 0.3406    -1.03284     1.38194  -1.03284     1.38194  -1.03284     1.38194  0.388508 0.280381  ?        ?         
1 1 1 74 0  24 o 0.401198 0.29566   -2.1879      1.39002  -2.1879      1.39002  -2.1879      1.39002  0.31448  0.233381  ?        ?         
1 1 1 74 0  25 o 0.816407 0.49751   1.79937      1.49604  1.79937      1.49604  1.79937      1.49604  0.90816  0.464831  ?        ?         
1 1 1 74 1  0  o 4.44555  0.12756   19.9428      1.13204  19.9428      1.13204  19.9428      1.13204  4.45568  0.0899085 ?        ?         
1 1 1 74 1  1  o 0.634847 0.277534  -0.0643852   0.66766  0.13048      0.967977 -0.241225    0.92212  0.796169 0.340854  0.709025 0.316858  
1 1 1 74 1  2  o 1.84204  0.170881  3.47554      0.629541 2.36636      0.896675 4.55376      0.884068 1.45441  0.317057  2.09559  0.210935  
1 1 1 74 1  3  o 4.83761  0.0850854 23.5463      0.82322  24.9774      1.20364  22.2885      1.12841  4.96696  0.121165  4.69244  0.120237  
1 1 1 74 1  4  o 1.9609   0.155126  3.92591      0.608373 3.45782      0.858353 4.39843      0.862401 1.81594  0.236338  2.05833  0.20949   
1 1 1 74 1  5  f 1.04903  0.277162  1.2165       0.590301 0.857738     0.851376 1.54863      0.819177 0.941094 0.345285  1.17001  0.333671  
1 1 1 74 1  6  o 1.04081  0.277425  1.19751      0.58816  0.988818     0.846873 1.39197      0.817473 0.979748 0.345841  1.11339  0.337742  
1 1 1 74 1  7  o 1.42777  0.210318  2.11934      0.600572 2.53745      0.880141 1.75504      0.821556 1.51071  0.301977  1.24363  0.326242  
1 1 1 74 1  8  o 1.53027  0.207169  2.43798      0.634048 3.30042      0.926544 1.67842      0.869528 1.75937  0.263317  1.20893  0.343455  
1 1 1 74 1  9  o 0.67866  0.281472  0.204926     0.626436 -0.248022    0.851369 0.739652     0.925039 0.672172 0.302295  0.914319 0.35418   
1 1 1 74 1  10 o 2.3117   0.141327  5.46142      0.653409 5.60317      0.924319 5.31982      0.923802 2.31678  0.199484  2.25486  0.204847  
1 1 1 74 1  11 o 3.12377  0.113984  9.90611      0.712122 10.2793      1.00369  9.5278       1.01053  3.1599   0.158817  3.03799  0.166315  
1 1 1 74 1  12 o 0.488181 0.232844  -0.705887    0.626254 -0.163462    0.878863 -1.26541     0.89261  0.691589 0.309194  0.545092 0.263953  
1 1 1 74 1  13 o 1.82816  0.180401  3.48007      0.659603 3.15532      0.928842 3.81044      0.936849 1.69733  0.273619  1.87917  0.249272  
1 1 1 74 1  14 o 1.2278   0.280517  1.7219       0.67405  1.755        0.913336 1.68232      0.998904 1.20471  0.355195  1.17422  0.376346  
1 1 1 74 1  15 o 2.17008  0.171436  4.91634      0.744061 5.03719      1.03849  4.78885      1.0666   2.1531   0.241162  2.08937  0.255243  
1 1 1 74 1  16 o 2.17687  0.177743  4.984        0.773843 4.99592      1.09904  4.97228      1.08978  2.12057  0.259138  2.11697  0.257392  
1 1 1 74 1  17 o 0.626345 0.287341  -0.314206    0.823294 0.202316     1.21716  -0.749843    1.1178   0.826085 0.366823  0.669446 0.315835  
1 1 1 74 1  18 o 1.08254  0.348888  1.49017      0.857597 2.31395      1.24665  0.750085     1.18161  1.28204  0.420933  0.909195 0.382354  
1 1 1 74 1  19 o 1.10008  0.34592   1.58619      0.847278 3.3039       1.27823  0.239967     1.13159  1.52702  0.409869  0.793579 0.352922  
1 1 1 74 1  20 o 0.831979 0.337138  0.755271     0.875094 0.980175     1.20491  0.504216     1.27304  0.914967 0.385505  0.84181  0.374351  
1 1 1 74 1  21 o 0.89421  0.362136  1.01744      1.00883  0.9298       1.46384  1.09672      1.39225  0.911144 0.403727  0.931803 0.404024  
1 1 1 74 1  22 o 0.806307 0.35175   0.647361     1.06783  0.568226     1.50018  0.728634     1.52032  0.844012 0.387481  0.865403 0.394507  
1 1 1 74 1  23 o 0.523413 0.258811  -1.36507     1.001    -0.271109    1.42678  -2.42547     1.40473  0.708841 0.341265  0.559539 0.281548  
1 1 1 74 1  24 o 0.90337  0.365949  1.37558      1.03059  3.43234      1.48776  -0.521798    1.42896  1.24854  0.456601  0.679975 0.330657  
1 1 1 74 1  25 o 0.86694  0.366623  1.47091      1.09642  0.95759      1.58632  1.94043      1.51713  0.777694 0.370848  0.888326 0.401297  
1 1 1 74 2  0  o 1.51193  0.3566    2.72856      0.935714 2.72856      0.935714 2.72856      0.935714 1.59471  0.216294  ?        ?         
1 1 1 74 2  1  o 1.73227  0.183623  3.08947      0.636169 2.68535      0.910078 3.47563      0.889629 1.55594  0.303274  1.81728  0.24477   
1 1 1 74 2  2  o 1.92927  0.160508  3.80627      0.619329 3.27738      0.876265 4.33419      0.875462 1.76325  0.24848   2.04112  0.214456  
1 1 1 74 2  3  o 3.57624  0.0986611 12.899       0.705672 12.4361      1.01306  13.3354      0.983536 3.49433  0.144958  3.62251  0.135753  
1 1 1 74 2  4  o 3.45311  0.103807  12.0374      0.716914 11.4657      1.04737  12.5414      0.983393 3.3501   0.156319  3.51107  0.140042  
1 1 1 74 2  5  o 0.847968 0.291744  0.730304     0.599351 -0.246031    0.915161 1.46357      0.793102 0.702546 0.314766  1.13865  0.329488  
1 1 1 74 2  6  o 1.16541  0.268191  1.50088      0.612522 1.56616      0.913328 1.44753      0.82575  1.16992  0.357415  1.13003  0.33878   
1 1 1 74 2  7  o 2.82788  0.118661  8.1092       0.671117 7.00911      0.993006 9.03419      0.91055  2.60091  0.190896  2.97131  0.153223  
1 1 1 74 2  8  o 0.767665 0.289355  0.519814     0.605068 0.386632     0.906594 0.626788     0.812507 0.821129 0.339467  0.855835 0.331854  
1 1 1 74 2  9  o 3.0288   0.114273  9.30771      0.692218 9.35937      0.964479 9.25284      0.99408  3.01626  0.15988   2.99583  0.165911  
1 1 1 74 2  10 o 0.898013 0.296717  0.878174     0.619444 1.28656      0.86308  0.444333     0.889572 1.06044  0.350241  0.823727 0.337787  
1 1 1 74 2  11 o 3.95103  0.0982193 15.7955      0.776134 15.2863      1.07812  16.3433      1.11822  3.86402  0.139507  3.99508  0.139949  
1 1 1 74 2  12 o 1.71739  0.191133  3.08562      0.656498 2.59347      0.906943 3.62733      0.951518 1.49901  0.312747  1.82763  0.260314  
1 1 1 74 2  13 o 2.25616  0.157628  5.25988      0.711266 6.41295      0.983726 3.99676      1.02961  2.46718  0.199363  1.90779  0.269843  
1 1 1 74 2  14 o 1.33021  0.27795   2.02501      0.71542  2.15009      0.977318 1.8806       1.05011  1.32076  0.360148  1.22369  0.38517   
1 1 1 74 2  15 o 0.587383 0.270226  -0.363461    0.733836 -1.11416     1.02686  0.420108     1.0491   0.605109 0.290881  0.83739  0.356555  
1 1 1 74 2  16 o 0.572579 0.268654  -0.564786    0.784136 0.776854     1.19675  -1.57408     1.03799  0.92469  0.386619  0.560651 0.274557  
1 1 1 74 2  17 o 0.767451 0.319729  0.4232       0.813951 -0.453475    1.18181  1.21432      1.12266  0.722395 0.336386  1.00497  0.390001  
1 1 1 74 2  18 o 1.07765  0.334363  1.4777       0.795152 0.305737     1.11603  2.68596      1.13319  0.80851  0.356092  1.40354  0.389953  
1 1 1 74 2  19 o 0.679556 0.308827  -0.0709121   0.915997 1.9301       1.5091   -1.23821     1.15261  1.11216  0.445997  0.612243 0.297484  
1 1 1 74 2  20 o 1.28736  0.353845  2.30538      0.938813 2.38839      1.48895  2.25061      1.20954  1.17257  0.450391  1.19258  0.414049  
1 1 1 74 2  21 o 0.822389 0.361439  0.61671      1.14485  0.930091     1.60799  0.294543     1.63037  0.912562 0.412644  0.841488 0.393101  
1 1 1 74 2  22 o 0.712224 0.328339  0.180738     1.09017  -0.359613    1.41443  0.971488     1.71105  0.709196 0.341032  0.867845 0.404364  
1 1 1 74 2  23 o 0.797058 0.345905  0.876509     1.02221  1.00756      1.47878  0.756582     1.41461  0.831102 0.382862  0.799206 0.37056   
1 1 1 74 2  24 o 1.20496  0.394305  2.62987      1.09391  3.22852      1.61446  2.12176      1.48739  1.13545  0.458824  0.974854 0.420072  
1 1 1 74 2  25 o 1.11845  0.391304  2.64706      1.08206  2.92411      1.58874  2.40736      1.47781  0.966094 0.425183  0.918052 0.406363  
1 1 1 74 3  0  o 2.31816  0.202186  5.59017      0.920998 5.59017      0.920998 5.59017      0.920998 2.34179  0.140199  ?        ?         
1 1 1 74 3  1  o 1.23998  0.261135  1.68501      0.627271 1.51791      0.903129 1.84075      0.871886 1.15646  0.355845  1.26996  0.337444  
1 1 1 74 3  2  o 0.773832 0.291844  0.515107     0.615814 1.00783      0.897533 0.0768343    0.846492 0.99216  0.355447  0.737581 0.317354  
1 1 1 74 3  3  o 1.57406  0.200662  2.57026      0.631707 3.18614      0.899599 1.97115      0.887265 1.73158  0.259763  1.31231  0.336477  
1 1 1 74 3  4  o 2.95796  0.114381  8.85919      0.676667 7.79682      0.986047 9.8048       0.930289 2.75038  0.179257  3.09808  0.15014   
1 1 1 74 3  5  o 2.25568  0.14181   5.19027      0.639756 5.70442      0.960042 4.77958      0.85803  2.34002  0.205136  2.14403  0.200097  
1 1 1 74 3  6  o 3.36373  0.108259  11.4528      0.728309 12.973       1.03873  9.98271      1.02145  3.56277  0.145776  3.11645  0.16388   
1 1 1 74 3  7  o 1.29512  0.251202  1.84183      0.627453 0.567333     0.946881 2.83959      0.837802 0.872697 0.351904  1.62734  0.257415  
1 1 1 74 3  8  o 0.671297 0.276838  0.226042     0.600866 0.0816205    0.893    0.345522     0.812235 0.7463   0.323583  0.778115 0.321478  
1 1 1 74 3  9  o 1.7569   0.190076  3.21974      0.667888 1.55929      0.962938 4.75907      0.92715  1.14929  0.369625  2.12212  0.218449  
1 1 1 74 3  10 o 0.856008 0.298466  0.770422     0.629072 0.95338      0.89041  0.588094     0.888877 0.956049 0.352855  0.85625  0.34274   
1 1 1 74 3  11 o 3.40298  0.117203  11.782       0.797678 11.9525      1.049    11.5481      1.22827  3.40625  0.153982  3.3269   0.184596  
1 1 1 74 3  12 o 0.602268 0.268821  -0.144315    0.66192  0.334067     0.896943 -0.716408    0.980868 0.792575 0.33321   0.641938 0.301066  
1 1 1 74 3  13 o 1.3479   0.269273  2.05979      0.700229 1.60872      0.934101 2.63841      1.05797  1.14707  0.363561  1.46502  0.362571  
1 1 1 74 3  14 o 0.548709 0.257039  -0.529232    0.707292 0.135405     0.974106 -1.27038     1.02865  0.764413 0.334693  0.589991 0.285288  
1 1 1 74 3  15 o 0.660668 0.291229  0.0147367    0.748477 -0.824268    1.07766  0.796628     1.04034  0.650286 0.308166  0.906867 0.367548  
1 1 1 74 3  16 o 2.54859  0.172324  6.85591      0.878366 7.50134      1.25961  6.24497      1.22549  2.60075  0.242163  2.35519  0.260167  
1 1 1 74 3  17 o 0.589591 0.27354   -0.398826    0.772375 -0.574644    1.08135  -0.2157      1.1036   0.673878 0.316057  0.728609 0.333595  
1 1 1 74 3  18 o 0.694639 0.312482  0.00779992   0.91032  0.0065258    1.4899   0.00855891   1.14992  0.826809 0.382182  0.757622 0.344762  
1 1 1 74 3  19 o 1.29378  0.342316  2.25968      0.899641 2.64117      1.43724  2.0139       1.15359  1.25228  0.449678  1.1494   0.403849  
1 1 1 74 3  20 o 1.22658  0.368131  2.17536      0.974669 1.51965      1.55917  2.59595      1.24873  1.00149  0.430802  1.2691   0.421285  
1 1 1 74 3  21 f 0.565302 0.277923  -1.30039     1.08278  -2.62509     1.74834  -0.47615     1.3791   0.638833 0.319417  0.709688 0.340166  
1 1 1 74 3  22 o 0.886736 0.376078  1.28971      1.15914  1.72399      1.54877  0.73668      1.74776  0.939359 0.415873  0.828318 0.392494  
1 1 1 74 3  23 o 0.91064  0.37622   1.44067      1.11235  2.58994      1.57292  0.290871     1.57329  1.05514  0.442316  0.766745 0.366504  
1 1 1 74 3  24 o 0.615116 0.294891  -0.211757    1.03763  0.547297     1.54042  -0.842253    1.40392  0.742053 0.356604  0.622436 0.307468  
1 1 1 74 4  0  o 0.693765 0.406954  0.686731     0.93263  0.686731     0.93263  0.686731     0.93263  0.665131 0.359731  ?        ?         
1 1 1 74 4  1  o 0.505536 0.237856  -0.610326    0.625671 -1.91736     0.902619 0.59853      0.868057 0.494098 0.244666  0.865144 0.341183  
1 1 1 74 4  2  o 1.91214  0.171415  3.76549      0.655538 3.03199      0.940472 4.45863      0.914228 1.65053  0.295595  2.06099  0.221793  
1 1 1 74 4  3  o 5.10319  0.0910111 26.2655      0.928893 27.2675      1.35764  25.3837      1.27368  5.17625  0.131141  4.99665  0.127454  
1 1 1 74 4  4  o 3.79515  0.099122  14.553       0.752365 13.8799      1.11261  15.1201      1.02126  3.68143  0.151111  3.85287  0.132533  
1 1 1 74 4  5  o 2.22654  0.142362  5.06727      0.63395  5.10879      0.912532 5.02853      0.881361 2.20928  0.206523  2.19453  0.200809  
1 1 1 74 4  6  o 2.32056  0.135727  5.49742      0.629925 6.10255      0.910846 4.94266      0.872114 2.42206  0.188031  2.17397  0.200581  
1 1 1 74 4  7  o 1.41706  0.216517  2.11833      0.613634 3.38142      0.904787 1.04251      0.835024 1.77248  0.255232  0.978845 0.343624  
1 1 1 74 4  8  o 1.96803  0.159921  3.99364      0.629457 3.63675      0.92278  4.30421      0.86082  1.83824  0.250996  2.01991  0.213084  
1 1 1 74 4  9  o 1.82687  0.176838  3.46696      0.646119 3.04538      0.926309 3.86643      0.90169  1.66711  0.277819  1.90112  0.237147  
1 1 1 74 4  10 o 0.76362  0.299825  0.475212     0.667621 0.73307      0.903589 0.165218     0.990734 0.893815 0.349263  0.788566 0.341354  
1 1 1 74 4  11 o 1.00411  0.29827   1.15841      0.642072 1.62072      0.866986 0.596875     0.955509 1.16317  0.346816  0.867464 0.351971  
1 1 1 74 4  12 o 2.07954  0.16666   4.49925      0.693151 4.09693      0.906435 5.06582      1.07568  1.94909  0.232528  2.1555   0.249519  
1 1 1 74 4  13 o 0.742068 0.298788  0.420739     0.681189 0.770022     0.917215 -0.00886399  1.01722  0.890503 0.350861  0.751831 0.334476  
1 1 1 74 4  14 o 1.70728  0.210637  3.13739      0.719233 3.22991      1.01428  3.04381      1.02004  1.6407   0.320535  1.58023  0.33316   
1 1 1 74 4  15 o 3.21697  0.140777  10.7289      0.90575  9.70311      1.30138  11.6926      1.2614   2.98684  0.217852  3.31029  0.190528  
1 1 1 74 4  16 o 0.918542 0.330202  0.991703     0.775159 2.39893      1.13881  -0.223151    1.05811  1.32598  0.397915  0.715595 0.327224  
1 1 1 74 4  17 o 1.28015  0.328642  2.09387      0.845639 1.77366      1.347    2.30216      1.08641  1.10773  0.427747  1.28371  0.389343  
1 1 1 74 4  18 o 0.664199 0.30509   -0.175427    0.931397 0.0631296    1.61325  -0.294702    1.14072  0.838945 0.391571  0.705077 0.329158  
1 1 1 74 4  19 o 0.657159 0.299753  -0.0783679   0.880537 0.11611      1.4289   -0.197436    1.11806  0.802707 0.372276  0.70313  0.327327  
1 1 1 74 4  20 o 0.707543 0.319486  0.141565     0.960542 0.672737     1.4718   -0.252531    1.26775  0.865061 0.392687  0.721933 0.339352  
1 1 1 74 4  21 o 0.765336 0.343925  0.551406     1.09985  -0.761313    1.78515  1.35457      1.39634  0.72934  0.358018  0.906553 0.398795  
1 1 1 74 4  22 f 0.621622 0.300919  -0.58061     1.15674  0.574974     1.59696  -1.85613     1.67778  0.787793 0.374183  0.631181 0.315591  
1 1 1 74 4  23 o 0.857173 0.363918  1.23455      1.08724  1.26156      1.52448  1.2066       1.55104  0.851002 0.390655  0.844461 0.39019   
1 1 1 74 4  24 o 0.564663 0.275916  -0.572736    1.03329  -2.22875     1.51513  0.86719      1.41282  0.549933 0.278072  0.738258 0.351269  
1 1 1 74 5  0  o 1.984    0.240374  4.22328      0.922149 4.22328      0.922149 4.22328      0.922149 2.02115  0.163783  ?        ?         
1 1 1 74 5  1  o 0.98573  0.29083   1.08789      0.612114 0.925075     0.916073 1.21922      0.822748 0.959555 0.35715   1.04053  0.34196   
1 1 1 74 5  2  o 4.15051  0.0942494 17.3967      0.782367 16.1278      1.16402  18.4423      1.05662  3.96865  0.146652  4.25807  0.124073  
1 1 1 74 5  3  o 3.5234   0.0989904 12.5517      0.697566 11.0367      0.99172  14.0354      0.981374 3.27987  0.151183  3.70973  0.132271  
1 1 1 74 5  4  o 0.792781 0.286233  0.614632     0.583021 -0.2599      0.843624 1.41419      0.806651 0.662983 0.299386  1.10547  0.33553   
1 1 1 74 5  5  o 0.967817 0.285661  1.05186      0.590433 0.847674     0.845968 1.24579      0.824444 0.92108  0.343136  1.0454   0.342312  
1 1 1 74 5  6  o 2.26719  0.140208  5.26244      0.635757 3.96224      0.895562 6.58337      0.902672 1.92893  0.23214   2.51755  0.179276  
1 1 1 74 5  7  o 3.39453  0.10448   11.6777      0.709319 11.6734      1.01702  11.6818      0.989791 3.36981  0.150901  3.37355  0.146699  
1 1 1 74 5  8  o 2.33376  0.146699  5.59336      0.684719 5.63352      0.930344 5.54588      1.01141  2.31553  0.200892  2.28574  0.221243  
1 1 1 74 5  9  o 4.04965  0.110153  16.6582      0.892158 16.4768      1.21073  16.8738      1.31971  3.99984  0.151347  4.03803  0.16341   
1 1 1 74 5  10 o 0.619386 0.273744  -0.0730955   0.667174 -0.137418    0.880193 0.0137665    1.02285  0.69165  0.309319  0.766992 0.338967  
1 1 1 74 5  11 o 3.3381   0.11429   11.3566      0.763025 10.7484      0.999848 12.2049      1.18073  3.22225  0.155148  3.41981  0.17263   
1 1 1 74 5  12 o 1.37137  0.261623  2.13153      0.691829 1.55481      0.921066 2.8781       1.04796  1.12161  0.361577  1.53306  0.349438  
1 1 1 74 5  13 o 1.58734  0.221359  2.73094      0.702743 1.68996      0.930065 4.11596      1.07281  1.1547   0.362293  1.90276  0.281908  
1 1 1 74 5  14 o 2.48974  0.154675  6.47221      0.770201 6.09535      1.07218  6.87403      1.10712  2.35938  0.227216  2.51204  0.220363  
1 1 1 74 5  15 o 3.37475  0.151257  11.8892      1.02091  8.48462      1.58018  14.3285      1.33754  2.69985  0.292642  3.67042  0.182205  
1 1 1 74 5  16 o 0.477625 0.235241  -1.38896     0.797262 -2.23078     1.25013  -0.811862    1.03507  0.573328 0.284685  0.626159 0.298819  
1 1 1 74 5  17 o 0.840396 0.337686  0.771375     0.867578 0.530627     1.3937   0.92369      1.10856  0.869545 0.389042  0.90226  0.374336  
1 1 1 74 5  18 o 0.979532 0.363449  1.33791      0.947197 1.59173      1.56456  1.19105      1.19007  1.01999  0.434899  0.944128 0.389521  
1 1 1 74 5  19 o 0.734116 0.321792  0.34478      0.902557 -0.354794    1.39725  0.845683     1.18232  0.740594 0.350932  0.868583 0.374404  
1 1 1 74 5  20 o 1.06623  0.397564  1.95427      1.13613  1.78155      1.76515  2.07643      1.48451  0.974757 0.436927  1.03987  0.432417  
1 1 1 74 5  21 o 0.621128 0.297426  -0.411195    1.04782  1.11545      1.60766  -1.53868     1.38159  0.856075 0.396202  0.602262 0.299084  
1 1 1 74 5  22 o 0.650008 0.307301  -0.17468     1.06592  -1.36798     1.50214  1.03564      1.51281  0.634057 0.314373  0.841576 0.387513  
1 1 1 74 5  23 o 0.577705 0.282384  -0.65511     1.08472  0.121238     1.54846  -1.40316     1.51997  0.701432 0.341796  0.60169  0.300841  
1 1 1 74 6  0  o 2.00475  0.224935  4.28194      0.876006 4.28194      0.876006 4.28194      0.876006 2.03831  0.153967  ?        ?         
1 1 1 74 6  1  o 0.808093 0.293516  0.640648     0.613872 0.656189     0.916266 0.62799      0.82689  0.88251  0.349738  0.853713 0.334005  
1 1 1 74 6  2  o 2.69094  0.126553  7.37942      0.681095 5.40559      1.01118  9.0186       0.921486 2.2587   0.223841  2.96078  0.155615  
1 1 1 74 6  3  o 3.3782   0.10462   11.5631      0.706855 11.3734      1.02922  11.7324      0.972481 3.32491  0.154774  3.38352  0.143708  
1 1 1 74 6  4  o 3.31888  0.101854  11.1546      0.676083 11.2219      0.948569 11.0851      0.963866 3.30881  0.14334   3.28672  0.14663   
1 1 1 74 6  5  o 2.15809  0.144205  4.77696      0.622417 4.85729      0.900964 4.70362      0.860867 2.14642  0.209876  2.11547  0.20347   
1 1 1 74 6  6  o 4.3335   0.0909093 18.9733      0.787911 19.6807      1.12969  18.3033      1.09947  4.39101  0.128637  4.23375  0.129846  
1 1 1 74 6  7  o 3.40224  0.115766  11.7741      0.78773  10.6154      1.11162  12.9429      1.11643  3.19655  0.173878  3.54147  0.157623  
1 1 1 74 6  8  o 2.96099  0.120709  8.93718      0.714835 10.297       0.99376  7.4792       1.02902  3.15714  0.157383  2.66946  0.192739  
1 1 1 74 6  9  o 0.651821 0.279969  0.0926881    0.656795 -0.136766    0.894756 0.360779     0.967159 0.695975 0.311544  0.815509 0.344577  
1 1 1 74 6  10 o 0.769682 0.302645  0.507121     0.681163 0.838112     0.89788  0.0583444    1.0455   0.909573 0.349644  0.776157 0.3429    
1 1 1 74 6  11 o 0.61589  0.272232  -0.0507375   0.660093 0.403248     0.882818 -0.626368    0.994081 0.793059 0.331853  0.650628 0.304772  
1 1 1 74 6  12 o 1.42492  0.237237  2.22686      0.676089 2.90736      0.899856 1.3448       1.02449  1.57333  0.296824  1.04611  0.379258  
1 1 1 74 6  13 o 0.931206 0.311265  1.02705      0.681674 0.40678      0.90365  1.8461       1.0384   0.788373 0.33309   1.18331  0.384163  
1 1 1 74 6  14 o 0.479486 0.236122  -1.35227     0.787009 -1.12155     1.18567  -1.53398     1.05224  0.648765 0.312037  0.566507 0.277193  
1 1 1 74 6  15 o 3.00188  0.169903  9.54856      1.02006  10.1504      1.41531  8.89793      1.47149  3.01895  0.234404  2.78885  0.263817  
1 1 1 74 6  16 o 0.738412 0.318663  0.326646     0.858376 0.375024     1.37107  0.29546      1.10081  0.848276 0.382439  0.787429 0.349355  
1 1 1 74 6  17 f 1.06082  0.354451  1.57056      0.883956 2.69372      1.48182  0.950087     1.10138  1.25052  0.455848  0.894256 0.372199  
1 1 1 74 6  18 o 0.757458 0.329866  0.420823     0.935705 0.268904     1.56537  0.505284     1.16718  0.83693  0.388724  0.812488 0.360196  
1 1 1 74 6  19 o 1.61286  0.306858  3.39655      0.954161 1.67721      1.50106  4.56232      1.23601  0.997074 0.425582  1.80839  0.354377  
1 1 1 74 6  20 o 1.04585  0.396887  1.98751      1.14478  1.30785      1.75539  2.49049      1.51008  0.890312 0.412796  1.07546  0.440406  
1 1 1 74 6  21 o 1.07928  0.386215  2.10939      1.05937  1.97036      1.61348  2.21473      1.40452  0.948619 0.421659  1.01592  0.421414  
1 1 1 74 6  22 o 0.768157 0.345169  0.758198     1.10762  0.799496     1.5115   0.710302     1.62778  0.791853 0.371799  0.788493 0.375918  
1 1 1 74 7  0  o 0.613904 0.374599  0.464512     0.85062  0.464512     0.85062  0.464512     0.85062  0.569583 0.330039  ?        ?         
1 1 1 74 7  1  o 1.13127  0.272111  1.44663      0.609058 1.85977      0.863248 1.03713      0.85944  1.25503  0.336813  0.976581 0.348025  
1 1 1 74 7  2  o 0.740776 0.290731  0.436477     0.627518 -0.122304    0.907911 0.947565     0.868302 0.709033 0.315699  0.950452 0.348703  
1 1 1 74 7  3  o 1.5744   0.198104  2.60038      0.62379  2.46099      0.894069 2.73259      0.870737 1.45826  0.315478  1.5543   0.290877  
1 1 1 74 7  4  o 2.39942  0.129438  5.87908      0.62115  6.07043      0.88442  5.69282      0.872577 2.413    0.183262  2.33485  0.186859  
1 1 1 74 7  5  o 0.840837 0.29157   0.74729      0.599641 1.11925      0.845076 0.370103     0.850995 0.997642 0.346116  0.78971  0.327831  
1 1 1 74 7  6  o 1.93991  0.165283  3.89942      0.641271 3.3792       0.87878  4.49199      0.937891 1.76703  0.248661  2.04926  0.228837  
1 1 1 74 7  7  o 0.680908 0.285161  0.211003     0.652714 0.142458     0.877263 0.296004     0.97691  0.744088 0.321644  0.805828 0.343622  
1 1 1 74 7  8  o 0.794703 0.300328  0.602608     0.65325  0.493568     0.893199 0.728006     0.957855 0.823779 0.338253  0.894954 0.356667  
1 1 1 74 7  9  o 0.832235 0.306476  0.713355     0.671277 0.804414     0.905852 0.602444     0.999736 0.900022 0.350107  0.869577 0.357593  
1 1 1 74 7  10 o 0.586043 0.270017  -0.374907    0.735935 -0.0363297   1.01137  -0.755924    1.07289  0.743152 0.331981  0.660931 0.311116  
1 1 1 74 7  11 o 0.707907 0.299021  0.257846     0.727962 -0.17075     1.05545  0.646732     1.00537  0.729767 0.331608  0.867892 0.358035  
1 1 1 74 7  12 o 0.799693 0.315541  0.603932     0.742851 1.66151      1.09566  -0.295795    1.01059  1.12378  0.393699  0.693951 0.318354  
1 1 1 74 7  13 o 1.36943  0.298152  2.25113      0.793862 1.2713       1.19504  3.02503      1.06206  1.02072  0.401021  1.54644  0.351298  
1 1 1 74 7  14 o 0.97939  0.33869   1.19432      0.808644 0.349861     1.22846  1.83999      1.07419  0.83906  0.371063  1.15961  0.390734  
1 1 1 74 7  15 o 0.645441 0.29371   -0.137335    0.834523 -0.606882    1.36207  0.144856     1.05592  0.731315 0.346512  0.754331 0.338034  
1 1 1 74 7  16 o 0.884379 0.343692  0.969539     0.872531 0.804742     1.42536  1.0683       1.10343  0.902125 0.399229  0.922155 0.376852  
1 1 1 74 7  17 o 2.04271  0.228415  4.7721       0.933169 5.61169      1.59538  4.33546      1.15051  1.9294   0.424902  1.82399  0.327256  
1 1 1 74 7  18 o 0.858012 0.347013  0.921917     0.924596 1.43204      1.55343  0.642059     1.1506   0.97454  0.424707  0.824944 0.362455  
1 1 1 74 7  19 o 2.20107  0.23792   5.84128      1.04736  6.19449      1.79183  5.65797      1.29084  1.79154  0.487269  2.04038  0.316323  
1 1 1 74 7  20 o 0.869029 0.362461  1.23508      1.04791  1.75985      1.54031  0.782916     1.42979  0.927266 0.41209   0.803895 0.37266   
1 1 1 74 7  21 o 1.03223  0.392285  2.00147      1.11972  3.13249      1.58607  0.877695     1.58099  1.14014  0.457225  0.818557 0.383598  
1 1 1 74 7  22 o 0.705521 0.328814  0.594727     1.13231  1.06887      1.51552  -0.00439196  1.70359  0.762144 0.363193  0.688546 0.339781  
1 1 1 74 8  0  o 1.79381  0.282759  3.59269      0.938919 3.59269      0.938919 3.59269      0.938919 1.84954  0.183635  ?        ?         
1 1 1 74 8  1  o 1.02793  0.289399  1.20995      0.620089 1.22729      0.838585 1.18903      0.921084 1.03198  0.345235  1.02428  0.360765  
1 1 1 74 8  2  o 0.83283  0.29532   0.719616     0.618151 1.21708      0.816664 0.0522432    0.9459   1.02727  0.340693  0.751754 0.329476  
1 1 1 74 8  3  o 1.68806  0.18746   2.98232      0.632889 4.1298       0.86029  1.6287       0.934374 1.97064  0.218277  1.16214  0.362833  
1 1 1 74 8  4  o 0.5182   0.241018  -0.43579     0.604431 0.366368     0.839439 -1.29945     0.871026 0.782876 0.325333  0.530279 0.257956  
1 1 1 74 8  5  o 0.835811 0.294461  0.737833     0.613664 0.964865     0.85055  0.49134      0.886254 0.945062 0.345276  0.823827 0.33738   
1 1 1 74 8  6  o 2.401    0.140051  5.92811      0.672526 5.3974       0.914327 6.55368      0.992688 2.25748  0.20251   2.48971  0.199358  
1 1 1 74 8  7  o 2.52245  0.139139  6.54851      0.701944 6.76705      0.961773 6.29941      1.02681  2.53369  0.189797  2.42968  0.211306  
1 1 1 74 8  8  o 2.62638  0.149395  7.14007      0.784738 5.66789      1.09758  8.6796       1.12241  2.27863  0.240843  2.86044  0.196195  
1 1 1 74 8  9  o 1.19855  0.30201   1.71108      0.724147 2.40116      1.05254  1.09085      0.997847 1.36997  0.373832  0.979257 0.370857  
1 1 1 74 8  10 o 1.16885  0.314889  1.66595      0.752731 2.30143      1.0536   1.00343      1.07579  1.32697  0.378409  0.957312 0.379094  
1 1 1 74 8  11 o 0.837942 0.315136  0.747622     0.716883 1.09431      1.0386   0.432142     0.990745 0.971508 0.375507  0.81377  0.346498  
1 1 1 74 8  12 o 2.32041  0.173833  5.69642      0.806727 4.76619      1.18517  6.49953      1.10122  2.02347  0.292856  2.43302  0.226306  
1 1 1 74 8  13 o 1.91255  0.221661  4.02588      0.847876 2.22592      1.2624   5.50512      1.14442  1.24118  0.423584  2.19845  0.260278  
1 1 1 74 8  14 o 0.810088 0.331336  0.637587     0.853711 1.86229      1.37824  -0.124839    1.08745  1.11393  0.432153  0.722243 0.330875  
1 1 1 74 8  15 o 1.35664  0.332083  2.42701      0.894981 3.58762      1.48852  1.76988      1.12005  1.47879  0.457208  1.09307  0.396524  
1 1 1 74 8  16 o 0.68727  0.309689  0.0765199    0.897894 1.58494      1.59818  -0.619201    1.08538  1.01522  0.436415  0.643933 0.30699   
1 1 1 74 8  17 o 0.565747 0.270336  -0.638692    0.85413  -0.725837    1.42419  -0.589741    1.06739  0.70873  0.341149  0.637698 0.304117  
1 1 1 74 8  18 o 0.88729  0.353974  1.1739       0.944329 1.02116      1.53049  1.2678       1.19998  0.871419 0.396866  0.903374 0.382865  
1 1 1 74 8  19 o 1.1297   0.401189  2.35742      1.14117  2.31591      1.72954  2.38944      1.51867  0.997189 0.440729  1.0392   0.435079  
1 1 1 74 8  20 o 0.875134 0.368516  1.26086      1.10003  1.22826      1.52441  1.29627      1.58894  0.863626 0.394057  0.871595 0.399572  
1 1 1 74 8  21 o 0.870946 0.367688  1.43786      1.09971  2.32012      1.53866  0.51658      1.57233  0.954187 0.419193  0.749308 0.360136  
1 1 1 74 9  0  f 0.474235 0.32173   -0.249537    0.876324 -0.249537    0.876324 -0.249537    0.876324 0.390742 0.267004  ?        ?         
1 1 1 74 9  1  o 1.54343  0.214127  2.5361       0.660978 2.96355      0.893826 2.02026      0.981897 1.63767  0.272896  1.28102  0.365305  
1 1 1 74 9  2  o 3.26396  0.11904   10.8685      0.777086 11.7102      1.0337   9.77454      1.17839  3.36602  0.153549  3.04639  0.193407  
1 1 1 74 9  3  o 1.50701  0.224824  2.43747      0.677627 2.08806      0.936173 2.822        0.982094 1.30851  0.350564  1.54292  0.328098  
1 1 1 74 9  4  o 0.643456 0.275992  0.100929     0.636718 -0.705979    0.888501 0.952772     0.912905 0.603494 0.2838    0.94465  0.355551  
1 1 1 74 9  5  o 0.886783 0.293086  0.885344     0.604376 0.926214     0.806456 0.832982     0.912828 0.921044 0.336236  0.90886  0.351883  
1 1 1 74 9  6  o 3.23844  0.113337  10.6995      0.73407  11.031       1.00152  10.3146      1.07908  3.26112  0.153554  3.13922  0.17187   
1 1 1 74 9  7  o 1.5942   0.22568   2.75344      0.71956  1.24248      1.03135  4.18646      1.0044   1.02394  0.379386  1.94159  0.258655  
1 1 1 74 9  8  o 3.13502  0.131229  10.1218      0.822812 9.18695      1.13546  11.1556      1.19401  2.93685  0.193312  3.24566  0.18394   
1 1 1 74 9  9  o 1.23852  0.301288  1.84612      0.740212 2.39872      1.08473  1.36454      1.01262  1.34804  0.383811  1.0444   0.37721   
1 1 1 74 9  10 o 0.880286 0.325011  0.868796     0.755569 -0.308266    1.07811  2.00494      1.05921  0.711982 0.327544  1.22645  0.386982  
1 1 1 74 9  11 o 0.737886 0.305319  0.394061     0.734379 -0.0588773   1.05243  0.823898     1.02524  0.738456 0.33388   0.900334 0.364883  
1 1 1 74 9  12 o 1.53538  0.285203  2.80324      0.84301  1.0036       1.30258  4.10027      1.10583  0.960386 0.402551  1.86119  0.297075  
1 1 1 74 9  13 o 0.677654 0.303726  0.0146399    0.852791 -0.0252257   1.33302  0.0422599    1.10956  0.791214 0.364085  0.751324 0.34103   
1 1 1 74 9  14 o 0.630464 0.292079  -0.277689    0.876535 -2.081       1.4123   0.852151     1.1179   0.616079 0.305305  0.880814 0.37123   
1 1 1 74 9  15 o 0.91955  0.348814  1.12273      0.883946 1.76206      1.54069  0.809021     1.07924  1.04626  0.438139  0.857925 0.363322  
1 1 1 74 9  16 f 1.06791  0.361715  1.65649      0.920555 1.04669      1.58187  1.96875      1.13197  0.926931 0.414602  1.11976  0.399376  
1 1 1 74 9  17 o 0.500292 0.246424  -1.21592     0.865914 -2.03987     1.42122  -0.72948     1.09201  0.597547 0.297646  0.615661 0.296931  
1 1 1 74 9  18 o 0.786693 0.345569  0.750727     1.0454   2.56672      1.82835  -0.13132     1.27423  1.0281   0.453929  0.697676 0.332615  
1 1 1 74 9  19 o 0.5693   0.279669  -1.03966     1.09282  -0.646491    1.58005  -1.40022     1.51309  0.690844 0.338415  0.631132 0.313362  
1 1 1 74 9  20 o 0.659778 0.311616  -0.0419204   1.09367  0.619718     1.5143   -0.763356    1.58125  0.776042 0.366598  0.672367 0.331154  
1 1 1 74 9  21 o 0.657417 0.310321  0.257009     1.0818   0.068786     1.49569  0.463493     1.56656  0.675185 0.330395  0.708827 0.34511   
1 1 1 74 10 0  o 0.972541 0.446835  1.55284      0.945189 1.55284      0.945189 1.55284      0.945189 1.07153  0.35266   ?        ?         
1 1 1 74 10 1  o 3.92447  0.10782   15.6781      0.846275 14.1374      1.18667  17.2727      1.20722  3.68687  0.160932  4.08771  0.147664  
1 1 1 74 10 2  o 1.50389  0.21839   2.42977      0.656869 1.44243      0.888213 3.62161      0.975868 1.08751  0.355304  1.80272  0.270666  
1 1 1 74 10 3  o 2.27151  0.163664  5.3782       0.743528 5.3635       1.03967  5.3936       1.06376  2.22132  0.234021  2.22356  0.239201  
1 1 1 74 10 4  o 1.14382  0.282806  1.52814      0.644143 1.65891      0.840017 1.3415       1.00356  1.16179  0.340036  1.05184  0.375952  
1 1 1 74 10 5  o 2.8602   0.127494  8.40232      0.729316 8.79995      0.943237 7.8112       1.15006  2.90283  0.162468  2.69368  0.213473  
1 1 1 74 10 6  o 3.29419  0.116288  11.1068      0.76615  11.061       1.0492   11.159       1.1214   3.25272  0.161281  3.25726  0.172138  
1 1 1 74 10 7  o 1.79405  0.205972  3.46667      0.739047 2.61381      1.07563  4.22935      1.01716  1.41927  0.373746  1.93875  0.262324  
1 1 1 74 10 8  o 1.42992  0.268243  2.36541      0.738832 2.06277      1.06698  2.6442       1.02408  1.24444  0.387564  1.44082  0.356798  
1 1 1 74 10 9  o 1.94208  0.201568  4.06316      0.782922 3.54746      1.19008  4.45667      1.03956  1.66332  0.367559  1.9863   0.261682  
1 1 1 74 10 10 o 1.15572  0.317855  1.65674      0.757268 0.561342     1.11557  2.59284      1.03127  0.859326 0.366841  1.41296  0.363036  
1 1 1 74 10 11 o 2.19021  0.189362  5.16421      0.829483 3.66895      1.1632   6.71131      1.18319  1.68405  0.356306  2.44198  0.24226   
1 1 1 74 10 12 o 0.787312 0.330079  0.531106     0.876113 -0.835315    1.34903  1.52779      1.15215  0.704761 0.337474  1.04485  0.397679  
1 1 1 74 10 13 f 0.93745  0.352047  1.1527       0.894011 1.0926       1.50402  1.18554      1.11174  0.953053 0.416596  0.949779 0.382003  
1 1 1 74 10 14 o 0.967225 0.353497  1.28853      0.891603 -0.0619025   1.49712  2.03073      1.1099   0.793826 0.372237  1.15185  0.396942  
1 1 1 74 10 15 o 0.93706  0.352687  1.20685      0.89825  2.74789      1.53976  0.411842     1.10594  1.22437  0.461563  0.784245 0.348831  
1 1 1 74 10 16 o 1.49786  0.32526   3.0602       0.947078 2.50865      1.51023  3.4177       1.21587  1.13404  0.449137  1.47053  0.402022  
1 1 1 74 10 17 o 0.770905 0.331265  0.707668     0.92023  2.2183       1.44934  -0.312656    1.19113  1.0373   0.429048  0.667333 0.318965  
1 1 1 74 10 18 o 1.71002  0.375681  4.63016      1.24994  5.75097      1.88166  3.74499      1.67219  1.52796  0.517144  1.22271  0.47567   
1 1 1 74 10 19 o 1.40507  0.388959  3.33947      1.12946  2.57391      1.6154   4.07167      1.5798   1.02957  0.440538  1.33105  0.472101  
1 1 1 74 10 20 o 0.753846 0.340859  0.949512     1.09706  1.52084      1.5234   0.33402      1.58117  0.806877 0.377842  0.702793 0.342983  
1 1 1 74 11 0  o 0.446567 0.309174  -0.426603    0.884081 -0.426603    0.884081 -0.426603    0.884081 0.362218 0.252268  ?        ?         
1 1 1 74 11 1  o 1.17319  0.282024  1.61434      0.654545 2.35683      0.927883 0.878892     0.923466 1.3825   0.337958  0.912129 0.353766  
1 1 1 74 11 2  o 0.584869 0.265741  -0.224543    0.677446 0.420903     0.995898 -0.78042     0.924218 0.818711 0.347963  0.601535 0.285215  
1 1 1 74 11 3  o 1.01183  0.297847  1.21972      0.642718 2.28515      0.886543 0.0393897    0.933127 1.36504  0.328269  0.727025 0.322217  
1 1 1 74 11 4  o 0.526202 0.245064  -0.413       0.62753  -0.684296    0.874846 -0.125469    0.90064  0.592704 0.279565  0.685736 0.309516  
1 1 1 74 11 5  o 0.636749 0.285039  -0.092496    0.749029 -0.0375714   1.0992   -0.14011     1.02343  0.759136 0.34233   0.721542 0.327516  
1 1 1 74 11 6  o 1.1854   0.314335  1.72219      0.757525 1.33167      1.04241  2.15923      1.10274  1.03383  0.38174   1.26765  0.393849  
1 1 1 74 11 7  o 0.905553 0.328373  0.946852     0.768059 0.101357     1.08315  1.80193      1.08927  0.774522 0.344842  1.16099  0.393468  
1 1 1 74 11 8  o 0.873873 0.330694  0.8424       0.792916 1.2915       1.08867  0.335006     1.15717  1.01867  0.386903  0.828831 0.363829  
1 1 1 74 11 9  o 0.836968 0.327549  0.729419     0.795354 0.662852     1.1019   0.801824     1.14919  0.872056 0.368101  0.906963 0.379011  
1 1 1 74 11 10 o 1.69761  0.236746  3.24118      0.803805 3.44521      1.23679  3.09199      1.05763  1.57946  0.392703  1.54085  0.350932  
1 1 1 74 11 11 o 1.0898   0.359559  1.62659      0.909613 0.529654     1.35847  2.51811      1.22468  0.865556 0.385758  1.29197  0.416978  
1 1 1 74 11 12 o 1.08817  0.34996   1.63423      0.863206 0.371781     1.35243  2.50206      1.12131  0.830684 0.376879  1.29875  0.395876  
1 1 1 74 11 13 o 0.869118 0.344848  0.935196     0.89182  2.77149      1.53497  -0.000534928 1.09573  1.24401  0.462454  0.724708 0.332057  
1 1 1 74 11 14 o 0.715711 0.317338  0.2445       0.906389 0.0822024    1.60671  0.320259     1.09774  0.817959 0.383925  0.767931 0.344382  
1 1 1 74 11 15 o 1.26989  0.400849  2.62262      1.1364   1.73897      1.74421  3.27436      1.49796  0.989857 0.439386  1.30892  0.460167  
1 1 1 74 11 16 o 0.702731 0.324479  0.169466     1.07023  0.715287     1.46927  -0.44747     1.56206  0.818436 0.378776  0.717495 0.3479    
1 1 1 74 11 17 o 0.922678 0.379599  1.52923      1.12708  -0.0964891   1.61176  3.08492      1.57667  0.733348 0.355039  1.13434  0.455464  
1 1 1 74 11 18 o 0.941401 0.386483  1.62374      1.16587  3.5697       1.62114  -0.460911    1.67791  1.21917  0.469574  0.717053 0.350663  
1 1 1 74 11 19 o 0.565983 0.278588  -0.840326    1.09342  -1.46074     1.58184  -0.272665    1.5131   0.610164 0.305082  0.673007 0.330123  
1 1 1 74 12 0  o 0.644383 0.39404   0.586788     0.945643 0.586788     0.945643 0.586788     0.945643 0.61075  0.350334  ?        ?         
1 1 1 74 12 1  o 3.17112  0.130232  10.3709      0.82596  9.54478      1.107    11.4083      1.24054  2.99675  0.1847    3.27104  0.189625  
1 1 1 74 12 2  o 1.66801  0.212951  3.01626      0.710409 4.28741      1.07776  2.03966      0.944678 1.93668  0.27825   1.2601   0.357987  
1 1 1 74 12 3  o 2.66384  0.135625  7.33988      0.722565 7.70562      1.01972  6.97106      1.02401  2.68748  0.189718  2.54635  0.201075  
1 1 1 74 12 4  o 0.91511  0.329216  0.975013     0.770665 1.41242      1.30109  0.738613     0.956513 1.05997  0.417803  0.873169 0.35303   
1 1 1 74 12 5  f 2.59039  0.155981  7.02196      0.808103 6.74429      1.22938  7.23322      1.07231  2.45469  0.250415  2.5858   0.207347  
1 1 1 74 12 6  o 1.03452  0.328656  1.33142      0.763018 1.62761      1.17497  1.11542      1.00337  1.10394  0.405573  0.968492 0.370385  
1 1 1 74 12 7  o 0.918371 0.337443  0.995178     0.8134   -0.0211208   1.19763  1.86539      1.10821  0.778054 0.353466  1.16609  0.396874  
1 1 1 74 12 8  o 0.524454 0.254604  -1.08686     0.841035 -0.330659    1.21547  -1.78152     1.16495  0.734323 0.341632  0.577822 0.284594  
1 1 1 74 12 9  o 1.24256  0.371305  2.12998      0.993004 2.15771      1.60316  2.11273      1.26486  1.15887  0.461556  1.18387  0.422175  
1 1 1 74 12 10 o 0.832888 0.339757  0.7398       0.895271 0.190994     1.24606  1.3254       1.28715  0.793781 0.360593  0.989264 0.406103  
1 1 1 74 12 11 o 1.07345  0.368795  1.65137      0.957444 1.22569      1.33531  2.10178      1.37356  0.959205 0.405068  1.1332   0.433362  
1 1 1 74 12 12 o 0.766984 0.335027  0.428259     0.971295 -0.295211    1.48573  0.968247     1.28358  0.767288 0.362773  0.903976 0.389889  
1 1 1 74 12 13 o 1.70387  0.317385  3.77171      1.04124  4.45311      1.58416  3.25341      1.38161  1.61724  0.464917  1.39188  0.442255  
1 1 1 74 12 14 o 0.646741 0.305415  -0.370178    1.05007  0.27972      1.57641  -0.888546    1.40788  0.810595 0.380436  0.677673 0.32912   
1 1 1 74 12 15 o 0.975461 0.38001   1.62637      1.06801  0.644738     1.47623  2.70447      1.54706  0.811519 0.377142  1.11271  0.449346  
1 1 1 74 12 16 o 0.660421 0.311784  -0.108701    1.0928   0.582735     1.46911  -0.965186    1.63508  0.784028 0.36784   0.677909 0.334135  
1 1 1 74 12 17 o 0.8886   0.358221  1.28034      0.980808 2.08188      1.6626   0.852503     1.21469  0.968986 0.429695  0.806985 0.36207   
1 1 1 74 12 18 o 0.873782 0.368008  1.43784      1.09731  2.12805      1.48584  0.609784     1.62746  0.938203 0.412054  0.762425 0.36643   
1 1 1 74 13 0  o 3.15387  0.210246  10.4933      1.31265  10.4933      1.31265  10.4933      1.31265  3.19731  0.145842  ?        ?         
1 1 1 74 13 1  o 3.89076  0.122485  15.5755      0.953116 13.5754      1.37551  17.4228      1.32191  3.55887  0.19325   4.07216  0.16231   
1 1 1 74 13 2  o 2.05316  0.19739   4.53315      0.810546 4.16839      1.30958  4.75965      1.03196  1.79323  0.377068  2.06031  0.250439  
1 1 1 74 13 3  o 2.41687  0.16661   6.15699      0.80535  5.44585      1.25038  6.66114      1.05281  2.16417  0.288884  2.47402  0.212772  
1 1 1 74 13 4  o 0.543253 0.25993   -0.794573    0.796288 -0.779237    1.3397   -0.80295     0.990181 0.723676 0.343252  0.615574 0.29341   
1 1 1 74 13 5  o 1.65304  0.247905  3.08011      0.819596 2.08254      1.37771  3.62654      1.01965  1.18937  0.438925  1.75715  0.290144  
1 1 1 74 13 6  o 1.14751  0.326193  1.68501      0.784101 1.89539      1.21204  1.5336       1.02826  1.14768  0.412866  1.06506  0.380563  
1 1 1 74 13 7  o 1.30229  0.319427  2.15837      0.826782 0.512673     1.27215  3.36179      1.08785  0.856836 0.378433  1.60563  0.348539  
1 1 1 74 13 8  o 1.13554  0.344208  1.73457      0.849282 0.858098     1.32131  2.35158      1.10862  0.910171 0.394106  1.27103  0.394897  
1 1 1 74 13 9  o 0.685193 0.305543  0.101151     0.853294 1.44422      1.39283  -0.70579     1.07962  1.00648  0.418712  0.637987 0.304634  
1 1 1 74 13 10 o 1.95859  0.230813  4.3902       0.904138 2.58357      1.46358  5.50516      1.14977  1.22028  0.451982  2.14838  0.26759   
1 1 1 74 13 11 o 2.21314  0.218642  5.54636      0.967769 5.20596      1.44196  5.82538      1.30546  1.90807  0.391321  2.15716  0.302588  
1 1 1 74 13 12 o 0.6504   0.299192  -0.125297    0.899377 0.0219469    1.4557   -0.216202    1.14379  0.786975 0.36867   0.700306 0.327841  
1 1 1 74 13 13 o 0.714272 0.319169  0.302544     0.935408 0.169046     1.59832  0.372089     1.1536   0.797742 0.376746  0.763674 0.346927  
1 1 1 74 13 14 o 0.686517 0.31172   0.232818     0.928772 1.10467      1.46518  -0.352841    1.20086  0.865558 0.39251   0.666509 0.318976  
1 1 1 74 13 15 o 0.722991 0.322462  0.492593     0.95084  0.870936     1.50228  0.239732     1.22814  0.818074 0.380291  0.722751 0.338592  
1 1 1 74 13 16 o 1.02852  0.37857   1.86104      1.02413  4.30319      1.72816  0.539133     1.27145  1.33028  0.491457  0.767318 0.354061  
1 1 1 74 13 17 o 0.65988  0.309955  0.0656781    1.05383  0.555987     1.46625  -0.458229    1.51566  0.757298 0.359152  0.677569 0.331803  
1 1 1 74 13 18 o 1.64228  0.358731  4.53813      1.14576  3.97934      1.55527  5.20133      1.69435  1.15741  0.456609  1.31838  0.486713  
1 1 1 74 14 0  f 1.01076  0.498249  1.89026      1.1942   1.89026      1.1942   1.89026      1.1942   1.13276  0.40807   ?        ?         
1 1 1 74 14 1  o 1.94096  0.201707  4.09565      0.78301  2.84497      1.25988  4.88275      0.999478 1.40452  0.417937  2.085    0.239683  
1 1 1 74 14 2  o 1.01266  0.329753  1.30467      0.765057 0.920124     1.20606  1.56361      0.989661 0.927466 0.387972  1.07689  0.374466  
1 1 1 74 14 3  o 2.22184  0.19622   5.36033      0.871939 3.95483      1.27562  6.59293      1.19458  1.71174  0.382353  2.4078   0.248065  
1 1 1 74 14 4  o 1.37546  0.321814  2.40217      0.870459 1.55128      1.5164   2.82033      1.06305  1.05315  0.437431  1.44639  0.366793  
1 1 1 74 14 5  o 2.89079  0.164096  8.88912      0.94873  7.88725      1.54625  9.49402      1.20147  2.54466  0.303823  2.93965  0.204356  
1 1 1 74 14 6  o 0.797557 0.32449   0.641351     0.814461 1.45496      1.34135  0.1662       1.02506  1.01712  0.415553  0.744592 0.333379  
1 1 1 74 14 7  o 1.01925  0.340621  1.40228      0.816321 2.17807      1.33838  0.942709     1.03012  1.16441  0.432033  0.890649 0.364071  
1 1 1 74 14 8  o 1.88916  0.23296   4.08979      0.880198 3.84679      1.35143  4.26882      1.15997  1.5922   0.418768  1.80695  0.333503  
1 1 1 74 14 9  o 1.20413  0.338906  1.98517      0.850515 1.75275      1.3061   2.15629      1.12069  1.05539  0.417778  1.18368  0.399103  
1 1 1 74 14 10 o 0.738772 0.325043  0.337385     0.927949 0.166487     1.54699  0.433435     1.15976  0.82043  0.383129  0.797646 0.355935  
1 1 1 74 14 11 o 0.707015 0.317406  0.181517     0.934716 -1.16738     1.45391  1.13181      1.22033  0.675837 0.329659  0.916401 0.387126  
1 1 1 74 14 12 o 0.944069 0.354271  1.36045      0.905015 1.35001      1.47783  1.36671      1.14479  0.919663 0.406812  0.929577 0.382527  
1 1 1 74 14 13 o 0.965215 0.365871  1.53697      0.971929 1.19039      1.5514   1.76088      1.24697  0.87508  0.398811  0.978666 0.400391  
1 1 1 74 14 14 o 0.483119 0.240158  -1.44133     0.902096 -0.732135    1.44337  -1.89593     1.1556   0.663903 0.324802  0.524617 0.262307  
1 1 1 74 14 15 o 1.48641  0.338675  3.25345      0.984701 1.28856      1.49755  4.75006      1.30698  0.871823 0.39585   1.7185   0.389235  
1 1 1 74 14 16 o 0.79002  0.341817  0.927044     0.992506 1.7508       1.69079  0.493971     1.22595  0.887146 0.40895   0.736114 0.342711  
1 1 1 74 14 17 f 0.567847 0.277124  -0.534283    1.03217  -1.15138     1.41585  0.165661     1.5079   0.587871 0.293421  0.6826   0.33349   
1 1 1 74 15 0  o 0.867814 0.484592  1.4992       1.23853  1.4992       1.23853  1.4992       1.23853  0.930918 0.429984  ?        ?         
1 1 1 74 15 1  o 1.36892  0.333601  2.44993      0.906266 4.10887      1.3877   1.21619      1.19671  1.68099  0.414769  0.967792 0.393474  
1 1 1 74 15 2  o 1.03435  0.354978  1.45513      0.886844 1.55579      1.28035  1.3623       1.22957  1.03866  0.412855  0.997626 0.401534  
1 1 1 74 15 3  o 1.34389  0.302117  2.27185      0.792234 3.33816      1.29808  1.63891      1.00009  1.49175  0.418309  1.07445  0.376164  
1 1 1 74 15 4  o 1.05018  0.341451  1.49282      0.820302 1.73305      1.26137  1.31677      1.07983  1.07004  0.413775  0.979924 0.382033  
1 1 1 74 15 5  o 0.720498 0.312165  0.321172     0.829933 0.437384     1.3499   0.250551     1.05231  0.837376 0.378394  0.757665 0.338544  
1 1 1 74 15 6  o 1.00646  0.340177  1.38624      0.814193 1.4743       1.30793  1.33053      1.04035  1.00135  0.409931  0.97399  0.375956  
1 1 1 74 15 7  o 0.755324 0.319808  0.495747     0.835935 -0.695956    1.29561  1.34565      1.09415  0.689582 0.330331  0.974138 0.383401  
1 1 1 74 15 8  o 1.58605  0.302391  3.19643      0.924771 5.63669      1.42877  1.43706      1.21317  2.02282  0.366651  0.988406 0.398423  
1 1 1 74 15 9  o 1.03853  0.360515  1.56748      0.916964 1.32978      1.40012  1.74601      1.21339  0.959915 0.410414  1.04901  0.405791  
1 1 1 74 15 10 o 1.83153  0.298518  4.2997       1.09349  5.18113      1.69006  3.66502      1.43412  1.69381  0.478065  1.43994  0.449499  
1 1 1 74 15 11 o 2.52466  0.209695  7.38373      1.05882  5.82083      1.63169  8.52052      1.3916   1.82282  0.449751  2.6078   0.266814  
1 1 1 74 15 12 o 0.68798  0.313166  0.237968     0.950383 -0.406795    1.55298  0.624017     1.20168  0.713856 0.34637   0.779291 0.354038  
1 1 1 74 15 13 o 0.619943 0.291222  -0.144576    0.930699 -1.32324     1.43503  0.711129     1.22273  0.619986 0.307365  0.779373 0.354887  
1 1 1 74 15 14 f 0.706029 0.318347  0.376738     0.950318 0.23735      1.45774  0.479759     1.25323  0.752676 0.357502  0.758945 0.350699  
1 1 1 74 15 15 o 0.736462 0.326534  0.650166     0.959629 3.25167      1.61793  -0.761713    1.19192  1.10922  0.455318  0.603848 0.29536   
1 1 1 74 15 16 o 0.680654 0.312015  0.513123     0.968677 -0.330016    1.54507  1.05916      1.24339  0.652593 0.32241   0.760053 0.350489  
1 1 1 74 16 0  o 1.21882  0.523303  2.6834       1.29772  2.6834       1.29772  2.6834       1.29772  1.42444  0.373615  ?        ?         
1 1 1 74 16 1  o 1.08036  0.357254  1.65066      0.897988 1.93465      1.34674  1.42333      1.20495  1.09514  0.426707  0.993259 0.398439  
1 1 1 74 16 2  o 0.52715  0.256633  -1.05397     0.865561 -2.20103     1.26556  -0.0458386   1.18645  0.565514 0.281576  0.739495 0.341527  
1 1 1 74 16 3  o 1.45711  0.310675  2.73157      0.878583 2.41659      1.31672  2.98436      1.17957  1.21027  0.430827  1.41173  0.399694  
1 1 1 74 16 4  o 2.43161  0.195545  6.53263      0.950979 5.20002      1.3552   7.82543      1.33481  1.95617  0.359863  2.57149  0.25954   
1 1 1 74 16 5  o 0.654938 0.29742   -0.0237444   0.846135 2.15339      1.42415  -1.21156     1.05193  1.12581  0.438769  0.573891 0.280018  
1 1 1 74 16 6  o 1.91831  0.225571  4.20693      0.865428 5.34035      1.32956  3.37368      1.13999  2.02588  0.328144  1.53912  0.373579  
1 1 1 74 16 7  o 0.582164 0.275424  -0.515567    0.857634 0.684225     1.29322  -1.45753     1.14586  0.849806 0.377638  0.578638 0.284938  
1 1 1 74 16 8  o 1.27109  0.334414  2.24657      0.861651 2.70426      1.2891   1.87694      1.15846  1.2532   0.428041  1.07244  0.401139  
1 1 1 74 16 9  o 1.0405   0.364306  1.71926      0.938049 1.50738      1.44464  1.87373      1.23346  0.941521 0.409944  1.02748  0.406227  
1 1 1 74 16 10 o 2.17796  0.227406  5.65188      0.990562 6.92028      1.54736  4.77114      1.28939  2.17353  0.355955  1.7676   0.375988  
1 1 1 74 16 11 o 0.946757 0.374651  1.55323      1.05004  1.37836      1.74816  1.65193      1.31335  0.883556 0.41054   0.937428 0.39904   
1 1 1 74 16 12 o 1.41076  0.354479  3.07843      0.999744 1.92898      1.62001  3.78545      1.27054  0.941737 0.420441  1.4526   0.415962  
1 1 1 74 16 13 o 2.23008  0.234881  6.06846      1.04761  5.06416      1.60109  6.8203       1.38531  1.57729  0.471511  2.21561  0.312625  
1 1 1 74 16 14 o 0.509335 0.252737  -1.2832      0.976787 -0.151832    1.50726  -2.10238     1.28256  0.696159 0.338863  0.532178 0.267788  
1 1 1 74 16 15 o 0.700654 0.316975  0.650696     0.949943 -0.0314602   1.58122  1.03594      1.18828  0.674789 0.332364  0.758192 0.34673   
1 1 1 74 17 0  f 0.573487 0.384217  0.133312     1.18582  0.133312     1.18582  0.133312     1.18582  0.507736 0.334895  ?        ?         
1 1 1 74 17 1  o 1.18658  0.349301  1.976        0.883942 1.92365      1.25594  2.0274       1.24431  1.09306  0.415445  1.11985  0.416358  
1 1 1 74 17 2  o 1.41056  0.340864  2.70968      0.952305 0.812394     1.41536  4.27906      1.28726  0.885145 0.394141  1.73154  0.381964  
1 1 1 74 17 3  o 1.14418  0.36174   1.89709      0.925199 2.73155      1.36502  1.18798      1.25834  1.26257  0.439711  0.934791 0.393913  
1 1 1 74 17 4  o 0.619864 0.295498  -0.584965    1.00526  -1.97815     1.34172  1.1979       1.51781  0.594734 0.295262  0.942642 0.415219  
1 1 1 74 17 5  o 1.51703  0.358333  3.24317      1.0712   0.988769     1.50394  5.56453      1.52611  0.906079 0.404795  1.92571  0.408629  
1 1 1 74 17 6  o 0.725054 0.320487  0.357765     0.91488  -0.00889759  1.32999  0.687098     1.26047  0.747968 0.350754  0.829039 0.370475  
1 1 1 74 17 7  o 1.41923  0.328688  2.83174      0.915366 2.22682      1.3526   3.34289      1.24334  1.08065  0.42598   1.40613  0.414377  
1 1 1 74 17 8  o 0.711958 0.313713  0.428499     0.867319 0.190704     1.30882  0.614684     1.15811  0.743906 0.348688  0.781776 0.352025  
1 1 1 74 17 9  o 0.624623 0.293876  -0.206599    0.95493  -2.21947     1.48703  1.20602      1.24573  0.586755 0.293595  0.869727 0.379665  
1 1 1 74 17 10 o 1.81232  0.283392  4.34831      1.0272   5.14565      1.8373   3.98577      1.23891  1.43244  0.509018  1.53433  0.399761  
1 1 1 74 17 11 o 0.689201 0.321331  0.132998     1.08269  0.0749733    1.80771  0.165456     1.35201  0.768042 0.372986  0.730963 0.345818  
1 1 1 74 17 12 o 1.88786  0.287095  4.76991      1.08399  3.69416      1.81083  5.37068      1.35324  1.15879  0.479456  1.83424  0.381527  
1 1 1 74 17 13 o 0.816169 0.349108  1.14693      1.01385  1.35251      1.64202  1.02026      1.28888  0.821495 0.386169  0.788303 0.360753  
1 1 1 74 17 14 o 1.56697  0.348931  4.05208      1.06508  4.02         1.87491  4.06737      1.29417  1.02966  0.456491  1.35816  0.427611  
1 1 1 74 18 0  o 1.05275  0.514784  2.2708       1.27072  2.2708       1.27072  2.2708       1.27072  1.2357   0.409999  ?        ?         
1 1 1 74 18 1  o 0.741401 0.325729  0.424292     0.929128 -0.583643    1.30945  1.4463       1.31857  0.686937 0.329793  0.959689 0.403761  
1 1 1 74 18 2  o 1.62685  0.334177  3.6345       1.04998  5.16264      1.42769  1.83429      1.54958  1.84424  0.398379  1.01001  0.431797  
1 1 1 74 18 3  o 2.26909  0.240762  6.14771      1.09262  6.46456      1.38845  5.63233      1.77078  2.20718  0.314529  1.72297  0.490331  
1 1 1 74 18 4  o 1.31298  0.37879   2.73268      1.04976  2.84458      1.31539  2.5364       1.74208  1.2339   0.431461  1.06967  0.457585  
1 1 1 74 18 5  f 0.605832 0.290895  -0.559116    1.01964  0.480908     1.41227  -1.69151     1.47366  0.792265 0.368459  0.620694 0.308326  
1 1 1 74 18 6  o 0.956518 0.36895   1.51834      1.00156  2.70082      1.42749  0.371798     1.40562  1.13899  0.440233  0.772497 0.361957  
1 1 1 74 18 7  o 1.5786   0.31993   3.49752      0.974848 5.20221      1.39361  1.86412      1.36415  1.79212  0.399182  0.974532 0.410376  
1 1 1 74 18 8  o 2.13322  0.248156  5.67333      1.05874  3.72505      1.53335  7.44856      1.46366  1.2895   0.464328  2.30405  0.317629  
1 1 1 74 18 9  o 1.54924  0.344521  3.58218      1.03953  4.20522      1.58271  3.10948      1.37858  1.37276  0.473918  1.21482  0.43999   
1 1 1 74 18 10 o 0.890271 0.369995  1.33104      1.08589  -0.056725    2.10344  1.83527      1.26791  0.782847 0.385622  0.973061 0.401816  
1 1 1 74 18 11 o 1.07619  0.380232  2.11822      1.02389  1.94856      1.70226  2.21439      1.28165  0.917141 0.417919  1.02012  0.410214  
1 1 1 74 18 12 o 0.782698 0.341924  1.05308      1.01191  1.23351      1.70714  0.955349     1.25642  0.788182 0.377953  0.761421 0.351577  
1 1 1 74 19 0  o 0.540242 0.381327  -0.459221    1.52828  -0.459221    1.52828  -0.459221    1.52828  0.463483 0.325301  ?        ?         
1 1 1 74 19 1  o 1.00609  0.390751  1.80175      1.12746  1.32487      1.46072  2.50457      1.77331  0.894763 0.399359  1.03742  0.452925  
1 1 1 74 19 2  o 1.49034  0.365318  3.4069       1.08194  3.49747      1.37818  3.26145      1.74665  1.34712  0.442583  1.15582  0.473536  
1 1 1 74 19 3  o 0.568836 0.27628   -0.808342    0.992386 0.18667      1.29585  -2.21951     1.54323  0.735155 0.345011  0.599215 0.299608  
1 1 1 74 19 4  o 1.64266  0.318499  3.77339      1.00903  4.45021      1.32396  2.83551      1.55852  1.63058  0.40685   1.11356  0.450463  
1 1 1 74 19 5  o 0.883355 0.362058  1.27779      1.02149  1.40266      1.41862  1.14335      1.47206  0.887818 0.394984  0.852798 0.388608  
1 1 1 74 19 6  o 0.533609 0.262796  -1.17594     1.00418  -2.57508     1.37335  0.431484     1.47203  0.538778 0.271733  0.765135 0.361445  
1 1 1 74 19 7  o 0.602847 0.288417  -0.401177    0.979807 0.974928     1.32265  -2.07477     1.45862  0.824043 0.373345  0.583605 0.291803  
1 1 1 74 19 8  o 0.775598 0.340293  0.737128     1.01126  0.201564     1.47012  1.21814      1.39325  0.74998  0.357484  0.863359 0.387557  
1 1 1 74 19 9  o 0.902856 0.369259  1.4425       1.06026  1.29564      1.63663  1.5487       1.3918   0.853963 0.396958  0.893814 0.39516   
1 1 1 74 19 10 o 0.631137 0.300972  -0.106049    1.04509  -0.541236    1.59614  0.220528     1.38269  0.671576 0.330802  0.707532 0.339489  
1 1 1 74 19 11 o 1.75578  0.350187  5.04997      1.18614  6.75458      1.75402  3.61356      1.61012  1.61967  0.49541   1.06521  0.447071  
1 1 1 74 20 0  o 0.540938 0.385262  -0.558645    1.65967  -0.558645    1.65967  -0.558645    1.65967  0.466104 0.330169  ?        ?         
1 1 1 74 20 1  o 0.969305 0.388494  1.76722      1.14414  1.27606      1.64464  2.22787      1.59272  0.860185 0.39911   0.983841 0.42939   
1 1 1 74 20 2  o 1.03126  0.396546  2.04773      1.15511  1.32259      1.74321  2.61537      1.54231  0.86435  0.404653  1.05528  0.43991   
1 1 1 74 20 3  o 0.62955  0.303304  -0.459003    1.13191  -1.93616     1.62848  0.921721     1.57443  0.620539 0.310269  0.82312  0.38521   
1 1 1 74 20 4  o 0.947571 0.369786  1.55713      1.01223  0.974968     1.32377  2.37672      1.5707   0.824736 0.373589  1.01722  0.434798  
1 1 1 74 20 5  o 0.813195 0.349101  0.939723     1.02028  0.668967     1.3373   1.31683      1.57824  0.788673 0.363609  0.874933 0.399898  
1 1 1 74 20 6  o 2.00663  0.279725  5.29502      1.1226   4.87259      1.51414  5.81068      1.67291  1.58465  0.454194  1.70648  0.473698  
1 1 1 74 20 7  o 1.61534  0.364511  4.10826      1.1497   3.23438      1.57395  5.10793      1.68342  1.14091  0.456329  1.4891   0.489145  
1 1 1 74 20 8  o 0.973492 0.384927  1.9191       1.10762  1.11944      1.56466  2.72236      1.56818  0.804879 0.377981  1.00933  0.433035  
1 1 1 74 20 9  o 0.928624 0.385609  2.01151      1.17793  0.441567     1.63744  3.69533      1.69578  0.710696 0.347287  1.04734  0.449859  
1 1 1 74 21 0  o 2.47347  0.383961  8.10611      1.76272  8.10611      1.76272  8.10611      1.76272  2.67576  0.237199  ?        ?         
1 1 1 74 21 1  o 0.915555 0.377111  1.48589      1.11364  0.496412     1.58161  2.45882      1.56833  0.781768 0.371823  1.0267   0.436521  
1 1 1 74 21 2  o 1.31776  0.411362  3.19017      1.20109  1.78298      1.84148  4.23205      1.58453  0.908024 0.421695  1.3688   0.474031  
1 1 1 74 21 3  o 0.843657 0.369671  1.16701      1.19021  0.888401     1.77068  1.39665      1.60754  0.818569 0.390687  0.867494 0.399454  
1 1 1 74 21 4  o 0.644839 0.307742  -0.18091     1.09802  -0.865484    1.5251   0.555819     1.58213  0.657725 0.323923  0.773813 0.36932   
1 1 1 74 21 5  o 1.71754  0.346424  4.53402      1.14827  3.33498      1.60885  5.77904      1.63939  1.11433  0.45516   1.64195  0.473258  
1 1 1 74 21 6  o 1.09637  0.392235  2.46357      1.0926   1.42377      1.61615  3.33884      1.48279  0.816363 0.38357   1.11745  0.444258  
1 1 1 74 21 7  o 0.729996 0.338188  0.79465      1.1751   -0.527195    1.73838  1.90689      1.5946   0.658507 0.328176  0.838209 0.39048   
1 1 1 74 22 0  o 0.917368 0.53745   2.62068      1.62346  2.62068      1.62346  2.62068      1.62346  1.12229  0.492857  ?        ?         
1 1 1 74 22 1  o 0.76897  0.34948   0.953521     1.17337  1.10539      1.79162  0.839458     1.55269  0.783589 0.378487  0.759567 0.363318  
1 1 1 74 22 2  o 1.45027  0.392554  3.88334      1.16641  2.90321      1.62985  4.91235      1.66999  0.978167 0.430572  1.31609  0.483517  
1 1 1 74 22 3  o 1.13797  0.404984  2.87403      1.16342  3.2245       1.65851  2.53449      1.63246  0.993957 0.435947  0.908583 0.412741  
1 1 1 74 22 4  o 0.744633 0.338204  0.908909     1.09501  2.2254       1.52403  -0.495919    1.57433  0.884344 0.400708  0.644975 0.320154  
1 1 1 75 0  0  o 2.34832  0.306951  6.00259      1.38654  6.00259      1.38654  6.00259      1.38654  2.40192  0.207664  ?        ?         
1 1 1 75 0  1  o 1.09707  0.43753   1.76015      0.924951 1.76015      0.924951 1.76015      0.924951 1.20313  0.315268  ?        ?         
1 1 1 75 0  2  o 1.0885   0.430842  1.72391      0.899466 1.72391      0.899466 1.72391      0.899466 1.193    0.309043  ?        ?         
1 1 1 75 0  3  o 5.78904  0.115944  33.751       1.3412   33.751       1.3412   33.751       1.3412   5.79932  0.0818023 ?        ?         
1 1 1 75 0  4  f 1.34623  0.360151  2.23519      0.836079 2.23519      0.836079 2.23519      0.836079 1.43294  0.222265  ?        ?         
1 1 1 75 0  5  o 2.56463  0.188231  6.78434      0.95353  6.78434      0.95353  6.78434      0.95353  2.58496  0.131188  ?        ?         
1 1 1 75 0  6  o 1.42271  0.36486   2.47624      0.895878 2.47624      0.895878 2.47624      0.895878 1.51126  0.224373  ?        ?         
1 1 1 75 0  7  o 0.40062  0.281583  -0.686944    0.815463 -0.686944    0.815463 -0.686944    0.815463 0.313139 0.223915  ?        ?         
1 1 1 75 0  8  o 2.37745  0.194451  5.87378      0.910362 5.87378      0.910362 5.87378      0.910362 2.40104  0.135027  ?        ?         
1 1 1 75 0  9  o 1.26819  0.411564  2.16168      0.920015 2.16168      0.920015 2.16168      0.920015 1.38067  0.263862  ?        ?         
1 1 1 75 0  10 o 1.94845  0.24115   4.08889      0.90728  4.08889      0.90728  4.08889      0.90728  1.98706  0.164001  ?        ?         
1 1 1 75 0  11 o 1.78205  0.270824  3.51094      0.89827  3.51094      0.89827  3.51094      0.89827  1.83196  0.177164  ?        ?         
1 1 1 75 0  12 f 2.15854  0.220949  4.94078      0.930954 4.94078      0.930954 4.94078      0.930954 2.19167  0.151853  ?        ?         
1 1 1 75 0  13 o 0.398626 0.28276   -0.823904    0.868713 -0.823904    0.868713 -0.823904    0.868713 0.310712 0.223978  ?        ?         
1 1 1 75 0  14 o 0.883279 0.440109  1.31376      0.935685 1.31376      0.935685 1.31376      0.935685 0.950007 0.367986  ?        ?         
1 1 1 75 0  15 o 0.995321 0.473501  1.68609      1.06725  1.68609      1.06725  1.68609      1.06725  1.0968   0.381549  ?        ?         
1 1 1 75 0  16 f 0.686898 0.42445   0.665444     1.12007  0.665444     1.12007  0.665444     1.12007  0.649555 0.377673  ?        ?         
1 1 1 75 0  17 o 1.84594  0.368286  4.1318       1.20613  4.1318       1.20613  4.1318       1.20613  1.95219  0.225254  ?        ?         
1 1 1 75 0  18 o 1.20081  0.506816  2.42227      1.22153  2.42227      1.22153  2.42227      1.22153  1.36935  0.365815  ?        ?         
1 1 1 75 0  19 o 0.931409 0.502288  1.73556      1.28268  1.73556      1.28268  1.73556      1.28268  1.02351  0.437263  ?        ?         
1 1 1 75 0  20 o 0.824506 0.500494  1.42817      1.50103  1.42817      1.50103  1.42817      1.50103  0.853621 0.457902  ?        ?         
1 1 1 75 0  21 o 0.76876  0.485512  1.16326      1.55245  1.16326      1.55245  1.16326      1.55245  0.76689  0.445196  ?        ?         
1 1 1 75 0  22 o 0.67898  0.448479  0.804117     1.5108   0.804117     1.5108   0.804117     1.5108   0.656365 0.409806  ?        ?         
1 1 1 75 0  23 o 1.26523  0.560994  3.41972      1.48731  3.41972      1.48731  3.41972      1.48731  1.5677   0.387919  ?        ?         
1 1 1 75 0  24 o 0.829415 0.502223  1.85449      1.50302  1.85449      1.50302  1.85449      1.50302  0.927577 0.467892  ?        ?         
1 1 1 75 0  25 f 0.464332 0.33709   -1.14644     1.55353  -1.14644     1.55353  -1.14644     1.55353  0.389203 0.282742  ?        ?         
1 1 1 75 1  0  o 2.52599  0.189646  6.58686      0.945673 6.58686      0.945673 6.58686      0.945673 2.54656  0.132105  ?        ?         
1 1 1 75 1  1  o 1.5641   0.203645  2.53663      0.637043 2.09301      0.877271 3.03152      0.926579 1.35882  0.326407  1.68524  0.27491   
1 1 1 75 1  2  f 1.7502   0.182687  3.15527      0.639478 2.90564      0.90178  3.40779      0.906958 1.64988  0.273287  1.79503  0.252631  
1 1 1 75 1  3  o 4.2883   0.0903944 18.5278      0.775276 18.5559      1.12422  18.5024      1.07056  4.27374  0.131527  4.27065  0.125339  
1 1 1 75 1  4  o 2.79069  0.118624  7.89205      0.662087 7.36304      0.956089 8.37949      0.917753 2.67327  0.178824  2.86004  0.160444  
1 1 1 75 1  5  o 1.62718  0.194704  2.74708      0.633636 4.13038      0.943096 1.60884      0.855489 1.97772  0.23843   1.18334  0.342131  
1 1 1 75 1  6  o 3.98586  0.0954325 16.0368      0.760762 14.2158      1.07476  17.8654      1.077    3.73076  0.144041  4.19129  0.128481  
1 1 1 75 1  7  o 1.10453  0.270269  1.36439      0.592978 1.80676      0.887796 1.00808      0.796766 1.24402  0.345002  0.968376 0.336067  
1 1 1 75 1  8  o 2.62459  0.126095  7.01298      0.661897 6.63572      0.967991 7.34428      0.9071   2.52355  0.191792  2.66635  0.170101  
1 1 1 75 1  9  o 0.825413 0.295373  0.686215     0.619631 0.740073     0.852961 0.626034     0.901646 0.890354 0.341209  0.871248 0.346412  
1 1 1 75 1  10 o 0.605882 0.265607  -0.0423185   0.61502  1.2209       0.875006 -1.27575     0.864627 1.03654  0.352652  0.532196 0.258296  
1 1 1 75 1  11 o 0.95722  0.298409  1.0347       0.632334 0.852587     0.882072 1.22724      0.906958 0.92374  0.349018  1.03784  0.358709  
1 1 1 75 1  12 o 1.01246  0.298139  1.17794      0.643866 1.06371      0.890784 1.3029       0.931722 0.982376 0.353892  1.05786  0.363771  
1 1 1 75 1  13 o 2.21357  0.161784  5.08532      0.716242 5.80057      0.976811 4.25358      1.05335  2.33591  0.209086  1.96302  0.268299  
1 1 1 75 1  14 o 3.80331  0.11959   14.79        0.909677 14.3892      1.22151  15.2891      1.36305  3.71502  0.164402  3.81538  0.178626  
1 1 1 75 1  15 o 2.35392  0.171225  5.82296      0.806103 5.29505      1.16678  6.30503      1.11498  2.16821  0.269066  2.40056  0.232234  
1 1 1 75 1  16 o 2.96294  0.149231  9.14352      0.884328 9.23377      1.28697  9.06279      1.2172   2.90955  0.221163  2.89406  0.210293  
1 1 1 75 1  17 o 0.744745 0.318151  0.304252     0.840128 -0.576313    1.21329  1.11535      1.16445  0.712899 0.334435  0.980227 0.39232   
1 1 1 75 1  18 o 1.17624  0.336657  1.80944      0.832458 1.75473      1.25773  1.85209      1.11051  1.10108  0.416546  1.13928  0.396622  
1 1 1 75 1  19 o 0.707089 0.318774  0.0770691    0.952487 -0.248355    1.48865  0.302637     1.23939  0.781096 0.367328  0.803387 0.362828  
1 1 1 75 1  20 o 0.712    0.32593   -0.00543542  1.05292  0.902086     1.43497  -1.06394     1.54975  0.903826 0.400202  0.711185 0.345367  
1 1 1 75 1  21 o 1.53513  0.387713  3.56563      1.19139  4.99765      1.70679  2.20482      1.66381  1.64132  0.486049  1.06801  0.451642  
1 1 1 75 1  22 o 0.974121 0.377851  1.63901      1.05355  3.62331      1.45413  -0.553548    1.52854  1.33327  0.454615  0.700349 0.340968  
1 1 1 75 1  23 o 1.40793  0.365381  3.12668      1.03758  4.25601      1.48946  2.06198      1.44622  1.44765  0.459113  0.986705 0.419339  
1 1 1 75 1  24 o 0.753591 0.340574  0.790942     1.09387  -0.332431    1.60028  1.77618      1.49866  0.683318 0.336565  0.876972 0.397364  
1 1 1 75 2  0  o 1.56428  0.340713  2.87466      0.933021 2.87466      0.933021 2.87466      0.933021 1.64104  0.208586  ?        ?         
1 1 1 75 2  1  o 1.98344  0.174717  4.05294      0.69308  3.23005      0.972303 4.90299      0.988218 1.73127  0.280807  2.15929  0.228829  
1 1 1 75 2  2  o 1.97928  0.159795  4.01798      0.632556 4.88638      0.901529 3.1759       0.887767 2.16418  0.208285  1.72607  0.257164  
1 1 1 75 2  3  f 4.46375  0.0894178 20.0883      0.798278 18.9271      1.15654  21.1449      1.10322  4.31123  0.134131  4.56455  0.120847  
1 1 1 75 2  4  o 3.20611  0.111787  10.4139      0.716799 9.70952      1.04906  11.0307      0.981702 3.06951  0.170884  3.28311  0.149508  
1 1 1 75 2  5  o 1.25996  0.250676  1.74389      0.609262 2.22828      0.915182 1.35834      0.816492 1.38689  0.333533  1.08942  0.338983  
1 1 1 75 2  6  o 3.69236  0.0996926 13.786       0.736201 14.1112      1.08557  13.509       1.00176  3.71185  0.14623   3.63664  0.137732  
1 1 1 75 2  7  o 1.20501  0.258478  1.61555      0.604957 2.64356      0.912441 0.809203     0.808105 1.52179  0.310542  0.903316 0.335598  
1 1 1 75 2  8  o 0.900635 0.296516  0.888141     0.618605 0.323468     0.940231 1.31914      0.821434 0.809507 0.340781  1.06876  0.341154  
1 1 1 75 2  9  o 3.37032  0.109754  11.5283      0.739813 11.3178      1.04079  11.7433      1.0518   3.31409  0.157025  3.37661  0.155748  
1 1 1 75 2  10 o 2.64229  0.128747  7.12884      0.680373 6.35724      0.972388 7.8689       0.952312 2.46082  0.197574  2.75311  0.172952  
1 1 1 75 2  11 o 1.73238  0.195072  3.15376      0.675879 3.5879       0.936184 2.68115      0.976781 1.81487  0.25792   1.50666  0.33304   
1 1 1 75 2  12 o 1.33542  0.274685  2.03072      0.708495 1.7242       0.928084 2.45887      1.09686  1.18685  0.359835  1.40093  0.381329  
1 1 1 75 2  13 o 1.26473  0.293372  1.87047      0.728316 1.19196      1.00081  2.63433      1.06189  1.0146   0.374158  1.45297  0.365479  
1 1 1 75 2  14 o 2.25185  0.177009  5.34135      0.797195 5.80827      1.17124  4.93833      1.08815  2.28485  0.256306  2.105    0.258467  
1 1 1 75 2  15 o 1.76351  0.226861  3.40532      0.800142 3.85534      1.18063  3.02303      1.08816  1.76225  0.347348  1.54334  0.358985  
1 1 1 75 2  16 o 1.90154  0.219719  3.95217      0.835608 3.18493      1.20539  4.66199      1.1594   1.54653  0.38962   2.00387  0.289292  
1 1 1 75 2  17 o 0.519273 0.250977  -0.950152    0.792622 -0.237263    1.12136  -1.66198     1.12052  0.721569 0.332781  0.572595 0.2819    
1 1 1 75 2  18 o 1.71675  0.274094  3.49755      0.9411   3.3123       1.59695  3.59611      1.16486  1.38446  0.476229  1.62762  0.366647  
1 1 1 75 2  19 o 0.760107 0.329384  0.434846     0.924322 -0.0896029   1.46125  0.78466      1.19342  0.784991 0.368033  0.865611 0.374675  
1 1 1 75 2  20 o 1.2761   0.404005  2.56237      1.15373  1.68566      1.54089  3.68096      1.74052  1.01707  0.432563  1.36146  0.49426   
1 1 1 75 2  21 o 0.663361 0.314565  -0.255135    1.1245   -1.26588     1.63516  0.651804     1.54892  0.676625 0.333655  0.82275  0.383884  
1 1 1 75 2  22 o 1.19353  0.391299  2.53529      1.07729  2.287        1.50074  2.79926      1.54738  1.00962  0.428042  1.08922  0.445888  
1 1 1 75 2  23 o 0.577348 0.281221  -0.774054    1.04448  0.0715353    1.56666  -1.45062     1.40136  0.737077 0.355531  0.603894 0.300075  
1 1 1 75 2  24 o 1.10803  0.393517  2.64076      1.09796  5.2553       1.62105  0.424695     1.49242  1.3876   0.479567  0.701631 0.34016   
1 1 1 75 3  0  o 0.513106 0.342043  -0.103241    0.912401 -0.103241    0.912401 -0.103241    0.912401 0.430083 0.28693   ?        ?         
1 1 1 75 3  1  f 0.547541 0.251508  -0.379978    0.632981 -0.782617    0.923161 -0.022722    0.869581 0.618022 0.29025   0.719738 0.315671  
1 1 1 75 3  2  o 2.08289  0.150031  4.44547      0.624994 5.85912      0.91035  3.18509      0.859583 2.37309  0.191807  1.72691  0.24888   
1 1 1 75 3  3  o 1.29663  0.247557  1.8443       0.618985 2.97674      0.889578 0.781403     0.861836 1.65983  0.267973  0.907562 0.344378  
1 1 1 75 3  4  o 2.51568  0.127265  6.44536      0.640315 5.62223      0.928672 7.1913       0.88406  2.31856  0.200269  2.63968  0.167456  
1 1 1 75 3  5  o 1.71689  0.174068  3.05178      0.597714 3.03914      0.875965 3.0628       0.817638 1.67794  0.261023  1.6935   0.241404  
1 1 1 75 3  6  o 0.474531 0.226528  -0.691881    0.596017 -0.647125    0.847521 -0.735674    0.838345 0.601929 0.281861  0.585676 0.275494  
1 1 1 75 3  7  o 1.49981  0.207765  2.36851      0.623215 2.47343      0.945045 2.28777      0.829026 1.45442  0.332058  1.41402  0.302004  
1 1 1 75 3  8  o 1.06472  0.284316  1.29198      0.61704  0.322897     0.927272 2.06212      0.826627 0.803387 0.338325  1.33288  0.314744  
1 1 1 75 3  9  o 1.88503  0.176254  3.69555      0.66449  3.40649      0.959351 3.9621       0.921266 1.76322  0.272045  1.92034  0.23987   
1 1 1 75 3  10 o 3.51388  0.111181  12.5531      0.781353 14.2711      1.08959  10.7343      1.12109  3.72412  0.146288  3.21072  0.174585  
1 1 1 75 3  11 o 2.62846  0.141123  7.10817      0.741871 7.62588      0.989477 6.44351      1.12114  2.69668  0.183462  2.4473   0.229057  
1 1 1 75 3  12 f 1.04835  0.311223  1.30188      0.699193 1.49478      0.93381  1.05575      1.05483  1.10304  0.36431   0.983395 0.378776  
1 1 1 75 3  13 o 0.694586 0.296443  0.194428     0.728179 0.725615     1.02658  -0.343485    1.03306  0.892185 0.363863  0.699582 0.321329  
1 1 1 75 3  14 o 0.702639 0.300346  0.218502     0.749534 0.590402     1.07516  -0.133145    1.04547  0.864673 0.364228  0.729101 0.330967  
1 1 1 75 3  15 o 2.57033  0.169012  6.96715      0.868835 6.93006      1.27902  6.99894      1.18392  2.48028  0.257839  2.51636  0.235244  
1 1 1 75 3  16 o 0.82532  0.331137  0.670432     0.832502 0.326273     1.30136  0.90884      1.08313  0.847082 0.377542  0.917572 0.373906  
1 1 1 75 3  17 o 0.597194 0.281267  -0.550059    0.879216 -1.68578     1.35234  0.281481     1.15715  0.632905 0.310978  0.795029 0.35513   
1 1 1 75 3  18 o 0.803745 0.339258  0.625595     0.935947 1.57411      1.55055  0.081889     1.17394  1.01966  0.433799  0.755613 0.345167  
1 1 1 75 3  19 o 1.51079  0.350666  3.13509      1.04006  2.62116      1.44614  3.68573      1.4969   1.22008  0.44978   1.46477  0.459628  
1 1 1 75 3  20 o 0.985819 0.381654  1.56539      1.07379  1.71255      1.58018  1.43914      1.46364  0.981183 0.427969  0.943259 0.411652  
1 1 1 75 3  21 o 0.652702 0.312662  -0.350747    1.16066  -0.39251     1.77434  -0.319511    1.5345   0.739566 0.361423  0.716071 0.346631  
1 1 1 75 3  22 o 0.657947 0.313721  -0.216297    1.13468  0.387911     1.53543  -0.943287    1.68422  0.772838 0.366996  0.688315 0.339229  
1 1 1 75 3  23 o 0.73436  0.331807  0.700254     1.0377   1.95323      1.56778  -0.276675    1.38435  0.888171 0.403738  0.660394 0.322045  
1 1 1 75 4  0  o 3.27046  0.162641  10.9381      1.05782  10.9381      1.05782  10.9381      1.05782  3.28901  0.114022  ?        ?         
1 1 1 75 4  1  o 1.48189  0.215991  2.31573      0.640148 2.47945      0.939179 2.17367      0.874853 1.46139  0.32923   1.36891  0.324144  
1 1 1 75 4  2  o 3.1721   0.108505  10.2018      0.688381 9.21837      1.0113   11.0508      0.939673 2.98622  0.169329  3.28497  0.143026  
1 1 1 75 4  3  o 1.55531  0.197841  2.53197      0.615409 2.19716      0.89723  2.82942      0.845694 1.37162  0.330489  1.61761  0.261402  
1 1 1 75 4  4  o 0.880784 0.287367  0.8476       0.58102  -0.105122    0.827692 1.77316      0.815809 0.683357 0.303088  1.23192  0.32599   
1 1 1 75 4  5  o 0.690956 0.277815  0.317353     0.587736 1.03694      0.840157 -0.37229     0.822492 0.974864 0.344431  0.63333  0.289145  
1 1 1 75 4  6  o 1.33304  0.237742  1.94788      0.611048 1.29604      0.870368 2.58144      0.858068 1.05951  0.351716  1.50792  0.295044  
1 1 1 75 4  7  o 1.87037  0.168212  3.62382      0.629238 3.50835      0.901245 3.73365      0.878929 1.80277  0.249962  1.86759  0.235311  
1 1 1 75 4  8  o 3.31855  0.110661  11.19        0.734472 10.982       1.02715  11.4075      1.05065  3.26099  0.15749   3.32318  0.15808   
1 1 1 75 4  9  f 1.71656  0.206278  3.11919      0.708176 3.33309      0.935387 2.83194      1.08399  1.74102  0.268632  1.52703  0.36032   
1 1 1 75 4  10 o 2.08962  0.16587   4.54324      0.693209 4.59277      0.933231 4.48227      1.0354   2.06731  0.225712  2.02227  0.255999  
1 1 1 75 4  11 o 0.737745 0.296713  0.415875     0.670695 0.65155      0.911398 0.137485     0.990551 0.859893 0.345865  0.770336 0.337395  
1 1 1 75 4  12 o 0.803513 0.307361  0.633086     0.691087 1.9368       0.934907 -0.937486    1.02614  1.23834  0.357538  0.621478 0.296809  
1 1 1 75 4  13 o 1.61347  0.229925  2.85496      0.741952 2.08645      1.01667  3.73061      1.08524  1.26327  0.375341  1.75894  0.320347  
1 1 1 75 4  14 o 3.12001  0.136194  10.0777      0.849854 11.441       1.24671  8.89439      1.16155  3.27203  0.190511  2.87343  0.202119  
1 1 1 75 4  15 o 0.862566 0.339676  0.786661     0.859248 0.685827     1.32543  0.859757     1.1285   0.911541 0.394709  0.916632 0.378833  
1 1 1 75 4  16 o 0.803151 0.330845  0.607609     0.85723  1.66775      1.38068  -0.0574223   1.09353  1.07251  0.427966  0.73306  0.334285  
1 1 1 75 4  17 o 0.970203 0.352823  1.27191      0.887245 1.28276      1.39813  1.26459      1.14803  0.975463 0.413335  0.965758 0.388288  
1 1 1 75 4  18 o 2.28743  0.215806  5.90576      0.987284 5.93231      1.68803  5.89195      1.21718  1.95521  0.44201   2.20799  0.27563   
1 1 1 75 4  19 o 0.959256 0.37601   1.36072      1.04897  2.74656      1.47655  -0.0514129   1.49049  1.21724  0.453356  0.777617 0.366234  
1 1 1 75 4  20 f 0.622356 0.298783  -0.51057     1.07466  -0.760275    1.72756  -0.352947    1.37256  0.718766 0.352624  0.697431 0.335514  
1 1 1 75 4  21 o 0.759418 0.338313  0.665447     1.04388  0.995578     1.5846   0.412336     1.38749  0.829946 0.387645  0.756291 0.355361  
1 1 1 75 4  22 o 0.757485 0.343472  0.659251     1.12171  0.572745     1.50858  0.766216     1.67751  0.773678 0.365681  0.800307 0.381566  
1 1 1 75 4  23 o 0.729671 0.333469  0.804229     1.09712  1.60528      1.57441  0.0480353    1.5297   0.807862 0.379341  0.67659  0.331895  
1 1 1 75 5  0  o 0.608677 0.377773  0.408816     0.894841 0.408816     0.894841 0.408816     0.894841 0.556636 0.331258  ?        ?         
1 1 1 75 5  1  o 1.39834  0.227376  2.07978      0.635898 0.688537     0.990148 3.05642      0.829594 0.904458 0.361862  1.68676  0.245914  
1 1 1 75 5  2  o 3.82973  0.0994273 14.8459      0.761559 13.7024      1.11898  15.8326      1.03943  3.64916  0.153321  3.93694  0.132009  
1 1 1 75 5  3  o 0.60602  0.263133  0.00471547   0.592097 -0.701473    0.84429  0.688155     0.83058  0.59165  0.277812  0.868198 0.335756  
1 1 1 75 5  4  o 2.19658  0.140542  4.94434      0.617422 4.98694      0.882649 4.90353      0.863983 2.17772  0.202655  2.16085  0.199917  
1 1 1 75 5  5  o 2.26562  0.139233  5.25976      0.630898 5.37734      0.919541 5.15519      0.867207 2.2599   0.203447  2.21696  0.195585  
1 1 1 75 5  6  o 0.762333 0.290888  0.518063     0.617741 0.630535     0.856566 0.396167     0.89173  0.855375 0.338415  0.806798 0.335296  
1 1 1 75 5  7  o 2.01341  0.168403  4.20885      0.678128 3.7921       0.920906 4.70251      1.00229  1.87212  0.245952  2.0886   0.239944  
1 1 1 75 5  8  o 1.29027  0.267876  1.88622      0.668176 2.5244       0.907764 1.1316       0.987102 1.46521  0.318667  1.00643  0.371506  
1 1 1 75 5  9  o 2.92535  0.13032   8.7763       0.762466 8.30943      1.04933  9.29852      1.10978  2.81017  0.186703  2.97275  0.186659  
1 1 1 75 5  10 o 1.63717  0.21701   2.88064      0.710563 3.1819       0.947551 2.49356      1.07408  1.65479  0.297093  1.40189  0.375459  
1 1 1 75 5  11 o 3.5912   0.114725  13.1866      0.824    13.3222      1.1099   13.0201      1.22995  3.57673  0.155156  3.51713  0.174851  
1 1 1 75 5  12 o 1.04975  0.315198  1.34417      0.714424 0.424566     0.968944 2.43968      1.05756  0.808115 0.343334  1.36732  0.37544   
1 1 1 75 5  13 o 0.736893 0.309954  0.338527     0.776748 -0.361412    1.19461  0.851176     1.02237  0.737473 0.341396  0.909041 0.366033  
1 1 1 75 5  14 o 1.53322  0.273609  2.749        0.80881  2.20595      1.27931  3.11058      1.04391  1.23928  0.426249  1.57112  0.341754  
1 1 1 75 5  15 o 1.11739  0.352169  1.66952      0.877501 3.18135      1.38483  0.655252     1.13428  1.44375  0.439914  0.860911 0.368786  
1 1 1 75 5  16 o 0.75228  0.321745  0.42283      0.860983 0.253331     1.36901  0.533739     1.1074   0.821107 0.374326  0.820378 0.358046  
1 1 1 75 5  17 o 0.753745 0.326029  0.426594     0.902459 0.814342     1.46597  0.18998      1.14517  0.895988 0.399986  0.762046 0.346046  
1 1 1 75 5  18 o 1.05995  0.366546  1.65544      0.947131 2.13222      1.57422  1.38494      1.18575  1.09188  0.448819  0.970152 0.392725  
1 1 1 75 5  19 o 0.709052 0.325866  0.187634     1.06412  0.0690873    1.48532  0.312646     1.52528  0.759465 0.360794  0.787868 0.370893  
1 1 1 75 5  20 f 1.59094  0.363358  3.89838      1.13127  4.54224      1.78929  3.46961      1.46014  1.34734  0.499609  1.27165  0.453584  
1 1 1 75 5  21 o 0.4948   0.246986  -1.73053     1.00414  -1.94888     1.53014  -1.56536     1.33077  0.604964 0.302388  0.58794  0.292185  
1 1 1 75 5  22 o 0.882436 0.374389  1.65087      1.14943  3.07197      1.59872  0.130237     1.65377  1.01588  0.436585  0.705439 0.345741  
1 1 1 75 6  0  o 0.519641 0.343637  -0.0112023   0.890452 -0.0112023   0.890452 -0.0112023   0.890452 0.441833 0.290968  ?        ?         
1 1 1 75 6  1  o 1.45179  0.223821  2.24294      0.649881 1.13859      0.958826 3.1814       0.883883 1.01465  0.366996  1.71181  0.258172  
1 1 1 75 6  2  o 0.973502 0.299042  1.07788      0.638177 1.18431      0.950181 0.990408     0.861377 1.0263   0.365918  0.959531 0.347769  
1 1 1 75 6  3  o 3.92844  0.100816  15.6374      0.792101 15.89        1.14847  15.4082      1.09392  3.93164  0.146055  3.87506  0.141149  
1 1 1 75 6  4  o 2.55006  0.130484  6.64976      0.665482 6.97069      0.936656 6.32262      0.945678 2.58423  0.181225  2.45449  0.192642  
1 1 1 75 6  5  o 0.834394 0.292909  0.734313     0.606732 0.891789     0.854751 0.574383     0.861384 0.925397 0.344879  0.839459 0.336823  
1 1 1 75 6  6  o 2.99375  0.119991  9.14471      0.718443 8.00691      0.966429 10.5503      1.07415  2.77077  0.174397  3.1848   0.168637  
1 1 1 75 6  7  f 0.884083 0.307246  0.859439     0.666167 1.11929      0.904378 0.551207     0.984978 0.992247 0.356667  0.857884 0.3542    
1 1 1 75 6  8  o 1.1383   0.291511  1.51728      0.666559 0.434539     0.916769 2.73159      0.97087  0.811317 0.338747  1.50882  0.33077   
1 1 1 75 6  9  o 1.89207  0.184216  3.77706      0.697101 3.1639       0.95318  4.48212      1.02213  1.64479  0.300957  2.01353  0.253814  
1 1 1 75 6  10 o 2.28778  0.158703  5.46389      0.726157 4.76597      0.952677 6.43162      1.12181  2.09003  0.227909  2.4249   0.23131   
1 1 1 75 6  11 o 1.87863  0.193932  3.77355      0.728654 4.21454      1.00463  3.28408      1.05842  1.93674  0.259362  1.63406  0.335387  
1 1 1 75 6  12 f 2.50181  0.179232  6.64147      0.896806 6.75845      1.24363  6.51473      1.29445  2.45497  0.253288  2.39211  0.270566  
1 1 1 75 6  13 o 0.814268 0.325065  0.638022     0.796877 0.770086     1.24239  0.545714     1.03868  0.916453 0.389048  0.839461 0.356012  
1 1 1 75 6  14 o 2.38924  0.213495  6.29611      1.02018  5.65788      1.44032  6.93869      1.4452   2.11821  0.339984  2.39993  0.301093  
1 1 1 75 6  15 o 0.893605 0.339845  0.993199     0.84086  1.99515      1.41089  0.441284     1.04715  1.12023  0.436696  0.795175 0.347597  
1 1 1 75 6  16 f 1.3377   0.333508  2.3997       0.890177 2.00401      1.41919  2.65635      1.14297  1.10064  0.435554  1.32702  0.398726  
1 1 1 75 6  17 o 0.98698  0.363709  1.39514      0.945545 1.34138      1.52758  1.42853      1.20389  0.967556 0.421417  0.982777 0.39659   
1 1 1 75 6  18 o 0.812286 0.353034  0.762623     1.06773  0.591046     1.5872   0.904456     1.44308  0.836094 0.389525  0.863226 0.390593  
1 1 1 75 6  19 o 1.27248  0.404221  2.86221      1.15424  2.04375      1.69382  3.57178      1.57711  0.9707   0.431736  1.26072  0.468741  
1 1 1 75 6  20 f 0.616841 0.296012  -0.431857    1.05208  -0.916058    1.66262  -0.108502    1.35869  0.685388 0.33761   0.704587 0.337702  
1 1 1 75 6  21 o 0.737225 0.335823  0.590184     1.09717  2.04107      1.5398   -0.906196    1.56375  0.933029 0.413665  0.65484  0.323721  
1 1 1 75 7  0  o 0.416816 0.293446  -0.728347    0.89278  -0.728347    0.89278  -0.728347    0.89278  0.327672 0.234303  ?        ?         
1 1 1 75 7  1  o 2.63579  0.125265  7.09718      0.660344 7.21995      0.896174 6.95133      0.976755 2.63501  0.170051  2.57345  0.189775  
1 1 1 75 7  2  o 2.55004  0.132328  6.66076      0.674881 7.71802      0.933441 5.50277      0.976893 2.72306  0.171395  2.27397  0.214799  
1 1 1 75 7  3  o 1.88464  0.176299  3.7078       0.66452  3.76526      0.936489 3.64952      0.943093 1.85891  0.251891  1.82632  0.258195  
1 1 1 75 7  4  o 1.14823  0.280397  1.5196       0.639238 2.14091      0.869345 0.788235     0.943203 1.33995  0.326855  0.906944 0.356286  
1 1 1 75 7  5  o 0.874617 0.302167  0.841709     0.643513 1.40228      0.889059 0.224846     0.932634 1.07919  0.355473  0.773518 0.332967  
1 1 1 75 7  6  o 2.79847  0.127739  8.0283       0.71495  8.30728      0.991791 7.72651      1.03156  2.81573  0.176116  2.70492  0.190683  
1 1 1 75 7  7  o 1.98066  0.176094  4.11752      0.697567 3.49011      0.936583 4.89915      1.04537  1.77115  0.2644    2.11169  0.247521  
1 1 1 75 7  8  o 2.09558  0.165612  4.59442      0.694104 5.72791      0.95867  3.34553      1.00628  2.3104   0.207468  1.68055  0.31109   
1 1 1 75 7  9  f 1.34427  0.259648  2.07246      0.673159 2.25362      0.918683 1.86243      0.989204 1.34246  0.341303  1.19702  0.373248  
1 1 1 75 7  10 o 2.09872  0.192874  4.70889      0.809577 3.38547      1.13663  6.07161      1.15338  1.63749  0.35697   2.33589  0.246883  
1 1 1 75 7  11 o 1.06931  0.332212  1.43001      0.784605 1.6879       1.24474  1.25999      1.01067  1.1202   0.416442  1.00998  0.375292  
1 1 1 75 7  12 o 0.681333 0.299537  0.0881063    0.786775 -2.10123     1.23745  1.57368      1.01934  0.581095 0.287436  1.08976  0.379933  
1 1 1 75 7  13 o 0.958096 0.34875   1.16451      0.867057 -0.267249    1.35356  2.16084      1.12913  0.769434 0.358951  1.22582  0.400603  
1 1 1 75 7  14 o 1.41961  0.324771  2.60449      0.902527 1.20315      1.39663  3.60928      1.18263  0.969868 0.412132  1.62296  0.372092  
1 1 1 75 7  15 o 1.01016  0.352572  1.42382      0.878014 2.15777      1.4769   1.02262      1.09193  1.12687  0.44483   0.90438  0.373116  
1 1 1 75 7  16 o 1.41383  0.334133  2.68913      0.931012 1.11711      1.5753   3.53296      1.15415  0.939626 0.417268  1.58161  0.370898  
1 1 1 75 7  17 o 0.463967 0.231527  -1.7625      0.879189 -2.15459     1.40437  -1.50978     1.12747  0.59172  0.294902  0.562722 0.277385  
1 1 1 75 7  18 o 0.661403 0.312964  -0.208085    1.10776  -2.02352     1.57693  1.56061      1.55649  0.617797 0.308542  0.923789 0.41228   
1 1 1 75 7  19 o 0.645749 0.309043  -0.285467    1.1273   -0.870565    1.64825  0.228763     1.54521  0.683132 0.336431  0.75331  0.360832  
1 1 1 75 7  20 o 0.566077 0.277719  -0.980699    1.07163  -1.75232     1.48443  -0.140874    1.54865  0.601669 0.300327  0.717589 0.347516  
1 1 1 75 7  21 o 0.771286 0.347911  1.09115      1.13617  1.67281      1.61949  0.527397     1.59437  0.812058 0.38225   0.714787 0.348039  
1 1 1 75 8  0  o 0.728006 0.408201  0.869388     0.883736 0.869388     0.883736 0.869388     0.883736 0.733927 0.360647  ?        ?         
1 1 1 75 8  1  o 1.90484  0.178001  3.80197      0.678128 4.10887      0.899438 3.39775      1.03226  1.95055  0.23056   1.70385  0.314755  
1 1 1 75 8  2  o 3.29556  0.118576  11.0932      0.781551 11.7255      1.0303   10.2363      1.19944  3.36486  0.153097  3.11286  0.192658  
1 1 1 75 8  3  o 0.633188 0.272548  0.0850266    0.624823 -0.194773    0.846447 0.420033     0.926195 0.663235 0.299673  0.81046  0.339565  
1 1 1 75 8  4  o 0.62799  0.271003  0.0734408    0.620785 0.283016     0.849746 -0.166436    0.909102 0.757201 0.321608  0.68955  0.311117  
1 1 1 75 8  5  o 1.11024  0.28791   1.44699      0.644541 1.71219      0.90103  1.16907      0.922381 1.17214  0.354387  0.99841  0.360069  
1 1 1 75 8  6  o 1.36031  0.245692  2.0831       0.643958 1.95017      0.883788 2.23354      0.940217 1.25274  0.342873  1.33852  0.348025  
1 1 1 75 8  7  o 1.11083  0.294976  1.4744       0.6665   2.09473      0.897218 0.710593     0.995583 1.29472  0.341529  0.878741 0.358345  
1 1 1 75 8  8  o 0.745228 0.296401  0.480882     0.660291 0.586342     0.903981 0.360265     0.966762 0.82962  0.34041   0.794393 0.340385  
1 1 1 75 8  9  o 1.03244  0.327241  1.31615      0.756784 1.14946      1.13939  1.44773      1.01235  0.992091 0.391001  1.06457  0.377885  
1 1 1 75 8  10 o 0.639221 0.285559  -0.0647614   0.748341 0.319288     1.07072  -0.431515    1.04633  0.806925 0.352121  0.68298  0.317447  
1 1 1 75 8  11 o 1.75917  0.223903  3.41286      0.787764 3.49952      1.20468  3.34813      1.04124  1.627    0.377242  1.6416   0.328746  
1 1 1 75 8  12 o 1.25918  0.340568  2.0784       0.878348 3.45248      1.52177  1.39195      1.0756   1.47095  0.463803  1.01831  0.385214  
1 1 1 75 8  13 o 1.65083  0.27233   3.23058      0.899143 3.46616      1.39353  3.06255      1.17691  1.49121  0.438449  1.45896  0.394052  
1 1 1 75 8  14 o 0.713201 0.313225  0.263662     0.858513 0.27861      1.40632  0.254783     1.08392  0.820669 0.376093  0.761259 0.341779  
1 1 1 75 8  15 o 0.412532 0.208571  -2.46348     0.849911 -2.50498     1.48002  -2.44306     1.03816  0.600537 0.299779  0.479476 0.241266  
1 1 1 75 8  16 o 1.2142   0.359197  2.1583       0.93252  3.14946      1.59199  1.64059      1.15057  1.2691   0.471128  1.01698  0.394786  
1 1 1 75 8  17 o 0.569968 0.277051  -0.85472     1.00142  -2.76152     1.44164  0.923314     1.39211  0.555486 0.280144  0.842633 0.38233   
1 1 1 75 8  18 o 1.14848  0.415407  2.5936       1.22847  3.22862      1.66748  1.8398       1.81675  1.13642  0.463647  0.921106 0.42434   
1 1 1 75 8  19 f 0.698422 0.325883  0.162946     1.1163   -0.0401237   1.65647  0.331899     1.51092  0.745478 0.360741  0.763896 0.363369  
1 1 1 75 8  20 o 0.566872 0.277979  -0.760331    1.0715   -0.467236    1.49738  -1.06791     1.53394  0.655343 0.322777  0.623061 0.310197  
1 1 1 75 9  0  o 2.07341  0.237209  4.65169      0.95438  4.65169      0.95438  4.65169      0.95438  2.11658  0.161585  ?        ?         
1 1 1 75 9  1  o 1.81935  0.185113  3.49623      0.673573 4.22783      0.935091 2.70722      0.97108  1.96618  0.237794  1.49241  0.333774  
1 1 1 75 9  2  o 0.598282 0.269922  -0.176493    0.684195 -0.0369301   0.911279 -0.356816    1.03584  0.70956  0.316099  0.699534 0.321498  
1 1 1 75 9  3  o 0.943623 0.307087  1.0433       0.663497 1.397        0.878189 0.572866     1.01279  1.06381  0.353293  0.85597  0.356632  
1 1 1 75 9  4  o 1.9181   0.179165  3.88442      0.687315 4.95683      0.915927 2.5022       1.03984  2.14252  0.21375   1.39927  0.367016  
1 1 1 75 9  5  o 0.417573 0.205665  -1.14814     0.608771 -0.284006    0.807062 -2.28884     0.927264 0.625749 0.28599   0.464882 0.232441  
1 1 1 75 9  6  o 3.16674  0.119158  10.2896      0.754684 10.9646      1.05339  9.57774      1.08174  3.23357  0.162883  3.00688  0.179878  
1 1 1 75 9  7  o 3.2282   0.13379   10.7703      0.863801 10.2923      1.20859  11.2694      1.23503  3.10048  0.194904  3.24963  0.190027  
1 1 1 75 9  8  o 2.55932  0.159305  6.86758      0.815422 7.0976       1.18867  6.66312      1.12069  2.5349   0.234461  2.4629   0.227515  
1 1 1 75 9  9  o 0.796889 0.314823  0.610558     0.740318 1.00685      1.1326   0.314936     0.978221 0.952785 0.384593  0.782514 0.338969  
1 1 1 75 9  10 o 1.65454  0.245749  3.08875      0.813206 2.25476      1.19812  3.80113      1.10733  1.25206  0.41266   1.74591  0.329168  
1 1 1 75 9  11 o 1.69614  0.257458  3.32043      0.873368 4.27464      1.42403  2.74511      1.10575  1.72514  0.416788  1.40415  0.383168  
1 1 1 75 9  12 o 0.73455  0.320215  0.308418     0.883622 0.611402     1.50811  0.150032     1.09039  0.888087 0.400703  0.754275 0.340502  
1 1 1 75 9  13 o 1.00991  0.353799  1.42593      0.884825 1.67236      1.49003  1.29169      1.09972  1.03445  0.431883  0.964132 0.382817  
1 1 1 75 9  14 o 1.05901  0.351336  1.58611      0.868484 2.87343      1.43388  0.840203     1.09147  1.28497  0.450363  0.861717 0.365173  
1 1 1 75 9  15 o 1.81416  0.258793  3.95345      0.938984 2.80455      1.6231   4.53138      1.15118  1.19656  0.46799   1.88218  0.30581   
1 1 1 75 9  16 o 1.49367  0.325599  3.13041      0.945687 2.98129      1.49253  3.23043      1.22237  1.1933   0.45308   1.37118  0.412412  
1 1 1 75 9  17 o 1.21721  0.396437  2.62963      1.10577  0.978636     1.47113  4.77382      1.67652  0.833416 0.383075  1.4637   0.488142  
1 1 1 75 9  18 o 0.561888 0.279218  -1.5638      1.21419  -1.51231     1.78878  -1.6078      1.65344  0.670762 0.334089  0.645456 0.321446  
1 1 1 75 9  19 o 0.724379 0.329784  0.556599     1.0548   1.32057      1.46342  -0.269423    1.52169  0.836381 0.383444  0.687587 0.335726  
1 1 1 75 10 0  o 0.480048 0.329633  -0.344056    0.96966  -0.344056    0.96966  -0.344056    0.96966  0.39456  0.272871  ?        ?         
1 1 1 75 10 1  o 0.648716 0.28082   0.102926     0.670523 0.668634     0.963923 -0.427456    0.933342 0.861084 0.352114  0.649591 0.301115  
1 1 1 75 10 2  o 1.21414  0.28725   1.74988      0.687497 1.12833      0.949742 2.4341       0.996475 0.976131 0.363587  1.38143  0.357868  
1 1 1 75 10 3  o 1.55235  0.230126  2.64468      0.714472 2.67425      1.07221  2.62107      0.958202 1.43779  0.370619  1.45405  0.335988  
1 1 1 75 10 4  o 1.34972  0.259182  2.09466      0.674683 2.26566      0.879494 1.85014      1.05173  1.35396  0.327816  1.18182  0.386629  
1 1 1 75 10 5  o 1.86142  0.209266  3.75085      0.779067 4.2837       1.09227  3.19906      1.11152  1.93023  0.282936  1.5874   0.358546  
1 1 1 75 10 6  o 0.670877 0.293665  0.0849525    0.74953  -0.102752    1.03911  0.288546     1.0822   0.728841 0.330528  0.805407 0.352707  
1 1 1 75 10 7  o 0.784725 0.312094  0.572277     0.732029 0.765502     1.06711  0.400526     1.00607  0.893028 0.368689  0.806068 0.346373  
1 1 1 75 10 8  o 1.03     0.326518  1.33318      0.753422 0.198278     1.10461  2.32047      1.03027  0.787223 0.349523  1.31582  0.373866  
1 1 1 75 10 9  o 2.43435  0.174589  6.32933      0.850024 5.89263      1.27557  6.67816      1.14004  2.23259  0.28567   2.43982  0.233633  
1 1 1 75 10 10 o 1.75984  0.255489  3.5813       0.899242 2.45531      1.43533  4.30883      1.15374  1.23257  0.448705  1.8744   0.307762  
1 1 1 75 10 11 o 0.895094 0.346649  1.0039       0.886006 -0.235584    1.44921  1.74371      1.11962  0.775749 0.364205  1.08523  0.396177  
1 1 1 75 10 12 o 1.28347  0.343263  2.25364      0.898551 1.6396       1.48781  2.6062       1.12738  1.02756  0.430443  1.31729  0.396035  
1 1 1 75 10 13 o 0.520703 0.253981  -1.08727     0.862776 -1.93401     1.4921   -0.661971    1.05749  0.63675  0.315126  0.629582 0.300829  
1 1 1 75 10 14 o 0.730644 0.320795  0.363999     0.9      -1.13555     1.58771  1.07397      1.09247  0.70192  0.342762  0.89681  0.371814  
1 1 1 75 10 15 o 0.613188 0.289203  -0.310765    0.935821 1.96419      1.55208  -1.61022     1.17303  0.995577 0.429057  0.557637 0.27674   
1 1 1 75 10 16 f 0.775809 0.332326  0.763979     0.921065 0.727562     1.45212  0.788493     1.1914   0.805879 0.374339  0.797741 0.358237  
1 1 1 75 10 17 o 0.524009 0.260525  -1.54611     1.06369  -1.51692     1.46133  -1.57901     1.55126  0.616145 0.306199  0.628787 0.312894  
1 1 1 75 10 18 o 1.02349  0.407612  2.19404      1.25025  3.07453      1.86827  1.47992      1.68253  1.03191  0.456815  0.864918 0.402218  
1 1 1 75 10 19 o 0.52341  0.260041  -1.14296     1.05026  -0.344598    1.45194  -2.01914     1.52105  0.642381 0.316371  0.560601 0.283193  
1 1 1 75 11 0  o 2.61633  0.207057  7.24321      1.06785  7.24321      1.06785  7.24321      1.06785  2.65473  0.143166  ?        ?         
1 1 1 75 11 1  o 4.62294  0.114979  21.908       1.06308  21.9696      1.6028   21.8596      1.42051  4.55602  0.175899  4.57246  0.155333  
1 1 1 75 11 2  o 1.23365  0.289281  1.81844      0.702124 1.66183      0.99367  1.9746       0.99224  1.12676  0.375805  1.22562  0.372159  
1 1 1 75 11 3  o 0.573718 0.263659  -0.308632    0.696552 0.848699     1.0435   -1.23873     0.935472 0.909558 0.368326  0.550868 0.267769  
1 1 1 75 11 4  o 0.850145 0.323835  0.77651      0.764509 -1.58501     1.29085  2.05237      0.948814 0.638201 0.311179  1.25678  0.359323  
1 1 1 75 11 5  o 0.478284 0.234026  -1.19312     0.750039 -1.03165     1.16175  -1.30853     0.982153 0.648153 0.311043  0.560299 0.272879  
1 1 1 75 11 6  o 0.904812 0.333892  0.964636     0.797214 1.53956      1.14432  0.422445     1.11127  1.07096  0.399061  0.826274 0.359652  
1 1 1 75 11 7  f 1.02588  0.334468  1.35289      0.787096 1.42445      1.1418   1.28809      1.0865   1.03097  0.394869  0.997113 0.384345  
1 1 1 75 11 8  o 0.851858 0.336969  0.80878      0.849133 0.699959     1.15257  0.937961     1.25577  0.868379 0.371858  0.924363 0.391707  
1 1 1 75 11 9  o 2.52666  0.202615  7.03702      1.02388  6.25048      1.55673  7.63666      1.35925  2.17858  0.35728   2.54751  0.26678   
1 1 1 75 11 10 o 0.746252 0.332801  0.239098     1.01255  0.2758       1.46536  0.205562     1.40074  0.833019 0.382653  0.814606 0.374164  
1 1 1 75 11 11 o 0.527684 0.259762  -1.36627     0.951014 -3.53757     1.41366  0.428778     1.28535  0.534071 0.270008  0.820315 0.370037  
1 1 1 75 11 12 o 0.586065 0.281574  -0.776309    0.958964 -1.22067     1.46648  -0.444336    1.26753  0.679188 0.331256  0.705006 0.334151  
1 1 1 75 11 13 o 0.689852 0.316472  0.00506833   0.998666 0.763391     1.47396  -0.638474    1.35783  0.866899 0.393371  0.695687 0.334439  
1 1 1 75 11 14 o 0.710524 0.326586  0.19948      1.06923  -1.12647     1.55932  1.37618      1.46895  0.673151 0.331581  0.911503 0.40409   
1 1 1 75 11 15 o 0.799999 0.348617  0.84823      1.0465   0.922039     1.46707  0.771765     1.49324  0.830236 0.382005  0.81406  0.378703  
1 1 1 75 11 16 o 0.597191 0.290097  -0.725119    1.09487  0.0780631    1.45835  -1.76259     1.65745  0.733817 0.351266  0.635564 0.31726   
1 1 1 75 11 17 o 0.587732 0.286911  -0.806485    1.10928  -0.683428    1.62651  -0.913494    1.51675  0.686007 0.337902  0.655859 0.323003  
1 1 1 75 11 18 o 0.817623 0.360792  1.38684      1.15281  -0.0278805   1.60803  2.88281      1.65357  0.677094 0.333475  0.943963 0.423013  
1 1 1 75 12 0  o 2.38941  0.229297  6.15493      1.07259  6.15493      1.07259  6.15493      1.07259  2.43641  0.157146  ?        ?         
1 1 1 75 12 1  o 1.31431  0.287492  2.06928      0.734929 1.09899      1.0775   2.91338      1.00498  0.964056 0.380143  1.51946  0.33936   
1 1 1 75 12 2  o 1.00123  0.324978  1.25029      0.743121 2.20789      1.162    0.587635     0.966627 1.25253  0.406359  0.831251 0.347503  
1 1 1 75 12 3  o 1.35394  0.298141  2.23049      0.785542 2.62804      1.30348  2.00377      0.984383 1.33634  0.430071  1.22024  0.370715  
1 1 1 75 12 4  o 0.68457  0.300307  0.129186     0.787312 -0.483646    1.33252  0.457864     0.975863 0.744094 0.349324  0.799856 0.34233   
1 1 1 75 12 5  o 0.637045 0.289377  -0.131678    0.802246 0.780932     1.27189  -0.734649    1.03384  0.903204 0.388816  0.629899 0.300078  
1 1 1 75 12 6  o 0.577279 0.27131   -0.514037    0.809672 0.214643     1.35366  -0.919957    1.01033  0.824089 0.374755  0.599514 0.288274  
1 1 1 75 12 7  o 2.39423  0.182242  6.20374      0.872657 7.00701      1.41183  5.70712      1.11011  2.40355  0.293697  2.22412  0.249562  
1 1 1 75 12 8  o 0.955123 0.348042  1.21662      0.863744 1.32622      1.35849  1.14226      1.11907  0.982741 0.411471  0.938208 0.380814  
1 1 1 75 12 9  o 0.93033  0.361557  1.16028      0.965603 0.959012     1.45203  1.31985      1.29292  0.918183 0.405073  0.971218 0.403688  
1 1 1 75 12 10 o 0.735474 0.325332  0.289222     0.945083 0.893662     1.42572  -0.184557    1.26226  0.902316 0.399301  0.73518  0.344209  
1 1 1 75 12 11 o 1.81933  0.291963  4.11774      1.06235  4.12339      1.51201  4.11222      1.49296  1.5658   0.455536  1.57189  0.45116   
1 1 1 75 12 12 o 0.644881 0.302477  -0.275608    0.991006 0.848279     1.46317  -1.22815     1.34702  0.869809 0.393451  0.640088 0.313297  
1 1 1 75 12 13 o 0.862177 0.362899  1.10043      1.06597  1.01524      1.60122  1.16824      1.42853  0.864582 0.398329  0.879339 0.393638  
1 1 1 75 12 14 o 0.850486 0.363075  1.11691      1.09282  0.222527     1.61454  1.87312      1.48459  0.768554 0.368304  0.958979 0.416528  
1 1 1 75 12 15 o 0.693989 0.319853  0.233754     1.03372  -0.209139    1.50238  0.631942     1.42454  0.713153 0.344831  0.786124 0.36732   
1 1 1 75 12 16 o 0.694096 0.325234  0.161906     1.13529  0.62196      1.52684  -0.406945    1.69781  0.783113 0.369364  0.715182 0.350452  
1 1 1 75 12 17 o 0.649503 0.310744  0.0717862    1.13751  0.402298     1.63806  -0.236034    1.58083  0.715755 0.349271  0.669059 0.3295    
1 1 1 75 13 0  o 2.31341  0.346446  6.3434       1.49499  6.3434       1.49499  6.3434       1.49499  2.42355  0.222399  ?        ?         
1 1 1 75 13 1  o 1.28148  0.321633  2.10104      0.823756 2.52153      1.21555  1.74393      1.12021  1.30387  0.414881  1.10505  0.396979  
1 1 1 75 13 2  o 1.46443  0.2817    2.58834      0.795619 2.83182      1.24689  2.42112      1.03332  1.38172  0.416718  1.32293  0.373948  
1 1 1 75 13 3  o 1.67403  0.24968   3.22009      0.835944 3.25259      1.29967  3.19716      1.09174  1.47979  0.419737  1.54587  0.359575  
1 1 1 75 13 4  f 2.73738  0.169973  8.02479      0.930565 7.41024      1.61642  8.32943      1.13808  2.41065  0.335267  2.74532  0.207276  
1 1 1 75 13 5  o 1.44036  0.294522  2.57552      0.819142 1.93886      1.338    2.9572       1.03598  1.11258  0.427067  1.48072  0.354084  
1 1 1 75 13 6  o 1.11555  0.336     1.68247      0.810985 2.66912      1.3338   1.10376      1.0215   1.28237  0.435398  0.924829 0.368403  
1 1 1 75 13 7  o 2.04629  0.212409  4.69896      0.8693   3.77576      1.46704  5.19852      1.07916  1.51754  0.450872  2.10135  0.256778  
1 1 1 75 13 8  o 1.84142  0.264382  4.04249      0.97368  2.17479      1.64969  5.04095      1.20618  1.10878  0.458126  2.0119   0.299762  
1 1 1 75 13 9  o 2.71057  0.17831   8.00441      0.966646 6.50425      1.51369  9.0375       1.25614  2.21422  0.341811  2.81685  0.222969  
1 1 1 75 13 10 o 1.72792  0.275754  3.64801      0.95296  4.03641      1.59686  3.43317      1.18762  1.4943   0.475526  1.52316  0.388545  
1 1 1 75 13 11 o 0.577128 0.277557  -0.677773    0.937592 -0.203502    1.44659  -1.02133     1.23121  0.739461 0.352977  0.623745 0.30409   
1 1 1 75 13 12 o 0.607273 0.285872  -0.27695     0.906069 -0.0262953   1.44971  -0.437626    1.1607   0.739602 0.35312   0.650554 0.311882  
1 1 1 75 13 13 o 0.998332 0.369191  1.70503      0.975738 1.65449      1.59925  1.735        1.23151  0.916438 0.413111  0.960297 0.396227  
1 1 1 75 13 14 o 0.841412 0.345629  1.08282      0.932941 0.273636     1.48717  1.6079       1.19799  0.75497  0.359777  0.934074 0.388438  
1 1 1 75 13 15 o 0.626506 0.294031  -0.0973261   0.941471 1.65791      1.48716  -1.27126     1.21622  0.905348 0.403551  0.577329 0.285425  
1 1 1 75 13 16 o 1.15256  0.409184  2.9048       1.18703  2.8313       1.74287  2.9684       1.62116  0.944437 0.428195  0.99006  0.432646  
1 1 1 75 14 0  o 2.91298  0.239008  9.26112      1.37089  9.26112      1.37089  9.26112      1.37089  2.97988  0.163783  ?        ?         
1 1 1 75 14 1  o 0.72046  0.316664  0.252643     0.878893 0.473713     1.27882  0.054754     1.20992  0.834786 0.373099  0.763483 0.349451  
1 1 1 75 14 2  o 1.60067  0.286485  3.15123      0.883984 3.51608      1.29764  2.83531      1.20751  1.5315   0.413828  1.36855  0.409549  
1 1 1 75 14 3  o 0.56428  0.268285  -0.600003    0.822755 0.0119458    1.25175  -1.06547     1.0917   0.763038 0.351789  0.602413 0.291745  
1 1 1 75 14 4  o 1.4878   0.290838  2.76076      0.83455  3.56232      1.36868  2.28637      1.05293  1.50211  0.432248  1.24442  0.384493  
1 1 1 75 14 5  o 0.564596 0.266087  -0.492761    0.789363 -0.963292    1.266    -0.193491    1.00965  0.657278 0.317594  0.67667  0.313482  
1 1 1 75 14 6  o 0.723531 0.311486  0.372802     0.816359 -0.53536     1.34857  0.898088     1.02563  0.716169 0.341609  0.870002 0.360453  
1 1 1 75 14 7  o 0.512013 0.249577  -1.04472     0.828072 -1.21534     1.3449   -0.940545    1.05089  0.652608 0.3181    0.597788 0.288937  
1 1 1 75 14 8  o 1.54928  0.319976  3.15338      0.957669 3.35302      1.55077  3.03031      1.21758  1.35018  0.468823  1.39181  0.410031  
1 1 1 75 14 9  o 0.739727 0.324361  0.424614     0.917661 0.1049       1.57648  0.58846      1.12857  0.797745 0.375988  0.801359 0.354861  
1 1 1 75 14 10 f 1.21478  0.369421  2.33517      0.977207 2.7          1.64359  2.13569      1.21535  1.10707  0.45734   1.08378  0.409624  
1 1 1 75 14 11 f 1.36704  0.359773  2.87353      0.997084 1.72914      1.52571  3.72665      1.31731  0.945955 0.41649   1.44098  0.427065  
1 1 1 75 14 12 o 0.871749 0.353329  1.22164      0.961458 0.0899681    1.63682  1.81779      1.18801  0.752755 0.36317   0.97846  0.39433   
1 1 1 75 14 13 o 1.43461  0.341106  3.06809      0.965698 2.73187      1.48754  3.313        1.26961  1.10016  0.442129  1.32618  0.424211  
1 1 1 75 14 14 o 0.835672 0.345538  1.09875      0.939566 2.01439      1.45973  0.451076     1.22769  0.958087 0.414535  0.739704 0.34383   
1 1 1 75 14 15 o 0.676802 0.317046  0.353004     1.07617  -0.283688    1.48064  1.06603      1.56689  0.659204 0.324381  0.772262 0.368331  
1 1 1 75 15 0  o 3.00212  0.260531  10.0264      1.53719  10.0264      1.53719  10.0264      1.53719  3.08695  0.177397  ?        ?         
1 1 1 75 15 1  f 1.61462  0.301036  3.29462      0.935924 3.64027      1.4008   3.01589      1.2579   1.50364  0.43879   1.38703  0.4186    
1 1 1 75 15 2  o 1.26723  0.349384  2.23065      0.913572 3.02985      1.39638  1.63257      1.20797  1.34012  0.445496  1.03421  0.403888  
1 1 1 75 15 3  o 1.89956  0.236865  4.16967      0.899879 5.41479      1.35378  3.18402      1.2045   2.03782  0.332165  1.45595  0.401071  
1 1 1 75 15 4  o 2.40675  0.21126   6.5176       1.0169   4.40063      1.53201  8.18495      1.35961  1.63831  0.452769  2.62618  0.258857  
1 1 1 75 15 5  o 1.37364  0.331327  2.54259      0.901051 1.73253      1.43552  3.06923      1.15747  1.03348  0.427206  1.43327  0.392432  
1 1 1 75 15 6  o 0.725706 0.312909  0.398885     0.826298 -0.943576    1.22264  1.5276       1.12108  0.641585 0.310372  1.00331  0.38965   
1 1 1 75 15 7  o 1.00724  0.351982  1.49801      0.875301 0.963518     1.30945  1.92973      1.17686  0.878255 0.386268  1.07696  0.404019  
1 1 1 75 15 8  o 1.24551  0.360273  2.37439      0.948407 1.48814      1.4385   3.05584      1.26138  0.936429 0.408391  1.3141   0.423086  
1 1 1 75 15 9  f 1.22881  0.378976  2.47312      1.02356  3.58817      1.62388  1.73807      1.31845  1.26593  0.474652  0.970968 0.405874  
1 1 1 75 15 10 o 1.40706  0.357454  3.04241      1.00826  1.45111      1.6655   3.96297      1.26676  0.894983 0.409788  1.52707  0.407188  
1 1 1 75 15 11 o 0.58803  0.284418  -0.624534    1.02511  0.497455     1.78118  -1.18022     1.25351  0.792489 0.381479  0.594359 0.29286   
1 1 1 75 15 12 o 0.963695 0.373006  1.61508      1.02556  0.487121     1.77032  2.18482      1.25818  0.800088 0.383957  1.04957  0.411723  
1 1 1 75 15 13 o 0.940577 0.362852  1.56383      0.968801 0.466011     1.53395  2.29231      1.24956  0.7622   0.363748  1.04558  0.410278  
1 1 1 75 15 14 o 0.706161 0.319394  0.652967     0.963959 2.50319      1.51362  -0.609484    1.2503   0.934721 0.412816  0.601537 0.296296  
1 1 1 75 16 0  o 0.470627 0.337079  -1.08047     1.32163  -1.08047     1.32163  -1.08047     1.32163  0.379532 0.273943  ?        ?         
1 1 1 75 16 1  o 0.719767 0.319017  0.269044     0.914856 2.40353      1.33292  -1.63202     1.25793  1.18424  0.432276  0.596267 0.293699  
1 1 1 75 16 2  o 0.631584 0.294994  -0.281709    0.917644 -0.513288    1.30914  -0.0580249   1.28664  0.702983 0.335619  0.747514 0.349205  
1 1 1 75 16 3  o 1.34232  0.353935  2.56257      0.963838 2.78328      1.38958  2.35794      1.33803  1.25123  0.44287   1.16264  0.431856  
1 1 1 75 16 4  o 1.91698  0.29662   4.69086      1.13723  5.42914      1.55935  3.85203      1.66214  1.84355  0.430336  1.38856  0.485057  
1 1 1 75 16 5  o 1.08427  0.382277  1.9173       1.03444  2.62794      1.48709  1.25107      1.43988  1.15111  0.448416  0.912906 0.402979  
1 1 1 75 16 6  o 1.90638  0.257232  4.49679      0.980761 5.15017      1.32101  3.69429      1.464    1.86746  0.366762  1.37851  0.456155  
1 1 1 75 16 7  o 0.945552 0.365727  1.46034      0.985558 1.06086      1.46727  1.78875      1.33035  0.860881 0.391133  0.978689 0.40831   
1 1 1 75 16 8  o 1.11968  0.365445  2.05183      0.939641 2.9164       1.48757  1.47785      1.21206  1.15178  0.448527  0.918779 0.386857  
1 1 1 75 16 9  o 1.21031  0.375455  2.46653      1.00267  1.98309      1.61843  2.76766      1.27732  0.950958 0.422541  1.1733   0.423664  
1 1 1 75 16 10 o 2.00016  0.264291  5.11817      1.05725  6.66443      1.76255  4.24912      1.32137  1.85293  0.473737  1.55678  0.416219  
1 1 1 75 16 11 o 0.949365 0.375446  1.6013       1.05388  -0.0817335   1.70773  2.63653      1.33934  0.744911 0.361995  1.11748  0.427763  
1 1 1 75 16 12 o 0.680578 0.313063  0.30255      0.984606 -0.37642     1.63267  0.690615     1.23432  0.69531  0.341658  0.756992 0.349127  
1 1 1 75 16 13 o 0.558377 0.272459  -0.558029    0.996276 -0.672142    1.62649  -0.489504    1.2604   0.640551 0.318977  0.608259 0.299303  
1 1 1 75 17 0  o 0.601976 0.402293  0.385417     1.28121  0.385417     1.28121  0.385417     1.28121  0.555266 0.359085  ?        ?         
1 1 1 75 17 1  o 0.825603 0.343932  0.91931      0.941742 1.76887      1.36404  0.145518     1.30179  0.983963 0.412163  0.74362  0.348409  
1 1 1 75 17 2  o 0.855836 0.350897  1.05788      0.95981  1.31713      1.29928  0.746457     1.42404  0.905902 0.391511  0.827278 0.378843  
1 1 1 75 17 3  o 0.608846 0.291636  -0.504096    1.00942  -1.00251     1.27465  0.334214     1.6531   0.62591  0.305985  0.7983   0.379898  
1 1 1 75 17 4  o 0.935952 0.373229  1.45098      1.04945  0.815933     1.32652  2.51342      1.71578  0.822044 0.373065  1.04827  0.451435  
1 1 1 75 17 5  o 1.35233  0.411757  3.22757      1.21352  3.78426      1.54152  2.32034      1.96788  1.32973  0.466875  0.986049 0.449325  
1 1 1 75 17 6  o 0.630237 0.296001  -0.157525    0.960545 -0.87088     1.3168   0.653715     1.40424  0.635567 0.310775  0.794419 0.36867   
1 1 1 75 17 7  f 0.876733 0.360792  1.26712      1.01842  3.18452      1.5785   -0.100172    1.33297  1.15343  0.458432  0.699908 0.335225  
1 1 1 75 17 8  o 1.89755  0.295371  4.86209      1.12096  5.20579      1.77871  4.63565      1.44374  1.48519  0.502799  1.57456  0.441034  
1 1 1 75 17 9  o 0.566725 0.276865  -0.924508    1.03895  0.407863     1.66033  -1.78196     1.33195  0.785662 0.375776  0.575689 0.286953  
1 1 1 75 17 10 o 0.827868 0.355419  1.08786      1.05763  1.13362      1.86906  1.0663       1.28276  0.836708 0.399833  0.823023 0.370547  
1 1 1 75 17 11 o 1.03058  0.382927  2.13437      1.05218  0.992771     1.68787  2.85998      1.34564  0.781777 0.375107  1.08322  0.425552  
1 1 1 75 17 12 o 0.5656   0.275472  -0.496019    1.00131  -3.08019     1.65622  0.992672     1.25707  ?        ?         0.751584 0.348801  
1 1 1 75 18 0  o 0.410695 0.302577  -2.26707     1.45238  -2.26707     1.45238  -2.26707     1.45238  0.322144 0.239074  ?        ?         
1 1 1 75 18 1  o 0.707896 0.329962  0.178367     1.1407   1.09692      1.55714  -0.885462    1.67576  0.853186 0.392975  0.693901 0.341773  
1 1 1 75 18 2  o 0.725514 0.33067   0.391532     1.06693  0.632894     1.37449  0.025621     1.69237  0.788744 0.365539  0.757701 0.366305  
1 1 1 75 18 3  o 0.812642 0.350469  0.94128      1.03699  0.384236     1.31286  1.86532      1.6909   0.750798 0.351435  0.934881 0.422921  
1 1 1 75 18 4  o 0.769407 0.337813  0.736127     0.998007 -0.279012    1.29865  2.20047      1.55974  0.677257 0.325943  0.986858 0.427762  
1 1 1 75 18 5  o 0.954645 0.376035  1.62782      1.0533   2.06933      1.48006  1.17474      1.49931  0.976708 0.419921  0.850409 0.38914   
1 1 1 75 18 6  o 0.538947 0.265423  -1.20986     1.02635  -0.920146    1.43867  -1.51013     1.46463  0.651191 0.320216  0.617279 0.306733  
1 1 1 75 18 7  o 0.811676 0.352495  0.930654     1.06293  -0.126296    1.48122  2.05278      1.5262   0.719985 0.346896  0.975897 0.423077  
1 1 1 75 18 8  o 0.838738 0.357133  1.13395      1.05252  1.12871      1.57628  1.13816      1.41389  0.835597 0.388864  0.835958 0.380913  
1 1 1 75 18 9  o 0.703604 0.325566  0.415079     1.08476  0.69187      1.76409  0.246782     1.37557  0.772764 0.373655  0.712232 0.340986  
1 1 1 75 18 10 o 0.836354 0.360764  1.46095      1.09921  1.2323       1.64316  1.64616      1.47884  0.771549 0.370177  0.819584 0.379575  
1 1 1 75 19 0  o 0.57163  0.403952  -0.289088    1.72862  -0.289088    1.72862  -0.289088    1.72862  0.502657 0.350831  ?        ?         
1 1 1 75 19 1  o 1.3101   0.439326  3.44008      1.35797  5.67963      2.07863  1.7725       1.79366  1.41033  0.534921  0.91734  0.422212  
1 1 1 75 19 2  o 0.742096 0.339796  0.456414     1.14525  1.21992      1.6896   -0.192528    1.55768  0.861993 0.401708  0.723372 0.350005  
1 1 1 75 19 3  o 0.569383 0.278084  -0.91449     1.04614  -0.633348    1.44053  -1.22823     1.52174  0.674077 0.328682  0.646312 0.319466  
1 1 1 75 19 4  o 1.71969  0.311835  4.11346      1.03304  3.30936      1.34491  5.27054      1.61333  1.28407  0.437208  1.62247  0.470078  
1 1 1 75 19 5  o 0.753158 0.338764  0.629459     1.06955  -0.942426    1.46118  2.44371      1.56979  0.648253 0.319291  1.01576  0.434439  
1 1 1 75 19 6  o 0.589976 0.287825  -0.75772     1.10998  -0.152183    1.63443  -1.27606     1.51218  0.719112 0.350544  0.628949 0.312414  
1 1 1 75 19 7  o 0.925599 0.37467   1.70116      1.07915  1.31107      1.50596  2.1129       1.54718  0.822126 0.381628  0.917765 0.410279  
1 1 1 75 19 8  o 1.24998  0.412893  3.37568      1.19948  1.64486      1.7523   4.90174      1.64538  0.804367 0.385039  1.29378  0.479228  
1 1 1 75 20 0  o 0.560391 0.391789  -0.0728498   1.53742  -0.0728498   1.53742  -0.0728498   1.53742  0.498187 0.344223  ?        ?         
1 1 1 75 20 1  o 0.936615 0.385226  1.69678      1.16042  2.702        1.7553   0.916383     1.5466   1.00329  0.443639  0.805151 0.37769   
1 1 1 75 20 2  o 0.88688  0.374736  1.46026      1.14388  1.50286      1.69325  1.4245       1.55141  0.861557 0.401751  0.857318 0.393779  
1 1 1 75 20 3  o 0.728596 0.33709   0.522705     1.16248  0.857693     1.7265   0.244888     1.57229  0.790724 0.379394  0.731899 0.3537    
1 1 1 75 20 4  o 0.56917  0.278678  -0.760148    1.06812  -0.452471    1.52337  -1.05768     1.49806  0.664593 0.32736   0.623163 0.309733  
1 1 1 75 20 5  o 0.549762 0.273184  -1.16824     1.16181  -2.51149     1.78318  -0.177429    1.53148  0.582872 0.296178  0.669078 0.329454  
1 1 1 75 20 6  o 0.798061 0.358002  1.28472      1.18707  -0.381828    1.86352  2.42273      1.53992  0.675148 0.336933  0.907239 0.407346  
1 1 1 75 21 0  o 1.10984  0.573698  3.5436       1.62053  3.5436       1.62053  3.5436       1.62053  1.46209  0.449224  ?        ?         
1 1 1 75 21 1  o 0.872222 0.370339  1.67432      1.12611  1.38138      1.58735  1.97114      1.59784  0.785886 0.373172  0.844979 0.392567  
1 1 1 75 21 2  f 0.640062 0.305648  0.0965988    1.08734  0.578093     1.54197  -0.379623    1.53351  0.715913 0.346715  0.648321 0.320517  
1 1 1 76 0  0  f 3.47005  0.204632  12.4099      1.40886  12.4099      1.40886  12.4099      1.40886  3.49678  0.142991  ?        ?         
1 1 1 76 0  1  o 0.578089 0.369734  0.215041     0.925758 0.215041     0.925758 0.215041     0.925758 0.508206 0.318663  ?        ?         
1 1 1 76 0  2  o 0.39652  0.283101  -1.01828     0.911866 -1.01828     0.911866 -1.01828     0.911866 0.305011 0.220847  ?        ?         
1 1 1 76 0  3  o 5.78854  0.121233  33.8022      1.40214  33.8022      1.40214  33.8022      1.40214  5.80135  0.0854927 ?        ?         
1 1 1 76 0  4  o 2.6408   0.179303  7.18457      0.936984 7.18457      0.936984 7.18457      0.936984 2.66093  0.125126  ?        ?         
1 1 1 76 0  5  o 0.904605 0.431524  1.31171      0.887016 1.31171      0.887016 1.31171      0.887016 0.974045 0.352052  ?        ?         
1 1 1 76 0  6  o 4.35426  0.140131  19.2262      1.21747  19.2262      1.21747  19.2262      1.21747  4.36951  0.0986237 ?        ?         
1 1 1 76 0  7  o 1.9196   0.238     3.96487      0.882059 3.96487      0.882059 3.96487      0.882059 1.95712  0.161893  ?        ?         
1 1 1 76 0  8  o 0.456326 0.313805  -0.407604    0.885713 -0.407604    0.885713 -0.407604    0.885713 0.36884  0.2563    ?        ?         
1 1 1 76 0  9  o 1.91484  0.244853  3.96936      0.903289 3.96936      0.903289 3.96936      0.903289 1.95559  0.166062  ?        ?         
1 1 1 76 0  10 o 2.4864   0.188161  6.42297      0.923364 6.42297      0.923364 6.42297      0.923364 2.51076  0.130835  ?        ?         
1 1 1 76 0  11 f 0.502395 0.334876  -0.078354    0.874143 -0.078354    0.874143 -0.078354    0.874143 0.423102 0.281916  ?        ?         
1 1 1 76 0  12 o 5.50092  0.141293  30.7524      1.55216  30.7524      1.55216  30.7524      1.55216  5.5233   0.0994285 ?        ?         
1 1 1 76 0  13 o 2.53299  0.217954  6.78611      1.08534  6.78611      1.08534  6.78611      1.08534  2.5698   0.150503  ?        ?         
1 1 1 76 0  14 o 1.89037  0.405798  4.41274      1.34599  4.41274      1.34599  4.41274      1.34599  2.01053  0.244905  ?        ?         
1 1 1 76 0  15 o 1.3521   0.455523  2.63559      1.09811  2.63559      1.09811  2.63559      1.09811  1.50362  0.289539  ?        ?         
1 1 1 76 0  16 o 1.47747  0.464578  3.08868      1.20197  3.08868      1.20197  3.08868      1.20197  1.63787  0.285424  ?        ?         
1 1 1 76 0  17 o 1.06637  0.521261  2.13726      1.30272  2.13726      1.30272  2.13726      1.30272  1.20735  0.422261  ?        ?         
1 1 1 76 0  18 o 0.467055 0.330638  -0.816886    1.17204  -0.816886    1.17204  -0.816886    1.17204  0.377136 0.269402  ?        ?         
1 1 1 76 0  19 o 0.55817  0.393349  -0.700251    1.61189  -0.700251    1.61189  -0.700251    1.61189  0.467616 0.329892  ?        ?         
1 1 1 76 0  20 o 1.02784  0.539806  2.30118      1.451    2.30118      1.451    2.30118      1.451    1.18734  0.457846  ?        ?         
1 1 1 76 0  21 o 0.614392 0.425501  0.141522     1.67663  0.141522     1.67663  0.141522     1.67663  0.556092 0.37614   ?        ?         
1 1 1 76 0  22 o 0.780494 0.483496  1.55708      1.46045  1.55708      1.46045  1.55708      1.46045  0.841695 0.451623  ?        ?         
1 1 1 76 0  23 o 0.459779 0.332512  -1.1798      1.41175  -1.1798      1.41175  -1.1798      1.41175  0.376951 0.272962  ?        ?         
1 1 1 76 0  24 o 0.553022 0.387863  0.153937     1.53078  0.153937     1.53078  0.153937     1.53078  0.505855 0.347603  ?        ?         
1 1 1 76 1  0  o 1.09359  0.426304  1.74497      0.885779 1.74497      0.885779 1.74497      0.885779 1.20276  0.30136   ?        ?         
1 1 1 76 1  1  o 1.16968  0.276467  1.5331       0.637325 1.80339      0.88598  1.24324      0.917471 1.24337  0.344593  1.05591  0.361108  
1 1 1 76 1  2  o 1.78882  0.179523  3.31217      0.642267 3.1246       0.886631 3.51926      0.931644 1.70597  0.259862  1.81181  0.257103  
1 1 1 76 1  3  o 3.66794  0.101793  13.6083      0.746742 13.8071      1.06819  13.4183      1.04432  3.67285  0.145417  3.62147  0.144185  
1 1 1 76 1  4  o 2.55477  0.130012  6.65192      0.6643   6.15212      0.973135 7.08807      0.90906  2.42539  0.200614  2.61779  0.173631  
1 1 1 76 1  5  o 0.840356 0.297943  0.720218     0.62916  0.655628     0.908716 0.779688     0.871955 0.881626 0.348639  0.906788 0.345717  
1 1 1 76 1  6  o 1.01667  0.288943  1.17214      0.615305 1.40684      0.900306 0.966435     0.842876 1.1001   0.357714  0.955594 0.344244  
1 1 1 76 1  7  o 1.55039  0.197902  2.51891      0.613651 1.94648      0.917434 2.98237      0.825495 1.27954  0.348954  1.66574  0.247786  
1 1 1 76 1  8  o 1.32244  0.254761  1.93942      0.649764 2.33922      0.94681  1.5835       0.89333  1.40699  0.339802  1.15515  0.353598  
1 1 1 76 1  9  o 0.671684 0.279996  0.206863     0.624793 -0.139686    0.863239 0.588134     0.905452 0.687779 0.30699   0.8573   0.344771  
1 1 1 76 1  10 o 0.678697 0.280627  0.244775     0.619705 0.570057     0.872901 -0.0857686   0.879932 0.841906 0.338543  0.70172  0.311709  
1 1 1 76 1  11 o 0.563694 0.257642  -0.315232    0.655093 -0.887001    0.89215  0.353751     0.965017 0.583137 0.278082  0.811597 0.343623  
1 1 1 76 1  12 o 2.61923  0.145845  7.08613      0.764005 6.94078      1.06279  7.24157      1.09906  2.5502   0.208373  2.60268  0.21114   
1 1 1 76 1  13 o 1.79551  0.210142  3.46237      0.754622 4.43254      1.10035  2.60093      1.03686  1.9803   0.277826  1.43717  0.36093   
1 1 1 76 1  14 o 1.80938  0.223469  3.57279      0.808678 4.54519      1.14638  2.60964      1.14092  1.98607  0.288606  1.40003  0.392035  
1 1 1 76 1  15 o 0.720891 0.306299  0.279        0.771287 0.80448      1.10924  -0.212879    1.07319  0.910831 0.375959  0.722987 0.330163  
1 1 1 76 1  16 o 1.09167  0.33436   1.52012      0.798613 0.354422     1.15002  2.60584      1.10987  0.823303 0.362045  1.38423  0.386354  
1 1 1 76 1  17 o 0.673466 0.308648  -0.175213    0.947283 0.616751     1.58789  -0.612801    1.18032  0.909405 0.410698  0.683163 0.323162  
1 1 1 76 1  18 o 1.16224  0.384204  1.99923      1.03858  3.9548       1.50326  0.21335      1.43656  1.55563  0.454746  0.81959  0.377483  
1 1 1 76 1  19 o 1.01408  0.386917  1.5332       1.09285  0.239867     1.44286  3.27363      1.67377  0.815165 0.376532  1.30853  0.483614  
1 1 1 76 1  20 o 0.662719 0.31171   -0.26484     1.07285  -0.0932664   1.4169   -0.495384    1.64244  0.749052 0.354207  0.746781 0.360997  
1 1 1 76 1  21 o 0.703367 0.327834  0.143971     1.12584  -0.525655    1.67085  0.700815     1.52366  0.719104 0.35126   0.810857 0.379269  
1 1 1 76 1  22 o 1.09082  0.379468  2.08078      1.01637  1.16293      1.4328   3.01041      1.44196  0.853832 0.387552  1.17302  0.445351  
1 1 1 76 1  23 o 0.740533 0.335172  0.712851     1.06337  1.34455      1.5368   0.132595     1.47289  0.824066 0.383678  0.705474 0.341172  
1 1 1 76 2  0  o 0.65562  0.395919  0.5645       0.92844  0.5645       0.92844  0.5645       0.92844  0.61479  0.349123  ?        ?         
1 1 1 76 2  1  o 2.24029  0.146464  5.14383      0.656241 5.83744      0.916743 4.41485      0.939818 2.36502  0.193813  2.03918  0.23044   
1 1 1 76 2  2  o 0.624505 0.271005  0.0075734    0.627381 0.440772     0.874405 -0.45205     0.90068  0.818816 0.335187  0.65409  0.300267  
1 1 1 76 2  3  o 1.07464  0.281072  1.30813      0.610959 2.00734      0.890587 0.686527     0.839708 1.30696  0.338201  0.872675 0.337573  
1 1 1 76 2  4  o 3.37448  0.104318  11.5366      0.70404  10.6746      0.993667 12.4057      0.997671 3.2215   0.154224  3.47948  0.143365  
1 1 1 76 2  5  o 3.46903  0.103039  12.1905      0.714889 12.5003      1.06007  11.9322      0.968182 3.48678  0.152012  3.41268  0.141851  
1 1 1 76 2  6  o 0.809615 0.295617  0.644582     0.623407 1.23479      0.91142  0.125689     0.854582 1.04225  0.359652  0.738286 0.318275  
1 1 1 76 2  7  o 3.08894  0.111151  9.69005      0.686675 9.39736      1.04143  9.91516      0.913339 3.00909  0.173048  3.10669  0.146995  
1 1 1 76 2  8  o 0.811609 0.294434  0.659902     0.617556 0.433087     0.948438 0.826843     0.813681 0.830821 0.345568  0.902403 0.336455  
1 1 1 76 2  9  o 3.78397  0.104774  14.5328      0.792922 16.2084      1.10492  12.7536      1.13856  3.97375  0.139027  3.50855  0.162255  
1 1 1 76 2  10 o 0.695977 0.291565  0.235774     0.682724 -1.00765     0.929996 1.68913      1.00545  0.58409  0.279814  1.1688   0.377875  
1 1 1 76 2  11 o 0.638571 0.282178  -0.0427327   0.708527 -0.468871    0.983495 0.417074     1.02161  0.670116 0.310042  0.833168 0.353195  
1 1 1 76 2  12 o 0.565974 0.263886  -0.47455     0.730251 -0.0811742   1.02841  -0.874609    1.03711  0.738367 0.332144  0.632832 0.301037  
1 1 1 76 2  13 o 1.2066   0.319387  1.7872       0.782945 1.91849      1.12559  1.66413      1.08978  1.19614  0.399974  1.12652  0.392833  
1 1 1 76 2  14 o 0.796137 0.316949  0.587942     0.755667 1.06349      1.1147   0.183561     1.02792  0.96932  0.385246  0.774676 0.341414  
1 1 1 76 2  15 o 0.83316  0.323576  0.723508     0.773118 -0.13968     1.13991  1.45878      1.05207  0.747478 0.340979  1.05741  0.384233  
1 1 1 76 2  16 o 2.56272  0.187713  7.09952      0.962113 7.35226      1.49929  6.92257      1.25447  2.46201  0.304484  2.45335  0.255666  
1 1 1 76 2  17 o 0.641091 0.296592  -0.250725    0.899811 0.957066     1.49622  -0.935049    1.12624  0.931485 0.411034  0.627478 0.302364  
1 1 1 76 2  18 o 0.99849  0.378152  1.44203      1.03751  2.28245      1.52054  0.709876     1.41922  1.14128  0.451089  0.87553  0.392132  
1 1 1 76 2  19 o 0.868724 0.367601  0.927273     1.10337  -0.93081     1.49313  3.16254      1.63768  0.701443 0.340123  1.27221  0.476732  
1 1 1 76 2  20 o 0.676361 0.317418  -0.0769755   1.09682  0.753276     1.48228  -1.08166     1.63058  0.825953 0.381563  0.68481  0.337297  
1 1 1 76 2  21 o 0.79919  0.357297  0.870093     1.17357  1.37111      1.80728  0.504793     1.5432   0.868024 0.407381  0.777551 0.368614  
1 1 1 76 2  22 o 0.747939 0.335476  0.626469     1.04211  1.42062      1.52552  -0.0683532   1.42693  0.871057 0.396573  0.708569 0.341171  
1 1 1 76 2  23 o 0.677125 0.315581  0.445898     1.04303  1.79178      1.52259  -0.744153    1.43173  0.832472 0.385392  0.613952 0.304831  
1 1 1 76 3  0  o 1.05708  0.443007  1.71213      0.934681 1.71213      0.934681 1.71213      0.934681 1.16646  0.327645  ?        ?         
1 1 1 76 3  1  o 2.04905  0.162003  4.33364      0.663904 4.11113      0.922202 4.57304      0.956545 1.96252  0.234954  2.07212  0.230813  
1 1 1 76 3  2  o 1.44708  0.2156    2.21374      0.623981 1.50457      0.888258 2.90464      0.876738 1.1299   0.353966  1.63368  0.268332  
1 1 1 76 3  3  o 0.872124 0.290611  0.824889     0.594211 0.851606     0.855356 0.79997      0.82609  0.920669 0.344627  0.900317 0.338349  
1 1 1 76 3  4  o 1.85455  0.162784  3.55302      0.603781 3.36869      0.861978 3.73058      0.845996 1.7711   0.243345  1.87275  0.22587   
1 1 1 76 3  5  o 1.2641   0.245221  1.76536      0.597841 1.52425      0.865891 1.98499      0.826436 1.13483  0.348278  1.30385  0.319084  
1 1 1 76 3  6  o 0.566456 0.254615  -0.186111    0.603163 -0.464847    0.859777 0.0840092    0.846384 0.631607 0.291331  0.724555 0.314602  
1 1 1 76 3  7  o 1.48418  0.214516  2.33827      0.636763 1.86754      0.910911 2.78812      0.890474 1.24424  0.350907  1.56235  0.295732  
1 1 1 76 3  8  o 0.658424 0.27891   0.152226     0.636285 1.29567      0.910991 -0.93691     0.889095 1.05071  0.359831  0.576868 0.275689  
1 1 1 76 3  9  o 1.85082  0.187543  3.60482      0.694218 3.65392      0.905632 3.53486      1.08104  1.83042  0.247384  1.73318  0.323884  
1 1 1 76 3  10 o 0.919869 0.310956  0.964623     0.680323 0.932598     0.920514 1.00317      1.00994  0.934113 0.355482  0.963587 0.370735  
1 1 1 76 3  11 o 1.60628  0.231319  2.81256      0.743127 3.57879      1.02081  1.94868      1.08391  1.77117  0.288173  1.2211   0.392099  
1 1 1 76 3  12 o 2.54069  0.159738  6.75508      0.811687 7.0204       1.12577  6.46783      1.17139  2.53828  0.221758  2.41713  0.242309  
1 1 1 76 3  13 o 1.34081  0.290028  2.13864      0.755737 1.0369       1.05472  3.3011       1.0834   0.957422 0.376555  1.62737  0.343538  
1 1 1 76 3  14 o 1.80682  0.229548  3.60145      0.829504 4.70004      1.31282  2.87139      1.0702   1.9325   0.352758  1.48965  0.362208  
1 1 1 76 3  15 o 1.00537  0.362682  1.32557      0.935871 3.6398       1.62267  0.172072     1.14561  1.49109  0.479845  0.782454 0.35133   
1 1 1 76 3  16 o 1.05364  0.355084  1.52589      0.887115 1.37701      1.39491  1.62701      1.14953  0.999126 0.41755   1.05687  0.398694  
1 1 1 76 3  17 o 0.603023 0.284914  -0.531529    0.915017 -0.584798    1.49064  -0.499321    1.15909  0.742073 0.355198  0.677304 0.32032   
1 1 1 76 3  18 f 1.45737  0.371703  3.05382      1.08703  3.97348      1.64756  2.34486      1.44657  1.46516  0.483907  1.15148  0.443557  
1 1 1 76 3  19 o 1.22154  0.38683   2.45768      1.05767  -0.439424    1.5177   5.19313      1.47475  0.720291 0.347989  1.77979  0.420479  
1 1 1 76 3  20 o 0.7144   0.330159  0.270081     1.1112   0.0629654    1.70201  0.423949     1.467    0.761428 0.367975  0.772654 0.363733  
1 1 1 76 3  21 o 0.772135 0.348076  0.660203     1.13547  2.01043      1.60323  -0.698712    1.60838  0.964975 0.425689  0.695168 0.34079   
1 1 1 76 3  22 o 0.698918 0.324414  0.452688     1.08803  0.46621      1.50986  0.43808      1.56928  0.728825 0.350929  0.729414 0.352647  
1 1 1 76 4  0  o 3.51489  0.153629  12.6079      1.07529  12.6079      1.07529  12.6079      1.07529  3.5329   0.107836  ?        ?         
1 1 1 76 4  1  o 1.67324  0.198805  2.93996      0.665299 1.58723      0.922593 4.40549      0.960287 1.15327  0.360633  2.02789  0.23677   
1 1 1 76 4  2  o 1.12772  0.275205  1.44427      0.616096 1.75052      0.91185  1.18703      0.835703 1.20881  0.35443   1.02007  0.344641  
1 1 1 76 4  3  o 2.00993  0.156166  4.16705      0.627765 3.80015      0.89862  4.51678      0.87735  1.88109  0.238857  2.06576  0.212355  
1 1 1 76 4  4  f 1.68406  0.176416  2.95193      0.594189 3.03508      0.856452 2.87477      0.825048 1.67133  0.256219  1.62801  0.253391  
1 1 1 76 4  5  o 2.24141  0.137971  5.15222      0.618499 5.67818      0.888977 4.65876      0.86107  2.32635  0.191067  2.09975  0.205041  
1 1 1 76 4  6  o 0.892208 0.299275  0.881399     0.630171 1.19631      0.88119  0.551765     0.901553 1.01878  0.353436  0.841847 0.341771  
1 1 1 76 4  7  o 0.698608 0.287982  0.28813      0.649949 0.577543     0.905718 -0.0191351   0.933232 0.846291 0.342966  0.728801 0.322717  
1 1 1 76 4  8  o 4.0146   0.110525  16.4172      0.887425 18.2344      1.32413  14.9354      1.19569  4.19133  0.157961  3.79359  0.157594  
1 1 1 76 4  9  o 1.62961  0.22403   2.8689       0.730162 3.30275      0.976161 2.31786      1.10013  1.68259  0.300945  1.33977  0.388179  
1 1 1 76 4  10 o 0.821281 0.307258  0.696725     0.679737 -0.214325    0.908901 1.85297      1.02393  0.676774 0.307581  1.19628  0.380792  
1 1 1 76 4  11 o 2.00046  0.186104  4.2552       0.744587 5.00447      1.04616  3.48598      1.05999  2.12234  0.246463  1.69598  0.32409   
1 1 1 76 4  12 o 0.760077 0.307938  0.478888     0.729869 0.883832     1.02202  0.0574073    1.04267  0.917367 0.367384  0.756819 0.337609  
1 1 1 76 4  13 o 1.48972  0.282263  2.61386      0.810455 4.25878      1.25739  1.44478      1.06003  1.83568  0.355161  1.05661  0.385513  
1 1 1 76 4  14 o 1.01449  0.344041  1.33229      0.832794 0.921215     1.36084  1.57842      1.053    0.941097 0.403564  1.07388  0.384974  
1 1 1 76 4  15 o 1.37631  0.332427  2.47851      0.906083 3.34043      1.44351  1.91813      1.16394  1.44165  0.451156  1.13349  0.404906  
1 1 1 76 4  16 o 0.599525 0.279827  -0.337923    0.823903 -1.21782     1.34134  0.195187     1.04408  0.655593 0.319219  0.743505 0.334548  
1 1 1 76 4  17 o 0.639185 0.30386   -0.558747    1.05512  -0.951944    1.54159  -0.212216    1.44722  0.715578 0.346573  0.764907 0.360433  
1 1 1 76 4  18 o 1.48939  0.357205  3.20778      1.05192  3.73637      1.54686  2.75304      1.43474  1.3949   0.468886  1.20337  0.447149  
1 1 1 76 4  19 o 0.609012 0.292749  -0.535383    1.03988  -1.44728     1.46448  0.391964     1.47683  0.627802 0.311061  0.778017 0.365876  
1 1 1 76 4  20 o 0.993161 0.383676  1.80442      1.08399  -0.443842    1.68921  3.37841      1.41338  0.718133 0.351343  1.26334  0.446699  
1 1 1 76 4  21 o 0.848026 0.36209   1.21807      1.08725  1.67207      1.56798  0.797621     1.50893  0.89116  0.404741  0.791463 0.371592  
1 1 1 76 5  0  o 0.565529 0.368558  0.126278     0.978913 0.126278     0.978913 0.126278     0.978913 0.491238 0.316352  ?        ?         
1 1 1 76 5  1  o 2.98575  0.121546  9.09233      0.725814 7.17162      1.13425  10.4242      0.944512 2.59534  0.218517  3.18151  0.148438  
1 1 1 76 5  2  o 1.18216  0.275531  1.59348      0.640012 3.42201      0.949598 0.0715134    0.866347 1.76458  0.269071  0.726519 0.316889  
1 1 1 76 5  3  o 2.33004  0.135279  5.56675      0.630412 5.45148      0.905675 5.67509      0.878041 2.27305  0.19922   2.3254   0.188793  
1 1 1 76 5  4  o 1.91379  0.166121  3.80609      0.635843 3.60833      0.868972 4.03399      0.932858 1.82769  0.237724  1.9301   0.24166   
1 1 1 76 5  5  f 1.70686  0.193161  3.07264      0.659396 3.58476      0.92487  2.5432       0.940378 1.80902  0.255627  1.46099  0.329649  
1 1 1 76 5  6  o 3.33631  0.116821  11.3614      0.779504 11.3349      1.04164  11.3951      1.17517  3.30522  0.157575  3.29739  0.178196  
1 1 1 76 5  7  o 0.569342 0.260548  -0.313531    0.672296 -0.0924123   0.932021 -0.553383    0.970697 0.710116 0.317918  0.652728 0.3043    
1 1 1 76 5  8  o 2.86054  0.132782  8.42077      0.759654 7.85469      1.04165  9.06389      1.11026  2.72089  0.191417  2.92421  0.189839  
1 1 1 76 5  9  o 3.16708  0.131135  10.3343      0.830628 10.2579      1.12639  10.4254      1.22978  3.11394  0.180862  3.12352  0.196858  
1 1 1 76 5  10 o 1.72782  0.212808  3.23437      0.735387 4.26884      1.03213  2.16778      1.04804  1.94402  0.265464  1.28235  0.381102  
1 1 1 76 5  11 o 1.57887  0.255429  2.80158      0.806579 3.05717      1.26331  2.6257       1.04798  1.49475  0.4103    1.42462  0.365924  
1 1 1 76 5  12 o 1.12891  0.33229   1.60603      0.799986 2.40119      1.22953  1.0223       1.05347  1.30438  0.417484  0.948188 0.375248  
1 1 1 76 5  13 o 0.751349 0.319182  0.382651     0.837255 -0.596925    1.31144  1.0566       1.08779  0.725616 0.342266  0.943053 0.378459  
1 1 1 76 5  14 f 2.0718   0.226864  4.8326       0.94003  2.55363      1.47842  6.37925      1.21793  1.24174  0.455062  2.33984  0.260259  
1 1 1 76 5  15 o 0.92564  0.348333  1.13355      0.876143 1.63639      1.41267  0.819228     1.1169   1.03302  0.424986  0.86674  0.36844   
1 1 1 76 5  16 o 0.944712 0.347566  1.21741      0.86317  3.27664      1.39391  -0.0633472   1.0993   1.4028   0.444067  0.714643 0.329551  
1 1 1 76 5  17 o 0.74135  0.339067  0.163309     1.13672  2.31488      1.70039  -1.57513     1.52844  1.09176  0.45888   0.658802 0.324456  
1 1 1 76 5  18 o 0.815531 0.351149  0.87977      1.03782  0.768374     1.58585  0.963217     1.37256  0.833062 0.388595  0.846068 0.381979  
1 1 1 76 5  19 o 0.651291 0.306923  -0.102613    1.04986  -0.250163    1.48577  0.04452      1.48367  0.705733 0.341533  0.731245 0.351061  
1 1 1 76 5  20 o 0.618936 0.297414  -0.432184    1.07093  -1.25359     1.70491  0.103141     1.37636  0.667968 0.331786  0.72361  0.345147  
1 1 1 76 5  21 o 0.60759  0.29387   -0.253816    1.09406  -1.17846     1.56129  0.638262     1.53355  0.608988 0.304494  0.725332 0.350318  
1 1 1 76 6  0  o 2.1389   0.24651   4.94741      1.02268  4.94741      1.02268  4.94741      1.02268  2.18344  0.16788   ?        ?         
1 1 1 76 6  1  o 1.7021   0.190193  3.05226      0.647457 3.11331      0.947352 2.99876      0.886917 1.64222  0.299541  1.64593  0.269428  
1 1 1 76 6  2  o 0.880578 0.304569  0.855046     0.653942 0.468437     0.933295 1.22791      0.916559 0.826062 0.343144  1.02409  0.359961  
1 1 1 76 6  3  o 0.535628 0.246824  -0.35365     0.61523  -1.19767     0.850286 0.573744     0.891294 0.528652 0.256441  0.838953 0.340129  
1 1 1 76 6  4  o 2.7661   0.126319  7.84006      0.698823 8.36782      0.968284 7.26632      1.00958  2.82934  0.171115  2.62146  0.19256   
1 1 1 76 6  5  o 1.76667  0.187484  3.29514      0.662446 3.07741      0.919555 3.53005      0.955137 1.63017  0.292671  1.77939  0.268388  
1 1 1 76 6  6  o 0.495526 0.236632  -0.703818    0.651799 -0.180151    0.893461 -1.29958     0.952981 0.679163 0.307322  0.557156 0.270649  
1 1 1 76 6  7  f 1.22547  0.283682  1.76302      0.682104 1.61661      0.919046 1.94257      1.01777  1.1309   0.360841  1.22416  0.377975  
1 1 1 76 6  8  o 1.20589  0.28469   1.72104      0.676423 2.38092      0.932237 0.987348     0.982993 1.38153  0.339388  0.941199 0.365     
1 1 1 76 6  9  o 3.51596  0.123946  12.7158      0.871575 11.9503      1.11735  13.9053      1.39289  3.37217  0.165672  3.60636  0.193115  
1 1 1 76 6  10 o 0.585188 0.272767  -0.451069    0.77952  -0.387797    1.21959  -0.494772    1.01359  0.740052 0.343492  0.664515 0.310243  
1 1 1 76 6  11 o 0.962436 0.343213  1.13178      0.835959 0.594438     1.41289  1.4212       1.03694  0.912714 0.40133   1.04775  0.381387  
1 1 1 76 6  12 o 2.11011  0.202884  4.86021      0.856215 4.71026      1.30726  4.97287      1.13307  1.90808  0.355805  2.0637   0.274525  
1 1 1 76 6  13 o 0.485156 0.239816  -1.52476     0.857685 -1.62629     1.39233  -1.46267     1.08879  0.646079 0.316837  0.572227 0.280479  
1 1 1 76 6  14 o 0.963752 0.348933  1.25868      0.866951 2.0707       1.40394  0.758186     1.1022   1.12186  0.435971  0.8545   0.364704  
1 1 1 76 6  15 f 1.08883  0.355755  1.68584      0.890472 2.90229      1.51892  1.04882      1.09917  1.27267  0.461755  0.906544 0.374223  
1 1 1 76 6  16 o 1.40342  0.368185  2.84371      1.04634  2.88835      1.53739  2.80519      1.42813  1.24351  0.462709  1.25326  0.448428  
1 1 1 76 6  17 o 0.579378 0.282746  -0.978252    1.0743   -1.24443     1.52404  -0.715364    1.51459  0.659406 0.324765  0.695262 0.338654  
1 1 1 76 6  18 f 0.530401 0.263062  -1.4258      1.05387  -4.00698     1.53793  0.859197     1.44701  ?        ?         0.818119 0.377583  
1 1 1 76 6  19 o 0.835817 0.363478  1.0501       1.13311  1.55698      1.65795  0.605818     1.5522   0.902337 0.411514  0.796143 0.374603  
1 1 1 76 6  20 o 0.610738 0.294183  -0.330021    1.06355  -1.37961     1.47358  0.811189     1.53655  0.604545 0.301404  0.772307 0.366928  
1 1 1 76 7  0  o 3.71003  0.159209  14.1165      1.17639  14.1165      1.17639  14.1165      1.17639  3.73364  0.111623  ?        ?         
1 1 1 76 7  1  o 0.828899 0.302306  0.721154     0.651772 0.630956     0.87573  0.83316      0.975869 0.845143 0.339404  0.914174 0.36136   
1 1 1 76 7  2  o 1.12564  0.297301  1.49921      0.679346 1.7701       0.894968 1.13092      1.04353  1.19308  0.351554  0.996755 0.378733  
1 1 1 76 7  3  o 0.746479 0.295306  0.472071     0.652186 0.544195     0.912121 0.396626     0.93289  0.829947 0.341475  0.801675 0.338559  
1 1 1 76 7  4  o 2.61663  0.133025  7.05142      0.696154 7.07818      0.966639 7.02258      1.00341  2.58472  0.186991  2.56795  0.195372  
1 1 1 76 7  5  o 1.02276  0.302762  1.251        0.662332 1.23812      0.917086 1.26504      0.957583 1.01049  0.359568  1.01975  0.366964  
1 1 1 76 7  6  f 2.08605  0.16432   4.56494      0.685558 4.95752      0.939479 4.11778      1.00265  2.13454  0.220066  1.9133   0.262022  
1 1 1 76 7  7  o 0.59817  0.268255  -0.116304    0.666076 -0.359358    0.900786 0.176912     0.989383 0.647266 0.298418  0.76495  0.3361    
1 1 1 76 7  8  o 2.42744  0.157038  6.16729      0.762398 6.09896      1.10792  6.22876      1.05074  2.35001  0.235727  2.38962  0.219855  
1 1 1 76 7  9  o 0.964525 0.330751  1.1316       0.76979  2.12421      1.23574  0.502154     0.984046 1.23002  0.419088  0.822629 0.347579  
1 1 1 76 7  10 o 2.07607  0.206429  4.68665      0.857123 4.67399      1.26484  4.6974       1.16555  1.9627   0.322219  1.99989  0.291403  
1 1 1 76 7  11 o 1.21057  0.333631  1.90346      0.833248 1.83569      1.37953  1.94238      1.04551  1.11285  0.432227  1.17639  0.385483  
1 1 1 76 7  12 o 0.843099 0.335751  0.798513     0.848231 -0.292449    1.40326  1.42665      1.06478  0.766175 0.359471  1.0144   0.383409  
1 1 1 76 7  13 f 1.27294  0.336255  2.18162      0.868949 1.77005      1.37092  2.45801      1.12345  1.06223  0.425456  1.2786   0.397587  
1 1 1 76 7  14 o 0.685646 0.305119  0.146876     0.84704  -1.79046     1.40223  1.25995      1.06287  0.626255 0.308856  0.953045 0.376999  
1 1 1 76 7  15 o 0.766853 0.327455  0.53552      0.889317 0.200625     1.45008  0.73742      1.12592  0.805174 0.374037  0.839139 0.363581  
1 1 1 76 7  16 o 0.794499 0.345945  0.738396     1.02886  -0.6479      1.55182  1.82574      1.37435  0.708848 0.344661  0.994459 0.414956  
1 1 1 76 7  17 o 0.618074 0.297531  -0.523377    1.08374  -2.40428     1.54616  1.29316      1.51947  0.587453 0.295592  0.878105 0.398711  
1 1 1 76 7  18 o 0.590451 0.288006  -0.840062    1.10957  -1.46161     1.56979  -0.219502    1.56855  0.638255 0.317211  0.721204 0.349362  
1 1 1 76 7  19 o 0.679277 0.319496  0.0921387    1.12707  0.806827     1.60569  -0.601957    1.58239  0.796203 0.37677   0.681541 0.335362  
1 1 1 76 7  20 o 0.831793 0.358813  1.42801      1.08744  2.23393      1.53673  0.619689     1.53902  0.883458 0.401096  0.719161 0.347956  
1 1 1 76 8  0  o 0.670669 0.40388   0.674292     0.960087 0.674292     0.960087 0.674292     0.960087 0.644447 0.359214  ?        ?         
1 1 1 76 8  1  o 2.02289  0.185797  4.34317      0.751696 4.83116      1.02056  3.7645       1.11135  2.08966  0.244194  1.76422  0.327241  
1 1 1 76 8  2  o 1.85597  0.197758  3.68696      0.734069 4.21241      0.99487  3.05903      1.08757  1.94063  0.256327  1.55816  0.356545  
1 1 1 76 8  3  o 2.30929  0.15727   5.57267      0.726365 5.61826      0.950639 5.50873      1.12594  2.28187  0.208303  2.22075  0.253504  
1 1 1 76 8  4  o 1.33416  0.258791  2.04442      0.665891 3.2307       0.926929 0.779324     0.957225 1.68422  0.275181  0.88545  0.355154  
1 1 1 76 8  5  o 3.02507  0.125438  9.4191       0.758916 9.3459       1.05497  9.49761      1.09256  2.97158  0.177509  2.99075  0.182657  
1 1 1 76 8  6  o 2.26134  0.154686  5.3451       0.699595 4.64044      0.943761 6.20461      1.04232  2.05479  0.229649  2.38629  0.218397  
1 1 1 76 8  7  o 1.56643  0.241291  2.72857      0.755931 1.7661       1.08687  3.63042      1.05208  1.14777  0.393033  1.73312  0.315163  
1 1 1 76 8  8  o 1.03652  0.319446  1.33268      0.727426 0.798966     1.07081  1.79004      0.991262 0.898684 0.369912  1.16049  0.375202  
1 1 1 76 8  9  o 1.10335  0.32534   1.5486       0.766218 1.63335      1.22198  1.49369      0.983595 1.0856   0.410614  1.05881  0.372818  
1 1 1 76 8  10 o 0.810232 0.332969  0.63082      0.866226 -0.923662    1.3947   1.60701      1.10524  0.708778 0.340298  1.06982  0.393323  
1 1 1 76 8  11 f 1.49921  0.307934  2.82963      0.89161  1.29369      1.49802  3.67225      1.10954  0.988485 0.423636  1.67312  0.343381  
1 1 1 76 8  12 o 0.668803 0.303628  -0.0143347   0.880392 1.24224      1.49828  -0.677008    1.08805  0.965184 0.418821  0.640116 0.305691  
1 1 1 76 8  13 o 1.27234  0.334712  2.19327      0.863236 2.97241      1.44271  1.75877      1.07737  1.3101   0.452454  1.07931  0.389157  
1 1 1 76 8  14 o 0.854961 0.339498  0.9185       0.86499  1.36655      1.41775  0.652817     1.09173  0.964744 0.41275   0.820197 0.356733  
1 1 1 76 8  15 o 1.70317  0.278858  3.68751      0.949882 2.96972      1.62715  4.05859      1.16992  1.17046  0.465366  1.6652   0.361427  
1 1 1 76 8  16 o 0.746533 0.334948  0.524127     1.03952  1.25217      1.44738  -0.251495    1.49394  0.876537 0.394181  0.71806  0.34656   
1 1 1 76 8  17 o 0.887844 0.371845  1.35208      1.10996  1.4309       1.45993  1.24411      1.70869  0.8843   0.396846  0.859089 0.401754  
1 1 1 76 8  18 f 1.17814  0.411923  2.71383      1.19894  3.87805      1.82991  1.83815      1.58703  1.17629  0.48377   0.922139 0.413795  
1 1 1 76 8  19 o 0.535329 0.265607  -1.05667     1.07737  0.169095     1.48079  -2.43529     1.57041  0.68105  0.332291  0.55023  0.279241  
1 1 1 76 9  0  o 0.743316 0.421539  0.949732     0.95562  0.949732     0.95562  0.949732     0.95562  0.755344 0.374391  ?        ?         
1 1 1 76 9  1  o 0.893216 0.313201  0.924838     0.693545 0.922394     0.973034 0.927362     0.988798 0.921077 0.361864  0.924349 0.364264  
1 1 1 76 9  2  o 1.06961  0.310114  1.39813      0.701905 2.27392      1.02895  0.635904     0.959927 1.31728  0.373416  0.850488 0.350182  
1 1 1 76 9  3  o 3.10784  0.141069  10.023       0.876842 10.6834      1.3136   9.49222      1.1776   3.14179  0.209053  2.97308  0.198044  
1 1 1 76 9  4  o 0.927474 0.316237  1.0241       0.703629 1.43219      0.93609  0.494032     1.06685  1.05959  0.364598  0.839669 0.358604  
1 1 1 76 9  5  f 2.61226  0.155951  7.1452       0.814767 6.15688      1.12114  8.25141      1.18612  2.35555  0.237977  2.75147  0.215542  
1 1 1 76 9  6  o 1.92316  0.191562  3.96745      0.736811 2.41381      1.05723  5.43472      1.02743  1.34505  0.377623  2.21594  0.231826  
1 1 1 76 9  7  o 0.61855  0.279008  -0.113245    0.730653 -0.356835    1.04724  0.117794     1.0199   0.686633 0.318544  0.750546 0.334381  
1 1 1 76 9  8  o 2.46247  0.181182  6.51397      0.892313 5.58924      1.3757   7.18556      1.17239  2.12591  0.323556  2.53153  0.231557  
1 1 1 76 9  9  o 1.25752  0.327293  2.05613      0.831004 1.36396      1.35805  2.47042      1.05067  1.00519  0.415514  1.32816  0.377606  
1 1 1 76 9  10 o 0.541701 0.262479  -1.0095      0.886457 -1.6576      1.51041  -0.668961    1.09485  0.667927 0.328335  0.646572 0.308267  
1 1 1 76 9  11 o 1.11013  0.356104  1.74225      0.894203 2.30925      1.55841  1.46395      1.09182  1.14694  0.455614  1.00467  0.385743  
1 1 1 76 9  12 o 1.0517   0.360561  1.58592      0.914753 2.30108      1.48143  1.14521      1.16294  1.14765  0.447461  0.92872  0.384243  
1 1 1 76 9  13 o 0.584305 0.278065  -0.566758    0.885664 -1.20415     1.5786   -0.273962    1.06992  0.699306 0.341551  0.674466 0.315982  
1 1 1 76 9  14 o 0.559919 0.268501  -0.598466    0.861673 -1.09293     1.42021  -0.310414    1.08398  0.655571 0.321067  0.655089 0.309793  
1 1 1 76 9  15 o 0.628328 0.302535  -0.528815    1.12203  0.0493998    1.56521  -1.14007     1.6093   0.754534 0.361838  0.67224  0.331376  
1 1 1 76 9  16 o 0.708408 0.32561   0.318878     1.06282  -0.236566    1.44556  0.972409     1.56801  0.701174 0.338902  0.826988 0.38601   
1 1 1 76 9  17 o 1.08976  0.39427   2.21382      1.1067   2.5361       1.45641  1.77347      1.70244  1.06145  0.433228  0.915426 0.417353  
1 1 1 76 9  18 o 1.11091  0.410011  2.74137      1.20223  1.01194      1.8205   4.0789       1.601    0.775277 0.375811  1.19892  0.465636  
1 1 1 76 10 0  o 3.54662  0.18478   13.0936      1.30257  13.0936      1.30257  13.0936      1.30257  3.58288  0.128914  ?        ?         
1 1 1 76 10 1  o 0.820888 0.308355  0.720016     0.685965 0.449916     1.00146  0.958751     0.941516 0.814641 0.347663  0.921451 0.357243  
1 1 1 76 10 2  o 1.06509  0.31236   1.39764      0.708153 1.92278      1.03499  0.935409     0.971028 1.19683  0.383033  0.918208 0.361251  
1 1 1 76 10 3  o 1.89377  0.209059  3.90016      0.79182  2.15817      1.29053  4.95187      1.00275  1.22396  0.427423  2.10886  0.237747  
1 1 1 76 10 4  o 1.28842  0.302671  2.032        0.76754  2.07415      1.22974  2.0051       0.982382 1.20299  0.417507  1.22363  0.370057  
1 1 1 76 10 5  o 0.700251 0.306141  0.166542     0.812474 0.705646     1.18838  -0.306612    1.11332  0.885418 0.378321  0.710263 0.329097  
1 1 1 76 10 6  o 1.84077  0.224644  3.77688      0.827033 3.78165      1.13511  3.77149      1.20743  1.71626  0.342823  1.68252  0.368894  
1 1 1 76 10 7  o 1.62854  0.265398  3.09723      0.864425 3.32745      1.20749  2.85522      1.23804  1.53894  0.391313  1.38771  0.414577  
1 1 1 76 10 8  o 0.583995 0.274686  -0.502515    0.833184 -0.19635     1.37297  -0.680992    1.04827  0.768277 0.359576  0.633103 0.301796  
1 1 1 76 10 9  o 2.1358   0.219468  5.14311      0.937482 2.76836      1.62716  6.32307      1.14698  1.23545  0.471906  2.33627  0.245473  
1 1 1 76 10 10 o 1.28193  0.346948  2.26586      0.911198 3.1835       1.528    1.75944      1.13511  1.33958  0.465347  1.07431  0.39802   
1 1 1 76 10 11 o 1.63017  0.270493  3.20348      0.881896 1.54819      1.44446  4.18717      1.11352  1.00409  0.422528  1.79498  0.321841  
1 1 1 76 10 12 o 1.79581  0.253858  3.83899      0.911761 7.12852      1.52878  2.02301      1.13588  2.32641  0.328571  1.12452  0.400166  
1 1 1 76 10 13 o 0.759991 0.328226  0.615038     0.91199  0.392135     1.49919  0.74598      1.14905  0.796203 0.373198  0.8101   0.358484  
1 1 1 76 10 14 o 0.578499 0.277054  -0.501741    0.910048 0.362788     1.50834  -0.996589    1.14116  0.777472 0.366825  0.590719 0.288953  
1 1 1 76 10 15 o 0.831909 0.357975  1.07087      1.07726  2.11251      1.4665   -0.149963    1.58765  0.98351  0.420251  0.724947 0.351271  
1 1 1 76 10 16 o 0.829214 0.35778   1.03587      1.08166  1.08252      1.44427  0.976272     1.63233  0.841275 0.383778  0.832731 0.390158  
1 1 1 76 10 17 o 1.08833  0.402397  2.49889      1.15904  3.04112      1.66033  1.9835       1.61872  1.0228   0.442313  0.88931  0.405855  
1 1 1 76 11 0  o 0.48117  0.333341  -0.403198    1.03028  -0.403198    1.03028  -0.403198    1.03028  0.396833 0.275808  ?        ?         
1 1 1 76 11 1  o 3.67593  0.128069  14.0058      0.941545 13.6698      1.43433  14.2602      1.2481   3.53903  0.202644  3.65968  0.170521  
1 1 1 76 11 2  o 1.34793  0.318163  2.29305      0.844965 3.77304      1.50013  1.60531      1.02261  1.56693  0.453061  1.08021  0.380163  
1 1 1 76 11 3  o 1.22782  0.330494  1.95367      0.829622 1.29219      1.40989  2.30402      1.02606  1.00308  0.419532  1.2918   0.37508   
1 1 1 76 11 4  o 1.32281  0.310441  2.20516      0.808084 0.476452     1.32131  3.23809      1.02136  0.855518 0.380888  1.59012  0.33199   
1 1 1 76 11 5  o 1.33684  0.318926  2.29146      0.842    4.25081      1.37848  1.12536      1.06344  1.72515  0.405851  0.942519 0.375752  
1 1 1 76 11 6  o 2.15822  0.203591  5.14594      0.878791 3.94958      1.45494  5.83308      1.10265  1.59419  0.441511  2.2512   0.244902  
1 1 1 76 11 7  o 1.10873  0.35483   1.71741      0.888192 1.11655      1.37735  2.14512      1.16209  0.94376  0.4054    1.18149  0.406263  
1 1 1 76 11 8  o 2.22263  0.225122  5.62079      1.00072  4.42228      1.49722  6.58856      1.34539  1.67542  0.440834  2.31666  0.290373  
1 1 1 76 11 9  o 1.46301  0.359319  2.98196      1.04514  6.27019      1.72735  1.08298      1.31268  2.0147   0.440798  0.924229 0.396346  
1 1 1 76 11 10 o 0.734171 0.32954   0.229874     1.00716  0.00308622   1.45503  0.438489     1.39552  0.786497 0.368471  0.829946 0.378242  
1 1 1 76 11 11 o 1.06592  0.373824  1.75135      0.98805  2.42219      1.46811  1.19593      1.33586  1.13985  0.445234  0.920323 0.397354  
1 1 1 76 11 12 o 0.884387 0.359822  1.18677      1.00149  2.81242      1.44526  -0.314892    1.38905  1.17553  0.445989  0.709206 0.340287  
1 1 1 76 11 13 o 0.944182 0.372427  1.51084      1.03451  2.56771      1.5189   0.596353     1.41289  1.07846  0.441672  0.792761 0.368632  
1 1 1 76 11 14 o 0.633385 0.30212   -0.262055    1.05478  -0.476772    1.55538  -0.0792332   1.43522  0.696602 0.340001  0.713731 0.34329   
1 1 1 76 11 15 o 1.36408  0.374448  3.02229      1.05216  3.82135      1.47973  2.20515      1.49636  1.34193  0.458598  1.0019   0.426193  
1 1 1 76 11 16 f 0.711516 0.329521  0.459824     1.1145   -0.0497201   1.45309  1.18783      1.73688  0.692204 0.335608  0.811334 0.387164  
1 1 1 76 12 0  o 1.14672  0.515992  2.39882      1.25826  2.39882      1.25826  2.39882      1.25826  1.3266   0.386685  ?        ?         
1 1 1 76 12 1  o 2.98639  0.168064  9.54683      1.00381  7.15976      1.38751  12.1682      1.45402  2.44204  0.284088  3.29463  0.220665  
1 1 1 76 12 2  o 1.19827  0.322437  1.87708      0.78982  2.3496       1.22828  1.54395      1.03131  1.23349  0.41782   1.04421  0.380326  
1 1 1 76 12 3  o 2.66571  0.171909  7.6424       0.916521 7.476        1.48783  7.74415      1.16349  2.46353  0.301971  2.62369  0.221727  
1 1 1 76 12 4  o 1.05113  0.344991  1.51264      0.837399 0.849591     1.4613   1.83684      1.02182  0.910328 0.40337   1.12252  0.38109   
1 1 1 76 12 5  o 0.81095  0.327488  0.725325     0.82175  0.628202     1.38191  0.778457     1.0221   0.865013 0.387194  0.848228 0.35611   
1 1 1 76 12 6  o 1.26543  0.326207  2.13255      0.830609 0.79936      1.3972   2.86123      1.03295  0.888664 0.394014  1.4345   0.360242  
1 1 1 76 12 7  f 0.791583 0.326829  0.650965     0.838641 1.24777      1.49267  0.375675     1.01377  0.959482 0.417217  0.765783 0.338072  
1 1 1 76 12 8  o 1.51012  0.315779  2.96928      0.92282  3.36586      1.52913  2.74211      1.15733  1.37041  0.466191  1.33689  0.401127  
1 1 1 76 12 9  o 0.800547 0.336731  0.67498      0.916766 0.311077     1.47511  0.903994     1.17021  0.820547 0.379666  0.872546 0.374202  
1 1 1 76 12 10 o 1.43377  0.3851    3.17987      1.12793  3.72499      1.62587  2.6741       1.56607  1.35019  0.47893   1.14778  0.456486  
1 1 1 76 12 11 o 1.04264  0.375507  1.81965      1.00287  0.803058     1.46079  2.72595      1.37926  0.831857 0.382093  1.16829  0.437561  
1 1 1 76 12 12 o 1.2201   0.38256   2.51431      1.03726  1.37532      1.48808  3.59071      1.44661  0.88809  0.399514  1.31783  0.453264  
1 1 1 76 12 13 f 0.778116 0.344381  0.763641     1.06094  0.503761     1.59975  0.967689     1.41753  0.783021 0.373145  0.823711 0.37753   
1 1 1 76 12 14 o 0.907578 0.370831  1.42061      1.06827  2.96394      1.50155  -0.161179    1.52014  1.13753  0.448689  0.719245 0.347619  
1 1 1 76 12 15 o 0.592384 0.289947  -0.743442    1.15371  -0.355459    1.67282  -1.09541     1.59328  0.69379  0.341722  0.640019 0.318292  
1 1 1 76 13 0  o 0.591974 0.394075  0.227468     1.20113  0.227468     1.20113  0.227468     1.20113  0.52968  0.34443   ?        ?         
1 1 1 76 13 1  o 0.860044 0.337327  0.909317     0.84451  1.11358      1.21519  0.718511     1.17449  0.928695 0.389019  0.852738 0.370433  
1 1 1 76 13 2  o 1.00501  0.359963  1.42343      0.920439 1.67791      1.31817  1.18129      1.28583  1.04093  0.41708   0.943883 0.39799   
1 1 1 76 13 3  o 1.58509  0.307988  3.20508      0.941531 4.7451       1.44558  2.07045      1.24081  1.78794  0.412382  1.13747  0.416889  
1 1 1 76 13 4  o 1.89436  0.223515  4.08277      0.846837 3.11319      1.4263   4.61066      1.05241  1.35194  0.450242  1.96281  0.268089  
1 1 1 76 13 5  o 0.682807 0.300736  0.203576     0.796058 1.19714      1.34948  -0.326684    0.985858 0.944171 0.403279  0.649646 0.304168  
1 1 1 76 13 6  o 1.04207  0.350127  1.54089      0.862518 1.51         1.60256  1.55348      1.02338  0.993661 0.432194  1.02443  0.378247  
1 1 1 76 13 7  o 1.09575  0.354799  1.73275      0.886148 1.23088      1.59656  1.9562       1.0653   0.947057 0.420384  1.1243   0.388746  
1 1 1 76 13 8  o 1.66274  0.312365  3.65599      1.00052  2.74465      1.58453  4.26029      1.29028  1.17037  0.461149  1.68187  0.390709  
1 1 1 76 13 9  o 2.41974  0.236124  7.02444      1.14272  8.64706      1.76039  5.84285      1.50223  2.43177  0.361956  1.92623  0.402973  
1 1 1 76 13 10 o 1.85617  0.273187  4.40982      1.01416  3.79068      1.71588  4.74224      1.25727  1.26153  0.483804  1.77537  0.366586  
1 1 1 76 13 11 o 0.796853 0.338242  0.874542     0.938931 1.20193      1.55975  0.68848      1.17585  0.860047 0.39495   0.778546 0.352412  
1 1 1 76 13 12 o 0.586229 0.281095  -0.468183    0.943921 -2.0062      1.60978  0.337718     1.16527  0.614932 0.307466  0.727014 0.336793  
1 1 1 76 13 13 o 1.06664  0.374838  1.99757      0.99384  3.71002      1.64044  1.00456      1.24919  1.22821  0.472505  0.822671 0.368189  
1 1 1 76 13 14 o 0.706926 0.325028  0.48063      1.05992  0.322278     1.48537  0.644909     1.51291  0.723889 0.348434  0.754511 0.360356  
1 1 1 76 14 0  o 0.825995 0.48294   1.43222      1.30664  1.43222      1.30664  1.43222      1.30664  0.875477 0.437155  ?        ?         
1 1 1 76 14 1  o 0.679284 0.309387  -0.00765474  0.930524 -0.63044     1.35283  0.551576     1.28195  0.705177 0.33774   0.832387 0.37275   
1 1 1 76 14 2  o 0.620783 0.29107   -0.369081    0.914698 0.696123     1.33252  -1.31828     1.25787  0.858691 0.382395  0.621462 0.303846  
1 1 1 76 14 3  o 0.84268  0.341143  0.856904     0.8948   -0.533776    1.35842  1.92281      1.18926  0.713578 0.340963  1.09665  0.407182  
1 1 1 76 14 4  o 1.80847  0.269549  3.9614       0.974945 2.20867      1.45612  5.38562      1.31258  1.11793  0.441566  2.03477  0.322538  
1 1 1 76 14 5  o 1.58304  0.297785  3.21523      0.908176 3.17075      1.32648  3.25447      1.246    1.36931  0.433165  1.42895  0.412822  
1 1 1 76 14 6  o 0.898033 0.350141  1.15783      0.907114 1.03113      1.43644  1.24187      1.16991  0.885483 0.395599  0.914636 0.382327  
1 1 1 76 14 7  o 0.603679 0.287484  -0.420447    0.948125 -2.74768     1.50492  1.11123      1.22089  0.572146 0.288233  0.872333 0.378293  
1 1 1 76 14 8  o 0.809787 0.341339  0.878152     0.945318 1.78763      1.59941  0.389876     1.17192  0.955347 0.422827  0.749376 0.34338   
1 1 1 76 14 9  o 2.46629  0.210997  7.1318       1.04076  6.17924      1.71917  7.68286      1.30759  1.792    0.472783  2.45624  0.266177  
1 1 1 76 14 10 o 0.555872 0.269484  -0.714788    0.936529 -1.39502     1.60939  -0.366507    1.15159  0.645388 0.320815  0.641879 0.308431  
1 1 1 76 14 11 o 0.708016 0.321231  0.367221     0.98258  -0.00882734  1.62209  0.585183     1.23493  0.745585 0.360132  0.769345 0.352514  
1 1 1 76 14 12 o 1.04251  0.378801  1.96854      1.02252  5.73061      1.82798  0.255323     1.23357  1.54079  0.509714  0.717355 0.33665   
1 1 1 76 14 13 o 0.580076 0.28347   -0.657201    1.09123  -2.4243      1.54795  1.08853      1.53856  0.559452 0.282837  0.787068 0.371097  
1 1 1 76 15 0  o 0.667786 0.434516  0.701798     1.35432  0.701798     1.35432  0.701798     1.35432  0.637435 0.393167  ?        ?         
1 1 1 76 15 1  o 1.17215  0.370326  2.10963      0.96976  0.675761     1.33503  3.71136      1.41101  0.832787 0.376313  1.4562   0.444123  
1 1 1 76 15 2  o 2.08697  0.236238  5.15567      0.986044 5.24935      1.38823  5.06029      1.40081  1.88473  0.381608  1.82539  0.394874  
1 1 1 76 15 3  o 0.715675 0.318274  0.3502       0.920303 1.09236      1.35026  -0.293674    1.25768  0.882898 0.389919  0.69508  0.331055  
1 1 1 76 15 4  o 1.25353  0.377664  2.51932      1.02449  3.28724      1.44511  1.74341      1.4526   1.28752  0.452041  0.971985 0.416884  
1 1 1 76 15 5  o 0.636477 0.300271  -0.261571    1.01019  -1.64154     1.47424  0.959896     1.38699  0.622807 0.30924   0.848534 0.38349   
1 1 1 76 15 6  o 1.45466  0.357988  3.2074       1.03582  2.99639      1.47741  3.41138      1.45263  1.18401  0.45042   1.28813  0.453121  
1 1 1 76 15 7  o 1.15831  0.38549   2.32394      1.04555  2.18897      1.63175  2.41795      1.36183  0.992302 0.433837  1.08001  0.426891  
1 1 1 76 15 8  o 1.74187  0.326932  4.34833      1.09696  3.60948      1.64315  4.94239      1.47338  1.21218  0.471532  1.63322  0.440802  
1 1 1 76 15 9  o 0.49441  0.245914  -1.50758     0.952795 -1.3431      1.59691  -1.59849     1.18728  0.64897  0.322179  0.552224 0.274649  
1 1 1 76 15 10 o 0.845416 0.349128  1.10275      0.957298 1.93498      1.63457  0.668278     1.18104  0.945084 0.42212   0.774051 0.351478  
1 1 1 76 15 11 o 0.989815 0.377903  1.83335      1.04307  0.277936     1.75306  2.6858       1.2978   0.758529 0.368034  1.11458  0.422694  
1 1 1 76 15 12 o 0.545596 0.26623   -0.625306    0.951485 -1.66903     1.57166  -0.0214443   1.19545  0.587674 0.295746  0.64412  0.310662  
1 1 1 76 16 0  o 0.92912  0.511405  2.0637       1.35234  2.0637       1.35234  2.0637       1.35234  1.08061  0.447376  ?        ?         
1 1 1 76 16 1  o 1.72742  0.278832  3.84983      0.963317 3.05953      1.37403  4.61378      1.35093  1.23937  0.440212  1.67641  0.406535  
1 1 1 76 16 2  o 0.673044 0.310982  0.0825373    0.985208 -0.0688202   1.31855  0.273843     1.48238  0.713056 0.339311  0.76832  0.362844  
1 1 1 76 16 3  o 0.872803 0.363928  1.19742      1.05593  1.27902      1.38871  1.08558      1.62577  0.881402 0.391549  0.85917  0.397937  
1 1 1 76 16 4  o 0.93353  0.379019  1.52213      1.10884  1.60601      1.46684  1.41028      1.69382  0.921832 0.406851  0.889671 0.40981   
1 1 1 76 16 5  o 0.600933 0.293578  -0.879622    1.16824  -3.41135     1.72574  1.262        1.58722  0.575071 0.292034  0.866293 0.398068  
1 1 1 76 16 6  o 0.600622 0.28812   -0.436061    0.994375 0.00344422   1.4526   -0.823632    1.36408  0.722895 0.347128  0.642061 0.314499  
1 1 1 76 16 7  o 0.536609 0.264326  -1.21035     1.01921  -2.84683     1.65977  -0.219741    1.29135  0.585575 0.295812  0.683761 0.328083  
1 1 1 76 16 8  o 0.958796 0.372132  1.59824      1.02222  1.69709      1.64143  1.53562      1.30649  0.917983 0.415908  0.913958 0.393764  
1 1 1 76 16 9  o 0.58018  0.281693  -0.687185    1.03009  -0.0869252   1.62852  -1.08752     1.32995  0.727663 0.353578  0.612137 0.301629  
1 1 1 76 16 10 o 0.724033 0.331061  0.595997     1.08288  1.51721      1.8539   0.118924     1.33413  0.831389 0.39751   0.690802 0.331949  
1 1 1 76 16 11 o 0.81457  0.354589  1.32924      1.08037  2.1627       1.79     0.851635     1.35501  0.845137 0.399002  0.735889 0.347345  
1 1 1 76 17 0  o 1.95228  0.463861  5.65063      1.57088  5.65063      1.57088  5.65063      1.57088  2.19625  0.261258  ?        ?         
1 1 1 76 17 1  o 0.90354  0.373548  1.43413      1.09782  -0.0869075   1.51763  3.10367      1.58999  0.721885 0.348625  1.12921  0.455733  
1 1 1 76 17 2  o 0.636206 0.300722  -0.176151    1.02036  -0.624557    1.29943  0.544973     1.64787  0.646473 0.314665  0.788851 0.376597  
1 1 1 76 17 3  o 0.708728 0.324192  0.335554     1.03956  0.192822     1.3116   0.576717     1.70489  0.726344 0.342515  0.79707  0.381125  
1 1 1 76 17 4  o 1.66119  0.368329  4.28721      1.19138  3.10354      1.70444  5.41802      1.66594  1.10732  0.462082  1.61952  0.480322  
1 1 1 76 17 5  o 1.47965  0.386011  3.58339      1.1542   5.81798      1.73795  1.82015      1.54381  1.674    0.488831  0.942049 0.416372  
1 1 1 76 17 6  o 1.64588  0.356478  4.12647      1.14034  3.7854       1.59799  4.48038      1.62779  1.26848  0.471792  1.409    0.480994  
1 1 1 76 17 7  o 0.685188 0.321521  0.125635     1.12411  1.20811      1.61921  -0.881469    1.56182  0.840927 0.392417  0.66334  0.326861  
1 1 1 76 17 8  o 0.651841 0.308584  0.0177252    1.0781   1.31977      1.63096  -0.99271     1.43676  0.823805 0.386695  0.622452 0.308335  
1 1 1 76 17 9  o 0.651801 0.310866  0.172495     1.11586  2.062        1.85434  -0.900101    1.39712  0.831721 0.397642  0.600161 0.298413  
1 1 1 76 18 0  o 0.464994 0.339949  -1.83221     1.6628   -1.83221     1.6628   -1.83221     1.6628   0.376534 0.276685  ?        ?         
1 1 1 76 18 1  o 0.661409 0.317449  -0.298935    1.21114  -0.436793    1.74304  -0.170242    1.6841   0.72491  0.355181  0.736927 0.358545  
1 1 1 76 18 2  o 1.18857  0.397948  2.58278      1.11422  3.81449      1.49226  1.03092      1.67501  1.32266  0.459833  0.834942 0.391915  
1 1 1 76 18 3  f 0.762838 0.340194  0.70042      1.058    -1.66699     1.43274  3.53956      1.56901  0.597158 0.297648  1.21404  0.463492  
1 1 1 76 18 4  f 0.637563 0.303126  -0.16865     1.05032  0.346853     1.47497  -0.698965    1.49601  0.747637 0.356772  0.665368 0.326977  
1 1 1 76 18 5  o 2.09455  0.287453  6.00106      1.20417  6.09483      1.73205  5.91333      1.67528  1.64674  0.490037  1.65055  0.479277  
1 1 1 76 18 6  o 0.777564 0.347809  0.986878     1.11336  -0.196821    1.59713  2.10587      1.55287  0.685542 0.337199  0.90184  0.406774  
1 1 1 76 18 7  o 0.702947 0.325435  0.615429     1.08576  1.74144      1.6108   -0.322142    1.46985  0.819233 0.384503  0.645761 0.318031  
1 1 1 76 19 0  o 1.23817  0.607675  4.14856      1.77327  4.14856      1.77327  4.14856      1.77327  1.63474  0.444445  ?        ?         
1 1 1 76 19 1  o 0.553052 0.275205  -1.333       1.19993  -1.01473     1.92203  -1.53628     1.53605  0.670737 0.335369  0.599477 0.299738  
1 1 1 76 19 2  o 0.838289 0.364384  1.38918      1.13778  0.798339     1.65936  1.91345      1.56308  0.755939 0.364941  0.868464 0.397371  
1 1 1 76 19 3  o 0.692614 0.328175  0.409601     1.22174  -1.10004     1.90185  1.47032      1.59419  0.650072 0.327104  0.803056 0.378374  
1 1 1 76 19 4  o 0.593014 0.290713  -0.543019    1.17047  0.239268     1.80303  -1.11282     1.5388   0.704977 0.348289  0.606352 0.303105  
1 1 1 76 19 5  o 0.5745   0.282488  -0.658568    1.11935  -2.10165     1.6227   0.651469     1.54608  0.571466 0.288918  0.721958 0.349213  
1 1 1 77 0  0  o 3.55252  0.205469  13.0496      1.44869  13.0496      1.44869  13.0496      1.44869  3.58276  0.143483  ?        ?         
1 1 1 77 0  1  o 0.643001 0.386419  0.549676     0.874939 0.549676     0.874939 0.549676     0.874939 0.604589 0.340523  ?        ?         
1 1 1 77 0  2  o 1.16333  0.424043  1.92141      0.905534 1.92141      0.905534 1.92141      0.905534 1.27848  0.287425  ?        ?         
1 1 1 77 0  3  o 1.13154  0.425305  1.84627      0.896006 1.84627      0.896006 1.84627      0.896006 1.24619  0.29287   ?        ?         
1 1 1 77 0  4  o 1.99361  0.236681  4.26558      0.913555 4.26558      0.913555 4.26558      0.913555 2.03112  0.161363  ?        ?         
1 1 1 77 0  5  o 1.04206  0.440966  1.67007      0.924229 1.67007      0.924229 1.67007      0.924229 1.14871  0.328541  ?        ?         
1 1 1 77 0  6  o 0.813032 0.419583  1.0877       0.866005 1.0877       0.866005 1.0877       0.866005 0.85329  0.35869   ?        ?         
1 1 1 77 0  7  o 2.67411  0.170935  7.36709      0.905632 7.36709      0.905632 7.36709      0.905632 2.69439  0.119369  ?        ?         
1 1 1 77 0  8  o 2.76828  0.184049  7.93015      1.00866  7.93015      1.00866  7.93015      1.00866  2.79244  0.128325  ?        ?         
1 1 1 77 0  9  o 1.19487  0.40719   1.97883      0.870942 1.97883      0.870942 1.97883      0.870942 1.31036  0.265461  ?        ?         
1 1 1 77 0  10 o 2.60534  0.199886  7.09851      1.02744  7.09851      1.02744  7.09851      1.02744  2.63542  0.138714  ?        ?         
1 1 1 77 0  11 o 1.04197  0.459699  1.75605      0.99869  1.75605      0.99869  1.75605      0.99869  1.15709  0.350439  ?        ?         
1 1 1 77 0  12 o 1.72032  0.363063  3.57641      1.09873  3.57641      1.09873  3.57641      1.09873  1.8181   0.221047  ?        ?         
1 1 1 77 0  13 o 1.57283  0.405031  3.18956      1.09924  3.18956      1.09924  3.18956      1.09924  1.69665  0.24369   ?        ?         
1 1 1 77 0  14 o 2.73019  0.299114  8.31569      1.58853  8.31569      1.58853  8.31569      1.58853  2.8102   0.202261  ?        ?         
1 1 1 77 0  15 o 0.913627 0.468682  1.51686      1.07685  1.51686      1.07685  1.51686      1.07685  0.995697 0.396952  ?        ?         
1 1 1 77 0  16 f 0.758112 0.456158  1.03272      1.2224   1.03272      1.2224   1.03272      1.2224   0.757873 0.411277  ?        ?         
1 1 1 77 0  17 o 0.473562 0.342486  -1.62145     1.49803  -1.62145     1.49803  -1.62145     1.49803  0.375814 0.274004  ?        ?         
1 1 1 77 0  18 o 0.480289 0.3465    -1.4313      1.48579  -1.4313      1.48579  -1.4313      1.48579  0.384881 0.278942  ?        ?         
1 1 1 77 0  19 o 1.05832  0.552696  2.48247      1.51447  2.48247      1.51447  2.48247      1.51447  1.2363   0.465064  ?        ?         
1 1 1 77 0  20 o 1.22489  0.565984  3.24992      1.51745  3.24992      1.51745  3.24992      1.51745  1.5085   0.412049  ?        ?         
1 1 1 77 0  21 o 0.555374 0.39026   -0.222382    1.56452  -0.222382    1.56452  -0.222382    1.56452  0.487997 0.339229  ?        ?         
1 1 1 77 0  22 o 0.478633 0.344141  -0.903614    1.41459  -0.903614    1.41459  -0.903614    1.41459  0.398238 0.286904  ?        ?         
1 1 1 77 0  23 o 0.70076  0.456255  1.43564      1.49599  1.43564      1.49599  1.43564      1.49599  0.746452 0.435376  ?        ?         
1 1 1 77 1  0  o 0.644552 0.390794  0.538533     0.912713 0.538533     0.912713 0.538533     0.912713 0.602947 0.344785  ?        ?         
1 1 1 77 1  1  o 1.01721  0.28951   1.17653      0.617294 0.455872     0.869603 1.90851      0.876407 0.818828 0.334574  1.27184  0.338488  
1 1 1 77 1  2  o 2.39256  0.139603  5.86127      0.668016 6.28332      0.924527 5.40021      0.966291 2.45396  0.188375  2.26156  0.213634  
1 1 1 77 1  3  o 2.15502  0.150219  4.77348      0.64745  4.72178      0.89605  4.82997      0.936558 2.11528  0.211804  2.13536  0.219298  
1 1 1 77 1  4  o 2.08184  0.159239  4.47083      0.66302  4.78364      0.958997 4.18439      0.917671 2.1207   0.226104  1.98047  0.23168   
1 1 1 77 1  5  o 4.09743  0.0946814 16.9782      0.7759   15.4098      1.08742  18.6048      1.10743  3.87774  0.140213  4.26825  0.129729  
1 1 1 77 1  6  o 1.40684  0.223514  2.10677      0.6289   2.31498      0.936646 1.93584      0.848649 1.39708  0.338328  1.28059  0.329504  
1 1 1 77 1  7  o 2.95045  0.119339  8.8701       0.704206 6.49059      1.03938  10.8893      0.957456 2.47581  0.209906  3.25315  0.147158  
1 1 1 77 1  8  o 2.25385  0.14793   5.23463      0.666826 5.67407      0.953851 4.81457      0.932577 2.31449  0.206061  2.12399  0.219534  
1 1 1 77 1  9  o 3.51269  0.110877  12.5632      0.778951 12.2575      1.07589  12.9         1.12926  3.43972  0.156392  3.52576  0.160144  
1 1 1 77 1  10 o 0.649344 0.284634  0.0131985    0.706154 0.18216      0.989974 -0.161821    1.00756  0.778409 0.339141  0.723897 0.327023  
1 1 1 77 1  11 o 1.64011  0.236551  2.94159      0.775939 3.06651      1.11473  2.82417      1.08074  1.56352  0.363123  1.49717  0.363957  
1 1 1 77 1  12 o 1.47103  0.274709  2.5098       0.778187 2.3462       1.1032   2.67183      1.09787  1.32868  0.389934  1.43164  0.377861  
1 1 1 77 1  13 o 0.48595  0.236964  -1.12565     0.749138 -0.463108    1.07946  -1.74122     1.04049  0.691201 0.321717  0.54593  0.268885  
1 1 1 77 1  14 o 0.696611 0.303042  0.152614     0.788131 0.77646      1.10847  -0.485184    1.1208   0.900962 0.374092  0.697239 0.325799  
1 1 1 77 1  15 o 1.74175  0.239158  3.42089      0.833107 2.11198      1.2348   4.51457      1.12872  1.19615  0.418055  1.95032  0.289367  
1 1 1 77 1  16 o 1.33442  0.352536  2.41532      0.955067 1.54761      1.54019  2.95742      1.21738  1.03189  0.435364  1.4119   0.408104  
1 1 1 77 1  17 o 0.658139 0.309635  -0.434134    1.05993  0.231245     1.5046   -1.08965     1.49341  0.828133 0.383278  0.6996   0.339518  
1 1 1 77 1  18 o 1.20019  0.389465  2.20414      1.06735  1.68125      1.47824  2.77366      1.54274  1.02165  0.428561  1.22654  0.462096  
1 1 1 77 1  19 o 1.49871  0.374674  3.43352      1.12118  4.60392      1.52846  2.0702       1.64963  1.5924   0.45631   1.01434  0.439799  
1 1 1 77 1  20 o 0.901299 0.368408  1.35527      1.05476  3.27741      1.53758  -0.353213    1.44961  1.20344  0.459007  0.699423 0.338283  
1 1 1 77 1  21 o 0.762307 0.345918  0.595567     1.13985  0.488195     1.66235  0.690847     1.56595  0.7926   0.378354  0.805198 0.378132  
1 1 1 77 1  22 o 0.673483 0.314555  0.27932      1.04328  1.2444       1.51953  -0.581314    1.43495  0.80726  0.377903  0.643896 0.317156  
1 1 1 77 2  0  o 0.52846  0.349131  -0.00231671  0.916216 -0.00231671  0.916216 -0.00231671  0.916216 0.449964 0.295882  ?        ?         
1 1 1 77 2  1  o 2.94008  0.118038  8.79573      0.694081 9.54877      0.976926 8.02818      0.986299 3.04095  0.160629  2.77866  0.177477  
1 1 1 77 2  2  o 2.78704  0.123605  7.91805      0.688982 7.99684      0.95623  7.83297      0.993578 2.77597  0.172233  2.74207  0.181173  
1 1 1 77 2  3  o 1.37677  0.22748   2.02133      0.626374 2.21812      0.878969 1.81827      0.892849 1.37574  0.324357  1.23329  0.347279  
1 1 1 77 2  4  o 1.90665  0.16153   3.75903      0.615962 2.85605      0.888061 4.59617      0.855079 1.58657  0.290702  2.0873   0.204829  
1 1 1 77 2  5  o 1.87216  0.166667  3.63474      0.624056 2.53402      0.888449 4.7067       0.876763 1.47849  0.310349  2.10937  0.207825  
1 1 1 77 2  6  f 1.73327  0.181086  3.13985      0.627742 3.15864      0.907719 3.12262      0.869065 1.69539  0.267703  1.69175  0.256854  
1 1 1 77 2  7  o 1.1852   0.271272  1.60386      0.629436 1.55224      0.904031 1.65243      0.876901 1.13106  0.357577  1.16762  0.348926  
1 1 1 77 2  8  o 2.61286  0.152539  7.06739      0.797126 6.00718      1.12486  8.13688      1.12977  2.35161  0.239168  2.76688  0.204159  
1 1 1 77 2  9  o 1.59262  0.227969  2.74571      0.726137 3.36293      1.03644  2.15068      1.01764  1.68519  0.31911   1.30271  0.372023  
1 1 1 77 2  10 o 1.5759   0.236211  2.71832      0.744487 3.253        1.06476  2.20689      1.04135  1.63375  0.337368  1.30721  0.377319  
1 1 1 77 2  11 o 0.855887 0.333904  0.746279     0.82518  1.30412      1.13696  0.125357     1.19952  1.03199  0.394387  0.810317 0.361775  
1 1 1 77 2  12 o 1.13393  0.326845  1.60087      0.781923 1.82147      1.1098   1.38342      1.10185  1.16594  0.397159  1.04754  0.391336  
1 1 1 77 2  13 o 0.872486 0.328197  0.845581     0.777621 0.107804     1.08735  1.61791      1.11252  0.773466 0.344908  1.1026   0.395662  
1 1 1 77 2  14 o 0.511777 0.249447  -1.14953     0.826773 -3.83814     1.29209  0.714491     1.07586  0.498099 0.252892  0.869297 0.365174  
1 1 1 77 2  15 o 1.40317  0.326289  2.5428       0.899172 1.92619      1.4577   2.92151      1.1424   1.1093   0.440652  1.4344   0.388599  
1 1 1 77 2  16 o 1.134    0.38303   1.90923      1.03225  1.51687      1.40938  2.36325      1.51609  1.00944  0.420646  1.16488  0.452976  
1 1 1 77 2  17 o 0.522526 0.259603  -1.82334     1.04676  -3.44273     1.52496  -0.380526    1.43942  0.564382 0.284781  0.747453 0.355129  
1 1 1 77 2  18 o 1.65492  0.337639  3.76706      1.07884  3.96012      1.60261  3.60708      1.45891  1.43312  0.477261  1.41033  0.455103  
1 1 1 77 2  19 o 0.587567 0.285957  -0.84631     1.07256  -2.30539     1.40057  1.22282      1.66786  0.566091 0.283974  0.8793   0.40565   
1 1 1 77 2  20 o 0.677101 0.321632  -0.087039    1.1801   1.25543      1.79165  -1.11577     1.56839  0.860256 0.404096  0.657234 0.324735  
1 1 1 77 2  21 o 1.12494  0.393253  2.3803       1.09268  2.16887      1.5188   2.60715      1.5732   0.968806 0.421055  1.02797  0.437133  
1 1 1 77 2  22 o 0.516529 0.25657   -1.13973     1.01978  -2.02448     1.47791  -0.335659    1.40892  0.553539 0.279526  0.63819  0.314347  
1 1 1 77 3  0  o 2.72549  0.186048  7.69941      1.0033   7.69941      1.0033   7.69941      1.0033   2.75043  0.129624  ?        ?         
1 1 1 77 3  1  o 1.1577   0.277062  1.52899      0.633901 1.40234      0.887365 1.66097      0.905863 1.08855  0.355134  1.17424  0.355399  
1 1 1 77 3  2  o 1.64424  0.20382   2.85473      0.670257 4.16329      0.96135  1.61699      0.934975 1.96234  0.24495   1.1567   0.363313  
1 1 1 77 3  3  o 2.21888  0.143048  5.06126      0.634813 5.46032      0.930811 4.71424      0.867998 2.27222  0.204824  2.11085  0.205604  
1 1 1 77 3  4  o 1.28553  0.240221  1.83069      0.594704 1.49691      0.854913 2.14366      0.827819 1.11728  0.346709  1.35271  0.312112  
1 1 1 77 3  5  o 1.51385  0.209517  2.43724      0.634355 1.76164      0.872843 3.19359      0.923528 1.20532  0.344646  1.6988   0.271817  
1 1 1 77 3  6  o 0.598705 0.266202  -0.104464    0.643506 -0.331653    0.896387 0.137129     0.924368 0.661093 0.301834  0.753342 0.327964  
1 1 1 77 3  7  o 1.79577  0.188709  3.40361      0.677756 2.91658      0.942935 3.92416      0.974846 1.57584  0.310236  1.88505  0.258572  
1 1 1 77 3  8  o 1.91732  0.183862  3.8784       0.705046 5.09335      1.00303  2.69185      0.99124  2.16336  0.231823  1.48319  0.34107   
1 1 1 77 3  9  o 1.70992  0.213781  3.15588      0.731099 2.67955      1.00563  3.68989      1.06477  1.46659  0.347688  1.7875   0.297837  
1 1 1 77 3  10 o 1.89733  0.197147  3.85617      0.748106 2.62738      1.06989  5.03175      1.04646  1.42409  0.371704  2.12849  0.245822  
1 1 1 77 3  11 o 3.73345  0.151995  14.547       1.13493  12.7283      1.63126  16.2533      1.58004  3.38829  0.24072   3.88364  0.203423  
1 1 1 77 3  12 o 1.69766  0.229519  3.17774      0.779292 3.08312      1.11074  3.26946      1.09363  1.54424  0.364968  1.60734  0.34994   
1 1 1 77 3  13 o 2.48938  0.183041  6.64628      0.911315 4.65377      1.36229  8.26015      1.22604  1.87697  0.376165  2.72879  0.224649  
1 1 1 77 3  14 f 1.56179  0.294608  2.99379      0.886579 4.40431      1.46627  2.18092      1.1131   1.7294   0.426126  1.22156  0.397749  
1 1 1 77 3  15 o 1.18841  0.354325  1.96888      0.904948 2.80991      1.42486  1.40028      1.17158  1.28964  0.449236  0.992411 0.394785  
1 1 1 77 3  16 o 0.855777 0.35664   0.845205     1.01323  1.08625      1.39016  0.572036     1.47989  0.92884  0.403245  0.862861 0.39224   
1 1 1 77 3  17 o 1.67517  0.346099  3.84593      1.12006  4.06907      1.80376  3.70589      1.42894  1.4073   0.503921  1.4773   0.446215  
1 1 1 77 3  18 o 0.642021 0.302078  -0.213848    1.00925  -2.05607     1.44522  1.5397       1.41001  0.592907 0.296008  0.934416 0.405896  
1 1 1 77 3  19 f 0.821486 0.355493  0.996876     1.07387  -0.368408    1.51874  2.36195      1.51862  0.702984 0.341544  1.02233  0.431863  
1 1 1 77 3  20 o 1.02504  0.392601  1.97332      1.12873  2.37654      1.69133  1.64954      1.51561  0.998221 0.439012  0.91401  0.407403  
1 1 1 77 3  21 o 0.591749 0.288999  -0.543891    1.12968  -0.918471    1.50797  -0.0648136   1.70539  0.622387 0.309542  0.693539 0.341696  
1 1 1 77 4  0  o 1.2401   0.438111  2.19777      0.985301 2.19777      0.985301 2.19777      0.985301 1.37054  0.28893   ?        ?         
1 1 1 77 4  1  o 0.71749  0.293391  0.33355      0.669209 0.173229     0.93939  0.49875      0.953578 0.766919 0.332193  0.839747 0.347718  
1 1 1 77 4  2  f 2.34032  0.151755  5.66268      0.71031  6.19173      1.02122  5.16687      0.988633 2.41032  0.211843  2.1929   0.225417  
1 1 1 77 4  3  o 1.8653   0.168454  3.62711      0.628435 4.23576      0.906199 3.06321      0.872254 1.98243  0.228558  1.66732  0.261574  
1 1 1 77 4  4  o 2.29435  0.144374  5.43151      0.662489 4.39362      0.897751 6.6725       0.981664 2.02153  0.222047  2.51106  0.195468  
1 1 1 77 4  5  o 0.634472 0.274885  0.0602016    0.643505 -0.371908    0.885968 0.542718     0.936218 0.648399 0.297717  0.839549 0.34578   
1 1 1 77 4  6  o 2.20517  0.161841  5.06856      0.713774 4.16367      0.974886 6.11412      1.04792  1.94325  0.250839  2.38043  0.220112  
1 1 1 77 4  7  o 0.840365 0.305897  0.757848     0.667066 0.652024     0.938077 0.866096     0.948761 0.85797  0.348522  0.912667 0.357629  
1 1 1 77 4  8  o 1.78024  0.201032  3.3996       0.715769 2.19568      1.00625  4.63268      1.01836  1.30239  0.369299  2.04084  0.249496  
1 1 1 77 4  9  f 2.19112  0.178533  5.08418      0.782374 5.0176       1.08408  5.15654      1.13025  2.11555  0.256218  2.13713  0.264432  
1 1 1 77 4  10 o 1.06311  0.320491  1.39596      0.737628 0.742257     1.04613  2.04229      1.04022  0.888088 0.3656    1.23908  0.382028  
1 1 1 77 4  11 o 1.9114   0.217262  3.99057      0.830549 3.30447      1.32756  4.43181      1.06463  1.53785  0.419929  1.96884  0.27037   
1 1 1 77 4  12 o 1.7937   0.241635  3.6256       0.866841 4.18778      1.37651  3.25614      1.1159   1.74226  0.402781  1.57461  0.361739  
1 1 1 77 4  13 o 0.649009 0.296424  -0.163971    0.865416 1.00414      1.36539  -0.94835     1.11886  0.94124  0.403953  0.629414 0.302825  
1 1 1 77 4  14 o 1.85692  0.26061   4.06241      0.967867 3.88028      1.5205   4.18648      1.25495  1.53404  0.459674  1.74392  0.370919  
1 1 1 77 4  15 o 1.21176  0.356336  2.07361      0.920377 3.2169       1.41829  1.24192      1.20968  1.38184  0.448977  0.951135 0.392604  
1 1 1 77 4  16 o 0.767182 0.33676   0.445833     0.99134  -0.114408    1.37207  1.05772      1.43391  0.757281 0.355326  0.916779 0.403705  
1 1 1 77 4  17 o 0.90846  0.371928  1.30154      1.07673  0.340665     1.67508  1.97812      1.40559  0.80601  0.383021  1.01825  0.421928  
1 1 1 77 4  18 o 0.953677 0.37261   1.56619      1.02837  1.31434      1.49597  1.79184      1.416    0.878668 0.397628  0.95251  0.410149  
1 1 1 77 4  19 o 0.762129 0.341404  0.638946     1.07621  -0.816374    1.50912  2.14501      1.5352   0.670853 0.329265  0.989018 0.42648   
1 1 1 77 4  20 o 0.735811 0.333958  0.625949     1.06348  -0.219812    1.66395  1.21001      1.38276  0.707495 0.346767  0.825123 0.376169  
1 1 1 77 5  0  o 2.52074  0.221315  6.73593      1.09597  6.73593      1.09597  6.73593      1.09597  2.55886  0.152673  ?        ?         
1 1 1 77 5  1  o 1.50008  0.228073  2.43476      0.684255 0.917783     0.990404 3.82009      0.946455 0.939111 0.365924  1.86158  0.254208  
1 1 1 77 5  2  o 1.17137  0.285548  1.60281      0.663828 2.58862      0.948393 0.655911     0.929483 1.46376  0.331589  0.863003 0.348383  
1 1 1 77 5  3  f 1.67087  0.199136  2.9704       0.665458 3.90453      0.922947 1.95899      0.960368 1.88624  0.244652  1.24722  0.363112  
1 1 1 77 5  4  o 1.49735  0.223027  2.42655      0.667902 1.97395      0.908946 2.95775      0.984708 1.25807  0.349149  1.56865  0.324834  
1 1 1 77 5  5  o 0.669169 0.283283  0.197678     0.65572  1.30165      0.91865  -0.949021    0.936257 1.03169  0.360586  0.586515 0.280922  
1 1 1 77 5  6  o 1.44315  0.237803  2.29321      0.686369 2.45095      0.93929  2.11247      1.00543  1.4054   0.337842  1.27653  0.371496  
1 1 1 77 5  7  o 1.29205  0.274954  1.95255      0.689282 2.62441      0.96498  1.25266      0.984908 1.45337  0.338056  1.01198  0.371369  
1 1 1 77 5  8  f 2.28432  0.171177  5.50507      0.782049 5.07884      1.11304  5.92065      1.09906  2.12164  0.262306  2.31465  0.237414  
1 1 1 77 5  9  o 1.46605  0.268552  2.49401      0.75808  2.47798      1.04845  2.51157      1.09739  1.37441  0.372246  1.37216  0.384565  
1 1 1 77 5  10 o 1.17107  0.331281  1.73499      0.81066  3.18072      1.32261  0.865046     1.02597  1.49854  0.422902  0.905575 0.365833  
1 1 1 77 5  11 o 1.43945  0.301668  2.54208      0.840599 1.1702       1.30401  3.51747      1.09954  0.981804 0.406585  1.65689  0.343363  
1 1 1 77 5  12 o 1.81891  0.244221  3.78492      0.888432 2.30278      1.38405  4.82362      1.15865  1.2029   0.440351  2.00378  0.289116  
1 1 1 77 5  13 f 0.877351 0.340424  0.953312     0.855312 2.10024      1.399    0.268733     1.08084  1.13272  0.43623   0.766911 0.342877  
1 1 1 77 5  14 o 0.880608 0.34548   0.984314     0.88594  -0.0417288   1.40854  1.65592      1.13958  0.78008  0.36479   1.04656  0.396328  
1 1 1 77 5  15 o 0.804453 0.346131  0.626603     1.00699  1.14761      1.43077  0.115215     1.41751  0.932105 0.406892  0.792341 0.368744  
1 1 1 77 5  16 o 0.6413   0.303874  -0.357534    1.0476   2.23467      1.51831  -2.71294     1.4473   1.06354  0.439474  0.564589 0.284099  
1 1 1 77 5  17 o 0.87532  0.366563  1.21467      1.07846  1.3421       1.58247  1.10415      1.47369  0.888397 0.404317  0.858092 0.390431  
1 1 1 77 5  18 o 0.669876 0.311199  0.100479     1.00393  -0.577703    1.4378   0.745667     1.40239  0.67443  0.328767  0.797346 0.369413  
1 1 1 77 5  19 o 0.720307 0.334195  0.365295     1.153    -0.458877    1.68965  1.08351      1.57731  0.708031 0.347799  0.828939 0.387011  
1 1 1 77 5  20 o 0.714341 0.327659  0.702874     1.07009  0.131235     1.48011  1.32887      1.54889  0.6779   0.331017  0.78218  0.370092  
1 1 1 77 6  0  o 1.95165  0.313925  4.36947      1.12981  4.36947      1.12981  4.36947      1.12981  2.0274   0.201597  ?        ?         
1 1 1 77 6  1  o 1.58914  0.217513  2.73238      0.691315 2.57595      0.920268 2.93499      1.04735  1.45669  0.324323  1.53693  0.348662  
1 1 1 77 6  2  o 1.5072   0.226944  2.47677      0.684101 2.6408       0.945169 2.29629      0.991417 1.46988  0.32968   1.34249  0.361253  
1 1 1 77 6  3  o 0.847396 0.304065  0.792361     0.657033 0.366649     0.917261 1.24095      0.941586 0.78502  0.333802  1.00992  0.36384   
1 1 1 77 6  4  o 1.40275  0.229432  2.15619      0.643671 2.91577      0.896048 1.34632      0.925231 1.57115  0.296003  1.03896  0.361995  
1 1 1 77 6  5  o 1.12818  0.290718  1.52215      0.659897 0.785139     0.91991  2.30346      0.947156 0.880743 0.349993  1.34964  0.348557  
1 1 1 77 6  6  o 0.562448 0.259405  -0.3405      0.681437 0.12062      0.923013 -0.892938    1.01028  0.735113 0.323801  0.616171 0.29433   
1 1 1 77 6  7  o 0.464292 0.226042  -0.99754     0.671784 -0.312378    0.939222 -1.71522     0.961254 0.666003 0.306108  0.518391 0.255674  
1 1 1 77 6  8  o 1.37968  0.291739  2.27341      0.780206 2.392        1.24024  2.19575      1.00368  1.3014   0.419578  1.29096  0.369717  
1 1 1 77 6  9  o 1.6766   0.2473    3.16777      0.829245 2.87185      1.25106  3.39966      1.10748  1.42215  0.414568  1.63022  0.349762  
1 1 1 77 6  10 o 1.69803  0.258036  3.3189       0.876305 3.06105      1.43235  3.47314      1.10782  1.39874  0.450898  1.63481  0.349075  
1 1 1 77 6  11 o 0.92738  0.341066  1.09804      0.831122 1.51195      1.33667  0.83716      1.0612   1.02938  0.416859  0.877507 0.365295  
1 1 1 77 6  12 o 0.74588  0.319396  0.42061      0.850269 1.18456      1.43867  0.0105315    1.05405  0.95768  0.412909  0.720682 0.328521  
1 1 1 77 6  13 o 0.557033 0.267266  -0.743329    0.856748 -1.03037     1.37718  -0.562107    1.09428  0.677357 0.327977  0.652482 0.309833  
1 1 1 77 6  14 o 0.924804 0.348178  1.16645      0.875558 0.433701     1.4415   1.59482      1.10216  0.83458  0.381758  1.02541  0.389342  
1 1 1 77 6  15 o 1.03364  0.38356   1.73817      1.05497  1.40711      1.48968  2.07127      1.49424  0.938667 0.41242   1.04674  0.434461  
1 1 1 77 6  16 o 0.879133 0.362006  1.20647      1.02593  0.852145     1.51557  1.50615      1.39383  0.833452 0.385331  0.920548 0.401727  
1 1 1 77 6  17 o 0.713071 0.327817  0.34132      1.07786  0.546369     1.55569  0.152017     1.49477  0.782542 0.370566  0.740982 0.354919  
1 1 1 77 6  18 o 0.748528 0.337621  0.583067     1.06975  1.34092      1.45588  -0.306246    1.5771   0.870566 0.393201  0.713063 0.346944  
1 1 1 77 6  19 o 0.746863 0.342469  0.829559     1.16799  0.352719     1.6779   1.27783      1.62686  0.719667 0.351644  0.792931 0.37712   
1 1 1 77 7  0  o 1.23665  0.461263  2.31584      1.05824  2.31584      1.05824  2.31584      1.05824  1.38685  0.3093    ?        ?         
1 1 1 77 7  1  o 1.49873  0.238123  2.48232      0.713765 2.70029      1.00371  2.25932      1.01522  1.46552  0.347308  1.31757  0.370089  
1 1 1 77 7  2  o 1.92965  0.18732   3.96687      0.722927 4.57182      0.959203 3.17139      1.09993  2.03603  0.235557  1.5842   0.355875  
1 1 1 77 7  3  o 1.19201  0.28415   1.68839      0.668795 0.855771     0.942611 2.53244      0.949062 0.900455 0.355399  1.42487  0.337751  
1 1 1 77 7  4  o 2.39956  0.14714   5.99404      0.70614  6.52122      0.994237 5.45743      1.00309  2.4609   0.202007  2.23247  0.224659  
1 1 1 77 7  5  o 2.99881  0.129161  9.2805       0.774658 9.59028      1.07691  8.94832      1.11515  3.00601  0.179126  2.89034  0.19291   
1 1 1 77 7  6  o 1.7058   0.21896   3.18113      0.747003 2.26095      1.05598  4.10285      1.05686  1.30055  0.381441  1.88652  0.28011   
1 1 1 77 7  7  o 1.06495  0.334199  1.43897      0.791361 0.764009     1.19745  1.96234      1.05445  0.905899 0.383123  1.19973  0.386884  
1 1 1 77 7  8  o 2.56999  0.170265  7.02363      0.875158 5.64493      1.33639  8.05885      1.15801  2.16053  0.309273  2.70651  0.213931  
1 1 1 77 7  9  o 1.461    0.316896  2.69335      0.899948 0.597558     1.46511  3.96325      1.14046  0.894149 0.399498  1.76047  0.335951  
1 1 1 77 7  10 o 0.91113  0.340586  1.05308      0.834848 1.03383      1.39743  1.06376      1.04105  0.940558 0.406254  0.922474 0.370223  
1 1 1 77 7  11 o 1.75192  0.255873  3.60658      0.896539 3.3065       1.51564  3.76809      1.11194  1.382    0.464129  1.68627  0.341625  
1 1 1 77 7  12 o 1.32265  0.332075  2.34971      0.877893 3.62724      1.46813  1.63868      1.09528  1.46985  0.45399   1.0461   0.390294  
1 1 1 77 7  13 o 0.692175 0.307402  0.18969      0.855163 -0.501852    1.36248  0.639205     1.09848  0.717379 0.342467  0.820351 0.35733   
1 1 1 77 7  14 o 1.19374  0.380352  2.25226      1.02139  4.00315      1.55882  0.935034     1.35206  1.44986  0.470684  0.867097 0.38569   
1 1 1 77 7  15 o 1.05102  0.387023  1.92984      1.07048  2.22328      1.56793  1.67363      1.46508  1.02199  0.435548  0.945604 0.412272  
1 1 1 77 7  16 f 1.33044  0.39245   3.04798      1.11472  4.45217      1.56589  1.60525      1.58723  1.44016  0.471761  0.90236  0.408899  
1 1 1 77 7  17 o 0.711466 0.331822  0.211958     1.15574  0.499216     1.56605  -0.131623    1.71271  0.785914 0.37199   0.746154 0.362576  
1 1 1 77 7  18 o 0.573842 0.281725  -0.827817    1.10603  -1.29081     1.62593  -0.429048    1.50895  0.630957 0.314857  0.668234 0.328386  
1 1 1 77 8  0  o 0.64027  0.397761  0.549924     0.993863 0.549924     0.993863 0.549924     0.993863 0.600806 0.352892  ?        ?         
1 1 1 77 8  1  o 2.38241  0.158636  5.95127      0.755874 4.94955      1.08827  6.88493      1.05065  2.09271  0.260015  2.52062  0.208411  
1 1 1 77 8  2  o 0.569131 0.263202  -0.36168     0.707755 -0.569865    0.996423 -0.149697    1.00547  0.647812 0.303753  0.710627 0.323111  
1 1 1 77 8  3  o 0.84907  0.310045  0.805424     0.685754 1.14715      0.910506 0.357501     1.04243  0.971712 0.357021  0.806073 0.349556  
1 1 1 77 8  4  o 0.815825 0.312764  0.695182     0.716895 0.592679     0.972625 0.81711      1.06079  0.83663  0.349089  0.900225 0.368962  
1 1 1 77 8  5  o 0.908158 0.317437  0.989951     0.711958 0.516933     1.02639  1.42861      0.988406 0.826705 0.352361  1.04471  0.373133  
1 1 1 77 8  6  o 1.76641  0.214961  3.43605      0.75942  3.42787      1.10434  3.44338      1.04599  1.62953  0.348963  1.65769  0.327143  
1 1 1 77 8  7  o 0.618302 0.283917  -0.244002    0.805884 -1.74998     1.22859  0.893289     1.06766  0.595584 0.293358  0.898451 0.369516  
1 1 1 77 8  8  o 0.885997 0.34058   0.954199     0.851926 0.116427     1.48182  1.36783      1.04121  0.828527 0.382276  1.00146  0.378957  
1 1 1 77 8  9  o 1.00067  0.347173  1.35969      0.850247 0.714877     1.48955  1.67132      1.03552  0.895928 0.401487  1.07444  0.382105  
1 1 1 77 8  10 o 0.597774 0.281598  -0.490704    0.88216  -1.88869     1.51001  0.23365      1.08693  0.647087 0.319459  0.758238 0.341252  
1 1 1 77 8  11 o 1.68621  0.275923  3.44312      0.930526 2.50008      1.5799   3.94402      1.15143  1.17379  0.461116  1.70995  0.348765  
1 1 1 77 8  12 o 2.74043  0.185116  8.25318      1.01459  6.22424      1.59723  9.62568      1.31368  2.06074  0.401875  2.89599  0.22681   
1 1 1 77 8  13 o 2.22362  0.20704   5.64858      0.920759 7.14419      1.53963  4.81585      1.14884  2.2802   0.337609  1.93209  0.297305  
1 1 1 77 8  14 o 1.80653  0.289471  4.27989      1.04588  6.21754      1.56943  2.73193      1.40276  1.94946  0.414917  1.15472  0.439005  
1 1 1 77 8  15 o 0.808726 0.354479  0.9201       1.09511  -0.440438    1.52316  2.37598      1.57563  0.698467 0.340107  1.01527  0.434772  
1 1 1 77 8  16 o 0.936729 0.373113  1.51759      1.04771  2.15026      1.42863  0.781362     1.54113  1.00837  0.422065  0.81347  0.380769  
1 1 1 77 8  17 o 0.772595 0.349261  0.82321      1.15119  0.781571     1.56191  0.872729     1.70331  0.782658 0.370944  0.795634 0.380561  
1 1 1 77 8  18 o 0.747676 0.339807  0.929059     1.10938  -1.06451     1.626    2.66529      1.51743  0.619436 0.309718  0.946744 0.416105  
1 1 1 77 9  0  o 3.27013  0.203667  11.2786      1.3202   11.2786      1.3202   11.2786      1.3202   3.31481  0.141396  ?        ?         
1 1 1 77 9  1  o 1.23967  0.297133  1.88104      0.728208 1.42892      1.10197  2.23152      0.970245 1.03902  0.390722  1.29687  0.360997  
1 1 1 77 9  2  o 1.06302  0.332857  1.45073      0.785598 1.70935      1.23074  1.27291      1.02055  1.10229  0.413235  0.996087 0.375691  
1 1 1 77 9  3  o 0.839873 0.331468  0.756221     0.819902 1.12369      1.25646  0.483702     1.08203  0.969416 0.400136  0.824061 0.356727  
1 1 1 77 9  4  o 1.11505  0.357562  1.67355      0.901594 0.681522     1.41903  2.3451       1.16754  0.905486 0.399832  1.26934  0.40688   
1 1 1 77 9  5  o 0.632531 0.287541  -0.130284    0.795358 -0.630707    1.1062   0.405274     1.14438  0.661157 0.312799  0.814904 0.359547  
1 1 1 77 9  6  o 3.32229  0.153195  11.6728      1.01792  11.2952      1.49024  12.0032      1.39371  3.15241  0.236366  3.28874  0.211892  
1 1 1 77 9  7  o 0.587476 0.275431  -0.432003    0.818422 -1.05799     1.3042   -0.0253599   1.05115  0.664556 0.321324  0.717764 0.327427  
1 1 1 77 9  8  o 2.17991  0.213287  5.33055      0.929891 5.83901      1.57485  5.05839      1.15219  2.01111  0.405757  2.04358  0.281905  
1 1 1 77 9  9  o 1.72675  0.263745  3.55003      0.910843 2.58445      1.64011  3.98064      1.09527  1.18512  0.468467  1.75064  0.324995  
1 1 1 77 9  10 o 1.08439  0.35949   1.6923       0.909268 -0.403535    1.50135  2.90633      1.14267  0.756372 0.360704  1.39441  0.392942  
1 1 1 77 9  11 f 1.57951  0.29745   3.17564      0.905191 1.82575      1.47581  3.98973      1.14609  1.04151  0.432     1.71137  0.346943  
1 1 1 77 9  12 o 0.58642  0.276908  -0.396423    0.86288  -0.715469    1.46451  -0.226774    1.06793  0.694437 0.336764  0.662831 0.311539  
1 1 1 77 9  13 f 1.7497   0.279619  3.95528      0.978497 3.76649      1.64585  4.05849      1.21692  1.28836  0.478881  1.6068   0.383463  
1 1 1 77 9  14 o 0.885265 0.368441  1.31914      1.07917  3.10434      1.58111  -0.2379      1.47661  1.1408   0.456915  0.707736 0.342151  
1 1 1 77 9  15 o 0.629666 0.302236  -0.418562    1.09836  -0.105076    1.46703  -0.818424    1.65686  0.720973 0.346847  0.692495 0.341099  
1 1 1 77 9  16 o 0.835751 0.358576  1.16013      1.07532  1.46063      1.45446  0.797871     1.59697  0.867392 0.392323  0.793467 0.375603  
1 1 1 77 9  17 o 0.602017 0.295374  -0.51437     1.21261  -0.680985    1.77509  -0.368585    1.66043  0.653334 0.326441  0.660343 0.32792   
1 1 1 77 10 0  o 0.614469 0.396487  0.411467     1.09533  0.411467     1.09533  0.411467     1.09533  0.562373 0.35027   ?        ?         
1 1 1 77 10 1  o 0.724048 0.311841  0.312697     0.818895 1.95889      1.54502  -0.33043     0.965697 1.11509  0.449569  0.655545 0.304801  
1 1 1 77 10 2  o 2.70481  0.170504  7.83273      0.922365 9.4457       1.60569  7.03837      1.12683  2.80781  0.285932  2.50383  0.225021  
1 1 1 77 10 3  o 1.73419  0.233687  3.41411      0.810514 4.42438      1.32417  2.80883      1.02495  1.79365  0.380654  1.44128  0.356972  
1 1 1 77 10 4  o 2.8168   0.163279  8.46955      0.919849 7.58929      1.48406  9.01871      1.17217  2.49038  0.297958  2.85539  0.205255  
1 1 1 77 10 5  o 0.623898 0.289532  -0.289429    0.866048 -2.43316     1.33649  1.26233      1.13708  0.573512 0.286088  0.965078 0.387089  
1 1 1 77 10 6  o 1.95185  0.236057  4.38061      0.921495 4.55603      1.45153  4.26218      1.19266  1.73975  0.421091  1.78996  0.345482  
1 1 1 77 10 7  o 1.70118  0.278783  3.50884      0.948519 2.17461      1.41579  4.59538      1.27764  1.1349   0.438472  1.8359   0.360818  
1 1 1 77 10 8  o 2.55428  0.203857  7.27681      1.04142  8.32959      1.66766  6.60379      1.33337  2.53235  0.329271  2.31914  0.287472  
1 1 1 77 10 9  o 1.16844  0.372916  2.02377      0.981535 3.47129      1.58987  1.13227      1.2477   1.36885  0.474754  0.922781 0.390712  
1 1 1 77 10 10 o 0.774922 0.329668  0.603842     0.895444 2.3461       1.43848  -0.498396    1.14416  1.13091  0.440928  0.660945 0.315122  
1 1 1 77 10 11 o 0.662061 0.301931  0.0972071    0.892446 0.15774      1.46861  0.061766     1.12373  0.767084 0.361935  0.705374 0.328289  
1 1 1 77 10 12 o 1.5659   0.31114   3.37219      0.939815 4.23453      1.51142  2.8286       1.20001  1.45893  0.462464  1.24828  0.412985  
1 1 1 77 10 13 o 0.499827 0.249277  -1.67291     1.012    -2.26187     1.45967  -1.12779     1.4043   0.572591 0.288108  0.628955 0.309923  
1 1 1 77 10 14 o 0.538566 0.265791  -1.28209     1.04296  -2.20767     1.47788  -0.363773    1.47207  0.581911 0.291823  0.699441 0.338742  
1 1 1 77 10 15 o 0.780824 0.346645  0.843792     1.08611  0.927726     1.48315  0.74673      1.59493  0.804362 0.375437  0.790009 0.374625  
1 1 1 77 10 16 o 0.839699 0.359059  1.45862      1.07188  0.816776     1.42844  2.28578      1.62159  0.73384  0.350404  0.877344 0.402813  
1 1 1 77 11 0  o 0.81019  0.469615  1.31587      1.21846  1.31587      1.21846  1.31587      1.21846  0.851634 0.42265   ?        ?         
1 1 1 77 11 1  o 1.38857  0.328127  2.54039      0.897922 1.69976      1.28302  3.34737      1.25708  1.05376  0.415038  1.49535  0.408766  
1 1 1 77 11 2  o 2.15734  0.2224    5.26967      0.959584 4.48231      1.56963  5.73955      1.21257  1.66183  0.457868  2.1825   0.277794  
1 1 1 77 11 3  o 0.837597 0.330874  0.831578     0.817661 0.0333943    1.42443  1.22384      0.998567 0.79405  0.369579  0.948015 0.367832  
1 1 1 77 11 4  o 1.9349   0.225337  4.262        0.872009 3.37336      1.47015  4.74434      1.08311  1.40764  0.457112  1.9876   0.272467  
1 1 1 77 11 5  o 1.6455   0.265987  3.23458      0.875363 2.35305      1.46152  3.72772      1.09312  1.16444  0.446526  1.67635  0.337896  
1 1 1 77 11 6  o 1.17115  0.342124  1.89912      0.85115  1.9779       1.42052  1.85498      1.06313  1.08868  0.434198  1.10627  0.387786  
1 1 1 77 11 7  o 0.754905 0.333506  0.368558     0.988955 -0.0783061   1.60308  0.643115     1.25656  0.801125 0.378039  0.841562 0.373327  
1 1 1 77 11 8  f 1.19331  0.3779    2.15367      1.00939  3.22008      1.70085  1.57389      1.25412  1.26657  0.482857  1.00191  0.404585  
1 1 1 77 11 9  o 1.08841  0.382173  1.92655      1.03294  1.95037      1.62735  1.91048      1.33675  1.01269  0.437919  1.03312  0.417488  
1 1 1 77 11 10 o 0.53298  0.264298  -1.50633     1.06272  -0.777084    1.52603  -2.193       1.48082  0.689846 0.336716  0.592629 0.296315  
1 1 1 77 11 11 o 1.10557  0.383601  2.12656      1.03806  3.3679       1.52525  1.05546      1.41681  1.2348   0.460597  0.847769 0.384955  
1 1 1 77 11 12 o 0.565635 0.275167  -0.770899    0.991334 -0.7904      1.42626  -0.752674    1.37885  0.655166 0.321095  0.649547 0.317704  
1 1 1 77 11 13 o 0.817531 0.352532  0.954615     1.04897  2.4692       1.55422  -0.312504    1.42159  1.04232  0.438434  0.697298 0.336865  
1 1 1 77 11 14 o 0.771498 0.341763  0.802038     1.04808  0.81373      1.48837  0.790537     1.47613  0.790834 0.370891  0.787897 0.369486  
1 1 1 77 11 15 o 0.687849 0.322204  0.489894     1.11093  1.12563      1.49189  -0.301398    1.66443  0.763703 0.362231  0.664347 0.32969   
1 1 1 77 12 0  o 0.401475 0.291898  -1.64194     1.17794  -1.64194     1.17794  -1.64194     1.17794  0.311331 0.229328  ?        ?         
1 1 1 77 12 1  o 1.74624  0.262022  3.62913      0.915104 3.62153      1.3359   3.63585      1.25609  1.52499  0.423299  1.56695  0.399511  
1 1 1 77 12 2  o 2.31864  0.223493  6.12201      1.0364   3.79046      1.45581  8.51798      1.47578  1.51638  0.448861  2.64866  0.27859   
1 1 1 77 12 3  o 2.23682  0.226354  5.7221       1.01263  4.61334      1.48649  6.68216      1.38322  1.71969  0.432325  2.31291  0.299022  
1 1 1 77 12 4  o 1.82944  0.248992  3.93639      0.911034 4.27605      1.47165  3.72534      1.16004  1.6304   0.440769  1.63342  0.364453  
1 1 1 77 12 5  o 1.93662  0.233962  4.34387      0.906191 2.82424      1.56825  5.10561      1.11032  1.22724  0.464879  2.05421  0.270255  
1 1 1 77 12 6  o 1.47178  0.313227  2.85423      0.894466 0.338895     1.62001  3.95732      1.07282  0.834201 0.390459  1.73127  0.321868  
1 1 1 77 12 7  o 0.56622  0.271318  -0.614956    0.875679 -0.943865    1.6502   -0.486035    1.03314  0.713394 0.348613  0.627512 0.299244  
1 1 1 77 12 8  o 1.06428  0.372745  1.86427      0.98207  1.23226      1.64554  2.21392      1.22394  0.894034 0.408506  1.09822  0.412016  
1 1 1 77 12 9  o 1.03608  0.369124  1.78855      0.966743 1.38138      1.62951  2.0097       1.20092  0.897499 0.408947  1.03912  0.403341  
1 1 1 77 12 10 o 0.832839 0.350263  1.03806      0.991682 2.09092      1.6534   0.446502     1.23935  0.969411 0.429369  0.75232  0.348063  
1 1 1 77 12 11 o 1.54473  0.332258  3.48133      0.997058 1.40806      1.68527  4.59783      1.23672  0.877463 0.405929  1.71601  0.370867  
1 1 1 77 12 12 o 1.50861  0.365161  3.55685      1.09152  3.21641      1.56654  3.87809      1.52171  1.16825  0.459092  1.33224  0.464235  
1 1 1 77 12 13 o 0.698862 0.325839  0.306759     1.11331  0.975698     1.66798  -0.230692    1.49509  0.804795 0.382332  0.691714 0.336844  
1 1 1 77 12 14 o 0.560117 0.274961  -0.679007    1.05314  -1.27909     1.47543  -0.0557065   1.50371  0.589319 0.29466   0.667113 0.327829  
1 1 1 77 13 0  o 1.04597  0.522489  2.25492      1.32004  2.25492      1.32004  2.25492      1.32004  1.21709  0.424778  ?        ?         
1 1 1 77 13 1  o 1.18475  0.369222  2.08221      0.968154 1.58782      1.35052  2.60491      1.38863  1.00186  0.414263  1.21439  0.441419  
1 1 1 77 13 2  o 1.13234  0.368111  1.91833      0.953401 0.749776     1.32197  3.18489      1.37629  0.85507  0.380828  1.35727  0.442279  
1 1 1 77 13 3  o 0.847346 0.345211  0.918313     0.923044 -1.48391     1.4174   2.68727      1.21631  0.639105 0.31479   1.27069  0.41578   
1 1 1 77 13 4  o 0.968244 0.357939  1.4112       0.917007 2.72322      1.39768  0.419576     1.21509  1.20494  0.442375  0.780952 0.355116  
1 1 1 77 13 5  o 0.612058 0.288801  -0.342428    0.935262 -1.71633     1.48699  0.556815     1.20301  0.626198 0.310876  0.787749 0.356524  
1 1 1 77 13 6  o 1.91966  0.26116   4.59867      1.00268  5.7568       1.6907   3.97035      1.24532  1.75664  0.471331  1.57497  0.395558  
1 1 1 77 13 7  o 0.627661 0.29397   -0.144085    0.923618 1.57079      1.5752   -1.04257     1.14019  0.922585 0.413165  0.588231 0.287991  
1 1 1 77 13 8  o 0.924409 0.361215  1.41429      0.966492 2.26318      1.63981  0.962429     1.19638  0.9998   0.436029  0.825432 0.365464  
1 1 1 77 13 9  f 1.50827  0.330078  3.32222      0.968355 2.21423      1.64719  3.90738      1.19706  0.974232 0.430407  1.53499  0.389207  
1 1 1 77 13 10 o 1.39329  0.36002   3.02687      1.01014  3.48843      1.67832  2.7647       1.26491  1.18599  0.472285  1.18283  0.422145  
1 1 1 77 13 11 o 1.5728   0.32612   3.57728      0.991407 2.58251      1.67532  4.11338      1.22987  1.01846  0.442421  1.56893  0.39253   
1 1 1 77 13 12 f 2.17528  0.275701  6.398        1.19945  5.87069      1.85828  6.77459      1.5704   1.45562  0.512451  1.93666  0.417357  
1 1 1 77 13 13 o 0.601713 0.291748  -0.296701    1.09833  -0.759409    1.58488  0.13086      1.52349  0.631418 0.31449   0.681688 0.333548  
1 1 1 77 14 0  o 0.697827 0.445031  0.979996     1.33279  0.979996     1.33279  0.979996     1.33279  0.697869 0.409208  ?        ?         
1 1 1 77 14 1  o 0.94481  0.361553  1.4208       0.956576 0.30566      1.35153  2.54015      1.35408  0.766463 0.357998  1.13942  0.431865  
1 1 1 77 14 2  o 2.43628  0.212047  6.90554      1.03321  5.39504      1.44692  8.47706      1.47586  1.83878  0.404398  2.55389  0.288944  
1 1 1 77 14 3  o 1.8461   0.270118  4.32298      0.99733  2.72703      1.4887   5.62249      1.34335  1.13399  0.446932  1.96431  0.354943  
1 1 1 77 14 4  o 1.13478  0.389806  2.23721      1.06961  1.47792      1.66458  2.7712       1.39595  0.90992  0.414263  1.1625   0.439114  
1 1 1 77 14 5  o 1.06731  0.389904  2.03558      1.08461  2.23906      1.57628  1.85263      1.49471  1.01151  0.434068  0.960777 0.417637  
1 1 1 77 14 6  o 0.621478 0.297208  -0.372252    1.03773  0.167547     1.58097  -0.780872    1.37553  0.758045 0.363554  0.651535 0.31836   
1 1 1 77 14 7  o 1.05453  0.382727  2.01401      1.04357  2.28752      1.62516  1.8221       1.36131  0.987383 0.432313  0.947985 0.404979  
1 1 1 77 14 8  o 0.734241 0.33075   0.506137     1.02337  -1.127       1.59379  1.65181      1.3349   0.662243 0.327245  0.928742 0.399032  
1 1 1 77 14 9  o 0.974242 0.361894  1.60272      0.93964  -0.0779064   1.59619  2.49398      1.16239  0.735218 0.355489  1.14949  0.405234  
1 1 1 77 14 10 o 0.608151 0.29033   -0.287018    0.979368 -1.54981     1.62023  0.440008     1.22938  0.630693 0.314666  0.733607 0.34218   
1 1 1 77 14 11 o 0.695795 0.317157  0.530534     0.982063 1.51389      1.7632   0.0882753    1.18246  0.813689 0.388716  0.659844 0.315963  
1 1 1 77 15 0  o 0.802195 0.483556  1.5967       1.3793   1.5967       1.3793   1.5967       1.3793   0.8769   0.446886  ?        ?         
1 1 1 77 15 1  o 0.659554 0.304337  0.0889322    0.939421 1.25598      1.30086  -1.18303     1.35807  0.871775 0.384158  0.62034  0.305508  
1 1 1 77 15 2  o 0.732831 0.328016  0.509115     0.991688 -0.0639893   1.33821  1.20721      1.47695  0.707893 0.338287  0.861247 0.391598  
1 1 1 77 15 3  o 0.874521 0.371379  1.28159      1.13279  1.62235      1.72661  1.02407      1.501    0.902206 0.414825  0.835443 0.385191  
1 1 1 77 15 4  o 0.87454  0.378269  1.32826      1.21477  1.20927      1.71106  1.44919      1.72491  0.852329 0.399361  0.877267 0.407688  
1 1 1 77 15 5  o 0.880041 0.37573   1.32941      1.17054  0.763386     1.75822  1.78001      1.56874  0.816083 0.389456  0.926809 0.413756  
1 1 1 77 15 6  o 1.06278  0.385677  2.02992      1.05969  2.34664      1.6424   1.80404      1.38702  1.00492  0.437319  0.951639 0.407734  
1 1 1 77 15 7  o 0.801148 0.348535  0.888805     1.04261  1.53356      1.65921  0.468096     1.34028  0.893758 0.409138  0.760993 0.355855  
1 1 1 77 15 8  o 0.911954 0.367427  1.48025      1.03105  3.23539      1.62586  0.299626     1.33347  1.1226   0.457887  0.730603 0.344768  
1 1 1 77 15 9  o 1.0388   0.38514   2.15029      1.06322  0.729238     1.59656  3.2827       1.42522  0.764079 0.366181  1.15222  0.441205  
1 1 1 77 15 10 o 0.772551 0.342141  1.07625      1.04949  0.840441     1.64183  1.23917      1.3647   0.73911  0.357917  0.778827 0.362206  
1 1 1 77 16 0  o 0.776139 0.487169  1.54058      1.53484  1.54058      1.53484  1.54058      1.53484  0.827319 0.457003  ?        ?         
1 1 1 77 16 1  o 0.936093 0.382764  1.57906      1.13897  1.47119      1.6438   1.67867      1.5796   0.889757 0.407276  0.917049 0.41213   
1 1 1 77 16 2  o 0.597943 0.288242  -0.560102    1.02589  -1.45672     1.31097  0.856365     1.64775  0.590479 0.292973  0.824561 0.387387  
1 1 1 77 16 3  o 0.886795 0.377142  1.33157      1.17126  2.74161      1.6153   -0.231726    1.70082  1.07587  0.449456  0.739291 0.359881  
1 1 1 77 16 4  o 1.09424  0.402193  2.27898      1.15558  2.49192      1.60349  2.04889      1.66684  1.02816  0.439388  0.955968 0.426643  
1 1 1 77 16 5  o 0.865135 0.370945  1.28058      1.14949  -0.265568    1.74011  2.47766      1.53113  0.729132 0.356695  1.02591  0.43352   
1 1 1 77 16 6  o 0.609255 0.294511  -0.497275    1.09296  -1.71466     1.62899  0.499417     1.47397  0.621967 0.310983  0.758406 0.359875  
1 1 1 77 16 7  o 1.34885  0.396073  3.37999      1.1379   2.91197      1.69513  3.76385      1.53519  0.994665 0.438391  1.19585  0.45791   
1 1 1 77 16 8  o 0.594076 0.287482  -0.293447    1.05217  -0.686491    1.64422  -0.0208771   1.36924  0.641514 0.319631  0.657269 0.320478  
1 1 1 77 17 0  o 0.625144 0.430731  0.476317     1.68296  0.476317     1.68296  0.476317     1.68296  0.585919 0.390594  ?        ?         
1 1 1 77 17 1  o 0.661877 0.313033  -0.0316893   1.10702  1.09254      1.49507  -1.39616     1.64708  0.82328  0.381426  0.642629 0.320148  
1 1 1 77 17 2  o 0.857448 0.371441  1.32031      1.1747   2.35044      1.67612  0.325906     1.64681  0.960174 0.428194  0.751511 0.362972  
1 1 1 77 17 3  o 0.804541 0.35475   1.05183      1.11165  -0.259131    1.58634  2.31678      1.55825  0.694824 0.340065  0.958407 0.421445  
1 1 1 77 17 4  o 0.876851 0.372578  1.5452       1.14126  1.45282      1.76191  1.61197      1.49799  0.822653 0.391827  0.850961 0.389216  
1 1 1 77 17 5  o 0.599761 0.291722  -0.400225    1.11344  -1.2911      1.62613  0.386112     1.52774  0.614254 0.307211  0.708611 0.343737  
1 1 1 77 17 6  o 0.714635 0.328344  0.702782     1.07957  0.0354269    1.5942   1.26804      1.4672   0.680047 0.334973  0.778129 0.365565  
1 1 1 77 18 0  o 0.742215 0.487046  1.85382      1.7444   1.85382      1.7444   1.85382      1.7444   0.814407 0.472303  ?        ?         
1 1 1 77 18 1  o 0.631513 0.305697  -0.12308     1.19337  -1.35257     1.90088  0.676721     1.53315  0.634527 0.320021  0.72356  0.349601  
1 1 1 77 18 2  o 0.596229 0.293693  -0.60371     1.22189  -1.23645     2.0044   -0.229524    1.54141  0.647917 0.326841  0.658733 0.324621  
1 1 1 78 0  0  o 0.825144 0.479704  1.10332      1.27749  1.10332      1.27749  1.10332      1.27749  0.816358 0.426706  ?        ?         
1 1 1 78 0  1  o 0.433583 0.300901  -0.475785    0.845396 -0.475785    0.845396 -0.475785    0.845396 0.347292 0.243231  ?        ?         
1 1 1 78 0  2  f 1.59171  0.313134  2.93338      0.886058 2.93338      0.886058 2.93338      0.886058 1.66104  0.194666  ?        ?         
1 1 1 78 0  3  o 1.82298  0.270985  3.67148      0.922684 3.67148      0.922684 3.67148      0.922684 1.87327  0.177825  ?        ?         
1 1 1 78 0  4  o 1.68311  0.303306  3.23214      0.92177  3.23214      0.92177  3.23214      0.92177  1.74753  0.191759  ?        ?         
1 1 1 78 0  5  o 4.10041  0.142863  17.1014      1.16837  17.1014      1.16837  17.1014      1.16837  4.11791  0.100448  ?        ?         
1 1 1 78 0  6  o 0.492073 0.328777  -0.102926    0.854645 -0.102926    0.854645 -0.102926    0.854645 0.41288  0.276016  ?        ?         
1 1 1 78 0  7  o 1.99054  0.247506  4.30527      0.951009 4.30527      0.951009 4.30527      0.951009 2.03478  0.167871  ?        ?         
1 1 1 78 0  8  o 0.469135 0.326147  -0.589396    1.02463  -0.589396    1.02463  -0.589396    1.02463  0.377103 0.265158  ?        ?         
1 1 1 78 0  9  o 1.50316  0.399353  2.89654      1.03483  2.89654      1.03483  2.89654      1.03483  1.61896  0.242277  ?        ?         
1 1 1 78 0  10 o 0.773156 0.436655  1.02343      1.02051  1.02343      1.02051  1.02343      1.02051  0.785759 0.387315  ?        ?         
1 1 1 78 0  11 o 0.949115 0.469275  1.58743      1.0606   1.58743      1.0606   1.58743      1.0606   1.04202  0.388175  ?        ?         
1 1 1 78 0  12 o 0.63179  0.399491  0.458949     1.05391  0.458949     1.05391  0.458949     1.05391  0.580519 0.352514  ?        ?         
1 1 1 78 0  13 o 0.902474 0.465957  1.47434      1.06829  1.47434      1.06829  1.47434      1.06829  0.979107 0.396293  ?        ?         
1 1 1 78 0  14 o 0.548791 0.369776  -0.0690043   1.12723  -0.0690043   1.12723  -0.0690043   1.12723  0.470068 0.314953  ?        ?         
1 1 1 78 0  15 o 3.00495  0.284066  10.1215      1.67215  10.1215      1.67215  10.1215      1.67215  3.09609  0.192659  ?        ?         
1 1 1 78 0  16 o 1.45676  0.590464  3.90229      1.67627  3.90229      1.67627  3.90229      1.67627  1.73518  0.392293  ?        ?         
1 1 1 78 0  17 o 0.573192 0.397176  -0.244289    1.46391  -0.244289    1.46391  -0.244289    1.46391  0.493036 0.339103  ?        ?         
1 1 1 78 0  18 o 0.511792 0.366593  -1.06117     1.56407  -1.06117     1.56407  -1.06117     1.56407  0.421315 0.303239  ?        ?         
1 1 1 78 0  19 o 0.831875 0.500589  1.74327      1.47245  1.74327      1.47245  1.74327      1.47245  0.915819 0.462848  ?        ?         
1 1 1 78 0  20 o 0.524151 0.37042   -0.430124    1.45408  -0.430124    1.45408  -0.430124    1.45408  0.450569 0.316544  ?        ?         
1 1 1 78 0  21 o 1.06923  0.576232  3.14376      1.68724  3.14376      1.68724  3.14376      1.68724  1.34225  0.485731  ?        ?         
1 1 1 78 0  22 o 0.468737 0.339025  -0.876226    1.4695   -0.876226    1.4695   -0.876226    1.4695   0.39628  0.28641   ?        ?         
1 1 1 78 1  0  o 3.3242   0.155608  11.2986      1.02938  11.2986      1.02938  11.2986      1.02938  3.34284  0.109135  ?        ?         
1 1 1 78 1  1  o 1.55341  0.203078  2.54549      0.630926 3.77603      0.902058 1.36698      0.882783 1.87193  0.240943  1.0773   0.354216  
1 1 1 78 1  2  o 1.03905  0.287144  1.23949      0.616193 1.06552      0.871254 1.4136       0.871602 0.980375 0.350306  1.09214  0.3517    
1 1 1 78 1  3  o 0.899817 0.298289  0.899114     0.626025 0.843399     0.886949 0.954424     0.883726 0.916366 0.348879  0.947746 0.351179  
1 1 1 78 1  4  o 0.616707 0.268101  0.0176937    0.616083 0.0197851    0.863763 0.015528     0.878981 0.714617 0.314012  0.719105 0.31637   
1 1 1 78 1  5  o 1.39229  0.22892   2.08444      0.637447 1.95976      0.895662 2.21242      0.907424 1.27201  0.34385   1.35763  0.335658  
1 1 1 78 1  6  o 1.80574  0.183967  3.42555      0.664392 2.34542      0.957346 4.42913      0.922792 1.38853  0.345668  2.02801  0.227512  
1 1 1 78 1  7  o 0.796361 0.302712  0.609852     0.666876 0.0534876    0.976821 1.09552      0.912655 0.75182  0.331888  0.981152 0.357738  
1 1 1 78 1  8  o 0.754974 0.306324  0.430238     0.72373  0.320573     0.996782 0.552507     1.05251  0.803673 0.345037  0.863867 0.361962  
1 1 1 78 1  9  o 1.83625  0.206716  3.62023      0.759167 2.64941      1.09838  4.5082       1.05047  1.43254  0.377881  2.00746  0.261641  
1 1 1 78 1  10 o 1.71682  0.219661  3.2073       0.754235 2.93023      1.08738  3.46421      1.04706  1.51552  0.362987  1.69356  0.320782  
1 1 1 78 1  11 o 2.94613  0.147087  9.03354      0.866672 10.0719      1.26865  8.12485      1.18676  3.05276  0.207787  2.73245  0.217161  
1 1 1 78 1  12 o 0.7403   0.308855  0.376615     0.761195 0.658739     1.09449  0.112315     1.05935  0.875299 0.368038  0.767284 0.341342  
1 1 1 78 1  13 o 2.95601  0.165732  9.25265      0.979814 10.2269      1.3589   8.19763      1.41408  3.03908  0.223571  2.66919  0.26489   
1 1 1 78 1  14 o 0.948181 0.348479  1.15703      0.867516 0.556558     1.43175  1.50537      1.09049  0.880263 0.394065  1.03885  0.389071  
1 1 1 78 1  15 o 0.832516 0.351065  0.707988     1.00064  -1.73903     1.53828  2.50296      1.31748  0.666071 0.328075  1.24116  0.432012  
1 1 1 78 1  16 o 1.12557  0.403258  1.98359      1.15524  2.4433       1.54355  1.39816      1.74189  1.16886  0.456536  0.987518 0.438626  
1 1 1 78 1  17 o 0.923742 0.368928  1.18889      1.02685  3.02704      1.40431  -0.923138    1.5053   1.31359  0.446759  0.705108 0.341777  
1 1 1 78 1  18 o 0.592727 0.287563  -0.814154    1.06986  -1.4208      1.45605  -0.102336    1.57722  0.634051 0.313186  0.752578 0.361462  
1 1 1 78 1  19 o 0.729546 0.331847  0.444613     1.06295  0.674428     1.4478   0.175892     1.56557  0.793534 0.370598  0.754452 0.361818  
1 1 1 78 1  20 o 1.07419  0.405446  2.23118      1.18933  2.73889      1.93461  1.92273      1.50795  1.01418  0.455921  0.956583 0.417648  
1 1 1 78 1  21 o 0.619126 0.298808  -0.232414    1.11053  0.429156     1.51623  -0.99802     1.6311   0.719241 0.34754   0.635947 0.317066  
1 1 1 78 2  0  o 0.577479 0.368372  0.272341     0.913679 0.272341     0.913679 0.272341     0.913679 0.514674 0.320228  ?        ?         
1 1 1 78 2  1  o 2.06365  0.155784  4.40765      0.642968 3.85066      0.9019   4.98328      0.916873 1.88629  0.239067  2.16354  0.211892  
1 1 1 78 2  2  o 1.13176  0.28559   1.48372      0.646852 1.56537      0.89344  1.39378      0.937741 1.13506  0.35488   1.07851  0.365076  
1 1 1 78 2  3  o 2.03629  0.170357  4.32497      0.693794 4.72942      0.962817 3.88813      1.00062  2.0946   0.229833  1.87582  0.266716  
1 1 1 78 2  4  o 1.10995  0.281105  1.42816      0.624991 0.380487     0.870479 2.54289      0.897899 0.788262 0.329665  1.4676   0.314987  
1 1 1 78 2  5  o 1.31738  0.257447  1.96148      0.654114 1.86299      0.899787 2.07188      0.952583 1.22913  0.349438  1.29174  0.357041  
1 1 1 78 2  6  o 2.55171  0.144941  6.7305       0.739696 7.15384      1.02471  6.26989      1.06886  2.5942   0.197501  2.41011  0.221746  
1 1 1 78 2  7  o 1.785    0.203591  3.40781      0.726818 3.20558      1.07404  3.57866      0.987193 1.61758  0.34248   1.77956  0.27737   
1 1 1 78 2  8  o 3.33551  0.133209  11.4768      0.888642 12.8609      1.16595  9.55831      1.37267  3.50061  0.166535  2.95252  0.232456  
1 1 1 78 2  9  o 0.752099 0.306537  0.444167     0.728126 1.32116      1.04985  -0.368678    1.01072  1.03224  0.38271   0.683502 0.315497  
1 1 1 78 2  10 o 2.90935  0.141134  8.78373      0.821218 9.53384      1.19055  8.10289      1.13425  2.97773  0.199909  2.73816  0.207119  
1 1 1 78 2  11 o 2.6773   0.166882  7.55677      0.893588 7.77141      1.41437  7.41417      1.15281  2.60686  0.271278  2.60115  0.221597  
1 1 1 78 2  12 o 0.654902 0.297339  -0.132411    0.844645 -1.4896      1.31799  0.813453     1.10029  0.646658 0.315147  0.895578 0.372335  
1 1 1 78 2  13 o 1.07263  0.347857  1.54161      0.851567 1.97416      1.35078  1.25632      1.09703  1.13471  0.430971  0.977963 0.384224  
1 1 1 78 2  14 o 1.20978  0.374062  2.10258      0.996332 2.82321      1.51471  1.553        1.32277  1.27705  0.461333  1.02532  0.414902  
1 1 1 78 2  15 o 0.788075 0.344695  0.484673     1.03098  0.807978     1.48586  0.184504     1.43171  0.896074 0.401285  0.810414 0.374619  
1 1 1 78 2  16 o 0.800596 0.35034   0.561646     1.06609  1.78568      1.58017  -0.460978    1.44433  1.0324   0.438532  0.736604 0.351873  
1 1 1 78 2  17 o 0.660315 0.309396  -0.133883    1.02711  0.490028     1.55373  -0.618174    1.36889  0.812678 0.380742  0.681197 0.329341  
1 1 1 78 2  18 o 0.537002 0.265884  -1.40281     1.06531  -2.39582     1.45661  -0.260798    1.56207  0.569868 0.286744  0.723552 0.350163  
1 1 1 78 2  19 o 0.684088 0.320359  0.0779518    1.09566  -0.462931    1.49731  0.701401     1.60754  0.694357 0.33791   0.80629  0.379915  
1 1 1 78 2  20 o 0.794448 0.35423   0.951378     1.14668  0.373129     1.73286  1.40183      1.52942  0.758878 0.367527  0.851544 0.391065  
1 1 1 78 3  0  o 0.635562 0.392879  0.507303     0.960358 0.507303     0.960358 0.507303     0.960358 0.590837 0.346956  ?        ?         
1 1 1 78 3  1  f 0.683775 0.286801  0.229004     0.66193  0.544975     0.912565 -0.121819    0.961577 0.834814 0.342194  0.715427 0.321534  
1 1 1 78 3  2  o 1.4897   0.244968  2.42874      0.729857 2.60597      1.00227  2.22866      1.06493  1.45705  0.348182  1.32101  0.381652  
1 1 1 78 3  3  f 0.959833 0.307099  1.07533      0.665338 1.14037      0.904621 0.998686     0.981995 0.99031  0.356642  0.957333 0.366331  
1 1 1 78 3  4  o 1.19759  0.274875  1.6615       0.644801 1.79739      0.899804 1.51805      0.924467 1.20061  0.352099  1.10483  0.362483  
1 1 1 78 3  5  o 2.74811  0.135366  7.78568      0.744003 7.2065       0.997075 8.51329      1.11756  2.60462  0.191405  2.82535  0.197774  
1 1 1 78 3  6  o 1.46161  0.230354  2.33598      0.673376 1.91601      0.947261 2.76501      0.957415 1.22457  0.361948  1.50652  0.326934  
1 1 1 78 3  7  o 0.743563 0.298998  0.455909     0.680887 0.982607     0.994037 -0.00963802  0.934553 0.940853 0.366596  0.716065 0.319522  
1 1 1 78 3  8  o 1.4613   0.265739  2.46417      0.747959 1.35901      1.09312  3.43711      1.02565  1.04204  0.389683  1.68977  0.315215  
1 1 1 78 3  9  o 2.57387  0.151426  6.91506      0.7795   8.90117      1.18544  5.40209      1.03465  2.86924  0.206577  2.21195  0.233876  
1 1 1 78 3  10 o 1.94912  0.195421  4.08404      0.761799 3.48997      1.06614  4.70376      1.08891  1.68302  0.328452  2.02971  0.268243  
1 1 1 78 3  11 o 1.95942  0.22659   4.26724      0.887971 3.77124      1.42362  4.58309      1.13605  1.60722  0.433074  1.97031  0.288292  
1 1 1 78 3  12 f 0.962456 0.348008  1.20167      0.862113 1.12273      1.41106  1.24869      1.089    0.966272 0.412537  0.975609 0.38297   
1 1 1 78 3  13 o 2.19016  0.212017  5.35512      0.928703 3.69538      1.4786   6.43652      1.1935   1.50727  0.453629  2.34931  0.25401   
1 1 1 78 3  14 o 1.07784  0.386387  1.74204      1.06074  0.784751     1.48291  2.74509      1.51793  0.893326 0.400449  1.24149  0.460207  
1 1 1 78 3  15 o 0.589569 0.28469   -0.885268    1.01124  -0.706888    1.43657  -1.06048     1.42375  0.714002 0.343428  0.68134  0.330923  
1 1 1 78 3  16 o 1.73842  0.329536  4.13647      1.10419  5.29061      1.6386   3.17646      1.49445  1.72716  0.464278  1.27307  0.458402  
1 1 1 78 3  17 o 0.832396 0.356401  0.988538     1.05849  0.960729     1.66876  1.00726      1.36916  0.849353 0.397135  0.845121 0.381531  
1 1 1 78 3  18 o 0.514019 0.255283  -1.44719     1.00758  -1.52912     1.43778  -1.36812     1.41241  0.609039 0.302813  0.613728 0.304426  
1 1 1 78 3  19 o 0.665146 0.313272  -0.0224552   1.09071  -0.42824     1.48967  0.446468     1.60138  0.688188 0.335325  0.772037 0.369208  
1 1 1 78 3  20 o 0.592042 0.28961   -0.5012      1.14663  -0.487182    1.74072  -0.511944    1.52398  0.660821 0.329198  0.638838 0.31672   
1 1 1 78 4  0  o 1.78263  0.308921  3.66317      1.0022   3.66317      1.0022   3.66317      1.0022   1.8553   0.195987  ?        ?         
1 1 1 78 4  1  o 1.37535  0.261057  2.15832      0.692101 2.98457      0.996476 1.38827      0.961993 1.57011  0.328002  1.05863  0.369091  
1 1 1 78 4  2  o 0.867381 0.313868  0.827202     0.701379 0.611156     0.956898 1.07803      1.03105  0.85141  0.349938  0.974588 0.374668  
1 1 1 78 4  3  o 1.45363  0.232459  2.31352      0.67582  2.16607      0.912998 2.49224      1.00514  1.31677  0.343221  1.40358  0.357098  
1 1 1 78 4  4  o 1.29729  0.259719  1.93375      0.650071 1.8723       0.884114 2.00607      0.95914  1.21748  0.346464  1.24906  0.362632  
1 1 1 78 4  5  o 1.13238  0.292984  1.53545      0.668427 0.632782     0.917783 2.5551       0.975446 0.843317 0.344006  1.42724  0.345034  
1 1 1 78 4  6  o 1.78537  0.202204  3.43011      0.722017 3.51243      1.01913  3.34716      1.02305  1.71448  0.308448  1.66417  0.318744  
1 1 1 78 4  7  o 0.898174 0.313175  0.941332     0.692608 0.418822     0.999388 1.42422      0.960745 0.811397 0.346823  1.05754  0.368838  
1 1 1 78 4  8  o 1.15021  0.307397  1.62033      0.720918 1.3832       1.09128  1.80395      0.960296 1.04236  0.389445  1.17261  0.368178  
1 1 1 78 4  9  o 1.33985  0.315937  2.22095      0.833837 1.75316      1.31729  2.5337       1.07709  1.12062  0.425602  1.37349  0.379666  
1 1 1 78 4  10 o 0.709427 0.306569  0.243962     0.796502 0.325596     1.25391  0.188742     1.03129  0.829084 0.370028  0.760155 0.337587  
1 1 1 78 4  11 o 1.19484  0.344056  1.911        0.866866 0.369516     1.42909  2.80838      1.09037  0.853473 0.387299  1.42187  0.377159  
1 1 1 78 4  12 o 1.18375  0.33952   1.89766      0.845798 0.517747     1.36398  2.75975      1.0781   0.852246 0.382991  1.39433  0.377396  
1 1 1 78 4  13 o 0.579343 0.275593  -0.595812    0.869212 -0.840574    1.39428  -0.440215    1.11168  0.698455 0.336532  0.671494 0.316263  
1 1 1 78 4  14 o 0.710116 0.323865  0.0416686    1.02714  0.143469     1.42349  -0.0689036   1.48356  0.798707 0.370863  0.784187 0.368227  
1 1 1 78 4  15 f 1.25367  0.372574  2.39486      1.00166  1.34724      1.48225  3.2754       1.35891  0.938183 0.411803  1.36443  0.439122  
1 1 1 78 4  16 o 0.793841 0.347649  0.763729     1.05142  2.2661       1.55767  -0.493667    1.42503  1.03185  0.436706  0.692776 0.335126  
1 1 1 78 4  17 o 0.569301 0.278121  -0.893974    1.04835  -0.577055    1.63245  -1.11641     1.36764  0.701498 0.343715  0.622595 0.30662   
1 1 1 78 4  18 o 0.633766 0.299227  -0.192284    1.00696  0.758341     1.45278  -1.07129     1.39698  0.803497 0.373691  0.632821 0.311683  
1 1 1 78 4  19 o 0.664654 0.315137  0.133997     1.12827  -0.296037    1.68161  0.48608      1.52159  0.68709  0.338707  0.731497 0.352234  
1 1 1 78 5  0  o 0.940752 0.464429  1.55576      1.03819  1.55576      1.03819  1.55576      1.03819  1.0328   0.383799  ?        ?         
1 1 1 78 5  1  o 0.587362 0.267422  -0.235947    0.693835 -0.0355964   0.977779 -0.439153    0.98472  0.724321 0.324918  0.665138 0.308694  
1 1 1 78 5  2  o 1.17287  0.295849  1.65245      0.694358 2.03343      0.93128  1.17553      1.04195  1.26129  0.354516  0.99324  0.37814   
1 1 1 78 5  3  o 0.793636 0.299134  0.647012     0.646637 0.862077     0.885444 0.401224     0.946581 0.894757 0.346535  0.796912 0.338984  
1 1 1 78 5  4  o 0.546754 0.251597  -0.313365    0.636573 -1.34488     0.882133 0.807473     0.919533 0.520414 0.254443  0.884834 0.350455  
1 1 1 78 5  5  o 1.25129  0.275371  1.84223      0.670512 2.29559      0.938471 1.36947      0.958335 1.34521  0.346722  1.04072  0.367843  
1 1 1 78 5  6  o 1.13879  0.305821  1.58555      0.711399 1.28528      1.02562  1.86396      0.987594 1.01556  0.37792   1.18809  0.373441  
1 1 1 78 5  7  o 2.05657  0.17814   4.49548      0.732715 4.31443      1.063    4.65937      1.01135  1.93726  0.274358  2.03743  0.248193  
1 1 1 78 5  8  o 1.07643  0.334647  1.48753      0.795973 1.24516      1.3188   1.62642      0.998315 1.0039   0.411412  1.0983   0.376656  
1 1 1 78 5  9  o 1.05448  0.352248  1.48075      0.872999 1.06518      1.41238  1.73769      1.11055  0.963683 0.412122  1.10635  0.39548   
1 1 1 78 5  10 o 0.953393 0.344138  1.18545      0.84273  0.81573      1.38219  1.40422      1.06321  0.908173 0.398153  1.00879  0.382585  
1 1 1 78 5  11 o 1.26273  0.326856  2.10943      0.831681 0.857986     1.31452  2.94476      1.07396  0.896483 0.390688  1.45222  0.36891   
1 1 1 78 5  12 o 1.66859  0.259301  3.29726      0.865331 4.14471      1.42053  2.79724      1.09115  1.63507  0.429016  1.3882   0.381436  
1 1 1 78 5  13 o 0.90921  0.363255  1.10274      0.995838 1.46621      1.40598  0.736841     1.41069  0.987329 0.416233  0.872485 0.390855  
1 1 1 78 5  14 o 0.965665 0.373494  1.42067      1.02785  1.19863      1.49701  1.61871      1.41376  0.920308 0.40797   0.986916 0.416785  
1 1 1 78 5  15 f 0.539937 0.264784  -1.0923      0.972391 -0.320688    1.43014  -1.75571     1.32608  0.710877 0.342104  0.583842 0.290358  
1 1 1 78 5  16 o 0.669399 0.313777  0.00888843   1.06024  -0.37214     1.61896  0.295021     1.40295  0.717102 0.349442  0.750251 0.353921  
1 1 1 78 5  17 o 0.895166 0.365694  1.33389      1.03869  1.4236       1.56439  1.26317      1.38905  0.8879   0.403532  0.869237 0.388662  
1 1 1 78 5  18 o 0.608212 0.293791  -0.431393    1.07999  0.953064     1.46711  -2.06905     1.59564  0.794726 0.371895  0.593203 0.298496  
1 1 1 78 6  0  o 0.859137 0.468323  1.34967      1.12483  1.34967      1.12483  1.34967      1.12483  0.908985 0.410246  ?        ?         
1 1 1 78 6  1  o 2.0365   0.179832  4.40372      0.732455 4.18462      0.947487 4.72911      1.15467  1.93835  0.244405  2.02345  0.285321  
1 1 1 78 6  2  o 1.08268  0.312011  1.44073      0.712624 1.82558      0.985709 1.01932      1.03145  1.1774   0.373499  0.948283 0.372563  
1 1 1 78 6  3  o 1.11023  0.296737  1.49345      0.671749 1.35014      0.947081 1.63855      0.95294  1.03271  0.365609  1.1211   0.368022  
1 1 1 78 6  4  o 0.992784 0.300641  1.195        0.64811  0.840175     0.886772 1.60186      0.949579 0.883835 0.345867  1.10811  0.367373  
1 1 1 78 6  5  o 0.894967 0.308231  0.948206     0.669154 0.408102     0.924884 1.54147      0.969334 0.785631 0.334658  1.08333  0.371174  
1 1 1 78 6  6  o 0.949387 0.331376  1.1154       0.775622 -0.164376    1.15807  2.15647      1.0445   0.743015 0.340833  1.25426  0.382029  
1 1 1 78 6  7  o 2.983    0.156982  9.39332      0.936557 8.16211      1.53703  10.1204      1.18115  2.61327  0.294082  3.05504  0.193312  
1 1 1 78 6  8  o 2.5325   0.183674  6.92951      0.930308 7.88704      1.59983  6.44029      1.14353  2.52275  0.31708   2.37956  0.240282  
1 1 1 78 6  9  o 0.795011 0.331313  0.599702     0.874415 -0.216906    1.42252  1.09565      1.10859  0.774867 0.363257  0.93159  0.378725  
1 1 1 78 6  10 o 1.57278  0.286125  3.05577      0.866763 2.94525      1.41111  3.12273      1.09839  1.32374  0.447839  1.49335  0.36934   
1 1 1 78 6  11 o 1.449    0.309954  2.70539      0.872106 1.24293      1.36202  3.72164      1.13537  0.955008 0.40644   1.65326  0.353664  
1 1 1 78 6  12 o 0.869515 0.344122  0.961306     0.88597  1.06366      1.43789  0.898663     1.12487  0.92174  0.405084  0.872147 0.370213  
1 1 1 78 6  13 o 1.53268  0.347568  3.30264      1.0411   3.66143      1.46717  2.93875      1.47756  1.42278  0.456116  1.24248  0.454969  
1 1 1 78 6  14 o 0.787204 0.343761  0.726388     1.022    2.85966      1.49788  -1.13169     1.39793  1.16107  0.450503  0.641275 0.31544   
1 1 1 78 6  15 o 0.585597 0.282427  -0.591308    0.98783  -0.765467    1.42914  -0.431977    1.36694  0.662267 0.323814  0.678453 0.328203  
1 1 1 78 6  16 o 0.542495 0.268797  -1.39885     1.09365  -0.206603    1.50511  -2.73248     1.59185  0.715386 0.345778  0.578303 0.291675  
1 1 1 78 6  17 o 1.0575   0.391521  2.1469       1.09797  2.45923      1.56328  1.84284      1.54246  1.0027   0.431348  0.915857 0.409533  
1 1 1 78 6  18 o 0.741056 0.339485  0.880581     1.14471  0.388153     1.61798  1.37408      1.61974  0.705275 0.344773  0.784204 0.374138  
1 1 1 78 7  0  o 0.779392 0.438135  1.09062      1.02162  1.09062      1.02162  1.09062      1.02162  0.805295 0.388845  ?        ?         
1 1 1 78 7  1  o 2.09727  0.191305  4.72881      0.802436 5.87319      1.09594  3.40633      1.17814  2.29256  0.239022  1.60891  0.373074  
1 1 1 78 7  2  o 1.22026  0.294609  1.81313      0.711887 1.88464      0.934276 1.71413      1.09924  1.19274  0.360916  1.11785  0.394074  
1 1 1 78 7  3  o 1.35491  0.27158   2.17012      0.709978 2.93485      0.949258 1.1992       1.0696   1.53767  0.319321  0.980002 0.380598  
1 1 1 78 7  4  o 1.11692  0.316505  1.58091      0.73934  1.19688      1.12174  1.87588      0.983092 0.97697  0.387035  1.17123  0.373151  
1 1 1 78 7  5  o 1.28363  0.313716  2.08044      0.799683 2.01895      1.2257   2.126        1.0552   1.16784  0.415676  1.22809  0.386011  
1 1 1 78 7  6  o 0.715932 0.310223  0.269952     0.819821 0.688024     1.28575  -0.0164622   1.06422  0.881749 0.385307  0.729037 0.331731  
1 1 1 78 7  7  o 2.9265   0.162105  9.12721      0.948802 8.67227      1.54232  9.4042       1.20347  2.68152  0.287583  2.91582  0.206369  
1 1 1 78 7  8  o 0.490936 0.241787  -1.37759     0.84668  -1.60663     1.48023  -1.26622     1.03221  0.662692 0.325529  0.566112 0.276431  
1 1 1 78 7  9  o 0.873426 0.342008  0.95509      0.86737  0.871345     1.41489  1.00551      1.09785  0.901515 0.398512  0.900491 0.372997  
1 1 1 78 7  10 o 0.720673 0.314603  0.318082     0.855383 -0.685187    1.44965  0.853978     1.05948  0.722661 0.346957  0.862635 0.362381  
1 1 1 78 7  11 o 0.791118 0.333541  0.632366     0.902938 0.236383     1.55641  0.833251     1.10856  0.824984 0.384882  0.856639 0.36569   
1 1 1 78 7  12 o 0.866129 0.345339  1.02339      0.898356 1.12951      1.39773  0.948706     1.17264  0.901942 0.397731  0.862217 0.372278  
1 1 1 78 7  13 o 1.46859  0.346286  3.16431      1.00175  3.63701      1.45153  2.73443      1.38424  1.35756  0.454207  1.16763  0.438145  
1 1 1 78 7  14 o 0.619923 0.295594  -0.325664    1.00739  0.115242     1.4676   -0.718504    1.3853   0.742233 0.354594  0.658632 0.32136   
1 1 1 78 7  15 o 1.23654  0.392065  2.67872      1.08624  2.73794      1.53941  2.61999      1.53296  1.08583  0.444659  1.06638  0.441175  
1 1 1 78 7  16 o 0.686227 0.319485  0.192536     1.06542  0.848137     1.41784  -0.657811    1.61475  0.799383 0.370773  0.685914 0.337874  
1 1 1 78 7  17 o 0.516316 0.25764   -1.38594     1.08821  -0.590075    1.5535   -2.15269     1.52483  0.638829 0.317229  0.556186 0.28118   
1 1 1 78 8  0  o 0.439186 0.312487  -0.914816    1.08433  -0.914816    1.08433  -0.914816    1.08433  0.349183 0.251514  ?        ?         
1 1 1 78 8  1  o 2.75724  0.148631  7.99352      0.81962  7.92483      1.19016  8.05548      1.13038  2.66478  0.223313  2.70414  0.20901   
1 1 1 78 8  2  o 1.06799  0.338911  1.50698      0.811547 3.20864      1.33858  0.517982     1.02049  1.45808  0.43004   0.811732 0.348828  
1 1 1 78 8  3  o 2.87525  0.15997   8.77466      0.919909 8.12572      1.41532  9.24934      1.21046  2.63188  0.26888   2.89351  0.209169  
1 1 1 78 8  4  o 1.61926  0.257043  3.04883      0.832437 3.05922      1.25878  3.04076      1.10974  1.43087  0.415438  1.48254  0.374047  
1 1 1 78 8  5  o 0.775094 0.326117  0.525088     0.860278 0.536106     1.33198  0.517203     1.12683  0.854634 0.381404  0.821199 0.359763  
1 1 1 78 8  6  o 0.716461 0.312951  0.278845     0.847473 0.621628     1.3915   0.0767297    1.0685   0.869191 0.388814  0.734287 0.333659  
1 1 1 78 8  7  o 0.981237 0.349329  1.32601      0.865692 1.9161       1.42103  0.97777      1.09165  1.08376  0.433545  0.894847 0.371378  
1 1 1 78 8  8  o 0.976019 0.353927  1.32293      0.892249 1.31873      1.58616  1.32488      1.07918  0.97424  0.426823  0.96888  0.380949  
1 1 1 78 8  9  o 1.40877  0.326537  2.63889      0.902831 3.48284      1.46355  2.12045      1.14709  1.42515  0.455419  1.16057  0.403191  
1 1 1 78 8  10 o 1.57284  0.290873  3.12049      0.880556 2.26543      1.55776  3.52201      1.06746  1.11373  0.450427  1.61029  0.341793  
1 1 1 78 8  11 o 1.60023  0.29298   3.33064      0.902755 3.35321      1.50948  3.31807      1.1264   1.30216  0.461513  1.47566  0.379565  
1 1 1 78 8  12 f 0.595081 0.286138  -0.581288    0.995296 -1.19949     1.54185  -0.139658    1.30318  0.661506 0.325786  0.706468 0.336704  
1 1 1 78 8  13 o 1.45152  0.356458  3.2352       1.02864  3.66244      1.48922  2.84537      1.42251  1.30427  0.458794  1.14567  0.44018   
1 1 1 78 8  14 o 1.1944   0.394768  2.55386      1.09648  1.60714      1.4962   3.65215      1.61153  0.910382 0.405313  1.23965  0.47076   
1 1 1 78 8  15 o 0.635669 0.304632  -0.309555    1.10475  -0.978602    1.53754  0.404483     1.5884   0.656075 0.323526  0.766549 0.366853  
1 1 1 78 8  16 o 0.547667 0.270174  -0.953714    1.07491  0.192038     1.46917  -2.27358     1.57685  0.692474 0.336277  0.564118 0.285198  
1 1 1 78 9  0  o 1.76225  0.482966  4.41968      1.46951  4.41968      1.46951  4.41968      1.46951  1.96024  0.282071  ?        ?         
1 1 1 78 9  1  o 2.47429  0.180258  6.63445      0.892019 6.60899      1.69842  6.64415      1.04823  2.14634  0.410316  2.43725  0.215044  
1 1 1 78 9  2  o 1.11126  0.336361  1.66866      0.811393 2.45258      1.34131  1.21624      1.01898  1.22679  0.43502   0.952678 0.371174  
1 1 1 78 9  3  o 1.10382  0.331699  1.6403       0.790971 2.97507      1.34458  0.933971     0.978115 1.35737  0.436796  0.880439 0.356572  
1 1 1 78 9  4  f 0.768581 0.325781  0.519436     0.869027 0.136069     1.37064  0.777145     1.12378  0.797791 0.367928  0.858508 0.367393  
1 1 1 78 9  5  o 1.22141  0.35302   2.08754      0.910958 2.69042      1.35301  1.58763      1.23205  1.27015  0.43821   1.02588  0.405869  
1 1 1 78 9  6  o 0.799503 0.340684  0.606686     0.95908  -0.430281    1.52513  1.28501      1.2335   0.76096  0.363048  0.960156 0.396398  
1 1 1 78 9  7  o 1.82909  0.276751  4.06399      1.0124   3.76932      1.63176  4.24841      1.29091  1.4333   0.481581  1.72292  0.384489  
1 1 1 78 9  8  o 1.64251  0.271917  3.27325      0.893251 2.02827      1.50779  3.94648      1.10877  1.07943  0.440724  1.72153  0.333948  
1 1 1 78 9  9  o 0.705416 0.317766  0.199596     0.944599 -1.02908     1.60949  0.845167     1.16666  0.708532 0.345831  0.850137 0.369247  
1 1 1 78 9  10 o 0.570524 0.272288  -0.486968    0.859834 0.37012      1.45193  -0.949905    1.06707  0.787149 0.368652  0.582815 0.283949  
1 1 1 78 9  11 o 1.361    0.340819  2.73223      0.926541 2.90466      1.51648  2.62952      1.1704   1.15154  0.451955  1.20777  0.407857  
1 1 1 78 9  12 o 1.29301  0.381855  2.80373      1.05475  2.74422      1.49231  2.86314      1.49099  1.09964  0.442456  1.12339  0.445841  
1 1 1 78 9  13 o 0.910716 0.365038  1.39909      1.01026  0.697094     1.40673  2.14675      1.45177  0.79452  0.368824  0.999944 0.422321  
1 1 1 78 9  14 o 1.05357  0.386333  2.05989      1.0657   3.18095      1.58186  1.1282       1.44208  1.13476  0.455973  0.835895 0.38214   
1 1 1 78 9  15 o 0.761056 0.339354  0.928652     1.05247  1.08521      1.40855  0.730762     1.58363  0.777383 0.363904  0.746073 0.359275  
1 1 1 78 10 0  o 0.542872 0.372399  -0.173252    1.23094  -0.173252    1.23094  -0.173252    1.23094  0.465274 0.317489  ?        ?         
1 1 1 78 10 1  o 1.05389  0.36232   1.59046      0.924258 1.55499      1.37016  1.62007      1.25201  1.01313  0.417966  1.03059  0.408697  
1 1 1 78 10 2  o 0.616843 0.291552  -0.527385    0.958956 0.788835     1.5109   -1.41528     1.24094  0.895461 0.402712  0.612672 0.300072  
1 1 1 78 10 3  o 0.924836 0.33395   1.13845      0.793631 1.93507      1.3217   0.689276     0.992469 1.09133  0.423235  0.821711 0.348219  
1 1 1 78 10 4  o 2.37074  0.193505  6.20698      0.9175   4.33465      1.51758  7.28562      1.15185  1.63088  0.450595  2.52331  0.228242  
1 1 1 78 10 5  o 0.752492 0.32337   0.464135     0.876969 4.07708      1.60949  -1.06143     1.04586  1.512    0.477022  0.584308 0.283742  
1 1 1 78 10 6  o 2.02117  0.248547  4.81572      1.00471  3.88152      1.67974  5.33613      1.2537   1.42636  0.48861   2.05058  0.305695  
1 1 1 78 10 7  o 0.887544 0.358173  1.07175      0.982005 -1.21304     1.56541  2.55428      1.26098  0.689935 0.337705  1.22286  0.422933  
1 1 1 78 10 8  o 1.15906  0.376592  2.14898      0.997838 3.19834      1.71581  1.61272      1.22659  1.19735  0.477305  0.976854 0.397954  
1 1 1 78 10 9  o 1.62235  0.346402  3.82557      1.09095  5.85961      1.69132  2.37629      1.42765  1.77588  0.469124  1.08012  0.433527  
1 1 1 78 10 10 o 0.891723 0.373592  1.31517      1.12102  -0.0358219   1.53048  2.87898      1.64662  0.740264 0.355673  1.10241  0.456729  
1 1 1 78 10 11 o 0.755271 0.336249  0.649018     1.02969  0.677291     1.5069   0.624253     1.41031  0.79279  0.372057  0.781178 0.365193  
1 1 1 78 10 12 o 0.828541 0.352103  1.01978      1.01954  -0.0140622   1.43689  2.06801      1.44685  0.725415 0.347587  0.989634 0.419965  
1 1 1 78 10 13 o 0.559236 0.27458   -0.981125    1.05105  -0.254537    1.56103  -1.58368     1.42156  0.707579 0.344503  0.597626 0.297686  
1 1 1 78 10 14 o 0.840116 0.359049  1.38583      1.07083  3.36776      1.54819  -0.431941    1.48269  1.07804  0.44444   0.650042 0.32015   
1 1 1 78 11 0  o 0.700678 0.437736  0.871611     1.22116  0.871611     1.22116  0.871611     1.22116  0.688181 0.396898  ?        ?         
1 1 1 78 11 1  o 1.35385  0.358749  2.59761      0.987154 0.950161     1.4599   3.98538      1.3399   0.904613 0.40171   1.61375  0.413328  
1 1 1 78 11 2  o 0.710347 0.317674  0.197379     0.928336 1.28352      1.38227  -0.695048    1.25296  0.951533 0.407341  0.673941 0.323323  
1 1 1 78 11 3  o 1.32142  0.360966  2.50276      0.980696 2.97377      1.6168   2.22859      1.23353  1.24389  0.471776  1.16126  0.416633  
1 1 1 78 11 4  o 1.44414  0.358991  2.97679      1.0337   2.23521      1.70618  3.40686      1.29932  1.08169  0.457388  1.4498   0.422443  
1 1 1 78 11 5  o 0.770759 0.3249    0.634849     0.856513 -0.381344    1.54343  1.08705      1.0296   0.744825 0.357697  0.885597 0.363321  
1 1 1 78 11 6  o 1.01817  0.35008   1.58882      0.862886 3.23507      1.6022   0.916244     1.02409  1.22865  0.468573  0.834576 0.3537    
1 1 1 78 11 7  o 0.667705 0.303944  0.144764     0.895352 0.878036     1.62029  -0.177565    1.07427  0.849282 0.394855  0.662152 0.311581  
1 1 1 78 11 8  o 2.28363  0.246467  6.41509      1.12568  6.15168      1.76204  6.59673      1.46319  1.76842  0.484191  2.13998  0.341869  
1 1 1 78 11 9  o 0.811286 0.351883  0.928965     1.05673  0.989398     1.59535  0.881721     1.41055  0.836587 0.390052  0.81818  0.375666  
1 1 1 78 11 10 o 0.64253  0.307164  -0.285273    1.10588  -0.602175    1.61275  -0.00402316  1.51933  0.697661 0.341788  0.731699 0.352243  
1 1 1 78 11 11 o 1.08226  0.395903  2.16869      1.11858  0.594264     1.77915  3.19784      1.43843  0.808008 0.387069  1.21776  0.448613  
1 1 1 78 11 12 o 0.637826 0.302164  -0.127811    1.03536  -1.24469     1.50904  0.865546     1.42316  0.629751 0.312713  0.795523 0.369936  
1 1 1 78 11 13 o 0.606231 0.293003  -0.249809    1.08017  -1.38303     1.57957  0.745614     1.48043  0.601686 0.301721  0.73477  0.352249  
1 1 1 78 12 0  o 0.825524 0.479491  1.53472      1.27449  1.53472      1.27449  1.53472      1.27449  0.900704 0.434377  ?        ?         
1 1 1 78 12 1  o 0.992549 0.361834  1.53057      0.933642 1.16558      1.30837  1.90926      1.3327   0.894702 0.389844  1.02866  0.416374  
1 1 1 78 12 2  o 0.585069 0.282329  -0.716287    0.9905   -0.114336    1.42161  -1.2842      1.38084  0.738541 0.351857  0.633493 0.312046  
1 1 1 78 12 3  o 1.33256  0.365299  2.72912      1.0022   4.18806      1.65669  1.88706      1.25862  1.40434  0.484863  1.01984  0.407999  
1 1 1 78 12 4  o 0.969505 0.361241  1.50469      0.937681 0.933208     1.41767  1.94914      1.25022  0.847643 0.384944  1.02858  0.408245  
1 1 1 78 12 5  o 1.29988  0.356671  2.58949      0.954876 2.18716      1.65526  2.79016      1.169    1.00674  0.438577  1.25876  0.407501  
1 1 1 78 12 6  o 1.14187  0.381382  2.22358      1.02338  2.31502      1.6802   2.16966      1.29035  1.01051  0.441027  1.04986  0.415359  
1 1 1 78 12 7  f 0.697882 0.316061  0.336344     0.94698  -0.978484    1.53177  1.14977      1.20481  0.663664 0.326882  0.85312  0.372888  
1 1 1 78 12 8  o 0.719027 0.321085  0.487865     0.945304 1.59307      1.60656  -0.0974103   1.16911  0.898058 0.408358  0.673434 0.320004  
1 1 1 78 12 9  o 0.604733 0.285906  -0.27541     0.922732 -1.96096     1.5851   0.588559     1.13484  0.614208 0.307104  0.760284 0.345043  
1 1 1 78 12 10 f 1.21561  0.379366  2.53321      1.02161  0.541367     1.68382  3.69358      1.28518  0.788667 0.377504  1.40948  0.422662  
1 1 1 78 12 11 o 0.919792 0.371828  1.61967      1.06088  2.19754      1.62282  1.18841      1.40192  0.931204 0.418135  0.818925 0.375382  
1 1 1 78 12 12 o 0.705685 0.326613  0.633092     1.09266  2.23544      1.72246  -0.445918    1.41346  0.858557 0.401994  0.631291 0.31104   
1 1 1 78 13 0  o 0.593411 0.399071  0.349931     1.30151  0.349931     1.30151  0.349931     1.30151  0.545543 0.356267  ?        ?         
1 1 1 78 13 1  o 1.15135  0.369682  2.16853      0.963524 3.39779      1.40313  1.07162      1.32544  1.30309  0.446571  0.852246 0.380399  
1 1 1 78 13 2  o 2.40251  0.238741  7.02734      1.14716  3.69975      1.78476  9.36981      1.49745  1.21002  0.485114  2.6908   0.278253  
1 1 1 78 13 3  o 1.40101  0.364271  3.06184      1.03005  4.1777       1.62334  2.30977      1.3327   1.36747  0.479203  1.06563  0.421955  
1 1 1 78 13 4  o 0.830359 0.357256  1.024        1.07263  1.38637      1.62425  0.743753     1.42842  0.883172 0.404506  0.803962 0.372611  
1 1 1 78 13 5  o 0.788526 0.346071  0.824307     1.04656  0.556858     1.67718  0.994852     1.3393   0.793757 0.379175  0.825496 0.374691  
1 1 1 78 13 6  o 0.979322 0.378951  1.73207      1.05836  1.91951      1.59256  1.58381      1.41637  0.942825 0.41901   0.90852  0.400536  
1 1 1 78 13 7  o 0.90167  0.364173  1.35944      1.01635  1.82151      1.55751  1.01677      1.34128  0.939159 0.416254  0.833008 0.376761  
1 1 1 78 13 8  o 0.891561 0.360021  1.32436      0.993041 1.07057      1.6021   1.48269      1.26545  0.839972 0.391339  0.901544 0.387963  
1 1 1 78 13 9  o 2.32731  0.231038  6.65668      1.07539  5.6867       1.6779   7.3329       1.40097  1.6222   0.482232  2.28549  0.306491  
1 1 1 78 13 10 o 0.789625 0.352336  1.09054      1.13628  1.15771      1.61963  1.02543      1.59456  0.788131 0.375521  0.776343 0.370585  
1 1 1 78 13 11 o 1.30654  0.393548  3.35299      1.11256  4.57599      1.72035  2.47378      1.45864  1.17943  0.474854  0.932226 0.408854  
1 1 1 78 14 0  o 1.35928  0.53789   3.54782      1.40209  3.54782      1.40209  3.54782      1.40209  1.65153  0.339917  ?        ?         
1 1 1 78 14 1  o 0.841831 0.354674  1.11093      1.01981  0.0500711    1.47429  2.08426      1.41217  0.730529 0.350531  0.98858  0.416973  
1 1 1 78 14 2  o 0.876126 0.374398  1.30981      1.16412  3.44863      1.77329  -0.310023    1.54322  1.13982  0.473207  0.709383 0.344538  
1 1 1 78 14 3  o 0.771574 0.347955  0.681833     1.13575  2.17677      1.7404   -0.427041    1.49892  0.965576 0.433306  0.696052 0.338532  
1 1 1 78 14 4  o 0.702735 0.329381  0.133394     1.16762  -0.398907    1.70049  0.608231     1.60608  0.724641 0.354057  0.798205 0.377292  
1 1 1 78 14 5  o 1.41904  0.409121  3.53494      1.22499  2.21928      1.71993  4.88945      1.74515  0.979623 0.435396  1.44777  0.497853  
1 1 1 78 14 6  o 0.89857  0.372172  1.41477      1.09287  1.73761      1.60603  1.13637      1.49144  0.912514 0.41252   0.841766 0.386408  
1 1 1 78 14 7  o 1.73877  0.324863  4.393        1.08779  4.65026      1.62637  4.18476      1.46326  1.40631  0.480785  1.39887  0.456039  
1 1 1 78 14 8  o 1.02143  0.378989  2.06202      1.02993  1.30277      1.61403  2.58351      1.33766  0.811137 0.381755  1.03128  0.417267  
1 1 1 78 14 9  o 1.01223  0.38349   2.22301      1.06732  2.64132      1.61418  1.89804      1.42273  0.921329 0.415191  0.856327 0.387632  
1 1 1 78 15 0  o 1.50563  0.563169  4.30923      1.57512  4.30923      1.57512  4.30923      1.57512  1.83288  0.338254  ?        ?         
1 1 1 78 15 1  o 0.603914 0.292564  -0.64288     1.10031  -0.641222    1.61042  -0.644332    1.50689  0.692799 0.340069  0.678018 0.331746  
1 1 1 78 15 2  o 1.18531  0.395974  2.56907      1.10319  2.26673      1.51434  2.91098      1.61039  0.997042 0.426574  1.08463  0.450661  
1 1 1 78 15 3  o 0.625219 0.302982  -0.559055    1.18174  -0.201391    1.75945  -0.853009    1.59507  0.732809 0.358535  0.671398 0.330709  
1 1 1 78 15 4  o 1.01101  0.398557  2.06817      1.18414  2.53474      1.69049  1.61871      1.65919  0.990119 0.436906  0.879349 0.405262  
1 1 1 78 15 5  o 0.896844 0.375716  1.57596      1.1337   2.46129      1.75306  0.939536     1.48634  0.943767 0.428456  0.788072 0.369783  
1 1 1 78 15 6  o 0.804114 0.353943  1.18282      1.10126  -0.78452     1.65382  2.75012      1.47613  0.64994  0.323372  1.00101  0.424462  
1 1 1 78 15 7  o 0.969396 0.383025  2.09302      1.09595  2.71118      1.65248  1.60759      1.46434  0.922518 0.417668  0.816259 0.37791   
1 1 1 78 16 0  o 1.18594  0.59957   3.93682      1.74749  3.93682      1.74749  3.93682      1.74749  1.56582  0.455103  ?        ?         
1 1 1 78 16 1  o 0.713642 0.334506  0.522622     1.20464  -0.891812    1.73055  1.85231      1.6779   0.654639 0.326414  0.853772 0.39882   
1 1 1 78 16 2  o 0.965091 0.392227  2.12291      1.18868  1.24114      1.68495  2.99658      1.67718  0.788051 0.37731   0.979483 0.433314  
1 1 1 78 16 3  o 0.794144 0.359982  1.25985      1.23121  1.6268       1.82831  0.955357     1.66545  0.80091  0.385767  0.750825 0.363049  
1 1 1 78 16 4  o 0.660561 0.313973  0.243345     1.12613  2.95107      1.79143  -1.52573     1.44801  0.924108 0.423907  0.571822 0.287665  
1 1 1 79 0  0  o 2.72375  0.266824  7.99191      1.42151  7.99191      1.42151  7.99191      1.42151  2.77696  0.182799  ?        ?         
1 1 1 79 0  1  o 0.998946 0.430113  1.56156      0.876173 1.56156      0.876173 1.56156      0.876173 1.10342  0.323551  ?        ?         
1 1 1 79 0  2  o 0.953347 0.435906  1.47156      0.899018 1.47156      0.899018 1.47156      0.899018 1.04679  0.343652  ?        ?         
1 1 1 79 0  3  o 2.7011   0.178917  7.56072      0.956814 7.56072      0.956814 7.56072      0.956814 2.7258   0.124699  ?        ?         
1 1 1 79 0  4  f 1.52982  0.342566  2.82079      0.913692 2.82079      0.913692 2.82079      0.913692 1.61723  0.207401  ?        ?         
1 1 1 79 0  5  o 0.374877 0.271209  -1.31439     0.943506 -1.31439     0.943506 -1.31439     0.943506 0.285906 0.209935  ?        ?         
1 1 1 79 0  6  o 2.61255  0.205286  7.17446      1.05741  7.17446      1.05741  7.17446      1.05741  2.64603  0.142226  ?        ?         
1 1 1 79 0  7  o 2.02197  0.306547  4.63749      1.15402  4.63749      1.15402  4.63749      1.15402  2.09272  0.199106  ?        ?         
1 1 1 79 0  8  o 1.71     0.348085  3.50827      1.05311  3.50827      1.05311  3.50827      1.05311  1.80292  0.213282  ?        ?         
1 1 1 79 0  9  o 0.570033 0.375071  0.134364     1.04325  0.134364     1.04325  0.134364     1.04325  0.498511 0.322956  ?        ?         
1 1 1 79 0  10 o 3.39045  0.194725  12.0147      1.31045  12.0147      1.31045  12.0147      1.31045  3.42898  0.135599  ?        ?         
1 1 1 79 0  11 o 0.46414  0.327415  -0.81468     1.12231  -0.81468     1.12231  -0.81468     1.12231  0.370783 0.264588  ?        ?         
1 1 1 79 0  12 o 0.644109 0.411856  0.489007     1.14808  0.489007     1.14808  0.489007     1.14808  0.593476 0.363998  ?        ?         
1 1 1 79 0  13 o 0.791105 0.491126  1.15889      1.51318  1.15889      1.51318  1.15889      1.51318  0.785519 0.445839  ?        ?         
1 1 1 79 0  14 o 0.605442 0.409218  0.0727715    1.39965  0.0727715    1.39965  0.0727715    1.39965  0.532937 0.355506  ?        ?         
1 1 1 79 0  15 o 0.711252 0.461679  0.784681     1.51794  0.784681     1.51794  0.784681     1.51794  0.677574 0.417072  ?        ?         
1 1 1 79 0  16 o 0.561609 0.393629  -0.52512     1.57152  -0.52512     1.57152  -0.52512     1.57152  0.476    0.332873  ?        ?         
1 1 1 79 0  17 o 1.04889  0.553938  2.62983      1.53458  2.62983      1.53458  2.62983      1.53458  1.25825  0.466265  ?        ?         
1 1 1 79 0  18 o 1.18582  0.567467  3.20889      1.53512  3.20889      1.53512  3.20889      1.53512  1.47147  0.425607  ?        ?         
1 1 1 79 0  19 o 0.378307 0.280718  -2.81435     1.41321  -2.81435     1.41321  -2.81435     1.41321  0.292382 0.218537  ?        ?         
1 1 1 79 0  20 o 1.02491  0.559127  2.89435      1.60432  2.89435      1.60432  2.89435      1.60432  1.27425  0.478416  ?        ?         
1 1 1 79 1  0  o 1.68149  0.342866  3.35691      1.01974  3.35691      1.01974  3.35691      1.01974  1.76778  0.21073   ?        ?         
1 1 1 79 1  1  o 0.655281 0.280395  0.12691      0.654458 -0.410836    0.93003  0.654403     0.92112  0.659219 0.303661  0.863404 0.347528  
1 1 1 79 1  2  o 3.03531  0.124341  9.43603      0.754826 9.1741       1.04647  9.7201       1.08982  2.95708  0.176944  3.04203  0.179126  
1 1 1 79 1  3  o 2.64714  0.134195  7.20769      0.710466 7.05056      1.01444  7.35895      0.99533  2.57677  0.196844  2.63884  0.188593  
1 1 1 79 1  4  o 2.39962  0.15742   5.98941      0.755499 5.60398      0.994996 6.51415      1.16098  2.28015  0.218187  2.4419   0.23772   
1 1 1 79 1  5  o 2.34422  0.151793  5.70759      0.711674 6.08065      0.977044 5.28596      1.0387   2.38279  0.205021  2.19784  0.2363    
1 1 1 79 1  6  o 1.79945  0.198632  3.46143      0.714857 3.59968      0.984068 3.30696      1.04018  1.78166  0.276166  1.65418  0.326022  
1 1 1 79 1  7  o 1.25345  0.304548  1.89564      0.757025 3.33638      1.10358  0.615146     1.0404   1.63622  0.347698  0.863729 0.360763  
1 1 1 79 1  8  o 0.677971 0.297732  0.0680594    0.775578 -0.317564    1.08007  0.478591     1.1144   0.711733 0.327602  0.849421 0.364758  
1 1 1 79 1  9  o 1.29424  0.29564   2.00969      0.748803 3.03079      1.1013   1.13178      1.02117  1.53613  0.363647  0.97664  0.373611  
1 1 1 79 1  10 o 1.34512  0.293049  2.16837      0.766463 1.86731      1.10681  2.44577      1.06243  1.17138  0.396624  1.35633  0.377827  
1 1 1 79 1  11 o 2.06261  0.20048   4.62218      0.827025 5.90756      1.24078  3.59461      1.10939  2.25363  0.275286  1.68182  0.341706  
1 1 1 79 1  12 o 0.825528 0.33633   0.696586     0.876182 0.111296     1.4839   1.00986      1.08564  0.833066 0.383676  0.921768 0.374766  
1 1 1 79 1  13 o 1.50114  0.360718  3.08347      1.07112  1.21857      1.61122  4.56031      1.43382  0.976594 0.429001  1.76561  0.412982  
1 1 1 79 1  14 o 0.61447  0.293912  -0.702411    1.01608  -2.37569     1.47186  0.821017     1.40441  0.607947 0.302837  0.892015 0.395324  
1 1 1 79 1  15 o 1.04985  0.393523  1.6954       1.11605  2.22634      1.51468  1.06477      1.65076  1.12078  0.447915  0.933303 0.420267  
1 1 1 79 1  16 o 0.856625 0.359923  0.975263     1.04549  0.513636     1.47311  1.44376      1.48404  0.822356 0.380085  0.947119 0.413912  
1 1 1 79 1  17 o 0.717566 0.325622  0.351878     1.0101   0.565649     1.40596  0.123828     1.45216  0.79292  0.368328  0.750368 0.356601  
1 1 1 79 1  18 o 1.73142  0.348479  4.48156      1.16433  4.22565      1.59938  4.77009      1.69829  1.3617   0.475798  1.42919  0.491157  
1 1 1 79 1  19 o 0.882534 0.365627  1.32923      1.0552   1.01776      1.50449  1.6308       1.48037  0.826605 0.382836  0.90431  0.402871  
1 1 1 79 1  20 o 0.582823 0.285124  -0.540127    1.11197  -1.54702     1.71153  0.195307     1.46273  0.60701  0.306121  0.682237 0.332399  
1 1 1 79 2  0  o 0.654367 0.399071  0.597602     0.964229 0.597602     0.964229 0.597602     0.964229 0.618804 0.35419   ?        ?         
1 1 1 79 2  1  o 2.87032  0.126586  8.46103      0.726685 8.10493      1.0431   8.79684      1.01294  2.7647   0.188646  2.89168  0.175148  
1 1 1 79 2  2  o 1.60127  0.218668  2.77289      0.700292 2.6373       1.00529  2.90072      0.976081 1.45538  0.349292  1.54924  0.325365  
1 1 1 79 2  3  o 1.16187  0.304199  1.62184      0.715172 1.45579      0.95933  1.82958      1.073    1.07705  0.369242  1.18233  0.390518  
1 1 1 79 2  4  o 3.18153  0.133991  10.4466      0.852594 11.9747      1.04076  7.32882      1.48664  3.38962  0.153521  2.51773  0.295235  
1 1 1 79 2  5  o 1.62594  0.229086  2.89674      0.744959 1.94092      0.999233 4.09278      1.11777  1.21922  0.374126  1.8769   0.297769  
1 1 1 79 2  6  o 0.691085 0.292813  0.238386     0.701572 -0.963858    0.994873 1.42767      0.989494 0.603334 0.289124  1.06042  0.373879  
1 1 1 79 2  7  o 0.841814 0.315983  0.762389     0.720061 0.827454     1.11868  0.716362     0.940882 0.918398 0.378069  0.865074 0.349979  
1 1 1 79 2  8  o 2.17883  0.176263  5.03154      0.768095 6.39498      1.08208  3.64686      1.09047  2.4149   0.224042  1.72503  0.32791   
1 1 1 79 2  9  f 2.23224  0.170339  5.27269      0.760477 5.99604      1.0921   4.59177      1.05959  2.32311  0.235052  2.00691  0.263985  
1 1 1 79 2  10 o 0.605137 0.279086  -0.303988    0.788698 -0.83743     1.24441  0.0541516    1.01964  0.68355  0.32655   0.735973 0.330915  
1 1 1 79 2  11 o 1.01761  0.350601  1.38096      0.865832 0.582552     1.40168  1.87357      1.101    0.880675 0.392188  1.13738  0.39502   
1 1 1 79 2  12 f 1.58394  0.289186  3.09014      0.882103 3.35246      1.43985  2.93253      1.11607  1.43242  0.451046  1.43573  0.381917  
1 1 1 79 2  13 o 1.69325  0.31415   3.67555      1.02398  1.96427      1.44172  5.41759      1.45463  1.08982  0.436389  1.96247  0.384316  
1 1 1 79 2  14 o 2.16437  0.258576  5.56957      1.11931  6.75235      1.61476  4.47564      1.55293  2.21848  0.363934  1.64404  0.456405  
1 1 1 79 2  15 o 1.26462  0.388366  2.50955      1.07646  2.45183      1.50267  2.57039      1.54281  1.13429  0.448397  1.15026  0.454462  
1 1 1 79 2  16 o 0.643114 0.303421  -0.238938    1.03179  -1.44694     1.54333  0.737353     1.38744  0.646472 0.320071  0.817331 0.374144  
1 1 1 79 2  17 o 0.717391 0.327515  0.373868     1.05521  -0.78444     1.51558  1.4636       1.47004  0.672115 0.329912  0.89022  0.398891  
1 1 1 79 2  18 o 0.911024 0.373972  1.42986      1.09149  -0.31748     1.4512   3.70588      1.65625  0.700064 0.338572  1.2374   0.4751    
1 1 1 79 2  19 o 0.874234 0.368622  1.49305      1.10306  1.62986      1.52848  1.34435      1.59348  0.853846 0.391628  0.818914 0.384007  
1 1 1 79 3  0  o 0.608118 0.382701  0.418844     0.954797 0.418844     0.954797 0.418844     0.954797 0.557549 0.33713   ?        ?         
1 1 1 79 3  1  o 1.75057  0.199945  3.28858      0.700036 3.22905      0.994202 3.34711      0.985853 1.63917  0.314483  1.67734  0.305152  
1 1 1 79 3  2  o 2.31178  0.173075  5.63843      0.800224 6.25466      1.04799  4.77669      1.23929  2.3981   0.218504  2.01797  0.307064  
1 1 1 79 3  3  o 1.52717  0.220812  2.54271      0.674437 2.16407      0.901236 3.02465      1.01678  1.31314  0.340411  1.56581  0.334484  
1 1 1 79 3  4  o 0.829938 0.305214  0.747373     0.665568 0.622905     0.882034 0.91196      1.01427  0.832253 0.337993  0.924155 0.367423  
1 1 1 79 3  5  o 0.772989 0.310853  0.520253     0.736024 0.364228     0.99137  0.71188      1.09867  0.798739 0.34355   0.890786 0.37131   
1 1 1 79 3  6  o 0.62648  0.279051  -0.0564239   0.709976 0.724892     1.08225  -0.6467      0.940682 0.888678 0.369357  0.619176 0.291419  
1 1 1 79 3  7  o 1.92284  0.191258  3.96175      0.73552  3.89601      1.10166  4.01461      0.98797  1.78954  0.319293  1.88049  0.26269   
1 1 1 79 3  8  o 0.636658 0.284957  -0.0553069   0.748348 0.380671     1.10264  -0.427616    1.01895  0.816175 0.356733  0.668831 0.311794  
1 1 1 79 3  9  o 2.31432  0.181055  5.75369      0.838037 7.6694       1.34573  4.54017      1.07107  2.57767  0.261036  1.97253  0.271495  
1 1 1 79 3  10 o 0.754521 0.31871   0.445629     0.826983 -2.16143     1.29851  2.22465      1.07265  0.583922 0.289973  1.24259  0.388916  
1 1 1 79 3  11 o 0.871501 0.339146  0.929373     0.850193 2.3025       1.40993  0.144809     1.06575  1.17897  0.442233  0.74488  0.336427  
1 1 1 79 3  12 o 0.983227 0.365058  1.35895      0.955918 1.87056      1.40677  0.920071     1.30294  1.0737   0.430595  0.898735 0.390285  
1 1 1 79 3  13 o 1.6896   0.326744  3.75093      1.06472  3.47203      1.58553  3.98         1.43691  1.3772   0.474447  1.57014  0.440052  
1 1 1 79 3  14 o 1.76619  0.315211  4.10284      1.07337  3.9983       1.48905  4.21592      1.54865  1.51279  0.455216  1.53934  0.464446  
1 1 1 79 3  15 o 0.799221 0.345319  0.7913       1.01029  1.97241      1.46516  -0.279326    1.39495  1.00241  0.423858  0.711068 0.341138  
1 1 1 79 3  16 o 0.996604 0.375926  1.73874      1.02191  1.02279      1.53944  2.30279      1.36639  0.840757 0.388574  1.04949  0.422923  
1 1 1 79 3  17 o 1.06433  0.385056  2.0311       1.05557  1.99916      1.53554  2.05972      1.45344  0.966824 0.421791  0.986385 0.419829  
1 1 1 79 3  18 o 0.813407 0.353579  1.05212      1.07137  0.358609     1.45059  1.88447      1.58916  0.740527 0.353482  0.91006  0.410935  
1 1 1 79 3  19 o 0.713786 0.333493  0.669402     1.17395  2.68163      1.7258   -1.06359     1.60159  0.905961 0.415786  0.616542 0.308271  
1 1 1 79 4  0  o 0.861721 0.460467  1.34488      1.06997  1.34488      1.06997  1.34488      1.06997  0.919104 0.400116  ?        ?         
1 1 1 79 4  1  o 2.41619  0.151792  6.09358      0.733518 6.03633      1.04836  6.14848      1.02668  2.34886  0.223163  2.37709  0.215954  
1 1 1 79 4  2  o 1.18952  0.293747  1.70255      0.695591 0.843584     0.920072 2.84846      1.0627   0.892256 0.351453  1.49067  0.35999   
1 1 1 79 4  3  o 0.638713 0.278922  0.0665361    0.672849 -1.13401     0.891243 1.65769      1.02604  0.543855 0.263423  1.12161  0.381876  
1 1 1 79 4  4  o 0.729079 0.299446  0.397638     0.700188 -0.770135    0.955129 1.75428      1.02947  0.608565 0.289209  1.14815  0.382516  
1 1 1 79 4  5  o 0.771187 0.30697   0.545874     0.708739 -0.0885442   0.990812 1.21062      1.01422  0.714057 0.323344  0.991937 0.374407  
1 1 1 79 4  6  o 0.558452 0.260314  -0.414365    0.710054 -0.173577    1.05695  -0.612415    0.958575 0.716548 0.327403  0.62519  0.294228  
1 1 1 79 4  7  o 2.70269  0.163673  7.73734      0.884716 5.55014      1.40431  9.17674      1.13922  2.11171  0.332505  2.90841  0.19585   
1 1 1 79 4  8  o 1.06162  0.348357  1.50387      0.85382  2.9117       1.43018  0.724233     1.0643   1.35101  0.450855  0.86051  0.362425  
1 1 1 79 4  9  o 0.758411 0.316697  0.496118     0.801454 -0.0336622   1.31628  0.808235     1.01032  0.777676 0.359377  0.863208 0.357703  
1 1 1 79 4  10 o 2.19208  0.20634   5.34598      0.904627 3.60791      1.41154  6.55742      1.17845  1.50447  0.440931  2.37602  0.247988  
1 1 1 79 4  11 o 1.00687  0.345412  1.40326      0.839614 1.45717      1.36664  1.37058      1.06412  0.994882 0.414375  0.98103  0.379905  
1 1 1 79 4  12 o 0.627708 0.294527  -0.383255    0.942648 -0.775443    1.38449  -0.044329    1.28705  0.698215 0.336154  0.753963 0.35107   
1 1 1 79 4  13 o 1.15721  0.382621  2.08401      1.03004  1.26204      1.48609  2.84401      1.42899  0.936497 0.411693  1.24639  0.448304  
1 1 1 79 4  14 o 0.653368 0.305387  -0.0921299   0.985652 1.20072      1.42798  -1.2686      1.36219  0.885831 0.395129  0.625862 0.308262  
1 1 1 79 4  15 o 0.586445 0.283241  -0.629804    1.00258  -0.730453    1.47023  -0.542319    1.37071  0.673333 0.329041  0.671889 0.32582   
1 1 1 79 4  16 o 0.869717 0.364481  1.24047      1.06754  0.903008     1.64656  1.48518      1.40216  0.82597  0.387861  0.897326 0.396681  
1 1 1 79 4  17 o 1.1789   0.384763  2.474        1.04161  1.36634      1.47239  3.58365      1.47372  0.862723 0.391928  1.25891  0.455023  
1 1 1 79 4  18 o 0.757183 0.344077  0.995482     1.13652  0.790082     1.48703  1.284        1.7624   0.73276  0.351708  0.773047 0.373738  
1 1 1 79 5  0  o 1.46775  0.408713  2.86559      1.03679  2.86559      1.03679  2.86559      1.03679  1.59838  0.246974  ?        ?         
1 1 1 79 5  1  o 1.86512  0.20425   3.76878      0.761902 3.98825      1.01747  3.48862      1.14957  1.86265  0.273123  1.64877  0.358622  
1 1 1 79 5  2  o 0.604422 0.271706  -0.107684    0.687026 0.195507     0.932126 -0.468288    1.01656  0.744876 0.326761  0.664644 0.310456  
1 1 1 79 5  3  o 0.608484 0.272269  -0.0737645   0.682766 -0.710412    0.911192 0.741352     1.03103  0.596215 0.282931  0.874521 0.361806  
1 1 1 79 5  4  f 1.46988  0.234252  2.41516      0.688644 2.3634       0.973775 2.46694      0.974005 1.33832  0.357076  1.37287  0.352857  
1 1 1 79 5  5  o 0.818387 0.315618  0.729373     0.732874 -0.204163    1.00876  1.7729       1.06653  0.691728 0.31764   1.12476  0.388965  
1 1 1 79 5  6  o 1.60674  0.265657  3.00727      0.853685 2.55406      1.44584  3.24983      1.05774  1.26073  0.45119   1.58049  0.344201  
1 1 1 79 5  7  f 2.67288  0.169717  7.64905      0.907269 7.46419      1.50665  7.75422      1.13641  2.465    0.305608  2.63905  0.215307  
1 1 1 79 5  8  o 0.872415 0.342138  0.923209     0.868715 1.78654      1.45503  0.445009     1.0829   1.06908  0.434131  0.799447 0.351439  
1 1 1 79 5  9  o 1.02954  0.355298  1.48865      0.889499 0.897437     1.42328  1.86757      1.13943  0.907297 0.400557  1.10453  0.400014  
1 1 1 79 5  10 o 1.14344  0.336908  1.79163      0.821971 1.43173      1.32611  2.01617      1.04745  0.988956 0.40981   1.15895  0.385841  
1 1 1 79 5  11 o 0.94288  0.344446  1.22034      0.846448 2.3828       1.35921  0.483916     1.08183  1.1792   0.435808  0.792167 0.34954   
1 1 1 79 5  12 o 0.724475 0.326006  0.254398     0.991589 1.51287      1.43855  -0.884822    1.3687   0.97183  0.415774  0.673566 0.326304  
1 1 1 79 5  13 o 1.59559  0.333792  3.60439      1.03073  3.60997      1.49012  3.59927      1.42727  1.33999  0.460112  1.36765  0.450396  
1 1 1 79 5  14 o 1.07955  0.375589  1.99438      0.995718 1.60391      1.421    2.37105      1.39566  0.924644 0.40455   1.06316  0.427842  
1 1 1 79 5  15 o 0.875533 0.355749  1.24827      0.977641 2.68067      1.44342  0.0342358    1.32886  1.09685  0.437613  0.712515 0.339685  
1 1 1 79 5  16 f 0.884158 0.374417  1.37191      1.14609  1.67437      1.66815  1.1015       1.5773   0.900649 0.411435  0.837391 0.389425  
1 1 1 79 5  17 o 0.84048  0.35738   1.37299      1.05139  0.615345     1.43184  2.25949      1.54881  0.729276 0.348844  0.907292 0.4079    
1 1 1 79 6  0  o 1.76293  0.340718  3.75967      1.0707   3.75967      1.0707   3.75967      1.0707   1.86216  0.209309  ?        ?         
1 1 1 79 6  1  o 1.38304  0.287738  2.32224      0.769553 3.36963      1.01941  0.934542     1.17339  1.63872  0.322529  0.920163 0.383653  
1 1 1 79 6  2  o 0.580851 0.270176  -0.371314    0.759686 -0.37        0.934475 -0.373874    1.30457  0.643238 0.29937   0.743913 0.348589  
1 1 1 79 6  3  o 1.25235  0.296599  1.94614      0.732378 1.75834      1.09985  2.09575      0.981671 1.1091   0.393859  1.23262  0.369351  
1 1 1 79 6  4  o 0.842171 0.32626   0.811639     0.784979 0.895834     1.3021   0.763569     0.983868 0.916789 0.394004  0.854957 0.353556  
1 1 1 79 6  5  o 0.697535 0.304754  0.218412     0.804047 0.259358     1.33883  0.195312     1.00559  0.819912 0.372813  0.744151 0.331765  
1 1 1 79 6  6  o 2.20106  0.200769  5.34654      0.883807 5.17708      1.4604   5.44447      1.11019  1.91735  0.394354  2.15788  0.257241  
1 1 1 79 6  7  o 2.43451  0.181093  6.44666      0.881745 6.28548      1.46026  6.53914      1.10617  2.20668  0.330873  2.39303  0.231123  
1 1 1 79 6  8  o 1.54724  0.293273  2.99638      0.874606 0.0349911    1.47732  4.59443      1.08523  0.800895 0.37416   1.94808  0.278537  
1 1 1 79 6  9  o 1.65897  0.273966  3.32732      0.909004 1.89364      1.47533  4.20462      1.15409  1.06757  0.43593   1.78283  0.335974  
1 1 1 79 6  10 o 1.0197   0.350116  1.47986      0.862801 1.59641      1.46361  1.41778      1.06813  1.00476  0.424183  0.982076 0.380556  
1 1 1 79 6  11 o 3.64844  0.174895  14.622       1.27619  13.6932      1.9269   15.3479      1.70332  3.2765   0.294048  3.61064  0.235876  
1 1 1 79 6  12 o 1.47963  0.357129  3.27505      1.04632  3.1745       1.46735  3.37906      1.49241  1.24304  0.453568  1.28036  0.45838   
1 1 1 79 6  13 o 0.96657  0.368729  1.58781      0.992386 0.807525     1.43133  2.31011      1.37713  0.815333 0.376005  1.05436  0.424707  
1 1 1 79 6  14 o 1.363    0.370902  3.00413      1.03787  2.6503       1.47032  3.3555       1.46523  1.08242  0.437669  1.23293  0.452912  
1 1 1 79 6  15 o 0.926231 0.373389  1.51932      1.06562  0.697144     1.51112  2.33261      1.50293  0.794739 0.372901  1.01442  0.429129  
1 1 1 79 6  16 o 0.740798 0.337906  0.731248     1.11901  1.45073      1.53442  -0.0860945   1.63544  0.827156 0.384445  0.697859 0.3426    
1 1 1 79 7  0  o 0.894335 0.473214  1.55766      1.12156  1.55766      1.12156  1.55766      1.12156  0.983824 0.407437  ?        ?         
1 1 1 79 7  1  f 0.814452 0.320589  0.738864     0.765088 2.72048      1.05091  -1.49588     1.11602  1.39902  0.369894  0.576126 0.282894  
1 1 1 79 7  2  o 1.06956  0.358907  1.58985      0.906317 1.19601      1.34515  1.91728      1.2265   0.962634 0.406539  1.11916  0.413913  
1 1 1 79 7  3  o 1.27848  0.334229  2.17678      0.864161 2.40605      1.38259  2.02979      1.10705  1.20971  0.440384  1.16464  0.396665  
1 1 1 79 7  4  o 1.8916   0.221364  4.04035      0.837466 4.43962      1.35157  3.79153      1.06697  1.76576  0.392976  1.71717  0.322554  
1 1 1 79 7  5  o 1.89438  0.22942   4.09962      0.869219 2.15459      1.45823  5.17159      1.08256  1.12866  0.443127  2.09399  0.258492  
1 1 1 79 7  6  o 1.66786  0.260793  3.29921      0.869931 1.81891      1.39695  4.23691      1.11183  1.06355  0.428024  1.84325  0.301596  
1 1 1 79 7  7  o 0.57765  0.272666  -0.5114      0.835159 0.905576     1.40804  -1.28048     1.03733  0.902234 0.398353  0.563369 0.275556  
1 1 1 79 7  8  o 0.644211 0.296501  -0.145597    0.884551 0.941056     1.57622  -0.645137    1.0687   0.913067 0.410938  0.633195 0.302523  
1 1 1 79 7  9  o 0.997029 0.355023  1.43776      0.894184 0.656786     1.45933  1.90724      1.13147  0.857714 0.389795  1.09375  0.398367  
1 1 1 79 7  10 o 0.726356 0.317134  0.448907     0.869485 0.747219     1.53306  0.307448     1.0557   0.847339 0.390138  0.73465  0.33316   
1 1 1 79 7  11 o 2.2974   0.243879  6.43632      1.12058  6.36603      1.68365  6.49222      1.50143  1.90522  0.448734  2.07304  0.375975  
1 1 1 79 7  12 f 0.812113 0.343494  0.93239      0.962701 -0.491842    1.38047  2.28082      1.34323  0.676615 0.327757  1.05283  0.421367  
1 1 1 79 7  13 o 0.818812 0.349942  0.98948      1.01718  1.03534      1.45048  0.945108     1.42683  0.834217 0.382156  0.822431 0.377706  
1 1 1 79 7  14 o 0.986059 0.37759   1.75092      1.04388  1.19309      1.43787  2.3726       1.51793  0.851395 0.386922  1.01938  0.431249  
1 1 1 79 7  15 o 0.69936  0.324013  0.424959     1.07885  0.629685     1.52731  0.221081     1.52415  0.751336 0.35961   0.715565 0.346226  
1 1 1 79 8  0  o 0.536557 0.375279  -0.554954    1.41347  -0.554954    1.41347  -0.554954    1.41347  0.44883  0.314391  ?        ?         
1 1 1 79 8  1  o 1.67561  0.259448  3.32144      0.869466 4.52192      1.46524  2.66899      1.0802   1.71905  0.427452  1.35408  0.382204  
1 1 1 79 8  2  o 0.830692 0.330957  0.806376     0.824516 0.37418      1.35904  1.05811      1.03721  0.824575 0.375115  0.907778 0.367374  
1 1 1 79 8  3  o 2.8143   0.16861   8.53733      0.94904  8.58053      1.46273  8.50593      1.24718  2.66924  0.273997  2.72904  0.228503  
1 1 1 79 8  4  o 2.12856  0.236059  5.22754      1.00494  5.57809      1.69803  5.03857      1.24671  1.86087  0.458597  1.99334  0.312719  
1 1 1 79 8  5  o 0.653669 0.300972  -0.147143    0.912421 1.78991      1.46819  -1.36599     1.16463  1.04848  0.432623  0.594176 0.290939  
1 1 1 79 8  6  f 1.61832  0.304592  3.34789      0.94967  1.46673      1.57918  4.41362      1.18862  0.986479 0.429049  1.81794  0.339524  
1 1 1 79 8  7  o 0.939613 0.347909  1.22689      0.867023 0.292934     1.59598  1.61793      1.0327   0.833016 0.389062  1.03515  0.380234  
1 1 1 79 8  8  o 1.50354  0.311943  3.00893      0.906621 2.19071      1.5902   3.40298      1.10355  1.06544  0.445579  1.52848  0.365414  
1 1 1 79 8  9  o 1.3579   0.347331  2.72082      0.947121 2.03939      1.57802  3.10451      1.18412  1.00642  0.433167  1.35839  0.405372  
1 1 1 79 8  10 o 0.51401  0.255088  -1.47346     0.99659  -3.24975     1.47972  0.00114571   1.34822  0.538938 0.272991  0.724433 0.343957  
1 1 1 79 8  11 o 1.07727  0.388329  2.10142      1.07274  2.40157      1.49976  1.78699      1.53501  1.03664  0.433076  0.935259 0.414044  
1 1 1 79 8  12 o 0.766915 0.338126  0.706928     1.00957  0.136739     1.40575  1.31426      1.45081  0.733206 0.349508  0.871232 0.393062  
1 1 1 79 8  13 o 1.09475  0.382241  2.14566      1.03208  2.13309      1.44412  2.15879      1.47556  0.988774 0.419582  0.988228 0.421884  
1 1 1 79 8  14 o 0.783454 0.347482  0.982635     1.08789  2.47452      1.55691  -0.440743    1.52074  0.964074 0.422615  0.666603 0.328255  
1 1 1 79 9  0  o 1.37688  0.539942  3.31307      1.41771  3.31307      1.41771  3.31307      1.41771  1.61712  0.354454  ?        ?         
1 1 1 79 9  1  o 3.11359  0.179725  10.5776      1.11918  9.99819      1.82781  10.925       1.41557  2.76719  0.330264  3.08561  0.229382  
1 1 1 79 9  2  o 1.38703  0.344061  2.6422       0.951042 3.2747       1.48083  2.19816      1.24075  1.36332  0.458769  1.1598   0.417677  
1 1 1 79 9  3  o 1.30464  0.322375  2.27238      0.837388 3.31785      1.42865  1.72522      1.03354  1.3898   0.450546  1.06893  0.38158   
1 1 1 79 9  4  o 0.759641 0.325622  0.503754     0.885326 1.14257      1.64794  0.244578     1.04967  0.938065 0.421284  0.743921 0.33505   
1 1 1 79 9  5  o 1.59979  0.323257  3.40413      0.998092 3.48156      1.67049  3.36114      1.24469  1.32212  0.483798  1.46287  0.409423  
1 1 1 79 9  6  o 2.08548  0.272751  5.40472      1.13763  1.96802      1.95663  7.15984      1.39827  1.00494  0.454759  2.36282  0.295891  
1 1 1 79 9  7  o 1.60742  0.326878  3.59725      1.01434  3.21699      1.61402  3.84547      1.30404  1.21145  0.468139  1.5106   0.417839  
1 1 1 79 9  8  o 1.0787   0.37681   1.95811      1.00305  -0.0829339   1.67912  3.09058      1.25074  0.760831 0.367255  1.30666  0.421359  
1 1 1 79 9  9  o 1.23094  0.384786  2.56649      1.05043  2.0763       1.72902  2.85326      1.32246  0.968104 0.433227  1.19336  0.431068  
1 1 1 79 9  10 f 1.26422  0.396081  2.83812      1.11217  2.74008      1.62046  2.92542      1.52919  1.05894  0.446659  1.11517  0.448228  
1 1 1 79 9  11 o 1.13549  0.38378   2.25709      1.03629  1.86557      1.50976  2.60586      1.42498  0.949701 0.416242  1.09344  0.43526   
1 1 1 79 9  12 o 0.857891 0.35854   1.21418      1.02857  0.960109     1.46277  1.46266      1.44659  0.816795 0.377986  0.879988 0.394967  
1 1 1 79 9  13 o 0.617101 0.294698  -0.136289    1.01114  0.214422     1.37626  -0.547643    1.4905   0.698904 0.33616   0.652143 0.321188  
1 1 1 79 10 0  o 0.935296 0.524678  2.02623      1.46095  2.02623      1.46095  2.02623      1.46095  1.05803  0.467539  ?        ?         
1 1 1 79 10 1  o 1.01241  0.368599  1.56478      0.968607 1.28361      1.59912  1.72772      1.21733  0.934837 0.417531  1.02341  0.403896  
1 1 1 79 10 2  o 0.761952 0.330325  0.54461      0.930368 1.53789      1.49933  -0.0773196   1.18641  0.966081 0.419086  0.71309  0.333837  
1 1 1 79 10 3  o 1.56149  0.320051  3.30635      0.9651   3.44186      1.59387  3.22791      1.21268  1.29616  0.472741  1.40605  0.407608  
1 1 1 79 10 4  o 0.608661 0.29104   -0.49965     0.994274 -1.2471      1.66089  -0.0821787   1.24126  0.686561 0.338126  0.710714 0.334576  
1 1 1 79 10 5  o 1.8603   0.261019  4.31535      0.971145 6.08946      1.68963  3.44012      1.18676  1.84398  0.459323  1.45356  0.397091  
1 1 1 79 10 6  o 2.08344  0.226189  5.1675       0.942503 4.20091      1.68681  5.60625      1.13646  1.3655   0.487474  2.10099  0.270458  
1 1 1 79 10 7  o 0.726853 0.329694  0.412673     1.03439  0.290312     1.63451  0.494414     1.33594  0.779037 0.372663  0.772893 0.359031  
1 1 1 79 10 8  o 0.613501 0.294195  -0.422555    1.03448  1.26204      1.67786  -1.45562     1.31393  0.863809 0.401686  0.589936 0.292785  
1 1 1 79 10 9  o 0.723575 0.337101  0.296643     1.1887   0.658755     1.60968  -0.137682    1.76289  0.799816 0.377894  0.746729 0.364016  
1 1 1 79 10 10 f 1.02842  0.383509  1.89632      1.05728  2.91166      1.61474  1.13436      1.39883  1.10236  0.454083  0.850518 0.384716  
1 1 1 79 10 11 o 0.866287 0.361432  1.28761      1.04248  2.4243       1.60507  0.458269     1.37101  0.991515 0.431911  0.748883 0.352277  
1 1 1 79 10 12 o 1.30281  0.389434  3.2043       1.09222  3.78349      1.64349  2.74615      1.46171  1.11528  0.458537  1.00122  0.423357  
1 1 1 79 11 0  o 2.13567  0.346826  5.76277      1.36355  5.76277      1.36355  5.76277      1.36355  2.28073  0.215814  ?        ?         
1 1 1 79 11 1  o 0.777673 0.341057  0.683509     1.01492  0.373314     1.58754  0.897922     1.31987  0.793155 0.375     0.83439  0.375756  
1 1 1 79 11 2  f 0.766943 0.340112  0.615929     1.04174  2.18067      1.60908  -0.513197    1.36687  1.01136  0.436374  0.681291 0.329336  
1 1 1 79 11 3  o 1.0201   0.372096  1.75029      0.987476 1.33004      1.62069  1.99841      1.24533  0.891437 0.406629  1.02802  0.407628  
1 1 1 79 11 4  o 1.27942  0.369154  2.62144      0.996967 2.38362      1.65311  2.75738      1.24984  1.02338  0.44194   1.2017   0.420536  
1 1 1 79 11 5  o 1.69848  0.304386  3.94671      0.996541 2.2647       1.62939  4.95186      1.25959  0.999553 0.435294  1.81341  0.360093  
1 1 1 79 11 6  o 1.68241  0.329045  4.07769      1.06769  1.84774      1.72097  5.47306      1.36135  0.925379 0.421279  1.86604  0.377964  
1 1 1 79 11 7  o 0.473638 0.238486  -2.15081     1.02625  -1.70147     1.59932  -2.46534     1.33806  0.628595 0.31348   0.537495 0.270985  
1 1 1 79 11 8  o 1.01925  0.363529  1.74553      0.937889 2.02835      1.58693  1.59372      1.16267  0.968102 0.425509  0.93952  0.385873  
1 1 1 79 11 9  o 1.24907  0.385796  2.712        1.06021  2.62397      1.62814  2.7768       1.39698  1.03224  0.441994  1.11959  0.43493   
1 1 1 79 11 10 o 0.68157  0.320319  0.184016     1.1285   2.5097       1.61727  -2.02291     1.57543  0.976334 0.42934   0.59069  0.297228  
1 1 1 79 11 11 o 0.902021 0.37001   1.75764      1.06773  1.06591      1.63085  2.27659      1.41255  0.757438 0.364709  0.912586 0.401278  
1 1 1 79 12 0  o 0.754022 0.472977  1.39223      1.4438   1.39223      1.4438   1.39223      1.4438   0.794798 0.441525  ?        ?         
1 1 1 79 12 1  o 0.595329 0.287853  -0.623558    1.04666  -1.36222     1.71733  -0.187028    1.32019  0.666728 0.33142   0.691478 0.331772  
1 1 1 79 12 2  o 1.30034  0.3942    2.94706      1.11386  2.32252      1.98798  3.23284      1.34476  0.958892 0.44256   1.25949  0.436647  
1 1 1 79 12 3  o 1.18404  0.390152  2.5041       1.07099  3.15087      1.59173  1.96907      1.4477   1.13693  0.457166  0.961823 0.414443  
1 1 1 79 12 4  o 1.20321  0.401077  2.65476      1.13181  1.59406      1.68373  3.52913      1.52871  0.897477 0.411387  1.24336  0.46165   
1 1 1 79 12 5  o 0.645757 0.30415   -0.131015    1.02828  -1.04669     1.62144  0.484999     1.32992  0.671688 0.331468  0.763534 0.356045  
1 1 1 79 12 6  o 0.88825  0.36611   1.30159      1.05031  0.0428723    1.61137  2.23141      1.38494  0.750651 0.361707  1.03218  0.422069  
1 1 1 79 12 7  o 0.613535 0.293105  -0.327273    1.00262  -0.271394    1.52599  -0.369718    1.32998  0.706438 0.342951  0.670659 0.324312  
1 1 1 79 12 8  o 0.671888 0.310768  0.220511     0.987142 0.399473     1.59395  0.109168     1.25726  0.754155 0.3625    0.695207 0.331061  
1 1 1 79 12 9  o 0.619347 0.299385  -0.258997    1.12927  -1.17137     1.58161  0.68984      1.61291  0.620061 0.309577  0.744365 0.359463  
1 1 1 79 12 10 o 0.576957 0.283031  -0.615364    1.11259  -0.441137    1.58233  -0.785729    1.5647   0.648855 0.321928  0.627742 0.312635  
1 1 1 79 13 0  o 1.2214   0.567094  3.3298       1.52425  3.3298       1.52425  3.3298       1.52425  1.51932  0.411153  ?        ?         
1 1 1 79 13 1  o 1.14948  0.394186  2.37694      1.09338  3.56383      1.78437  1.66338      1.38356  1.16889  0.478712  0.930862 0.403176  
1 1 1 79 13 2  o 0.995523 0.396239  1.86696      1.18081  4.90785      2.03511  0.323661     1.44981  1.30593  0.520063  0.760259 0.358977  
1 1 1 79 13 3  o 0.712523 0.330099  0.272077     1.11961  0.283551     1.68767  0.263057     1.49629  0.773376 0.372047  0.75494  0.360038  
1 1 1 79 13 4  o 0.668984 0.31637   -0.0646939   1.13055  0.0280251    1.63302  -0.150036    1.56671  0.741864 0.358852  0.721008 0.349235  
1 1 1 79 13 5  o 0.922215 0.380634  1.59456      1.13688  1.6816       1.6283   1.51178      1.58803  0.893395 0.407539  0.875081 0.400454  
1 1 1 79 13 6  o 0.63984  0.305988  -0.158156    1.09991  -0.936032    1.58543  0.563658     1.52723  0.651448 0.322989  0.757147 0.361721  
1 1 1 79 13 7  o 0.790351 0.343979  1.08493      1.01632  2.67672      1.59266  -0.00850096  1.32001  0.960692 0.423979  0.66576  0.322141  
1 1 1 79 13 8  o 0.662742 0.316715  0.216591     1.17308  -0.0045987   1.6131   0.464865     1.70901  0.678941 0.33439   0.715139 0.350807  
1 1 1 79 14 0  o 0.551572 0.389151  -0.206606    1.58684  -0.206606    1.58684  -0.206606    1.58684  0.486981 0.338825  ?        ?         
1 1 1 79 14 1  o 0.623211 0.30222   -0.495021    1.17942  -0.830379    1.6159   -0.112677    1.72539  0.665308 0.328939  0.723157 0.354101  
1 1 1 79 14 2  o 1.11442  0.412863  2.63738      1.22133  3.46712      1.89877  2.05183      1.59508  1.04639  0.462219  0.916739 0.412946  
1 1 1 79 14 3  o 0.721717 0.339328  0.46835      1.26898  3.25365      1.94369  -1.60082     1.67529  0.99048  0.450058  0.620614 0.311004  
1 1 1 79 14 4  o 0.898795 0.379779  1.74986      1.17492  0.0615345    1.64431  3.51104      1.67941  0.701382 0.344072  1.06179  0.451586  
1 1 1 79 14 5  o 0.790549 0.357176  1.24002      1.20228  0.956818     1.83725  1.45212      1.59     0.750093 0.366848  0.792516 0.374977  
1 1 1 79 14 6  f 0.690134 0.323082  0.508426     1.11091  -0.835191    1.63142  1.6701       1.51695  0.632106 0.315425  0.819157 0.381315  
1 1 1 79 15 0  f 0.491859 0.356109  -0.883952    1.65736  -0.883952    1.65736  -0.883952    1.65736  0.420834 0.304158  ?        ?         
1 1 1 79 15 1  o 0.665762 0.320372  0.167725     1.25371  0.235591     1.9304   0.118218     1.64875  0.710223 0.352811  0.689146 0.339437  
1 1 1 80 0  0  o 1.97594  0.404545  4.77831      1.41292  4.77831      1.41292  4.77831      1.41292  2.095    0.246155  ?        ?         
1 1 1 80 0  1  o 2.2296   0.21979   5.30717      0.95823  5.30717      0.95823  5.30717      0.95823  2.26763  0.150936  ?        ?         
1 1 1 80 0  2  o 2.61224  0.199409  7.16653      1.02785  7.16653      1.02785  7.16653      1.02785  2.6451   0.138248  ?        ?         
1 1 1 80 0  3  o 3.12337  0.177566  10.1119      1.10101  10.1119      1.10101  10.1119      1.10101  3.15184  0.12394   ?        ?         
1 1 1 80 0  4  o 3.65689  0.171105  13.8052      1.24518  13.8052      1.24518  13.8052      1.24518  3.68636  0.11971   ?        ?         
1 1 1 80 0  5  o 0.572014 0.37236   0.199282     0.995853 0.199282     0.995853 0.199282     0.995853 0.504944 0.322718  ?        ?         
1 1 1 80 0  6  o 0.607702 0.388231  0.367186     1.01816  0.367186     1.01816  0.367186     1.01816  0.550765 0.340312  ?        ?         
1 1 1 80 0  7  o 0.446431 0.316794  -0.921101    1.09326  -0.921101    1.09326  -0.921101    1.09326  0.353871 0.254429  ?        ?         
1 1 1 80 0  8  o 0.992974 0.469837  1.71564      1.04938  1.71564      1.04938  1.71564      1.04938  1.10655  0.375252  ?        ?         
1 1 1 80 0  9  o 2.02319  0.292543  4.65086      1.11124  4.65086      1.11124  4.65086      1.11124  2.09468  0.191226  ?        ?         
1 1 1 80 0  10 o 1.33666  0.468357  2.69134      1.13191  2.69134      1.13191  2.69134      1.13191  1.50464  0.299769  ?        ?         
1 1 1 80 0  11 o 0.669355 0.419269  0.66846      1.12952  0.66846      1.12952  0.66846      1.12952  0.637229 0.375359  ?        ?         
1 1 1 80 0  12 o 0.685095 0.448588  0.588076     1.47044  0.588076     1.47044  0.588076     1.47044  0.637285 0.400389  ?        ?         
1 1 1 80 0  13 o 1.21039  0.576018  3.00772      1.57956  3.00772      1.57956  3.00772      1.57956  1.43974  0.444401  ?        ?         
1 1 1 80 0  14 o 0.755859 0.471859  1.10622      1.41568  1.10622      1.41568  1.10622      1.41568  0.756136 0.43048   ?        ?         
1 1 1 80 0  15 o 0.712117 0.467385  0.864567     1.60729  0.864567     1.60729  0.864567     1.60729  0.686182 0.425808  ?        ?         
1 1 1 80 0  16 f 0.827434 0.492426  1.66639      1.39831  1.66639      1.39831  1.66639      1.39831  0.909018 0.452502  ?        ?         
1 1 1 80 0  17 o 0.524166 0.367952  -0.320662    1.38374  -0.320662    1.38374  -0.320662    1.38374  0.453127 0.315589  ?        ?         
1 1 1 80 0  18 o 3.11861  0.308608  11.7515      1.88161  11.7515      1.88161  11.7515      1.88161  3.27982  0.204657  ?        ?         
1 1 1 80 0  19 o 0.696839 0.457683  1.25185      1.54445  1.25185      1.54445  1.25185      1.54445  0.717994 0.431614  ?        ?         
1 1 1 80 1  0  o 1.27857  0.424454  2.30675      0.962662 2.30675      0.962662 2.30675      0.962662 1.41285  0.269767  ?        ?         
1 1 1 80 1  1  o 2.22536  0.152024  5.16102      0.676616 4.90462      0.957816 5.41643      0.955945 2.11803  0.22611   2.23596  0.213766  
1 1 1 80 1  2  o 2.02418  0.174928  4.327        0.708169 3.90105      0.978925 4.79464      1.02572  1.86075  0.263047  2.07678  0.246949  
1 1 1 80 1  3  o 2.77038  0.135116  7.93361      0.748643 8.66711      1.06609  7.21998      1.05155  2.85376  0.186786  2.59056  0.202957  
1 1 1 80 1  4  o 2.81699  0.144253  8.24334      0.812718 8.83344      1.07794  7.46606      1.23715  2.88     0.187143  2.59924  0.237983  
1 1 1 80 1  5  o 0.776047 0.311512  0.529578     0.737229 0.492425     1.03665  0.567596     1.04865  0.834663 0.354885  0.852402 0.359416  
1 1 1 80 1  6  o 1.20532  0.306657  1.77271      0.741239 1.27596      1.0878   2.20328      1.01275  1.01625  0.386525  1.29451  0.371597  
1 1 1 80 1  7  o 1.30951  0.300218  2.07282      0.769901 1.57479      1.06053  2.62774      1.11946  1.09233  0.386871  1.39888  0.387228  
1 1 1 80 1  8  o 0.661695 0.288101  0.122345     0.713479 -0.613252    0.986135 0.930391     1.03356  0.634526 0.298565  0.917345 0.368588  
1 1 1 80 1  9  o 1.9658   0.209873  4.24733      0.825139 4.19073      1.17515  4.30238      1.15887  1.81856  0.335712  1.88338  0.307656  
1 1 1 80 1  10 o 1.12448  0.346903  1.70375      0.857556 2.21951      1.34416  1.34972      1.11364  1.18943  0.434101  0.997783 0.388179  
1 1 1 80 1  11 o 0.521704 0.257064  -1.53618     0.96589  -2.23667     1.3352   -0.767179    1.39898  0.585447 0.291184  0.712926 0.341933  
1 1 1 80 1  12 o 0.839916 0.354797  0.753072     1.02494  0.948471     1.44911  0.557474     1.44985  0.91528  0.404116  0.860409 0.390298  
1 1 1 80 1  13 o 0.807279 0.344991  0.636774     0.9885   1.84064      1.35202  -0.745829    1.44891  1.0642   0.42386   0.715148 0.344204  
1 1 1 80 1  14 f 0.607868 0.291303  -0.667513    1.01007  -0.891783    1.44688  -0.454307    1.41073  0.691937 0.335295  0.723868 0.346259  
1 1 1 80 1  15 o 0.733618 0.333547  0.359834     1.07118  -0.425623    1.43387  1.35179      1.61136  0.704473 0.339884  0.905981 0.411162  
1 1 1 80 1  16 o 0.55788  0.272707  -0.950633    1.01198  -1.5171      1.39675  -0.324687    1.46824  0.60576  0.300807  0.703527 0.3403    
1 1 1 80 1  17 o 1.06811  0.393248  2.10551      1.10515  1.28379      1.57564  2.90121      1.5505   0.868655 0.398087  1.11487  0.45      
1 1 1 80 1  18 o 1.15956  0.397666  2.5543       1.11279  1.77298      1.5386   3.41127      1.61137  0.903925 0.40646   1.14979  0.460955  
1 1 1 80 1  19 o 0.763415 0.3413    1.02761      1.07082  1.08931      1.46351  0.956522     1.57092  0.760456 0.359782  0.748318 0.359737  
1 1 1 80 2  0  o 0.717972 0.418677  0.85997      0.977905 0.85997      0.977905 0.85997      0.977905 0.71486  0.373425  ?        ?         
1 1 1 80 2  1  o 0.833961 0.304855  0.762568     0.663143 0.835747     0.917599 0.682561     0.959453 0.890904 0.350961  0.860274 0.351459  
1 1 1 80 2  2  o 3.55728  0.118882  12.9942      0.845791 12.6088      1.1726   13.4121      1.22113  3.45817  0.169541  3.56475  0.171278  
1 1 1 80 2  3  o 1.96358  0.183491  4.10402      0.720599 5.18568      1.04322  3.11701      0.99654  2.16032  0.241451  1.59715  0.323267  
1 1 1 80 2  4  o 1.21594  0.294897  1.78234      0.710801 1.11062      0.948037 2.64472      1.07419  0.964755 0.362483  1.4194   0.373366  
1 1 1 80 2  5  o 0.954062 0.328616  1.10397      0.760608 -0.0454237   1.03777  2.43805      1.11804  0.73516  0.332012  1.34027  0.392297  
1 1 1 80 2  6  o 1.73044  0.219811  3.29069      0.76074  2.46878      1.10411  4.0335       1.04965  1.3442   0.388693  1.86233  0.281811  
1 1 1 80 2  7  o 1.1947   0.324059  1.818        0.793845 1.14524      1.11253  2.51584      1.13308  0.966545 0.384642  1.33873  0.395915  
1 1 1 80 2  8  o 0.763855 0.318381  0.484676     0.807689 0.38131      1.11852  0.597302     1.16755  0.807691 0.35603   0.853253 0.369976  
1 1 1 80 2  9  o 1.14479  0.339353  1.75406      0.831711 2.05349      1.34852  1.57023      1.05661  1.14356  0.431698  1.05236  0.384799  
1 1 1 80 2  10 o 2.43512  0.186223  6.46876      0.906953 6.41907      1.41197  6.50367      1.18335  2.26284  0.311992  2.36464  0.250218  
1 1 1 80 2  11 o 0.967776 0.365528  1.30554      0.967212 1.48253      1.42799  1.15551      1.31471  0.999714 0.420371  0.939541 0.399572  
1 1 1 80 2  12 o 0.601892 0.287009  -0.613147    0.950021 -0.869277    1.37897  -0.381752    1.3107   0.688912 0.332607  0.72142  0.340921  
1 1 1 80 2  13 o 0.733514 0.330928  0.239089     1.02837  1.06198      1.54144  -0.420946    1.38051  0.913996 0.409031  0.722486 0.344862  
1 1 1 80 2  14 o 0.982504 0.373867  1.59395      1.01812  1.91195      1.44935  1.28415      1.43053  0.998628 0.421877  0.900096 0.398935  
1 1 1 80 2  15 o 0.765214 0.341877  0.630075     1.07286  0.248013     1.55662  0.975793     1.48073  0.767175 0.366194  0.838778 0.385029  
1 1 1 80 2  16 o 0.788031 0.346143  0.816379     1.04878  1.20209      1.53777  0.480941     1.43405  0.855772 0.392639  0.769756 0.361568  
1 1 1 80 2  17 o 0.639776 0.304716  -0.197436    1.06552  -0.581773    1.50384  0.190015     1.50992  0.678021 0.331669  0.741028 0.355368  
1 1 1 80 2  18 o 1.14887  0.400931  2.85125      1.13535  2.70079      1.51741  3.04261      1.71127  0.956923 0.418366  0.956401 0.429416  
1 1 1 80 3  0  o 0.522105 0.351213  -0.102745    1.00932  -0.102745    1.00932  -0.102745    1.00932  0.44279  0.297086  ?        ?         
1 1 1 80 3  1  f 1.17556  0.298931  1.67977      0.704632 1.34845      1.00287  2.0028       0.990246 1.02957  0.375041  1.22934  0.371485  
1 1 1 80 3  2  o 1.34329  0.276959  2.12928      0.718648 2.00557      1.03356  2.24507      0.999915 1.21969  0.381767  1.30405  0.367611  
1 1 1 80 3  3  o 0.811227 0.308141  0.698935     0.6906   -0.338777    0.940695 1.91202      1.01708  0.657856 0.30393   1.18967  0.3796    
1 1 1 80 3  4  o 1.52894  0.25026   2.64646      0.765266 2.45965      1.02756  2.87912      1.14672  1.35718  0.368938  1.45284  0.387424  
1 1 1 80 3  5  o 1.28856  0.310916  2.07464      0.793236 2.23691      1.08797  1.89049      1.159    1.26203  0.391022  1.14951  0.404704  
1 1 1 80 3  6  f 0.952388 0.331052  1.15148      0.773431 1.70742      1.15379  0.697797     1.04228  1.09387  0.401899  0.854084 0.359137  
1 1 1 80 3  7  f 0.950936 0.340023  1.16844      0.820983 1.31136      1.44115  1.09977      0.998918 0.997043 0.420919  0.934117 0.366754  
1 1 1 80 3  8  o 1.56086  0.288085  2.9915       0.865539 4.58641      1.32921  1.81737      1.14047  1.82833  0.37639   1.10423  0.400167  
1 1 1 80 3  9  o 0.913709 0.339278  1.09137      0.825706 -0.31773     1.29406  2.05905      1.07238  0.730581 0.343254  1.17232  0.390406  
1 1 1 80 3  10 o 0.768334 0.32617   0.524511     0.873252 2.45311      1.39155  -0.728391    1.12159  1.20072  0.441348  0.642231 0.307576  
1 1 1 80 3  11 o 0.612411 0.289648  -0.517459    0.94787  -0.674208    1.43206  -0.395244    1.2645   0.717362 0.344518  0.70934  0.335046  
1 1 1 80 3  12 o 0.622521 0.293055  -0.39949     0.952238 0.124447     1.44176  -0.804886    1.26821  0.787693 0.368628  0.661143 0.319144  
1 1 1 80 3  13 o 1.46774  0.367357  3.2797       1.07687  4.44817      1.56468  2.22811      1.48436  1.51526  0.468813  1.0511   0.434444  
1 1 1 80 3  14 o 0.756181 0.334724  0.607742     1.0028   0.361036     1.41016  0.860139     1.42633  0.765195 0.359253  0.824448 0.378216  
1 1 1 80 3  15 o 0.688756 0.317279  0.227278     1.01545  -0.22791     1.50068  0.611716     1.37913  0.709665 0.343402  0.778803 0.362936  
1 1 1 80 3  16 o 0.552504 0.271384  -1.03142     1.02847  -2.33672     1.58668  -0.0856217   1.35063  0.592178 0.297978  0.702413 0.336669  
1 1 1 80 3  17 o 0.555768 0.272617  -0.789789    1.03192  0.213469     1.42576  -1.8935      1.49543  0.699339 0.337766  0.573242 0.288484  
1 1 1 80 4  0  o 0.401569 0.290748  -1.4781      1.1099   -1.4781      1.1099   -1.4781      1.1099   0.309976 0.227617  ?        ?         
1 1 1 80 4  1  o 0.983617 0.326663  1.22867      0.750788 0.834023     1.06413  1.61984      1.05944  0.889758 0.367806  1.08307  0.38636   
1 1 1 80 4  2  o 0.961289 0.323664  1.16637      0.737065 0.14827      1.04588  2.1709       1.03889  0.755342 0.337507  1.24836  0.381155  
1 1 1 80 4  3  o 1.28004  0.299264  2.03143      0.75319  1.37201      1.04624  2.74084      1.08517  1.01218  0.380698  1.41202  0.37704   
1 1 1 80 4  4  o 2.13853  0.190101  4.96385      0.813076 4.4135       1.194    5.43974      1.11028  1.8616   0.332692  2.17088  0.255722  
1 1 1 80 4  5  o 2.62067  0.183848  7.43534      0.96361  6.44273      1.50818  8.12006      1.25263  2.24869  0.335346  2.67655  0.234     
1 1 1 80 4  6  o 1.9068   0.228091  4.11533      0.869845 3.40794      1.47441  4.49298      1.0773   1.44026  0.45679   1.93925  0.277762  
1 1 1 80 4  7  o 1.07444  0.341701  1.57926      0.824632 1.25483      1.4296   1.74104      1.00951  0.968772 0.414473  1.09416  0.378419  
1 1 1 80 4  8  o 0.666803 0.302558  -0.00522481  0.871842 1.21143      1.40756  -0.762556    1.11052  0.95382  0.409775  0.636443 0.305105  
1 1 1 80 4  9  o 1.18517  0.330979  1.90337      0.814295 1.89032      1.34637  1.9109       1.02251  1.07888  0.425088  1.13229  0.381219  
1 1 1 80 4  10 o 1.88395  0.262524  4.24906      0.989161 3.64081      1.4496   4.77906      1.35314  1.46631  0.450755  1.83013  0.382146  
1 1 1 80 4  11 o 1.55311  0.325073  3.24824      0.977159 3.42622      1.43168  3.09302      1.337    1.38452  0.451091  1.33558  0.43592   
1 1 1 80 4  12 o 1.34769  0.36194   2.77251      0.996408 4.74922      1.51742  1.27411      1.32114  1.62136  0.451501  0.898196 0.391551  
1 1 1 80 4  13 o 0.739749 0.331519  0.50406      1.01575  -1.24281     1.41929  2.33824      1.45433  0.631026 0.311093  1.04872  0.431286  
1 1 1 80 4  14 o 1.83823  0.280484  4.45859      1.03119  6.22226      1.52492  2.97256      1.39976  1.92936  0.407781  1.16953  0.440251  
1 1 1 80 4  15 o 0.789806 0.343865  0.831929     1.01633  1.852        1.46186  -0.122365    1.41394  0.948489 0.41267   0.710173 0.341373  
1 1 1 80 4  16 o 0.990403 0.389649  2.03055      1.12968  2.87565      1.68617  1.3423       1.52167  1.00161  0.439433  0.827196 0.38384   
1 1 1 80 5  0  o 0.96763  0.487149  1.79258      1.15098  1.79258      1.15098  1.79258      1.15098  1.08803  0.404033  ?        ?         
1 1 1 80 5  1  o 0.704262 0.300579  0.316813     0.748667 0.43365      1.01901  0.179775     1.10359  0.789813 0.344094  0.763833 0.343809  
1 1 1 80 5  2  o 0.673522 0.296357  0.148322     0.771506 0.297643     1.07227  -0.0119524   1.1109   0.77534  0.344292  0.736323 0.336112  
1 1 1 80 5  3  o 1.83178  0.249013  3.88342      0.912275 4.06109      1.53944  3.78725      1.13257  1.58565  0.459114  1.69437  0.34618   
1 1 1 80 5  4  o 2.26332  0.209095  5.70308      0.946497 3.52455      1.60677  6.86074      1.17129  1.41638  0.477879  2.44469  0.239557  
1 1 1 80 5  5  o 1.26392  0.338266  2.15956      0.872208 0.377317     1.38219  3.33885      1.12433  0.83209  0.378471  1.55072  0.367639  
1 1 1 80 5  6  o 3.83492  0.139003  15.4795      1.06613  14.3352      1.67035  16.2662      1.38492  3.52867  0.236682  3.86928  0.178963  
1 1 1 80 5  7  o 1.67445  0.257722  3.31695      0.863083 4.35914      1.49998  2.80111      1.05527  1.65134  0.444346  1.4029   0.370542  
1 1 1 80 5  8  o 1.76626  0.260558  3.7158       0.920426 2.98         1.44978  4.21263      1.19131  1.30342  0.453231  1.76377  0.350161  
1 1 1 80 5  9  o 0.556055 0.266837  -0.716731    0.854818 -0.450063    1.49043  -0.847448    1.0435   0.745039 0.356271  0.602382 0.290462  
1 1 1 80 5  10 o 1.38423  0.343048  2.72273      0.946116 2.86828      1.36994  2.59         1.30821  1.24879  0.439959  1.19979  0.429199  
1 1 1 80 5  11 o 0.560753 0.272785  -0.877318    0.974118 -1.49872     1.48389  -0.40674     1.29132  0.634022 0.313893  0.681424 0.327232  
1 1 1 80 5  12 o 1.14004  0.378239  2.2048       1.00658  3.08448      1.45102  1.38877      1.39753  1.19969  0.448902  0.89424  0.39558   
1 1 1 80 5  13 o 0.922121 0.364381  1.45647      0.991948 1.03644      1.44742  1.82846      1.36212  0.832057 0.381411  0.950798 0.405606  
1 1 1 80 5  14 o 0.577778 0.279144  -0.627747    0.976783 -0.834859    1.40816  -0.435674    1.35607  0.652411 0.319562  0.674614 0.32644   
1 1 1 80 5  15 o 1.14494  0.396452  2.56081      1.10829  1.95649      1.53212  3.22409      1.60514  0.911352 0.407822  1.09189  0.451568  
1 1 1 80 5  16 o 0.572778 0.280218  -0.575789    1.07425  -1.9887      1.50178  0.904728     1.53729  0.558822 0.282106  0.743642 0.357094  
1 1 1 80 6  0  o 0.440817 0.31217   -0.747254    1.04715  -0.747254    1.04715  -0.747254    1.04715  0.35532  0.254001  ?        ?         
1 1 1 80 6  1  o 1.00897  0.353191  1.4193       0.881643 0.947395     1.30016  1.82101      1.19957  0.905394 0.391473  1.08539  0.407757  
1 1 1 80 6  2  o 1.74968  0.268378  3.65873      0.939153 4.39242      1.36609  3.00122      1.29323  1.73677  0.401085  1.37417  0.426423  
1 1 1 80 6  3  o 0.561078 0.271393  -0.950443    0.93371  -0.597671    1.53121  -1.15927     1.17809  0.748924 0.358843  0.617352 0.300213  
1 1 1 80 6  4  o 1.31138  0.325081  2.28319      0.849431 1.3447       1.48237  2.74199      1.03647  0.975999 0.419951  1.39291  0.366916  
1 1 1 80 6  5  o 1.20761  0.345939  2.02578      0.878617 1.34368      1.48353  2.39428      1.09042  0.973691 0.419549  1.26026  0.391661  
1 1 1 80 6  6  o 3.03917  0.172247  10.0079      1.04698  7.66374      1.7645   11.2817      1.30069  2.34233  0.376654  3.17783  0.204651  
1 1 1 80 6  7  o 0.78115  0.327933  0.612295     0.86668  -0.385803    1.55436  1.06259      1.04404  0.763088 0.364645  0.899344 0.36689   
1 1 1 80 6  8  o 2.36284  0.214289  6.37309      1.01266  4.76463      1.68241  7.28692      1.26811  1.6074   0.483908  2.46127  0.257613  
1 1 1 80 6  9  o 1.38649  0.350443  2.82354      0.972788 3.65771      1.49175  2.20635      1.28315  1.36909  0.460458  1.09254  0.418555  
1 1 1 80 6  10 o 1.3423   0.370537  2.8325       1.02677  3.81767      1.66941  2.23307      1.30219  1.29467  0.482084  1.07281  0.419265  
1 1 1 80 6  11 o 1.51938  0.358652  3.52784      1.07366  4.98121      1.58414  2.29302      1.46019  1.58334  0.468092  1.03186  0.428958  
1 1 1 80 6  12 o 0.810162 0.345144  0.95194      0.983941 2.68938      1.43174  -0.603049    1.35448  1.10029  0.436824  0.658705 0.320742  
1 1 1 80 6  13 o 1.48642  0.368388  3.48578      1.09102  4.14495      1.55631  2.84879      1.52989  1.37724  0.470315  1.1085   0.447177  
1 1 1 80 6  14 o 1.23563  0.381603  2.72784      1.03732  1.94982      1.44265  3.56068      1.49261  0.924373 0.406     1.20691  0.454561  
1 1 1 80 6  15 o 0.485027 0.244063  -1.79396     1.0669   -1.73118     1.48327  -1.86126     1.53574  0.567664 0.286012  0.569568 0.287263  
1 1 1 80 7  0  o 0.629466 0.420293  0.312616     1.39109  0.312616     1.39109  0.312616     1.39109  0.569436 0.370436  ?        ?         
1 1 1 80 7  1  o 1.54925  0.313772  3.09972      0.938283 3.5928       1.39621  2.69365      1.26704  1.48861  0.439248  1.28965  0.424362  
1 1 1 80 7  2  o 0.901335 0.349906  1.07038      0.903863 1.17477      1.3944   0.994741     1.18701  0.941141 0.406151  0.898619 0.380816  
1 1 1 80 7  3  o 0.817463 0.339187  0.733007     0.910282 -0.916694    1.49376  1.70754      1.14809  0.708682 0.342871  1.05232  0.398012  
1 1 1 80 7  4  o 1.02777  0.36376   1.53762      0.937466 0.91382      1.59985  1.86381      1.15689  0.909888 0.411508  1.08727  0.40202   
1 1 1 80 7  5  o 0.676213 0.301778  0.140663     0.833881 2.25059      1.5474   -0.722837    0.989918 1.11366  0.449534  0.599817 0.287671  
1 1 1 80 7  6  o 1.09098  0.358101  1.76664      0.902254 2.0418       1.58564  1.6349       1.0972   1.0538   0.443033  1.01915  0.388026  
1 1 1 80 7  7  o 0.766459 0.324447  0.647243     0.860033 -2.33266     1.58063  1.90048      1.02505  0.613398 0.306699  1.08166  0.380621  
1 1 1 80 7  8  o 2.33377  0.202255  6.25685      0.94403  3.63065      1.66539  7.50022      1.14592  1.26828  0.479461  2.51414  0.227895  
1 1 1 80 7  9  f 1.45648  0.369925  3.30993      1.08002  2.10253      1.5761   4.37879      1.48291  0.994289 0.430477  1.51224  0.454122  
1 1 1 80 7  10 o 0.501466 0.249657  -1.58373     0.993486 -2.25902     1.47536  -1.02348     1.34384  0.577192 0.290367  0.626305 0.308463  
1 1 1 80 7  11 o 0.722209 0.327917  0.430279     1.02765  -0.383413    1.39476  1.39658      1.51993  0.683989 0.330992  0.880318 0.39946   
1 1 1 80 7  12 o 0.932666 0.366719  1.50102      1.00009  2.96597      1.41151  0.0242666    1.41718  1.16507  0.441122  0.722037 0.345783  
1 1 1 80 7  13 o 1.26076  0.38762   2.89106      1.07191  2.20389      1.45983  3.695        1.579    0.955995 0.414102  1.18675  0.462114  
1 1 1 80 7  14 o 0.815843 0.354294  1.33227      1.07374  2.4152       1.5305   0.282641     1.50678  0.908122 0.40696   0.691728 0.337085  
1 1 1 80 8  0  o 0.641737 0.432652  0.30618      1.54716  0.30618      1.54716  0.30618      1.54716  0.581812 0.383295  ?        ?         
1 1 1 80 8  1  o 0.756433 0.334247  0.402174     0.994008 0.155104     1.57257  0.566573     1.28277  0.812179 0.380962  0.825558 0.371182  
1 1 1 80 8  2  o 0.586356 0.282022  -0.751178    0.968565 -0.429563    1.48299  -0.990415    1.27904  0.739404 0.354008  0.64751  0.314229  
1 1 1 80 8  3  o 1.04956  0.358765  1.64961      0.905602 1.3212       1.54806  1.82046      1.11659  0.940081 0.416038  1.06024  0.394369  
1 1 1 80 8  4  o 2.12361  0.231849  5.31141      0.984717 4.67063      1.66526  5.65594      1.22108  1.55649  0.484067  2.1066   0.289823  
1 1 1 80 8  5  o 1.445    0.332866  2.95892      0.942805 4.70237      1.57973  1.99436      1.17501  1.57994  0.467551  1.06211  0.402376  
1 1 1 80 8  6  o 2.52929  0.218942  7.5161       1.10754  7.36294      1.80795  7.6081       1.40124  2.06098  0.451     2.41629  0.289956  
1 1 1 80 8  7  o 1.07915  0.354832  1.84922      0.885854 1.71343      1.59847  1.90942      1.06423  0.939334 0.418549  1.04561  0.385791  
1 1 1 80 8  8  o 1.3579   0.374209  2.97607      1.04831  2.39933      1.72467  3.31401      1.32018  1.0068   0.443048  1.30644  0.433169  
1 1 1 80 8  9  o 1.38667  0.40863   3.43796      1.20911  5.4874       1.75821  1.59906      1.66544  1.55391  0.499426  0.895978 0.410051  
1 1 1 80 8  10 o 1.15168  0.391326  2.36795      1.07745  1.13859      1.57032  3.46153      1.48107  0.852845 0.393508  1.25983  0.456076  
1 1 1 80 8  11 o 0.827381 0.351472  1.06082      1.01518  -0.0222814   1.48662  2.00722      1.38965  0.72103  0.347431  0.97107  0.411807  
1 1 1 80 8  12 o 0.784107 0.341473  0.977654     1.00272  1.10018      1.43326  0.860193     1.40333  0.797997 0.371149  0.770354 0.36108   
1 1 1 80 8  13 o 1.02912  0.379474  2.22413      1.02943  2.5708       1.43528  1.85687      1.47729  0.952795 0.411631  0.844879 0.386468  
1 1 1 80 9  0  o 0.94803  0.5439    2.33328      1.61204  2.33328      1.61204  2.33328      1.61204  1.10316  0.49112   ?        ?         
1 1 1 80 9  1  o 1.18105  0.389248  2.35077      1.06603  1.78551      1.58052  2.82255      1.44392  0.967569 0.424966  1.17698  0.446003  
1 1 1 80 9  2  f 1.03933  0.366818  1.75862      0.952694 1.63468      1.51836  1.8391       1.22351  0.946284 0.416066  1.00955  0.402863  
1 1 1 80 9  3  o 0.890752 0.354049  1.21821      0.941548 -0.107055    1.51511  2.05202      1.20178  0.74197  0.355858  1.05699  0.405028  
1 1 1 80 9  4  o 0.546027 0.267141  -1.01891     0.976562 -2.9651      1.66721  -0.00242824  1.2049   0.589805 0.297642  0.703283 0.330657  
1 1 1 80 9  5  o 2.53251  0.216926  7.56721      1.09873  7.85871      1.74763  7.37669      1.41289  2.1895   0.41417   2.3404   0.301848  
1 1 1 80 9  6  o 1.34067  0.368265  2.87133      1.01728  2.88872      1.66073  2.86088      1.287    1.08959  0.455495  1.20156  0.426117  
1 1 1 80 9  7  f 2.21267  0.243153  6.07537      1.07603  9.45739      1.79277  4.17095      1.3453   2.48798  0.360287  1.50762  0.426851  
1 1 1 80 9  8  o 0.610547 0.294368  -0.529983    1.07106  0.219408     1.68816  -1.03487     1.38567  0.76835  0.370233  0.633131 0.311857  
1 1 1 80 9  9  o 1.28315  0.410294  3.01335      1.18775  2.23733      1.63148  3.8885       1.73255  0.988163 0.4329    1.23744  0.483607  
1 1 1 80 9  10 f 0.956129 0.374764  1.68674      1.04201  1.04459      1.58303  2.17767      1.38415  0.820014 0.384203  0.99014  0.41499   
1 1 1 80 9  11 o 0.716556 0.326993  0.629093     1.05042  -0.980974    1.58536  1.88903      1.40243  0.632072 0.314777  0.883486 0.392899  
1 1 1 80 10 0  o 0.58438  0.406219  0.009119     1.5855   0.009119     1.5855   0.009119     1.5855   0.522382 0.357544  ?        ?         
1 1 1 80 10 1  o 1.19189  0.41717   2.71959      1.22995  3.5013       1.87315  2.12711      1.63075  1.14097  0.480692  0.982751 0.43165   
1 1 1 80 10 2  o 1.2677   0.379731  2.67589      1.03774  3.2156       1.58291  2.26907      1.37429  1.17218  0.461214  1.04249  0.422472  
1 1 1 80 10 3  o 0.737792 0.3273    0.55976      0.965878 1.198        1.61046  0.201214     1.20707  0.859113 0.397202  0.716717 0.335749  
1 1 1 80 10 4  o 1.10044  0.374897  2.09889      0.988874 1.75628      1.64588  2.29243      1.23704  0.917191 0.415962  1.06909  0.410562  
1 1 1 80 10 5  o 0.921646 0.362274  1.44254      0.975712 -0.0333208   1.58312  2.34654      1.23901  0.735015 0.355155  1.08175  0.4122    
1 1 1 80 10 6  o 0.851006 0.357864  1.137        1.035    2.79362      1.71088  0.180793     1.29983  1.05827  0.453111  0.726165 0.342004  
1 1 1 80 10 7  o 0.670961 0.318001  -0.116101    1.14785  0.412598     1.64081  -0.622831    1.60636  0.782743 0.374183  0.698126 0.341803  
1 1 1 80 10 8  o 0.728015 0.330745  0.499399     1.04879  0.590327     1.57921  0.427648     1.40283  0.781035 0.371506  0.752564 0.354688  
1 1 1 80 10 9  f 0.661316 0.314522  0.0247597    1.1316   0.417911     1.60755  -0.361401    1.59319  0.743252 0.358911  0.685199 0.33695   
1 1 1 80 10 10 o 1.90492  0.294353  5.28957      1.12144  3.72552      1.68347  6.53733      1.50364  1.05446  0.450408  1.83498  0.418787  
1 1 1 80 11 0  o 1.18881  0.596332  3.57547      1.72231  3.57547      1.72231  3.57547      1.72231  1.50904  0.462704  ?        ?         
1 1 1 80 11 1  o 0.669491 0.317048  -0.103754    1.13893  0.0735592    1.9061   -0.202212    1.42036  0.774002 0.377527  0.703638 0.339185  
1 1 1 80 11 2  o 0.670397 0.315791  -0.0541899   1.1091   -0.281546    1.69389  0.116432     1.4674   0.73155  0.356653  0.739363 0.353545  
1 1 1 80 11 3  o 1.57389  0.346731  3.69142      1.06202  2.78234      1.6558   4.32677      1.38425  1.07058  0.451533  1.54012  0.432003  
1 1 1 80 11 4  o 0.772165 0.340842  0.712398     1.02997  0.926076     1.55668  0.546017     1.37363  0.82987  0.386291  0.776676 0.362047  
1 1 1 80 11 5  o 1.05649  0.38382   2.02452      1.04977  3.09462      1.68426  1.34472      1.34241  1.10161  0.459497  0.873442 0.386871  
1 1 1 80 11 6  o 1.49675  0.371464  3.6289       1.10815  2.65064      1.75632  4.27592      1.42835  1.00164  0.44323   1.45547  0.447442  
1 1 1 80 11 7  o 0.7966   0.356372  1.02102      1.16921  0.927054     1.55358  1.14375      1.77559  0.788565 0.372125  0.811119 0.388107  
1 1 1 80 11 8  o 0.6121   0.29734   -0.326495    1.15025  -0.749038    1.55525  0.183707     1.70898  0.634443 0.315375  0.70441  0.346976  
1 1 1 80 12 0  o 2.44429  0.509312  9.20325      2.19424  9.20325      2.19424  9.20325      2.19424  2.77593  0.286454  ?        ?         
1 1 1 80 12 1  o 0.846054 0.375902  1.20635      1.28057  0.10815      1.99956  1.96997      1.66738  0.771589 0.378805  0.929745 0.420316  
1 1 1 80 12 2  o 0.808515 0.35606   0.983395     1.11562  1.20258      1.67289  0.807846     1.49714  0.839889 0.393773  0.795608 0.372923  
1 1 1 80 12 3  o 1.6572   0.366553  4.36148      1.18255  2.78421      1.64868  6.03277      1.69712  1.03238  0.443504  1.68947  0.479777  
1 1 1 80 12 4  o 1.24545  0.411317  3.07382      1.19034  2.11151      1.7204   3.95755      1.64867  0.911495 0.416989  1.20936  0.471935  
1 1 1 80 12 5  o 0.766705 0.348845  0.912198     1.17639  1.54238      1.63973  0.243821     1.68869  0.829661 0.389135  0.721919 0.35275   
1 1 1 80 12 6  o 0.660058 0.311084  0.282555     1.07903  -0.607269    1.55914  1.1005       1.49485  0.637127 0.316579  0.761192 0.361773  
1 1 1 80 12 7  o 0.754327 0.345211  0.976753     1.18027  0.36858      1.56649  1.77536      1.79507  0.701241 0.342075  0.81161  0.388795  
1 1 1 80 13 0  o 0.508357 0.367819  -0.808821    1.73794  -0.808821    1.73794  -0.808821    1.73794  0.43834  0.316088  ?        ?         
1 1 1 80 13 1  o 0.779332 0.356549  1.13095      1.25803  0.724651     1.8154   1.50632      1.74494  0.741539 0.36313   0.799301 0.383002  
1 1 1 80 13 2  o 0.581502 0.287817  -0.862207    1.2456   -4.39831     1.88241  1.8921       1.66133  ?        ?         0.830304 0.389842  
1 1 1 80 13 3  o 0.835265 0.367687  1.51668      1.18865  0.621546     1.67951  2.415        1.68251  0.723906 0.353324  0.883073 0.407405  
1 1 1 80 13 4  o 0.873253 0.372289  1.69869      1.14624  2.11487      1.65898  1.31852      1.58558  0.85362  0.397901  0.779963 0.371593  
1 1 1 81 0  0  o 3.01124  0.26707   9.86855      1.57932  9.86855      1.57932  9.86855      1.57932  3.07837  0.182864  ?        ?         
1 1 1 81 0  1  o 0.519575 0.344278  0.0366787    0.899665 0.0366787    0.899665 0.0366787    0.899665 0.44785  0.293981  ?        ?         
1 1 1 81 0  2  o 0.510755 0.343422  -0.110812    0.963048 -0.110812    0.963048 -0.110812    0.963048 0.431994 0.28995   ?        ?         
1 1 1 81 0  3  o 0.473361 0.329191  -0.560618    1.05109  -0.560618    1.05109  -0.560618    1.05109  0.383542 0.269361  ?        ?         
1 1 1 81 0  4  o 2.49741  0.240246  6.74108      1.17448  6.74108      1.17448  6.74108      1.17448  2.54836  0.164517  ?        ?         
1 1 1 81 0  5  o 0.995673 0.469443  1.72499      1.04669  1.72499      1.04669  1.72499      1.04669  1.11097  0.37382   ?        ?         
1 1 1 81 0  6  o 2.2395   0.245553  5.48553      1.06965  5.48553      1.06965  5.48553      1.06965  2.29264  0.166989  ?        ?         
1 1 1 81 0  7  o 1.10185  0.482013  2.06936      1.098    2.06936      1.098    2.06936      1.098    1.2515   0.358231  ?        ?         
1 1 1 81 0  8  o 3.05794  0.201311  9.90153      1.21895  9.90153      1.21895  9.90153      1.21895  3.10302  0.139528  ?        ?         
1 1 1 81 0  9  o 0.94034  0.480223  1.69498      1.12762  1.69498      1.12762  1.69498      1.12762  1.04902  0.4034    ?        ?         
1 1 1 81 0  10 o 2.24297  0.351266  6.08567      1.46032  6.08567      1.46032  6.08567      1.46032  2.36467  0.222889  ?        ?         
1 1 1 81 0  11 o 1.33259  0.54991   3.20707      1.44619  3.20707      1.44619  3.20707      1.44619  1.57143  0.375311  ?        ?         
1 1 1 81 0  12 o 0.604734 0.413241  0.0135571    1.4845   0.0135571    1.4845   0.0135571    1.4845   0.531762 0.357851  ?        ?         
1 1 1 81 0  13 o 0.466823 0.337148  -1.39862     1.42639  -1.39862     1.42639  -1.39862     1.42639  0.374292 0.2717    ?        ?         
1 1 1 81 0  14 o 0.46849  0.338716  -1.31161     1.45965  -1.31161     1.45965  -1.31161     1.45965  0.381117 0.27627   ?        ?         
1 1 1 81 0  15 f 0.450159 0.325951  -1.3935      1.40872  -1.3935      1.40872  -1.3935      1.40872  0.363929 0.265419  ?        ?         
1 1 1 81 0  16 o 0.630434 0.420359  0.627058     1.3801   0.627058     1.3801   0.627058     1.3801   0.600728 0.38201   ?        ?         
1 1 1 81 0  17 o 1.17182  0.576842  3.35623      1.59978  3.35623      1.59978  3.35623      1.59978  1.47822  0.440263  ?        ?         
1 1 1 81 0  18 o 0.55421  0.386671  0.180015     1.48206  0.180015     1.48206  0.180015     1.48206  0.507224 0.346769  ?        ?         
1 1 1 81 1  0  o 0.600008 0.382963  0.367688     0.988726 0.367688     0.988726 0.367688     0.988726 0.54485  0.335997  ?        ?         
1 1 1 81 1  1  f 1.36455  0.257964  2.14864      0.678355 3.35828      0.9704   0.992631     0.948646 1.67616  0.300348  0.930497 0.359038  
1 1 1 81 1  2  o 2.17031  0.176109  4.99889      0.764423 4.03681      1.09596  5.91036      1.06674  1.8552   0.295375  2.31228  0.23067   
1 1 1 81 1  3  o 0.774281 0.314293  0.521828     0.762296 -0.0460095   1.05291  1.14734      1.10508  0.736379 0.333394  0.977409 0.385115  
1 1 1 81 1  4  o 2.77781  0.145362  8.05707      0.807576 7.31431      1.12464  8.84778      1.16037  2.57919  0.218021  2.85358  0.203318  
1 1 1 81 1  5  o 2.23269  0.177685  5.32874      0.793428 3.56686      1.13518  7.01157      1.10942  1.65991  0.352571  2.51772  0.220323  
1 1 1 81 1  6  o 2.2255   0.182324  5.32981      0.811525 4.5722       1.15891  6.05874      1.13675  1.95038  0.297098  2.30643  0.246431  
1 1 1 81 1  7  o 2.33237  0.18417   5.88315      0.859107 5.88076      1.13743  5.88634      1.31086  2.25956  0.251694  2.20382  0.297407  
1 1 1 81 1  8  o 1.4132   0.30901   2.53298      0.849349 2.35116      1.26399  2.68266      1.14686  1.22455  0.423446  1.35189  0.39784   
1 1 1 81 1  9  o 1.12831  0.364977  1.81743      0.93789  1.3714       1.28927  2.31879      1.36688  0.984841 0.405723  1.18299  0.437071  
1 1 1 81 1  10 o 0.697052 0.315091  0.0756122    0.936817 0.429656     1.28138  -0.330926    1.37309  0.819656 0.369617  0.74282  0.350333  
1 1 1 81 1  11 o 1.28341  0.364267  2.36346      0.978555 0.960773     1.33683  3.9826       1.43628  0.901598 0.393443  1.57115  0.439833  
1 1 1 81 1  12 o 0.538403 0.265205  -1.36472     0.998536 -0.401465    1.38062  -2.42127     1.44593  0.72491  0.345746  0.590925 0.295168  
1 1 1 81 1  13 o 0.606013 0.289865  -0.49716     0.988219 -1.19435     1.39284  0.209544     1.40231  0.639244 0.314577  0.764035 0.358626  
1 1 1 81 1  14 o 0.646601 0.30541   -0.209693    1.05067  -0.226429    1.38034  -0.186642    1.62002  0.704698 0.338389  0.739088 0.357493  
1 1 1 81 1  15 o 0.692502 0.32003   0.22409      1.04398  1.65452      1.54006  -0.992117    1.42006  0.909104 0.407793  0.640028 0.315247  
1 1 1 81 1  16 o 0.633305 0.299932  -0.207396    1.01942  -1.08872     1.41729  0.737315     1.46738  0.6338   0.312138  0.798882 0.373095  
1 1 1 81 1  17 o 0.75159  0.339278  0.812781     1.08247  2.10388      1.52134  -0.511086    1.54053  0.90901  0.40659   0.660621 0.325346  
1 1 1 81 2  0  o 0.847258 0.454317  1.33398      1.0445   1.33398      1.0445   1.33398      1.0445   0.909614 0.395266  ?        ?         
1 1 1 81 2  1  f 0.865708 0.320434  0.87425      0.735363 -0.127947    1.07606  1.75239      1.00726  0.723171 0.330396  1.12935  0.378367  
1 1 1 81 2  2  o 1.74675  0.225298  3.39791      0.78708  3.91507      1.14011  2.92701      1.08792  1.75612  0.336618  1.47578  0.369156  
1 1 1 81 2  3  f 1.78345  0.209841  3.50003      0.74848  2.63329      1.08805  4.27864      1.03125  1.37908  0.381761  1.91645  0.269053  
1 1 1 81 2  4  f 2.26149  0.182067  5.51089      0.823488 6.24355      1.17951  4.81416      1.15022  2.33048  0.253061  2.01037  0.286072  
1 1 1 81 2  5  o 1.59406  0.260327  2.95757      0.829957 2.00933      1.17192  3.91169      1.17556  1.16081  0.407123  1.72272  0.353346  
1 1 1 81 2  6  o 0.882465 0.333194  0.960692     0.80344  1.3841       1.17871  0.593253     1.09804  0.998524 0.396372  0.831011 0.359541  
1 1 1 81 2  7  o 0.996562 0.351747  1.36114      0.876029 0.868497     1.28268  1.79182      1.1993   0.896165 0.388175  1.08524  0.407709  
1 1 1 81 2  8  o 1.48489  0.300964  2.7902       0.862623 3.29045      1.29271  2.38863      1.15821  1.45631  0.420411  1.24351  0.405727  
1 1 1 81 2  9  o 0.729892 0.322331  0.284532     0.92258  -0.105088    1.27048  0.719183     1.34189  0.746722 0.348125  0.868665 0.385517  
1 1 1 81 2  10 o 3.21964  0.176933  11.2896      1.13932  12.9056      1.60188  9.63528      1.62077  3.3303   0.240502  2.78882  0.290584  
1 1 1 81 2  11 o 0.861875 0.355782  0.951545     0.993507 -0.0674328   1.42135  1.92504      1.38926  0.762957 0.358835  1.05455  0.425833  
1 1 1 81 2  12 o 0.731622 0.328712  0.400513     1.00424  1.26773      1.40863  -0.4958      1.43207  0.899166 0.397532  0.700312 0.338284  
1 1 1 81 2  13 o 0.938833 0.379942  1.52311      1.10938  1.73341      1.63804  1.34492      1.50784  0.936007 0.420196  0.889485 0.401037  
1 1 1 81 2  14 o 1.19561  0.39248   2.56258      1.08381  2.81934      1.42632  2.21176      1.6672   1.12427  0.438912  0.971595 0.430642  
1 1 1 81 2  15 o 0.525476 0.260922  -1.47586     1.04997  -0.0597437   1.53244  -2.72888     1.4415   0.73181  0.352654  0.548846 0.276928  
1 1 1 81 2  16 o 0.711686 0.325394  0.489518     1.04594  0.925476     1.49465  0.0711621    1.46417  0.787796 0.369863  0.706039 0.341223  
1 1 1 81 3  0  o 0.700973 0.433606  0.812762     1.17132  0.812762     1.17132  0.812762     1.17132  0.681415 0.390251  ?        ?         
1 1 1 81 3  1  o 2.20727  0.190456  5.30354      0.840778 5.29539      1.29005  5.30957      1.10856  2.06938  0.311699  2.13577  0.259523  
1 1 1 81 3  2  o 1.09046  0.332077  1.57672      0.789256 1.11111      1.18382  1.94928      1.05894  0.943527 0.388753  1.15943  0.387951  
1 1 1 81 3  3  o 0.73219  0.306612  0.432433     0.7545   0.0577857    1.08763  0.779971     1.04755  0.740441 0.336503  0.860601 0.360874  
1 1 1 81 3  4  o 2.40472  0.184415  6.28674      0.886932 5.89656      1.19859  6.75897      1.31861  2.23169  0.268538  2.37701  0.277368  
1 1 1 81 3  5  o 0.985884 0.354929  1.33355      0.895889 3.65315      1.4311   -0.161325    1.14885  1.50985  0.444444  0.719277 0.33367   
1 1 1 81 3  6  o 1.68649  0.267963  3.39767      0.903833 0.710044     1.45699  5.07893      1.15236  0.882672 0.396273  2.04592  0.281624  
1 1 1 81 3  7  o 2.05684  0.235507  4.87478      0.968799 4.2918       1.47895  5.31296      1.2822   1.64536  0.440537  2.04752  0.31311   
1 1 1 81 3  8  o 0.692366 0.309773  0.13782      0.883629 0.629274     1.30107  -0.282936    1.20386  0.848245 0.377796  0.709658 0.332954  
1 1 1 81 3  9  o 1.24122  0.352925  2.18654      0.917769 3.09193      1.3309   1.36565      1.26728  1.36373  0.43414   0.965882 0.400455  
1 1 1 81 3  10 o 0.684757 0.312615  0.056893     0.961354 1.70251      1.414    -1.35761     1.31096  1.00046  0.419384  0.621739 0.305714  
1 1 1 81 3  11 o 0.995563 0.363726  1.59493      0.943878 -0.418984    1.37477  3.39078      1.29821  0.696392 0.335202  1.3789   0.427114  
1 1 1 81 3  12 o 0.950571 0.367658  1.51446      0.995979 1.51403      1.49145  1.51481      1.33806  0.91184  0.405352  0.919055 0.397255  
1 1 1 81 3  13 o 0.626167 0.296063  -0.201289    0.989641 0.616426     1.37587  -1.07786     1.42452  0.777217 0.362316  0.634288 0.312454  
1 1 1 81 3  14 o 1.3082   0.379848  2.83091      1.05231  2.72256      1.49022  2.93868      1.48617  1.10274  0.442791  1.14667  0.447951  
1 1 1 81 3  15 o 1.77914  0.338406  4.75273      1.16072  5.50254      1.64264  4.00497      1.64039  1.58417  0.478405  1.24013  0.473782  
1 1 1 81 3  16 o 0.807701 0.351907  1.28329      1.06594  1.53651      1.53672  1.04848      1.47981  0.803104 0.376685  0.75626  0.359676  
1 1 1 81 4  0  o 2.02172  0.369534  5.07248      1.34486  5.07248      1.34486  5.07248      1.34486  2.14988  0.226951  ?        ?         
1 1 1 81 4  1  o 2.44949  0.175297  6.49032      0.858778 5.75289      1.20863  7.24224      1.22045  2.18815  0.276176  2.50168  0.243926  
1 1 1 81 4  2  o 1.41233  0.29179   2.49494      0.796135 2.68555      1.1906   2.34078      1.07073  1.32237  0.408914  1.25748  0.387566  
1 1 1 81 4  3  o 1.67549  0.2722    3.37094      0.912135 3.56652      1.50638  3.25772      1.14614  1.44564  0.462042  1.51119  0.379444  
1 1 1 81 4  4  o 1.58992  0.295402  3.16799      0.904181 1.3767       1.54609  4.09907      1.11467  0.983747 0.426143  1.77652  0.325885  
1 1 1 81 4  5  o 1.82198  0.250545  3.89347      0.912974 4.45515      1.41088  3.48884      1.19749  1.72429  0.413776  1.55305  0.386582  
1 1 1 81 4  6  o 2.84588  0.171263  8.76188      0.974786 6.5046       1.57427  10.1655      1.2414   2.18789  0.359768  3.01619  0.205789  
1 1 1 81 4  7  o 1.95222  0.234913  4.41261      0.917203 3.18985      1.5237   5.10746      1.14862  1.32467  0.464258  2.04199  0.281249  
1 1 1 81 4  8  o 1.36895  0.365908  2.71803      1.02139  1.86015      1.43098  3.60905      1.45835  1.04485  0.428434  1.43685  0.454151  
1 1 1 81 4  9  o 1.5338   0.329323  3.25593      0.98114  3.23619      1.48212  3.27134      1.30903  1.28599  0.457156  1.3677   0.429949  
1 1 1 81 4  10 f 1.04274  0.369207  1.78879      0.96584  2.61883      1.3894   1.01262      1.34356  1.14025  0.435914  0.85356  0.381933  
1 1 1 81 4  11 o 2.37885  0.218261  6.69919      1.03842  7.31593      1.56982  6.21937      1.38464  2.22445  0.352855  2.0922   0.330906  
1 1 1 81 4  12 o 0.677267 0.313457  0.161099     1.00638  0.986233     1.50594  -0.504758    1.35281  0.82675  0.382949  0.665119 0.322896  
1 1 1 81 4  13 o 0.922949 0.363863  1.42554      0.987008 0.325708     1.40133  2.50831      1.39041  0.755498 0.355611  1.0862   0.430712  
1 1 1 81 4  14 o 0.801707 0.347394  0.982862     1.02808  0.653134     1.38657  1.38547      1.53215  0.766676 0.359277  0.853532 0.391741  
1 1 1 81 4  15 o 0.563181 0.277456  -0.815627    1.12405  -0.140057    1.52992  -1.60803     1.65694  0.663476 0.32679   0.597632 0.301354  
1 1 1 81 5  0  o 0.47093  0.328267  -0.489491    1.06323  -0.489491    1.06323  -0.489491    1.06323  0.387681 0.271877  ?        ?         
1 1 1 81 5  1  o 0.551733 0.265892  -0.829747    0.871473 -2.32328     1.40843  0.0968016    1.10933  0.594399 0.29611   0.74029  0.337343  
1 1 1 81 5  2  o 0.727271 0.319359  0.308658     0.892207 -0.395771    1.40428  0.785494     1.15537  0.74081  0.351402  0.858846 0.370158  
1 1 1 81 5  3  o 0.655304 0.297802  -0.0266655   0.851707 -1.51727     1.45536  0.749756     1.05036  0.656591 0.322612  0.839331 0.357057  
1 1 1 81 5  4  o 1.48191  0.323563  2.89892      0.932484 1.32456      1.58643  3.72998      1.15262  0.96783  0.425416  1.63947  0.36125   
1 1 1 81 5  5  o 1.96763  0.242521  4.52743      0.954386 5.78423      1.56394  3.78169      1.20471  1.97118  0.410265  1.62364  0.377759  
1 1 1 81 5  6  o 2.20919  0.208094  5.51037      0.91944  3.07741      1.65124  6.60368      1.10691  1.24786  0.475751  2.38673  0.231889  
1 1 1 81 5  7  o 1.08035  0.35025   1.73533      0.863375 1.94474      1.55803  1.64253      1.03719  1.02377  0.435174  1.01802  0.379805  
1 1 1 81 5  8  o 0.805301 0.347858  0.80485      1.02471  1.58895      1.51255  0.139679     1.39313  0.943745 0.415107  0.754472 0.354965  
1 1 1 81 5  9  o 0.67222  0.309758  0.0952952    0.968866 -0.0321013   1.53127  0.180346     1.25115  0.746629 0.35801   0.731287 0.34244   
1 1 1 81 5  10 o 1.24518  0.362756  2.47969      0.958179 3.81769      1.45923  1.46551      1.27044  1.36078  0.45541   0.906293 0.389328  
1 1 1 81 5  11 o 1.63683  0.329959  3.87302      1.04228  4.12526      1.54588  3.66278      1.41131  1.37176  0.468737  1.33291  0.447871  
1 1 1 81 5  12 o 1.29368  0.37177   2.72803      1.01314  4.17847      1.48488  1.4646       1.38585  1.43191  0.458841  0.897647 0.39591   
1 1 1 81 5  13 o 1.51311  0.361051  3.65208      1.07895  3.67285      1.48688  3.62897      1.56809  1.25133  0.456578  1.20178  0.462045  
1 1 1 81 5  14 o 0.486087 0.244531  -1.68998     1.04628  -1.6318      1.4706   -1.74962     1.48891  0.569954 0.286796  0.567795 0.286176  
1 1 1 81 6  0  o 1.47975  0.505801  3.49246      1.34124  3.49246      1.34124  3.49246      1.34124  1.70235  0.309035  ?        ?         
1 1 1 81 6  1  o 0.900332 0.362626  1.08134      1.00381  0.597999     1.46349  1.51075      1.37944  0.85503  0.389048  0.989893 0.414558  
1 1 1 81 6  2  o 0.75635  0.327584  0.466968     0.913348 0.6617       1.48466  0.348397     1.15851  0.864011 0.392792  0.778711 0.351285  
1 1 1 81 6  3  o 0.701373 0.315566  0.171126     0.928779 0.860837     1.54606  -0.218336    1.16178  0.888258 0.40298   0.699308 0.327915  
1 1 1 81 6  4  o 0.711444 0.314136  0.319194     0.875811 1.39548      1.5987   -0.142324    1.04688  0.949765 0.421241  0.677741 0.315982  
1 1 1 81 6  5  o 1.55256  0.295481  3.14985      0.884453 2.6284       1.54526  3.4039       1.0786   1.13717  0.453073  1.53023  0.358364  
1 1 1 81 6  6  o 0.619265 0.287422  -0.112734    0.853858 0.183606     1.55717  -0.240145    1.02105  0.778393 0.369612  0.645025 0.303593  
1 1 1 81 6  7  o 0.816888 0.344622  0.906936     0.964931 -0.907215    1.56312  2.0239       1.22652  0.68461  0.335725  1.04209  0.406975  
1 1 1 81 6  8  o 0.973403 0.37693   1.64696      1.04749  2.83105      1.63913  0.829582     1.36185  1.09517  0.45483   0.816444 0.372509  
1 1 1 81 6  9  o 0.967848 0.367812  1.62267      0.984357 1.87339      1.60285  1.47085      1.24728  0.936931 0.418254  0.901643 0.386493  
1 1 1 81 6  10 f 1.10455  0.373173  2.08854      0.979801 2.91726      1.52847  1.51046      1.27659  1.12203  0.449309  0.908684 0.39031   
1 1 1 81 6  11 o 1.1279   0.37688   2.20208      0.999364 3.0193       1.40109  1.3557       1.42586  1.18165  0.441317  0.874256 0.392267  
1 1 1 81 6  12 o 0.577719 0.279517  -0.549572    0.992991 -0.385916    1.42601  -0.703628    1.38356  0.668657 0.326215  0.639312 0.314261  
1 1 1 81 6  13 o 1.44766  0.361929  3.62441      1.04616  4.15398      1.44482  3.04076      1.51679  1.26456  0.451184  1.00471  0.428291  
1 1 1 81 7  0  o 0.699034 0.451413  0.938547     1.4241   0.938547     1.4241   0.938547     1.4241   0.689742 0.414534  ?        ?         
1 1 1 81 7  1  o 0.985325 0.370487  1.56296      0.990729 2.15389      1.56337  1.16638      1.28072  1.03582  0.437901  0.887648 0.38623   
1 1 1 81 7  2  o 1.36201  0.373135  2.88911      1.04607  4.20832      1.60936  1.92401      1.37651  1.43461  0.478264  1.01226  0.418376  
1 1 1 81 7  3  o 1.35348  0.389966  2.98914      1.11332  4.17542      1.5854   1.83501      1.56377  1.43176  0.474691  0.975089 0.425521  
1 1 1 81 7  4  o 1.01007  0.362763  1.65257      0.935378 -1.65213     1.55241  3.53614      1.17201  0.636523 0.316226  1.48598  0.389589  
1 1 1 81 7  5  f 1.04207  0.370619  1.81493      0.974214 0.920292     1.54518  2.40521      1.25511  0.842628 0.389384  1.12002  0.417814  
1 1 1 81 7  6  o 0.94721  0.353786  1.44979      0.900452 1.93314      1.62911  1.23717      1.08051  0.958386 0.425126  0.87786  0.367222  
1 1 1 81 7  7  o 0.717868 0.322319  0.452312     0.964141 -1.56509     1.62376  1.5509       1.19824  0.64141  0.319307  0.923081 0.386462  
1 1 1 81 7  8  o 0.595665 0.287978  -0.60735     1.0463   -0.685562    1.63355  -0.552943    1.36245  0.694209 0.34132   0.66413  0.322927  
1 1 1 81 7  9  o 1.89047  0.28932   4.75186      1.0939   4.18554      1.79801  5.08467      1.37835  1.27479  0.493794  1.75925  0.400588  
1 1 1 81 7  10 o 1.37194  0.378577  3.13357      1.07206  3.83552      1.58859  2.54653      1.45275  1.26564  0.470468  1.05404  0.431854  
1 1 1 81 7  11 o 0.891292 0.366355  1.51873      1.04886  0.659293     1.50462  2.33114      1.46288  0.755135 0.360347  0.963967 0.416002  
1 1 1 81 7  12 o 0.608454 0.29155   -0.0919705   1.01104  -0.681349    1.44662  0.470807     1.4136   0.619559 0.30745   0.701399 0.338173  
1 1 1 81 8  0  o 0.879716 0.531402  2.11861      1.67368  2.11861      1.67368  2.11861      1.67368  0.992873 0.494925  ?        ?         
1 1 1 81 8  1  o 1.36566  0.386213  3.06808      1.10195  5.82271      1.73956  1.22183      1.42414  1.70026  0.486667  0.87313  0.391889  
1 1 1 81 8  2  o 2.31161  0.240628  6.52978      1.11248  5.49591      1.64911  7.39319      1.50703  1.68021  0.471596  2.28596  0.329628  
1 1 1 81 8  3  o 1.12018  0.374344  2.12106      0.985962 1.69014      1.53199  2.42575      1.2882   0.929301 0.412237  1.10087  0.420065  
1 1 1 81 8  4  o 0.742236 0.33576   0.517441     1.06567  0.205741     1.58701  0.773402     1.43813  0.761021 0.364804  0.80675  0.373893  
1 1 1 81 8  5  o 1.56795  0.357156  3.7736       1.09535  5.33002      1.65939  2.57177      1.45816  1.59112  0.480904  1.06818  0.434319  
1 1 1 81 8  6  o 0.673524 0.31547   0.0507814    1.06428  0.428083     1.57102  -0.269247    1.44687  0.775025 0.369451  0.700081 0.338491  
1 1 1 81 8  7  o 0.608864 0.291018  -0.385748    0.99155  -0.693623    1.6107   -0.197876    1.25822  0.694746 0.340727  0.682375 0.326554  
1 1 1 81 8  8  o 0.570099 0.277717  -0.804169    1.01952  -0.509515    1.63114  -0.993084    1.30607  0.704559 0.34483   0.61867  0.304507  
1 1 1 81 8  9  f 0.837854 0.364474  1.18783      1.13998  0.895558     1.57131  1.5126       1.65641  0.800924 0.376867  0.865388 0.401144  
1 1 1 81 8  10 o 0.986145 0.377985  2.00976      1.04689  0.164795     1.57873  3.45777      1.39862  0.701321 0.342347  1.16946  0.440102  
1 1 1 81 9  0  o 0.692838 0.471648  0.944949     1.90547  0.944949     1.90547  0.944949     1.90547  0.674962 0.436987  ?        ?         
1 1 1 81 9  1  o 1.29742  0.418175  3.17273      1.23203  3.41435      1.65888  2.87553      1.83983  1.16685  0.467741  1.03778  0.457137  
1 1 1 81 9  2  o 2.25221  0.256026  6.4155       1.15325  6.58087      1.64217  6.25459      1.61992  1.92719  0.436165  1.8627   0.441088  
1 1 1 81 9  3  o 0.751591 0.333163  0.628652     0.9982   1.61087      1.5994   0.00195983   1.27755  0.904574 0.410153  0.702914 0.334252  
1 1 1 81 9  4  o 1.10344  0.379404  2.12054      1.0135   5.39644      1.77323  0.531185     1.23512  1.5414   0.502023  0.761505 0.350434  
1 1 1 81 9  5  o 1.03848  0.373536  1.86395      0.99209  0.397003     1.54342  2.8968       1.29508  0.775259 0.368054  1.20661  0.427499  
1 1 1 81 9  6  o 2.48972  0.264691  7.976        1.31801  6.53397      1.81353  9.59034      1.91883  1.75743  0.494962  2.41361  0.397501  
1 1 1 81 9  7  o 0.740034 0.341455  0.52462      1.18234  -0.0974475   1.6613   1.16311      1.68308  0.72511  0.353458  0.831392 0.390864  
1 1 1 81 9  8  o 0.635281 0.305249  -0.163781    1.12768  -0.544308    1.55573  0.257501     1.63693  0.661581 0.326048  0.724124 0.352597  
1 1 1 81 9  9  o 0.768783 0.348756  1.07903      1.15781  -0.807985    1.61046  3.0978       1.66573  0.63144  0.314852  0.96968  0.430039  
1 1 1 81 10 0  o 0.898443 0.547605  2.4143       1.81325  2.4143       1.81325  2.4143       1.81325  1.03702  0.515438  ?        ?         
1 1 1 81 10 1  o 1.28104  0.422436  3.14935      1.25557  2.57914      1.58588  4.10708      2.05529  1.0431   0.441014  1.15823  0.496294  
1 1 1 81 10 2  o 0.780858 0.347443  0.777303     1.098    2.27149      1.6888   -0.316809    1.44513  0.976845 0.433138  0.693609 0.335867  
1 1 1 81 10 3  o 0.640572 0.306344  -0.262422    1.10262  0.555881     1.607    -0.99038     1.51569  0.781765 0.3729    0.652443 0.321612  
1 1 1 81 10 4  f 1.29419  0.388007  2.93692      1.08315  0.98106      1.62729  4.49277      1.45137  0.815481 0.383659  1.49406  0.449389  
1 1 1 81 10 5  o 0.999044 0.400964  2.12407      1.22116  1.67507      1.661    2.65225      1.8015   0.870417 0.402794  0.967768 0.437232  
1 1 1 81 10 6  o 2.20067  0.290974  6.83971      1.28068  8.87432      1.84364  4.94244      1.78032  2.12581  0.447689  1.27632  0.491984  
1 1 1 81 10 7  o 0.674053 0.320985  0.3183       1.18188  0.660753     1.56715  -0.133361    1.79977  0.723352 0.350181  0.683817 0.339827  
1 1 1 81 11 0  o 0.536204 0.387217  -0.763768    1.87906  -0.763768    1.87906  -0.763768    1.87906  0.465055 0.334185  ?        ?         
1 1 1 81 11 1  o 1.03442  0.42241   2.63658      1.3853   2.14522      2.01823  3.0743       1.90488  0.872053 0.416426  0.972908 0.442998  
1 1 1 81 11 2  o 0.870662 0.380429  1.61587      1.25318  2.07275      1.69602  1.0665       1.85981  0.880994 0.407432  0.785171 0.38037   
1 1 1 81 11 3  o 0.715562 0.332268  0.613018     1.14276  0.0445929    1.53269  1.32456      1.71482  0.686769 0.335688  0.793646 0.380145  
1 1 1 81 11 4  o 1.40528  0.404168  3.90987      1.19694  3.72667      1.66517  4.10572      1.72171  1.06155  0.450512  1.09892  0.461812  
1 1 1 81 11 5  o 0.954706 0.400062  2.30566      1.28594  1.76039      1.62705  3.21312      2.09899  0.819903 0.385125  0.89916  0.427983  
1 1 1 82 0  0  o 3.54974  0.258572  13.6978      1.81334  13.6978      1.81334  13.6978      1.81334  3.62686  0.177741  ?        ?         
1 1 1 82 0  1  o 1.43827  0.434395  2.8861       1.08772  2.8861       1.08772  2.8861       1.08772  1.58858  0.264077  ?        ?         
1 1 1 82 0  2  o 2.27864  0.256204  5.74468      1.13397  5.74468      1.13397  5.74468      1.13397  2.34003  0.173524  ?        ?         
1 1 1 82 0  3  o 0.403279 0.291776  -1.3854      1.09293  -1.3854      1.09293  -1.3854      1.09293  0.312321 0.229019  ?        ?         
1 1 1 82 0  4  o 3.31797  0.198824  11.626       1.30854  11.626       1.30854  11.626       1.30854  3.36449  0.138034  ?        ?         
1 1 1 82 0  5  o 0.579929 0.382127  0.222087     1.08804  0.222087     1.08804  0.222087     1.08804  0.516549 0.332952  ?        ?         
1 1 1 82 0  6  o 2.0709   0.310366  5.01607      1.19874  5.01607      1.19874  5.01607      1.19874  2.16167  0.199996  ?        ?         
1 1 1 82 0  7  o 1.59873  0.403976  3.40215      1.11549  3.40215      1.11549  3.40215      1.11549  1.74264  0.235927  ?        ?         
1 1 1 82 0  8  o 2.90813  0.249811  9.33441      1.4283   9.33441      1.4283   9.33441      1.4283   2.984    0.170503  ?        ?         
1 1 1 82 0  9  o 0.56979  0.387588  -0.0284283   1.28345  -0.0284283   1.28345  -0.0284283   1.28345  0.496029 0.333477  ?        ?         
1 1 1 82 0  10 o 1.34583  0.52055   3.09794      1.32471  3.09794      1.32471  3.09794      1.32471  1.57114  0.340268  ?        ?         
1 1 1 82 0  11 o 0.502394 0.35548   -0.727472    1.35029  -0.727472    1.35029  -0.727472    1.35029  0.415321 0.295008  ?        ?         
1 1 1 82 0  12 f 0.640776 0.422725  0.618341     1.33681  0.618341     1.33681  0.618341     1.33681  0.608772 0.382195  ?        ?         
1 1 1 82 0  13 o 1.13919  0.553863  2.93926      1.46809  2.93926      1.46809  2.93926      1.46809  1.39931  0.425744  ?        ?         
1 1 1 82 0  14 o 0.665151 0.442136  0.847521     1.49922  0.847521     1.49922  0.847521     1.49922  0.649361 0.406525  ?        ?         
1 1 1 82 0  15 o 0.503843 0.357465  -0.571163    1.39018  -0.571163    1.39018  -0.571163    1.39018  0.427171 0.302495  ?        ?         
1 1 1 82 0  16 o 0.815994 0.490294  1.82681      1.40816  1.82681      1.40816  1.82681      1.40816  0.924785 0.455112  ?        ?         
1 1 1 82 0  17 o 0.47903  0.345925  -0.779577    1.49943  -0.779577    1.49943  -0.779577    1.49943  0.40802  0.29414   ?        ?         
1 1 1 82 1  0  o 0.631165 0.406733  0.465569     1.14707  0.465569     1.14707  0.465569     1.14707  0.581642 0.360316  ?        ?         
1 1 1 82 1  1  o 0.949207 0.337495  1.16325      0.807805 1.40454      1.17677  0.94822      1.1109   1.00961  0.397534  0.907507 0.375512  
1 1 1 82 1  2  o 0.723295 0.310607  0.330052     0.808124 -0.445897    1.20174  0.970601     1.09187  0.704134 0.330815  0.908794 0.373711  
1 1 1 82 1  3  o 0.742407 0.317495  0.39189      0.838259 0.255169     1.17184  0.535163     1.1996   0.788336 0.35459   0.8379   0.369109  
1 1 1 82 1  4  o 2.27042  0.187183  5.61515      0.849968 5.61172      1.20618  5.61853      1.19794  2.16537  0.278515  2.16984  0.276042  
1 1 1 82 1  5  o 1.47344  0.276807  2.64683      0.785692 3.10453      1.11809  2.20035      1.10431  1.48467  0.375973  1.21144  0.396174  
1 1 1 82 1  6  o 3.46382  0.178757  13.035       1.23836  12.1718      1.90368  13.6683      1.6305   3.12074  0.305004  3.44727  0.236492  
1 1 1 82 1  7  o 2.51243  0.20652   7.05005      1.03773  8.03059      1.40968  5.89007      1.53324  2.5843   0.272739  2.03755  0.390162  
1 1 1 82 1  8  o 3.15955  0.1705    10.7911      1.0774   11.9335      1.50844  9.60124      1.53939  3.21858  0.234333  2.82166  0.272781  
1 1 1 82 1  9  o 1.14086  0.369796  1.92324      0.962459 3.52484      1.33298  0.17885      1.39113  1.48496  0.426332  0.79583  0.36841   
1 1 1 82 1  10 o 2.38952  0.217991  6.56032      1.04179  5.67998      1.39118  7.68429      1.57194  2.04371  0.340356  2.40105  0.327344  
1 1 1 82 1  11 o 0.728463 0.325461  0.412985     0.972314 1.34524      1.38846  -0.484127    1.36204  0.909904 0.398982  0.688914 0.332102  
1 1 1 82 1  12 o 0.83864  0.352421  1.0291       1.00262  2.03807      1.38482  -0.0824578   1.45351  1.00817  0.418339  0.728896 0.349336  
1 1 1 82 1  13 o 1.45004  0.371949  3.37601      1.08386  5.27696      1.56029  1.60332      1.50674  1.65203  0.457092  0.903998 0.404483  
1 1 1 82 1  14 o 0.827281 0.358115  1.00358      1.09043  1.31192      1.49397  0.652039     1.59519  0.875427 0.396699  0.803825 0.378665  
1 1 1 82 1  15 o 0.774609 0.341282  0.833414     1.02608  2.44229      1.51584  -0.527221    1.394    1.00243  0.427764  0.658133 0.321343  
1 1 1 82 1  16 o 0.732689 0.329043  0.836456     1.00526  1.64234      1.43216  0.0537898    1.41138  0.822968 0.378144  0.666926 0.325221  
1 1 1 82 2  0  o 1.638    0.445564  3.73322      1.25959  3.73322      1.25959  3.73322      1.25959  1.80932  0.26233   ?        ?         
1 1 1 82 2  1  o 3.26363  0.150923  11.291       0.985117 12.6663      1.52665  10.3098      1.28951  3.33757  0.228708  3.0365   0.212335  
1 1 1 82 2  2  o 1.48968  0.304985  2.81348      0.877329 1.02152      1.29064  4.35278      1.1962   0.919852 0.393688  1.81606  0.341882  
1 1 1 82 2  3  o 1.68564  0.24113   3.28786      0.812916 3.83465      1.18856  2.80726      1.1143   1.66619  0.366587  1.38573  0.387241  
1 1 1 82 2  4  o 1.12495  0.351274  1.77552      0.875746 1.78083      1.37189  1.77188      1.13771  1.05896  0.424999  1.07834  0.398682  
1 1 1 82 2  5  o 0.573607 0.270216  -0.485019    0.812335 -1.1709      1.387    -0.126916    1.00221  0.668828 0.325404  0.683352 0.314947  
1 1 1 82 2  6  o 0.852375 0.339095  0.885352     0.864395 -0.780571    1.58003  1.59692      1.03263  0.738846 0.356546  1.04016  0.380401  
1 1 1 82 2  7  o 2.33703  0.226777  6.26075      1.05997  6.81898      1.37752  5.45045      1.65964  2.34041  0.294289  1.83524  0.454061  
1 1 1 82 2  8  o 0.88229  0.350213  1.0222       0.920119 0.818629     1.26429  1.25144      1.34164  0.865426 0.380093  0.941657 0.402152  
1 1 1 82 2  9  o 0.501506 0.247716  -1.39381     0.910905 -1.64162     1.26181  -1.12411     1.31635  0.585917 0.289925  0.636542 0.311128  
1 1 1 82 2  10 o 0.755791 0.332279  0.578582     0.96823  1.71198      1.35868  -0.590891    1.38013  0.967903 0.408662  0.68049  0.329291  
1 1 1 82 2  11 o 0.712082 0.320065  0.389879     0.953064 0.681318     1.33115  0.0833599    1.36516  0.796508 0.36539   0.731542 0.346754  
1 1 1 82 2  12 o 0.72531  0.326961  0.487615     1.00183  0.719238     1.42555  0.261591     1.40822  0.792581 0.369216  0.742349 0.35202   
1 1 1 82 2  13 o 0.620366 0.295958  -0.331789    1.01323  -1.05324     1.36066  0.566255     1.51808  0.629028 0.309848  0.789774 0.371272  
1 1 1 82 2  14 o 0.658762 0.309971  0.00470537   1.06295  1.50801      1.52262  -1.42441     1.48458  0.873048 0.397135  0.615728 0.306355  
1 1 1 82 2  15 o 1.46341  0.384278  3.93373      1.13914  3.31878      1.60472  4.55838      1.61734  1.01958  0.437763  1.23725  0.471094  
1 1 1 82 3  0  o 0.644847 0.42491   0.455871     1.34539  0.455871     1.34539  0.455871     1.34539  0.593403 0.377268  ?        ?         
1 1 1 82 3  1  o 1.7029   0.261114  3.44436      0.8893   2.92261      1.33928  3.85584      1.18935  1.33153  0.436291  1.66658  0.366739  
1 1 1 82 3  2  o 1.45605  0.303083  2.7036       0.853446 2.91368      1.39165  2.57697      1.08048  1.31148  0.44474   1.32119  0.385311  
1 1 1 82 3  3  o 1.07965  0.350109  1.6419       0.862639 1.19724      1.41704  1.90371      1.08733  0.947415 0.409154  1.11608  0.392086  
1 1 1 82 3  4  o 0.868266 0.342414  0.951054     0.87433  1.33174      1.54174  0.770579     1.06154  0.969304 0.422759  0.843711 0.358937  
1 1 1 82 3  5  o 0.807612 0.332832  0.719597     0.867942 -1.04031     1.4861   1.63069      1.06926  0.695996 0.338057  1.03877  0.386012  
1 1 1 82 3  6  o 1.01771  0.365779  1.52184      0.951149 3.43713      1.47041  0.143845     1.24723  1.39638  0.457153  0.765468 0.352212  
1 1 1 82 3  7  o 0.627199 0.297755  -0.459856    1.01008  -0.868211    1.36789  0.0298158    1.4979   0.6725   0.325919  0.778322 0.366735  
1 1 1 82 3  8  o 0.646676 0.298892  -0.0331574   0.91101  0.39902      1.25046  -0.522018    1.32994  0.769116 0.353376  0.681392 0.3284    
1 1 1 82 3  9  o 0.910024 0.357848  1.30674      0.952368 1.25823      1.35099  1.35467      1.34276  0.887251 0.391167  0.902292 0.394024  
1 1 1 82 3  10 o 0.672832 0.30888   0.153703     0.953169 0.0298266    1.36576  0.271336     1.33089  0.723245 0.344698  0.743985 0.349243  
1 1 1 82 3  11 o 0.767443 0.337563  0.728952     1.00024  1.71797      1.48495  -0.0924959   1.35331  0.921727 0.407749  0.702217 0.336678  
1 1 1 82 3  12 o 0.867439 0.363557  1.20686      1.06228  2.15039      1.5042   0.268112     1.50038  0.997697 0.425943  0.759718 0.361722  
1 1 1 82 3  13 o 0.985182 0.385686  1.86652      1.10294  3.06751      1.49669  0.439214     1.63162  1.12777  0.446972  0.76541  0.367629  
1 1 1 82 3  14 o 0.638723 0.303734  0.105472     1.05498  -0.265398    1.48768  0.480644     1.49628  0.653871 0.322057  0.709392 0.343205  
1 1 1 82 4  0  o 0.535563 0.37253   -0.418719    1.35248  -0.418719    1.35248  -0.418719    1.35248  0.452074 0.314355  ?        ?         
1 1 1 82 4  1  o 2.00428  0.237869  4.67141      0.953513 5.53512      1.4696   4.04347      1.25307  1.96341  0.388058  1.67539  0.382265  
1 1 1 82 4  2  o 0.788519 0.328161  0.651972     0.856051 1.08313      1.40595  0.397958     1.07915  0.919555 0.402362  0.774595 0.344558  
1 1 1 82 4  3  o 1.77164  0.245924  3.6936       0.871376 1.61338      1.39997  5.00919      1.11333  1.0065   0.419318  2.02687  0.274642  
1 1 1 82 4  4  f 0.849623 0.344352  0.91906      0.91319  -1.60821     1.52651  2.32753      1.13959  0.656205 0.323297  1.19934  0.402453  
1 1 1 82 4  5  o 1.00445  0.353587  1.51536      0.884688 0.0216869    1.41398  2.47623      1.13409  0.761265 0.358     1.22654  0.401481  
1 1 1 82 4  6  o 1.03312  0.372518  1.74301      0.987224 1.29526      1.49205  2.09166      1.31664  0.905965 0.404009  1.0569   0.419118  
1 1 1 82 4  7  o 0.74753  0.335988  0.481898     1.05018  -0.661436    1.47132  1.66933      1.49943  0.689628 0.335405  0.948766 0.41533   
1 1 1 82 4  8  o 1.13763  0.384285  2.22496      1.03902  2.18396      1.62962  2.25304      1.34872  0.999058 0.435199  1.05632  0.422452  
1 1 1 82 4  9  o 0.886078 0.354073  1.26843      0.946322 2.81954      1.48386  0.205088     1.22859  1.11822  0.444464  0.719762 0.337454  
1 1 1 82 4  10 o 0.526221 0.258812  -1.05834     0.94056  -1.1649      1.40319  -0.971397    1.26745  0.626572 0.309     0.6142   0.301553  
1 1 1 82 4  11 o 0.672397 0.310432  0.138053     0.979147 0.0542552    1.43445  0.211161     1.33983  0.730228 0.349267  0.734425 0.346284  
1 1 1 82 4  12 o 1.50396  0.357563  3.57074      1.06121  2.96944      1.49677  4.17852      1.5048   1.10347  0.443482  1.36648  0.462468  
1 1 1 82 4  13 o 0.731973 0.332902  0.811217     1.06885  1.39561      1.51539  0.232661     1.5078   0.792589 0.372169  0.690092 0.336451  
1 1 1 82 5  0  o 0.998999 0.533967  2.30435      1.4391   2.30435      1.4391   2.30435      1.4391   1.16998  0.457126  ?        ?         
1 1 1 82 5  1  o 1.12653  0.389266  2.09612      1.068    2.49828      1.46633  1.64172      1.55866  1.12915  0.444026  0.969128 0.423855  
1 1 1 82 5  2  o 0.621818 0.294533  -0.382747    0.983364 0.559875     1.40561  -1.28637     1.37623  0.812576 0.373896  0.633598 0.312088  
1 1 1 82 5  3  o 1.04083  0.350709  1.67308      0.865387 1.57465      1.52672  1.71967      1.05044  0.943852 0.416014  1.01623  0.381609  
1 1 1 82 5  4  o 0.67625  0.304255  0.231313     0.863331 -0.87061     1.53032  0.745741     1.04561  0.685458 0.335136  0.796786 0.34783   
1 1 1 82 5  5  o 0.623999 0.290037  -0.0947331   0.873485 -1.61664     1.42924  0.812611     1.10357  0.613426 0.304569  0.808311 0.355059  
1 1 1 82 5  6  o 1.15674  0.381864  2.27173      1.02597  2.5773       1.5964   2.0567       1.33915  1.0661   0.446188  1.0184   0.4155    
1 1 1 82 5  7  o 0.798784 0.344152  0.867374     0.998061 2.39743      1.62405  -0.0611772   1.26517  1.01813  0.438836  0.697751 0.332191  
1 1 1 82 5  8  o 0.981174 0.37756   1.73989      1.04755  1.57236      1.60838  1.8633       1.38051  0.89481  0.407337  0.953439 0.407584  
1 1 1 82 5  9  o 0.554924 0.269225  -0.752391    0.937796 -1.19503     1.47354  -0.451052    1.2158   0.639039 0.315508  0.649247 0.313174  
1 1 1 82 5  10 f 1.76695  0.286075  4.16309      1.01096  3.39691      1.55413  4.72513      1.33108  1.19817  0.460167  1.6757   0.401771  
1 1 1 82 5  11 o 0.8193   0.35185   1.11402      1.03706  0.257845     1.43838  2.04093      1.49661  0.723973 0.347107  0.931327 0.41101   
1 1 1 82 5  12 o 0.796135 0.347767  1.20938      1.04661  1.41083      1.44185  0.985016     1.52164  0.794979 0.370715  0.750678 0.35921   
1 1 1 82 6  0  o 0.499373 0.355539  -0.724319    1.41012  -0.724319    1.41012  -0.724319    1.41012  0.418449 0.298154  ?        ?         
1 1 1 82 6  1  o 0.861588 0.354249  1.11867      0.980966 0.760089     1.44056  1.42872      1.33954  0.819156 0.377558  0.911084 0.395689  
1 1 1 82 6  2  o 0.750829 0.341226  0.478271     1.11841  0.280053     1.57232  0.681273     1.59118  0.776854 0.370076  0.817138 0.383274  
1 1 1 82 6  3  o 0.633057 0.303344  -0.417439    1.09461  -0.821338    1.48957  0.0567047    1.61391  0.673225 0.329502  0.758555 0.364651  
1 1 1 82 6  4  o 0.517718 0.257884  -1.67893     1.06693  -1.81299     1.55949  -1.56097     1.46288  0.620476 0.309448  0.616959 0.30657   
1 1 1 82 6  5  o 0.724828 0.32686   0.462032     1.00211  0.510674     1.48688  0.421548     1.35647  0.779191 0.366629  0.75851  0.355434  
1 1 1 82 6  6  o 0.535931 0.26319   -1.02442     0.966473 1.05494      1.624    -2.16472     1.20262  0.83625  0.391306  0.519559 0.261424  
1 1 1 82 6  7  o 1.15568  0.374014  2.25883      0.984818 4.45436      1.68697  1.12376      1.21296  1.376    0.48787   0.846446 0.372024  
1 1 1 82 6  8  o 0.754905 0.335416  0.627385     1.01969  -0.0787482   1.51785  1.20821      1.37661  0.728056 0.350876  0.859379 0.385516  
1 1 1 82 6  9  o 0.63874  0.302724  -0.148226    1.04017  -0.975671    1.68544  0.360804     1.32195  0.674249 0.333984  0.736185 0.346191  
1 1 1 82 6  10 o 1.97439  0.288496  5.43688      1.1392   6.72221      1.62444  4.19298      1.59804  1.85139  0.443809  1.25214  0.470587  
1 1 1 82 6  11 o 0.972684 0.3752    2.02063      1.0358   2.55254      1.4968   1.53184      1.43486  0.935127 0.412075  0.809565 0.374534  
1 1 1 82 7  0  o 0.494796 0.355692  -0.918943    1.50913  -0.918943    1.50913  -0.918943    1.50913  0.413448 0.297643  ?        ?         
1 1 1 82 7  1  o 1.04569  0.393665  2.0549       1.11924  2.06881      1.7029   2.04432      1.48505  0.952322 0.427951  0.972679 0.419446  
1 1 1 82 7  2  o 0.948402 0.379936  1.63688      1.09355  1.99457      1.56249  1.29345      1.53101  0.953631 0.420522  0.862798 0.394151  
1 1 1 82 7  3  f 1.03449  0.397892  2.06531      1.16313  1.67674      1.53777  2.58483      1.7781   0.912672 0.408489  1.00941  0.446406  
1 1 1 82 7  4  o 0.81112  0.359845  0.923875     1.16769  0.873867     1.61938  0.978039     1.68533  0.82146  0.385545  0.833829 0.391752  
1 1 1 82 7  5  o 0.589152 0.286566  -0.775156    1.07448  -0.917266    1.57961  -0.65278     1.46584  0.674681 0.332313  0.675318 0.329694  
1 1 1 82 7  6  o 1.4772   0.359909  3.37994      1.05502  4.29257      1.65072  2.74971      1.37176  1.35971  0.482549  1.13697  0.43358   
1 1 1 82 7  7  f 0.921417 0.365295  1.4873       0.999941 2.68538      1.59613  0.713308     1.2829   1.04254  0.44169   0.777453 0.35751   
1 1 1 82 7  8  o 1.02777  0.403386  2.24957      1.20808  4.7916       1.71564  -0.250422    1.7014   1.34608  0.490515  0.707291 0.34794   
1 1 1 82 7  9  o 0.959781 0.377775  1.96576      1.06233  3.15894      1.60922  1.04411      1.4143   1.00864  0.43581   0.763721 0.358831  
1 1 1 82 8  0  o 1.57128  0.597446  4.86549      1.75732  4.86549      1.75732  4.86549      1.75732  1.93643  0.357155  ?        ?         
1 1 1 82 8  1  o 2.76857  0.230035  9.25707      1.27374  8.99401      1.84258  9.49783      1.76275  2.38157  0.386841  2.54113  0.346843  
1 1 1 82 8  2  o 1.16782  0.405037  2.54238      1.15721  3.23096      1.60635  1.79946      1.66851  1.16246  0.462321  0.928797 0.420143  
1 1 1 82 8  3  o 1.25987  0.4025    2.86598      1.14324  0.794876     1.55417  5.30805      1.68763  0.809527 0.379539  1.56869  0.487195  
1 1 1 82 8  4  o 0.790899 0.359093  0.81554      1.2321   1.0201       1.66541  0.568199     1.83129  0.828809 0.389404  0.796008 0.384062  
1 1 1 82 8  5  o 1.13603  0.406292  2.55094      1.17223  2.21736      1.60856  2.92872      1.71182  0.961074 0.424867  1.04482  0.45044   
1 1 1 82 8  6  o 1.28445  0.403619  3.15023      1.15377  3.80405      1.65587  2.53327      1.6085   1.17027  0.468062  0.976058 0.428702  
1 1 1 82 8  7  o 0.620938 0.301143  -0.287089    1.17147  0.897392     1.66713  -1.44241     1.64648  0.757177 0.365602  0.610931 0.307083  
1 1 1 82 8  8  o 0.983854 0.395441  2.30129      1.19019  2.20056      1.58563  2.43128      1.8013   0.872565 0.399656  0.868581 0.407474  
1 1 1 82 9  0  o 2.58529  0.355377  8.75644      1.76055  8.75644      1.76055  8.75644      1.76055  2.78372  0.22708   ?        ?         
1 1 1 82 9  1  o 0.846307 0.375762  1.30587      1.27675  1.97537      1.64563  0.293503     2.0236   0.91083  0.413933  0.768001 0.37831   
1 1 1 82 9  2  o 1.3932   0.434761  3.95804      1.34177  1.59746      1.76288  7.20871      2.06871  0.854305 0.401196  1.59695  0.542239  
1 1 1 82 9  3  o 0.912936 0.38446   1.75184      1.19741  2.93676      1.62049  0.32681      1.7771   1.02013  0.439011  0.740733 0.361926  
1 1 1 82 9  4  o 0.786002 0.357146  1.09205      1.224    1.79565      1.59163  0.0736615    1.91485  0.85131  0.394082  0.718409 0.35589   
1 1 1 82 9  5  o 0.880002 0.382742  1.84751      1.25672  1.82337      1.65226  1.88063      1.93575  0.824344 0.387468  0.811608 0.392261  
1 1 1 82 9  6  o 0.49812  0.251513  -2.11582     1.19552  -3.62651     1.65386  -0.4625      1.73017  ?        ?         0.661276 0.329254  
1 1 1 82 10 0  o 0.754256 0.484158  1.84532      1.60143  1.84532      1.60143  1.84532      1.60143  0.8413   0.46596   ?        ?         
1 1 1 82 10 1  o 1.0192   0.405518  2.54211      1.23636  2.97505      1.6574   1.99895      1.85643  0.955227 0.425897  0.826173 0.395678  
1 1 1 82 10 2  o 0.634696 0.307442  -0.117663    1.21446  -0.329115    1.61397  0.158331     1.84391  0.658571 0.326365  0.701875 0.348072  
1 1 1 83 0  0  o 2.43729  0.412069  7.52948      1.83624  7.52948      1.83624  7.52948      1.83624  2.60529  0.254782  ?        ?         
1 1 1 83 0  1  o 0.46374  0.329487  -0.877408    1.19327  -0.877408    1.19327  -0.877408    1.19327  0.374411 0.268428  ?        ?         
1 1 1 83 0  2  f 3.81017  0.199252  15.3914      1.50889  15.3914      1.50889  15.3914      1.50889  3.86767  0.138332  ?        ?         
1 1 1 83 0  3  f 0.952162 0.495654  1.82599      1.2149   1.82599      1.2149   1.82599      1.2149   1.07184  0.420304  ?        ?         
1 1 1 83 0  4  o 1.02882  0.486695  1.98819      1.12598  1.98819      1.12598  1.98819      1.12598  1.1825   0.382295  ?        ?         
1 1 1 83 0  5  o 0.715656 0.427626  0.948288     1.06153  0.948288     1.06153  0.948288     1.06153  0.723092 0.385872  ?        ?         
1 1 1 83 0  6  o 1.63003  0.502008  4.01902      1.42804  4.01902      1.42804  4.01902      1.42804  1.84763  0.296182  ?        ?         
1 1 1 83 0  7  o 2.12042  0.344819  5.48223      1.34564  5.48223      1.34564  5.48223      1.34564  2.2412   0.216946  ?        ?         
1 1 1 83 0  8  o 1.1941   0.520066  2.63946      1.27821  2.63946      1.27821  2.63946      1.27821  1.40387  0.373445  ?        ?         
1 1 1 83 0  9  o 0.7686   0.464828  1.27286      1.284    1.27286      1.284    1.27286      1.284    0.803824 0.425643  ?        ?         
1 1 1 83 0  10 o 0.842682 0.487648  1.67748      1.31035  1.67748      1.31035  1.67748      1.31035  0.937826 0.441736  ?        ?         
1 1 1 83 0  11 o 0.572197 0.393181  0.1075       1.38471  0.1075       1.38471  0.1075       1.38471  0.513175 0.345425  ?        ?         
1 1 1 83 0  12 o 0.849311 0.493336  1.82496      1.34927  1.82496      1.34927  1.82496      1.34927  0.964772 0.448624  ?        ?         
1 1 1 83 0  13 o 1.78088  0.477342  4.83782      1.46604  4.83782      1.46604  4.83782      1.46604  2.02511  0.26623   ?        ?         
1 1 1 83 0  14 o 0.650891 0.434095  0.80109      1.4737   0.80109      1.4737   0.80109      1.4737   0.633387 0.399079  ?        ?         
1 1 1 83 0  15 f 0.65576  0.432112  1.10401      1.3915   1.10401      1.3915   1.10401      1.3915   0.672226 0.406715  ?        ?         
1 1 1 83 1  0  o 0.850106 0.473082  1.47168      1.17491  1.47168      1.17491  1.47168      1.17491  0.921759 0.41917   ?        ?         
1 1 1 83 1  1  f 0.952375 0.340588  1.22925      0.823737 0.135188     1.16352  2.32866      1.16637  0.757555 0.345284  1.22053  0.407154  
1 1 1 83 1  2  o 1.35455  0.322599  2.42228      0.862649 2.40751      1.26946  2.43496      1.17585  1.21481  0.423949  1.24744  0.408806  
1 1 1 83 1  3  o 0.614372 0.284153  -0.233649    0.825186 0.646948     1.12929  -1.2425      1.20873  0.831256 0.362191  0.6168   0.300812  
1 1 1 83 1  4  o 0.863125 0.335331  0.938618     0.83046  1.26358      1.35782  0.744411     1.04968  0.954476 0.406001  0.837788 0.356688  
1 1 1 83 1  5  o 0.862268 0.349631  0.920376     0.941983 -0.123355    1.49443  1.60845      1.21338  0.780041 0.367184  1.02101  0.403148  
1 1 1 83 1  6  o 0.859295 0.351719  0.914098     0.962678 2.30493      1.38449  -0.387781    1.33949  1.14956  0.436402  0.722122 0.34285   
1 1 1 83 1  7  f 0.569339 0.271926  -0.582195    0.861655 -1.2054      1.22359  0.0308667    1.2136   0.612931 0.299676  0.735345 0.341822  
1 1 1 83 1  8  f 0.842748 0.338531  0.984102     0.871557 1.19815      1.22389  0.763874     1.24143  0.892303 0.382683  0.821707 0.367419  
1 1 1 83 1  9  o 0.575319 0.275186  -0.502302    0.890737 0.364432     1.27554  -1.32727     1.24442  0.759962 0.352176  0.59318  0.292163  
1 1 1 83 1  10 o 0.985772 0.367223  1.63855      0.968886 1.50578      1.4422   1.74776      1.30803  0.908762 0.401948  0.958232 0.402599  
1 1 1 83 1  11 o 0.921147 0.35991   1.43792      0.959476 2.04426      1.36081  0.838498     1.35303  0.98835  0.41269   0.803428 0.368488  
1 1 1 83 1  12 o 0.813776 0.345176  0.945441     0.976679 2.32241      1.45852  -0.173964    1.31506  1.03427  0.429258  0.694343 0.332657  
1 1 1 83 1  13 o 0.884645 0.367289  1.38222      1.0684   1.7181       1.4658   1.00153      1.56053  0.907036 0.402687  0.816391 0.382319  
1 1 1 83 1  14 o 1.08758  0.385501  2.43966      1.05323  3.39115      1.50439  1.52496      1.47502  1.08634  0.441335  0.815763 0.378295  
1 1 1 83 2  0  o 0.568913 0.380771  0.143697     1.15808  0.143697     1.15808  0.143697     1.15808  0.504397 0.33204   ?        ?         
1 1 1 83 2  1  o 0.951122 0.348973  1.25547      0.869665 0.67301      1.28662  1.74545      1.18006  0.848838 0.377008  1.05439  0.402128  
1 1 1 83 2  2  o 1.17893  0.357064  1.99793      0.914158 1.37957      1.39391  2.46461      1.21094  0.968568 0.41166   1.23306  0.414861  
1 1 1 83 2  3  f 1.88775  0.251765  4.22039      0.950542 5.63763      1.53931  3.34689      1.20848  1.94401  0.408831  1.48806  0.398131  
1 1 1 83 2  4  o 1.88005  0.253806  4.21746      0.954339 3.1421       1.50821  4.93554      1.23245  1.30029  0.46127   1.95043  0.315943  
1 1 1 83 2  5  o 0.967337 0.361925  1.40183      0.943163 -0.377993    1.50829  2.54466      1.20861  0.740952 0.355294  1.2259   0.414462  
1 1 1 83 2  6  o 2.64174  0.195926  7.90669      1.03517  8.9017       1.67023  7.28609      1.31906  2.55362  0.327031  2.40857  0.273827  
1 1 1 83 2  7  o 1.28845  0.358342  2.54105      0.956436 3.50469      1.30791  1.43343      1.40222  1.4012   0.427637  0.91899  0.401974  
1 1 1 83 2  8  o 0.851184 0.345058  1.07626      0.917211 2.02674      1.28575  0.0913767    1.30882  1.02461  0.411347  0.727524 0.342802  
1 1 1 83 2  9  o 0.553347 0.26854   -0.763223    0.934252 -1.00342     1.33724  -0.534189    1.30579  0.627994 0.308781  0.658917 0.319103  
1 1 1 83 2  10 f 0.68119  0.312047  0.226914     0.96704  3.74298      1.45602  -2.54828     1.29355  1.32859  0.454909  0.522715 0.263632  
1 1 1 83 2  11 o 0.781276 0.342653  0.764831     1.02453  0.632792     1.44949  0.896657     1.44833  0.792105 0.370274  0.822734 0.378967  
1 1 1 83 2  12 o 0.92305  0.371971  1.5584       1.057    0.736087     1.45681  2.47251      1.53598  0.783292 0.367279  1.01022  0.430827  
1 1 1 83 2  13 o 0.818869 0.356828  1.31243      1.09631  0.89818      1.41502  1.93448      1.73397  0.750546 0.35447   0.841464 0.395928  
1 1 1 83 3  0  o 0.461395 0.33701   -2.03733     1.62348  -2.03733     1.62348  -2.03733     1.62348  0.366709 0.269955  ?        ?         
1 1 1 83 3  1  o 1.05784  0.363306  1.71865      0.929086 1.49332      1.65508  1.82232      1.12266  0.953681 0.425392  1.05068  0.394518  
1 1 1 83 3  2  o 1.16634  0.347759  2.00821      0.871707 0.924294     1.43231  2.64589      1.0986   0.86695  0.39087   1.28399  0.391939  
1 1 1 83 3  3  o 2.78473  0.174245  8.57078      0.97045  7.10187      1.48036  9.67777      1.28511  2.28701  0.323645  2.87531  0.223473  
1 1 1 83 3  4  o 1.52174  0.350134  3.38712      1.04414  3.69169      1.60671  3.16446      1.37378  1.31261  0.475043  1.28531  0.441743  
1 1 1 83 3  5  o 0.762766 0.328387  0.658298     0.907413 1.16967      1.40101  0.28876      1.19097  0.876957 0.39127   0.740684 0.342114  
1 1 1 83 3  6  o 0.943658 0.359562  1.44446      0.942733 -0.927612    1.47922  3.06695      1.22337  0.666382 0.326723  1.30522  0.416306  
1 1 1 83 3  7  o 0.956715 0.380317  1.61568      1.08658  2.02883      1.58298  1.24759      1.49417  0.972728 0.426275  0.86996  0.39511   
1 1 1 83 3  8  f 1.50613  0.33852   3.36345      0.994827 2.90826      1.44005  3.77902      1.37593  1.14072  0.441904  1.38156  0.441586  
1 1 1 83 3  9  o 1.04667  0.372206  1.89645      0.982547 1.47223      1.4603   2.24738      1.32815  0.893386 0.399008  1.04163  0.418117  
1 1 1 83 3  10 o 1.97896  0.261603  4.99407      1.03541  6.76697      1.49416  3.3562       1.43614  2.12744  0.351164  1.24718  0.449341  
1 1 1 83 3  11 o 1.75632  0.322188  4.47836      1.08949  5.46611      1.55465  3.5251       1.52727  1.65448  0.455605  1.19874  0.457392  
1 1 1 83 3  12 o 0.936784 0.372345  1.85819      1.04137  2.63941      1.39148  0.863549     1.57009  0.984102 0.414439  0.744692 0.358395  
1 1 1 83 4  0  o 1.33677  0.59817   3.9056       1.69096  3.9056       1.69096  3.9056       1.69096  1.66948  0.414219  ?        ?         
1 1 1 83 4  1  o 0.882941 0.369181  1.22207      1.0913   1.77589      1.4665   0.534789     1.63367  0.963526 0.416173  0.811071 0.382408  
1 1 1 83 4  2  f 0.828024 0.355492  0.953538     1.0581   1.53065      1.42156  0.236638     1.5844   0.925455 0.40477   0.776973 0.370532  
1 1 1 83 4  3  o 1.21387  0.348995  2.2577       0.892612 2.1315       1.54798  2.32057      1.09254  1.00393  0.430462  1.14943  0.394047  
1 1 1 83 4  4  o 0.877676 0.363562  1.22723      1.04309  0.542542     1.69239  1.64665      1.32458  0.805484 0.383825  0.940484 0.400554  
1 1 1 83 4  5  o 1.05423  0.369371  1.89079      0.964457 1.58783      1.44915  2.13168      1.2922   0.915436 0.404162  1.03083  0.412985  
1 1 1 83 4  6  o 0.668222 0.308666  0.13962      0.969688 -0.0130501   1.54109  0.239682     1.24763  0.732019 0.352974  0.722664 0.339037  
1 1 1 83 4  7  o 0.768788 0.3427    0.696682     1.07262  0.756581     1.54423  0.640842     1.49099  0.805964 0.377951  0.79087  0.370963  
1 1 1 83 4  8  o 0.90984  0.363353  1.37564      0.995988 2.71919      1.54958  0.429868     1.30011  1.08687  0.44578   0.757104 0.352654  
1 1 1 83 4  9  o 0.671635 0.309351  0.191699     0.964913 0.627547     1.46267  -0.144131    1.28392  0.77955  0.365972  0.683464 0.327746  
1 1 1 83 4  10 o 1.34164  0.370754  3.06287      1.0273   4.29409      1.56136  2.12302      1.36416  1.31993  0.469219  0.956445 0.406897  
1 1 1 83 4  11 o 1.6707   0.345189  4.53539      1.11414  6.66096      1.586    2.46452      1.56546  1.77756  0.446374  0.907995 0.409046  
1 1 1 83 5  0  o 0.76474  0.477628  1.45198      1.45264  1.45198      1.45264  1.45198      1.45264  0.812521 0.446208  ?        ?         
1 1 1 83 5  1  o 1.00859  0.391235  1.89781      1.12953  3.61829      1.51134  -0.279119    1.70004  1.27904  0.460943  0.732607 0.357193  
1 1 1 83 5  2  o 0.77422  0.349418  0.69539      1.14752  0.475101     1.61643  0.919204     1.62931  0.783685 0.373858  0.82635  0.387639  
1 1 1 83 5  3  o 0.639112 0.307325  -0.387878    1.1485   -1.30883     1.58061  0.642254     1.67167  0.645895 0.320635  0.79857  0.380777  
1 1 1 83 5  4  o 0.577908 0.283309  -0.984427    1.11162  -1.74055     1.56835  -0.221095    1.57581  0.620581 0.309616  0.71963  0.349089  
1 1 1 83 5  5  o 0.897658 0.365095  1.35601      1.0307   2.88217      1.51151  0.02959      1.40913  1.12073  0.447604  0.724154 0.346315  
1 1 1 83 5  6  o 0.904007 0.36497   1.36207      1.02023  0.238025     1.60653  2.12179      1.32075  0.76718  0.367584  1.02306  0.414341  
1 1 1 83 5  7  o 0.820878 0.356278  1.01668      1.08465  0.259874     1.63281  1.61439      1.45107  0.761327 0.366177  0.905998 0.401639  
1 1 1 83 5  8  o 0.7997   0.344418  0.971262     0.998896 -0.817993    1.54514  2.25596      1.30928  0.66052  0.325385  1.01517  0.411965  
1 1 1 83 5  9  o 1.09893  0.37879   2.34489      1.01076  1.78043      1.56694  2.74712      1.32274  0.854084 0.393701  1.0566   0.419745  
1 1 1 83 5  10 o 0.759477 0.344157  1.01067      1.12444  2.72208      1.56357  -0.822506    1.61823  0.943601 0.41779   0.631449 0.314963  
1 1 1 83 6  0  o 0.758797 0.482027  1.43882      1.55022  1.43882      1.55022  1.43882      1.55022  0.796112 0.451477  ?        ?         
1 1 1 83 6  1  o 1.23061  0.402829  2.7412       1.14172  2.15571      1.74242  3.18172      1.51138  0.967152 0.433797  1.1842   0.454086  
1 1 1 83 6  2  o 0.981659 0.380995  1.72521      1.07148  3.13702      1.6815   0.760069     1.39029  1.12504  0.463391  0.803093 0.370442  
1 1 1 83 6  3  o 1.6905   0.374835  4.47103      1.23382  4.7831       1.61664  4.03568      1.90947  1.50433  0.478437  1.20707  0.494921  
1 1 1 83 6  4  o 0.856748 0.378512  1.21295      1.27402  1.22637      1.62564  1.19158      2.0511   0.85724  0.39738   0.857316 0.411873  
1 1 1 83 6  5  o 0.795509 0.356497  0.877567     1.1745   0.862222     1.56402  0.897411     1.77858  0.80762  0.379022  0.818344 0.390812  
1 1 1 83 6  6  o 0.725389 0.337106  0.438158     1.17936  2.22953      1.67     -1.3441      1.66574  0.945167 0.424293  0.64527  0.321532  
1 1 1 83 6  7  f 0.594536 0.287631  -0.418486    1.05071  -1.89502     1.54803  0.842798     1.43075  0.583506 0.293622  0.762657 0.359081  
1 1 1 83 6  8  o 0.604074 0.294304  -0.359905    1.14622  1.6591       1.64135  -2.28176     1.60138  0.809609 0.382184  0.560963 0.284115  
1 1 1 83 7  0  o 0.961763 0.552131  2.6611       1.6624   2.6611       1.6624   2.6611       1.6624   1.164    0.497855  ?        ?         
1 1 1 83 7  1  o 2.2795   0.275429  6.87215      1.25568  7.626        1.88123  6.26642      1.68633  1.92678  0.487535  1.76844  0.469016  
1 1 1 83 7  2  o 0.878209 0.378912  1.43072      1.21315  0.100632     1.57743  3.35639      1.89803  0.731544 0.353657  1.05984  0.465593  
1 1 1 83 7  3  o 1.62311  0.420189  4.832        1.37436  6.79457      1.65193  0.419074     2.4771   1.89874  0.442738  0.790787 0.39377   
1 1 1 83 7  4  o 0.794938 0.364274  1.05125      1.31904  2.19004      1.68456  -0.753461    2.12064  0.910155 0.415005  0.705905 0.352953  
1 1 1 83 7  5  o 0.786411 0.354058  1.11084      1.17109  1.53865      1.62319  0.646403     1.69125  0.817083 0.384052  0.741342 0.360256  
1 1 1 83 7  6  o 0.662727 0.315534  0.249028     1.14162  -0.585564    1.56524  1.1976       1.6687   0.639002 0.317468  0.768066 0.369604  
1 1 1 83 8  0  o 2.2906   0.449024  8.00442      1.82943  8.00442      1.82943  8.00442      1.82943  2.58805  0.255643  ?        ?         
1 1 1 83 8  1  o 0.71018  0.331091  0.647296     1.14922  0.905723     1.61394  0.381501     1.63678  0.743948 0.359321  0.706182 0.345578  
1 1 1 83 8  2  o 0.617975 0.304349  -0.55528     1.34483  -0.550541    1.58354  -0.567543    2.54713  0.642892 0.319389  0.702106 0.356173  
1 1 1 83 8  3  o 0.538153 0.271291  -1.89346     1.34016  -1.38329     1.52943  -3.58044     2.78118  0.591137 0.29663   ?        ?         
1 1 1 84 0  0  o 0.795507 0.500197  1.31328      1.62675  1.31328      1.62675  1.31328      1.62675  0.804213 0.460147  ?        ?         
1 1 1 84 0  1  o 0.466224 0.330124  -0.755461    1.17016  -0.755461    1.17016  -0.755461    1.17016  0.379659 0.270755  ?        ?         
1 1 1 84 0  2  o 1.47292  0.493134  3.39095      1.2922   3.39095      1.2922   3.39095      1.2922   1.68437  0.299554  ?        ?         
1 1 1 84 0  3  o 0.63431  0.428847  0.236551     1.5386   0.236551     1.5386   0.236551     1.5386   0.570789 0.378358  ?        ?         
1 1 1 84 0  4  f 0.8689   0.521016  1.74771      1.58486  1.74771      1.58486  1.74771      1.58486  0.933294 0.478267  ?        ?         
1 1 1 84 0  5  o 0.498826 0.350815  -0.570478    1.26944  -0.570478    1.26944  -0.570478    1.26944  0.416111 0.293324  ?        ?         
1 1 1 84 0  6  o 0.481605 0.343382  -0.838456    1.32877  -0.838456    1.32877  -0.838456    1.32877  0.397269 0.284465  ?        ?         
1 1 1 84 0  7  o 1.05781  0.512924  2.3713       1.25826  2.3713       1.25826  2.3713       1.25826  1.26537  0.400917  ?        ?         
1 1 1 84 0  8  o 0.990662 0.503154  2.16558      1.23396  2.16558      1.23396  2.16558      1.23396  1.17564  0.410871  ?        ?         
1 1 1 84 0  9  o 0.677893 0.43506   0.94676      1.29219  0.94676      1.29219  0.94676      1.29219  0.678526 0.400659  ?        ?         
1 1 1 84 0  10 o 1.19623  0.543035  3.06384      1.39404  3.06384      1.39404  3.06384      1.39404  1.4736   0.388011  ?        ?         
1 1 1 84 0  11 o 1.27835  0.542839  3.28068      1.39959  3.28068      1.39959  3.28068      1.39959  1.56128  0.365011  ?        ?         
1 1 1 84 0  12 o 0.498732 0.355507  -0.625874    1.42183  -0.625874    1.42183  -0.625874    1.42183  0.422854 0.300873  ?        ?         
1 1 1 84 0  13 o 0.534687 0.379203  -0.156243    1.56041  -0.156243    1.56041  -0.156243    1.56041  0.476723 0.332899  ?        ?         
1 1 1 84 1  0  o 2.22031  0.301617  5.85688      1.28446  5.85688      1.28446  5.85688      1.28446  2.3266   0.198513  ?        ?         
1 1 1 84 1  1  o 0.842681 0.337922  0.930564     0.866305 1.36046      1.29803  0.585285     1.16329  0.939774 0.398241  0.801292 0.357049  
1 1 1 84 1  2  o 0.763649 0.33402   0.540753     0.96816  1.9252       1.54336  -0.357542    1.24319  1.01916  0.433163  0.690311 0.328954  
1 1 1 84 1  3  o 0.951576 0.386023  1.47619      1.14902  -1.40202     1.43391  6.64025      1.92069  0.638379 0.3144    1.84983  0.505092  
1 1 1 84 1  4  o 1.83693  0.273197  4.27435      1.00369  4.42358      1.47849  4.14679      1.36692  1.56396  0.448996  1.55765  0.426453  
1 1 1 84 1  5  o 0.736047 0.32614   0.483278     0.955246 -0.370353    1.48248  1.08933      1.24914  0.715179 0.345184  0.864052 0.378659  
1 1 1 84 1  6  f 0.996435 0.365918  1.6396       0.956346 1.72286      1.28353  1.5357       1.43388  0.966757 0.402051  0.923728 0.405247  
1 1 1 84 1  7  o 1.45491  0.322454  3.01056      0.913446 2.75866      1.3204   3.24177      1.265    1.16971  0.42992   1.3201   0.423559  
1 1 1 84 1  8  o 1.14508  0.357105  2.12712      0.905444 2.35087      1.30817  1.92136      1.25449  1.06396  0.419077  0.98577  0.402164  
1 1 1 84 1  9  o 0.776015 0.332104  0.787713     0.918327 0.10756      1.28348  1.50114      1.3145   0.715236 0.33773   0.904249 0.392336  
1 1 1 84 1  10 o 0.903604 0.361915  1.36417      0.991983 2.64292      1.47312  0.303226     1.34181  1.08399  0.438175  0.743196 0.349282  
1 1 1 84 1  11 o 0.765089 0.333282  0.790801     0.955741 -0.166778    1.36032  1.72427      1.34309  0.684551 0.330465  0.9148   0.396742  
1 1 1 84 1  12 o 0.945722 0.374234  1.88242      1.04769  3.14709      1.47896  0.608483     1.48436  1.05347  0.434364  0.724764 0.348724  
1 1 1 84 2  0  o 2.27838  0.447579  7.26166      1.81325  7.26166      1.81325  7.26166      1.81325  2.51261  0.26164   ?        ?         
1 1 1 84 2  1  o 1.75387  0.32076   4.25299      1.08329  6.185        1.76114  3.07708      1.37397  1.80267  0.479861  1.25092  0.440616  
1 1 1 84 2  2  o 1.19184  0.345905  2.15292      0.872835 2.72387      1.40548  1.79448      1.1136   1.15371  0.439194  1.01039  0.389182  
1 1 1 84 2  3  o 0.549089 0.268462  -0.997544    0.981996 -0.311983    1.34352  -1.78387     1.43888  0.694198 0.333468  0.603933 0.300641  
1 1 1 84 2  4  o 0.761229 0.336555  0.627848     1.0097   0.911338     1.56791  0.426984     1.31979  0.837601 0.389037  0.764919 0.355914  
1 1 1 84 2  5  o 0.820602 0.346244  0.970488     0.974288 1.67656      1.51186  0.469004     1.27414  0.926843 0.410539  0.760739 0.352324  
1 1 1 84 2  6  o 0.925836 0.367517  1.47496      1.01334  2.53548      1.38371  0.248325     1.48814  1.0841   0.429737  0.751613 0.358596  
1 1 1 84 2  7  o 0.945762 0.357931  1.50072      0.92898  0.888687     1.40131  1.9806       1.24083  0.81402  0.37404   1.00083  0.403143  
1 1 1 84 2  8  o 0.737907 0.325795  0.568042     0.941767 1.51407      1.44373  -0.13268     1.24253  0.903768 0.40064   0.686447 0.327544  
1 1 1 84 2  9  o 1.07252  0.372372  2.0077       0.978303 1.94458      1.46661  2.05829      1.31314  0.953012 0.413968  0.996215 0.409775  
1 1 1 84 2  10 o 0.768081 0.333049  0.848266     0.946137 2.3495       1.40148  -0.408889    1.2825   0.997036 0.417717  0.645691 0.313756  
1 1 1 84 2  11 o 1.14175  0.37482   2.53513      0.988468 4.47677      1.46194  0.899954     1.34161  1.33003  0.455833  0.74062  0.348416  
1 1 1 84 3  0  f 1.38238  0.610369  4.2752       1.76063  4.2752       1.76063  4.2752       1.76063  1.7484   0.41013   ?        ?         
1 1 1 84 3  1  o 1.82261  0.328366  4.73666      1.15329  4.42674      1.54008  5.13235      1.74017  1.4645   0.467092  1.50702  0.497322  
1 1 1 84 3  2  o 0.58647  0.286346  -0.88065     1.10669  -1.81845     1.4177   0.582323     1.7707   0.59048  0.294566  0.805405 0.385901  
1 1 1 84 3  3  o 0.809342 0.354662  0.92996      1.0957   1.81905      1.44088  -0.289119    1.68721  0.943374 0.410059  0.727928 0.355078  
1 1 1 84 3  4  o 0.69485  0.323469  0.190555     1.09181  0.716201     1.74889  -0.145145    1.39762  0.809103 0.386671  0.702895 0.338246  
1 1 1 84 3  5  o 0.512618 0.254366  -1.40178     0.989453 0.3397       1.43655  -2.97366     1.3648   0.756099 0.357123  0.519589 0.262977  
1 1 1 84 3  6  o 1.01793  0.372439  1.79147      0.989953 1.00527      1.53328  2.35349      1.29637  0.837639 0.387385  1.07574  0.418753  
1 1 1 84 3  7  o 1.03638  0.382264  1.93798      1.0447   3.08691      1.48287  0.805784     1.47204  1.16471  0.448998  0.806516 0.375506  
1 1 1 84 3  8  o 1.92177  0.276826  4.90017      1.06399  6.38204      1.61684  3.76827      1.41309  1.8574   0.441203  1.32811  0.448152  
1 1 1 84 3  9  o 1.4945   0.356681  3.6487       1.05283  3.34303      1.53904  3.91755      1.4434   1.10532  0.44743   1.27671  0.451418  
1 1 1 84 3  10 o 1.53192  0.36469   4.04816      1.1028   4.17876      1.76588  3.96467      1.41199  1.09133  0.463575  1.24241  0.445753  
1 1 1 84 4  0  o 0.658161 0.437412  0.784908     1.46651  0.784908     1.46651  0.784908     1.46651  0.63795  0.400432  ?        ?         
1 1 1 84 4  1  o 0.6601   0.312693  -0.142169    1.10858  -1.46179     1.48704  1.5087       1.66324  0.623912 0.309897  0.892286 0.408953  
1 1 1 84 4  2  o 0.593856 0.289599  -0.834866    1.11949  -0.990625    1.49205  -0.634234    1.69339  0.655546 0.322887  0.708378 0.348038  
1 1 1 84 4  3  o 1.08201  0.404832  2.23817      1.18005  3.03555      1.56059  1.17349      1.80329  1.14139  0.455138  0.859945 0.404373  
1 1 1 84 4  4  o 1.4634   0.399595  3.64451      1.20211  3.98835      1.63514  3.24009      1.77334  1.30369  0.478496  1.11443  0.468524  
1 1 1 84 4  5  o 0.697293 0.324105  0.218997     1.09074  -0.779387    1.51878  1.28239      1.56745  0.66899  0.328982  0.858798 0.395025  
1 1 1 84 4  6  o 0.53583  0.263004  -0.969023    0.962992 -0.503268    1.49669  -1.29805     1.25796  0.67802  0.331484  0.58094  0.287952  
1 1 1 84 4  7  o 1.05262  0.400317  2.34071      1.16673  3.11884      1.68645  1.62639      1.61582  1.03673  0.447024  0.855281 0.396359  
1 1 1 84 4  8  o 0.81506  0.346397  1.26362      0.986882 1.85252      1.48592  0.798835     1.32007  0.847915 0.387748  0.732639 0.344937  
1 1 1 84 5  0  o 0.58094  0.402061  0.16285      1.49294  0.16285      1.49294  0.16285      1.49294  0.527024 0.355951  ?        ?         
1 1 1 84 5  1  o 0.70674  0.33088   0.23685      1.16598  -0.491556    1.53478  1.23103      1.79305  0.688087 0.336236  0.847816 0.399995  
1 1 1 84 5  2  o 0.842845 0.368172  1.18323      1.17304  1.67279      1.61113  0.630916     1.71126  0.894815 0.407432  0.790266 0.378821  
1 1 1 84 5  3  o 1.31174  0.409091  3.22019      1.18824  2.98554      1.54031  3.56508      1.8674   1.09609  0.446144  1.09645  0.471552  
1 1 1 84 5  4  o 0.728839 0.336217  0.531657     1.14554  0.620412     1.54572  0.423515     1.70622  0.763824 0.36467   0.755479 0.365674  
1 1 1 84 5  5  o 1.07986  0.400863  2.48237      1.15252  3.57024      1.55038  1.13864      1.72308  1.14136  0.454111  0.794086 0.380525  
1 1 1 84 5  6  o 1.16219  0.429181  3.32479      1.31766  2.88012      1.61116  4.22293      2.28978  0.957321 0.423952  0.953393 0.450575  
1 1 1 84 5  7  o 0.63269  0.302992  0.0257508    1.08808  1.20139      1.57251  -1.05414     1.50712  0.769797 0.367592  0.605771 0.302409  
1 1 1 84 6  0  o 0.583055 0.404806  0.384299     1.53329  0.384299     1.53329  0.384299     1.53329  0.544596 0.365628  ?        ?         
1 1 1 84 6  1  o 0.571776 0.284071  -1.13641     1.25337  -2.36627     1.63245  0.629653     1.95621  0.56998  0.288298  0.748928 0.368869  
1 1 1 84 6  2  o 0.690448 0.328769  0.370903     1.2397   -0.335326    1.66825  1.24185      1.85261  0.669495 0.331786  0.7792   0.37815   
1 1 1 84 6  3  o 0.992038 0.392848  2.28226      1.15527  2.4404       1.49897  2.0509       1.81307  0.918131 0.407465  0.833145 0.397095  
1 1 1 84 6  4  o 1.04246  0.407192  2.63343      1.22795  1.85659      1.62926  3.65502      1.86835  0.829497 0.388848  0.986581 0.445526  
1 1 1 85 0  0  o 1.77384  0.543674  5.20964      1.68199  5.20964      1.68199  5.20964      1.68199  2.07303  0.306949  ?        ?         
1 1 1 85 0  1  o 0.467187 0.33711   -1.17727     1.40973  -1.17727     1.40973  -1.17727     1.40973  0.381077 0.275906  ?        ?         
1 1 1 85 0  2  o 0.473746 0.343032  -1.48178     1.56174  -1.48178     1.56174  -1.48178     1.56174  0.385364 0.280708  ?        ?         
1 1 1 85 0  3  o 0.976547 0.536568  2.37494      1.48594  2.37494      1.48594  2.37494      1.48594  1.15678  0.467236  ?        ?         
1 1 1 85 0  4  o 1.26987  0.53647   3.17567      1.36839  3.17567      1.36839  3.17567      1.36839  1.54119  0.361622  ?        ?         
1 1 1 85 0  5  o 1.65194  0.530038  4.60758      1.53965  4.60758      1.53965  4.60758      1.53965  1.94089  0.302348  ?        ?         
1 1 1 85 0  6  f 2.29993  0.404448  7.18667      1.68847  7.18667      1.68847  7.18667      1.68847  2.50956  0.243114  ?        ?         
1 1 1 85 0  7  o 0.886976 0.49681   1.93708      1.30718  1.93708      1.30718  1.93708      1.30718  1.02806  0.441672  ?        ?         
1 1 1 85 0  8  o 0.866905 0.494404  1.85288      1.32303  1.85288      1.32303  1.85288      1.32303  0.99058  0.444923  ?        ?         
1 1 1 85 0  9  o 0.656174 0.425266  0.85143      1.28099  0.85143      1.28099  0.85143      1.28099  0.648318 0.391299  ?        ?         
1 1 1 85 0  10 o 0.486002 0.34765   -0.687597    1.39352  -0.687597    1.39352  -0.687597    1.39352  0.410518 0.293361  ?        ?         
1 1 1 85 0  11 o 0.529388 0.368208  0.0976367    1.31921  0.0976367    1.31921  0.0976367    1.31921  0.478655 0.327218  ?        ?         
1 1 1 85 1  0  o 0.728508 0.466548  1.23185      1.47823  1.23185      1.47823  1.23185      1.47823  0.748048 0.43435   ?        ?         
1 1 1 85 1  1  o 2.58046  0.261583  8.44609      1.35001  7.56567      1.82089  9.52076      2.01176  2.03914  0.457756  2.31991  0.449635  
1 1 1 85 1  2  o 1.59047  0.369285  3.94606      1.15313  3.16635      1.63044  4.72639      1.6311   1.14345  0.461488  1.47897  0.481484  
1 1 1 85 1  3  o 1.26515  0.381119  2.70179      1.04336  -0.30876     1.36822  6.88508      1.61284  0.68638  0.331366  2.0337   0.410909  
1 1 1 85 1  4  o 0.747986 0.330226  0.639906     0.967375 1.08708      1.43869  0.270889     1.30693  0.83687  0.382213  0.731951 0.344205  
1 1 1 85 1  5  o 0.754557 0.332738  0.657848     0.978245 3.49128      1.51971  -1.34685     1.27829  1.2407   0.460364  0.589127 0.291586  
1 1 1 85 1  6  o 1.95096  0.281704  5.00213      1.09918  7.56206      1.54419  2.37278      1.56498  2.28214  0.338321  1.02113  0.435159  
1 1 1 85 1  7  f 0.782108 0.335239  0.815063     0.938336 0.473186     1.37349  1.11428      1.28494  0.763996 0.357942  0.842875 0.375425  
1 1 1 85 1  8  o 1.10053  0.376602  2.15779      0.997888 2.80289      1.47173  1.60885      1.35762  1.08884  0.438864  0.900888 0.39478   
1 1 1 85 1  9  o 0.797681 0.33998   1.0471       0.955474 3.68411      1.47532  -0.858032    1.25399  1.21361  0.452935  0.598115 0.294578  
1 1 1 85 1  10 o 0.915558 0.363379  1.72872      0.9905   1.02826      1.42829  2.37769      1.37479  0.754531 0.356282  0.936853 0.40378   
1 1 1 85 2  0  o 1.97092  0.56977   6.6407       1.94633  6.6407       1.94633  6.6407       1.94633  2.32687  0.30775   ?        ?         
1 1 1 85 2  1  o 1.73314  0.383897  4.80461      1.29541  5.66428      1.77846  3.83306      1.89065  1.59317  0.501209  1.17082  0.487504  
1 1 1 85 2  2  o 0.776838 0.346027  0.729004     1.0917   -0.0383401   1.39787  1.92883      1.74795  0.716564 0.343223  0.937081 0.426061  
1 1 1 85 2  3  o 0.709935 0.327332  0.27923      1.08402  0.380048     1.40269  0.129726     1.70812  0.759611 0.357032  0.764563 0.369343  
1 1 1 85 2  4  o 0.635241 0.30157   -0.247735    1.03611  -1.69262     1.70117  0.604312     1.30636  0.649013 0.323612  0.778871 0.3592    
1 1 1 85 2  5  o 0.861828 0.356262  1.19967      0.998386 1.48055      1.50665  0.979782     1.33309  0.887354 0.400433  0.8216   0.373162  
1 1 1 85 2  6  o 0.955483 0.37414   1.66792      1.03801  2.07684      1.40764  1.18052      1.53678  0.972406 0.413498  0.83827  0.387735  
1 1 1 85 2  7  o 1.04761  0.380101  2.09484      1.02923  2.53775      1.47916  1.67912      1.43303  1.00646  0.425739  0.881024 0.394328  
1 1 1 85 2  8  f 0.863184 0.35649   1.46601      0.998202 0.288404     1.49125  2.42198      1.34361  0.699539 0.339421  0.968652 0.407557  
1 1 1 85 2  9  o 0.621656 0.293786  0.0758435    0.973399 1.17947      1.50408  -0.719517    1.27685  0.768777 0.364198  0.594163 0.293435  
1 1 1 85 3  0  o 0.764536 0.501917  1.59062      1.85495  1.59062      1.85495  1.59062      1.85495  0.79909  0.476305  ?        ?         
1 1 1 85 3  1  o 1.10594  0.406095  2.38958      1.17787  0.0501746    1.51553  5.95825      1.87183  0.731653 0.352119  1.57125  0.515792  
1 1 1 85 3  2  o 0.878305 0.371783  1.34934      1.12925  0.685391     1.47683  2.28404      1.75226  0.785997 0.368771  0.962546 0.433239  
1 1 1 85 3  3  o 0.786936 0.354782  0.842338     1.17993  1.1825       1.56641  0.396166     1.79398  0.837707 0.388996  0.774171 0.374763  
1 1 1 85 3  4  o 0.703115 0.331088  0.222731     1.21712  1.08488      1.72255  -0.63686     1.71999  0.81886  0.388787  0.691798 0.341392  
1 1 1 85 3  5  o 0.75705  0.343094  0.802282     1.1178   0.301609     1.51216  1.40546      1.65975  0.723432 0.349033  0.827559 0.388795  
1 1 1 85 3  6  f 0.751744 0.340166  0.898997     1.09464  0.192013     1.52822  1.64393      1.56869  0.695299 0.338941  0.825927 0.385739  
1 1 1 85 3  7  o 0.854467 0.361452  1.52925      1.06621  1.68768      1.54128  1.38385      1.47649  0.818986 0.382442  0.790088 0.370337  
1 1 1 85 4  0  o 1.24212  0.633847  4.5829       1.96359  4.5829       1.96359  4.5829       1.96359  1.67714  0.478198  ?        ?         
1 1 1 85 4  1  o 0.768798 0.357877  0.90498      1.33626  -0.661882    1.95764  2.27192      1.82848  0.690288 0.344608  0.88981  0.415917  
1 1 1 85 4  2  o 0.587362 0.287803  -0.670863    1.14478  -1.81444     1.55314  0.689474     1.69395  0.583928 0.29389   0.748536 0.362744  
1 1 1 85 4  3  o 0.626384 0.304114  -0.244004    1.20038  -1.23823     1.58583  1.08998      1.83691  0.610736 0.305368  0.767958 0.373865  
1 1 1 85 4  4  o 0.617744 0.299302  -0.212009    1.15223  -0.312515    1.56217  -0.0920942   1.70635  0.655254 0.323837  0.679868 0.336593  
1 1 1 85 4  5  o 1.02771  0.399297  2.4768       1.17754  1.75594      1.5114   3.59025      1.87839  0.82941  0.383974  0.976554 0.443385  
1 1 1 86 0  0  o 1.74203  0.79263   8.84849      2.97081  8.84849      2.97081  8.84849      2.97081  2.4456   0.483531  ?        ?         
1 1 1 86 0  1  o 1.49365  0.643509  5.11174      1.96101  5.11174      1.96101  5.11174      1.96101  1.91865  0.411897  ?        ?         
1 1 1 86 0  2  o 0.729867 0.475224  1.26894      1.62314  1.26894      1.62314  1.26894      1.62314  0.745502 0.445015  ?        ?         
1 1 1 86 0  3  o 0.668036 0.438025  0.864959     1.40769  0.864959     1.40769  0.864959     1.40769  0.655205 0.402462  ?        ?         
1 1 1 86 0  4  o 0.646097 0.423329  0.74274      1.31201  0.74274      1.31201  0.74274      1.31201  0.625857 0.386508  ?        ?         
1 1 1 86 0  5  o 0.541995 0.379891  -0.2346      1.46391  -0.2346      1.46391  -0.2346      1.46391  0.473679 0.32918   ?        ?         
1 1 1 86 0  6  o 0.783804 0.475584  1.56861      1.35403  1.56861      1.35403  1.56861      1.35403  0.859113 0.441663  ?        ?         
1 1 1 86 0  7  o 2.44282  0.316079  7.50768      1.48632  7.50768      1.48632  7.50768      1.48632  2.59924  0.20511   ?        ?         
1 1 1 86 0  8  o 0.669402 0.443333  1.15466      1.48938  1.15466      1.48938  1.15466      1.48938  0.684728 0.41734   ?        ?         
1 1 1 86 0  9  o 0.735352 0.476432  1.72213      1.60593  1.72213      1.60593  1.72213      1.60593  0.8054   0.458507  ?        ?         
1 1 1 86 1  0  o 1.54376  0.632022  5.20102      1.9148   5.20102      1.9148   5.20102      1.9148   1.96069  0.388911  ?        ?         
1 1 1 86 1  1  o 0.761252 0.353862  0.533791     1.30056  2.55138      1.88992  -1.28111     1.79248  0.986243 0.446586  0.677344 0.336958  
1 1 1 86 1  2  o 0.735213 0.342213  0.399097     1.2215   -0.759119    1.70795  1.61179      1.74766  0.694499 0.342117  0.889144 0.412113  
1 1 1 86 1  3  o 1.11921  0.394258  2.36057      1.10009  2.48902      1.41621  2.16515      1.74681  1.04709  0.427261  0.94405  0.428315  
1 1 1 86 1  4  o 0.690141 0.323469  0.19339      1.1258   1.26341      1.67382  -0.69054     1.52132  0.83939  0.393601  0.666136 0.328119  
1 1 1 86 1  5  o 0.583971 0.284628  -0.647552    1.07619  -0.642375    1.57897  -0.652044    1.47071  0.664801 0.327836  0.650235 0.320266  
1 1 1 86 1  6  o 0.561155 0.274328  -0.664057    1.02456  -1.37149     1.36649  0.244255     1.54839  0.575515 0.287396  0.704589 0.343057  
1 1 1 86 1  7  o 0.769771 0.33853   1.04842      1.00563  0.967102     1.42599  1.12888      1.41839  0.748386 0.354576  0.764667 0.359297  
1 1 1 86 2  0  o 0.673104 0.459748  1.04199      1.83278  1.04199      1.83278  1.04199      1.83278  0.666324 0.430408  ?        ?         
1 1 1 86 2  1  o 0.895645 0.388818  1.74744      1.29238  1.57238      1.8434   1.91665      1.81241  0.834072 0.398216  0.865465 0.40651   
1 1 1 86 2  2  o 0.745211 0.347175  0.729967     1.26074  1.36769      1.85694  0.18464      1.71716  0.808971 0.389436  0.720589 0.35294   
1 1 1 86 2  3  o 0.570764 0.280393  -0.733418    1.09856  -0.508829    1.42717  -1.05998     1.72093  0.638002 0.314222  0.639556 0.319778  
1 1 1 86 2  4  f 0.646392 0.312077  0.0112451    1.21394  -1.01428     1.69943  1.07974      1.73467  0.630084 0.315042  0.757945 0.367233  
1 1 1 86 2  5  o 0.71693  0.335527  0.689346     1.19491  1.49077      1.64546  -0.204813    1.73806  0.79367  0.378284  0.675599 0.335496  
1 1 1 86 3  0  o 0.932758 0.565113  3.26409      1.9054   3.26409      1.9054   3.26409      1.9054   1.18811  0.53394   ?        ?         
1 1 1 87 0  0  f 1.33265  0.72612   6.77501      2.70309  6.77501      2.70309  6.77501      2.70309  1.94631  0.566297  ?        ?         
1 1 1 87 0  1  o 0.737745 0.491815  1.64083      1.88693  1.64083      1.88693  1.64083      1.88693  0.776553 0.471617  ?        ?         
1 1 1 87 0  2  o 0.666609 0.450402  1.04648      1.69319  1.04648      1.69319  1.04648      1.69319  0.664455 0.422817  ?        ?         
1 1 1 87 0  3  o 0.831167 0.521509  2.3539       1.75676  2.3539       1.75676  2.3539       1.75676  0.969127 0.501996  ?        ?         
1 1 1 87 0  4  o 0.709786 0.480309  1.67454      1.93609  1.67454      1.93609  1.67454      1.93609  0.748855 0.466043  ?        ?         
1 1 1 87 0  5  o 0.558848 0.390358  0.225033     1.51929  0.225033     1.51929  0.225033     1.51929  0.514503 0.351572  ?        ?         
1 1 1 87 1  0  o 0.807571 0.516904  2.37496      1.81244  2.37496      1.81244  2.37496      1.81244  0.939377 0.50338   ?        ?         
1 1 1 87 1  1  o 0.994647 0.409048  2.54925      1.30823  3.95978      1.89092  1.25424      1.81184  1.01695  0.454123  0.770529 0.373949  
# 
#END OF REFLECTIONS
